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 2v60_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 0.000 175.509 175.510 -0.001 0.000 1.280 3 N CA 0.000 52.938 53.050 -0.187 0.000 0.885 3 N CB 0.000 38.411 38.487 -0.127 0.000 1.341 4 K N 2.048 122.460 120.400 0.020 0.000 2.201 4 K HA 0.569 4.889 4.320 0.000 0.000 0.278 4 K C 0.148 176.789 176.600 0.068 0.000 1.027 4 K CA -0.387 55.926 56.287 0.045 0.000 0.909 4 K CB 1.901 34.413 32.500 0.020 0.000 1.062 4 K HN 0.612 nan 8.250 nan 0.000 0.465 5 C N -1.072 118.273 119.300 0.075 0.000 3.336 5 C HA 0.396 4.856 4.460 0.000 0.000 0.339 5 C C 0.756 175.783 174.990 0.062 0.000 1.468 5 C CA -0.796 58.266 59.018 0.072 0.000 1.287 5 C CB 1.058 28.852 27.740 0.090 0.000 1.682 5 C HN 0.793 nan 8.230 nan 0.000 0.451 6 D N 0.282 120.721 120.400 0.065 0.000 2.120 6 D HA 0.116 4.756 4.640 0.000 0.000 0.202 6 D C 0.383 176.747 176.300 0.107 0.000 0.972 6 D CA 1.693 55.741 54.000 0.079 0.000 0.837 6 D CB 0.194 41.041 40.800 0.079 0.000 0.989 6 D HN 0.483 nan 8.370 nan 0.000 0.469 7 V N 1.323 121.292 119.914 0.092 0.000 2.638 7 V HA 0.280 4.400 4.120 0.000 0.000 0.306 7 V C -0.124 176.002 176.094 0.053 0.000 1.052 7 V CA -0.844 61.513 62.300 0.094 0.000 0.885 7 V CB 2.788 34.656 31.823 0.075 0.000 0.999 7 V HN -0.243 nan 8.190 nan 0.000 0.424 8 V N 5.092 125.032 119.914 0.043 0.000 2.407 8 V HA 0.411 4.531 4.120 0.000 0.000 0.278 8 V C -0.087 176.001 176.094 -0.011 0.000 1.037 8 V CA -0.447 61.849 62.300 -0.007 0.000 0.900 8 V CB 1.892 33.704 31.823 -0.019 0.000 0.983 8 V HN 0.638 nan 8.190 nan 0.000 0.459 9 V N 6.104 125.998 119.914 -0.035 0.000 2.370 9 V HA 0.320 4.440 4.120 0.000 0.000 0.279 9 V C 0.021 176.089 176.094 -0.044 0.000 1.029 9 V CA -0.597 61.688 62.300 -0.026 0.000 0.870 9 V CB 1.652 33.463 31.823 -0.020 0.000 0.984 9 V HN 0.602 nan 8.190 nan 0.000 0.451 10 V N 4.577 124.478 119.914 -0.021 0.000 2.408 10 V HA 0.791 4.911 4.120 0.000 0.000 0.267 10 V C 0.735 176.833 176.094 0.007 0.000 1.047 10 V CA 0.476 62.765 62.300 -0.018 0.000 0.937 10 V CB 0.363 32.191 31.823 0.009 0.000 0.999 10 V HN 1.289 nan 8.190 nan 0.000 0.472 11 G N 3.644 112.436 108.800 -0.015 0.000 3.233 11 G HA2 0.232 4.192 3.960 0.000 0.000 0.686 11 G HA3 0.232 4.192 3.960 0.000 0.000 0.686 11 G C 0.032 174.932 174.900 -0.001 0.000 1.153 11 G CA -0.496 44.607 45.100 0.006 0.000 0.853 11 G HN 1.250 nan 8.290 nan 0.000 0.582 12 G N 0.716 109.514 108.800 -0.004 0.000 4.222 12 G HA2 0.700 4.660 3.960 0.000 0.000 0.301 12 G HA3 0.700 4.660 3.960 0.000 0.000 0.301 12 G C 0.829 175.741 174.900 0.021 0.000 1.171 12 G CA 0.943 46.042 45.100 -0.003 0.000 0.937 12 G HN 1.319 nan 8.290 nan 0.000 0.557 13 G N -0.097 108.727 108.800 0.040 0.000 2.535 13 G HA2 0.360 4.320 3.960 0.000 0.000 0.282 13 G HA3 0.360 4.320 3.960 0.000 0.000 0.282 13 G C 1.175 176.100 174.900 0.042 0.000 1.350 13 G CA -0.752 44.380 45.100 0.055 0.000 1.039 13 G HN 0.132 nan 8.290 nan 0.000 0.509 14 I N -0.560 120.037 120.570 0.046 0.000 2.264 14 I HA -0.213 3.957 4.170 0.000 0.000 0.248 14 I C 3.015 179.155 176.117 0.038 0.000 1.111 14 I CA 1.558 62.879 61.300 0.034 0.000 1.382 14 I CB -0.065 37.959 38.000 0.039 0.000 1.060 14 I HN 0.463 nan 8.210 nan 0.000 0.418 15 S N 0.485 116.219 115.700 0.057 0.000 2.345 15 S HA -0.124 4.346 4.470 0.000 0.000 0.220 15 S C 2.130 176.755 174.600 0.042 0.000 1.031 15 S CA 1.603 59.840 58.200 0.061 0.000 0.996 15 S CB -0.623 62.631 63.200 0.090 0.000 0.882 15 S HN 0.567 nan 8.310 nan 0.000 0.445 16 G N 1.797 110.621 108.800 0.040 0.000 2.446 16 G HA2 -0.187 3.773 3.960 0.000 0.000 0.217 16 G HA3 -0.187 3.773 3.960 0.000 0.000 0.217 16 G C 1.466 176.368 174.900 0.004 0.000 1.168 16 G CA 1.106 46.218 45.100 0.021 0.000 0.771 16 G HN 0.408 nan 8.290 nan 0.000 0.551 17 M N 1.247 120.848 119.600 0.001 0.000 2.117 17 M HA 0.042 4.522 4.480 0.000 0.000 0.262 17 M C 3.043 179.335 176.300 -0.013 0.000 1.065 17 M CA 1.324 56.615 55.300 -0.014 0.000 1.114 17 M CB -1.441 31.148 32.600 -0.018 0.000 1.361 17 M HN 0.310 nan 8.290 nan 0.000 0.408 18 A N 0.439 123.257 122.820 -0.004 0.000 1.940 18 A HA -0.039 4.281 4.320 0.000 0.000 0.219 18 A C 2.475 180.056 177.584 -0.005 0.000 1.176 18 A CA 2.312 54.347 52.037 -0.003 0.000 0.631 18 A CB -0.907 18.097 19.000 0.007 0.000 0.814 18 A HN 0.496 nan 8.150 nan 0.000 0.446 19 A N -0.281 122.537 122.820 -0.005 0.000 1.873 19 A HA 0.208 4.528 4.320 0.000 0.000 0.215 19 A C 2.517 180.095 177.584 -0.011 0.000 1.186 19 A CA 2.010 54.038 52.037 -0.014 0.000 0.616 19 A CB -1.028 17.966 19.000 -0.011 0.000 0.823 19 A HN 1.065 nan 8.150 nan 0.000 0.442 20 A N -0.228 122.588 122.820 -0.007 0.000 1.930 20 A HA -0.145 4.175 4.320 0.000 0.000 0.217 20 A C 2.114 179.710 177.584 0.021 0.000 1.175 20 A CA 1.995 54.031 52.037 -0.000 0.000 0.627 20 A CB -0.443 18.544 19.000 -0.021 0.000 0.815 20 A HN 0.569 nan 8.150 nan 0.000 0.443 21 K N -0.379 120.026 120.400 0.007 0.000 2.026 21 K HA -0.107 4.213 4.320 0.000 0.000 0.208 21 K C 1.976 178.609 176.600 0.056 0.000 1.048 21 K CA 1.566 57.870 56.287 0.029 0.000 0.929 21 K CB -0.320 32.182 32.500 0.004 0.000 0.713 21 K HN 0.452 nan 8.250 nan 0.000 0.439 22 L N 1.073 122.309 121.223 0.021 0.000 1.994 22 L HA -0.184 4.156 4.340 0.000 0.000 0.208 22 L C 2.211 179.086 176.870 0.007 0.000 1.071 22 L CA 1.207 56.050 54.840 0.005 0.000 0.745 22 L CB -0.229 41.819 42.059 -0.019 0.000 0.892 22 L HN 0.273 nan 8.230 nan 0.000 0.431 23 L N -0.777 120.451 121.223 0.007 0.000 2.013 23 L HA -0.328 4.012 4.340 0.000 0.000 0.212 23 L C 2.642 179.537 176.870 0.040 0.000 1.073 23 L CA 1.862 56.706 54.840 0.007 0.000 0.753 23 L CB -0.926 41.135 42.059 0.003 0.000 0.890 23 L HN 0.458 nan 8.230 nan 0.000 0.432 24 H N 0.223 119.280 119.070 -0.021 0.000 2.321 24 H HA -0.191 4.365 4.556 0.000 0.000 0.300 24 H C 1.823 177.142 175.328 -0.014 0.000 1.087 24 H CA 2.055 58.094 56.048 -0.014 0.000 1.319 24 H CB -0.019 29.735 29.762 -0.013 0.000 1.379 24 H HN 0.240 nan 8.280 nan 0.000 0.501 25 D N -0.473 119.936 120.400 0.015 0.000 2.265 25 D HA -0.105 4.535 4.640 0.000 0.000 0.208 25 D C 1.762 178.020 176.300 -0.069 0.000 0.977 25 D CA 1.288 55.263 54.000 -0.043 0.000 0.871 25 D CB -0.235 40.573 40.800 0.014 0.000 0.925 25 D HN 0.344 nan 8.370 nan 0.000 0.485 26 S N -1.121 114.545 115.700 -0.056 0.000 2.593 26 S HA 0.277 4.747 4.470 0.000 0.000 0.217 26 S C 1.600 176.159 174.600 -0.068 0.000 0.966 26 S CA 0.508 58.676 58.200 -0.054 0.000 0.914 26 S CB 0.666 63.840 63.200 -0.042 0.000 0.776 26 S HN 0.447 nan 8.310 nan 0.000 0.523 27 G N 1.133 109.868 108.800 -0.109 0.000 2.141 27 G HA2 -0.198 3.762 3.960 0.000 0.000 0.231 27 G HA3 -0.198 3.762 3.960 0.000 0.000 0.231 27 G C -0.048 174.810 174.900 -0.071 0.000 0.984 27 G CA -0.320 44.714 45.100 -0.109 0.000 0.660 27 G HN 0.429 nan 8.290 nan 0.000 0.525 28 L N 0.552 121.747 121.223 -0.046 0.000 2.399 28 L HA 0.407 4.747 4.340 0.000 0.000 0.266 28 L C 0.121 177.007 176.870 0.026 0.000 1.114 28 L CA -1.017 53.821 54.840 -0.003 0.000 0.804 28 L CB 0.691 42.755 42.059 0.008 0.000 1.146 28 L HN 0.012 nan 8.230 nan 0.000 0.451 29 N N 2.277 121.003 118.700 0.043 0.000 2.406 29 N HA 0.251 4.991 4.740 0.000 0.000 0.251 29 N C -0.576 174.978 175.510 0.075 0.000 1.069 29 N CA -0.075 53.017 53.050 0.070 0.000 0.947 29 N CB 1.497 40.019 38.487 0.057 0.000 1.111 29 N HN 0.357 nan 8.380 nan 0.000 0.497 30 V N 0.120 120.088 119.914 0.089 0.000 2.769 30 V HA 0.745 4.865 4.120 0.000 0.000 0.312 30 V C 0.028 176.143 176.094 0.035 0.000 1.058 30 V CA -0.738 61.597 62.300 0.058 0.000 0.952 30 V CB 1.985 33.839 31.823 0.051 0.000 1.019 30 V HN 0.151 nan 8.190 nan 0.000 0.445 31 V N 3.031 122.946 119.914 0.003 0.000 2.735 31 V HA 0.589 4.709 4.120 0.000 0.000 0.310 31 V C -0.467 175.572 176.094 -0.091 0.000 1.061 31 V CA -0.542 61.731 62.300 -0.045 0.000 0.913 31 V CB 2.207 33.995 31.823 -0.058 0.000 1.005 31 V HN 0.839 nan 8.190 nan 0.000 0.428 32 V N 5.641 125.491 119.914 -0.107 0.000 2.384 32 V HA 0.483 4.603 4.120 0.000 0.000 0.287 32 V C -0.367 175.632 176.094 -0.158 0.000 1.020 32 V CA -0.471 61.764 62.300 -0.108 0.000 0.850 32 V CB 1.597 33.376 31.823 -0.074 0.000 0.987 32 V HN 0.618 nan 8.190 nan 0.000 0.436 33 L N 4.420 125.535 121.223 -0.179 0.000 2.262 33 L HA 0.608 4.948 4.340 0.000 0.000 0.288 33 L C -0.198 176.588 176.870 -0.140 0.000 1.035 33 L CA -0.387 54.329 54.840 -0.205 0.000 0.820 33 L CB 1.386 43.279 42.059 -0.276 0.000 1.204 33 L HN 0.597 nan 8.230 nan 0.000 0.424 34 E N 2.309 122.431 120.200 -0.130 0.000 2.145 34 E HA 0.471 4.821 4.350 0.000 0.000 0.270 34 E C 0.465 176.958 