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 2c70_1_A DATA FIRST_RESID 3 DATA SEQUENCE NKCDVVVVGG GISGMAAAKL LHDSGLNVVV LEARDRVGGR TYTLRNQKVK DATA SEQUENCE YVDLGGSYVG PTQNRILRLA KELGLETYKV NEVERLIHHV KGKSYPFRGP DATA SEQUENCE FPPVWNPITY LDHNNFWRTM DDMGREIPSD APWKAPLAEE WDNMTMKELL DATA SEQUENCE DKLCWTESAK QLATLFVNLC VTAETHEVSA LWFLWYVKQC GGTTRIISTT DATA SEQUENCE NGGQERKFVG GSGQVSERIM DLLGDRVKLE RPVIYIDQTR ENVLVETLNH DATA SEQUENCE EMYEAKYVIS AIPPTLGMKI HFNPPLPMMR NQMITRVPLG SVIKCIVYYK DATA SEQUENCE EPFWRKKDYC GTMIIDGEEA PVAYTLDDTK PEGNYAAIMG FILAHKARKL DATA SEQUENCE ARLTKEERLK KLCELYAKVL GSLEALEPVH YEEKNWCEEQ YSGGCYTTYF DATA SEQUENCE PPGILTQYGR VLRQPVDRIY FAGTETATHW SGYMEGAVEA GERAAREILH DATA SEQUENCE AMGKIPEDEI WQSEPESVDV PAQPITTTFL ERHLPSVPGL LRLIGLTTI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 N HA 0.000 nan 4.740 nan 0.000 0.220 3 N C 0.000 175.519 175.510 0.016 0.000 1.280 3 N CA 0.000 52.959 53.050 -0.152 0.000 0.885 3 N CB 0.000 38.425 38.487 -0.104 0.000 1.341 4 K N 1.674 122.092 120.400 0.030 0.000 2.156 4 K HA 0.600 4.920 4.320 -0.000 0.000 0.271 4 K C 0.212 176.854 176.600 0.070 0.000 0.995 4 K CA -0.383 55.933 56.287 0.049 0.000 0.890 4 K CB 1.747 34.261 32.500 0.023 0.000 1.073 4 K HN 0.689 nan 8.250 nan 0.000 0.454 5 C N -1.197 118.148 119.300 0.074 0.000 3.314 5 C HA 0.402 4.862 4.460 -0.000 0.000 0.344 5 C C 0.667 175.696 174.990 0.065 0.000 1.461 5 C CA -0.760 58.301 59.018 0.072 0.000 1.249 5 C CB 0.905 28.698 27.740 0.088 0.000 1.632 5 C HN 0.783 nan 8.230 nan 0.000 0.452 6 D N 0.330 120.772 120.400 0.069 0.000 2.120 6 D HA 0.131 4.771 4.640 -0.000 0.000 0.202 6 D C 0.374 176.746 176.300 0.119 0.000 0.972 6 D CA 1.684 55.736 54.000 0.087 0.000 0.837 6 D CB 0.195 41.042 40.800 0.078 0.000 0.989 6 D HN 0.502 nan 8.370 nan 0.000 0.469 7 V N 1.443 121.412 119.914 0.093 0.000 2.623 7 V HA 0.242 4.362 4.120 -0.000 0.000 0.304 7 V C -0.142 175.982 176.094 0.051 0.000 1.054 7 V CA -0.856 61.499 62.300 0.091 0.000 0.882 7 V CB 2.771 34.631 31.823 0.063 0.000 1.002 7 V HN -0.243 nan 8.190 nan 0.000 0.424 8 V N 5.356 125.296 119.914 0.043 0.000 2.432 8 V HA 0.360 4.480 4.120 -0.000 0.000 0.275 8 V C -0.006 176.082 176.094 -0.011 0.000 1.043 8 V CA -0.319 61.977 62.300 -0.007 0.000 0.925 8 V CB 1.800 33.614 31.823 -0.015 0.000 0.985 8 V HN 0.642 nan 8.190 nan 0.000 0.466 9 V N 6.411 126.303 119.914 -0.036 0.000 2.350 9 V HA 0.310 4.430 4.120 -0.000 0.000 0.276 9 V C 0.022 176.091 176.094 -0.040 0.000 1.028 9 V CA -0.571 61.714 62.300 -0.025 0.000 0.860 9 V CB 1.696 33.507 31.823 -0.021 0.000 0.990 9 V HN 0.597 nan 8.190 nan 0.000 0.453 10 V N 4.647 124.551 119.914 -0.015 0.000 2.368 10 V HA 0.789 4.909 4.120 -0.000 0.000 0.266 10 V C 0.714 176.815 176.094 0.012 0.000 1.045 10 V CA 0.449 62.742 62.300 -0.012 0.000 0.899 10 V CB 0.431 32.266 31.823 0.019 0.000 1.006 10 V HN 1.260 nan 8.190 nan 0.000 0.470 11 G N 3.657 112.451 108.800 -0.010 0.000 3.367 11 G HA2 0.169 4.129 3.960 -0.000 0.000 0.686 11 G HA3 0.169 4.129 3.960 -0.000 0.000 0.686 11 G C 0.096 174.999 174.900 0.004 0.000 1.146 11 G CA -0.510 44.596 45.100 0.010 0.000 0.913 11 G HN 1.205 nan 8.290 nan 0.000 0.554 12 G N 0.786 109.585 108.800 -0.001 0.000 3.959 12 G HA2 0.667 4.627 3.960 -0.000 0.000 0.298 12 G HA3 0.667 4.627 3.960 -0.000 0.000 0.298 12 G C 0.896 175.811 174.900 0.025 0.000 1.211 12 G CA 0.927 46.027 45.100 0.000 0.000 1.001 12 G HN 1.272 nan 8.290 nan 0.000 0.561 13 G N -0.162 108.664 108.800 0.044 0.000 2.535 13 G HA2 0.356 4.316 3.960 -0.000 0.000 0.282 13 G HA3 0.356 4.316 3.960 -0.000 0.000 0.282 13 G C 1.157 176.085 174.900 0.046 0.000 1.350 13 G CA -0.767 44.369 45.100 0.060 0.000 1.039 13 G HN 0.124 nan 8.290 nan 0.000 0.509 14 I N -0.538 120.061 120.570 0.050 0.000 2.264 14 I HA -0.215 3.955 4.170 -0.000 0.000 0.248 14 I C 3.007 179.148 176.117 0.040 0.000 1.111 14 I CA 1.609 62.931 61.300 0.037 0.000 1.382 14 I CB -0.047 37.979 38.000 0.043 0.000 1.060 14 I HN 0.471 nan 8.210 nan 0.000 0.418 15 S N 0.467 116.203 115.700 0.060 0.000 2.355 15 S HA -0.112 4.358 4.470 -0.000 0.000 0.222 15 S C 2.111 176.738 174.600 0.046 0.000 1.031 15 S CA 1.560 59.799 58.200 0.065 0.000 0.993 15 S CB -0.564 62.694 63.200 0.096 0.000 0.859 15 S HN 0.561 nan 8.310 nan 0.000 0.453 16 G N 1.541 110.368 108.800 0.044 0.000 2.418 16 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.217 16 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.217 16 G C 1.451 176.355 174.900 0.006 0.000 1.158 16 G CA 0.951 46.066 45.100 0.025 0.000 0.771 16 G HN 0.401 nan 8.290 nan 0.000 0.545 17 M N 1.218 120.821 119.600 0.004 0.000 2.132 17 M HA 0.092 4.572 4.480 -0.000 0.000 0.263 17 M C 2.992 179.284 176.300 -0.013 0.000 1.065 17 M CA 1.163 56.455 55.300 -0.013 0.000 1.122 17 M CB -1.310 31.280 32.600 -0.017 0.000 1.365 17 M HN 0.311 nan 8.290 nan 0.000 0.411 18 A N 0.268 123.086 122.820 -0.002 0.000 1.933 18 A HA 0.017 4.337 4.320 -0.000 0.000 0.218 18 A C 2.456 180.037 177.584 -0.004 0.000 1.175 18 A CA 2.066 54.102 52.037 -0.002 0.000 0.628 18 A CB -0.850 18.154 19.000 0.008 0.000 0.814 18 A HN 0.467 nan 8.150 nan 0.000 0.444 19 A N -0.115 122.703 122.820 -0.004 0.000 1.873 19 A HA 0.187 4.507 4.320 -0.000 0.000 0.215 19 A C 2.527 180.104 177.584 -0.011 0.000 1.186 19 A CA 2.064 54.093 52.037 -0.014 0.000 0.616 19 A CB -1.071 17.923 19.000 -0.011 0.000 0.823 19 A HN 1.037 nan 8.150 nan 0.000 0.442 20 A N -0.124 122.691 122.820 -0.008 0.000 1.902 20 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 20 A C 2.141 179.737 177.584 0.020 0.000 1.181 20 A CA 2.097 54.133 52.037 -0.003 0.000 0.623 20 A CB -0.504 18.482 19.000 -0.023 0.000 0.818 20 A HN 0.575 nan 8.150 nan 0.000 0.443 21 K N -0.441 119.962 120.400 0.005 0.000 2.032 21 K HA -0.134 4.186 4.320 -0.000 0.000 0.209 21 K C 1.999 178.637 176.600 0.063 0.000 1.048 21 K CA 1.641 57.946 56.287 0.030 0.000 0.927 21 K CB -0.344 32.158 32.500 0.002 0.000 0.712 21 K HN 0.439 nan 8.250 nan 0.000 0.441 22 L N 1.111 122.348 121.223 0.024 0.000 2.017 22 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 22 L C 2.228 179.102 176.870 0.007 0.000 1.073 22 L CA 1.252 56.097 54.840 0.007 0.000 0.745 22 L CB -0.190 41.857 42.059 -0.019 0.000 0.894 22 L HN 0.269 nan 8.230 nan 0.000 0.432 23 L N -1.010 120.218 121.223 0.008 0.000 2.017 23 L HA -0.293 4.047 4.340 -0.000 0.000 0.208 23 L C 2.618 179.509 176.870 0.034 0.000 1.073 23 L CA 1.685 56.526 54.840 0.002 0.000 0.745 23 L CB -0.854 41.203 42.059 -0.004 0.000 0.894 23 L HN 0.438 nan 8.230 nan 0.000 0.432 24 H N 0.212 119.267 119.070 -0.025 0.000 2.321 24 H HA -0.195 4.361 4.556 -0.000 0.000 0.300 24 H C 1.802 177.120 175.328 -0.017 0.000 1.087 24 H CA 2.063 58.100 56.048 -0.017 0.000 1.319 24 H CB 0.003 29.755 29.762 -0.015 0.000 1.379 24 H HN 0.219 nan 8.280 nan 0.000 0.501 25 D N -0.523 119.880 120.400 0.004 0.000 2.218 25 D HA -0.097 4.543 4.640 -0.000 0.000 0.204 25 D C 1.832 178.084 176.300 -0.080 0.000 0.976 25 D CA 1.223 55.191 54.000 -0.053 0.000 0.853 25 D CB -0.221 40.588 40.800 0.015 0.000 0.939 25 D HN 0.324 nan 8.370 nan 0.000 0.481 26 S N -1.214 114.448 115.700 -0.063 0.000 2.603 26 S HA 0.253 4.723 4.470 -0.000 0.000 0.220 26 S C 1.583 176.138 174.600 -0.074 0.000 0.967 26 S CA 0.584 58.749 58.200 -0.060 0.000 0.920 26 S CB 0.606 63.777 63.200 -0.048 0.000 0.773 26 S HN 0.453 nan 8.310 nan 0.000 0.529 27 G N 0.944 109.676 108.800 -0.114 0.000 2.159 27 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.227 27 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.227 27 G C -0.012 174.844 174.900 -0.073 0.000 0.986 27 G CA -0.301 44.731 45.100 -0.113 0.000 0.651 27 G HN 0.418 nan 8.290 nan 0.000 0.523 28 L N 0.635 121.829 121.223 -0.049 0.000 2.421 28 L HA 0.406 4.746 4.340 -0.000 0.000 0.263 28 L C 0.198 177.081 176.870 0.020 0.000 1.122 28 L CA -0.986 53.849 54.840 -0.008 0.000 0.804 28 L CB 0.535 42.595 42.059 0.001 0.000 1.150 28 L HN 0.031 nan 8.230 nan 0.000 0.457 29 N N 1.994 120.718 118.700 0.039 0.000 2.406 29 N HA 0.272 5.012 4.740 -0.000 0.000 0.251 29 N C -0.650 174.901 175.510 0.069 0.000 1.069 29 N CA -0.115 52.974 53.050 0.064 0.000 0.947 29 N CB 1.715 40.235 38.487 0.055 0.000 1.111 29 N HN 0.357 nan 8.380 nan 0.000 0.497 30 V N 0.107 120.070 119.914 0.082 0.000 2.715 30 V HA 0.715 4.835 4.120 -0.000 0.000 0.310 30 V C -0.098 176.015 176.094 0.032 0.000 1.054 30 V CA -0.712 61.620 62.300 0.053 0.000 0.928 30 V CB 1.915 33.766 31.823 0.047 0.000 1.007 30 V HN 0.169 nan 8.190 nan 0.000 0.437 31 V N 3.909 123.824 119.914 0.002 0.000 2.604 31 V HA 0.561 4.681 4.120 -0.000 0.000 0.305 31 V C -0.298 175.740 176.094 -0.092 0.000 1.043 31 V CA -0.555 61.717 62.300 -0.046 0.000 0.888 31 V CB 2.085 33.873 31.823 -0.060 0.000 0.995 31 V HN 0.841 nan 8.190 nan 0.000 0.429 32 V N 5.972 125.823 119.914 -0.104 0.000 2.370 32 V HA 0.464 4.584 4.120 -0.000 0.000 0.283 32 V C -0.270 175.730 176.094 -0.156 0.000 1.023 32 V CA -0.449 61.786 62.300 -0.107 0.000 0.857 32 V CB 1.501 33.281 31.823 -0.072 0.000 0.985 32 V HN 0.614 nan 8.190 nan 0.000 0.443 33 L N 4.517 125.633 121.223 -0.177 0.000 2.276 33 L HA 0.613 4.953 4.340 -0.000 0.000 0.286 33 L C -0.201 176.590 176.870 -0.130 0.000 1.024 33 L CA -0.384 54.337 54.840 -0.200 0.000 0.826 33 L CB 1.404 43.302 42.059 -0.268 0.000 1.211 33 L HN 0.597 nan 8.230 nan 0.000 0.422 34 E N 2.265 122.393 120.200 -0.120 0.000 2.158 34 E HA 0.492 4.842 4.350 -0.000 0.000 0.271 34 E C 0.399 176.898 176.600 -0.168 0.000 0.911 34 E CA -0.297 56.035 56.400 -0.115 0.000 0.767 34 E CB 2.057 31.711 29.700 -0.078 0.000 1.120 34 E HN 0.556 nan 8.360 nan 0.000 0.405 35 A N 5.468 128.125 122.820 -0.272 0.000 1.902 35 A HA -0.065 4.255 4.320 -0.000 0.000 0.217 35 A C 1.089 178.444 177.584 -0.381 0.000 1.181 35 A CA 1.090 52.826 52.037 -0.502 0.000 0.623 35 A CB -0.189 18.108 19.000 -1.172 0.000 0.818 35 A HN 0.603 nan 8.150 nan 0.000 0.443 36 R N -0.193 120.162 120.500 -0.242 0.000 2.546 36 R HA 0.250 4.590 4.340 -0.000 0.000 0.266 36 R C 0.123 176.383 176.300 -0.067 0.000 1.086 36 R CA 0.118 56.151 56.100 -0.111 0.000 1.160 36 R CB 0.201 30.476 30.300 -0.043 0.000 1.138 36 R HN 0.457 nan 8.270 nan 0.000 0.567 37 D N 0.524 120.902 120.400 -0.036 0.000 2.332 37 D HA -0.042 4.598 4.640 -0.000 0.000 0.244 37 D C -0.159 176.140 176.300 -0.002 0.000 1.136 37 D CA 0.130 54.119 54.000 -0.019 0.000 0.884 37 D CB -0.086 40.709 40.800 -0.010 0.000 0.906 37 D HN 0.432 nan 8.370 nan 0.000 0.520 38 R N -1.436 119.064 120.500 -0.000 0.000 2.710 38 R HA 0.565 4.905 4.340 -0.000 0.000 0.270 38 R C -0.778 175.540 176.300 0.029 0.000 1.021 38 R CA -1.117 55.001 56.100 0.030 0.000 0.889 38 R CB 1.096 31.437 30.300 0.067 0.000 1.243 38 R HN -0.093 nan 8.270 nan 0.000 0.464 39 V N -1.452 118.488 119.914 0.043 0.000 3.234 39 V HA 0.872 4.992 4.120 -0.000 0.000 0.317 39 V C 0.943 177.090 176.094 0.089 0.000 1.081 39 V CA 0.438 62.764 62.300 0.044 0.000 1.037 39 V CB 0.814 32.648 31.823 0.019 0.000 1.148 39 V HN 1.209 nan 8.190 nan 0.000 0.453 40 G N -0.838 108.013 108.800 0.087 0.000 2.339 40 G HA2 0.139 4.099 3.960 -0.000 0.000 0.209 40 G HA3 0.139 4.099 3.960 -0.000 0.000 0.209 40 G C 1.637 176.624 174.900 0.145 0.000 1.015 40 G CA 0.778 45.950 45.100 0.119 0.000 0.635 40 G HN 2.625 nan 8.290 nan 0.000 0.499 41 G N 0.572 109.469 108.800 0.162 0.000 2.620 41 G HA2 -0.412 3.548 3.960 -0.000 0.000 0.315 41 G HA3 -0.412 3.548 3.960 -0.000 0.000 0.315 41 G C 0.959 176.015 174.900 0.261 0.000 1.179 41 G CA 1.500 46.712 45.100 0.187 0.000 0.971 41 G HN 1.188 nan 8.290 nan 0.000 0.544 42 R N 1.855 122.420 120.500 0.109 0.000 2.323 42 R HA 0.229 4.569 4.340 -0.000 0.000 0.198 42 R C 1.027 177.229 176.300 -0.164 0.000 0.988 42 R CA 1.024 57.018 56.100 -0.177 0.000 1.041 42 R CB -0.119 30.044 30.300 -0.228 0.000 0.926 42 R HN 0.703 nan 8.270 nan 0.000 0.476 43 T N -2.320 112.286 114.554 0.087 0.000 2.829 43 T HA 0.344 4.694 4.350 -0.000 0.000 0.282 43 T C -0.945 173.979 174.700 0.374 0.000 0.990 43 T CA -0.616 61.584 62.100 0.167 0.000 1.028 43 T CB 1.536 70.472 68.868 0.112 0.000 0.951 43 T HN 0.092 nan 8.240 nan 0.000 0.460 44 Y N 1.412 121.864 120.300 0.254 0.000 2.323 44 Y HA 0.426 4.976 4.550 -0.000 0.000 0.322 44 Y C -1.112 174.907 175.900 0.198 0.000 1.133 44 Y CA -0.881 57.371 58.100 0.253 0.000 1.093 44 Y CB 1.573 40.247 38.460 0.356 0.000 1.203 44 Y HN 0.865 nan 8.280 nan 0.000 0.427 45 T N 7.864 122.268 114.554 -0.250 0.000 2.753 45 T HA 0.369 4.719 4.350 -0.000 0.000 0.297 45 T C -0.722 173.658 174.700 -0.533 0.000 0.981 45 T CA -0.374 61.564 62.100 -0.271 0.000 0.956 45 T CB 0.403 69.227 68.868 -0.073 0.000 0.936 45 T HN 0.577 nan 8.240 nan 0.000 0.463 46 L N 4.626 125.538 121.223 -0.518 0.000 2.331 46 L HA 0.583 4.923 4.340 -0.000 0.000 0.278 46 L C -0.199 176.597 176.870 -0.122 0.000 1.106 46 L CA -0.024 54.595 54.840 -0.369 0.000 0.824 46 L CB 0.391 42.318 42.059 -0.219 0.000 1.142 46 L HN 0.446 nan 8.230 nan 0.000 0.443 47 R N 3.627 124.082 120.500 -0.076 0.000 2.437 47 R HA 0.615 4.955 4.340 -0.000 0.000 0.310 47 R C -1.006 175.274 176.300 -0.033 0.000 0.955 47 R CA -0.555 55.527 56.100 -0.031 0.000 0.851 47 R CB 1.289 31.582 30.300 -0.011 0.000 1.161 47 R HN 0.894 nan 8.270 nan 0.000 0.446 48 N N -1.137 117.528 118.700 -0.060 0.000 3.039 48 N HA 0.051 4.791 4.740 -0.000 0.000 0.257 48 N C -0.170 175.283 175.510 -0.094 0.000 1.497 48 N CA -0.951 52.061 53.050 -0.062 0.000 0.861 48 N CB 0.638 39.092 38.487 -0.055 0.000 1.479 48 N HN 0.303 nan 8.380 nan 0.000 0.547 49 Q N -0.381 119.371 119.800 -0.081 0.000 2.230 49 Q HA 0.039 4.379 4.340 -0.000 0.000 0.202 49 Q C 0.495 176.451 176.000 -0.073 0.000 0.963 49 Q CA 1.155 56.925 55.803 -0.055 0.000 0.866 49 Q CB 0.062 28.780 28.738 -0.033 0.000 0.931 49 Q HN 0.525 nan 8.270 nan 0.000 0.452 50 K N 0.236 120.503 120.400 -0.223 0.000 2.155 50 K HA -0.061 4.259 4.320 -0.000 0.000 0.203 50 K C 2.022 178.406 176.600 -0.360 0.000 1.052 50 K CA 1.406 57.457 56.287 -0.394 0.000 0.948 50 K CB 0.036 31.965 32.500 -0.953 0.000 0.728 50 K HN 0.318 nan 8.250 nan 0.000 0.448 51 V N -2.851 116.814 119.914 -0.416 0.000 3.645 51 V HA 0.222 4.342 4.120 -0.000 0.000 0.275 51 V C 1.421 177.118 176.094 -0.660 0.000 1.356 51 V CA 0.700 62.704 62.300 -0.492 0.000 1.051 51 V CB 0.189 31.763 31.823 -0.414 0.000 0.828 51 V HN 0.279 nan 8.190 nan 0.000 0.441 52 K N 0.456 120.547 120.400 -0.514 0.000 10.669 52 K HA -0.298 4.022 4.320 -0.000 0.000 0.523 52 K C 0.133 176.636 176.600 -0.162 0.000 0.380 52 K CA 2.400 58.429 56.287 -0.429 0.000 1.946 52 K CB -1.454 30.570 32.500 -0.794 0.000 0.755 52 K HN 0.954 nan 8.250 nan 0.000 1.190 53 Y N -1.981 118.171 120.300 -0.248 0.000 2.571 53 Y HA 0.730 5.280 4.550 -0.000 0.000 0.341 53 Y C -1.286 174.569 175.900 -0.074 0.000 1.076 53 Y CA -0.713 57.304 58.100 -0.139 0.000 1.029 53 Y CB 2.030 40.427 38.460 -0.106 0.000 1.308 53 Y HN 0.018 nan 8.280 nan 0.000 0.461 54 V N 2.325 122.287 119.914 0.080 0.000 2.817 54 V HA 0.353 4.473 4.120 -0.000 0.000 0.303 54 V C -1.618 174.531 176.094 0.093 0.000 1.151 54 V CA -0.660 61.690 62.300 0.084 0.000 0.929 54 V CB 1.958 33.852 31.823 0.120 0.000 1.030 54 V HN 0.921 nan 8.190 nan 0.000 0.427 55 D N 5.821 126.290 120.400 0.115 0.000 2.339 55 D HA 0.273 4.913 4.640 -0.000 0.000 0.256 55 D C 0.859 177.241 176.300 0.138 0.000 1.214 55 D CA 0.226 54.283 54.000 0.094 0.000 0.877 55 D CB 1.829 42.659 40.800 0.051 0.000 1.111 55 D HN 0.511 nan 8.370 nan 0.000 0.478 56 L N 1.426 122.785 121.223 0.226 0.000 2.554 56 L HA 0.213 4.553 4.340 -0.000 0.000 0.225 56 L C 1.491 178.761 176.870 0.667 0.000 1.104 56 L CA 0.067 55.144 54.840 0.395 0.000 0.866 56 L CB 0.338 42.648 42.059 0.418 0.000 1.047 56 L HN 0.337 nan 8.230 nan 0.000 0.468 57 G N -0.799 108.308 108.800 0.512 0.000 3.234 57 G HA2 0.439 4.399 3.960 -0.000 0.000 0.159 57 G HA3 0.439 4.399 3.960 -0.000 0.000 0.159 57 G C -0.192 174.728 174.900 0.034 0.000 1.175 57 G CA -0.061 45.147 45.100 0.179 0.000 0.900 57 G HN 0.070 nan 8.290 nan 0.000 0.621 58 G N -0.803 107.949 108.800 -0.080 0.000 2.391 58 G HA2 0.372 4.332 3.960 -0.000 0.000 0.234 58 G HA3 0.372 4.332 3.960 -0.000 0.000 0.234 58 G C 0.505 175.374 174.900 -0.051 0.000 1.284 58 G CA 0.976 46.035 45.100 -0.069 0.000 0.873 58 G HN 0.883 nan 8.290 nan 0.000 0.549 59 S N 0.950 116.557 115.700 -0.154 0.000 3.640 59 S HA 0.176 4.646 4.470 -0.000 0.000 0.246 59 S C 0.016 174.360 174.600 -0.428 0.000 1.133 59 S CA -0.336 57.670 58.200 -0.323 0.000 0.882 59 S CB -0.134 62.700 63.200 -0.609 0.000 1.015 59 S HN 0.488 nan 8.310 nan 0.000 0.469 60 Y N 3.030 123.290 120.300 -0.067 0.000 2.319 60 Y HA 0.521 5.071 4.550 -0.000 0.000 0.328 60 Y C 0.319 176.089 175.900 -0.217 0.000 1.133 60 Y CA -0.389 57.620 58.100 -0.151 0.000 1.265 60 Y CB 1.053 39.467 38.460 -0.077 0.000 1.218 60 Y HN 0.143 nan 8.280 nan 0.000 0.508 61 V N -0.107 119.682 119.914 -0.209 0.000 3.001 61 V HA 1.103 5.223 4.120 -0.000 0.000 0.314 61 V C -0.270 175.636 176.094 -0.314 0.000 1.099 61 V CA -0.521 61.584 62.300 -0.325 0.000 0.989 61 V CB 1.688 33.247 31.823 -0.439 0.000 1.040 61 V HN 0.931 nan 8.190 nan 0.000 0.434 62 G N 0.552 109.119 108.800 -0.387 0.000 2.645 62 G HA2 0.726 4.686 3.960 -0.000 0.000 0.292 62 G HA3 0.726 4.686 3.960 -0.000 0.000 0.292 62 G C -3.404 171.334 174.900 -0.270 0.000 1.415 62 G CA -1.264 43.660 45.100 -0.294 0.000 0.785 62 G HN 0.723 nan 8.290 nan 0.000 0.483 63 P HA 0.094 nan 4.420 nan 0.000 0.265 63 P C 0.785 178.069 177.300 -0.028 0.000 1.187 63 P CA 1.970 65.026 63.100 -0.073 0.000 0.766 63 P CB 0.870 32.555 31.700 -0.026 0.000 0.820 64 T N -1.419 113.149 114.554 0.023 0.000 6.424 64 T HA -0.249 4.101 4.350 -0.000 0.000 0.279 64 T C 0.268 174.998 174.700 0.050 0.000 2.176 64 T CA 1.009 63.201 62.100 0.153 0.000 3.628 64 T CB -2.679 66.405 68.868 0.360 0.000 1.165 64 T HN 0.586 nan 8.240 nan 0.000 1.080 65 Q N 1.320 120.966 119.800 -0.257 0.000 3.207 65 Q HA 0.371 4.711 4.340 -0.000 0.000 0.335 65 Q C 0.932 176.833 176.000 -0.166 0.000 1.374 65 Q CA -0.475 55.073 55.803 -0.426 0.000 1.023 65 Q CB 0.201 28.497 28.738 -0.736 0.000 1.576 65 Q HN 0.492 nan 8.270 nan 0.000 0.515 66 N N 0.865 119.542 118.700 -0.037 0.000 2.331 66 N HA -0.077 4.663 4.740 -0.000 0.000 0.180 66 N C 1.260 176.780 175.510 0.016 0.000 1.019 66 N CA 0.860 53.913 53.050 0.005 0.000 0.881 66 N CB 0.250 38.764 38.487 0.046 0.000 0.972 66 N HN 0.381 nan 8.380 nan 0.000 0.435 67 R N 0.532 121.046 120.500 0.025 0.000 2.066 67 R HA 0.001 4.341 4.340 -0.000 0.000 0.232 67 R C 2.071 178.387 176.300 0.027 0.000 1.131 67 R CA 0.754 56.875 56.100 0.034 0.000 0.955 67 R CB -0.390 29.943 30.300 0.054 0.000 0.851 67 R HN 0.096 nan 8.270 nan 0.000 0.432 68 I N 1.227 121.808 120.570 0.018 0.000 2.361 68 I HA -0.196 3.974 4.170 -0.000 0.000 0.251 68 I C 1.797 177.980 176.117 0.110 0.000 1.133 68 I CA 1.375 62.710 61.300 0.058 0.000 1.413 68 I CB -0.048 37.995 38.000 0.072 0.000 1.073 68 I HN 0.107 nan 8.210 nan 0.000 0.424 69 L N 0.151 121.421 121.223 0.078 0.000 2.056 69 L HA -0.167 4.173 4.340 -0.000 0.000 0.207 69 L C 2.753 179.667 176.870 0.074 0.000 1.078 69 L CA 1.339 56.241 54.840 0.104 0.000 0.749 69 L CB -0.837 41.240 42.059 0.030 0.000 0.901 69 L HN 0.255 nan 8.230 nan 0.000 0.433 70 R N 0.720 121.244 120.500 0.040 0.000 2.075 70 R HA -0.180 4.160 4.340 -0.000 0.000 0.232 70 R C 2.288 178.594 176.300 0.011 0.000 1.126 70 R CA 1.612 57.727 56.100 0.026 0.000 0.963 70 R CB -0.617 29.696 30.300 0.023 0.000 0.858 70 R HN 0.246 nan 8.270 nan 0.000 0.435 71 L N 1.161 122.387 121.223 0.005 0.000 2.017 71 L HA -0.052 4.288 4.340 -0.000 0.000 0.208 71 L C 2.421 179.255 176.870 -0.060 0.000 1.073 71 L CA 2.343 57.170 54.840 -0.022 0.000 0.745 71 L CB -0.889 41.157 42.059 -0.021 0.000 0.894 71 L HN 0.234 nan 8.230 nan 0.000 0.432 72 A N -0.673 122.098 122.820 -0.083 0.000 1.902 72 A HA -0.250 4.070 4.320 -0.000 0.000 0.217 72 A C 2.467 179.990 177.584 -0.102 0.000 1.181 72 A CA 1.922 53.836 52.037 -0.205 0.000 0.623 72 A CB -0.640 18.123 19.000 -0.394 0.000 0.818 72 A HN 0.516 nan 8.150 nan 0.000 0.443 73 K N -0.258 120.135 120.400 -0.012 0.000 2.057 73 K HA -0.199 4.121 4.320 -0.000 0.000 0.207 73 K C 2.047 178.638 176.600 -0.014 0.000 1.049 73 K CA 1.652 57.942 56.287 0.007 0.000 0.931 73 K CB -0.190 32.328 32.500 0.030 0.000 0.714 73 K HN 0.611 nan 8.250 nan 0.000 0.440 74 E N 0.513 120.702 120.200 -0.018 0.000 2.153 74 E HA -0.167 4.183 4.350 -0.000 0.000 0.194 74 E C 1.667 178.248 176.600 -0.032 0.000 0.988 74 E CA 0.815 57.204 56.400 -0.019 0.000 0.811 74 E CB 0.026 29.718 29.700 -0.014 0.000 0.746 74 E HN 0.360 nan 8.360 nan 0.000 0.466 75 L N -0.713 120.477 121.223 -0.056 0.000 2.599 75 L HA 0.141 4.481 4.340 -0.000 0.000 0.230 75 L C 1.378 178.207 176.870 -0.069 0.000 1.141 75 L CA 0.483 55.281 54.840 -0.071 0.000 0.877 75 L CB 0.196 42.190 42.059 -0.107 0.000 1.009 75 L HN 0.363 nan 8.230 nan 0.000 0.447 76 G N 0.145 108.913 108.800 -0.053 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 0.071 174.945 174.900 -0.042 0.000 0.990 76 G CA -0.321 44.755 45.100 -0.039 0.000 0.671 76 G HN 0.193 nan 8.290 nan 0.000 0.521 77 L N -0.231 120.955 121.223 -0.062 0.000 2.399 77 L HA 0.769 5.109 4.340 -0.000 0.000 0.265 77 L C 0.601 177.506 176.870 0.059 0.000 1.089 77 L CA -0.774 54.037 54.840 -0.049 0.000 0.802 77 L CB 1.122 43.056 42.059 -0.208 0.000 1.180 77 L HN 0.165 nan 8.230 nan 0.000 0.454 78 E N -0.250 120.029 120.200 0.131 0.000 2.312 78 E HA 0.428 4.778 4.350 -0.000 0.000 0.267 78 E C -1.038 175.721 176.600 0.265 0.000 0.894 78 E CA -0.685 55.817 56.400 0.169 0.000 0.773 78 E CB 2.557 32.325 29.700 0.114 0.000 1.241 78 E HN 0.668 nan 8.360 nan 0.000 0.432 79 T N -1.185 113.475 114.554 0.177 0.000 2.952 79 T HA 0.624 4.974 4.350 -0.000 0.000 0.286 79 T C -0.699 174.084 174.700 0.138 0.000 1.024 79 T CA -0.638 61.498 62.100 0.059 0.000 1.029 79 T CB 0.682 69.469 68.868 -0.134 0.000 1.094 79 T HN 0.518 nan 8.240 nan 0.000 0.515 80 Y N -1.291 119.005 120.300 -0.007 0.000 2.581 80 Y HA 0.716 5.266 4.550 -0.000 0.000 0.345 80 Y C -0.732 175.168 175.900 0.001 0.000 1.036 80 Y CA -1.539 56.569 58.100 0.013 0.000 1.042 80 Y CB 1.425 39.913 38.460 0.048 0.000 1.289 80 Y HN 0.626 nan 8.280 nan 0.000 0.471 81 K N 2.393 122.841 120.400 0.080 0.000 2.297 81 K HA 0.393 4.713 4.320 -0.000 0.000 0.286 81 K C -0.776 175.847 176.600 0.038 0.000 1.053 81 K CA -0.712 55.570 56.287 -0.009 0.000 0.940 81 K CB 1.522 34.046 32.500 0.040 0.000 1.019 81 K HN 0.583 nan 8.250 nan 0.000 0.475 82 V N 3.362 123.239 119.914 -0.061 0.000 2.694 82 V HA -0.126 3.994 4.120 -0.000 0.000 0.306 82 V C 0.642 176.771 176.094 0.057 0.000 1.054 82 V CA -0.068 62.248 62.300 0.027 0.000 1.161 82 V CB 0.146 31.963 31.823 -0.011 0.000 0.916 82 V HN 0.735 nan 8.190 nan 0.000 0.490 83 N N 3.926 122.688 118.700 0.103 0.000 2.434 83 N HA -0.005 4.735 4.740 -0.000 0.000 0.268 83 N C 0.318 175.845 175.510 0.028 0.000 1.256 83 N CA 0.565 53.665 53.050 0.084 0.000 0.914 83 N CB 0.218 38.783 38.487 0.129 0.000 1.088 83 N HN 0.828 nan 8.380 nan 0.000 0.478 84 E N 2.872 123.079 120.200 0.012 0.000 3.029 84 E HA 0.109 4.459 4.350 -0.000 0.000 0.196 84 E C 0.357 176.951 176.600 -0.009 0.000 0.973 84 E CA -0.066 56.323 56.400 -0.019 0.000 1.242 84 E CB 0.265 29.940 29.700 -0.043 0.000 1.056 84 E HN 0.439 nan 8.360 nan 0.000 0.469 85 V N 0.538 120.459 119.914 0.012 0.000 2.270 85 V HA -0.167 3.953 4.120 -0.000 0.000 0.245 85 V C 0.984 177.083 176.094 0.007 0.000 1.043 85 V CA 1.636 63.942 62.300 0.011 0.000 1.014 85 V CB -0.156 31.677 31.823 0.016 0.000 0.645 85 V HN 0.257 nan 8.190 nan 0.000 0.447 86 E N -0.615 119.597 120.200 0.020 0.000 3.188 86 E HA 0.372 4.722 4.350 -0.000 0.000 0.262 86 E C 0.235 176.843 176.600 0.013 0.000 1.341 86 E CA -0.604 55.811 56.400 0.025 0.000 1.140 86 E CB 0.188 29.916 29.700 0.047 0.000 1.306 86 E HN 0.304 nan 8.360 nan 0.000 0.694 87 R N 0.224 120.753 120.500 0.049 0.000 2.490 87 R HA 0.275 4.615 4.340 -0.000 0.000 0.280 87 R C -0.497 175.760 176.300 -0.072 0.000 1.077 87 R CA -0.572 55.533 56.100 0.009 0.000 1.065 87 R CB 0.131 30.502 30.300 0.117 0.000 1.003 87 R HN 0.169 nan 8.270 nan 0.000 0.470 88 L N 2.817 123.817 121.223 -0.371 0.000 2.466 88 L HA 0.342 4.682 4.340 -0.000 0.000 0.257 88 L C 0.250 176.883 176.870 -0.396 0.000 1.189 88 L CA 0.323 54.834 54.840 -0.548 0.000 0.813 88 L CB 0.369 41.768 42.059 -1.100 0.000 1.118 88 L HN 0.470 nan 8.230 nan 0.000 0.471 89 I N 0.353 120.848 120.570 -0.126 0.000 2.498 89 I HA 0.270 4.440 4.170 -0.000 0.000 0.290 89 I C -0.603 175.823 176.117 0.514 0.000 1.032 89 I CA -0.491 60.906 61.300 0.162 0.000 1.073 89 I CB 1.587 39.530 38.000 -0.095 0.000 1.251 89 I HN 0.549 nan 8.210 nan 0.000 0.426 90 H N 5.475 124.887 119.070 0.571 0.000 2.541 90 H HA 0.322 4.878 4.556 -0.000 0.000 0.316 90 H C -1.349 174.233 175.328 0.424 0.000 1.043 90 H CA -0.694 55.626 56.048 0.453 0.000 1.232 90 H CB 0.920 30.856 29.762 0.290 0.000 1.406 90 H HN 0.620 nan 8.280 nan 0.000 0.469 91 H N 4.545 123.720 119.070 0.175 0.000 2.541 91 H HA 0.385 4.941 4.556 -0.000 0.000 0.316 91 H C -1.414 173.895 175.328 -0.032 0.000 1.043 91 H CA -0.494 55.599 56.048 0.075 0.000 1.232 91 H CB 0.956 30.769 29.762 0.085 0.000 1.406 91 H HN 0.356 nan 8.280 nan 0.000 0.469 92 V N 5.759 125.518 119.914 -0.258 0.000 2.733 92 V HA 0.287 4.407 4.120 -0.000 0.000 0.306 92 V C -0.651 175.366 176.094 -0.128 0.000 1.084 92 V CA -0.866 61.324 62.300 -0.183 0.000 0.905 92 V CB 1.336 32.974 31.823 -0.307 0.000 1.010 92 V HN 1.072 nan 8.190 nan 0.000 0.424 93 K N 4.966 125.325 120.400 -0.068 0.000 3.156 93 K HA -0.207 4.113 4.320 -0.000 0.000 0.266 93 K C 0.975 177.527 176.600 -0.080 0.000 0.966 93 K CA 0.875 57.143 56.287 -0.032 0.000 0.719 93 K CB -1.594 30.909 32.500 0.005 0.000 1.333 93 K HN 2.069 nan 8.250 nan 0.000 0.468 94 G N 0.020 108.721 108.800 -0.165 0.000 2.162 94 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.260 94 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.260 94 G C -0.072 174.663 174.900 -0.275 0.000 0.976 94 G CA 0.983 46.016 45.100 -0.112 0.000 0.655 94 G HN 0.457 nan 8.290 nan 0.000 0.533 95 K N 0.071 120.137 120.400 -0.557 0.000 2.426 95 K HA 0.649 4.969 4.320 -0.000 0.000 0.251 95 K C -0.503 175.786 176.600 -0.518 0.000 0.941 95 K CA -0.502 55.535 56.287 -0.417 0.000 0.808 95 K CB 1.425 33.731 32.500 -0.322 0.000 1.265 95 K HN 0.052 nan 8.250 nan 0.000 0.432 96 S N 2.133 117.661 115.700 -0.286 0.000 2.489 96 S HA 0.424 4.894 4.470 -0.000 0.000 0.291 96 S C -1.468 172.929 174.600 -0.338 0.000 1.151 96 S CA -0.433 57.714 58.200 -0.087 0.000 1.082 96 S CB 0.367 63.621 63.200 0.089 0.000 1.019 96 S HN 0.411 nan 8.310 nan 0.000 0.492 97 Y N 2.261 122.663 120.300 0.169 0.000 2.363 97 Y HA 0.371 4.921 4.550 -0.000 0.000 0.325 97 Y C -2.533 173.585 175.900 0.362 0.000 0.984 97 Y CA -2.448 55.792 58.100 0.233 0.000 1.248 97 Y CB 0.829 39.420 38.460 0.218 0.000 1.116 97 Y HN 0.447 nan 8.280 nan 0.000 0.470 98 P HA 0.284 nan 4.420 nan 0.000 0.272 98 P C -0.855 176.751 177.300 0.510 0.000 1.223 98 P CA -0.036 63.305 63.100 0.402 0.000 0.784 98 P CB 0.657 32.581 31.700 0.373 0.000 0.923 99 F N -1.450 118.630 119.950 0.217 0.000 2.817 99 F HA 0.684 5.211 4.527 -0.000 0.000 0.317 99 F C -1.251 174.630 175.800 0.136 0.000 1.168 99 F CA -1.298 56.813 58.000 0.185 0.000 0.911 99 F CB 1.383 40.496 39.000 0.189 0.000 1.337 99 F HN 0.042 nan 8.300 nan 0.000 0.464 100 R N 0.927 121.563 120.500 0.227 0.000 2.807 100 R HA 0.774 5.114 4.340 -0.000 0.000 0.276 100 R C -0.414 176.020 176.300 0.223 0.000 0.979 100 R CA -0.783 55.367 56.100 0.083 0.000 0.928 100 R CB 1.807 32.157 30.300 0.083 0.000 1.191 100 R HN 1.515 nan 8.270 nan 0.000 0.471 101 G N 1.713 110.584 108.800 0.118 0.000 2.712 101 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.683 101 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.683 101 G C -2.119 172.885 174.900 0.174 0.000 1.320 101 G CA -0.799 44.386 45.100 0.143 0.000 0.847 101 G HN 0.441 nan 8.290 nan 0.000 0.553 102 P HA 0.118 nan 4.420 nan 0.000 0.218 102 P C 0.573 177.743 177.300 -0.218 0.000 1.152 102 P CA 1.022 64.029 63.100 -0.155 0.000 0.826 102 P CB 0.104 31.545 31.700 -0.431 0.000 0.790 103 F N 1.200 121.125 119.950 -0.042 0.000 2.420 103 F HA 0.406 4.933 4.527 -0.000 0.000 0.342 103 F C -1.982 173.601 175.800 -0.362 0.000 1.113 103 F CA -2.951 54.911 58.000 -0.231 0.000 1.059 103 F CB 0.359 39.137 39.000 -0.369 0.000 1.128 103 F HN -0.260 nan 8.300 nan 0.000 0.475 104 P HA 0.088 nan 4.420 nan 0.000 0.266 104 P C -2.364 174.633 177.300 -0.505 0.000 1.215 104 P CA -0.851 61.559 63.100 -1.151 0.000 0.763 104 P CB -0.138 30.965 31.700 -0.995 0.000 0.806 105 P HA 0.143 nan 4.420 nan 0.000 0.272 105 P C -0.851 176.293 177.300 -0.260 0.000 1.240 105 P CA 0.029 62.974 63.100 -0.259 0.000 0.791 105 P CB 0.768 32.354 31.700 -0.191 0.000 0.978 106 V N 1.053 120.771 119.914 -0.327 0.000 2.686 106 V HA 0.195 4.315 4.120 -0.000 0.000 0.306 106 V C -0.072 175.869 176.094 -0.255 0.000 1.065 106 V CA -0.208 61.938 62.300 -0.256 0.000 0.894 106 V CB 1.941 33.522 31.823 -0.405 0.000 1.004 106 V HN 0.677 nan 8.190 nan 0.000 0.424 107 W N 0.915 122.199 121.300 -0.027 0.000 2.699 107 W HA 0.223 4.883 4.660 -0.000 0.000 0.265 107 W C 1.350 177.863 176.519 -0.009 0.000 1.210 107 W CA -0.080 57.254 57.345 -0.018 0.000 1.414 107 W CB 0.255 29.699 29.460 -0.028 0.000 1.043 107 W HN 0.523 nan 8.180 nan 0.000 0.599 108 N N 3.089 121.913 118.700 0.206 0.000 2.434 108 N HA -0.044 4.696 4.740 -0.000 0.000 0.268 108 N C -1.473 174.112 175.510 0.126 0.000 1.256 108 N CA -0.487 52.645 53.050 0.138 0.000 0.914 108 N CB 1.240 39.789 38.487 0.104 0.000 1.088 108 N HN -0.091 nan 8.380 nan 0.000 0.478 109 P HA -0.150 nan 4.420 nan 0.000 0.218 109 P C 1.639 179.015 177.300 0.127 0.000 1.148 109 P CA 0.795 63.947 63.100 0.087 0.000 0.822 109 P CB 0.383 32.102 31.700 0.030 0.000 0.784 110 I N 0.064 120.692 120.570 0.096 0.000 2.163 110 I HA -0.157 4.013 4.170 -0.000 0.000 0.240 110 I C 2.155 178.338 176.117 0.110 0.000 1.081 110 I CA 1.794 63.144 61.300 0.084 0.000 1.353 110 I CB -2.100 35.943 38.000 0.071 0.000 1.054 110 I HN 0.021 nan 8.210 nan 0.000 0.407 111 T N 0.335 114.964 114.554 0.125 0.000 2.759 111 T HA -0.246 4.104 4.350 -0.000 0.000 0.269 111 T C 1.867 176.656 174.700 0.148 0.000 1.042 111 T CA 1.414 63.606 62.100 0.154 0.000 1.140 111 T CB -0.592 68.341 68.868 0.110 0.000 0.864 111 T HN 0.309 nan 8.240 nan 0.000 0.455 112 Y N 1.719 122.015 120.300 -0.007 0.000 2.145 112 Y HA -0.067 4.483 4.550 -0.000 0.000 0.286 112 Y C 2.021 177.926 175.900 0.008 0.000 1.145 112 Y CA 1.097 59.169 58.100 -0.047 0.000 1.148 112 Y CB -0.445 37.961 38.460 -0.091 0.000 0.981 112 Y HN 0.113 nan 8.280 nan 0.000 0.507 113 L N -0.220 121.087 121.223 0.139 0.000 2.046 113 L HA -0.227 4.113 4.340 -0.000 0.000 0.208 113 L C 2.153 179.006 176.870 -0.030 0.000 1.077 113 L CA 1.805 56.669 54.840 0.039 0.000 0.747 113 L CB -0.641 41.443 42.059 0.041 0.000 0.896 113 L HN 0.232 nan 8.230 nan 0.000 0.432 114 D N -0.854 119.561 120.400 0.025 0.000 2.097 114 D HA -0.193 4.447 4.640 -0.000 0.000 0.197 114 D C 2.191 178.499 176.300 0.014 0.000 0.984 114 D CA 1.256 55.276 54.000 0.034 0.000 0.826 114 D CB 0.037 40.892 40.800 0.093 0.000 0.973 114 D HN 0.290 nan 8.370 nan 0.000 0.460 115 H N -0.152 118.860 119.070 -0.097 0.000 2.319 115 H HA -0.125 4.431 4.556 -0.000 0.000 0.299 115 H C 2.166 177.461 175.328 -0.056 0.000 1.092 115 H CA 1.244 57.245 56.048 -0.078 0.000 1.302 115 H CB -0.211 29.508 29.762 -0.071 0.000 1.373 115 H HN 0.289 nan 8.280 nan 0.000 0.497 116 N N 1.094 119.721 118.700 -0.122 0.000 2.069 116 N HA -0.189 4.551 4.740 -0.000 0.000 0.191 116 N C 1.839 177.289 175.510 -0.100 0.000 1.031 116 N CA 1.015 53.947 53.050 -0.196 0.000 0.852 116 N CB -0.230 38.046 38.487 -0.352 0.000 1.018 116 N HN 0.410 nan 8.380 nan 0.000 0.423 117 N N -0.116 118.533 118.700 -0.085 0.000 2.188 117 N HA -0.180 4.560 4.740 -0.000 0.000 0.184 117 N C 1.900 177.365 175.510 -0.075 0.000 1.018 117 N CA 0.699 53.703 53.050 -0.077 0.000 0.858 117 N CB -0.276 38.174 38.487 -0.061 0.000 0.989 117 N HN 0.229 nan 8.380 nan 0.000 0.426 118 F N 0.858 120.676 119.950 -0.220 0.000 2.046 118 F HA -0.158 4.369 4.527 -0.000 0.000 0.297 118 F C 1.783 177.405 175.800 -0.296 0.000 1.123 118 F CA 1.766 59.566 58.000 -0.333 0.000 1.199 118 F CB -1.009 37.643 39.000 -0.580 0.000 0.972 118 F HN 0.072 nan 8.300 nan 0.000 0.474 119 W N 0.583 121.584 121.300 -0.497 0.000 2.358 119 W HA -0.109 4.551 4.660 -0.000 0.000 0.303 119 W C 2.854 179.105 176.519 -0.447 0.000 1.208 119 W CA 1.510 58.500 57.345 -0.592 0.000 1.274 119 W CB -0.695 28.532 29.460 -0.388 0.000 1.138 119 W HN -0.051 nan 8.180 nan 0.000 0.515 120 R N 0.105 120.534 120.500 -0.118 0.000 2.083 120 R HA -0.169 4.171 4.340 -0.000 0.000 0.237 120 R C 1.946 178.146 176.300 -0.168 0.000 1.137 120 R CA 2.268 58.282 56.100 -0.143 0.000 0.951 120 R CB -0.675 29.539 30.300 -0.143 0.000 0.851 120 R HN 0.057 nan 8.270 nan 0.000 0.434 121 T N 1.168 115.599 114.554 -0.205 0.000 2.777 121 T HA -0.112 4.238 4.350 -0.000 0.000 0.266 121 T C 1.833 176.391 174.700 -0.237 0.000 1.040 121 T CA 1.302 63.287 62.100 -0.192 0.000 1.141 121 T CB -0.052 68.722 68.868 -0.156 0.000 0.868 121 T HN 0.158 nan 8.240 nan 0.000 0.444 122 M N 1.734 121.126 119.600 -0.347 0.000 2.082 122 M HA -0.129 4.351 4.480 -0.000 0.000 0.258 122 M C 1.835 178.029 176.300 -0.176 0.000 1.069 122 M CA 1.591 56.724 55.300 -0.278 0.000 1.102 122 M CB -1.138 31.267 32.600 -0.325 0.000 1.336 122 M HN 0.195 nan 8.290 nan 0.000 0.404 123 D N 0.265 120.574 120.400 -0.152 0.000 2.149 123 D HA -0.110 4.530 4.640 -0.000 0.000 0.201 123 D C 1.614 177.854 176.300 -0.100 0.000 0.972 123 D CA 0.944 54.874 54.000 -0.116 0.000 0.835 123 D CB -0.288 40.451 40.800 -0.102 0.000 0.966 123 D HN 0.293 nan 8.370 nan 0.000 0.476 124 D N 0.424 120.763 120.400 -0.102 0.000 2.104 124 D HA -0.120 4.520 4.640 -0.000 0.000 0.194 124 D C 2.204 178.491 176.300 -0.021 0.000 0.994 124 D CA 0.838 54.800 54.000 -0.063 0.000 0.830 124 D CB -0.239 40.522 40.800 -0.064 0.000 0.959 124 D HN 0.229 nan 8.370 nan 0.000 0.452 125 M N 0.136 119.693 119.600 -0.072 0.000 2.117 125 M HA -0.047 4.433 4.480 -0.000 0.000 0.262 125 M C 2.344 178.676 176.300 0.053 0.000 1.065 125 M CA 1.626 56.886 55.300 -0.067 0.000 1.114 125 M CB -0.464 31.849 32.600 -0.480 0.000 1.361 125 M HN 0.036 nan 8.290 nan 0.000 0.408 126 G N 0.212 108.991 108.800 -0.035 0.000 2.442 126 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.219 126 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.219 126 G C 1.622 176.523 174.900 0.002 0.000 1.141 126 G CA 0.694 45.781 45.100 -0.022 0.000 0.763 126 G HN 0.403 nan 8.290 nan 0.000 0.554 127 R N 0.071 120.567 120.500 -0.007 