176.600 -0.179 0.000 0.906 34 E CA -0.289 56.037 56.400 -0.124 0.000 0.761 34 E CB 2.019 31.669 29.700 -0.083 0.000 1.116 34 E HN 0.564 nan 8.360 nan 0.000 0.408 35 A N 5.577 128.228 122.820 -0.281 0.000 1.908 35 A HA -0.101 4.219 4.320 0.000 0.000 0.218 35 A C 1.136 178.476 177.584 -0.406 0.000 1.181 35 A CA 1.141 52.868 52.037 -0.516 0.000 0.627 35 A CB -0.209 18.105 19.000 -1.143 0.000 0.818 35 A HN 0.607 nan 8.150 nan 0.000 0.445 36 R N -0.235 120.109 120.500 -0.260 0.000 2.583 36 R HA 0.233 4.573 4.340 0.000 0.000 0.268 36 R C 0.215 176.470 176.300 -0.076 0.000 1.101 36 R CA 0.152 56.177 56.100 -0.126 0.000 1.180 36 R CB 0.204 30.472 30.300 -0.054 0.000 1.128 36 R HN 0.477 nan 8.270 nan 0.000 0.568 37 D N 0.559 120.935 120.400 -0.041 0.000 2.338 37 D HA -0.047 4.593 4.640 0.000 0.000 0.239 37 D C -0.109 176.190 176.300 -0.002 0.000 1.095 37 D CA 0.164 54.153 54.000 -0.020 0.000 0.888 37 D CB -0.056 40.739 40.800 -0.008 0.000 0.899 37 D HN 0.436 nan 8.370 nan 0.000 0.525 38 R N -1.312 119.188 120.500 -0.000 0.000 2.710 38 R HA 0.560 4.900 4.340 0.000 0.000 0.270 38 R C -0.781 175.536 176.300 0.028 0.000 1.021 38 R CA -1.098 55.021 56.100 0.031 0.000 0.889 38 R CB 1.152 31.494 30.300 0.070 0.000 1.243 38 R HN -0.099 nan 8.270 nan 0.000 0.464 39 V N -1.278 118.661 119.914 0.041 0.000 3.262 39 V HA 0.864 4.984 4.120 0.000 0.000 0.313 39 V C 0.945 177.090 176.094 0.085 0.000 1.070 39 V CA 0.431 62.755 62.300 0.041 0.000 1.049 39 V CB 0.813 32.645 31.823 0.016 0.000 1.157 39 V HN 1.211 nan 8.190 nan 0.000 0.454 40 G N -0.834 108.015 108.800 0.081 0.000 2.307 40 G HA2 0.171 4.131 3.960 0.000 0.000 0.210 40 G HA3 0.171 4.131 3.960 0.000 0.000 0.210 40 G C 1.597 176.579 174.900 0.137 0.000 1.005 40 G CA 0.721 45.889 45.100 0.113 0.000 0.634 40 G HN 2.641 nan 8.290 nan 0.000 0.496 41 G N 0.532 109.423 108.800 0.152 0.000 2.602 41 G HA2 -0.390 3.570 3.960 0.000 0.000 0.310 41 G HA3 -0.390 3.570 3.960 0.000 0.000 0.310 41 G C 0.904 175.942 174.900 0.230 0.000 1.183 41 G CA 1.390 46.591 45.100 0.169 0.000 0.979 41 G HN 1.175 nan 8.290 nan 0.000 0.545 42 R N 1.817 122.361 120.500 0.074 0.000 2.323 42 R HA 0.232 4.572 4.340 0.000 0.000 0.198 42 R C 1.093 177.287 176.300 -0.178 0.000 0.988 42 R CA 1.046 57.006 56.100 -0.234 0.000 1.041 42 R CB -0.159 29.965 30.300 -0.293 0.000 0.926 42 R HN 0.718 nan 8.270 nan 0.000 0.476 43 T N -2.438 112.161 114.554 0.075 0.000 2.867 43 T HA 0.362 4.712 4.350 0.000 0.000 0.282 43 T C -0.943 173.980 174.700 0.370 0.000 1.000 43 T CA -0.623 61.574 62.100 0.162 0.000 1.042 43 T CB 1.599 70.530 68.868 0.105 0.000 0.973 43 T HN 0.104 nan 8.240 nan 0.000 0.465 44 Y N 1.185 121.628 120.300 0.239 0.000 2.287 44 Y HA 0.402 4.952 4.550 0.000 0.000 0.321 44 Y C -1.146 174.869 175.900 0.193 0.000 1.173 44 Y CA -0.844 57.403 58.100 0.244 0.000 1.124 44 Y CB 1.467 40.143 38.460 0.360 0.000 1.201 44 Y HN 0.870 nan 8.280 nan 0.000 0.421 45 T N 7.867 122.262 114.554 -0.266 0.000 2.781 45 T HA 0.347 4.697 4.350 0.000 0.000 0.305 45 T C -0.606 173.778 174.700 -0.527 0.000 1.001 45 T CA -0.357 61.575 62.100 -0.280 0.000 0.950 45 T CB 0.265 69.085 68.868 -0.080 0.000 0.955 45 T HN 0.574 nan 8.240 nan 0.000 0.471 46 L N 4.648 125.553 121.223 -0.530 0.000 2.380 46 L HA 0.526 4.866 4.340 0.000 0.000 0.273 46 L C -0.078 176.722 176.870 -0.117 0.000 1.138 46 L CA 0.118 54.743 54.840 -0.358 0.000 0.832 46 L CB 0.322 42.265 42.059 -0.193 0.000 1.124 46 L HN 0.458 nan 8.230 nan 0.000 0.454 47 R N 3.557 124.017 120.500 -0.067 0.000 2.494 47 R HA 0.644 4.984 4.340 0.000 0.000 0.305 47 R C -1.056 175.230 176.300 -0.024 0.000 0.959 47 R CA -0.580 55.507 56.100 -0.022 0.000 0.864 47 R CB 1.392 31.691 30.300 -0.003 0.000 1.159 47 R HN 0.895 nan 8.270 nan 0.000 0.446 48 N N -1.192 117.481 118.700 -0.045 0.000 3.020 48 N HA 0.020 4.760 4.740 0.000 0.000 0.248 48 N C -0.231 175.233 175.510 -0.076 0.000 1.480 48 N CA -0.949 52.072 53.050 -0.049 0.000 0.874 48 N CB 0.690 39.151 38.487 -0.043 0.000 1.433 48 N HN 0.323 nan 8.380 nan 0.000 0.530 49 Q N -0.349 119.411 119.800 -0.066 0.000 2.230 49 Q HA 0.012 4.352 4.340 0.000 0.000 0.202 49 Q C 0.469 176.434 176.000 -0.057 0.000 0.963 49 Q CA 1.227 57.004 55.803 -0.043 0.000 0.866 49 Q CB 0.066 28.785 28.738 -0.030 0.000 0.931 49 Q HN 0.534 nan 8.270 nan 0.000 0.452 50 K N 0.117 120.395 120.400 -0.205 0.000 2.103 50 K HA -0.053 4.267 4.320 0.000 0.000 0.204 50 K C 2.020 178.460 176.600 -0.267 0.000 1.052 50 K CA 1.345 57.416 56.287 -0.361 0.000 0.945 50 K CB 0.030 31.948 32.500 -0.971 0.000 0.722 50 K HN 0.309 nan 8.250 nan 0.000 0.443 51 V N -2.271 117.447 119.914 -0.327 0.000 3.661 51 V HA 0.189 4.309 4.120 0.000 0.000 0.271 51 V C 1.492 177.218 176.094 -0.613 0.000 1.315 51 V CA 0.863 62.925 62.300 -0.397 0.000 1.072 51 V CB 0.135 31.772 31.823 -0.309 0.000 0.830 51 V HN 0.329 nan 8.190 nan 0.000 0.443 52 K N 0.653 120.765 120.400 -0.480 0.000 10.883 52 K HA -0.313 4.007 4.320 0.000 0.000 0.526 52 K C 0.163 176.668 176.600 -0.159 0.000 0.382 52 K CA 2.508 58.550 56.287 -0.409 0.000 1.943 52 K CB -1.567 30.484 32.500 -0.747 0.000 0.766 52 K HN 0.968 nan 8.250 nan 0.000 1.214 53 Y N -1.715 118.445 120.300 -0.234 0.000 2.571 53 Y HA 0.751 5.301 4.550 0.000 0.000 0.341 53 Y C -1.215 174.644 175.900 -0.068 0.000 1.076 53 Y CA -0.699 57.324 58.100 -0.128 0.000 1.029 53 Y CB 2.083 40.485 38.460 -0.097 0.000 1.308 53 Y HN 0.061 nan 8.280 nan 0.000 0.461 54 V N 2.260 122.227 119.914 0.088 0.000 2.817 54 V HA 0.339 4.459 4.120 0.000 0.000 0.303 54 V C -1.595 174.554 176.094 0.092 0.000 1.151 54 V CA -0.662 61.689 62.300 0.085 0.000 0.929 54 V CB 1.945 33.834 31.823 0.109 0.000 1.030 54 V HN 0.925 nan 8.190 nan 0.000 0.427 55 D N 5.437 125.905 120.400 0.113 0.000 2.358 55 D HA 0.280 4.920 4.640 0.000 0.000 0.258 55 D C 0.824 177.205 176.300 0.134 0.000 1.223 55 D CA 0.285 54.339 54.000 0.090 0.000 0.886 55 D CB 1.799 42.627 40.800 0.047 0.000 1.120 55 D HN 0.511 nan 8.370 nan 0.000 0.482 56 L N 1.526 122.884 121.223 0.224 0.000 2.554 56 L HA 0.225 4.565 4.340 0.000 0.000 0.225 56 L C 1.507 178.772 176.870 0.659 0.000 1.104 56 L CA 0.047 55.120 54.840 0.389 0.000 0.866 56 L CB 0.388 42.697 42.059 0.417 0.000 1.047 56 L HN 0.345 nan 8.230 nan 0.000 0.468 57 G N -0.810 108.296 108.800 0.510 0.000 3.286 57 G HA2 0.423 4.383 3.960 0.000 0.000 0.166 57 G HA3 0.423 4.383 3.960 0.000 0.000 0.166 57 G C -0.161 174.770 174.900 0.051 0.000 1.155 57 G CA -0.048 45.167 45.100 0.192 0.000 0.871 57 G HN 0.073 nan 8.290 nan 0.000 0.637 58 G N -0.702 108.060 108.800 -0.065 0.000 2.321 58 G HA2 0.363 4.323 3.960 0.000 0.000 0.237 58 G HA3 0.363 4.323 3.960 0.000 0.000 0.237 58 G C 0.567 175.441 174.900 -0.044 0.000 1.282 58 G CA 0.995 46.059 45.100 -0.060 0.000 0.886 58 G HN 0.949 nan 8.290 nan 0.000 0.528 59 S N 1.315 116.931 115.700 -0.140 0.000 3.330 59 S HA 0.182 4.652 4.470 0.000 0.000 0.259 59 S C 0.078 174.407 174.600 -0.452 0.000 1.095 59 S CA -0.317 57.691 58.200 -0.321 0.000 0.841 59 S CB -0.082 62.796 63.200 -0.537 0.000 0.890 59 S HN 0.485 nan 8.310 nan 0.000 0.446 60 Y N 2.988 123.240 120.300 -0.080 0.000 2.309 60 Y HA 0.543 5.093 4.550 0.000 0.000 0.327 60 Y C 0.375 176.138 175.900 -0.228 0.000 1.172 60 Y CA -0.355 57.645 58.100 -0.165 0.000 1.280 60 Y CB 1.090 39.496 38.460 -0.091 0.000 1.234 60 Y HN 0.163 nan 8.280 nan 0.000 0.512 61 V N -0.415 119.370 119.914 -0.216 0.000 3.102 61 V HA 1.107 5.227 4.120 0.000 0.000 0.312 61 V C -0.297 175.609 176.094 -0.314 0.000 1.135 61 V CA -0.486 61.617 62.300 -0.328 0.000 1.022 61 V CB 1.711 33.266 31.823 -0.447 0.000 1.056 61 V HN 0.966 nan 8.190 nan 0.000 0.436 62 G N 0.337 108.908 108.800 -0.382 0.000 2.606 62 G HA2 0.718 4.678 3.960 0.000 0.000 0.300 62 G HA3 0.718 4.678 3.960 0.000 0.000 0.300 62 G C -3.411 171.336 174.900 -0.254 0.000 1.360 62 G CA -1.121 43.806 45.100 -0.288 0.000 0.783 62 G HN 0.736 nan 8.290 nan 0.000 0.484 63 P HA 0.117 nan 4.420 nan 0.000 0.265 63 P C 0.738 178.038 177.300 -0.001 0.000 1.187 63 P CA 1.931 64.996 63.100 -0.058 0.000 0.766 63 P CB 0.947 32.638 31.700 -0.014 0.000 0.820 64 T N -1.278 113.303 114.554 0.045 0.000 6.424 64 T HA -0.246 4.104 4.350 0.000 0.000 0.279 64 T C 0.260 175.030 174.700 0.117 0.000 2.176 64 T CA 0.947 63.156 62.100 0.183 0.000 3.628 64 T CB -2.685 66.403 68.868 0.367 0.000 1.165 64 T HN 0.574 nan 8.240 nan 0.000 1.080 65 Q N 1.367 121.045 119.800 -0.202 0.000 3.150 65 Q HA 0.380 4.720 4.340 0.000 0.000 0.297 65 Q C 0.886 176.801 176.000 -0.143 0.000 1.382 65 Q CA -0.471 55.104 55.803 -0.381 0.000 1.059 65 Q CB 0.211 28.514 28.738 -0.725 0.000 1.559 65 Q HN 0.483 nan 8.270 nan 0.000 0.548 66 N N 0.752 119.445 118.700 -0.013 0.000 2.409 66 N HA -0.053 4.687 4.740 0.000 0.000 0.179 66 N C 1.167 176.694 175.510 0.028 0.000 1.032 66 N CA 0.734 53.795 53.050 0.019 0.000 0.898 66 N CB 0.296 38.816 38.487 0.055 0.000 0.971 66 N HN 0.375 nan 8.380 nan 0.000 0.441 67 R N 0.409 120.932 120.500 0.038 0.000 2.073 67 R HA 0.031 4.371 4.340 0.000 0.000 0.229 67 R C 1.970 178.289 176.300 0.032 0.000 1.120 67 R CA 0.696 56.821 56.100 0.042 0.000 0.967 67 R CB -0.267 30.070 30.300 0.063 0.000 0.862 67 R HN 0.092 nan 8.270 nan 0.000 0.436 68 I N 1.072 121.657 120.570 0.024 0.000 2.353 68 I HA -0.153 4.017 4.170 0.000 0.000 0.248 68 I C 1.775 177.960 176.117 0.113 0.000 1.119 68 I CA 1.265 62.603 61.300 0.062 0.000 1.417 68 I CB 0.003 38.049 38.000 0.076 0.000 1.078 68 I HN 0.076 nan 8.210 nan 0.000 0.421 69 L N 0.243 121.516 121.223 0.083 0.000 2.017 69 L HA -0.185 4.155 4.340 0.000 0.000 0.208 69 L C 2.761 179.675 176.870 0.075 0.000 1.073 69 L CA 1.409 56.313 54.840 0.107 0.000 0.745 69 L CB -0.906 41.175 42.059 0.037 0.000 0.894 69 L HN 0.254 nan 8.230 nan 0.000 0.432 70 R N 0.810 121.336 120.500 0.042 0.000 2.066 70 R HA -0.188 4.152 4.340 0.000 0.000 0.232 70 R C 2.335 178.642 176.300 0.011 0.000 1.131 70 R CA 1.722 57.838 56.100 0.027 0.000 0.955 70 R CB -0.726 29.589 30.300 0.024 0.000 0.851 70 R HN 0.239 nan 8.270 nan 0.000 0.432 71 L N 1.236 122.462 121.223 0.006 0.000 1.990 71 L HA -0.145 4.195 4.340 0.000 0.000 0.213 71 L C 2.450 179.285 176.870 -0.059 0.000 1.072 71 L CA 2.539 57.367 54.840 -0.021 0.000 0.755 71 L CB -0.890 41.157 42.059 -0.020 0.000 0.889 71 L HN 0.273 nan 8.230 nan 0.000 0.432 72 A N -0.919 121.853 122.820 -0.080 0.000 1.898 72 A HA -0.244 4.076 4.320 0.000 0.000 0.216 72 A C 2.463 179.985 177.584 -0.104 0.000 1.181 72 A CA 1.870 53.786 52.037 -0.203 0.000 0.620 72 A CB -0.648 18.100 19.000 -0.421 0.000 0.819 72 A HN 0.515 nan 8.150 nan 0.000 0.442 73 K N -0.268 120.125 120.400 -0.012 0.000 2.057 73 K HA -0.210 4.110 4.320 0.000 0.000 0.207 73 K C 2.033 178.624 176.600 -0.015 0.000 1.049 73 K CA 1.712 58.002 56.287 0.005 0.000 0.931 73 K CB -0.154 32.363 32.500 0.028 0.000 0.714 73 K HN 0.650 nan 8.250 nan 0.000 0.440 74 E N 0.458 120.646 120.200 -0.021 0.000 2.204 74 E HA -0.143 4.207 4.350 0.000 0.000 0.194 74 E C 1.606 178.186 176.600 -0.034 0.000 0.989 74 E CA 0.572 56.960 56.400 -0.020 0.000 0.824 74 E CB 0.071 29.762 29.700 -0.015 0.000 0.756 74 E HN 0.338 nan 8.360 nan 0.000 0.477 75 L N -0.525 120.663 121.223 -0.058 0.000 2.599 75 L HA 0.173 4.513 4.340 0.000 0.000 0.230 75 L C 1.319 178.148 176.870 -0.069 0.000 1.141 75 L CA 0.456 55.252 54.840 -0.073 0.000 0.877 75 L CB 0.220 42.212 42.059 -0.111 0.000 1.009 75 L HN 0.352 nan 8.230 nan 0.000 0.447 76 G N 0.358 109.126 108.800 -0.053 0.000 2.132 76 G HA2 -0.239 3.721 3.960 0.000 0.000 0.228 76 G HA3 -0.239 3.721 3.960 0.000 0.000 0.228 76 G C 0.054 174.927 174.900 -0.045 0.000 1.000 76 G CA -0.253 44.824 45.100 -0.038 0.000 0.693 76 G HN 0.204 nan 8.290 nan 0.000 0.515 77 L N -0.342 120.841 121.223 -0.067 0.000 2.399 77 L HA 0.741 5.081 4.340 0.000 0.000 0.265 77 L C 0.635 177.536 176.870 0.052 0.000 1.089 77 L CA -0.786 54.019 54.840 -0.058 0.000 0.802 77 L CB 1.051 42.974 42.059 -0.228 0.000 1.180 77 L HN 0.189 nan 8.230 nan 0.000 0.454 78 E N -0.208 120.067 120.200 0.125 0.000 2.312 78 E HA 0.446 4.796 4.350 0.000 0.000 0.267 78 E C -0.983 175.780 176.600 0.270 0.000 0.894 78 E CA -0.698 55.802 56.400 0.166 0.000 0.773 78 E CB 2.474 32.244 29.700 0.117 0.000 1.241 78 E HN 0.664 nan 8.360 nan 0.000 0.432 79 T N -1.234 113.427 114.554 0.180 0.000 2.948 79 T HA 0.642 4.992 4.350 0.000 0.000 0.285 79 T C -0.766 174.011 174.700 0.128 0.000 1.019 79 T CA -0.654 61.478 62.100 0.053 0.000 1.013 79 T CB 0.727 69.510 68.868 -0.143 0.000 1.117 79 T HN 0.527 nan 8.240 nan 0.000 0.533 80 Y N -1.593 118.700 120.300 -0.011 0.000 2.562 80 Y HA 0.719 5.269 4.550 0.000 0.000 0.345 80 Y C -0.869 175.031 175.900 0.001 0.000 1.045 80 Y CA -1.521 56.586 58.100 0.012 0.000 1.028 80 Y CB 1.319 39.806 38.460 0.046 0.000 1.297 80 Y HN 0.661 nan 8.280 nan 0.000 0.463 81 K N 2.397 122.873 120.400 0.127 0.000 2.276 81 K HA 0.432 4.752 4.320 0.000 0.000 0.283 81 K C -0.750 175.913 176.600 0.104 0.000 1.044 81 K CA -0.773 55.536 56.287 0.037 0.000 0.944 81 K CB 1.581 34.112 32.500 0.050 0.000 1.012 81 K HN 0.583 nan 8.250 nan 0.000 0.472 82 V N 3.365 123.284 119.914 0.009 0.000 2.673 82 V HA -0.114 4.006 4.120 0.000 0.000 0.303 82 V C 0.582 176.721 176.094 0.075 0.000 1.046 82 V CA -0.086 62.257 62.300 0.072 0.000 1.126 82 V CB 0.254 32.092 31.823 0.024 0.000 0.934 82 V HN 0.734 nan 8.190 nan 0.000 0.487 83 N N 4.022 122.786 118.700 0.107 0.000 2.434 83 N HA -0.011 4.729 4.740 0.000 0.000 0.268 83 N C 0.288 175.818 175.510 0.033 0.000 1.256 83 N CA 0.592 53.692 53.050 0.083 0.000 0.914 83 N CB 0.211 38.770 38.487 0.121 0.000 1.088 83 N HN 0.823 nan 8.380 nan 0.000 0.478 84 E N 2.916 123.126 120.200 0.017 0.000 3.191 84 E HA 0.115 4.465 4.350 0.000 0.000 0.192 84 E C 0.290 176.887 176.600 -0.005 0.000 0.972 84 E CA -0.077 56.316 56.400 -0.012 0.000 1.266 84 E CB 0.211 29.891 29.700 -0.033 0.000 1.076 84 E HN 0.440 nan 8.360 nan 0.000 0.462 85 V N 0.459 120.380 119.914 0.013 0.000 2.358 85 V HA -0.148 3.972 4.120 0.000 0.000 0.246 85 V C 0.938 177.035 176.094 0.005 0.000 1.047 85 V CA 1.578 63.884 62.300 0.009 0.000 1.035 85 V CB -0.158 31.673 31.823 0.012 0.000 0.658 85 V HN 0.260 nan 8.190 nan 0.000 0.452 86 E N -0.728 119.480 120.200 0.015 0.000 3.099 86 E HA 0.410 4.760 4.350 0.000 0.000 0.259 86 E C 0.198 176.803 176.600 0.009 0.000 1.274 86 E CA -0.672 55.740 56.400 0.020 0.000 1.111 86 E CB 0.267 29.991 29.700 0.042 0.000 1.327 86 E HN 0.286 nan 8.360 nan 0.000 0.652 87 R N 0.216 120.743 120.500 0.044 0.000 2.539 87 R HA 0.277 4.617 4.340 0.000 0.000 0.275 87 R C -0.501 175.752 176.300 -0.078 0.000 1.077 87 R CA -0.564 55.536 56.100 -0.000 0.000 1.097 87 R CB 0.143 30.511 30.300 0.112 0.000 1.018 87 R HN 0.171 nan 8.270 nan 0.000 0.483 88 L N 2.639 123.634 121.223 -0.381 0.000 2.456 88 L HA 0.365 4.705 4.340 0.000 0.000 0.257 88 L C 0.201 176.858 176.870 -0.354 0.000 1.162 88 L CA 0.229 54.758 54.840 -0.518 0.000 0.808 88 L CB 0.442 41.903 42.059 -0.997 0.000 1.136 88 L HN 0.466 nan 8.230 nan 0.000 0.466 89 I N 0.315 120.825 120.570 -0.099 0.000 2.465 89 I HA 0.282 4.452 4.170 0.000 0.000 0.291 89 I C -0.577 175.831 176.117 0.486 0.000 1.014 89 I CA -0.476 60.913 61.300 0.148 0.000 1.093 89 I CB 1.573 39.512 38.000 -0.102 0.000 1.267 89 I HN 0.539 nan 8.210 nan 0.000 0.431 90 H N 5.341 124.734 119.070 0.537 0.000 2.551 90 H HA 0.329 4.885 4.556 0.000 0.000 0.321 90 H C -1.363 174.205 175.328 0.401 0.000 1.028 90 H CA -0.737 55.572 56.048 0.434 0.000 1.215 90 H CB 0.952 30.895 29.762 0.301 0.000 1.414 90 H HN 0.630 nan 8.280 nan 0.000 0.480 91 H N 4.490 123.662 119.070 0.170 0.000 2.541 91 H HA 0.426 4.982 4.556 0.000 0.000 0.316 91 H C -1.521 173.778 175.328 -0.049 0.000 1.043 91 H CA -0.456 55.625 56.048 0.054 0.000 1.232 91 H CB 0.916 30.722 29.762 0.073 0.000 1.406 91 H HN 0.339 nan 8.280 nan 0.000 0.469 92 V N 6.131 125.881 119.914 -0.274 0.000 2.808 92 V HA 0.250 4.370 4.120 0.000 0.000 0.308 92 V C -0.529 175.487 176.094 -0.130 0.000 1.099 92 V CA -0.837 61.351 62.300 -0.187 0.000 0.920 92 V CB 1.495 33.138 31.823 -0.299 0.000 1.014 92 V HN 1.064 nan 8.190 nan 0.000 0.425 93 K N 4.594 124.952 120.400 -0.071 0.000 3.096 93 K HA -0.205 4.115 4.320 0.000 0.000 0.266 93 K C 0.885 177.434 176.600 -0.085 0.000 1.043 93 K CA 0.912 57.179 56.287 -0.034 0.000 0.758 93 K CB -1.415 31.089 32.500 0.007 0.000 1.260 93 K HN 1.931 nan 8.250 nan 0.000 0.481 94 G N -0.367 108.324 108.800 -0.182 0.000 2.159 94 G HA2 -0.327 3.633 3.960 0.000 0.000 0.256 94 G HA3 -0.327 3.633 3.960 0.000 0.000 0.256 94 G C -0.150 174.576 174.900 -0.290 0.000 0.977 94 G CA 0.970 45.992 45.100 -0.130 0.000 0.652 94 G HN 0.367 nan 8.290 nan 0.000 0.531 95 K N -0.080 119.985 120.400 -0.557 0.000 2.435 95 K HA 0.654 4.974 4.320 0.000 0.000 0.251 95 K C -0.702 175.563 176.600 -0.558 0.000 0.954 95 K CA -0.653 55.371 56.287 -0.437 0.000 0.820 95 K CB 2.041 34.333 32.500 -0.347 0.000 1.292 95 K HN 0.071 nan 8.250 nan 0.000 0.436 96 S N 1.160 116.654 115.700 -0.342 0.000 2.525 96 S HA 0.461 4.931 4.470 0.000 0.000 0.290 96 S C -1.308 173.055 174.600 -0.396 0.000 1.152 96 S CA -0.584 57.521 58.200 -0.158 0.000 1.072 96 S CB 0.330 63.557 63.200 0.045 0.000 1.027 96 S HN 0.382 nan 8.310 nan 0.000 0.500 