0.000 2.193 127 R HA -0.014 4.326 4.340 -0.000 0.000 0.229 127 R C 1.791 178.100 176.300 0.015 0.000 1.110 127 R CA 0.857 56.947 56.100 -0.016 0.000 0.988 127 R CB 0.031 30.315 30.300 -0.026 0.000 0.871 127 R HN 0.262 nan 8.270 nan 0.000 0.458 128 E N 0.208 120.459 120.200 0.085 0.000 2.489 128 E HA 0.064 4.413 4.350 -0.000 0.000 0.193 128 E C 0.086 176.720 176.600 0.057 0.000 1.057 128 E CA 0.436 56.886 56.400 0.083 0.000 0.866 128 E CB 0.335 30.133 29.700 0.164 0.000 0.916 128 E HN 0.334 nan 8.360 nan 0.000 0.500 129 I N 2.533 123.148 120.570 0.076 0.000 2.354 129 I HA 0.212 4.382 4.170 -0.000 0.000 0.286 129 I C -2.434 173.685 176.117 0.002 0.000 1.007 129 I CA -2.419 58.920 61.300 0.064 0.000 1.167 129 I CB 1.623 39.727 38.000 0.174 0.000 1.320 129 I HN -0.342 nan 8.210 nan 0.000 0.458 130 P HA 0.111 nan 4.420 nan 0.000 0.267 130 P C 0.517 177.786 177.300 -0.052 0.000 1.205 130 P CA 0.175 63.204 63.100 -0.118 0.000 0.765 130 P CB 0.880 32.451 31.700 -0.215 0.000 0.828 131 S N 2.052 117.739 115.700 -0.021 0.000 2.383 131 S HA -0.168 4.302 4.470 -0.000 0.000 0.229 131 S C 1.276 175.974 174.600 0.163 0.000 1.030 131 S CA 1.828 60.095 58.200 0.111 0.000 1.002 131 S CB -0.570 62.603 63.200 -0.044 0.000 0.829 131 S HN 0.679 nan 8.310 nan 0.000 0.467 132 D N 0.382 120.727 120.400 -0.091 0.000 2.350 132 D HA 0.261 4.901 4.640 -0.000 0.000 0.213 132 D C 0.318 176.380 176.300 -0.397 0.000 1.031 132 D CA 0.374 54.272 54.000 -0.170 0.000 0.861 132 D CB 0.104 40.742 40.800 -0.271 0.000 0.926 132 D HN 0.273 nan 8.370 nan 0.000 0.520 133 A N 1.136 123.558 122.820 -0.664 0.000 3.399 133 A HA 0.372 4.692 4.320 -0.000 0.000 0.262 133 A C -2.151 174.616 177.584 -1.362 0.000 1.145 133 A CA -0.795 50.327 52.037 -1.525 0.000 0.916 133 A CB 0.941 19.325 19.000 -1.027 0.000 1.360 133 A HN -0.115 nan 8.150 nan 0.000 0.628 134 P HA -0.180 nan 4.420 nan 0.000 0.219 134 P C 1.232 178.334 177.300 -0.330 0.000 1.146 134 P CA 1.484 64.284 63.100 -0.499 0.000 0.808 134 P CB -0.318 31.072 31.700 -0.515 0.000 0.779 135 W N 0.924 122.150 121.300 -0.123 0.000 2.611 135 W HA 0.097 4.757 4.660 0.000 0.000 0.251 135 W C 1.360 177.832 176.519 -0.077 0.000 1.265 135 W CA 0.442 57.734 57.345 -0.088 0.000 1.295 135 W CB -1.451 27.953 29.460 -0.094 0.000 1.129 135 W HN -0.104 nan 8.180 nan 0.000 0.630 136 K N 0.864 121.063 120.400 -0.334 0.000 2.393 136 K HA 0.286 4.606 4.320 -0.000 0.000 0.193 136 K C 1.094 177.601 176.600 -0.155 0.000 1.026 136 K CA 0.288 56.465 56.287 -0.184 0.000 1.064 136 K CB -0.106 32.247 32.500 -0.246 0.000 0.833 136 K HN 0.097 nan 8.250 nan 0.000 0.521 137 A N 2.586 125.309 122.820 -0.160 0.000 2.565 137 A HA 0.027 4.347 4.320 -0.000 0.000 0.237 137 A C -1.619 175.831 177.584 -0.224 0.000 1.053 137 A CA -0.874 51.064 52.037 -0.166 0.000 0.755 137 A CB 0.027 18.949 19.000 -0.129 0.000 0.980 137 A HN -0.002 nan 8.150 nan 0.000 0.506 138 P HA -0.154 nan 4.420 nan 0.000 0.216 138 P C 0.509 177.610 177.300 -0.332 0.000 1.154 138 P CA 1.289 64.246 63.100 -0.239 0.000 0.865 138 P CB 0.036 31.612 31.700 -0.207 0.000 0.789 139 L N -2.334 118.523 121.223 -0.610 0.000 2.984 139 L HA 0.349 4.689 4.340 -0.000 0.000 0.246 139 L C 1.832 178.291 176.870 -0.685 0.000 1.268 139 L CA -0.339 54.055 54.840 -0.744 0.000 1.054 139 L CB -0.498 40.869 42.059 -1.154 0.000 1.393 139 L HN -0.099 nan 8.230 nan 0.000 0.532 140 A N 0.616 123.216 122.820 -0.366 0.000 1.884 140 A HA -0.232 4.088 4.320 -0.000 0.000 0.219 140 A C 2.195 179.769 177.584 -0.017 0.000 1.197 140 A CA 1.872 53.832 52.037 -0.128 0.000 0.637 140 A CB -0.189 18.792 19.000 -0.033 0.000 0.827 140 A HN 0.532 nan 8.150 nan 0.000 0.450 141 E N -0.960 119.219 120.200 -0.035 0.000 2.047 141 E HA -0.218 4.132 4.350 -0.000 0.000 0.191 141 E C 2.129 178.764 176.600 0.058 0.000 0.987 141 E CA 1.148 57.563 56.400 0.025 0.000 0.799 141 E CB -0.251 29.452 29.700 0.004 0.000 0.752 141 E HN 0.831 nan 8.360 nan 0.000 0.449 142 E N 0.253 120.458 120.200 0.008 0.000 2.070 142 E HA -0.212 4.138 4.350 -0.000 0.000 0.197 142 E C 1.737 178.510 176.600 0.288 0.000 1.004 142 E CA 1.364 57.821 56.400 0.094 0.000 0.805 142 E CB -0.021 29.695 29.700 0.026 0.000 0.744 142 E HN 0.288 nan 8.360 nan 0.000 0.451 143 W N 0.840 122.184 121.300 0.073 0.000 2.436 143 W HA -0.027 4.633 4.660 0.000 0.000 0.284 143 W C 1.935 178.525 176.519 0.119 0.000 1.225 143 W CA 0.757 58.158 57.345 0.093 0.000 1.271 143 W CB -0.968 28.548 29.460 0.094 0.000 1.114 143 W HN 0.235 nan 8.180 nan 0.000 0.559 144 D N -0.377 120.221 120.400 0.329 0.000 2.277 144 D HA -0.113 4.527 4.640 -0.000 0.000 0.208 144 D C 1.221 177.648 176.300 0.211 0.000 0.962 144 D CA 0.892 55.051 54.000 0.265 0.000 0.865 144 D CB -0.203 40.728 40.800 0.218 0.000 0.939 144 D HN -0.126 nan 8.370 nan 0.000 0.510 145 N N -0.417 118.392 118.700 0.182 0.000 2.370 145 N HA 0.118 4.858 4.740 -0.000 0.000 0.198 145 N C -0.260 175.330 175.510 0.133 0.000 1.156 145 N CA 0.176 53.309 53.050 0.139 0.000 0.839 145 N CB 0.279 38.830 38.487 0.108 0.000 0.989 145 N HN 0.309 nan 8.380 nan 0.000 0.468 146 M N -0.099 119.596 119.600 0.158 0.000 2.535 146 M HA 0.225 4.705 4.480 -0.000 0.000 0.314 146 M C -0.030 176.349 176.300 0.132 0.000 1.153 146 M CA -0.623 54.756 55.300 0.131 0.000 0.924 146 M CB 2.151 34.834 32.600 0.140 0.000 1.710 146 M HN -0.024 nan 8.290 nan 0.000 0.451 147 T N -0.480 114.132 114.554 0.097 0.000 2.874 147 T HA 0.266 4.616 4.350 -0.000 0.000 0.281 147 T C 1.183 175.915 174.700 0.053 0.000 0.994 147 T CA -0.871 61.281 62.100 0.087 0.000 1.015 147 T CB 0.884 69.793 68.868 0.068 0.000 1.028 147 T HN 0.620 nan 8.240 nan 0.000 0.523 148 M N 0.336 119.948 119.600 0.020 0.000 2.202 148 M HA -0.056 4.424 4.480 -0.000 0.000 0.262 148 M C 2.190 178.446 176.300 -0.073 0.000 1.063 148 M CA 1.668 56.935 55.300 -0.055 0.000 1.097 148 M CB -1.349 31.126 32.600 -0.208 0.000 1.382 148 M HN 0.880 nan 8.290 nan 0.000 0.413 149 K N 0.652 121.018 120.400 -0.056 0.000 2.032 149 K HA -0.200 4.120 4.320 -0.000 0.000 0.209 149 K C 1.715 178.291 176.600 -0.038 0.000 1.048 149 K CA 1.843 58.103 56.287 -0.046 0.000 0.927 149 K CB 0.008 32.512 32.500 0.007 0.000 0.712 149 K HN 0.422 nan 8.250 nan 0.000 0.441 150 E N 0.599 120.792 120.200 -0.012 0.000 2.058 150 E HA -0.233 4.117 4.350 -0.000 0.000 0.194 150 E C 2.090 178.679 176.600 -0.018 0.000 0.997 150 E CA 1.195 57.589 56.400 -0.011 0.000 0.801 150 E CB -0.242 29.467 29.700 0.016 0.000 0.746 150 E HN 0.199 nan 8.360 nan 0.000 0.450 151 L N 1.388 122.604 121.223 -0.012 0.000 2.012 151 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 151 L C 2.146 179.001 176.870 -0.025 0.000 1.073 151 L CA 1.645 56.473 54.840 -0.020 0.000 0.748 151 L CB -0.451 41.590 42.059 -0.029 0.000 0.891 151 L HN 0.135 nan 8.230 nan 0.000 0.431 152 L N -0.848 120.346 121.223 -0.050 0.000 2.012 152 L HA -0.242 4.098 4.340 -0.000 0.000 0.210 152 L C 2.298 179.101 176.870 -0.112 0.000 1.073 152 L CA 1.494 56.274 54.840 -0.100 0.000 0.748 152 L CB -1.015 40.942 42.059 -0.170 0.000 0.891 152 L HN 0.290 nan 8.230 nan 0.000 0.431 153 D N 0.276 120.615 120.400 -0.101 0.000 2.149 153 D HA -0.181 4.459 4.640 -0.000 0.000 0.198 153 D C 2.219 178.437 176.300 -0.137 0.000 0.990 153 D CA 1.314 55.242 54.000 -0.120 0.000 0.839 153 D CB -0.015 40.726 40.800 -0.098 0.000 0.948 153 D HN 0.273 nan 8.370 nan 0.000 0.460 154 K N -0.475 119.874 120.400 -0.085 0.000 2.116 154 K HA -0.027 4.293 4.320 -0.000 0.000 0.203 154 K C 1.829 178.426 176.600 -0.006 0.000 1.052 154 K CA 0.228 56.478 56.287 -0.062 0.000 0.952 154 K CB 0.060 32.556 32.500 -0.007 0.000 0.729 154 K HN 0.003 nan 8.250 nan 0.000 0.446 155 L N 0.489 121.727 121.223 0.026 0.000 2.162 155 L HA 0.059 4.399 4.340 -0.000 0.000 0.205 155 L C 0.022 177.001 176.870 0.180 0.000 1.086 155 L CA 1.091 56.002 54.840 0.119 0.000 0.778 155 L CB 0.202 42.321 42.059 0.100 0.000 0.928 155 L HN 0.033 nan 8.230 nan 0.000 0.446 156 C N -0.036 119.284 119.300 0.032 0.000 2.281 156 C HA 0.166 4.626 4.460 -0.000 0.000 0.336 156 C C 0.732 175.745 174.990 0.038 0.000 1.217 156 C CA -0.790 58.232 59.018 0.006 0.000 1.730 156 C CB -1.224 26.400 27.740 -0.193 0.000 2.338 156 C HN 0.598 nan 8.230 nan 0.000 0.521 157 W N 1.886 123.143 121.300 -0.070 0.000 3.256 157 W HA 0.140 4.800 4.660 -0.000 0.000 0.269 157 W C 1.344 177.842 176.519 -0.035 0.000 1.310 157 W CA 0.063 57.383 57.345 -0.042 0.000 1.673 157 W CB -0.158 29.289 29.460 -0.021 0.000 1.115 157 W HN 0.675 nan 8.180 nan 0.000 0.686 158 T N -3.670 110.959 114.554 0.126 0.000 2.863 158 T HA 0.288 4.638 4.350 -0.000 0.000 0.285 158 T C 0.842 175.538 174.700 -0.006 0.000 1.009 158 T CA -0.644 61.499 62.100 0.071 0.000 0.989 158 T CB 2.600 71.533 68.868 0.109 0.000 1.004 158 T HN -0.232 nan 8.240 nan 0.000 0.455 159 E N 1.218 121.416 120.200 -0.003 0.000 2.160 159 E HA -0.135 4.215 4.350 -0.000 0.000 0.195 159 E C 2.104 178.694 176.600 -0.017 0.000 0.991 159 E CA 1.393 57.779 56.400 -0.025 0.000 0.810 159 E CB -0.353 29.343 29.700 -0.008 0.000 0.742 159 E HN 0.751 nan 8.360 nan 0.000 0.466 160 S N 0.315 116.041 115.700 0.043 0.000 2.356 160 S HA -0.148 4.322 4.470 -0.000 0.000 0.223 160 S C 2.073 176.694 174.600 0.036 0.000 1.032 160 S CA 1.515 59.792 58.200 0.129 0.000 1.005 160 S CB -0.075 63.272 63.200 0.245 0.000 0.867 160 S HN 0.294 nan 8.310 nan 0.000 0.449 161 A N 1.422 124.121 122.820 -0.201 0.000 1.898 161 A HA -0.050 4.270 4.320 -0.000 0.000 0.216 161 A C 2.189 179.410 177.584 -0.604 0.000 1.181 161 A CA 1.770 53.345 52.037 -0.771 0.000 0.620 161 A CB -0.770 17.828 19.000 -0.670 0.000 0.819 161 A HN 0.637 nan 8.150 nan 0.000 0.442 162 K N -0.464 119.708 120.400 -0.380 0.000 2.063 162 K HA -0.234 4.086 4.320 -0.000 0.000 0.208 162 K C 2.253 178.695 176.600 -0.264 0.000 1.048 162 K CA 1.829 57.910 56.287 -0.344 0.000 0.928 162 K CB -0.208 32.162 32.500 -0.216 0.000 0.713 162 K HN 0.644 nan 8.250 nan 0.000 0.442 163 Q N 0.281 119.990 119.800 -0.150 0.000 2.061 163 Q HA -0.189 4.151 4.340 -0.000 0.000 0.204 163 Q C 2.140 178.124 176.000 -0.027 0.000 0.984 163 Q CA 1.487 57.260 55.803 -0.051 0.000 0.846 163 Q CB -0.124 28.630 28.738 0.026 0.000 0.902 163 Q HN 0.217 nan 8.270 nan 0.000 0.421 164 L N 0.477 121.671 121.223 -0.049 0.000 2.056 164 L HA -0.083 4.257 4.340 -0.000 0.000 0.207 164 L C 2.158 178.995 176.870 -0.055 0.000 1.078 164 L CA 1.980 56.839 54.840 0.032 0.000 0.749 164 L CB -0.902 41.218 42.059 0.101 0.000 0.901 164 L HN 0.149 nan 8.230 nan 0.000 0.433 165 A N -1.644 120.924 122.820 -0.420 0.000 1.917 165 A HA -0.249 4.071 4.320 -0.000 0.000 0.219 165 A C 2.284 179.771 177.584 -0.161 0.000 1.182 165 A CA 2.475 54.172 52.037 -0.566 0.000 0.633 165 A CB -1.224 16.956 19.000 -1.367 0.000 0.819 165 A HN 0.506 nan 8.150 nan 0.000 0.448 166 T N -0.119 114.332 114.554 -0.171 0.000 2.777 166 T HA -0.097 4.253 4.350 -0.000 0.000 0.266 166 T C 1.865 176.551 174.700 -0.024 0.000 1.040 166 T CA 1.349 63.382 62.100 -0.112 0.000 1.141 166 T CB -0.352 68.462 68.868 -0.091 0.000 0.868 166 T HN 0.411 nan 8.240 nan 0.000 0.444 167 L N 0.282 121.543 121.223 0.063 0.000 2.046 167 L HA -0.036 4.304 4.340 -0.000 0.000 0.208 167 L C 2.241 179.222 176.870 0.185 0.000 1.077 167 L CA 1.446 56.367 54.840 0.135 0.000 0.747 167 L CB -0.394 41.785 42.059 0.200 0.000 0.896 167 L HN 0.220 nan 8.230 nan 0.000 0.432 168 F N -0.108 119.904 119.950 0.103 0.000 2.091 168 F HA -0.242 4.285 4.527 -0.000 0.000 0.299 168 F C 2.058 177.960 175.800 0.170 0.000 1.103 168 F CA 2.136 60.258 58.000 0.203 0.000 1.228 168 F CB -0.802 38.421 39.000 0.371 0.000 0.984 168 F HN -0.113 nan 8.300 nan 0.000 0.477 169 V N 1.174 120.943 119.914 -0.241 0.000 2.261 169 V HA -0.356 3.764 4.120 -0.000 0.000 0.246 169 V C 2.120 178.055 176.094 -0.264 0.000 1.047 169 V CA 2.441 64.422 62.300 -0.532 0.000 1.015 169 V CB -1.103 30.282 31.823 -0.730 0.000 0.642 169 V HN 0.418 nan 8.190 nan 0.000 0.446 170 N N 0.067 118.669 118.700 -0.163 0.000 2.061 170 N HA -0.244 4.496 4.740 -0.000 0.000 0.193 170 N C 1.762 177.227 175.510 -0.076 0.000 1.030 170 N CA 1.490 54.476 53.050 -0.108 0.000 0.856 170 N CB -0.246 38.224 38.487 -0.028 0.000 1.023 170 N HN 0.328 nan 8.380 nan 0.000 0.424 171 L N 0.741 121.958 121.223 -0.011 0.000 2.072 171 L HA -0.042 4.298 4.340 -0.000 0.000 0.205 171 L C 2.388 179.305 176.870 0.078 0.000 1.079 171 L CA 1.391 56.247 54.840 0.027 0.000 0.752 171 L CB -0.794 41.281 42.059 0.026 0.000 0.906 171 L HN 0.257 nan 8.230 nan 0.000 0.436 172 C N -1.196 118.132 119.300 0.046 0.000 2.446 172 C HA -0.042 4.418 4.460 -0.000 0.000 0.277 172 C C 2.252 177.348 174.990 0.176 0.000 1.275 172 C CA 1.206 60.307 59.018 0.139 0.000 1.727 172 C CB -0.553 27.185 27.740 -0.003 0.000 2.010 172 C HN 0.549 nan 8.230 nan 0.000 0.486 173 V N -1.702 118.218 119.914 0.010 0.000 3.252 173 V HA 0.322 4.442 4.120 -0.000 0.000 0.320 173 V C 0.735 176.702 176.094 -0.213 0.000 1.459 173 V CA 0.955 63.220 62.300 -0.058 0.000 1.095 173 V CB -1.216 30.682 31.823 0.126 0.000 0.997 173 V HN 0.591 nan 8.190 nan 0.000 0.469 174 T N -1.449 112.899 114.554 -0.343 0.000 3.760 174 T HA -0.084 4.266 4.350 -0.000 0.000 0.366 174 T C 0.125 174.662 174.700 -0.271 0.000 0.761 174 T CA 1.342 63.215 62.100 -0.378 0.000 1.887 174 T CB -2.541 65.963 68.868 -0.606 0.000 1.811 174 T HN 2.437 nan 8.240 nan 0.000 0.749 175 A N -0.297 122.349 122.820 -0.289 0.000 2.594 175 A HA 0.733 5.053 4.320 -0.000 0.000 0.291 175 A C -0.455 176.909 177.584 -0.366 0.000 1.105 175 A CA -1.068 50.722 52.037 -0.411 0.000 0.694 175 A CB 1.219 19.733 19.000 -0.811 0.000 1.291 175 A HN 0.346 nan 8.150 nan 0.000 0.410 176 E N 0.489 120.428 120.200 -0.436 0.000 2.349 176 E HA 0.250 4.600 4.350 -0.000 0.000 0.265 176 E C 1.260 177.549 176.600 -0.518 0.000 1.064 176 E CA 0.509 56.621 56.400 -0.479 0.000 0.886 176 E CB 0.938 30.179 29.700 -0.765 0.000 1.036 176 E HN 0.810 nan 8.360 nan 0.000 0.413 177 T N -1.327 112.994 114.554 -0.390 0.000 2.833 177 T HA -0.212 4.138 4.350 -0.000 0.000 0.269 177 T C 1.459 176.030 174.700 -0.215 0.000 1.054 177 T CA 1.705 63.629 62.100 -0.293 0.000 1.135 177 T CB -0.400 68.345 68.868 -0.206 0.000 0.869 177 T HN 0.634 nan 8.240 nan 0.000 0.466 178 H N 0.591 119.595 119.070 -0.111 0.000 2.555 178 H HA 0.239 4.795 4.556 -0.000 0.000 0.269 178 H C 1.493 176.786 175.328 -0.058 0.000 0.988 178 H CA 0.853 56.857 56.048 -0.073 0.000 1.178 178 H CB -0.184 29.537 29.762 -0.069 0.000 1.373 178 H HN 0.519 nan 8.280 nan 0.000 0.588 179 E N 1.370 121.380 120.200 -0.316 0.000 2.250 179 E HA 0.044 4.394 4.350 -0.000 0.000 0.192 179 E C 0.844 177.401 176.600 -0.072 0.000 0.986 179 E CA 0.456 56.749 56.400 -0.179 0.000 0.849 179 E CB 0.790 30.239 29.700 -0.417 0.000 0.797 179 E HN 0.357 nan 8.360 nan 0.000 0.482 180 V N -0.793 119.064 119.914 -0.094 0.000 2.630 180 V HA 0.398 4.518 4.120 -0.000 0.000 0.305 180 V C 0.062 176.290 176.094 0.223 0.000 1.046 180 V CA -1.148 61.209 62.300 0.096 0.000 0.934 180 V CB 1.821 33.747 31.823 0.171 0.000 1.003 180 V HN -0.027 nan 8.190 nan 0.000 0.451 181 S N 3.279 119.189 115.700 0.350 0.000 2.549 181 S HA 0.408 4.878 4.470 -0.000 0.000 0.286 181 S C 1.433 176.282 174.600 0.415 0.000 1.314 181 S CA 0.195 58.616 58.200 0.369 0.000 1.062 181 S CB 0.896 64.356 63.200 0.434 0.000 0.865 181 S HN 1.721 nan 8.310 nan 0.000 0.498 182 A N 4.883 127.880 122.820 0.294 0.000 1.898 182 A HA -0.015 4.305 4.320 -0.000 0.000 0.216 182 A C 2.021 179.786 177.584 0.303 0.000 1.181 182 A CA 1.528 53.713 52.037 0.247 0.000 0.620 182 A CB -0.908 18.165 19.000 0.121 0.000 0.819 182 A HN 0.928 nan 8.150 nan 0.000 0.442 183 L N -1.387 120.057 121.223 0.369 0.000 2.012 183 L HA -0.176 4.164 4.340 -0.000 0.000 0.210 183 L C 2.236 179.344 176.870 0.397 0.000 1.073 183 L CA 2.582 57.669 54.840 0.412 0.000 0.748 183 L CB -0.808 41.493 42.059 0.404 0.000 0.891 183 L HN 0.666 nan 8.230 nan 0.000 0.431 184 W N -0.580 120.889 121.300 0.282 0.000 2.355 184 W HA -0.297 4.363 4.660 -0.000 0.000 0.309 184 W C 2.364 179.155 176.519 0.453 0.000 1.206 184 W CA 2.005 59.540 57.345 0.316 0.000 1.284 184 W CB -0.684 28.947 29.460 0.285 0.000 1.145 184 W HN 0.294 nan 8.180 nan 0.000 0.502 185 F N 0.617 120.623 119.950 0.094 0.000 2.186 185 F HA -0.133 4.394 4.527 -0.000 0.000 0.299 185 F C 2.050 177.763 175.800 -0.147 0.000 1.090 185 F CA 2.005 59.855 58.000 -0.249 0.000 1.307 185 F CB -0.594 38.392 39.000 -0.024 0.000 1.019 185 F HN -0.171 nan 8.300 nan 0.000 0.489 186 L N -1.289 119.946 121.223 0.020 0.000 2.093 186 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 186 L C 2.282 179.089 176.870 -0.104 0.000 1.085 186 L CA 1.559 56.361 54.840 -0.064 0.000 0.755 186 L CB -0.981 41.076 42.059 -0.004 0.000 0.904 186 L HN 0.440 nan 8.230 nan 0.000 0.435 187 W N 0.091 121.275 121.300 -0.193 0.000 2.354 187 W HA -0.313 4.347 4.660 0.000 0.000 0.315 187 W C 2.638 178.953 176.519 -0.339 0.000 1.206 187 W CA 1.577 58.791 57.345 -0.218 0.000 1.290 187 W CB -0.684 28.680 29.460 -0.160 0.000 1.152 187 W HN 0.108 nan 8.180 nan 0.000 0.489 188 Y N 0.720 120.574 120.300 -0.743 0.000 2.114 188 Y HA -0.326 4.224 4.550 -0.000 0.000 0.282 188 Y C 2.365 177.707 175.900 -0.930 0.000 1.165 188 Y CA 3.100 60.536 58.100 -1.107 0.000 1.148 188 Y CB -0.821 36.952 38.460 -1.145 0.000 0.972 188 Y HN -0.126 nan 8.280 nan 0.000 0.504 189 V N 0.980 120.474 119.914 -0.700 0.000 2.307 189 V HA -0.285 3.835 4.120 -0.000 0.000 0.245 189 V C 2.512 178.283 176.094 -0.537 0.000 1.045 189 V CA 2.217 64.187 62.300 -0.550 0.000 1.024 189 V CB -0.703 30.886 31.823 -0.389 0.000 0.651 189 V HN 0.333 nan 8.190 nan 0.000 0.449 190 K N 1.156 121.262 120.400 -0.490 0.000 2.063 190 K HA -0.267 4.053 4.320 -0.000 0.000 0.208 190 K C 2.142 178.417 176.600 -0.543 0.000 1.048 190 K CA 2.349 58.385 56.287 -0.419 0.000 0.928 190 K CB -0.209 32.116 32.500 -0.292 0.000 0.713 190 K HN 0.718 nan 8.250 nan 0.000 0.442 191 Q N -0.663 118.664 119.800 -0.788 0.000 2.488 191 Q HA -0.016 4.324 4.340 -0.000 0.000 0.211 191 Q C 1.430 176.933 176.000 -0.827 0.000 0.967 191 Q CA 1.084 56.428 55.803 -0.766 0.000 0.926 191 Q CB -0.491 27.632 28.738 -1.024 0.000 0.992 191 Q HN 0.178 nan 8.270 nan 0.000 0.506 192 C N 0.103 118.768 119.300 -1.059 0.000 2.754 192 C HA 0.632 5.092 4.460 -0.000 0.000 0.276 192 C C 1.532 175.800 174.990 -1.202 0.000 1.264 192 C CA 0.047 58.045 59.018 -1.699 0.000 1.700 192 C CB -0.863 25.791 27.740 -1.810 0.000 1.885 192 C HN 0.821 nan 8.230 nan 0.000 0.607 193 G N 0.144 108.555 108.800 -0.648 0.000 2.159 193 G HA2 0.297 4.257 3.960 -0.000 0.000 0.227 193 G HA3 0.297 4.257 3.960 -0.000 0.000 0.227 193 G C 0.462 175.192 174.900 -0.282 0.000 0.986 193 G CA 0.008 44.890 45.100 -0.364 0.000 0.651 193 G HN 1.672 nan 8.290 nan 0.000 0.523 194 G N -2.110 106.499 108.800 -0.318 0.000 2.525 194 G HA2 0.340 4.300 3.960 -0.000 0.000 0.685 194 G HA3 0.340 4.300 3.960 -0.000 0.000 0.685 194 G C 1.012 175.836 174.900 -0.126 0.000 1.290 194 G CA 0.971 45.953 45.100 -0.197 0.000 0.915 194 G HN 1.834 nan 8.290 nan 0.000 0.548 195 T N -2.866 111.663 114.554 -0.042 0.000 2.708 195 T HA -0.121 4.229 4.350 -0.000 0.000 0.266 195 T C 2.368 177.006 174.700 -0.103 0.000 1.037 195 T CA 3.007 65.113 62.100 0.009 0.000 1.146 195 T CB -0.912 68.008 68.868 0.087 0.000 0.865 195 T HN 1.018 nan 8.240 nan 0.000 0.435 196 T N 1.402 115.915 114.554 -0.069 0.000 2.684 196 T HA -0.064 4.286 4.350 -0.000 0.000 0.267 196 T C 2.126 176.742 174.700 -0.140 0.000 1.036 196 T CA 1.589 63.609 62.100 -0.134 0.000 1.148 196 T CB -0.344 68.524 68.868 0.000 0.000 0.863 196 T HN 0.304 nan 8.240 nan 0.000 0.436 197 R N 0.890 121.339 120.500 -0.084 0.000 2.081 197 R HA 0.123 4.463 4.340 -0.000 0.000 0.235 197 R C 2.221 178.532 176.300 0.019 0.000 1.131 197 R CA 1.206 57.288 56.100 -0.030 0.000 0.960 197 R CB -0.857 29.414 30.300 -0.049 0.000 0.856 197 R HN 0.472 nan 8.270 nan 0.000 0.436 198 I N 0.326 120.875 120.570 -0.034 0.000 2.353 198 I HA -0.156 4.014 4.170 -0.000 0.000 0.248 198 I C 1.703 177.886 176.117 0.110 0.000 1.119 198 I CA 1.202 62.541 61.300 0.065 0.000 1.417 198 I CB 0.049 38.068 38.000 0.033 0.000 1.078 198 I HN 0.335 nan 8.210 nan 0.000 0.421 199 I N -2.443 118.124 120.570 -0.004 0.000 3.419 199 I HA 0.106 4.276 4.170 -0.000 0.000 0.286 199 I C 0.806 176.840 176.117 -0.137 0.000 1.268 199 I CA 0.033 61.284 61.300 -0.081 0.000 1.414 199 I CB -0.166 37.664 38.000 -0.284 0.000 1.074 199 I HN -0.081 nan 8.210 nan 0.000 0.457 200 S N 1.201 116.820 115.700 -0.134 0.000 2.584 200 S HA 0.284 4.754 4.470 -0.000 0.000 0.273 200 S C 0.929 175.485 174.600 -0.072 0.000 1.311 200 S CA -0.324 57.800 58.200 -0.127 0.000 1.034 200 S CB 1.727 64.851 63.200 -0.125 0.000 0.939 200 S HN 0.300 nan 8.310 nan 0.000 0.513 201 T N 2.190 116.701 114.554 -0.072 0.000 2.896 201 T HA 0.032 4.382 4.350 -0.000 0.000 0.238 201 T C 0.575 175.231 174.700 -0.073 0.000 1.045 201 T CA 0.610 62.661 62.100 -0.082 0.000 1.248 201 T CB -0.362 68.456 68.868 -0.084 0.000 0.955 201 T HN 0.609 nan 8.240 nan 0.000 0.416 202 T N 3.516 118.034 114.554 -0.061 0.000 2.871 202 T HA 0.111 4.461 4.350 -0.000 0.000 0.296 202 T C 0.716 175.389 174.700 -0.045 0.000 0.998 202 T CA 0.379 62.451 62.100 -0.047 0.000 1.162 202 T CB -0.116 68.731 68.868 -0.034 0.000 0.947 202 T HN 0.519 nan 8.240 nan 0.000 0.536 203 N N 0.667 119.343 118.700 -0.040 0.000 2.800 203 N HA -0.151 4.589 4.740 -0.000 0.000 0.250 203 N C 0.182 175.678 175.510 -0.024 0.000 1.078 203 N CA 1.496 54.528 53.050 -0.030 0.000 0.804 203 N CB -1.048 37.427 38.487 -0.020 0.000 1.135 203 N HN 0.961 nan 8.380 nan 0.000 0.565 204 G N -3.186 105.593 108.800 -0.036 0.000 3.021 204 G HA2 0.560 4.520 3.960 -0.000 0.000 0.290 204 G HA3 0.560 4.520 3.960 -0.000 0.000 0.290 204 G C 0.991 175.866 174.900 -0.042 0.000 1.291 204 G CA 0.002 45.101 45.100 -0.003 0.000 0.834 204 G HN 0.291 nan 8.290 nan 0.000 0.564 205 G N -0.783 108.027 108.800 0.017 0.000 2.462 205 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.220 205 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.220 205 G C 1.200 176.040 174.900 -0.100 0.000 1.121 205 G CA 1.063 46.088 45.100 -0.125 0.000 0.758 205 G HN 0.410 nan 8.290 nan 0.000 0.559 206 Q N -0.334 119.411 119.800 -0.091 0.000 2.201 206 Q HA 0.276 4.616 4.340 -0.000 0.000 0.217 206 Q C 1.642 177.545 176.000 -0.160 0.000 0.860 206 Q CA -0.087 55.593 55.803 -0.205 0.000 0.984 206 Q CB 0.697 29.212 28.738 -0.372 0.000 1.095 206 Q HN 0.650 nan 8.270 nan 0.000 0.477 207 E N 0.485 120.615 120.200 -0.118 0.000 2.106 207 E HA -0.075 4.275 4.350 -0.000 0.000 0.192 207 E C -0.033 176.494 176.600 -0.121 0.000 0.984 207 E CA 0.764 57.098 56.400 -0.109 0.000 0.806 207 E CB 0.433 30.070 29.700 -0.106 0.000 0.750 207 E HN 0.162 nan 8.360 nan 0.000 0.458 208 R N -0.891 119.520 120.500 -0.149 0.000 2.836 208 R HA 0.467 4.807 4.340 -0.000 0.000 0.269 208 R C -1.077 175.019 176.300 -0.341 0.000 1.010 208 R CA -0.741 55.194 56.100 -0.274 0.000 0.930 208 R CB 2.001 32.119 30.300 -0.303 0.000 1.218 208 R HN -0.178 nan 8.270 nan 0.000 0.473 209 K N 0.568 120.602 120.400 -0.610 0.000 2.444 209 K HA 0.435 4.755 4.320 -0.000 0.000 0.252 209 K C -1.148 175.138 176.600 -0.523 0.000 0.993 209 K CA -0.711 55.219 56.287 -0.594 0.000 0.847 209 K CB 1.599 33.789 32.500 -0.515 0.000 1.340 209 K HN 0.243 nan 8.250 nan 0.000 0.446 210 F N 1.130 121.027 119.950 -0.087 0.000 2.427 210 F HA 0.133 4.660 4.527 -0.000 0.000 0.352 210 F C 0.517 176.392 175.800 0.125 0.000 1.100 210 F CA -0.922 57.078 58.000 0.000 0.000 1.191 210 F CB 0.890 39.864 39.000 -0.043 0.000 1.128 210 F HN 0.012 nan 8.300 nan 0.000 0.533 211 V N 3.876 124.009 119.914 0.365 0.000 2.493 211 V HA 0.202 4.322 4.120 -0.000 0.000 0.292 211 V C 0.945 176.955 176.094 -0.139 0.000 1.016 211 V CA 1.299 63.729 62.300 0.217 0.000 1.097 211 V CB 0.052 31.970 31.823 0.160 0.000 0.947 211 V HN 1.117 nan 8.190 nan 0.000 0.479 212 G N 3.327 111.668 108.800 -0.766 0.000 2.194 212 G HA2 0.155 4.115 3.960 -0.000 0.000 0.236 212 G HA3 0.155 4.115 3.960 -0.000 0.000 0.236 212 G C 0.756 175.155 174.900 -0.835 0.000 0.987 212 G CA -0.116 44.234 45.100 -1.251 0.000 0.635 212 G HN 2.406 nan 8.290 nan 0.000 0.520 213 G N -1.374 107.242 108.800 -0.308 0.000 2.697 213 G HA2 0.378 4.338 3.960 -0.000 0.000 0.686 213 G HA3 0.378 4.338 3.960 -0.000 0.000 0.686 213 G C 0.823 175.751 174.900 0.046 0.000 1.179 213 G CA 0.865 45.967 45.100 0.003 0.000 0.765 213 G HN 1.874 nan 8.290 nan 0.000 0.649 214 S N 0.048 115.828 115.700 0.133 0.000 2.453 214 S HA 0.107 4.577 4.470 -0.000 0.000 0.231 214 S C 2.498 177.095 174.600 -0.006 0.000 1.005 214 S CA 1.733 60.011 58.200 0.131 0.000 0.949 214 S CB -0.069 63.259 63.200 0.213 0.000 0.774 214 S HN 2.167 nan 8.310 nan 0.000 0.510 215 G N 1.149 109.957 108.800 0.013 0.000 2.498 215 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.219 215 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.219 215 G C 1.427 176.306 174.900 -0.036 0.000 1.119 215 G CA 0.456 45.567 45.100 0.018 0.000 0.766 215 G HN 0.637 nan 8.290 nan 0.000 0.552 216 Q N -0.164 119.581 119.800 -0.093 0.000 2.226 216 Q HA -0.051 4.289 4.340 -0.000 0.000 0.204 216 Q C 2.708 178.618 176.000 -0.151 0.000 0.975 216 Q CA 0.907 56.635 55.803 -0.126 0.000 0.866 216 Q CB -0.151 28.486 28.738 -0.168 0.000 0.915 216 Q HN 0.428 nan 8.270 nan 0.000 0.440 217 V N 0.326 120.123 119.914 -0.195 0.000 2.255 217 V HA -0.292 3.828 4.120 -0.000 0.000 0.247 217 V C 2.140 178.173 176.094 -0.102 0.000 1.051 217 V CA 2.160 64.344 62.300 -0.192 0.000 1.018 217 V CB -0.603 31.091 31.823 -0.216 0.000 0.641 217 V HN 0.295 nan 8.190 nan 0.000 0.445 218 S N -0.829 114.835 115.700 -0.059 0.000 2.383 218 S HA -0.180 4.290 4.470 -0.000 0.000 0.227 218 S C 1.923 176.504 174.600 -0.032 0.000 1.026 218 S CA 1.401 59.584 58.200 -0.029 0.000 0.981 218 S CB -0.242 62.962 63.200 0.007 0.000 0.818 218 S HN 0.679 nan 8.310 nan 0.000 0.472 219 E N 1.028 121.208 120.200 -0.033 0.000 2.051 219 E HA -0.092 4.258 4.350 -0.000 0.000 0.192 219 E C 2.382 178.954 176.600 -0.048 0.000 0.991 219 E CA 0.877 57.258 56.400 -0.031 0.000 0.799 219 E CB -0.071 29.611 29.700 -0.030 0.000 0.748 219 E HN 0.345 nan 8.360 nan 0.000 0.449 220 R N 0.278 120.739 120.500 -0.065 0.000 2.092 220 R HA -0.063 4.277 4.340 -0.000 0.000 0.231 220 R C 2.377 178.638 176.300 -0.065 0.000 1.119 220 R CA 0.939 56.998 56.100 -0.068 0.000 0.970 220 R CB -0.244 30.006 30.300 -0.084 0.000 0.864 220 R HN 0.230 nan 8.270 nan 0.000 0.440 221 I N 0.702 121.233 120.570 -0.066 0.000 2.315 221 I HA -0.288 3.882 4.170 -0.000 0.000 0.248 221 I C 2.681 178.752 176.117 -0.077 0.000 1.117 221 I CA 1.125 62.384 61.300 -0.068 0.000 1.404 221 I CB -0.199 37.765 38.000 -0.060 0.000 1.071 221 I HN 0.208 nan 8.210 nan 0.000 0.419 222 M N 0.948 120.511 119.600 -0.062 0.000 2.108 222 M HA -0.252 4.228 4.480 -0.000 0.000 0.261 222 M C 1.663 177.924 176.300 -0.064 0.000 1.066 222 M CA 1.988 57.252 55.300 -0.060 0.000 1.107 222 M CB -0.202 32.375 32.600 -0.039 0.000 1.356 222 M HN 0.118 nan 8.290 nan 0.000 0.406 223 D N 0.723 121.090 120.400 -0.055 0.000 2.123 223 D HA -0.162 4.478 4.640 -0.000 0.000 0.196 223 D C 2.061 178.325 176.300 -0.060 0.000 0.992 223 D CA 1.494 55.465 54.000 -0.049 0.000 0.833 223 D CB -0.505 40.270 40.800 -0.042 0.000 0.954 223 D HN 0.439 nan 8.370 nan 0.000 0.455 224 L N 0.041 121.218 121.223 -0.075 0.000 2.131 224 L HA -0.099 4.241 4.340 -0.000 0.000 0.210 224 L C 2.335 179.097 176.870 -0.179 0.000 1.092 224 L CA 0.629 55.413 54.840 -0.093 0.000 0.759 224 L CB -0.188 41.818 42.059 -0.088 0.000 0.903 224 L HN 0.031 nan 8.230 nan 0.000 0.435 225 L N -1.236 119.862 121.223 -0.208 0.000 2.446 225 L HA 0.155 4.495 4.340 -0.000 0.000 0.219 225 L C 1.675 178.453 176.870 -0.154 0.000 1.116 225 L CA 0.355 55.022 54.840 -0.289 0.000 0.844 225 L CB -0.602 41.315 42.059 -0.236 0.000 0.970 225 L HN 0.418 nan 8.230 nan 0.000 0.457 226 G N 1.965 110.709 108.800 -0.093 0.000 2.622 226 G HA2 -0.456 3.504 3.960 -0.000 0.000 0.307 226 G HA3 -0.456 3.504 3.960 -0.000 0.000 0.307 226 G C 0.623 175.501 174.900 -0.037 0.000 1.226 226 G CA 0.543 45.614 45.100 -0.048 0.000 0.997 226 G HN 0.510 nan 8.290 nan 0.000 0.551 227 D N 1.016 121.406 120.400 -0.017 0.000 2.378 227 D HA 0.002 4.642 4.640 -0.000 0.000 0.227 227 D C 2.089 178.389 176.300 0.000 0.000 1.012 227 D CA 0.876 54.874 54.000 -0.003 0.000 0.905 227 D CB -0.346 40.461 40.800 0.011 0.000 0.895 227 D HN 0.636 nan 8.370 nan 0.000 0.532 228 R N -0.070 120.420 120.500 -0.017 0.000 2.235 228 R HA 0.097 4.437 4.340 -0.000 0.000 0.213 228 R C 0.315 176.592 176.300 -0.038 0.000 1.059 228 R CA 0.209 56.299 56.100 -0.016 0.000 0.997 228 R CB 0.292 30.574 30.300 -0.031 0.000 0.884 228 R HN 0.073 nan 8.270 nan 0.000 0.462 229 V N 2.959 122.846 119.914 -0.045 0.000 2.406 229 V HA 0.123 4.243 4.120 -0.000 0.000 0.272 229 V C -0.138 175.932 176.094 -0.041 0.000 1.043 229 V CA -0.494 61.775 62.300 -0.053 0.000 0.915 229 V CB 1.322 33.115 31.823 -0.050 0.000 0.988 229 V HN 0.040 nan 8.190 nan 0.000 0.466 230 K N 6.524 126.887 120.400 -0.061 0.000 2.316 230 K HA 0.549 4.869 4.320 -0.000 0.000 0.267 230 K C -0.699 175.869 176.600 -0.054 0.000 1.025 230 K CA -0.316 55.945 56.287 -0.043 0.000 0.896 230 K CB 1.821 34.291 32.500 -0.052 0.000 1.124 230 K HN 0.496 nan 8.250 nan 0.000 0.451 231 L N 1.572 122.773 121.223 -0.035 0.000 2.399 231 L HA 0.188 4.528 4.340 -0.000 0.000 0.266 231 L C 0.654 177.498 176.870 -0.044 0.000 1.114 231 L CA -0.271 54.543 54.840 -0.043 0.000 0.804 231 L CB 0.266 42.309 42.059 -0.027 0.000 1.146 231 L HN 0.699 nan 8.230 nan 0.000 0.451 232 E N 0.619 120.779 120.200 -0.067 0.000 2.389 232 E HA -0.229 4.121 4.350 -0.000 0.000 0.243 232 E C -0.535 176.028 176.600 -0.061 0.000 1.154 232 E CA 0.285 56.643 56.400 -0.069 0.000 0.723 232 E CB -0.789 28.888 29.700 -0.038 0.000 1.261 232 E HN 0.360 nan 8.360 nan 0.000 0.390 233 R N 0.183 120.633 120.500 -0.084 0.000 2.724 233 R HA 0.248 4.588 4.340 -0.000 0.000 0.284 233 R C -2.708 173.532 176.300 -0.100 0.000 1.481 233 R CA -1.988 54.076 56.100 -0.059 0.000 1.652 233 R CB 0.611 30.880 30.300 -0.052 0.000 1.175 233 R HN -0.010 nan 8.270 nan 0.000 0.613 234 P HA 0.021 nan 4.420 nan 0.000 0.271 234 P C -0.281 177.009 177.300 -0.017 0.000 1.226 234 P CA -0.182 62.835 63.100 -0.139 0.000 0.765 234 P CB 0.943 32.573 31.700 -0.117 0.000 0.835 235 V N 5.466 125.375 119.914 -0.008 0.000 2.555 235 V HA 0.055 4.175 4.120 -0.000 0.000 0.286 235 V C 1.722 177.857 176.094 0.068 0.000 1.044 235 V CA 0.420 62.737 62.300 0.029 0.000 1.026 235 V CB 0.363 32.187 31.823 0.002 0.000 0.981 235 V HN 0.535 nan 8.190 nan 0.000 0.480 236 I N 1.903 122.530 120.570 0.096 0.000 4.323 236 I HA 0.440 4.610 4.170 -0.000 0.000 0.328 236 I C 0.011 176.235 176.117 0.178 0.000 1.310 236 I CA 0.139 61.521 61.300 0.137 0.000 1.186 236 I CB 0.594 38.666 38.000 0.120 0.000 1.130 236 I HN 0.500 nan 8.210 nan 0.000 0.411 237 Y N 1.852 122.116 120.300 -0.059 0.000 2.436 237 Y HA 0.681 5.231 4.550 -0.000 0.000 0.327 237 Y C -1.889 173.944 175.900 -0.111 0.000 1.138 237 Y CA -1.594 56.450 58.100 -0.095 0.000 1.042 237 Y CB 1.597 40.028 38.460 -0.047 0.000 1.302 237 Y HN -0.015 nan 8.280 nan 0.000 0.439 238 I N 5.870 126.063 120.570 -0.628 0.000 2.447 238 I HA 0.301 4.471 4.170 -0.000 0.000 0.287 238 I C -1.342 174.407 176.117 -0.614 0.000 1.023 238 I CA -0.697 60.305 61.300 -0.496 0.000 1.083 238 I CB 1.818 39.688 38.000 -0.218 0.000 1.245 238 I HN 0.526 nan 8.210 nan 0.000 0.434 239 D N 6.102 126.180 120.400 -0.537 0.000 2.425 239 D HA 0.270 4.910 4.640 -0.000 0.000 0.240 239 D C -0.213 176.013 176.300 -0.123 0.000 1.080 239 D CA -0.204 53.584 54.000 -0.354 0.000 0.836 239 D CB 1.635 42.240 40.800 -0.324 0.000 1.125 239 D HN 0.509 nan 8.370 nan 0.000 0.525 240 Q N 1.711 121.480 119.800 -0.050 0.000 2.172 240 Q HA 0.064 4.404 4.340 -0.000 0.000 0.217 240 Q C 1.280 177.276 176.000 -0.007 0.000 0.832 240 Q CA 0.018 55.810 55.803 -0.019 0.000 1.010 240 Q CB 0.797 29.538 28.738 0.006 0.000 1.133 240 Q HN 0.585 nan 8.270 nan 0.000 0.489 241 T N -2.331 112.223 114.554 0.000 0.000 3.035 241 T HA 0.059 4.409 4.350 -0.000 0.000 0.268 241 T C 0.990 175.693 174.700 0.006 0.000 1.109 241 T CA 0.412 62.519 62.100 0.012 0.000 1.119 241 T CB 0.275 69.161 68.868 0.029 0.000 0.900 241 T HN 0.054 nan 8.240 nan 0.000 0.503 242 R N 0.078 120.576 120.500 -0.002 0.000 2.944 242 R HA 0.469 4.809 4.340 -0.000 0.000 0.233 242 R C 1.534 177.822 176.300 -0.019 0.000 1.346 242 R CA -0.729 55.368 56.100 -0.006 0.000 1.082 242 R CB 0.743 31.043 30.300 0.000 0.000 1.434 242 R HN 0.089 nan 8.270 nan 0.000 0.510 243 E N 0.670 120.858 120.200 -0.021 0.000 2.049 243 E HA -0.170 4.180 4.350 -0.000 0.000 0.198 243 E C -0.346 176.222 176.600 -0.053 0.000 1.007 243 E CA 1.346 57.726 56.400 -0.033 0.000 0.809 243 E CB 0.109 29.794 29.700 -0.025 0.000 0.749 243 E HN 0.289 nan 8.360 nan 0.000 0.450 244 N N 0.103 118.778 118.700 -0.043 0.000 2.443 244 N HA 0.173 4.913 4.740 -0.000 0.000 0.295 244 N C -1.001 174.483 175.510 -0.043 0.000 1.076 244 N CA -0.359 52.660 53.050 -0.051 0.000 0.919 244 N CB 1.980 40.449 38.487 -0.029 0.000 1.176 244 N HN -0.153 nan 8.380 nan 0.000 0.487 245 V N 2.248 122.130 119.914 -0.053 0.000 2.572 245 V HA 0.124 4.244 4.120 -0.000 0.000 0.291 245 V C 0.483 176.569 176.094 -0.013 0.000 1.039 245 V CA -0.210 62.068 62.300 -0.037 0.000 1.055 245 V CB 0.091 31.895 31.823 -0.032 0.000 0.969 245 V HN 0.402 nan 8.190 nan 0.000 0.482 246 L N 5.533 126.740 121.223 -0.026 0.000 2.287 246 L HA 0.552 4.892 4.340 -0.000 0.000 0.287 246 L C -0.585 176.272 176.870 -0.021 0.000 1.022 246 L CA -0.365 54.475 54.840 0.000 0.000 0.814 246 L CB 1.844 43.912 42.059 0.015 0.000 1.217 246 L HN 0.407 nan 8.230 nan 0.000 0.420 247 V N 3.139 123.090 119.914 0.061 0.000 2.409 247 V HA 0.386 4.506 4.120 -0.000 0.000 0.291 247 V C -0.239 175.962 176.094 0.179 0.000 1.020 247 V CA -0.664 61.680 62.300 0.073 0.000 0.848 247 V CB 1.692 33.557 31.823 0.070 0.000 0.990 247 V HN 0.697 nan 8.190 nan 0.000 0.430 248 E N 2.797 123.104 120.200 0.177 0.000 2.195 248 E HA 0.641 4.991 4.350 -0.000 0.000 0.271 248 E C -0.301 176.411 176.600 0.187 0.000 0.923 248 E CA -0.485 56.047 56.400 0.221 0.000 0.790 248 E CB 1.902 31.758 29.700 0.261 0.000 1.155 248 E HN 0.841 nan 8.360 nan 0.000 0.402 249 T N 0.920 115.593 114.554 0.198 0.000 2.936 249 T HA 0.187 4.537 4.350 -0.000 0.000 0.282 249 T C 1.038 175.821 174.700 0.138 0.000 1.003 249 T CA -0.836 61.351 62.100 0.145 0.000 1.005 249 T CB 1.072 70.028 68.868 0.147 0.000 1.097 249 T HN 0.429 nan 8.240 nan 0.000 0.532 250 L N 1.708 122.987 121.223 0.093 0.000 2.079 250 L HA -0.056 4.284 4.340 -0.000 0.000 0.210 250 L C 1.959 178.835 176.870 0.010 0.000 1.081 250 L CA 2.188 57.076 54.840 0.080 0.000 0.752 250 L CB -1.317 40.777 42.059 0.058 0.000 0.896 250 