97 Y N 2.051 122.447 120.300 0.160 0.000 2.426 97 Y HA 0.358 4.908 4.550 0.000 0.000 0.325 97 Y C -2.517 173.594 175.900 0.352 0.000 0.989 97 Y CA -2.233 55.999 58.100 0.220 0.000 1.284 97 Y CB 0.940 39.518 38.460 0.195 0.000 1.104 97 Y HN 0.448 nan 8.280 nan 0.000 0.481 98 P HA 0.314 nan 4.420 nan 0.000 0.274 98 P C -0.840 176.762 177.300 0.502 0.000 1.231 98 P CA -0.051 63.285 63.100 0.392 0.000 0.790 98 P CB 0.739 32.647 31.700 0.348 0.000 0.951 99 F N -1.769 118.303 119.950 0.203 0.000 2.817 99 F HA 0.682 5.209 4.527 0.000 0.000 0.317 99 F C -1.271 174.607 175.800 0.131 0.000 1.168 99 F CA -1.285 56.819 58.000 0.174 0.000 0.911 99 F CB 1.294 40.400 39.000 0.177 0.000 1.337 99 F HN 0.056 nan 8.300 nan 0.000 0.464 100 R N 0.741 121.380 120.500 0.230 0.000 2.854 100 R HA 0.800 5.140 4.340 0.000 0.000 0.271 100 R C -0.457 175.993 176.300 0.250 0.000 0.994 100 R CA -0.742 55.412 56.100 0.089 0.000 0.945 100 R CB 1.882 32.232 30.300 0.084 0.000 1.194 100 R HN 1.539 nan 8.270 nan 0.000 0.476 101 G N 1.414 110.297 108.800 0.137 0.000 2.663 101 G HA2 -0.151 3.809 3.960 0.000 0.000 0.686 101 G HA3 -0.151 3.809 3.960 0.000 0.000 0.686 101 G C -2.160 172.851 174.900 0.186 0.000 1.288 101 G CA -0.856 44.341 45.100 0.162 0.000 0.836 101 G HN 0.453 nan 8.290 nan 0.000 0.584 102 P HA 0.124 nan 4.420 nan 0.000 0.220 102 P C 0.492 177.660 177.300 -0.220 0.000 1.152 102 P CA 1.069 64.075 63.100 -0.157 0.000 0.812 102 P CB 0.097 31.545 31.700 -0.420 0.000 0.792 103 F N 0.781 120.723 119.950 -0.013 0.000 2.443 103 F HA 0.436 4.963 4.527 0.000 0.000 0.335 103 F C -2.045 173.521 175.800 -0.391 0.000 1.104 103 F CA -3.084 54.791 58.000 -0.208 0.000 1.013 103 F CB 0.549 39.340 39.000 -0.348 0.000 1.136 103 F HN -0.306 nan 8.300 nan 0.000 0.470 104 P HA 0.053 nan 4.420 nan 0.000 0.263 104 P C -2.386 174.629 177.300 -0.476 0.000 1.195 104 P CA -0.752 61.653 63.100 -1.158 0.000 0.762 104 P CB -0.246 30.930 31.700 -0.874 0.000 0.799 105 P HA 0.083 nan 4.420 nan 0.000 0.272 105 P C -0.895 176.213 177.300 -0.320 0.000 1.223 105 P CA 0.108 63.039 63.100 -0.282 0.000 0.784 105 P CB 0.676 32.234 31.700 -0.237 0.000 0.923 106 V N 2.275 121.964 119.914 -0.374 0.000 2.483 106 V HA 0.193 4.313 4.120 0.000 0.000 0.297 106 V C 0.344 176.239 176.094 -0.332 0.000 1.027 106 V CA -0.213 61.905 62.300 -0.303 0.000 0.855 106 V CB 1.457 33.068 31.823 -0.352 0.000 0.995 106 V HN 0.690 nan 8.190 nan 0.000 0.424 107 W N 1.199 122.474 121.300 -0.042 0.000 2.574 107 W HA 0.157 4.817 4.660 0.000 0.000 0.282 107 W C 1.474 177.982 176.519 -0.019 0.000 1.197 107 W CA 0.023 57.346 57.345 -0.037 0.000 1.376 107 W CB 0.255 29.691 29.460 -0.040 0.000 1.091 107 W HN 0.529 nan 8.180 nan 0.000 0.569 108 N N 1.990 120.814 118.700 0.207 0.000 2.414 108 N HA -0.058 4.682 4.740 0.000 0.000 0.268 108 N C -1.848 173.740 175.510 0.129 0.000 1.286 108 N CA -0.305 52.830 53.050 0.140 0.000 0.896 108 N CB 1.221 39.769 38.487 0.103 0.000 1.093 108 N HN -0.107 nan 8.380 nan 0.000 0.480 109 P HA -0.107 nan 4.420 nan 0.000 0.215 109 P C 1.543 178.920 177.300 0.130 0.000 1.153 109 P CA 0.767 63.929 63.100 0.104 0.000 0.853 109 P CB 0.324 32.062 31.700 0.064 0.000 0.788 110 I N -0.810 119.818 120.570 0.097 0.000 2.202 110 I HA -0.162 4.008 4.170 0.000 0.000 0.242 110 I C 1.948 178.126 176.117 0.102 0.000 1.091 110 I CA 1.877 63.226 61.300 0.082 0.000 1.368 110 I CB -2.041 36.001 38.000 0.069 0.000 1.058 110 I HN 0.020 nan 8.210 nan 0.000 0.410 111 T N 0.433 115.059 114.554 0.121 0.000 2.788 111 T HA -0.238 4.112 4.350 0.000 0.000 0.268 111 T C 1.875 176.672 174.700 0.161 0.000 1.044 111 T CA 1.393 63.585 62.100 0.154 0.000 1.139 111 T CB -0.595 68.349 68.868 0.126 0.000 0.867 111 T HN 0.332 nan 8.240 nan 0.000 0.454 112 Y N 1.848 122.150 120.300 0.002 0.000 2.181 112 Y HA -0.092 4.458 4.550 0.000 0.000 0.288 112 Y C 2.000 177.903 175.900 0.005 0.000 1.146 112 Y CA 1.090 59.164 58.100 -0.045 0.000 1.164 112 Y CB -0.508 37.889 38.460 -0.104 0.000 0.982 112 Y HN 0.112 nan 8.280 nan 0.000 0.515 113 L N -0.077 121.186 121.223 0.067 0.000 2.042 113 L HA -0.242 4.098 4.340 0.000 0.000 0.210 113 L C 2.205 179.017 176.870 -0.097 0.000 1.076 113 L CA 1.878 56.700 54.840 -0.030 0.000 0.749 113 L CB -0.671 41.397 42.059 0.015 0.000 0.893 113 L HN 0.255 nan 8.230 nan 0.000 0.432 114 D N -0.924 119.463 120.400 -0.023 0.000 2.097 114 D HA -0.194 4.446 4.640 0.000 0.000 0.197 114 D C 2.180 178.457 176.300 -0.037 0.000 0.984 114 D CA 1.261 55.255 54.000 -0.010 0.000 0.826 114 D CB 0.029 40.862 40.800 0.054 0.000 0.973 114 D HN 0.293 nan 8.370 nan 0.000 0.460 115 H N -0.101 118.893 119.070 -0.126 0.000 2.290 115 H HA -0.135 4.421 4.556 0.000 0.000 0.298 115 H C 2.173 177.435 175.328 -0.110 0.000 1.087 115 H CA 1.317 57.304 56.048 -0.102 0.000 1.291 115 H CB -0.275 29.435 29.762 -0.086 0.000 1.369 115 H HN 0.303 nan 8.280 nan 0.000 0.492 116 N N 1.096 119.657 118.700 -0.232 0.000 2.069 116 N HA -0.186 4.554 4.740 0.000 0.000 0.191 116 N C 1.839 177.247 175.510 -0.169 0.000 1.031 116 N CA 0.939 53.803 53.050 -0.309 0.000 0.852 116 N CB -0.239 37.911 38.487 -0.562 0.000 1.018 116 N HN 0.392 nan 8.380 nan 0.000 0.423 117 N N -0.097 118.513 118.700 -0.150 0.000 2.166 117 N HA -0.188 4.552 4.740 0.000 0.000 0.186 117 N C 1.858 177.297 175.510 -0.118 0.000 1.019 117 N CA 0.777 53.754 53.050 -0.122 0.000 0.856 117 N CB -0.270 38.155 38.487 -0.103 0.000 0.993 117 N HN 0.240 nan 8.380 nan 0.000 0.426 118 F N 0.759 120.556 119.950 -0.256 0.000 2.046 118 F HA -0.150 4.377 4.527 0.000 0.000 0.297 118 F C 1.776 177.362 175.800 -0.357 0.000 1.123 118 F CA 1.736 59.510 58.000 -0.377 0.000 1.199 118 F CB -1.027 37.600 39.000 -0.621 0.000 0.972 118 F HN 0.065 nan 8.300 nan 0.000 0.474 119 W N 0.583 121.526 121.300 -0.596 0.000 2.358 119 W HA -0.083 4.577 4.660 0.000 0.000 0.303 119 W C 2.832 179.059 176.519 -0.486 0.000 1.208 119 W CA 1.479 58.418 57.345 -0.677 0.000 1.274 119 W CB -0.739 28.428 29.460 -0.488 0.000 1.138 119 W HN -0.049 nan 8.180 nan 0.000 0.515 120 R N 0.154 120.557 120.500 -0.161 0.000 2.083 120 R HA -0.169 4.171 4.340 0.000 0.000 0.237 120 R C 1.934 178.122 176.300 -0.187 0.000 1.137 120 R CA 2.305 58.306 56.100 -0.166 0.000 0.951 120 R CB -0.669 29.534 30.300 -0.162 0.000 0.851 120 R HN 0.056 nan 8.270 nan 0.000 0.434 121 T N 1.094 115.513 114.554 -0.225 0.000 2.821 121 T HA -0.100 4.250 4.350 0.000 0.000 0.267 121 T C 1.808 176.359 174.700 -0.249 0.000 1.046 121 T CA 1.225 63.202 62.100 -0.205 0.000 1.139 121 T CB -0.045 68.722 68.868 -0.169 0.000 0.871 121 T HN 0.151 nan 8.240 nan 0.000 0.454 122 M N 1.751 121.130 119.600 -0.367 0.000 2.106 122 M HA -0.112 4.368 4.480 0.000 0.000 0.259 122 M C 1.769 177.951 176.300 -0.197 0.000 1.068 122 M CA 1.512 56.629 55.300 -0.306 0.000 1.100 122 M CB -1.105 31.269 32.600 -0.378 0.000 1.351 122 M HN 0.187 nan 8.290 nan 0.000 0.404 123 D N 0.220 120.516 120.400 -0.174 0.000 2.162 123 D HA -0.103 4.537 4.640 0.000 0.000 0.203 123 D C 1.607 177.844 176.300 -0.106 0.000 0.967 123 D CA 0.878 54.801 54.000 -0.128 0.000 0.840 123 D CB -0.253 40.480 40.800 -0.111 0.000 0.972 123 D HN 0.284 nan 8.370 nan 0.000 0.482 124 D N 0.501 120.837 120.400 -0.108 0.000 2.104 124 D HA -0.127 4.513 4.640 0.000 0.000 0.194 124 D C 2.196 178.481 176.300 -0.024 0.000 0.994 124 D CA 0.881 54.841 54.000 -0.068 0.000 0.830 124 D CB -0.235 40.522 40.800 -0.071 0.000 0.959 124 D HN 0.242 nan 8.370 nan 0.000 0.452 125 M N 0.145 119.701 119.600 -0.073 0.000 2.132 125 M HA -0.034 4.446 4.480 0.000 0.000 0.263 125 M C 2.348 178.677 176.300 0.049 0.000 1.065 125 M CA 1.596 56.862 55.300 -0.056 0.000 1.122 125 M CB -0.423 31.886 32.600 -0.484 0.000 1.365 125 M HN 0.023 nan 8.290 nan 0.000 0.411 126 G N 0.116 108.890 108.800 -0.043 0.000 2.442 126 G HA2 -0.206 3.754 3.960 0.000 0.000 0.219 126 G HA3 -0.206 3.754 3.960 0.000 0.000 0.219 126 G C 1.645 176.545 174.900 -0.001 0.000 1.141 126 G CA 0.575 45.658 45.100 -0.029 0.000 0.763 126 G HN 0.385 nan 8.290 nan 0.000 0.554 127 R N 0.198 120.692 120.500 -0.010 0.000 2.241 127 R HA -0.017 4.323 4.340 0.000 0.000 0.224 127 R C 1.791 178.102 176.300 0.018 0.000 1.101 127 R CA 0.779 56.870 56.100 -0.015 0.000 0.995 127 R CB 0.059 30.342 30.300 -0.029 0.000 0.870 127 R HN 0.321 nan 8.270 nan 0.000 0.463 128 E N 0.145 120.399 120.200 0.089 0.000 2.481 128 E HA 0.030 4.380 4.350 0.000 0.000 0.195 128 E C 0.224 176.855 176.600 0.053 0.000 1.047 128 E CA 0.489 56.939 56.400 0.083 0.000 0.867 128 E CB 0.327 30.128 29.700 0.168 0.000 0.858 128 E HN 0.342 nan 8.360 nan 0.000 0.513 129 I N 2.832 123.450 120.570 0.081 0.000 2.328 129 I HA 0.205 4.375 4.170 0.000 0.000 0.287 129 I C -2.437 173.684 176.117 0.007 0.000 1.012 129 I CA -2.418 58.924 61.300 0.069 0.000 1.195 129 I CB 1.440 39.548 38.000 0.180 0.000 1.350 129 I HN -0.351 nan 8.210 nan 0.000 0.464 130 P HA 0.114 nan 4.420 nan 0.000 0.267 130 P C 0.521 177.796 177.300 -0.042 0.000 1.205 130 P CA 0.171 63.204 63.100 -0.112 0.000 0.765 130 P CB 0.909 32.483 31.700 -0.209 0.000 0.828 131 S N 2.188 117.883 115.700 -0.008 0.000 2.383 131 S HA -0.176 4.294 4.470 0.000 0.000 0.229 131 S C 1.312 176.023 174.600 0.186 0.000 1.030 131 S CA 1.869 60.145 58.200 0.127 0.000 1.002 131 S CB -0.598 62.587 63.200 -0.025 0.000 0.829 131 S HN 0.679 nan 8.310 nan 0.000 0.467 132 D N 0.447 120.804 120.400 -0.072 0.000 2.349 132 D HA 0.229 4.869 4.640 0.000 0.000 0.215 132 D C 0.364 176.439 176.300 -0.374 0.000 1.016 132 D CA 0.450 54.355 54.000 -0.158 0.000 0.870 132 D CB 0.078 40.721 40.800 -0.261 0.000 0.917 132 D HN 0.289 nan 8.370 nan 0.000 0.524 133 A N 1.064 123.502 122.820 -0.637 0.000 3.399 133 A HA 0.365 4.685 4.320 0.000 0.000 0.262 133 A C -2.096 174.701 177.584 -1.311 0.000 1.145 133 A CA -0.787 50.390 52.037 -1.433 0.000 0.916 133 A CB 0.916 19.358 19.000 -0.930 0.000 1.360 133 A HN -0.107 nan 8.150 nan 0.000 0.628 134 P HA -0.185 nan 4.420 nan 0.000 0.218 134 P C 1.295 178.392 177.300 -0.337 0.000 1.148 134 P CA 1.543 64.344 63.100 -0.498 0.000 0.822 134 P CB -0.357 31.041 31.700 -0.504 0.000 0.784 135 W N 1.019 122.243 121.300 -0.128 0.000 2.632 135 W HA 0.061 4.721 4.660 0.000 0.000 0.248 135 W C 1.249 177.719 176.519 -0.082 0.000 1.259 135 W CA 0.410 57.700 57.345 -0.091 0.000 1.288 135 W CB -1.471 27.930 29.460 -0.098 0.000 1.136 135 W HN -0.093 nan 8.180 nan 0.000 0.640 136 K N 0.784 120.960 120.400 -0.373 0.000 2.404 136 K HA 0.294 4.614 4.320 0.000 0.000 0.194 136 K C 1.033 177.533 176.600 -0.168 0.000 1.023 136 K CA 0.277 56.437 56.287 -0.211 0.000 1.094 136 K CB -0.028 32.309 32.500 -0.272 0.000 0.841 136 K HN 0.112 nan 8.250 nan 0.000 0.523 137 A N 2.526 125.244 122.820 -0.169 0.000 2.531 137 A HA 0.065 4.385 4.320 0.000 0.000 0.236 137 A C -1.605 175.837 177.584 -0.237 0.000 1.062 137 A CA -0.922 51.007 52.037 -0.180 0.000 0.760 137 A CB 0.063 18.968 19.000 -0.158 0.000 0.995 137 A HN -0.024 nan 8.150 nan 0.000 0.501 138 P HA -0.142 nan 4.420 nan 0.000 0.216 138 P C 0.522 177.619 177.300 -0.338 0.000 1.153 138 P CA 1.287 64.241 63.100 -0.243 0.000 0.858 138 P CB 0.037 31.611 31.700 -0.208 0.000 0.789 139 L N -2.127 118.725 121.223 -0.619 0.000 2.984 139 L HA 0.341 4.681 4.340 0.000 0.000 0.246 139 L C 1.825 178.261 176.870 -0.724 0.000 1.268 139 L CA -0.328 54.061 54.840 -0.752 0.000 1.054 139 L CB -0.484 40.922 42.059 -1.089 0.000 1.393 139 L HN -0.101 nan 8.230 nan 0.000 0.532 140 A N 0.354 122.939 122.820 -0.392 0.000 1.892 140 A HA -0.201 4.119 4.320 0.000 0.000 0.218 140 A C 2.203 179.773 177.584 -0.023 0.000 1.188 140 A CA 1.611 53.563 52.037 -0.140 0.000 0.631 140 A CB -0.124 18.855 19.000 -0.036 0.000 0.822 140 A HN 0.496 nan 8.150 nan 0.000 0.447 141 E N -0.678 119.495 120.200 -0.044 0.000 2.031 141 E HA -0.242 4.108 4.350 0.000 0.000 0.193 141 E C 2.097 178.728 176.600 0.053 0.000 0.994 141 E CA 1.335 57.744 56.400 0.016 0.000 0.800 141 E CB -0.348 29.349 29.700 -0.004 0.000 0.752 141 E HN 0.857 nan 8.360 nan 0.000 0.447 142 E N 0.271 120.476 120.200 0.007 0.000 2.070 142 E HA -0.215 4.135 4.350 0.000 0.000 0.197 142 E C 1.844 178.615 176.600 0.285 0.000 1.004 142 E CA 1.453 57.911 56.400 0.096 0.000 0.805 142 E CB -0.070 29.655 29.700 0.042 0.000 0.744 142 E HN 0.260 nan 8.360 nan 0.000 0.451 143 W N 0.995 122.337 121.300 0.069 0.000 2.388 143 W HA -0.047 4.613 4.660 0.000 0.000 0.294 143 W C 2.011 178.599 176.519 0.115 0.000 1.212 143 W CA 0.873 58.272 57.345 0.089 0.000 1.271 143 W CB -1.110 28.404 29.460 0.090 0.000 1.126 143 W HN 0.249 nan 8.180 nan 0.000 0.535 144 D N -0.362 120.238 120.400 0.333 0.000 2.269 144 D HA -0.121 4.519 4.640 0.000 0.000 0.208 144 D C 1.196 177.623 176.300 0.212 0.000 0.963 144 D CA 0.892 55.052 54.000 0.265 0.000 0.864 144 D CB -0.246 40.684 40.800 0.217 0.000 0.936 144 D HN -0.100 nan 8.370 nan 0.000 0.505 145 N N -0.362 118.449 118.700 0.184 0.000 2.314 145 N HA 0.115 4.855 4.740 0.000 0.000 0.200 145 N C -0.210 175.379 175.510 0.133 0.000 1.135 145 N CA 0.088 53.221 53.050 0.140 0.000 0.835 145 N CB 0.302 38.854 38.487 0.108 0.000 0.989 145 N HN 0.310 nan 8.380 nan 0.000 0.478 146 M N 0.125 119.819 119.600 0.156 0.000 2.535 146 M HA 0.236 4.716 4.480 0.000 0.000 0.314 146 M C -0.230 176.148 176.300 0.130 0.000 1.153 146 M CA -0.606 54.771 55.300 0.128 0.000 0.924 146 M CB 1.875 34.557 32.600 0.138 0.000 1.710 146 M HN 0.016 nan 8.290 nan 0.000 0.451 147 T N 0.253 114.865 114.554 0.096 0.000 2.816 147 T HA 0.242 4.592 4.350 0.000 0.000 0.282 147 T C 1.150 175.882 174.700 0.052 0.000 0.993 147 T CA -0.859 61.292 62.100 0.085 0.000 0.994 147 T CB 0.829 69.736 68.868 0.065 0.000 1.025 147 T HN 0.685 nan 8.240 nan 0.000 0.529 148 M N 0.298 119.909 119.600 0.018 0.000 2.213 148 M HA -0.039 4.441 4.480 0.000 0.000 0.263 148 M C 2.211 178.468 176.300 -0.071 0.000 1.062 148 M CA 1.614 56.881 55.300 -0.055 0.000 1.105 148 M CB -1.301 31.174 32.600 -0.208 0.000 1.385 148 M HN 0.864 nan 8.290 nan 0.000 0.417 149 K N 0.616 120.982 120.400 -0.056 0.000 2.032 149 K HA -0.198 4.122 4.320 0.000 0.000 0.209 149 K C 1.724 178.300 176.600 -0.038 0.000 1.048 149 K CA 1.705 57.964 56.287 -0.046 0.000 0.927 149 K CB 0.018 32.519 32.500 0.002 0.000 0.712 149 K HN 0.395 nan 8.250 nan 0.000 0.441 150 E N 0.579 120.771 120.200 -0.013 0.000 2.058 150 E HA -0.231 4.119 4.350 0.000 0.000 0.194 150 E C 2.066 178.656 176.600 -0.018 0.000 0.997 150 E CA 1.253 57.647 56.400 -0.010 0.000 0.801 150 E CB -0.192 29.518 29.700 0.017 0.000 0.746 150 E HN 0.199 nan 8.360 nan 0.000 0.450 151 L N 1.287 122.503 121.223 -0.012 0.000 2.012 151 L HA -0.199 4.141 4.340 0.000 0.000 0.210 151 L C 2.121 178.974 176.870 -0.028 0.000 1.073 151 L CA 1.623 56.450 54.840 -0.021 0.000 0.748 151 L CB -0.444 41.597 42.059 -0.031 0.000 0.891 151 L HN 0.128 nan 8.230 nan 0.000 0.431 152 L N -0.718 120.476 121.223 -0.049 0.000 2.012 152 L HA -0.258 4.082 4.340 0.000 0.000 0.210 152 L C 2.328 179.132 176.870 -0.110 0.000 1.073 152 L CA 1.533 56.315 54.840 -0.097 0.000 0.748 152 L CB -1.128 40.832 42.059 -0.165 0.000 0.891 152 L HN 0.300 nan 8.230 nan 0.000 0.431 153 D N 0.463 120.803 120.400 -0.100 0.000 2.133 153 D HA -0.199 4.441 4.640 0.000 0.000 0.195 153 D C 2.191 178.414 176.300 -0.129 0.000 0.997 153 D CA 1.413 55.343 54.000 -0.116 0.000 0.840 153 D CB -0.115 40.628 40.800 -0.095 0.000 0.947 153 D HN 0.330 nan 8.370 nan 0.000 0.452 154 K N -0.502 119.853 120.400 -0.076 0.000 2.155 154 K HA -0.038 4.282 4.320 0.000 0.000 0.203 154 K C 1.860 178.469 176.600 0.015 0.000 1.052 154 K CA 0.297 56.555 56.287 -0.048 0.000 0.948 154 K CB 0.098 32.600 32.500 0.004 0.000 0.728 154 K HN 0.045 nan 8.250 nan 0.000 0.448 155 L N 0.161 121.404 121.223 0.032 0.000 2.298 155 L HA 0.111 4.451 4.340 0.000 0.000 0.209 155 L C 0.013 176.992 176.870 0.183 0.000 1.084 155 L CA 0.851 55.765 54.840 0.123 0.000 0.816 155 L CB 0.462 42.574 42.059 0.089 0.000 0.967 155 L HN -0.012 nan 8.230 nan 0.000 0.460 156 C N 0.162 119.482 119.300 0.032 0.000 2.246 156 C HA 0.190 4.650 4.460 0.000 0.000 0.329 156 C C 0.639 175.648 174.990 0.031 0.000 1.221 156 C CA -0.731 58.282 59.018 -0.008 0.000 1.697 156 C CB -1.170 26.447 27.740 -0.204 0.000 2.312 156 C HN 0.602 nan 8.230 nan 0.000 0.509 157 W N 2.013 123.259 121.300 -0.089 0.000 3.256 157 W HA 0.147 4.807 4.660 0.000 0.000 0.269 157 W C 1.373 177.862 176.519 -0.050 0.000 1.310 157 W CA 0.092 57.403 57.345 -0.057 0.000 1.673 157 W CB -0.121 29.317 29.460 -0.036 0.000 1.115 157 W HN 0.684 nan 8.180 nan 0.000 0.686 158 T N -3.943 110.666 114.554 0.093 0.000 2.893 158 T HA 0.284 4.634 4.350 0.000 0.000 0.293 158 T C 0.768 175.450 174.700 -0.031 0.000 1.027 158 T CA -0.639 61.488 62.100 0.045 0.000 0.988 158 T CB 2.601 71.518 68.868 0.082 0.000 1.043 158 T HN -0.215 nan 8.240 nan 0.000 0.461 159 E N 1.189 121.377 120.200 -0.021 0.000 2.153 159 E HA -0.107 4.243 4.350 0.000 0.000 0.194 159 E C 2.064 178.644 176.600 -0.032 0.000 0.988 159 E CA 1.144 57.520 56.400 -0.040 0.000 0.811 159 E CB -0.294 29.394 29.700 -0.020 0.000 0.746 159 E HN 0.729 nan 8.360 nan 0.000 0.466 160 S N 0.493 116.207 115.700 0.024 0.000 2.353 160 S HA -0.202 4.268 4.470 0.000 0.000 0.222 160 S C 2.054 176.640 174.600 -0.024 0.000 1.035 160 S CA 