L HN 0.931 nan 8.230 nan 0.000 0.433 251 N N -2.382 116.295 118.700 -0.037 0.000 2.501 251 N HA -0.108 4.632 4.740 -0.000 0.000 0.195 251 N C 0.176 175.602 175.510 -0.140 0.000 1.213 251 N CA 0.658 53.606 53.050 -0.170 0.000 0.864 251 N CB -0.563 37.875 38.487 -0.082 0.000 0.999 251 N HN 0.614 nan 8.380 nan 0.000 0.454 252 H N -2.906 116.178 119.070 0.024 0.000 3.415 252 H HA -0.163 4.393 4.556 0.000 0.000 0.213 252 H C -0.709 174.624 175.328 0.008 0.000 1.091 252 H CA 0.303 56.357 56.048 0.011 0.000 1.182 252 H CB -1.644 28.112 29.762 -0.010 0.000 1.160 252 H HN 0.521 nan 8.280 nan 0.000 0.319 253 E N 1.456 121.733 120.200 0.129 0.000 2.398 253 E HA 0.213 4.563 4.350 -0.000 0.000 0.263 253 E C 0.349 176.955 176.600 0.010 0.000 1.046 253 E CA 0.081 56.498 56.400 0.030 0.000 0.908 253 E CB 0.568 30.310 29.700 0.069 0.000 0.963 253 E HN 0.117 nan 8.360 nan 0.000 0.431 254 M N 2.592 122.076 119.600 -0.194 0.000 2.383 254 M HA 0.358 4.838 4.480 -0.000 0.000 0.325 254 M C -1.259 174.810 176.300 -0.385 0.000 1.092 254 M CA -0.584 54.641 55.300 -0.125 0.000 0.961 254 M CB 1.014 33.571 32.600 -0.072 0.000 1.672 254 M HN 0.446 nan 8.290 nan 0.000 0.438 255 Y N 0.118 120.434 120.300 0.026 0.000 2.425 255 Y HA 0.463 5.013 4.550 -0.000 0.000 0.344 255 Y C -0.101 175.805 175.900 0.009 0.000 0.969 255 Y CA -0.705 57.404 58.100 0.016 0.000 1.052 255 Y CB 1.882 40.351 38.460 0.014 0.000 1.215 255 Y HN 0.597 nan 8.280 nan 0.000 0.451 256 E N 1.832 122.108 120.200 0.126 0.000 2.187 256 E HA 0.851 5.201 4.350 -0.000 0.000 0.268 256 E C -1.313 175.328 176.600 0.070 0.000 0.896 256 E CA -0.716 55.725 56.400 0.068 0.000 0.766 256 E CB 1.452 31.169 29.700 0.028 0.000 1.142 256 E HN 0.764 nan 8.360 nan 0.000 0.408 257 A N 3.193 126.037 122.820 0.040 0.000 2.594 257 A HA 0.352 4.672 4.320 -0.000 0.000 0.291 257 A C -0.001 177.563 177.584 -0.032 0.000 1.105 257 A CA -0.645 51.411 52.037 0.031 0.000 0.694 257 A CB 1.430 20.466 19.000 0.060 0.000 1.291 257 A HN 0.659 nan 8.150 nan 0.000 0.410 258 K N -0.749 119.620 120.400 -0.052 0.000 2.103 258 K HA 0.075 4.395 4.320 -0.000 0.000 0.204 258 K C -0.654 175.630 176.600 -0.527 0.000 1.052 258 K CA 1.498 57.626 56.287 -0.265 0.000 0.945 258 K CB -0.081 32.313 32.500 -0.177 0.000 0.722 258 K HN 0.604 nan 8.250 nan 0.000 0.443 259 Y N -1.105 119.214 120.300 0.032 0.000 2.588 259 Y HA 0.386 4.936 4.550 0.000 0.000 0.343 259 Y C -0.612 175.312 175.900 0.040 0.000 1.065 259 Y CA -1.289 56.845 58.100 0.056 0.000 1.038 259 Y CB 1.894 40.371 38.460 0.027 0.000 1.297 259 Y HN -0.415 nan 8.280 nan 0.000 0.467 260 V N 3.208 123.259 119.914 0.228 0.000 2.735 260 V HA 0.487 4.607 4.120 -0.000 0.000 0.310 260 V C -0.647 175.494 176.094 0.079 0.000 1.061 260 V CA -0.877 61.486 62.300 0.106 0.000 0.913 260 V CB 2.128 33.981 31.823 0.052 0.000 1.005 260 V HN 0.546 nan 8.190 nan 0.000 0.428 261 I N 2.712 123.298 120.570 0.027 0.000 2.362 261 I HA 0.320 4.490 4.170 -0.000 0.000 0.289 261 I C 0.325 176.431 176.117 -0.018 0.000 0.994 261 I CA -0.180 61.115 61.300 -0.009 0.000 1.158 261 I CB 1.870 39.874 38.000 0.006 0.000 1.315 261 I HN 0.598 nan 8.210 nan 0.000 0.451 262 S N 5.424 121.082 115.700 -0.070 0.000 2.405 262 S HA 0.450 4.920 4.470 -0.000 0.000 0.291 262 S C 0.555 175.241 174.600 0.143 0.000 1.137 262 S CA -0.476 57.764 58.200 0.065 0.000 1.061 262 S CB 0.338 63.629 63.200 0.153 0.000 1.001 262 S HN 0.716 nan 8.310 nan 0.000 0.507 263 A N 5.987 128.877 122.820 0.117 0.000 2.827 263 A HA 0.442 4.762 4.320 -0.000 0.000 0.300 263 A C 0.397 178.061 177.584 0.134 0.000 1.237 263 A CA -0.693 51.419 52.037 0.125 0.000 0.964 263 A CB -0.540 18.509 19.000 0.082 0.000 1.143 263 A HN 0.904 nan 8.150 nan 0.000 0.554 264 I N -3.883 116.784 120.570 0.162 0.000 2.750 264 I HA 0.668 4.838 4.170 -0.000 0.000 0.308 264 I C -2.876 173.339 176.117 0.162 0.000 1.016 264 I CA -3.068 58.325 61.300 0.155 0.000 1.098 264 I CB 1.456 39.550 38.000 0.157 0.000 1.279 264 I HN -0.150 nan 8.210 nan 0.000 0.454 265 P HA 0.121 nan 4.420 nan 0.000 0.264 265 P C -2.172 175.182 177.300 0.090 0.000 1.183 265 P CA -0.602 62.567 63.100 0.115 0.000 0.763 265 P CB -0.035 31.720 31.700 0.092 0.000 0.807 266 P HA -0.245 nan 4.420 nan 0.000 0.215 266 P C 1.640 178.924 177.300 -0.027 0.000 1.163 266 P CA 1.962 65.067 63.100 0.008 0.000 0.894 266 P CB -0.292 31.382 31.700 -0.044 0.000 0.791 267 T N -1.344 113.167 114.554 -0.072 0.000 2.881 267 T HA -0.085 4.265 4.350 -0.000 0.000 0.270 267 T C 1.541 176.230 174.700 -0.017 0.000 1.068 267 T CA 0.780 62.828 62.100 -0.087 0.000 1.131 267 T CB -0.837 67.945 68.868 -0.144 0.000 0.871 267 T HN -0.040 nan 8.240 nan 0.000 0.479 268 L N 0.414 121.655 121.223 0.031 0.000 2.456 268 L HA 0.100 4.440 4.340 -0.000 0.000 0.224 268 L C 2.803 179.746 176.870 0.123 0.000 1.148 268 L CA 0.738 55.625 54.840 0.078 0.000 0.825 268 L CB -0.759 41.371 42.059 0.119 0.000 0.937 268 L HN 0.354 nan 8.230 nan 0.000 0.450 269 G N -0.177 108.707 108.800 0.141 0.000 2.479 269 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.220 269 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.220 269 G C 1.597 176.640 174.900 0.239 0.000 1.115 269 G CA 0.252 45.497 45.100 0.241 0.000 0.757 269 G HN 0.147 nan 8.290 nan 0.000 0.560 270 M N 0.443 120.110 119.600 0.111 0.000 2.279 270 M HA -0.001 4.479 4.480 -0.000 0.000 0.264 270 M C 2.108 178.421 176.300 0.022 0.000 1.062 270 M CA 1.009 56.341 55.300 0.053 0.000 1.099 270 M CB -0.517 32.077 32.600 -0.010 0.000 1.394 270 M HN 0.242 nan 8.290 nan 0.000 0.426 271 K N -0.068 120.368 120.400 0.060 0.000 2.525 271 K HA 0.148 4.468 4.320 -0.000 0.000 0.192 271 K C 0.393 177.041 176.600 0.079 0.000 1.029 271 K CA 0.412 56.743 56.287 0.074 0.000 1.029 271 K CB 0.167 32.745 32.500 0.130 0.000 0.814 271 K HN 0.322 nan 8.250 nan 0.000 0.503 272 I N 1.227 121.798 120.570 0.002 0.000 2.412 272 I HA 0.123 4.293 4.170 -0.000 0.000 0.296 272 I C 0.198 176.141 176.117 -0.290 0.000 0.987 272 I CA -0.750 60.453 61.300 -0.161 0.000 1.180 272 I CB 1.288 39.030 38.000 -0.429 0.000 1.340 272 I HN 0.040 nan 8.210 nan 0.000 0.455 273 H N 5.929 124.884 119.070 -0.193 0.000 2.527 273 H HA 0.353 4.909 4.556 -0.000 0.000 0.321 273 H C -1.111 174.114 175.328 -0.172 0.000 1.087 273 H CA -0.178 55.855 56.048 -0.026 0.000 1.337 273 H CB 1.191 31.029 29.762 0.128 0.000 1.440 273 H HN 0.324 nan 8.280 nan 0.000 0.490 274 F N 1.844 121.902 119.950 0.181 0.000 2.469 274 F HA 0.182 4.709 4.527 -0.000 0.000 0.332 274 F C 0.544 176.397 175.800 0.087 0.000 1.103 274 F CA -0.735 57.307 58.000 0.070 0.000 0.979 274 F CB 1.441 40.465 39.000 0.039 0.000 1.137 274 F HN 0.466 nan 8.300 nan 0.000 0.463 275 N N 4.156 122.960 118.700 0.172 0.000 2.519 275 N HA 0.399 5.139 4.740 -0.000 0.000 0.286 275 N C -3.082 172.474 175.510 0.077 0.000 1.079 275 N CA -2.285 50.848 53.050 0.138 0.000 0.878 275 N CB 2.197 40.791 38.487 0.178 0.000 1.375 275 N HN 0.062 nan 8.380 nan 0.000 0.514 276 P HA 0.321 nan 4.420 nan 0.000 0.274 276 P C -2.642 174.732 177.300 0.123 0.000 1.256 276 P CA -0.990 62.165 63.100 0.093 0.000 0.795 276 P CB -0.343 31.391 31.700 0.056 0.000 1.038 277 P HA 0.061 nan 4.420 nan 0.000 0.268 277 P C 0.131 177.444 177.300 0.022 0.000 1.208 277 P CA 0.292 63.453 63.100 0.103 0.000 0.777 277 P CB 0.162 31.904 31.700 0.069 0.000 0.875 278 L N 3.262 124.448 121.223 -0.060 0.000 2.499 278 L HA 0.109 4.449 4.340 -0.000 0.000 0.281 278 L C -1.621 175.193 176.870 -0.092 0.000 1.234 278 L CA -1.480 53.254 54.840 -0.177 0.000 0.839 278 L CB -0.744 41.122 42.059 -0.322 0.000 1.104 278 L HN 0.312 nan 8.230 nan 0.000 0.500 279 P HA -0.045 nan 4.420 nan 0.000 0.270 279 P C 0.640 177.908 177.300 -0.055 0.000 1.223 279 P CA -0.285 62.780 63.100 -0.058 0.000 0.785 279 P CB 0.440 32.105 31.700 -0.059 0.000 0.923 280 M N 1.232 120.813 119.600 -0.033 0.000 2.082 280 M HA -0.215 4.265 4.480 -0.000 0.000 0.258 280 M C 1.218 177.524 176.300 0.011 0.000 1.069 280 M CA 2.339 57.631 55.300 -0.014 0.000 1.102 280 M CB -0.419 32.176 32.600 -0.009 0.000 1.336 280 M HN 0.130 nan 8.290 nan 0.000 0.404 281 M N -0.018 119.583 119.600 0.003 0.000 2.086 281 M HA -0.143 4.337 4.480 -0.000 0.000 0.261 281 M C 2.370 178.711 176.300 0.067 0.000 1.067 281 M CA 1.863 57.202 55.300 0.066 0.000 1.116 281 M CB -1.480 31.101 32.600 -0.031 0.000 1.348 281 M HN 0.451 nan 8.290 nan 0.000 0.407 282 R N 0.332 120.800 120.500 -0.054 0.000 2.075 282 R HA -0.177 4.163 4.340 -0.000 0.000 0.232 282 R C 2.038 178.253 176.300 -0.143 0.000 1.126 282 R CA 1.793 57.812 56.100 -0.135 0.000 0.963 282 R CB -0.263 29.904 30.300 -0.221 0.000 0.858 282 R HN 0.329 nan 8.270 nan 0.000 0.435 283 N N 0.476 119.108 118.700 -0.114 0.000 2.069 283 N HA -0.245 4.495 4.740 -0.000 0.000 0.196 283 N C 1.587 177.033 175.510 -0.107 0.000 1.024 283 N CA 2.084 55.076 53.050 -0.097 0.000 0.869 283 N CB -0.016 38.437 38.487 -0.057 0.000 1.035 283 N HN 0.376 nan 8.380 nan 0.000 0.434 284 Q N -1.204 118.538 119.800 -0.097 0.000 2.163 284 Q HA -0.033 4.307 4.340 -0.000 0.000 0.198 284 Q C 1.994 177.739 176.000 -0.424 0.000 0.954 284 Q CA 0.550 56.238 55.803 -0.192 0.000 0.851 284 Q CB -0.116 28.578 28.738 -0.074 0.000 0.928 284 Q HN 0.489 nan 8.270 nan 0.000 0.459 285 M N 1.751 121.106 119.600 -0.408 0.000 2.106 285 M HA -0.174 4.306 4.480 -0.000 0.000 0.259 285 M C 2.015 178.086 176.300 -0.382 0.000 1.068 285 M CA 1.704 56.714 55.300 -0.483 0.000 1.100 285 M CB -0.491 31.997 32.600 -0.185 0.000 1.351 285 M HN 0.303 nan 8.290 nan 0.000 0.404 286 I N -1.604 118.805 120.570 -0.269 0.000 3.334 286 I HA -0.075 4.095 4.170 -0.000 0.000 0.282 286 I C 1.471 177.458 176.117 -0.216 0.000 1.313 286 I CA 1.381 62.551 61.300 -0.217 0.000 1.396 286 I CB -0.996 36.923 38.000 -0.136 0.000 1.054 286 I HN 0.326 nan 8.210 nan 0.000 0.495 287 T N -2.686 111.718 114.554 -0.251 0.000 3.069 287 T HA 0.295 4.645 4.350 -0.000 0.000 0.252 287 T C 1.494 176.025 174.700 -0.282 0.000 1.053 287 T CA -0.239 61.726 62.100 -0.225 0.000 0.964 287 T CB -0.004 68.755 68.868 -0.182 0.000 1.005 287 T HN 0.390 nan 8.240 nan 0.000 0.532 288 R N 0.916 121.190 120.500 -0.377 0.000 2.472 288 R HA 0.323 4.663 4.340 -0.000 0.000 0.279 288 R C -0.130 175.855 176.300 -0.525 0.000 0.953 288 R CA 0.031 55.877 56.100 -0.423 0.000 1.088 288 R CB 1.312 31.297 30.300 -0.524 0.000 1.197 288 R HN 0.430 nan 8.270 nan 0.000 0.536 289 V N -0.593 118.989 119.914 -0.554 0.000 2.383 289 V HA 0.470 4.590 4.120 -0.000 0.000 0.261 289 V C -2.700 173.026 176.094 -0.613 0.000 0.987 289 V CA -2.382 59.470 62.300 -0.747 0.000 0.853 289 V CB 0.744 32.066 31.823 -0.835 0.000 1.095 289 V HN -0.113 nan 8.190 nan 0.000 0.461 290 P HA 0.493 nan 4.420 nan 0.000 0.276 290 P C -0.607 176.340 177.300 -0.589 0.000 1.252 290 P CA -0.303 62.448 63.100 -0.582 0.000 0.802 290 P CB 1.765 33.108 31.700 -0.594 0.000 1.035 291 L N 0.455 121.520 121.223 -0.263 0.000 2.375 291 L HA 0.585 4.925 4.340 -0.000 0.000 0.268 291 L C 1.489 178.398 176.870 0.066 0.000 1.058 291 L CA -0.118 54.670 54.840 -0.087 0.000 0.803 291 L CB 0.374 42.424 42.059 -0.015 0.000 1.212 291 L HN 0.471 nan 8.230 nan 0.000 0.451 292 G N -0.214 108.662 108.800 0.126 0.000 2.653 292 G HA2 0.436 4.396 3.960 -0.000 0.000 0.265 292 G HA3 0.436 4.396 3.960 -0.000 0.000 0.265 292 G C -0.817 174.086 174.900 0.004 0.000 1.237 292 G CA -0.392 44.758 45.100 0.084 0.000 0.946 292 G HN 0.500 nan 8.290 nan 0.000 0.522 293 S N -1.325 114.351 115.700 -0.041 0.000 2.519 293 S HA 0.595 5.065 4.470 -0.000 0.000 0.309 293 S C -0.956 173.626 174.600 -0.030 0.000 1.100 293 S CA -0.522 57.676 58.200 -0.002 0.000 1.059 293 S CB 1.656 64.867 63.200 0.019 0.000 1.008 293 S HN 0.758 nan 8.310 nan 0.000 0.478 294 V N 4.802 124.749 119.914 0.056 0.000 3.000 294 V HA 0.560 4.680 4.120 -0.000 0.000 0.300 294 V C -1.915 174.337 176.094 0.264 0.000 1.251 294 V CA -0.766 61.600 62.300 0.111 0.000 0.972 294 V CB 1.774 33.594 31.823 -0.006 0.000 1.065 294 V HN 0.877 nan 8.190 nan 0.000 0.431 295 I N 5.361 126.097 120.570 0.277 0.000 2.362 295 I HA 0.525 4.695 4.170 -0.000 0.000 0.289 295 I C -0.225 176.136 176.117 0.406 0.000 0.994 295 I CA -0.584 60.900 61.300 0.307 0.000 1.158 295 I CB 1.678 39.798 38.000 0.201 0.000 1.315 295 I HN 0.505 nan 8.210 nan 0.000 0.451 296 K N 6.004 126.679 120.400 0.458 0.000 2.234 296 K HA 0.582 4.902 4.320 -0.000 0.000 0.277 296 K C -1.454 175.276 176.600 0.217 0.000 1.038 296 K CA -0.309 56.230 56.287 0.420 0.000 0.888 296 K CB 0.943 33.757 32.500 0.523 0.000 1.091 296 K HN 0.705 nan 8.250 nan 0.000 0.467 297 C N 5.412 124.797 119.300 0.143 0.000 2.441 297 C HA 0.567 5.027 4.460 -0.000 0.000 0.318 297 C C -0.834 174.201 174.990 0.075 0.000 1.222 297 C CA -1.053 58.035 59.018 0.117 0.000 1.474 297 C CB 0.043 27.959 27.740 0.292 0.000 2.125 297 C HN 0.737 nan 8.230 nan 0.000 0.479 298 I N 3.200 123.763 120.570 -0.012 0.000 2.410 298 I HA 0.415 4.585 4.170 -0.000 0.000 0.286 298 I C -0.269 175.845 176.117 -0.005 0.000 1.009 298 I CA -0.121 61.134 61.300 -0.075 0.000 1.111 298 I CB 1.431 39.339 38.000 -0.154 0.000 1.262 298 I HN 0.341 nan 8.210 nan 0.000 0.443 299 V N 6.802 126.720 119.914 0.006 0.000 2.370 299 V HA 0.375 4.495 4.120 -0.000 0.000 0.279 299 V C -0.610 175.319 176.094 -0.275 0.000 1.029 299 V CA -0.699 61.624 62.300 0.038 0.000 0.870 299 V CB 0.775 32.669 31.823 0.118 0.000 0.984 299 V HN 0.406 nan 8.190 nan 0.000 0.451 300 Y N 4.247 124.508 120.300 -0.065 0.000 2.334 300 Y HA 0.646 5.196 4.550 -0.000 0.000 0.328 300 Y C -0.204 175.581 175.900 -0.192 0.000 1.130 300 Y CA -0.288 57.819 58.100 0.012 0.000 1.163 300 Y CB 1.241 39.803 38.460 0.170 0.000 1.207 300 Y HN 0.532 nan 8.280 nan 0.000 0.471 301 Y N -0.025 120.522 120.300 0.412 0.000 2.634 301 Y HA 0.289 4.839 4.550 -0.000 0.000 0.340 301 Y C 1.150 177.200 175.900 0.250 0.000 1.058 301 Y CA -1.382 56.935 58.100 0.362 0.000 1.081 301 Y CB 1.818 40.590 38.460 0.520 0.000 1.295 301 Y HN 0.491 nan 8.280 nan 0.000 0.487 302 K N 0.367 120.990 120.400 0.372 0.000 2.057 302 K HA -0.054 4.266 4.320 -0.000 0.000 0.207 302 K C -0.543 176.135 176.600 0.129 0.000 1.049 302 K CA 1.648 58.047 56.287 0.187 0.000 0.931 302 K CB 0.206 32.785 32.500 0.131 0.000 0.714 302 K HN 0.744 nan 8.250 nan 0.000 0.440 303 E N -0.793 119.500 120.200 0.154 0.000 2.408 303 E HA 0.213 4.563 4.350 -0.000 0.000 0.275 303 E C -2.680 173.802 176.600 -0.197 0.000 0.935 303 E CA -2.301 54.096 56.400 -0.004 0.000 0.775 303 E CB 2.255 31.937 29.700 -0.029 0.000 1.277 303 E HN -0.037 nan 8.360 nan 0.000 0.455 304 P HA 0.035 nan 4.420 nan 0.000 0.230 304 P C 0.170 176.507 177.300 -1.606 0.000 1.791 304 P CA -0.013 62.152 63.100 -1.558 0.000 1.020 304 P CB -0.866 30.242 31.700 -0.986 0.000 1.977 305 F N -0.097 119.284 119.950 -0.948 0.000 2.333 305 F HA -0.087 4.440 4.527 -0.000 0.000 0.300 305 F C 1.730 177.359 175.800 -0.285 0.000 1.083 305 F CA -0.132 57.606 58.000 -0.436 0.000 1.395 305 F CB -1.649 37.227 39.000 -0.207 0.000 1.056 305 F HN 0.116 nan 8.300 nan 0.000 0.529 306 W N 1.382 122.358 121.300 -0.541 0.000 2.374 306 W HA 0.031 4.691 4.660 -0.000 0.000 0.288 306 W C 1.997 178.475 176.519 -0.068 0.000 1.218 306 W CA 0.854 58.078 57.345 -0.201 0.000 1.245 306 W CB -1.100 28.175 29.460 -0.309 0.000 1.126 306 W HN -0.135 nan 8.180 nan 0.000 0.545 307 R N 1.227 121.520 120.500 -0.345 0.000 2.120 307 R HA -0.072 4.268 4.340 -0.000 0.000 0.234 307 R C 2.034 178.253 176.300 -0.136 0.000 1.123 307 R CA 1.653 57.647 56.100 -0.177 0.000 0.975 307 R CB -0.464 29.664 30.300 -0.286 0.000 0.866 307 R HN 0.279 nan 8.270 nan 0.000 0.446 308 K N 0.770 121.082 120.400 -0.146 0.000 2.209 308 K HA -0.117 4.203 4.320 -0.000 0.000 0.204 308 K C 1.356 177.893 176.600 -0.106 0.000 1.048 308 K CA 1.075 57.303 56.287 -0.097 0.000 0.940 308 K CB 0.067 32.530 32.500 -0.061 0.000 0.729 308 K HN 0.134 nan 8.250 nan 0.000 0.451 309 K N 0.721 121.036 120.400 -0.143 0.000 2.410 309 K HA -0.021 4.299 4.320 -0.000 0.000 0.200 309 K C -0.471 175.812 176.600 -0.529 0.000 1.023 309 K CA 0.087 56.185 56.287 -0.316 0.000 1.149 309 K CB 0.380 32.664 32.500 -0.360 0.000 0.859 309 K HN 0.008 nan 8.250 nan 0.000 0.514 310 D N 0.382 120.612 120.400 -0.283 0.000 2.800 310 D HA -0.209 4.431 4.640 -0.000 0.000 0.232 310 D C -1.426 174.793 176.300 -0.136 0.000 1.137 310 D CA 0.875 54.763 54.000 -0.186 0.000 0.718 310 D CB -1.502 39.206 40.800 -0.152 0.000 1.084 310 D HN 0.344 nan 8.370 nan 0.000 0.432 311 Y N -0.721 119.616 120.300 0.062 0.000 2.335 311 Y HA 0.307 4.857 4.550 -0.000 0.000 0.338 311 Y C 2.066 178.047 175.900 0.135 0.000 0.977 311 Y CA -0.951 57.188 58.100 0.064 0.000 1.114 311 Y CB 1.241 39.749 38.460 0.080 0.000 1.182 311 Y HN 0.248 nan 8.280 nan 0.000 0.463 312 C N -0.723 118.698 119.300 0.201 0.000 2.448 312 C HA 0.379 4.839 4.460 -0.000 0.000 0.280 312 C C 1.748 176.804 174.990 0.110 0.000 1.398 312 C CA 0.739 59.851 59.018 0.158 0.000 1.774 312 C CB -0.953 26.803 27.740 0.027 0.000 1.888 312 C HN 1.220 nan 8.230 nan 0.000 0.519 313 G N -0.547 108.154 108.800 -0.165 0.000 2.229 313 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.189 313 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.189 313 G C -0.011 174.554 174.900 -0.558 0.000 1.000 313 G CA 0.145 44.830 45.100 -0.690 0.000 0.663 313 G HN 0.554 nan 8.290 nan 0.000 0.493 314 T N 2.262 116.589 114.554 -0.377 0.000 2.794 314 T HA 0.638 4.988 4.350 -0.000 0.000 0.296 314 T C 0.273 174.777 174.700 -0.327 0.000 0.949 314 T CA 0.560 62.422 62.100 -0.396 0.000 1.101 314 T CB 0.925 69.617 68.868 -0.293 0.000 0.905 314 T HN 0.284 nan 8.240 nan 0.000 0.516 315 M N 3.947 123.342 119.600 -0.342 0.000 2.327 315 M HA 0.492 4.972 4.480 -0.000 0.000 0.298 315 M C -0.933 175.385 176.300 0.031 0.000 1.065 315 M CA -0.568 54.650 55.300 -0.138 0.000 0.916 315 M CB 2.229 34.717 32.600 -0.187 0.000 1.630 315 M HN 0.415 nan 8.290 nan 0.000 0.442 316 I N 4.759 125.495 120.570 0.275 0.000 2.354 316 I HA 0.450 4.620 4.170 -0.000 0.000 0.286 316 I C -0.874 175.516 176.117 0.454 0.000 1.007 316 I CA -0.292 61.275 61.300 0.445 0.000 1.167 316 I CB 0.874 39.171 38.000 0.494 0.000 1.320 316 I HN 0.605 nan 8.210 nan 0.000 0.458 317 I N 5.207 125.998 120.570 0.368 0.000 2.420 317 I HA 0.306 4.476 4.170 -0.000 0.000 0.282 317 I C -0.555 175.739 176.117 0.295 0.000 1.019 317 I CA -0.506 60.984 61.300 0.317 0.000 1.130 317 I CB 1.364 39.490 38.000 0.211 0.000 1.262 317 I HN 0.441 nan 8.210 nan 0.000 0.454 318 D N 4.696 125.268 120.400 0.288 0.000 2.225 318 D HA 0.723 5.363 4.640 -0.000 0.000 0.249 318 D C 0.038 176.449 176.300 0.185 0.000 1.052 318 D CA 0.339 54.475 54.000 0.227 0.000 0.909 318 D CB 2.015 42.942 40.800 0.212 0.000 1.186 318 D HN 0.808 nan 8.370 nan 0.000 0.431 319 G N 2.366 111.257 108.800 0.152 0.000 2.627 319 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.680 319 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.680 319 G C 0.400 175.374 174.900 0.124 0.000 1.341 319 G CA -0.067 45.108 45.100 0.126 0.000 0.835 319 G HN 0.402 nan 8.290 nan 0.000 0.643 320 E N 0.380 120.647 120.200 0.111 0.000 2.204 320 E HA -0.071 4.279 4.350 -0.000 0.000 0.195 320 E C 2.121 178.783 176.600 0.104 0.000 0.990 320 E CA 2.445 58.920 56.400 0.125 0.000 0.821 320 E CB 0.092 29.858 29.700 0.111 0.000 0.750 320 E HN 0.668 nan 8.360 nan 0.000 0.477 321 E N 0.162 120.415 120.200 0.088 0.000 2.216 321 E HA 0.106 4.456 4.350 -0.000 0.000 0.192 321 E C 0.409 177.044 176.600 0.058 0.000 0.988 321 E CA 0.830 57.271 56.400 0.069 0.000 0.834 321 E CB -0.279 29.461 29.700 0.066 0.000 0.772 321 E HN 0.257 nan 8.360 nan 0.000 0.479 322 A N 2.791 125.657 122.820 0.076 0.000 2.444 322 A HA 0.181 4.501 4.320 -0.000 0.000 0.273 322 A C -1.395 176.220 177.584 0.051 0.000 1.136 322 A CA -1.186 50.890 52.037 0.065 0.000 0.799 322 A CB 0.160 19.223 19.000 0.105 0.000 1.081 322 A HN -0.012 nan 8.150 nan 0.000 0.509 323 P HA -0.066 nan 4.420 nan 0.000 0.217 323 P C 0.285 177.620 177.300 0.059 0.000 1.150 323 P CA 1.056 64.164 63.100 0.015 0.000 0.832 323 P CB 0.084 31.774 31.700 -0.017 0.000 0.787 324 V N 0.094 120.064 119.914 0.093 0.000 2.417 324 V HA 0.469 4.589 4.120 -0.000 0.000 0.291 324 V C 1.141 177.361 176.094 0.209 0.000 1.024 324 V CA -0.095 62.310 62.300 0.176 0.000 0.861 324 V CB 1.304 33.261 31.823 0.224 0.000 0.985 324 V HN -0.013 nan 8.190 nan 0.000 0.436 325 A N 4.536 127.510 122.820 0.257 0.000 2.220 325 A HA 0.335 4.655 4.320 -0.000 0.000 0.211 325 A C 0.122 177.944 177.584 0.396 0.000 1.176 325 A CA 0.516 52.725 52.037 0.286 0.000 0.834 325 A CB 0.189 19.340 19.000 0.251 0.000 0.868 325 A HN 0.746 nan 8.150 nan 0.000 0.488 326 Y N -0.173 120.261 120.300 0.224 0.000 2.482 326 Y HA 0.469 5.019 4.550 -0.000 0.000 0.334 326 Y C -0.439 175.517 175.900 0.093 0.000 1.091 326 Y CA -0.445 57.771 58.100 0.193 0.000 1.027 326 Y CB 1.547 40.181 38.460 0.291 0.000 1.306 326 Y HN 0.124 nan 8.280 nan 0.000 0.446 327 T N 3.888 118.141 114.554 -0.501 0.000 2.906 327 T HA 0.872 5.222 4.350 -0.000 0.000 0.295 327 T C -1.549 172.692 174.700 -0.766 0.000 1.075 327 T CA -0.806 60.966 62.100 -0.546 0.000 1.005 327 T CB 1.841 70.383 68.868 -0.543 0.000 1.136 327 T HN 0.612 nan 8.240 nan 0.000 0.498 328 L N 1.050 121.951 121.223 -0.537 0.000 2.393 328 L HA 0.505 4.845 4.340 -0.000 0.000 0.260 328 L C -0.622 176.041 176.870 -0.344 0.000 1.002 328 L CA -1.265 53.322 54.840 -0.423 0.000 0.818 328 L CB 2.227 44.109 42.059 -0.294 0.000 1.369 328 L HN 0.747 nan 8.230 nan 0.000 0.412 329 D N 0.845 121.079 120.400 -0.278 0.000 2.450 329 D HA -0.041 4.599 4.640 -0.000 0.000 0.247 329 D C -0.298 176.008 176.300 0.011 0.000 1.162 329 D CA 0.644 54.559 54.000 -0.142 0.000 0.879 329 D CB 1.199 42.041 40.800 0.069 0.000 1.163 329 D HN 0.520 nan 8.370 nan 0.000 0.472 330 D N 1.700 122.118 120.400 0.031 0.000 2.501 330 D HA 0.074 4.714 4.640 -0.000 0.000 0.224 330 D C -0.383 175.999 176.300 0.137 0.000 1.202 330 D CA -0.171 53.876 54.000 0.079 0.000 0.829 330 D CB 0.400 41.187 40.800 -0.023 0.000 1.023 330 D HN 0.232 nan 8.370 nan 0.000 0.499 331 T N 1.651 116.326 114.554 0.203 0.000 2.946 331 T HA -0.005 4.345 4.350 -0.000 0.000 0.312 331 T C 0.553 175.333 174.700 0.133 0.000 1.066 331 T CA -0.019 62.201 62.100 0.200 0.000 1.138 331 T CB 0.734 69.727 68.868 0.208 0.000 1.014 331 T HN -0.064 nan 8.240 nan 0.000 0.544 332 K N 3.838 124.281 120.400 0.072 0.000 2.276 332 K HA 0.092 4.412 4.320 -0.000 0.000 0.259 332 K C -1.389 175.109 176.600 -0.169 0.000 1.001 332 K CA -1.991 54.241 56.287 -0.092 0.000 0.927 332 K CB 0.155 32.633 32.500 -0.036 0.000 0.969 332 K HN 0.330 nan 8.250 nan 0.000 0.490 333 P HA -0.094 nan 4.420 nan 0.000 0.222 333 P C 0.275 177.506 177.300 -0.115 0.000 1.147 333 P CA 1.190 64.092 63.100 -0.329 0.000 0.790 333 P CB 0.358 31.741 31.700 -0.530 0.000 0.780 334 E N -0.720 119.432 120.200 -0.080 0.000 2.418 334 E HA 0.115 4.465 4.350 -0.000 0.000 0.197 334 E C 1.609 178.204 176.600 -0.008 0.000 1.026 334 E CA 1.065 57.453 56.400 -0.020 0.000 0.862 334 E CB -0.832 28.878 29.700 0.016 0.000 0.799 334 E HN 0.317 nan 8.360 nan 0.000 0.518 335 G N 0.544 109.342 108.800 -0.004 0.000 2.176 335 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.232 335 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.232 335 G C 0.111 175.014 174.900 0.004 0.000 0.986 335 G CA 0.200 45.297 45.100 -0.005 0.000 0.643 335 G HN 0.364 nan 8.290 nan 0.000 0.522 336 N N -0.648 118.076 118.700 0.041 0.000 2.530 336 N HA 0.535 5.275 4.740 -0.000 0.000 0.283 336 N C 0.498 176.116 175.510 0.180 0.000 1.238 336 N CA -0.833 52.228 53.050 0.019 0.000 0.971 336 N CB 0.037 38.464 38.487 -0.100 0.000 1.195 336 N HN 0.615 nan 8.380 nan 0.000 0.583 337 Y N -2.727 117.610 120.300 0.061 0.000 3.168 337 Y HA -0.171 4.379 4.550 -0.000 0.000 0.207 337 Y C 0.549 176.593 175.900 0.239 0.000 1.280 337 Y CA 0.311 58.499 58.100 0.148 0.000 1.235 337 Y CB -2.314 36.194 38.460 0.080 0.000 1.370 337 Y HN 0.762 nan 8.280 nan 0.000 0.537 338 A N 0.346 123.336 122.820 0.284 0.000 2.584 338 A HA 0.530 4.850 4.320 -0.000 0.000 0.239 338 A C 0.739 178.579 177.584 0.426 0.000 1.043 338 A CA 0.675 52.894 52.037 0.302 0.000 0.756 338 A CB 0.042 19.155 19.000 0.189 0.000 0.963 338 A HN 1.461 nan 8.150 nan 0.000 0.511 339 A N 2.694 125.759 122.820 0.409 0.000 2.604 339 A HA 0.657 4.977 4.320 -0.000 0.000 0.295 339 A C -0.939 176.641 177.584 -0.008 0.000 1.067 339 A CA -0.540 51.552 52.037 0.092 0.000 0.683 339 A CB 1.032 19.788 19.000 -0.408 0.000 1.281 339 A HN 0.713 nan 8.150 nan 0.000 0.407 340 I N 2.449 122.916 120.570 -0.172 0.000 2.406 340 I HA 0.358 4.528 4.170 -0.000 0.000 0.290 340 I C -0.209 175.756 176.117 -0.254 0.000 0.999 340 I CA -0.375 60.695 61.300 -0.384 0.000 1.124 340 I CB 1.645 39.273 38.000 -0.621 0.000 1.289 340 I HN 0.741 nan 8.210 nan 0.000 0.441 341 M N 5.617 125.062 119.600 -0.258 0.000 2.188 341 M HA 0.596 5.076 4.480 -0.000 0.000 0.357 341 M C -0.314 175.832 176.300 -0.256 0.000 1.204 341 M CA -0.082 55.094 55.300 -0.207 0.000 1.095 341 M CB 1.112 33.609 32.600 -0.170 0.000 1.604 341 M HN 0.722 nan 8.290 nan 0.000 0.464 342 G N 4.471 113.177 108.800 -0.156 0.000 2.612 342 G HA2 0.681 4.641 3.960 -0.000 0.000 0.298 342 G HA3 0.681 4.641 3.960 -0.000 0.000 0.298 342 G C -1.954 172.904 174.900 -0.070 0.000 1.336 342 G CA -0.559 44.489 45.100 -0.086 0.000 0.953 342 G HN 0.661 nan 8.290 nan 0.000 0.482 343 F N 0.571 120.671 119.950 0.251 0.000 2.436 343 F HA 0.508 5.035 4.527 -0.000 0.000 0.340 343 F C 0.541 176.455 175.800 0.191 0.000 1.113 343 F CA -0.749 57.399 58.000 0.246 0.000 1.022 343 F CB 2.152 41.327 39.000 0.293 0.000 1.128 343 F HN 0.044 nan 8.300 nan 0.000 0.466 344 I N 5.155 125.941 120.570 0.358 0.000 2.312 344 I HA 0.300 4.470 4.170 -0.000 0.000 0.290 344 I C -0.721 175.487 176.117 0.152 0.000 1.008 344 I CA -0.379 61.044 61.300 0.204 0.000 1.226 344 I CB 0.992 39.079 38.000 0.145 0.000 1.371 344 I HN 0.383 nan 8.210 nan 0.000 0.468 345 L N 6.362 127.632 121.223 0.078 0.000 2.334 345 L HA 0.727 5.067 4.340 -0.000 0.000 0.276 345 L C 0.892 177.728 176.870 -0.056 0.000 1.014 345 L CA -0.241 54.605 54.840 0.011 0.000 0.815 345 L CB 1.586 43.660 42.059 0.025 0.000 1.268 345 L HN 0.910 nan 8.230 nan 0.000 0.428 346 A N 2.066 124.848 122.820 -0.064 0.000 5.308 346 A HA -0.365 3.955 4.320 -0.000 0.000 0.321 346 A C 1.687 179.265 177.584 -0.011 0.000 1.849 346 A CA 1.541 53.548 52.037 -0.049 0.000 0.713 346 A CB -1.608 17.360 19.000 -0.054 0.000 1.360 346 A HN 1.098 nan 8.150 nan 0.000 0.384 347 H N 1.037 120.097 119.070 -0.017 0.000 2.457 347 H HA -0.046 4.510 4.556 -0.000 0.000 0.297 347 H C 1.663 177.008 175.328 0.028 0.000 1.092 347 H CA 1.901 57.956 56.048 0.013 0.000 1.309 347 H CB -0.385 29.392 29.762 0.026 0.000 1.382 347 H HN 0.740 nan 8.280 nan 0.000 0.535 348 K N 0.743 120.787 120.400 -0.593 0.000 2.148 348 K HA 0.064 4.384 4.320 -0.000 0.000 0.204 348 K C 2.634 179.169 176.600 -0.107 0.000 1.050 348 K CA 0.890 56.961 56.287 -0.361 0.000 0.942 348 K CB 0.014 32.324 32.500 -0.318 0.000 0.724 348 K HN 0.314 nan 8.250 nan 0.000 0.446 349 A N 1.718 124.505 122.820 -0.055 0.000 1.883 349 A HA -0.218 4.102 4.320 -0.000 0.000 0.217 349 A C 2.116 179.713 177.584 0.021 0.000 1.186 349 A CA 1.609 53.656 52.037 0.016 0.000 0.624 349 A CB -0.406 18.617 19.000 0.039 0.000 0.822 349 A HN 0.132 nan 8.150 nan 0.000 0.444 350 R N -0.271 120.241 120.500 0.021 0.000 2.080 350 R HA -0.119 4.221 4.340 -0.000 0.000 0.236 350 R C 2.382 178.702 176.300 0.033 0.000 1.137 350 R CA 1.949 58.071 56.100 0.036 0.000 0.943 350 R CB -0.358 29.977 30.300 0.057 0.000 0.846 350 R HN 0.664 nan 8.270 nan 0.000 0.431 351 K N 0.588 121.006 120.400 0.030 0.000 2.009 351 K HA -0.138 4.182 4.320 -0.000 0.000 0.210 351 K C 1.720 178.332 176.600 0.021 0.000 1.049 351 K CA 1.553 57.860 56.287 0.033 0.000 0.929 351 K CB -0.117 32.408 32.500 0.041 0.000 0.714 351 K HN 0.165 nan 8.250 nan 0.000 0.440 352 L N 0.383 121.612 121.223 0.011 0.000 2.492 352 L HA 0.047 4.387 4.340 -0.000 0.000 0.223 352 L C 2.366 179.251 176.870 0.026 0.000 1.132 352 L CA 0.382 55.231 54.840 0.016 0.000 0.850 352 L CB -0.250 41.817 42.059 0.013 0.000 0.966 352 L HN 0.256 nan 8.230 nan 0.000 0.454 353 A N 0.474 123.311 122.820 0.029 0.000 2.070 353 A HA -0.175 4.145 4.320 -0.000 0.000 0.220 353 A C 2.333 179.931 177.584 0.023 0.000 1.159 353 A CA 1.141 53.196 52.037 0.031 0.000 0.656 353 A CB -0.401 18.617 19.000 0.030 0.000 0.800 353 A HN 0.359 nan 8.150 nan 0.000 0.453 354 R N -0.730 119.783 120.500 0.020 0.000 2.189 354 R HA 0.096 4.436 4.340 -0.000 0.000 0.223 354 R C 0.235 176.543 176.300 0.014 0.000 1.092 354 R CA 0.202 56.311 56.100 0.016 0.000 0.989 354 R CB -0.380 29.929 30.300 0.016 0.000 0.876 354 R HN 0.446 nan 8.270 nan 0.000 0.457 355 L N 0.633 121.866 121.223 0.016 0.000 2.475 355 L HA 0.104 4.444 4.340 -0.000 0.000 0.253 355 L C 1.077 177.957 176.870 0.017 0.000 1.198 355 L CA -0.422 54.425 54.840 0.012 0.000 0.814 355 L CB 0.486 42.549 42.059 0.008 0.000 1.134 355 L HN 0.135 nan 8.230 nan 0.000 0.478 356 T N -2.729 111.833 114.554 0.013 0.000 2.816 356 T HA 0.114 4.464 4.350 -0.000 0.000 0.282 356 T C 0.885 175.606 174.700 0.035 0.000 0.993 356 T CA -0.644 61.469 62.100 0.021 0.000 0.994 356 T CB 1.253 70.129 68.868 0.013 0.000 1.025 356 T HN 0.673 nan 8.240 nan 0.000 0.529 357 K N 0.298 120.735 120.400 0.061 0.000 2.063 357 K HA -0.203 4.117 4.320 -0.000 0.000 0.208 357 K C 1.937 178.571 176.600 0.056 0.000 1.048 357 K CA 1.881 58.243 56.287 0.125 0.000 0.928 357 K CB -0.207 32.382 32.500 0.147 0.000 0.713 357 K HN 0.689 nan 8.250 nan 0.000 0.442 358 E N 0.727 120.934 120.200 0.012 0.000 2.106 358 E HA -0.151 4.199 4.350 -0.000 0.000 0.192 358 E C 1.791 178.342 176.600 -0.082 0.000 0.984 358 E CA 1.432 57.806 56.400 -0.043 0.000 0.806 358 E CB 0.037 29.725 29.700 -0.019 0.000 0.750 358 E HN 0.411 nan 8.360 nan 0.000 0.458 359 E N 0.185 120.355 120.200 -0.050 0.000 2.106 359 E HA -0.112 4.238 4.350 -0.000 0.000 0.192 359 E C 2.133 178.682 176.600 -0.085 0.000 0.984 359 E CA 0.663 57.029 56.400 -0.055 0.000 0.806 359 E CB -0.022 29.662 29.700 -0.027 0.000 0.750 359 E HN 0.125 nan 8.360 nan 0.000 0.458 360 R N 0.351 120.805 120.500 -0.077 0.000 2.075 360 R HA -0.132 4.208 4.340 -0.000 0.000 0.232 360 R C 2.495 178.637 176.300 -0.263 0.000 1.126 360 R CA 0.837 56.878 56.100 -0.098 0.000 0.963 360 R CB -0.370 29.940 30.300 0.017 0.000 0.858 360 R HN 0.122 nan 8.270 nan 0.000 0.435 361 L N 1.797 122.735 121.223 -0.474 0.000 2.012 361 L HA -0.227 4.113 4.340 -0.000 0.000 0.210 361 L C 2.220 178.870 176.870 -0.368 0.000 1.073 361 L CA 1.922 56.332 54.840 -0.717 0.000 0.748 361 L CB -0.458 41.127 42.059 -0.789 0.000 0.891 361 L HN 0.008 nan 8.230 nan 0.000 0.431 362 K N -0.493 119.766 120.400 -0.235 0.000 2.032 362 K HA -0.231 4.089 4.320 -0.000 0.000 0.209 362 K C 2.199 178.710 176.600 -0.149 0.000 1.048 362 K CA 1.808 58.005 56.287 -0.149 0.000 0.927 362 K CB -0.107 32.335 32.500 -0.097 0.000 0.712 362 K HN 0.356 nan 8.250 nan 0.000 0.441 363 K N 0.193 120.502 120.400 -0.153 0.000 2.057 363 K HA -0.153 4.167 4.320 -0.000 0.000 0.207 363 K C 2.116 178.579 176.600 -0.229 0.000 1.049 363 K CA 1.171 57.372 56.287 -0.144 0.000 0.931 363 K CB -0.109 32.326 32.500 -0.107 0.000 0.714 363 K HN 0.059 nan 8.250 nan 0.000 0.440 364 L N 0.722 121.751 121.223 -0.323 0.000 2.056 364 L HA -0.191 4.149 4.340 -0.000 0.000 0.207 364 L C 2.444 178.866 176.870 -0.746 0.000 1.078 364 L CA 1.483 55.954 54.840 -0.614 0.000 0.749 364 L CB -0.678 41.054 42.059 -0.545 0.000 0.901 364 L HN 0.225 nan 8.230 nan 0.000 0.433 365 C N -0.729 118.364 119.300 -0.345 0.000 2.429 365 C HA -0.144 4.316 4.460 -0.000 0.000 0.277 365 C C 2.644 177.603 174.990 -0.053 0.000 1.262 365 C CA 0.537 59.505 59.018 -0.084 0.000 1.733 365 C CB -0.740 27.008 27.740 0.013 0.000 2.010 365 C HN 0.547 nan 8.230 nan 0.000 0.483 366 E N 0.319 120.460 120.200 -0.099 0.000 2.106 366 E HA -0.199 4.151 4.350 -0.000 0.000 0.192 366 E C 1.993 178.559 176.600 -0.056 0.000 0.984 366 E CA 0.868 57.237 56.400 -0.053 0.000 0.806 366 E CB -0.243 29.425 29.700 -0.052 0.000 0.750 366 E HN 0.513 nan 8.360 nan 0.000 0.458 367 L N 0.379 121.523 121.223 -0.132 0.000 1.994 367 L HA -0.207 4.133 4.340 -0.000 0.000 0.208 367 L C 2.003 178.881 176.870 0.014 0.000 1.071 367 L CA 1.758 56.534 54.840 -0.106 0.000 0.745 367 L CB -0.637 41.321 42.059 -0.168 0.000 0.892 367 L HN 0.204 nan 8.230 nan 0.000 0.431 368 Y N -0.620 119.664 120.300 -0.027 0.000 2.181 368 Y HA -0.257 4.293 4.550 -0.000 0.000 0.288 368 Y C 2.561 178.469 175.900 0.014 0.000 1.146 368 Y CA 0.377 58.465 58.100 -0.020 0.000 1.164 368 Y CB -0.585 37.905 38.460 0.049 0.000 0.982 368 Y HN 0.392 nan 8.280 nan 0.000 0.515 369 A N 0.520 123.455 122.820 0.191 0.000 1.908 369 A HA -0.254 4.066 4.320 -0.000 0.000 0.218 369 A C 2.153 179.786 177.584 0.082 0.000 1.181 369 A CA 1.981 54.093 52.037 0.125 0.000 0.627 369 A CB -0.626 18.420 19.000 0.076 0.000 0.818 369 A HN 0.381 nan 8.150 nan 0.000 0.445 370 K N -0.590 119.836 120.400 0.043 0.000 2.026 370 K HA -0.091 4.229 4.320 -0.000 0.000 0.208 370 K C 1.905 178.501 176.600 -0.007 0.000 1.048 370 K CA 1.629 57.929 56.287 0.021 0.000 0.929 370 K CB -0.271 32.225 32.500 -0.007 0.000 0.713 370 K HN 0.287 nan 8.250 nan 0.000 0.439 371 V N 1.464 121.316 119.914 -0.104 0.000 2.358 371 V HA -0.203 3.917 4.120 -0.000 0.000 0.246 371 V C 2.059 178.097 176.094 -0.094 0.000 1.047 371 V CA 1.446 63.630 62.300 -0.193 0.000 1.035 371 V CB -0.270 31.384 31.823 -0.280 0.000 0.658 371 V HN 0.306 nan 8.190 nan 0.000 0.452 372 L N 0.447 121.653 121.223 -0.029 0.000 2.554 372 L HA 0.254 4.594 4.340 -0.000 0.000 0.226 372 L C 1.660 178.659 176.870 0.215 0.000 1.137 372 L CA 0.706 55.572 54.840 0.043 0.000 0.863 372 L CB -0.763 41.409 42.059 0.188 0.000 0.985 372 L HN 0.550 nan 8.230 nan 0.000 0.451 373 G N 0.786 109.672 108.800 0.142 0.000 2.356 373 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.296 373 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.296 373 G C -0.011 174.974 174.900 0.141 0.000 1.022 373 G CA 0.531 45.715 45.100 0.140 0.000 0.961 373 G HN 0.344 nan 8.290 nan 0.000 0.510 374 S N -0.690 115.089 115.700 0.131 0.000 2.779 374 S HA 0.428 4.898 4.470 -0.000 0.000 0.293 374 S C 1.294 175.881 174.600 -0.022 0.000 1.150 374 S CA -0.725 57.523 58.200 0.080 0.000 1.057 374 S CB 1.534 64.863 63.200 0.215 0.000 1.021 374 S HN 0.269 nan 8.310 nan 0.000 0.485 375 L N 2.126 123.314 121.223 -0.059 0.000 2.187 375 L HA -0.162 4.178 4.340 -0.000 0.000 0.213 375 L C 2.289 179.057 176.870 -0.170 0.000 1.100 375 L CA 1.357 56.150 54.840 -0.078 0.000 0.765 375 L CB -0.380 41.645 42.059 -0.057 0.000 0.904 375 L HN 0.685 nan 8.230 nan 0.000 0.437 376 E N 0.329 120.303 120.200 -0.377 0.000 2.171 376 E HA -0.248 4.102 4.350 -0.000 0.000 0.197 376 E C 2.236 