1.599 59.862 58.200 0.105 0.000 1.025 160 S CB -0.071 63.276 63.200 0.244 0.000 0.902 160 S HN 0.327 nan 8.310 nan 0.000 0.440 161 A N 1.316 123.964 122.820 -0.286 0.000 1.898 161 A HA -0.051 4.269 4.320 0.000 0.000 0.216 161 A C 2.152 179.373 177.584 -0.606 0.000 1.181 161 A CA 1.798 53.370 52.037 -0.774 0.000 0.620 161 A CB -0.729 17.852 19.000 -0.699 0.000 0.819 161 A HN 0.650 nan 8.150 nan 0.000 0.442 162 K N -0.361 119.806 120.400 -0.387 0.000 2.057 162 K HA -0.227 4.093 4.320 0.000 0.000 0.207 162 K C 2.186 178.630 176.600 -0.259 0.000 1.049 162 K CA 1.773 57.854 56.287 -0.343 0.000 0.931 162 K CB -0.220 32.146 32.500 -0.222 0.000 0.714 162 K HN 0.633 nan 8.250 nan 0.000 0.440 163 Q N 0.398 120.108 119.800 -0.150 0.000 2.050 163 Q HA -0.178 4.162 4.340 0.000 0.000 0.202 163 Q C 2.170 178.154 176.000 -0.027 0.000 0.980 163 Q CA 1.470 57.242 55.803 -0.052 0.000 0.840 163 Q CB -0.140 28.613 28.738 0.026 0.000 0.898 163 Q HN 0.230 nan 8.270 nan 0.000 0.424 164 L N 0.556 121.752 121.223 -0.044 0.000 2.046 164 L HA -0.116 4.224 4.340 0.000 0.000 0.208 164 L C 2.159 178.995 176.870 -0.056 0.000 1.077 164 L CA 2.006 56.866 54.840 0.034 0.000 0.747 164 L CB -0.774 41.350 42.059 0.108 0.000 0.896 164 L HN 0.154 nan 8.230 nan 0.000 0.432 165 A N -1.860 120.708 122.820 -0.419 0.000 1.933 165 A HA -0.199 4.121 4.320 0.000 0.000 0.218 165 A C 2.264 179.755 177.584 -0.155 0.000 1.175 165 A CA 2.237 53.933 52.037 -0.569 0.000 0.628 165 A CB -1.105 17.027 19.000 -1.447 0.000 0.814 165 A HN 0.502 nan 8.150 nan 0.000 0.444 166 T N -0.025 114.436 114.554 -0.156 0.000 2.737 166 T HA -0.086 4.264 4.350 0.000 0.000 0.265 166 T C 1.859 176.554 174.700 -0.009 0.000 1.038 166 T CA 1.311 63.355 62.100 -0.094 0.000 1.144 166 T CB -0.344 68.477 68.868 -0.078 0.000 0.866 166 T HN 0.399 nan 8.240 nan 0.000 0.434 167 L N 0.238 121.503 121.223 0.069 0.000 2.046 167 L HA -0.054 4.286 4.340 0.000 0.000 0.208 167 L C 2.237 179.220 176.870 0.189 0.000 1.077 167 L CA 1.426 56.349 54.840 0.138 0.000 0.747 167 L CB -0.391 41.787 42.059 0.197 0.000 0.896 167 L HN 0.206 nan 8.230 nan 0.000 0.432 168 F N -0.079 119.934 119.950 0.104 0.000 2.065 168 F HA -0.281 4.246 4.527 0.000 0.000 0.298 168 F C 2.117 178.014 175.800 0.161 0.000 1.112 168 F CA 2.265 60.389 58.000 0.207 0.000 1.212 168 F CB -0.773 38.439 39.000 0.354 0.000 0.975 168 F HN -0.124 nan 8.300 nan 0.000 0.476 169 V N 1.015 120.836 119.914 -0.155 0.000 2.295 169 V HA -0.349 3.771 4.120 0.000 0.000 0.246 169 V C 2.064 178.015 176.094 -0.238 0.000 1.049 169 V CA 2.433 64.462 62.300 -0.450 0.000 1.024 169 V CB -1.076 30.362 31.823 -0.641 0.000 0.648 169 V HN 0.420 nan 8.190 nan 0.000 0.447 170 N N 0.107 118.721 118.700 -0.144 0.000 2.104 170 N HA -0.221 4.519 4.740 0.000 0.000 0.190 170 N C 1.734 177.197 175.510 -0.078 0.000 1.024 170 N CA 1.329 54.317 53.050 -0.103 0.000 0.853 170 N CB -0.215 38.255 38.487 -0.028 0.000 1.008 170 N HN 0.324 nan 8.380 nan 0.000 0.424 171 L N 0.604 121.813 121.223 -0.024 0.000 2.109 171 L HA 0.015 4.355 4.340 0.000 0.000 0.207 171 L C 1.991 178.889 176.870 0.047 0.000 1.086 171 L CA 1.344 56.188 54.840 0.006 0.000 0.760 171 L CB -0.434 41.630 42.059 0.009 0.000 0.910 171 L HN 0.221 nan 8.230 nan 0.000 0.437 172 C N -1.443 117.860 119.300 0.005 0.000 2.466 172 C HA 0.007 4.467 4.460 0.000 0.000 0.278 172 C C 2.131 177.210 174.990 0.149 0.000 1.288 172 C CA 0.898 59.974 59.018 0.097 0.000 1.722 172 C CB -0.439 27.280 27.740 -0.034 0.000 2.017 172 C HN 0.542 nan 8.230 nan 0.000 0.488 173 V N -1.958 117.957 119.914 0.001 0.000 3.166 173 V HA 0.307 4.427 4.120 0.000 0.000 0.332 173 V C 0.733 176.701 176.094 -0.211 0.000 1.434 173 V CA 0.740 63.006 62.300 -0.055 0.000 1.121 173 V CB -1.362 30.553 31.823 0.153 0.000 1.062 173 V HN 0.515 nan 8.190 nan 0.000 0.489 174 T N -1.672 112.681 114.554 -0.335 0.000 3.897 174 T HA -0.103 4.247 4.350 0.000 0.000 0.353 174 T C 0.143 174.688 174.700 -0.260 0.000 0.758 174 T CA 1.341 63.223 62.100 -0.364 0.000 1.883 174 T CB -2.556 65.965 68.868 -0.578 0.000 1.849 174 T HN 2.441 nan 8.240 nan 0.000 0.791 175 A N -0.360 122.289 122.820 -0.285 0.000 2.587 175 A HA 0.720 5.040 4.320 0.000 0.000 0.293 175 A C -0.351 177.016 177.584 -0.362 0.000 1.087 175 A CA -1.048 50.742 52.037 -0.412 0.000 0.692 175 A CB 1.255 19.773 19.000 -0.804 0.000 1.291 175 A HN 0.333 nan 8.150 nan 0.000 0.407 176 E N 0.570 120.515 120.200 -0.426 0.000 2.373 176 E HA 0.215 4.565 4.350 0.000 0.000 0.263 176 E C 1.266 177.558 176.600 -0.514 0.000 1.073 176 E CA 0.574 56.690 56.400 -0.474 0.000 0.894 176 E CB 0.792 30.036 29.700 -0.761 0.000 1.008 176 E HN 0.801 nan 8.360 nan 0.000 0.420 177 T N -1.343 112.986 114.554 -0.375 0.000 2.833 177 T HA -0.199 4.151 4.350 0.000 0.000 0.269 177 T C 1.498 176.072 174.700 -0.210 0.000 1.054 177 T CA 1.621 63.553 62.100 -0.281 0.000 1.135 177 T CB -0.404 68.347 68.868 -0.196 0.000 0.869 177 T HN 0.627 nan 8.240 nan 0.000 0.466 178 H N 0.930 119.936 119.070 -0.107 0.000 2.545 178 H HA 0.173 4.729 4.556 0.000 0.000 0.282 178 H C 1.483 176.775 175.328 -0.060 0.000 1.020 178 H CA 1.089 57.093 56.048 -0.072 0.000 1.243 178 H CB -0.238 29.483 29.762 -0.068 0.000 1.377 178 H HN 0.525 nan 8.280 nan 0.000 0.581 179 E N 1.299 121.300 120.200 -0.333 0.000 2.250 179 E HA 0.056 4.406 4.350 0.000 0.000 0.192 179 E C 0.852 177.398 176.600 -0.091 0.000 0.986 179 E CA 0.434 56.715 56.400 -0.199 0.000 0.849 179 E CB 0.806 30.247 29.700 -0.432 0.000 0.797 179 E HN 0.361 nan 8.360 nan 0.000 0.482 180 V N -0.670 119.181 119.914 -0.106 0.000 2.630 180 V HA 0.400 4.520 4.120 0.000 0.000 0.305 180 V C 0.041 176.272 176.094 0.228 0.000 1.046 180 V CA -1.153 61.202 62.300 0.092 0.000 0.934 180 V CB 1.816 33.739 31.823 0.167 0.000 1.003 180 V HN -0.013 nan 8.190 nan 0.000 0.451 181 S N 3.421 119.339 115.700 0.364 0.000 2.533 181 S HA 0.441 4.911 4.470 0.000 0.000 0.282 181 S C 1.438 176.291 174.600 0.423 0.000 1.304 181 S CA 0.151 58.576 58.200 0.375 0.000 1.063 181 S CB 0.880 64.336 63.200 0.426 0.000 0.881 181 S HN 1.758 nan 8.310 nan 0.000 0.493 182 A N 5.062 128.057 122.820 0.292 0.000 1.883 182 A HA -0.060 4.260 4.320 0.000 0.000 0.217 182 A C 2.043 179.804 177.584 0.294 0.000 1.186 182 A CA 1.746 53.929 52.037 0.243 0.000 0.624 182 A CB -1.024 18.043 19.000 0.112 0.000 0.822 182 A HN 1.003 nan 8.150 nan 0.000 0.444 183 L N -1.393 120.043 121.223 0.354 0.000 1.990 183 L HA -0.186 4.154 4.340 0.000 0.000 0.213 183 L C 2.243 179.343 176.870 0.383 0.000 1.072 183 L CA 2.684 57.762 54.840 0.397 0.000 0.755 183 L CB -0.845 41.455 42.059 0.402 0.000 0.889 183 L HN 0.664 nan 8.230 nan 0.000 0.432 184 W N -0.452 121.011 121.300 0.273 0.000 2.335 184 W HA -0.305 4.355 4.660 0.000 0.000 0.311 184 W C 2.388 179.168 176.519 0.436 0.000 1.213 184 W CA 2.129 59.656 57.345 0.303 0.000 1.274 184 W CB -0.798 28.834 29.460 0.288 0.000 1.148 184 W HN 0.306 nan 8.180 nan 0.000 0.498 185 F N 0.746 120.737 119.950 0.068 0.000 2.102 185 F HA -0.186 4.341 4.527 0.000 0.000 0.298 185 F C 2.180 177.885 175.800 -0.160 0.000 1.105 185 F CA 2.303 60.139 58.000 -0.274 0.000 1.239 185 F CB -0.810 38.178 39.000 -0.020 0.000 0.991 185 F HN -0.161 nan 8.300 nan 0.000 0.474 186 L N -1.144 120.073 121.223 -0.011 0.000 2.042 186 L HA -0.246 4.094 4.340 0.000 0.000 0.210 186 L C 2.337 179.133 176.870 -0.123 0.000 1.076 186 L CA 1.877 56.663 54.840 -0.091 0.000 0.749 186 L CB -1.073 40.967 42.059 -0.032 0.000 0.893 186 L HN 0.477 nan 8.230 nan 0.000 0.432 187 W N 0.049 121.229 121.300 -0.200 0.000 2.355 187 W HA -0.315 4.345 4.660 0.000 0.000 0.309 187 W C 2.653 178.972 176.519 -0.333 0.000 1.206 187 W CA 1.618 58.833 57.345 -0.216 0.000 1.284 187 W CB -0.708 28.658 29.460 -0.156 0.000 1.145 187 W HN 0.119 nan 8.180 nan 0.000 0.502 188 Y N 0.614 120.470 120.300 -0.741 0.000 2.128 188 Y HA -0.303 4.247 4.550 0.000 0.000 0.284 188 Y C 2.350 177.699 175.900 -0.917 0.000 1.154 188 Y CA 3.027 60.470 58.100 -1.095 0.000 1.149 188 Y CB -0.804 36.967 38.460 -1.149 0.000 0.976 188 Y HN -0.129 nan 8.280 nan 0.000 0.505 189 V N 0.909 120.400 119.914 -0.705 0.000 2.307 189 V HA -0.268 3.852 4.120 0.000 0.000 0.245 189 V C 2.511 178.281 176.094 -0.540 0.000 1.045 189 V CA 2.159 64.128 62.300 -0.552 0.000 1.024 189 V CB -0.664 30.930 31.823 -0.383 0.000 0.651 189 V HN 0.321 nan 8.190 nan 0.000 0.449 190 K N 1.026 121.132 120.400 -0.489 0.000 2.032 190 K HA -0.285 4.035 4.320 0.000 0.000 0.209 190 K C 2.215 178.493 176.600 -0.536 0.000 1.048 190 K CA 2.451 58.488 56.287 -0.417 0.000 0.927 190 K CB -0.248 32.077 32.500 -0.292 0.000 0.712 190 K HN 0.714 nan 8.250 nan 0.000 0.441 191 Q N -0.489 118.851 119.800 -0.767 0.000 2.437 191 Q HA -0.063 4.277 4.340 0.000 0.000 0.210 191 Q C 1.678 177.177 176.000 -0.836 0.000 0.972 191 Q CA 1.452 56.803 55.803 -0.753 0.000 0.903 191 Q CB -0.628 27.491 28.738 -1.031 0.000 0.967 191 Q HN 0.211 nan 8.270 nan 0.000 0.486 192 C N 0.001 118.650 119.300 -1.084 0.000 2.697 192 C HA 0.585 5.045 4.460 0.000 0.000 0.267 192 C C 1.563 175.759 174.990 -1.322 0.000 1.278 192 C CA 0.181 58.153 59.018 -1.743 0.000 1.708 192 C CB -0.944 25.779 27.740 -1.696 0.000 1.860 192 C HN 0.838 nan 8.230 nan 0.000 0.589 193 G N -0.100 108.276 108.800 -0.705 0.000 2.163 193 G HA2 0.320 4.280 3.960 0.000 0.000 0.213 193 G HA3 0.320 4.280 3.960 0.000 0.000 0.213 193 G C 0.410 175.136 174.900 -0.290 0.000 0.991 193 G CA -0.061 44.803 45.100 -0.393 0.000 0.653 193 G HN 1.627 nan 8.290 nan 0.000 0.518 194 G N -2.136 106.475 108.800 -0.316 0.000 2.541 194 G HA2 0.374 4.334 3.960 0.000 0.000 0.686 194 G HA3 0.374 4.334 3.960 0.000 0.000 0.686 194 G C 0.919 175.758 174.900 -0.101 0.000 1.286 194 G CA 0.903 45.893 45.100 -0.184 0.000 0.894 194 G HN 1.794 nan 8.290 nan 0.000 0.575 195 T N -2.884 111.663 114.554 -0.012 0.000 2.777 195 T HA -0.085 4.265 4.350 0.000 0.000 0.266 195 T C 2.359 177.042 174.700 -0.028 0.000 1.040 195 T CA 2.878 65.023 62.100 0.075 0.000 1.141 195 T CB -0.767 68.193 68.868 0.154 0.000 0.868 195 T HN 0.921 nan 8.240 nan 0.000 0.444 196 T N 1.463 116.001 114.554 -0.026 0.000 2.708 196 T HA -0.059 4.291 4.350 0.000 0.000 0.266 196 T C 2.117 176.748 174.700 -0.115 0.000 1.037 196 T CA 1.568 63.610 62.100 -0.096 0.000 1.146 196 T CB -0.342 68.529 68.868 0.005 0.000 0.865 196 T HN 0.299 nan 8.240 nan 0.000 0.435 197 R N 0.952 121.413 120.500 -0.065 0.000 2.091 197 R HA 0.098 4.438 4.340 0.000 0.000 0.238 197 R C 2.201 178.523 176.300 0.037 0.000 1.136 197 R CA 1.272 57.361 56.100 -0.017 0.000 0.959 197 R CB -0.888 29.381 30.300 -0.051 0.000 0.856 197 R HN 0.474 nan 8.270 nan 0.000 0.437 198 I N 0.322 120.891 120.570 -0.001 0.000 2.439 198 I HA -0.138 4.032 4.170 0.000 0.000 0.251 198 I C 1.612 177.805 176.117 0.127 0.000 1.139 198 I CA 1.148 62.505 61.300 0.095 0.000 1.438 198 I CB 0.085 38.124 38.000 0.066 0.000 1.085 198 I HN 0.336 nan 8.210 nan 0.000 0.427 199 I N -2.766 117.821 120.570 0.029 0.000 3.728 199 I HA 0.167 4.337 4.170 0.000 0.000 0.307 199 I C 0.613 176.649 176.117 -0.136 0.000 1.276 199 I CA -0.112 61.154 61.300 -0.057 0.000 1.285 199 I CB -0.042 37.823 38.000 -0.225 0.000 1.038 199 I HN -0.090 nan 8.210 nan 0.000 0.445 200 S N 1.053 116.679 115.700 -0.123 0.000 2.586 200 S HA 0.341 4.811 4.470 0.000 0.000 0.274 200 S C 0.864 175.421 174.600 -0.070 0.000 1.281 200 S CA -0.401 57.724 58.200 -0.125 0.000 1.035 200 S CB 1.923 65.049 63.200 -0.123 0.000 0.962 200 S HN 0.263 nan 8.310 nan 0.000 0.512 201 T N 1.987 116.500 114.554 -0.069 0.000 3.065 201 T HA 0.052 4.402 4.350 0.000 0.000 0.234 201 T C 0.533 175.194 174.700 -0.065 0.000 1.017 201 T CA 0.579 62.635 62.100 -0.073 0.000 1.292 201 T CB -0.340 68.485 68.868 -0.070 0.000 1.005 201 T HN 0.606 nan 8.240 nan 0.000 0.423 202 T N 3.514 118.036 114.554 -0.053 0.000 2.871 202 T HA 0.112 4.462 4.350 0.000 0.000 0.296 202 T C 0.708 175.384 174.700 -0.040 0.000 0.998 202 T CA 0.396 62.471 62.100 -0.041 0.000 1.162 202 T CB -0.081 68.769 68.868 -0.030 0.000 0.947 202 T HN 0.519 nan 8.240 nan 0.000 0.536 203 N N 0.584 119.264 118.700 -0.034 0.000 2.800 203 N HA -0.146 4.594 4.740 0.000 0.000 0.250 203 N C 0.102 175.602 175.510 -0.016 0.000 1.078 203 N CA 1.479 54.515 53.050 -0.023 0.000 0.804 203 N CB -1.070 37.407 38.487 -0.016 0.000 1.135 203 N HN 0.980 nan 8.380 nan 0.000 0.565 204 G N -3.339 105.445 108.800 -0.027 0.000 2.921 204 G HA2 0.558 4.518 3.960 0.000 0.000 0.291 204 G HA3 0.558 4.518 3.960 0.000 0.000 0.291 204 G C 1.002 175.884 174.900 -0.030 0.000 1.370 204 G CA 0.011 45.116 45.100 0.008 0.000 0.847 204 G HN 0.312 nan 8.290 nan 0.000 0.532 205 G N -0.791 108.026 108.800 0.028 0.000 2.485 205 G HA2 -0.106 3.854 3.960 0.000 0.000 0.221 205 G HA3 -0.106 3.854 3.960 0.000 0.000 0.221 205 G C 1.189 176.032 174.900 -0.095 0.000 1.115 205 G CA 1.166 46.194 45.100 -0.120 0.000 0.751 205 G HN 0.438 nan 8.290 nan 0.000 0.567 206 Q N -0.429 119.316 119.800 -0.091 0.000 2.201 206 Q HA 0.281 4.621 4.340 0.000 0.000 0.217 206 Q C 1.659 177.573 176.000 -0.144 0.000 0.860 206 Q CA -0.085 55.594 55.803 -0.208 0.000 0.984 206 Q CB 0.690 29.187 28.738 -0.401 0.000 1.095 206 Q HN 0.651 nan 8.270 nan 0.000 0.477 207 E N 0.575 120.714 120.200 -0.102 0.000 2.110 207 E HA -0.084 4.266 4.350 0.000 0.000 0.193 207 E C -0.024 176.519 176.600 -0.096 0.000 0.988 207 E CA 0.773 57.119 56.400 -0.091 0.000 0.804 207 E CB 0.436 30.081 29.700 -0.091 0.000 0.745 207 E HN 0.174 nan 8.360 nan 0.000 0.458 208 R N -0.798 119.625 120.500 -0.128 0.000 2.836 208 R HA 0.472 4.812 4.340 0.000 0.000 0.269 208 R C -1.064 175.031 176.300 -0.342 0.000 1.010 208 R CA -0.753 55.192 56.100 -0.259 0.000 0.930 208 R CB 2.002 32.126 30.300 -0.295 0.000 1.218 208 R HN -0.178 nan 8.270 nan 0.000 0.473 209 K N 0.576 120.593 120.400 -0.639 0.000 2.444 209 K HA 0.444 4.764 4.320 0.000 0.000 0.252 209 K C -1.192 175.030 176.600 -0.630 0.000 0.993 209 K CA -0.682 55.201 56.287 -0.673 0.000 0.847 209 K CB 1.595 33.718 32.500 -0.628 0.000 1.340 209 K HN 0.250 nan 8.250 nan 0.000 0.446 210 F N 1.125 120.980 119.950 -0.159 0.000 2.410 210 F HA 0.162 4.689 4.527 0.000 0.000 0.348 210 F C 0.447 176.299 175.800 0.088 0.000 1.106 210 F CA -0.951 57.024 58.000 -0.043 0.000 1.163 210 F CB 0.951 39.911 39.000 -0.067 0.000 1.129 210 F HN 0.005 nan 8.300 nan 0.000 0.516 211 V N 3.878 124.011 119.914 0.365 0.000 2.493 211 V HA 0.198 4.318 4.120 0.000 0.000 0.292 211 V C 0.955 176.983 176.094 -0.110 0.000 1.016 211 V CA 1.333 63.781 62.300 0.246 0.000 1.097 211 V CB 0.078 32.008 31.823 0.179 0.000 0.947 211 V HN 1.117 nan 8.190 nan 0.000 0.479 212 G N 3.320 111.707 108.800 -0.688 0.000 2.195 212 G HA2 0.151 4.111 3.960 0.000 0.000 0.246 212 G HA3 0.151 4.111 3.960 0.000 0.000 0.246 212 G C 0.760 175.127 174.900 -0.888 0.000 0.984 212 G CA -0.106 44.253 45.100 -1.235 0.000 0.633 212 G HN 2.407 nan 8.290 nan 0.000 0.525 213 G N -1.451 107.135 108.800 -0.357 0.000 2.617 213 G HA2 0.393 4.353 3.960 0.000 0.000 0.686 213 G HA3 0.393 4.353 3.960 0.000 0.000 0.686 213 G C 0.806 175.723 174.900 0.029 0.000 1.214 213 G CA 0.854 45.934 45.100 -0.034 0.000 0.796 213 G HN 1.855 nan 8.290 nan 0.000 0.654 214 S N -0.042 115.728 115.700 0.118 0.000 2.453 214 S HA 0.105 4.575 4.470 0.000 0.000 0.231 214 S C 2.529 177.127 174.600 -0.004 0.000 1.005 214 S CA 1.748 60.022 58.200 0.123 0.000 0.949 214 S CB -0.110 63.209 63.200 0.199 0.000 0.774 214 S HN 2.165 nan 8.310 nan 0.000 0.510 215 G N 1.332 110.139 108.800 0.011 0.000 2.470 215 G HA2 -0.169 3.791 3.960 0.000 0.000 0.220 215 G HA3 -0.169 3.791 3.960 0.000 0.000 0.220 215 G C 1.439 176.317 174.900 -0.037 0.000 1.121 215 G CA 0.622 45.732 45.100 0.016 0.000 0.766 215 G HN 0.632 nan 8.290 nan 0.000 0.553 216 Q N -0.155 119.589 119.800 -0.092 0.000 2.181 216 Q HA -0.106 4.234 4.340 0.000 0.000 0.205 216 Q C 2.755 178.666 176.000 -0.149 0.000 0.980 216 Q CA 1.265 56.992 55.803 -0.127 0.000 0.862 216 Q CB -0.270 28.366 28.738 -0.171 0.000 0.905 216 Q HN 0.434 nan 8.270 nan 0.000 0.429 217 V N 0.250 120.048 119.914 -0.193 0.000 2.255 217 V HA -0.299 3.821 4.120 0.000 0.000 0.247 217 V C 2.182 178.214 176.094 -0.102 0.000 1.051 217 V CA 2.136 64.322 62.300 -0.189 0.000 1.018 217 V CB -0.627 31.068 31.823 -0.215 0.000 0.641 217 V HN 0.295 nan 8.190 nan 0.000 0.445 218 S N -0.765 114.898 115.700 -0.060 0.000 2.368 218 S HA -0.184 4.286 4.470 0.000 0.000 0.224 218 S C 1.937 176.517 174.600 -0.033 0.000 1.029 218 S CA 1.495 59.677 58.200 -0.030 0.000 0.988 218 S CB -0.245 62.958 63.200 0.006 0.000 0.838 218 S HN 0.703 nan 8.310 nan 0.000 0.462 219 E N 0.916 121.096 120.200 -0.033 0.000 2.077 219 E HA -0.094 4.256 4.350 0.000 0.000 0.193 219 E C 2.363 178.935 176.600 -0.047 0.000 0.989 219 E CA 0.824 57.205 56.400 -0.032 0.000 0.800 219 E CB -0.078 29.605 29.700 -0.028 0.000 0.746 219 E HN 0.339 nan 8.360 nan 0.000 0.452 220 R N 0.316 120.777 120.500 -0.064 0.000 2.092 220 R HA -0.059 4.281 4.340 0.000 0.000 0.231 220 R C 2.370 178.632 176.300 -0.063 0.000 1.119 220 R CA 0.987 57.047 56.100 -0.067 0.000 0.970 220 R CB -0.237 30.012 30.300 -0.085 0.000 0.864 220 R HN 0.216 nan 8.270 nan 0.000 0.440 221 I N 0.593 121.124 120.570 -0.065 0.000 2.315 221 I HA -0.277 3.893 4.170 0.000 