178.484 176.600 -0.587 0.000 0.997 376 E CA 1.101 57.115 56.400 -0.643 0.000 0.810 376 E CB -0.205 28.742 29.700 -1.255 0.000 0.738 376 E HN 0.545 nan 8.360 nan 0.000 0.467 377 A N 0.823 123.380 122.820 -0.438 0.000 2.125 377 A HA -0.110 4.210 4.320 -0.000 0.000 0.219 377 A C 1.927 179.697 177.584 0.311 0.000 1.156 377 A CA 0.800 52.878 52.037 0.068 0.000 0.671 377 A CB -0.347 18.824 19.000 0.286 0.000 0.794 377 A HN 0.166 nan 8.150 nan 0.000 0.459 378 L N -1.288 120.014 121.223 0.131 0.000 2.591 378 L HA 0.121 4.461 4.340 -0.000 0.000 0.228 378 L C 0.415 177.370 176.870 0.142 0.000 1.133 378 L CA 0.271 55.184 54.840 0.121 0.000 0.880 378 L CB 0.007 42.092 42.059 0.044 0.000 1.033 378 L HN 0.223 nan 8.230 nan 0.000 0.450 379 E N 0.873 121.209 120.200 0.226 0.000 3.588 379 E HA 0.185 4.535 4.350 -0.000 0.000 0.213 379 E C -2.248 174.526 176.600 0.290 0.000 1.168 379 E CA -1.727 54.791 56.400 0.197 0.000 1.254 379 E CB 0.659 30.427 29.700 0.113 0.000 1.302 379 E HN 0.056 nan 8.360 nan 0.000 0.429 380 P HA -0.034 nan 4.420 nan 0.000 0.271 380 P C 0.780 178.112 177.300 0.053 0.000 1.218 380 P CA -0.050 63.011 63.100 -0.066 0.000 0.780 380 P CB 1.686 33.303 31.700 -0.138 0.000 0.901 381 V N -1.602 118.365 119.914 0.087 0.000 3.565 381 V HA 0.294 4.414 4.120 -0.000 0.000 0.260 381 V C 0.511 176.736 176.094 0.218 0.000 1.231 381 V CA 0.865 63.253 62.300 0.147 0.000 1.100 381 V CB -1.149 30.764 31.823 0.150 0.000 0.807 381 V HN 0.675 nan 8.190 nan 0.000 0.454 382 H N -1.254 117.890 119.070 0.124 0.000 3.003 382 H HA 0.628 5.184 4.556 -0.000 0.000 0.327 382 H C -2.277 173.265 175.328 0.356 0.000 1.353 382 H CA -0.708 55.435 56.048 0.159 0.000 1.142 382 H CB 1.974 31.734 29.762 -0.003 0.000 1.864 382 H HN 0.155 nan 8.280 nan 0.000 0.529 383 Y N 1.456 121.512 120.300 -0.407 0.000 2.482 383 Y HA 0.498 5.048 4.550 -0.000 0.000 0.334 383 Y C -1.717 174.072 175.900 -0.184 0.000 1.091 383 Y CA -0.631 57.396 58.100 -0.121 0.000 1.027 383 Y CB 1.707 40.101 38.460 -0.110 0.000 1.306 383 Y HN 0.619 nan 8.280 nan 0.000 0.446 384 E N 4.300 124.241 120.200 -0.432 0.000 2.317 384 E HA 0.436 4.786 4.350 -0.000 0.000 0.270 384 E C -1.448 174.767 176.600 -0.640 0.000 0.885 384 E CA -0.782 55.380 56.400 -0.396 0.000 0.760 384 E CB 2.725 32.439 29.700 0.024 0.000 1.227 384 E HN 0.773 nan 8.360 nan 0.000 0.434 385 E N 0.269 120.219 120.200 -0.417 0.000 2.412 385 E HA 0.660 5.010 4.350 -0.000 0.000 0.279 385 E C -1.242 175.321 176.600 -0.062 0.000 0.984 385 E CA -1.060 55.200 56.400 -0.234 0.000 0.788 385 E CB 2.524 32.074 29.700 -0.250 0.000 1.277 385 E HN 0.187 nan 8.360 nan 0.000 0.455 386 K N 1.414 121.829 120.400 0.026 0.000 2.581 386 K HA 0.274 4.594 4.320 -0.000 0.000 0.249 386 K C -1.585 174.984 176.600 -0.050 0.000 0.966 386 K CA -0.715 55.529 56.287 -0.072 0.000 0.811 386 K CB 1.488 33.905 32.500 -0.138 0.000 1.223 386 K HN 0.504 nan 8.250 nan 0.000 0.438 387 N N 4.183 122.816 118.700 -0.112 0.000 2.415 387 N HA 0.092 4.832 4.740 -0.000 0.000 0.246 387 N C -0.245 175.191 175.510 -0.123 0.000 1.078 387 N CA -0.321 52.716 53.050 -0.023 0.000 0.942 387 N CB 0.316 38.801 38.487 -0.004 0.000 1.140 387 N HN 0.667 nan 8.380 nan 0.000 0.501 388 W N 2.234 123.577 121.300 0.072 0.000 2.678 388 W HA 0.044 4.704 4.660 -0.000 0.000 0.256 388 W C 2.019 178.558 176.519 0.033 0.000 1.280 388 W CA -0.057 57.325 57.345 0.061 0.000 1.345 388 W CB -0.171 29.341 29.460 0.086 0.000 1.118 388 W HN 0.588 nan 8.180 nan 0.000 0.629 389 C N 0.468 119.873 119.300 0.175 0.000 2.419 389 C HA -0.169 4.291 4.460 -0.000 0.000 0.283 389 C C 2.339 177.354 174.990 0.042 0.000 1.373 389 C CA 1.473 60.549 59.018 0.097 0.000 1.781 389 C CB -1.478 26.303 27.740 0.070 0.000 1.886 389 C HN 0.496 nan 8.230 nan 0.000 0.520 390 E N 0.782 120.984 120.200 0.004 0.000 2.489 390 E HA -0.004 4.346 4.350 -0.000 0.000 0.193 390 E C -0.073 176.496 176.600 -0.051 0.000 1.057 390 E CA 0.334 56.713 56.400 -0.035 0.000 0.866 390 E CB -0.203 29.462 29.700 -0.057 0.000 0.916 390 E HN 0.497 nan 8.360 nan 0.000 0.500 391 E N 2.276 122.462 120.200 -0.023 0.000 2.104 391 E HA -0.031 4.319 4.350 -0.000 0.000 0.278 391 E C 0.527 177.111 176.600 -0.026 0.000 1.127 391 E CA 0.051 56.444 56.400 -0.011 0.000 0.897 391 E CB 1.409 31.160 29.700 0.086 0.000 1.043 391 E HN 0.376 nan 8.360 nan 0.000 0.410 392 Q N 2.953 122.675 119.800 -0.130 0.000 2.135 392 Q HA -0.201 4.139 4.340 -0.000 0.000 0.204 392 Q C 0.362 176.140 176.000 -0.371 0.000 0.981 392 Q CA 1.637 57.250 55.803 -0.318 0.000 0.856 392 Q CB 0.088 28.506 28.738 -0.534 0.000 0.902 392 Q HN 0.604 nan 8.270 nan 0.000 0.425 393 Y N -1.055 119.274 120.300 0.049 0.000 2.524 393 Y HA 0.254 4.804 4.550 -0.000 0.000 0.266 393 Y C 1.498 177.460 175.900 0.103 0.000 1.180 393 Y CA -0.287 57.851 58.100 0.065 0.000 1.244 393 Y CB 0.935 39.426 38.460 0.050 0.000 1.125 393 Y HN 0.081 nan 8.280 nan 0.000 0.524 394 S N -1.632 114.197 115.700 0.215 0.000 2.807 394 S HA 0.295 4.765 4.470 -0.000 0.000 0.247 394 S C 1.829 176.512 174.600 0.139 0.000 1.078 394 S CA 0.557 58.889 58.200 0.220 0.000 0.867 394 S CB 0.617 64.034 63.200 0.361 0.000 0.797 394 S HN 0.518 nan 8.310 nan 0.000 0.515 395 G N 1.004 109.868 108.800 0.106 0.000 2.217 395 G HA2 0.107 4.067 3.960 -0.000 0.000 0.246 395 G HA3 0.107 4.067 3.960 -0.000 0.000 0.246 395 G C 0.484 175.426 174.900 0.071 0.000 0.990 395 G CA 0.041 45.171 45.100 0.050 0.000 0.627 395 G HN 1.384 nan 8.290 nan 0.000 0.522 396 G N -2.306 106.579 108.800 0.141 0.000 2.350 396 G HA2 0.517 4.477 3.960 -0.000 0.000 0.282 396 G HA3 0.517 4.477 3.960 -0.000 0.000 0.282 396 G C -0.987 173.997 174.900 0.139 0.000 1.314 396 G CA 0.320 45.509 45.100 0.149 0.000 0.915 396 G HN 1.495 nan 8.290 nan 0.000 0.499 397 C N -1.622 117.707 119.300 0.048 0.000 3.285 397 C HA 0.579 5.039 4.460 -0.000 0.000 0.325 397 C C 0.790 175.616 174.990 -0.273 0.000 1.304 397 C CA -0.652 58.321 59.018 -0.075 0.000 1.319 397 C CB 0.750 28.358 27.740 -0.219 0.000 1.640 397 C HN 0.738 nan 8.230 nan 0.000 0.477 398 Y N 0.598 120.830 120.300 -0.112 0.000 2.337 398 Y HA 0.217 4.767 4.550 -0.000 0.000 0.293 398 Y C 1.580 177.446 175.900 -0.056 0.000 1.123 398 Y CA 1.199 59.205 58.100 -0.157 0.000 1.201 398 Y CB -0.405 37.935 38.460 -0.200 0.000 1.011 398 Y HN 0.685 nan 8.280 nan 0.000 0.545 399 T N -1.930 112.705 114.554 0.135 0.000 2.671 399 T HA 0.334 4.684 4.350 -0.000 0.000 0.300 399 T C -0.838 173.963 174.700 0.167 0.000 1.238 399 T CA -0.717 61.503 62.100 0.199 0.000 1.020 399 T CB 1.060 70.141 68.868 0.354 0.000 1.503 399 T HN -0.154 nan 8.240 nan 0.000 0.497 400 T N 2.668 117.338 114.554 0.194 0.000 2.814 400 T HA 0.470 4.820 4.350 -0.000 0.000 0.297 400 T C -0.764 173.956 174.700 0.034 0.000 0.956 400 T CA 0.041 62.162 62.100 0.034 0.000 1.123 400 T CB -0.459 68.424 68.868 0.025 0.000 0.902 400 T HN 0.459 nan 8.240 nan 0.000 0.528 401 Y N 1.120 121.201 120.300 -0.364 0.000 2.496 401 Y HA 0.799 5.349 4.550 0.000 0.000 0.331 401 Y C -1.211 174.122 175.900 -0.946 0.000 1.140 401 Y CA -2.247 55.256 58.100 -0.996 0.000 1.166 401 Y CB 0.763 38.747 38.460 -0.794 0.000 1.249 401 Y HN 0.399 nan 8.280 nan 0.000 0.479 402 F N 2.979 122.172 119.950 -1.262 0.000 2.402 402 F HA 0.566 5.093 4.527 -0.000 0.000 0.355 402 F C -2.350 173.348 175.800 -0.171 0.000 1.123 402 F CA -2.743 54.891 58.000 -0.610 0.000 1.021 402 F CB 1.565 40.261 39.000 -0.507 0.000 1.160 402 F HN 0.357 nan 8.300 nan 0.000 0.451 403 P HA 0.142 nan 4.420 nan 0.000 0.273 403 P C -2.573 174.824 177.300 0.162 0.000 1.250 403 P CA -1.284 61.898 63.100 0.137 0.000 0.793 403 P CB -0.142 31.592 31.700 0.057 0.000 1.011 404 P HA -0.017 nan 4.420 nan 0.000 0.265 404 P C 0.901 178.292 177.300 0.151 0.000 1.193 404 P CA 1.192 64.392 63.100 0.167 0.000 0.765 404 P CB -0.067 31.715 31.700 0.136 0.000 0.823 405 G N 2.803 111.706 108.800 0.172 0.000 2.217 405 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.246 405 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.246 405 G C 0.793 175.811 174.900 0.198 0.000 0.990 405 G CA 0.109 45.303 45.100 0.157 0.000 0.627 405 G HN 0.432 nan 8.290 nan 0.000 0.522 406 I N 0.158 120.875 120.570 0.244 0.000 2.339 406 I HA 0.165 4.335 4.170 -0.000 0.000 0.245 406 I C 2.617 178.981 176.117 0.411 0.000 1.096 406 I CA 1.246 62.746 61.300 0.333 0.000 1.408 406 I CB -1.217 36.898 38.000 0.191 0.000 1.092 406 I HN 0.269 nan 8.210 nan 0.000 0.423 407 L N 1.188 122.640 121.223 0.381 0.000 2.083 407 L HA -0.198 4.142 4.340 -0.000 0.000 0.209 407 L C 2.620 179.575 176.870 0.140 0.000 1.083 407 L CA 2.475 57.421 54.840 0.177 0.000 0.752 407 L CB -0.976 41.086 42.059 0.004 0.000 0.899 407 L HN 0.435 nan 8.230 nan 0.000 0.433 408 T N -4.387 110.257 114.554 0.149 0.000 2.904 408 T HA -0.130 4.220 4.350 -0.000 0.000 0.267 408 T C 1.796 176.467 174.700 -0.049 0.000 1.059 408 T CA 0.867 63.025 62.100 0.097 0.000 1.137 408 T CB -0.297 68.632 68.868 0.101 0.000 0.879 408 T HN 0.355 nan 8.240 nan 0.000 0.467 409 Q N -0.118 119.650 119.800 -0.053 0.000 2.163 409 Q HA 0.107 4.447 4.340 -0.000 0.000 0.198 409 Q C 1.223 176.912 176.000 -0.519 0.000 0.954 409 Q CA 1.190 56.814 55.803 -0.299 0.000 0.851 409 Q CB -0.011 28.534 28.738 -0.321 0.000 0.928 409 Q HN 0.760 nan 8.270 nan 0.000 0.459 410 Y N -1.569 118.673 120.300 -0.096 0.000 2.432 410 Y HA 0.256 4.806 4.550 -0.000 0.000 0.252 410 Y C 2.086 177.878 175.900 -0.180 0.000 1.097 410 Y CA 0.119 58.145 58.100 -0.123 0.000 1.250 410 Y CB 0.094 38.520 38.460 -0.057 0.000 1.245 410 Y HN 0.089 nan 8.280 nan 0.000 0.522 411 G N 1.753 110.502 108.800 -0.085 0.000 2.469 411 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.220 411 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.220 411 G C 1.749 176.249 174.900 -0.667 0.000 1.136 411 G CA 1.242 46.211 45.100 -0.218 0.000 0.759 411 G HN 0.413 nan 8.290 nan 0.000 0.562 412 R N 0.734 120.520 120.500 -1.189 0.000 2.285 412 R HA 0.007 4.347 4.340 -0.000 0.000 0.213 412 R C 2.004 178.055 176.300 -0.414 0.000 1.068 412 R CA 1.582 56.987 56.100 -1.158 0.000 1.004 412 R CB -0.641 28.958 30.300 -1.168 0.000 0.873 412 R HN 0.549 nan 8.270 nan 0.000 0.467 413 V N -2.443 117.303 119.914 -0.280 0.000 3.650 413 V HA 0.105 4.225 4.120 -0.000 0.000 0.271 413 V C 2.114 178.113 176.094 -0.159 0.000 1.281 413 V CA 0.070 62.268 62.300 -0.170 0.000 1.120 413 V CB -0.289 31.445 31.823 -0.150 0.000 0.856 413 V HN 0.135 nan 8.190 nan 0.000 0.443 414 L N 1.680 122.845 121.223 -0.096 0.000 1.997 414 L HA -0.194 4.146 4.340 -0.000 0.000 0.216 414 L C 2.803 179.627 176.870 -0.077 0.000 1.074 414 L CA 2.815 57.623 54.840 -0.053 0.000 0.763 414 L CB -0.101 42.026 42.059 0.112 0.000 0.890 414 L HN 0.554 nan 8.230 nan 0.000 0.434 415 R N -0.779 119.771 120.500 0.083 0.000 2.546 415 R HA 0.139 4.479 4.340 -0.000 0.000 0.320 415 R C 0.536 176.987 176.300 0.252 0.000 1.021 415 R CA -0.227 56.011 56.100 0.229 0.000 1.088 415 R CB -0.057 30.437 30.300 0.324 0.000 1.278 415 R HN 0.249 nan 8.270 nan 0.000 0.557 416 Q N 2.670 122.540 119.800 0.116 0.000 2.286 416 Q HA 0.196 4.536 4.340 -0.000 0.000 0.267 416 Q C -2.105 174.009 176.000 0.189 0.000 1.028 416 Q CA -2.094 53.776 55.803 0.112 0.000 0.901 416 Q CB 0.857 29.603 28.738 0.012 0.000 1.183 416 Q HN 0.035 nan 8.270 nan 0.000 0.392 417 P HA -0.052 nan 4.420 nan 0.000 0.267 417 P C -1.241 176.055 177.300 -0.006 0.000 1.200 417 P CA -0.040 63.001 63.100 -0.099 0.000 0.772 417 P CB 0.644 32.006 31.700 -0.564 0.000 0.855 418 V N 3.418 123.339 119.914 0.012 0.000 2.257 418 V HA 0.153 4.273 4.120 -0.000 0.000 0.269 418 V C 0.646 176.703 176.094 -0.063 0.000 1.040 418 V CA 0.168 62.475 62.300 0.012 0.000 0.813 418 V CB -0.014 31.860 31.823 0.086 0.000 1.065 418 V HN 0.798 nan 8.190 nan 0.000 0.457 419 D N 3.933 124.296 120.400 -0.062 0.000 4.438 419 D HA -0.297 4.343 4.640 -0.000 0.000 0.158 419 D C 1.330 177.610 176.300 -0.034 0.000 0.686 419 D CA 2.326 56.308 54.000 -0.030 0.000 1.183 419 D CB -0.290 40.505 40.800 -0.007 0.000 0.623 419 D HN 0.539 nan 8.370 nan 0.000 0.521 420 R N -0.101 120.405 120.500 0.011 0.000 2.432 420 R HA 0.447 4.787 4.340 -0.000 0.000 0.260 420 R C -0.175 176.228 176.300 0.172 0.000 0.935 420 R CA -0.147 56.054 56.100 0.168 0.000 1.080 420 R CB 0.407 30.732 30.300 0.042 0.000 1.155 420 R HN 0.285 nan 8.270 nan 0.000 0.531 421 I N 1.124 121.643 120.570 -0.084 0.000 2.331 421 I HA 0.217 4.387 4.170 -0.000 0.000 0.292 421 I C -0.616 175.144 176.117 -0.594 0.000 0.998 421 I CA -0.627 60.537 61.300 -0.227 0.000 1.267 421 I CB 0.693 38.525 38.000 -0.279 0.000 1.386 421 I HN -0.095 nan 8.210 nan 0.000 0.476 422 Y N 5.275 125.310 120.300 -0.442 0.000 2.509 422 Y HA 0.545 5.095 4.550 -0.000 0.000 0.341 422 Y C -0.580 174.985 175.900 -0.558 0.000 1.038 422 Y CA -0.737 57.148 58.100 -0.358 0.000 1.089 422 Y CB 1.606 39.992 38.460 -0.125 0.000 1.241 422 Y HN 0.286 nan 8.280 nan 0.000 0.468 423 F N 1.522 121.583 119.950 0.185 0.000 2.427 423 F HA 0.719 5.245 4.527 -0.000 0.000 0.348 423 F C 0.422 176.304 175.800 0.136 0.000 1.125 423 F CA -0.559 57.524 58.000 0.138 0.000 0.989 423 F CB 1.086 40.151 39.000 0.109 0.000 1.165 423 F HN 0.605 nan 8.300 nan 0.000 0.442 424 A N 2.297 125.267 122.820 0.250 0.000 3.444 424 A HA 0.962 5.282 4.320 -0.000 0.000 0.189 424 A C 0.359 178.074 177.584 0.218 0.000 1.542 424 A CA -0.413 51.736 52.037 0.187 0.000 0.867 424 A CB 0.060 19.126 19.000 0.111 0.000 1.712 424 A HN 1.477 nan 8.150 nan 0.000 0.556 425 G N -2.517 106.390 108.800 0.179 0.000 2.719 425 G HA2 0.098 4.058 3.960 -0.000 0.000 0.686 425 G HA3 0.098 4.058 3.960 -0.000 0.000 0.686 425 G C 0.431 175.460 174.900 0.216 0.000 1.201 425 G CA 0.606 45.820 45.100 0.189 0.000 0.768 425 G HN 1.550 nan 8.290 nan 0.000 0.629 426 T N 0.080 114.764 114.554 0.215 0.000 2.849 426 T HA -0.109 4.241 4.350 -0.000 0.000 0.270 426 T C 2.071 176.971 174.700 0.332 0.000 1.066 426 T CA 2.684 64.938 62.100 0.257 0.000 1.130 426 T CB -0.164 68.851 68.868 0.245 0.000 0.864 426 T HN 0.610 nan 8.240 nan 0.000 0.481 427 E N 0.357 120.759 120.200 0.336 0.000 2.338 427 E HA -0.047 4.303 4.350 -0.000 0.000 0.197 427 E C 2.217 179.075 176.600 0.430 0.000 1.007 427 E CA 1.446 58.098 56.400 0.419 0.000 0.849 427 E CB -0.090 29.822 29.700 0.354 0.000 0.774 427 E HN 0.706 nan 8.360 nan 0.000 0.506 428 T N -2.632 112.139 114.554 0.361 0.000 3.086 428 T HA 0.438 4.788 4.350 -0.000 0.000 0.250 428 T C 0.856 175.794 174.700 0.397 0.000 1.074 428 T CA 0.010 62.324 62.100 0.358 0.000 0.988 428 T CB 0.235 69.292 68.868 0.315 0.000 0.988 428 T HN 0.089 nan 8.240 nan 0.000 0.530 429 A N 1.837 124.893 122.820 0.392 0.000 2.346 429 A HA 0.528 4.848 4.320 -0.000 0.000 0.252 429 A C 1.523 179.375 177.584 0.447 0.000 1.089 429 A CA 0.199 52.470 52.037 0.390 0.000 0.797 429 A CB 0.259 19.449 19.000 0.317 0.000 1.047 429 A HN 0.515 nan 8.150 nan 0.000 0.494 430 T N -2.698 112.101 114.554 0.409 0.000 3.003 430 T HA 0.239 4.589 4.350 -0.000 0.000 0.261 430 T C 0.230 175.048 174.700 0.197 0.000 1.003 430 T CA 0.647 62.947 62.100 0.333 0.000 0.917 430 T CB -0.357 68.652 68.868 0.235 0.000 1.084 430 T HN 0.757 nan 8.240 nan 0.000 0.522 431 H N -0.985 118.125 119.070 0.066 0.000 3.018 431 H HA 0.283 4.839 4.556 -0.000 0.000 0.334 431 H C -1.015 174.343 175.328 0.050 0.000 0.983 431 H CA -1.068 54.942 56.048 -0.063 0.000 1.363 431 H CB 0.871 30.651 29.762 0.030 0.000 1.668 431 H HN 0.314 nan 8.280 nan 0.000 0.513 432 W N 2.200 123.262 121.300 -0.396 0.000 5.121 432 W HA -0.245 4.415 4.660 -0.000 0.000 0.372 432 W C 0.428 176.895 176.519 -0.088 0.000 1.394 432 W CA 0.914 57.996 57.345 -0.438 0.000 0.885 432 W CB -1.718 27.401 29.460 -0.569 0.000 2.520 432 W HN 0.399 nan 8.180 nan 0.000 1.455 433 S N 0.505 116.248 115.700 0.071 0.000 2.552 433 S HA 0.397 4.867 4.470 -0.000 0.000 0.289 433 S C 1.398 176.213 174.600 0.359 0.000 1.304 433 S CA 1.710 60.063 58.200 0.256 0.000 1.063 433 S CB 0.843 64.254 63.200 0.352 0.000 0.848 433 S HN 1.431 nan 8.310 nan 0.000 0.499 434 G N 3.000 112.079 108.800 0.465 0.000 2.232 434 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.226 434 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.226 434 G C -0.207 174.795 174.900 0.169 0.000 0.996 434 G CA 0.237 45.607 45.100 0.450 0.000 0.626 434 G HN 0.685 nan 8.290 nan 0.000 0.509 435 Y N -0.470 119.949 120.300 0.198 0.000 2.621 435 Y HA 0.716 5.266 4.550 -0.000 0.000 0.334 435 Y C 1.961 177.904 175.900 0.073 0.000 1.074 435 Y CA -0.748 57.417 58.100 0.108 0.000 1.149 435 Y CB 0.877 39.389 38.460 0.087 0.000 1.302 435 Y HN -0.026 nan 8.280 nan 0.000 0.501 436 M N -0.077 119.632 119.600 0.182 0.000 2.149 436 M HA -0.214 4.266 4.480 -0.000 0.000 0.261 436 M C 1.854 178.216 176.300 0.104 0.000 1.064 436 M CA 1.957 57.329 55.300 0.120 0.000 1.102 436 M CB -0.224 32.439 32.600 0.106 0.000 1.369 436 M HN 0.788 nan 8.290 nan 0.000 0.408 437 E N 0.682 120.920 120.200 0.063 0.000 2.049 437 E HA -0.159 4.191 4.350 -0.000 0.000 0.198 437 E C 1.946 178.609 176.600 0.105 0.000 1.007 437 E CA 2.098 58.501 56.400 0.004 0.000 0.809 437 E CB -0.702 28.867 29.700 -0.218 0.000 0.749 437 E HN 0.436 nan 8.360 nan 0.000 0.450 438 G N -0.103 108.812 108.800 0.192 0.000 2.432 438 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.219 438 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.219 438 G C 1.680 176.696 174.900 0.194 0.000 1.135 438 G CA 1.003 46.238 45.100 0.224 0.000 0.767 438 G HN 0.469 nan 8.290 nan 0.000 0.550 439 A N 0.251 123.172 122.820 0.169 0.000 1.902 439 A HA 0.061 4.381 4.320 -0.000 0.000 0.217 439 A C 2.598 180.244 177.584 0.104 0.000 1.181 439 A CA 1.843 53.963 52.037 0.137 0.000 0.623 439 A CB -0.589 18.481 19.000 0.116 0.000 0.818 439 A HN 0.248 nan 8.150 nan 0.000 0.443 440 V N 0.105 120.072 119.914 0.088 0.000 2.307 440 V HA -0.246 3.874 4.120 -0.000 0.000 0.245 440 V C 2.544 178.676 176.094 0.063 0.000 1.045 440 V CA 2.161 64.497 62.300 0.061 0.000 1.024 440 V CB -0.744 31.108 31.823 0.048 0.000 0.651 440 V HN 0.747 nan 8.190 nan 0.000 0.449 441 E N 0.559 120.816 120.200 0.095 0.000 2.058 441 E HA -0.274 4.076 4.350 -0.000 0.000 0.194 441 E C 2.223 178.858 176.600 0.059 0.000 0.997 441 E CA 1.772 58.234 56.400 0.104 0.000 0.801 441 E CB -0.179 29.632 29.700 0.185 0.000 0.746 441 E HN 0.541 nan 8.360 nan 0.000 0.450 442 A N 0.716 123.595 122.820 0.099 0.000 1.930 442 A HA -0.045 4.275 4.320 -0.000 0.000 0.217 442 A C 2.416 180.021 177.584 0.035 0.000 1.175 442 A CA 1.652 53.739 52.037 0.084 0.000 0.627 442 A CB -1.042 18.057 19.000 0.165 0.000 0.815 442 A HN 0.452 nan 8.150 nan 0.000 0.443 443 G N -0.265 108.561 108.800 0.043 0.000 2.421 443 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.216 443 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.216 443 G C 1.440 176.326 174.900 -0.025 0.000 1.171 443 G CA 0.995 46.106 45.100 0.020 0.000 0.775 443 G HN 0.645 nan 8.290 nan 0.000 0.543 444 E N -0.189 119.991 120.200 -0.033 0.000 2.106 444 E HA -0.069 4.281 4.350 -0.000 0.000 0.192 444 E C 2.530 179.053 176.600 -0.129 0.000 0.984 444 E CA 0.318 56.681 56.400 -0.062 0.000 0.806 444 E CB -0.123 29.556 29.700 -0.036 0.000 0.750 444 E HN 0.311 nan 8.360 nan 0.000 0.458 445 R N 1.172 121.558 120.500 -0.189 0.000 2.081 445 R HA -0.103 4.237 4.340 -0.000 0.000 0.235 445 R C 2.158 178.282 176.300 -0.294 0.000 1.131 445 R CA 1.348 57.221 56.100 -0.378 0.000 0.960 445 R CB -0.198 29.692 30.300 -0.684 0.000 0.856 445 R HN 0.131 nan 8.270 nan 0.000 0.436 446 A N 0.939 123.661 122.820 -0.163 0.000 1.898 446 A HA -0.048 4.272 4.320 -0.000 0.000 0.216 446 A C 2.408 179.890 177.584 -0.169 0.000 1.181 446 A CA 1.602 53.584 52.037 -0.091 0.000 0.620 446 A CB -0.698 18.307 19.000 0.009 0.000 0.819 446 A HN 0.525 nan 8.150 nan 0.000 0.442 447 A N -0.060 122.672 122.820 -0.146 0.000 1.908 447 A HA -0.205 4.115 4.320 -0.000 0.000 0.218 447 A C 2.258 179.717 177.584 -0.209 0.000 1.181 447 A CA 1.668 53.607 52.037 -0.163 0.000 0.627 447 A CB -0.473 18.465 19.000 -0.102 0.000 0.818 447 A HN 0.557 nan 8.150 nan 0.000 0.445 448 R N -0.582 119.804 120.500 -0.191 0.000 2.115 448 R HA -0.059 4.281 4.340 -0.000 0.000 0.226 448 R C 2.026 178.213 176.300 -0.189 0.000 1.100 448 R CA 1.149 57.145 56.100 -0.173 0.000 0.980 448 R CB -0.262 29.944 30.300 -0.157 0.000 0.875 448 R HN 0.676 nan 8.270 nan 0.000 0.445 449 E N 0.742 120.798 120.200 -0.240 0.000 2.085 449 E HA -0.205 4.145 4.350 -0.000 0.000 0.194 449 E C 1.946 178.259 176.600 -0.478 0.000 0.994 449 E CA 1.166 57.427 56.400 -0.232 0.000 0.801 449 E CB -0.096 29.522 29.700 -0.137 0.000 0.743 449 E HN 0.345 nan 8.360 nan 0.000 0.453 450 I N 0.840 120.984 120.570 -0.710 0.000 2.252 450 I HA -0.264 3.906 4.170 -0.000 0.000 0.245 450 I C 2.320 178.100 176.117 -0.562 0.000 1.102 450 I CA 0.815 61.577 61.300 -0.896 0.000 1.385 450 I CB -0.159 37.340 38.000 -0.836 0.000 1.064 450 I HN 0.103 nan 8.210 nan 0.000 0.414 451 L N -0.002 121.025 121.223 -0.327 0.000 2.042 451 L HA -0.292 4.048 4.340 -0.000 0.000 0.210 451 L C 2.724 179.515 176.870 -0.132 0.000 1.076 451 L CA 1.717 56.442 54.840 -0.192 0.000 0.749 451 L CB -0.955 41.032 42.059 -0.119 0.000 0.893 451 L HN 0.369 nan 8.230 nan 0.000 0.432 452 H N 0.109 119.069 119.070 -0.183 0.000 2.357 452 H HA -0.107 4.449 4.556 -0.000 0.000 0.301 452 H C 2.128 177.398 175.328 -0.097 0.000 1.082 452 H CA 1.473 57.456 56.048 -0.108 0.000 1.342 452 H CB 0.049 29.769 29.762 -0.070 0.000 1.389 452 H HN 0.255 nan 8.280 nan 0.000 0.511 453 A N 0.493 123.147 122.820 -0.277 0.000 2.024 453 A HA -0.144 4.176 4.320 -0.000 0.000 0.220 453 A C 2.281 179.766 177.584 -0.166 0.000 1.164 453 A CA 1.742 53.639 52.037 -0.234 0.000 0.643 453 A CB -0.615 18.254 19.000 -0.218 0.000 0.806 453 A HN 0.577 nan 8.150 nan 0.000 0.451 454 M N -1.652 117.828 119.600 -0.200 0.000 2.595 454 M HA 0.155 4.635 4.480 -0.000 0.000 0.248 454 M C 1.361 177.617 176.300 -0.074 0.000 1.119 454 M CA 0.802 56.056 55.300 -0.077 0.000 1.079 454 M CB 0.208 32.761 32.600 -0.079 0.000 1.472 454 M HN 0.627 nan 8.290 nan 0.000 0.501 455 G N 1.037 109.757 108.800 -0.134 0.000 2.141 455 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.242 455 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.242 455 G C 0.842 175.709 174.900 -0.056 0.000 0.982 455 G CA 0.307 45.345 45.100 -0.104 0.000 0.662 455 G HN 0.454 nan 8.290 nan 0.000 0.527 456 K N -0.403 119.964 120.400 -0.055 0.000 2.314 456 K HA 0.326 4.646 4.320 -0.000 0.000 0.198 456 K C 1.345 177.941 176.600 -0.007 0.000 1.045 456 K CA 1.253 57.522 56.287 -0.030 0.000 0.988 456 K CB 0.421 32.895 32.500 -0.043 0.000 0.783 456 K HN 0.816 nan 8.250 nan 0.000 0.484 457 I N -1.642 118.939 120.570 0.019 0.000 2.969 457 I HA 0.454 4.624 4.170 -0.000 0.000 0.307 457 I C -3.000 173.203 176.117 0.145 0.000 1.149 457 I CA -2.946 58.388 61.300 0.055 0.000 1.008 457 I CB 2.389 40.408 38.000 0.032 0.000 1.232 457 I HN -0.259 nan 8.210 nan 0.000 0.435 458 P HA 0.111 nan 4.420 nan 0.000 0.274 458 P C 0.218 177.569 177.300 0.085 0.000 1.237 458 P CA -0.017 63.173 63.100 0.150 0.000 0.793 458 P CB 1.133 32.878 31.700 0.075 0.000 0.977 459 E N 0.595 120.769 120.200 -0.042 0.000 2.130 459 E HA -0.293 4.057 4.350 -0.000 0.000 0.196 459 E C 1.177 177.699 176.600 -0.130 0.000 0.998 459 E CA 1.481 57.637 56.400 -0.407 0.000 0.806 459 E CB -0.273 29.260 29.700 -0.280 0.000 0.738 459 E HN 0.397 nan 8.360 nan 0.000 0.459 460 D N 0.381 120.765 120.400 -0.027 0.000 2.254 460 D HA -0.194 4.446 4.640 -0.000 0.000 0.201 460 D C 1.102 177.426 176.300 0.039 0.000 0.998 460 D CA 1.289 55.301 54.000 0.020 0.000 0.885 460 D CB 0.058 40.873 40.800 0.025 0.000 0.915 460 D HN 0.311 nan 8.370 nan 0.000 0.460 461 E N -1.290 118.921 120.200 0.019 0.000 2.498 461 E HA 0.158 4.508 4.350 -0.000 0.000 0.203 461 E C 1.848 178.446 176.600 -0.002 0.000 1.013 461 E CA -0.301 56.113 56.400 0.022 0.000 0.927 461 E CB 0.478 30.188 29.700 0.015 0.000 1.012 461 E HN 0.354 nan 8.360 nan 0.000 0.482 462 I N 0.032 120.589 120.570 -0.022 0.000 2.142 462 I HA -0.185 3.985 4.170 -0.000 0.000 0.240 462 I C 0.457 176.440 176.117 -0.224 0.000 1.078 462 I CA 1.173 62.395 61.300 -0.130 0.000 1.343 462 I CB 0.049 37.970 38.000 -0.132 0.000 1.046 462 I HN 0.110 nan 8.210 nan 0.000 0.405 463 W N 1.472 122.771 121.300 -0.002 0.000 2.335 463 W HA 0.510 5.170 4.660 -0.000 0.000 0.307 463 W C 0.032 176.558 176.519 0.013 0.000 1.117 463 W CA -0.220 57.135 57.345 0.017 0.000 1.228 463 W CB 0.621 30.093 29.460 0.020 0.000 1.240 463 W HN -0.043 nan 8.180 nan 0.000 0.468 464 Q N 2.382 122.296 119.800 0.190 0.000 2.330 464 Q HA 0.380 4.720 4.340 -0.000 0.000 0.269 464 Q C 0.158 176.233 176.000 0.126 0.000 1.022 464 Q CA -0.526 55.348 55.803 0.119 0.000 0.796 464 Q CB 1.651 30.423 28.738 0.056 0.000 1.271 464 Q HN 0.535 nan 8.270 nan 0.000 0.450 465 S N 2.259 118.019 115.700 0.101 0.000 2.584 465 S HA 0.247 4.717 4.470 -0.000 0.000 0.270 465 S C -0.162 174.481 174.600 0.072 0.000 1.346 465 S CA -0.526 57.724 58.200 0.084 0.000 1.018 465 S CB 1.253 64.486 63.200 0.055 0.000 0.899 465 S HN 0.637 nan 8.310 nan 0.000 0.542 466 E N 1.184 121.429 120.200 0.075 0.000 2.199 466 E HA 0.571 4.921 4.350 -0.000 0.000 0.265 466 E C -2.751 173.880 176.600 0.052 0.000 0.882 466 E CA -2.174 54.265 56.400 0.066 0.000 0.759 466 E CB 0.959 30.709 29.700 0.083 0.000 1.148 466 E HN 0.553 nan 8.360 nan 0.000 0.412 467 P HA 0.048 nan 4.420 nan 0.000 0.266 467 P C -0.768 176.552 177.300 0.033 0.000 1.195 467 P CA -0.129 62.990 63.100 0.031 0.000 0.768 467 P CB 0.500 32.214 31.700 0.024 0.000 0.838 468 E N 1.723 121.941 120.200 0.030 0.000 2.384 468 E HA 0.088 4.438 4.350 -0.000 0.000 0.266 468 E C -0.115 176.497 176.600 0.020 0.000 1.012 468 E CA -0.342 56.074 56.400 0.028 0.000 0.901 468 E CB 0.425 30.140 29.700 0.024 0.000 0.967 468 E HN 0.372 nan 8.360 nan 0.000 0.435 469 S N 2.783 118.492 115.700 0.016 0.000 2.552 469 S HA -0.050 4.420 4.470 -0.000 0.000 0.289 469 S C 1.123 175.728 174.600 0.009 0.000 1.304 469 S CA -0.069 58.137 58.200 0.011 0.000 1.063 469 S CB 0.835 64.036 63.200 0.001 0.000 0.848 469 S HN 0.547 nan 8.310 nan 0.000 0.499 470 V N 1.831 121.752 119.914 0.011 0.000 2.951 470 V HA 0.095 4.215 4.120 -0.000 0.000 0.255 470 V C 1.386 177.485 176.094 0.008 0.000 1.088 470 V CA 1.369 63.675 62.300 0.009 0.000 1.109 470 V CB -0.498 31.332 31.823 0.011 0.000 0.724 470 V HN 0.826 nan 8.190 nan 0.000 0.471 471 D N 1.013 121.418 120.400 0.009 0.000 2.271 471 D HA 0.098 4.738 4.640 -0.000 0.000 0.206 471 D C 0.709 177.007 176.300 -0.003 0.000 0.967 471 D CA 1.084 55.089 54.000 0.008 0.000 0.867 471 D CB 0.873 41.683 40.800 0.016 0.000 0.960 471 D HN 0.506 nan 8.370 nan 0.000 0.509 472 V N 3.870 123.778 119.914 -0.011 0.000 2.320 472 V HA 0.195 4.315 4.120 -0.000 0.000 0.257 472 V C -2.358 173.724 176.094 -0.020 0.000 0.996 472 V CA -1.255 61.029 62.300 -0.027 0.000 0.928 472 V CB 1.255 33.045 31.823 -0.056 0.000 1.169 472 V HN -0.038 nan 8.190 nan 0.000 0.475 473 P HA 0.376 nan 4.420 nan 0.000 0.274 473 P C -0.459 176.839 177.300 -0.004 0.000 1.231 473 P CA -0.068 63.030 63.100 -0.003 0.000 0.790 473 P CB 1.667 33.367 31.700 -0.000 0.000 0.951 474 A N 3.093 125.916 122.820 0.004 0.000 2.253 474 A HA 0.294 4.614 4.320 -0.000 0.000 0.316 474 A C 0.307 177.896 177.584 0.007 0.000 1.327 474 A CA -0.552 51.490 52.037 0.009 0.000 0.917 474 A CB 0.141 19.157 19.000 0.027 0.000 1.162 474 A HN 0.418 nan 8.150 nan 0.000 0.535 475 Q N 2.870 122.671 119.800 0.003 0.000 2.352 475 Q HA 0.275 4.615 4.340 -0.000 0.000 0.260 475 Q C -2.180 173.821 176.000 0.002 0.000 0.976 475 Q CA -1.539 54.265 55.803 0.002 0.000 0.881 475 Q CB 0.528 29.265 28.738 -0.001 0.000 1.235 475 Q HN 0.569 nan 8.270 nan 0.000 0.419 476 P HA 0.180 nan 4.420 nan 0.000 0.274 476 P C -0.355 176.940 177.300 -0.008 0.000 1.237 476 P CA -0.405 62.692 63.100 -0.005 0.000 0.793 476 P CB 0.760 32.456 31.700 -0.007 0.000 0.977 477 I N 1.852 122.412 120.570 -0.016 0.000 2.352 477 I HA 0.178 4.348 4.170 -0.000 0.000 0.290 477 I C 1.149 177.253 176.117 -0.021 0.000 1.036 477 I CA 0.103 61.392 61.300 -0.018 0.000 1.336 477 I CB 0.064 38.046 38.000 -0.030 0.000 1.407 477 I HN 0.400 nan 8.210 nan 0.000 0.497 478 T N 2.105 116.651 114.554 -0.014 0.000 2.918 478 T HA 0.797 5.147 4.350 -0.000 0.000 0.286 478 T C 0.085 174.769 174.700 -0.027 0.000 1.026 478 T CA -0.702 61.388 62.100 -0.016 0.000 1.031 478 T CB 2.080 70.946 68.868 -0.004 0.000 1.046 478 T HN 0.635 nan 8.240 nan 0.000 0.479 479 T N -1.187 113.346 114.554 -0.035 0.000 2.930 479 T HA 0.739 5.089 4.350 -0.000 0.000 0.290 479 T C 0.307 174.994 174.700 -0.021 0.000 1.052 479 T CA -0.762 61.306 62.100 -0.054 0.000 1.017 479 T CB 1.332 70.145 68.868 -0.092 0.000 1.137 479 T HN 0.981 nan 8.240 nan 0.000 0.511 480 T N -0.736 113.807 114.554 -0.018 0.000 2.902 480 T HA 0.421 4.771 4.350 -0.000 0.000 0.280 480 T C 0.821 175.563 174.700 0.070 0.000 0.992 480 T CA -0.874 61.253 62.100 0.045 0.000 1.015 480 T CB 0.704 69.604 68.868 0.054 0.000 1.044 480 T HN 0.526 nan 8.240 nan 0.000 0.520 481 F N 0.758 120.719 119.950 0.019 0.000 2.095 481 F HA -0.028 4.499 4.527 -0.000 0.000 0.298 481 F C 1.915 177.773 175.800 0.096 0.000 1.104 481 F CA 1.459 59.509 58.000 0.084 0.000 1.232 481 F CB -0.499 38.558 39.000 0.095 0.000 0.987 481 F HN 0.510 nan 8.300 nan 0.000 0.475 482 L N 0.023 121.338 121.223 0.154 0.000 2.046 482 L HA -0.207 4.133 4.340 -0.000 0.000 0.208 482 L C 2.431 179.270 176.870 -0.051 0.000 1.077 482 L CA 1.687 56.561 54.840 0.057 0.000 0.747 482 L CB -0.757 41.382 42.059 0.134 0.000 0.896 482 L HN 0.158 nan 8.230 nan 0.000 0.432 483 E N -0.141 120.026 120.200 -0.054 0.000 2.070 483 E HA -0.264 4.086 4.350 -0.000 0.000 0.197 483 E C 2.353 178.825 176.600 -0.213 0.000 1.004 483 E CA 1.323 57.652 56.400 -0.119 0.000 0.805 483 E CB -0.075 29.548 29.700 -0.128 0.000 0.744 483 E HN 0.388 nan 8.360 nan 0.000 0.451 484 R N -0.435 119.876 120.500 -0.315 0.000 2.096 484 R HA -0.082 4.258 4.340 -0.000 0.000 0.235 484 R C 1.862 177.744 176.300 -0.695 0.000 1.127 484 R CA 1.141 56.918 56.100 -0.539 0.000 0.968 484 R CB -0.024 29.841 30.300 -0.725 0.000 0.861 484 R HN 0.327 nan 8.270 nan 0.000 0.440 485 H N -0.905 117.952 119.070 -0.355 0.000 2.874 485 H HA 0.203 4.759 4.556 -0.000 0.000 0.264 485 H C 0.425 175.630 175.328 -0.205 0.000 1.007 485 H CA -0.197 55.644 56.048 -0.344 0.000 1.207 485 H CB 0.423 29.821 29.762 -0.607 0.000 1.487 485 H HN 0.035 nan 8.280 nan 0.000 0.505 486 L N 4.284 125.466 121.223 -0.067 0.000 2.514 486 L HA 0.043 4.383 4.340 -0.000 0.000 0.280 486 L C -1.636 175.211 176.870 -0.038 0.000 1.223 486 L CA -1.335 53.495 54.840 -0.018 0.000 0.864 486 L CB 0.303 42.383 42.059 0.035 0.000 1.118 486 L HN 0.005 nan 8.230 nan 0.000 0.494 487 P HA 0.129 nan 4.420 nan 0.000 0.276 487 P C -0.661 176.592 177.300 -0.079 0.000 1.252 487 P CA -0.598 62.467 63.100 -0.058 0.000 0.802 487 P CB 1.055 32.720 31.700 -0.058 0.000 1.035 488 S N 0.069 115.703 115.700 -0.111 0.000 2.617 488 S HA 0.081 4.551 4.470 -0.000 0.000 0.259 488 S C 1.538 175.997 174.600 -0.234 0.000 1.301 488 S CA -0.543 57.564 58.200 -0.154 0.000 0.984 488 S CB -0.430 62.673 63.200 -0.162 0.000 0.954 488 S HN 0.225 nan 8.310 nan 0.000 0.572 489 V N 2.390 122.092 119.914 -0.352 0.000 2.255 489 V HA -0.082 4.038 4.120 -0.000 0.000 0.247 489 V C -0.407 175.263 176.094 -0.707 0.000 1.051 489 V CA 1.988 63.985 62.300 -0.504 0.000 1.018 489 V CB -1.937 29.561 31.823 -0.541 0.000 0.641 489 V HN 0.806 nan 8.190 nan 0.000 0.445 490 P HA -0.104 nan 4.420 nan 0.000 0.218 490 P C 1.736 178.834 177.300 -0.336 0.000 1.149 490 P CA 1.962 64.609 63.100 -0.755 0.000 0.817 490 P CB -0.285 31.085 31.700 -0.549 0.000 0.785 491 G N 0.650 109.294 108.800 -0.260 0.000 2.418 491 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.217 491 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.217 491 G C 1.520 176.343 174.900 -0.128 0.000 1.158 491 G CA 0.539 45.549 45.100 -0.149 0.000 0.771 491 G HN 0.225 nan 8.290 nan 0.000 0.545 492 L N 0.490 121.623 121.223 -0.151 0.000 2.042 492 L HA 0.056 4.396 4.340 -0.000 0.000 0.210 492 L C 2.725 179.534 176.870 -0.103 0.000 1.076 492 L CA 1.389 56.164 54.840 -0.110 0.000 0.749 492 L CB -0.420 41.575 42.059 -0.106 0.000 0.893 492 L HN 0.219 nan 8.230 nan 0.000 0.432 493 L N -1.101 120.032 121.223 -0.149 0.000 2.046 493 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 493 L C 2.744 179.574 176.870 -0.067 0.000 1.077 493 L CA 1.185 55.961 54.840 -0.108 0.000 0.747 493 L CB -0.527 41.444 42.059 -0.146 0.000 0.896 493 L HN 0.216 nan 8.230 nan 0.000 0.432 494 R N -0.390 120.064 120.500 -0.076 0.000 2.096 494 R HA -0.159 4.181 4.340 -0.000 0.000 0.235 494 R C 2.232 178.512 176.300 -0.032 0.000 1.127 494 R CA 1.096 57.171 56.100 -0.043 0.000 0.968 494 R CB -0.370 29.905 30.300 -0.041 0.000 0.861 494 R HN 0.200 nan 8.270 nan 0.000 0.440 495 L N 0.628 121.827 121.223 -0.040 0.000 2.093 495 L HA -0.113 4.227 4.340 -0.000 0.000 0.208 495 L C 2.064 178.922 176.870 -0.021 0.000 1.085 495 L CA 1.470 56.293 54.840 -0.028 0.000 0.755 495 L CB -0.136 41.904 42.059 -0.031 0.000 0.904 495 L HN 0.113 nan 8.230 nan 0.000 0.435 496 I N -1.199 119.356 120.570 -0.025 0.000 2.252 496 I HA -0.205 3.965 4.170 -0.000 0.000 0.245 496 I C 2.341 178.453 176.117 -0.008 0.000 1.102 496 I CA 1.358 62.649 61.300 -0.015 0.000 1.385 496 I CB -0.844 37.146 38.000 -0.016 0.000 1.064 496 I HN 0.334 nan 8.210 nan 0.000 0.414 497 G N 0.302 109.097 108.800 -0.009 0.000 2.498 497 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.219 497 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.219 497 G C 1.557 176.456 174.900 -0.001 0.000 1.119 497 G CA 0.395 45.494 45.100 -0.002 0.000 0.766 497 G HN 0.201 nan 8.290 nan 0.000 0.552 498 L N 0.059 121.279 121.223 -0.005 0.000 2.253 498 L HA 0.160 4.500 4.340 -0.000 0.000 0.205 498 L C 2.893 179.762 176.870 -0.002 0.000 1.078 498 L CA 1.451 56.289 54.840 -0.003 0.000 0.805 498 L CB -0.106 41.949 42.059 -0.006 0.000 0.963 498 L HN 0.091 nan 8.230 nan 0.000 0.459 499 T N -2.068 112.484 114.554 -0.003 0.000 2.985 499 T HA -0.076 4.274 4.350 -0.000 0.000 0.266 499 T C 1.226 175.926 174.700 -0.000 0.000 1.076 499 T CA 1.246 63.345 62.100 -0.002 0.000 1.135 499 T CB -0.255 68.612 68.868 -0.003 0.000 0.890 499 T HN 0.210 nan 8.240 nan 0.000 0.480 500 T N 1.991 116.545 114.554 0.001 0.000 3.565 500 T HA 0.506 4.856 4.350 -0.000 0.000 0.248 500 T C 0.312 175.014 174.700 0.003 0.000 1.033 500 T CA 0.180 62.281 62.100 0.002 0.000 0.952 500 T CB -1.498 67.372 68.868 0.004 0.000 1.072 500 T HN 0.516 nan 8.240 nan 0.000 0.609 501 I N 0.000 120.571 120.570 0.002 0.000 2.984 501 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 501 I CA 0.000 61.302 61.300 0.003 0.000 1.566 501 I CB 0.000 38.002 38.000 0.003 0.000 1.214 501 I HN 0.000 nan 8.210 nan 0.000 0.494