0.000 0.248 221 I C 2.663 178.736 176.117 -0.074 0.000 1.117 221 I CA 1.056 62.317 61.300 -0.066 0.000 1.404 221 I CB -0.173 37.792 38.000 -0.058 0.000 1.071 221 I HN 0.208 nan 8.210 nan 0.000 0.419 222 M N 0.859 120.423 119.600 -0.060 0.000 2.108 222 M HA -0.266 4.214 4.480 0.000 0.000 0.261 222 M C 1.705 177.968 176.300 -0.063 0.000 1.066 222 M CA 1.988 57.252 55.300 -0.059 0.000 1.107 222 M CB -0.228 32.349 32.600 -0.039 0.000 1.356 222 M HN 0.164 nan 8.290 nan 0.000 0.406 223 D N 0.686 121.054 120.400 -0.054 0.000 2.116 223 D HA -0.192 4.448 4.640 0.000 0.000 0.193 223 D C 2.001 178.266 176.300 -0.058 0.000 0.998 223 D CA 1.576 55.547 54.000 -0.048 0.000 0.836 223 D CB -0.609 40.167 40.800 -0.041 0.000 0.951 223 D HN 0.430 nan 8.370 nan 0.000 0.449 224 L N 0.046 121.226 121.223 -0.072 0.000 2.131 224 L HA -0.106 4.234 4.340 0.000 0.000 0.210 224 L C 2.410 179.173 176.870 -0.179 0.000 1.092 224 L CA 0.632 55.420 54.840 -0.088 0.000 0.759 224 L CB -0.236 41.777 42.059 -0.077 0.000 0.903 224 L HN 0.030 nan 8.230 nan 0.000 0.435 225 L N -1.160 119.937 121.223 -0.209 0.000 2.446 225 L HA 0.149 4.489 4.340 0.000 0.000 0.219 225 L C 1.722 178.495 176.870 -0.162 0.000 1.116 225 L CA 0.368 55.030 54.840 -0.297 0.000 0.844 225 L CB -0.665 41.252 42.059 -0.236 0.000 0.970 225 L HN 0.435 nan 8.230 nan 0.000 0.457 226 G N 2.042 110.784 108.800 -0.098 0.000 2.651 226 G HA2 -0.449 3.511 3.960 0.000 0.000 0.315 226 G HA3 -0.449 3.511 3.960 0.000 0.000 0.315 226 G C 0.555 175.431 174.900 -0.040 0.000 1.258 226 G CA 0.585 45.654 45.100 -0.052 0.000 1.002 226 G HN 0.521 nan 8.290 nan 0.000 0.551 227 D N 0.943 121.331 120.400 -0.020 0.000 2.349 227 D HA 0.051 4.691 4.640 0.000 0.000 0.224 227 D C 2.052 178.351 176.300 -0.000 0.000 1.029 227 D CA 0.572 54.569 54.000 -0.005 0.000 0.879 227 D CB -0.313 40.493 40.800 0.010 0.000 0.906 227 D HN 0.626 nan 8.370 nan 0.000 0.528 228 R N -0.022 120.468 120.500 -0.018 0.000 2.237 228 R HA 0.067 4.407 4.340 0.000 0.000 0.219 228 R C 0.353 176.628 176.300 -0.040 0.000 1.080 228 R CA 0.312 56.402 56.100 -0.018 0.000 0.995 228 R CB 0.197 30.475 30.300 -0.038 0.000 0.875 228 R HN 0.082 nan 8.270 nan 0.000 0.462 229 V N 3.102 122.987 119.914 -0.048 0.000 2.408 229 V HA 0.103 4.223 4.120 0.000 0.000 0.267 229 V C -0.070 175.998 176.094 -0.044 0.000 1.047 229 V CA -0.329 61.938 62.300 -0.055 0.000 0.937 229 V CB 1.230 33.022 31.823 -0.053 0.000 0.999 229 V HN 0.053 nan 8.190 nan 0.000 0.472 230 K N 6.582 126.943 120.400 -0.065 0.000 2.334 230 K HA 0.541 4.861 4.320 0.000 0.000 0.265 230 K C -0.691 175.874 176.600 -0.059 0.000 1.039 230 K CA -0.357 55.901 56.287 -0.049 0.000 0.920 230 K CB 1.892 34.354 32.500 -0.063 0.000 1.160 230 K HN 0.491 nan 8.250 nan 0.000 0.451 231 L N 1.581 122.782 121.223 -0.038 0.000 2.439 231 L HA 0.157 4.497 4.340 0.000 0.000 0.261 231 L C 0.709 177.551 176.870 -0.047 0.000 1.153 231 L CA -0.224 54.589 54.840 -0.045 0.000 0.808 231 L CB 0.155 42.197 42.059 -0.028 0.000 1.126 231 L HN 0.687 nan 8.230 nan 0.000 0.460 232 E N 0.394 120.552 120.200 -0.071 0.000 2.360 232 E HA -0.241 4.109 4.350 0.000 0.000 0.238 232 E C -0.504 176.054 176.600 -0.071 0.000 1.186 232 E CA 0.310 56.664 56.400 -0.076 0.000 0.719 232 E CB -0.887 28.790 29.700 -0.038 0.000 1.236 232 E HN 0.358 nan 8.360 nan 0.000 0.386 233 R N 0.236 120.678 120.500 -0.097 0.000 2.860 233 R HA 0.245 4.585 4.340 0.000 0.000 0.282 233 R C -2.680 173.542 176.300 -0.129 0.000 1.408 233 R CA -1.989 54.060 56.100 -0.084 0.000 1.636 233 R CB 0.590 30.843 30.300 -0.078 0.000 1.187 233 R HN -0.002 nan 8.270 nan 0.000 0.611 234 P HA 0.021 nan 4.420 nan 0.000 0.271 234 P C -0.336 176.929 177.300 -0.057 0.000 1.226 234 P CA -0.201 62.798 63.100 -0.168 0.000 0.765 234 P CB 0.952 32.562 31.700 -0.150 0.000 0.835 235 V N 5.583 125.473 119.914 -0.039 0.000 2.555 235 V HA 0.058 4.178 4.120 0.000 0.000 0.286 235 V C 1.714 177.828 176.094 0.034 0.000 1.044 235 V CA 0.398 62.695 62.300 -0.005 0.000 1.026 235 V CB 0.317 32.126 31.823 -0.023 0.000 0.981 235 V HN 0.538 nan 8.190 nan 0.000 0.480 236 I N 1.755 122.357 120.570 0.052 0.000 4.288 236 I HA 0.449 4.619 4.170 0.000 0.000 0.331 236 I C -0.019 176.192 176.117 0.156 0.000 1.322 236 I CA 0.099 61.459 61.300 0.099 0.000 1.149 236 I CB 0.581 38.618 38.000 0.061 0.000 1.112 236 I HN 0.513 nan 8.210 nan 0.000 0.403 237 Y N 1.777 122.025 120.300 -0.088 0.000 2.376 237 Y HA 0.648 5.198 4.550 0.000 0.000 0.321 237 Y C -1.985 173.841 175.900 -0.123 0.000 1.189 237 Y CA -1.418 56.614 58.100 -0.113 0.000 1.069 237 Y CB 1.475 39.896 38.460 -0.064 0.000 1.292 237 Y HN 0.002 nan 8.280 nan 0.000 0.430 238 I N 5.874 126.019 120.570 -0.709 0.000 2.447 238 I HA 0.313 4.483 4.170 0.000 0.000 0.287 238 I C -1.351 174.387 176.117 -0.631 0.000 1.023 238 I CA -0.658 60.331 61.300 -0.517 0.000 1.083 238 I CB 1.790 39.636 38.000 -0.256 0.000 1.245 238 I HN 0.516 nan 8.210 nan 0.000 0.434 239 D N 6.028 126.128 120.400 -0.500 0.000 2.425 239 D HA 0.271 4.912 4.640 0.000 0.000 0.240 239 D C -0.193 176.042 176.300 -0.109 0.000 1.080 239 D CA -0.212 53.594 54.000 -0.322 0.000 0.836 239 D CB 1.547 42.199 40.800 -0.247 0.000 1.125 239 D HN 0.497 nan 8.370 nan 0.000 0.525 240 Q N 1.738 121.510 119.800 -0.046 0.000 2.172 240 Q HA 0.068 4.408 4.340 0.000 0.000 0.217 240 Q C 1.196 177.195 176.000 -0.000 0.000 0.832 240 Q CA 0.024 55.819 55.803 -0.013 0.000 1.010 240 Q CB 0.770 29.515 28.738 0.011 0.000 1.133 240 Q HN 0.578 nan 8.270 nan 0.000 0.489 241 T N -2.502 112.056 114.554 0.008 0.000 3.085 241 T HA 0.095 4.445 4.350 0.000 0.000 0.263 241 T C 0.955 175.663 174.700 0.013 0.000 1.127 241 T CA 0.277 62.388 62.100 0.019 0.000 1.103 241 T CB 0.285 69.173 68.868 0.034 0.000 0.921 241 T HN 0.066 nan 8.240 nan 0.000 0.510 242 R N 0.049 120.552 120.500 0.005 0.000 2.981 242 R HA 0.479 4.819 4.340 0.000 0.000 0.228 242 R C 1.462 177.754 176.300 -0.013 0.000 1.421 242 R CA -0.810 55.291 56.100 0.001 0.000 1.073 242 R CB 0.676 30.980 30.300 0.007 0.000 1.568 242 R HN 0.045 nan 8.270 nan 0.000 0.514 243 E N 0.611 120.801 120.200 -0.016 0.000 2.077 243 E HA -0.107 4.243 4.350 0.000 0.000 0.193 243 E C -0.316 176.254 176.600 -0.051 0.000 0.989 243 E CA 1.077 57.460 56.400 -0.028 0.000 0.800 243 E CB 0.208 29.895 29.700 -0.022 0.000 0.746 243 E HN 0.277 nan 8.360 nan 0.000 0.452 244 N N 0.188 118.861 118.700 -0.044 0.000 2.417 244 N HA 0.170 4.910 4.740 0.000 0.000 0.300 244 N C -0.806 174.677 175.510 -0.044 0.000 1.102 244 N CA -0.369 52.646 53.050 -0.058 0.000 0.886 244 N CB 2.126 40.591 38.487 -0.037 0.000 1.203 244 N HN -0.182 nan 8.380 nan 0.000 0.496 245 V N 1.988 121.868 119.914 -0.056 0.000 2.637 245 V HA 0.150 4.270 4.120 0.000 0.000 0.296 245 V C 0.528 176.617 176.094 -0.009 0.000 1.046 245 V CA -0.201 62.078 62.300 -0.034 0.000 1.066 245 V CB 0.204 32.009 31.823 -0.031 0.000 0.968 245 V HN 0.370 nan 8.190 nan 0.000 0.483 246 L N 5.235 126.450 121.223 -0.013 0.000 2.287 246 L HA 0.561 4.901 4.340 0.000 0.000 0.287 246 L C -0.646 176.226 176.870 0.003 0.000 1.022 246 L CA -0.540 54.311 54.840 0.018 0.000 0.814 246 L CB 1.788 43.870 42.059 0.039 0.000 1.217 246 L HN 0.378 nan 8.230 nan 0.000 0.420 247 V N 2.906 122.864 119.914 0.072 0.000 2.378 247 V HA 0.333 4.453 4.120 0.000 0.000 0.288 247 V C -0.161 176.036 176.094 0.172 0.000 1.016 247 V CA -0.615 61.729 62.300 0.073 0.000 0.840 247 V CB 1.714 33.570 31.823 0.055 0.000 0.994 247 V HN 0.729 nan 8.190 nan 0.000 0.431 248 E N 3.130 123.429 120.200 0.166 0.000 2.191 248 E HA 0.641 4.991 4.350 0.000 0.000 0.274 248 E C -0.202 176.477 176.600 0.133 0.000 0.948 248 E CA -0.467 56.047 56.400 0.190 0.000 0.802 248 E CB 1.776 31.619 29.700 0.238 0.000 1.137 248 E HN 0.825 nan 8.360 nan 0.000 0.397 249 T N 1.116 115.741 114.554 0.118 0.000 2.952 249 T HA 0.200 4.550 4.350 0.000 0.000 0.286 249 T C 0.905 175.578 174.700 -0.044 0.000 1.024 249 T CA -0.845 61.283 62.100 0.048 0.000 1.029 249 T CB 1.179 70.093 68.868 0.077 0.000 1.094 249 T HN 0.454 nan 8.240 nan 0.000 0.515 250 L N 1.701 122.875 121.223 -0.081 0.000 2.083 250 L HA 0.053 4.393 4.340 0.000 0.000 0.209 250 L C 1.796 178.434 176.870 -0.387 0.000 1.083 250 L CA 2.082 56.819 54.840 -0.171 0.000 0.752 250 L CB -1.076 40.934 42.059 -0.081 0.000 0.899 250 L HN 0.943 nan 8.230 nan 0.000 0.433 251 N N -2.665 115.891 118.700 -0.241 0.000 2.375 251 N HA -0.037 4.703 4.740 0.000 0.000 0.220 251 N C -0.034 175.422 175.510 -0.089 0.000 1.170 251 N CA 0.395 53.325 53.050 -0.200 0.000 0.833 251 N CB -0.371 38.106 38.487 -0.017 0.000 1.069 251 N HN 0.507 nan 8.380 nan 0.000 0.479 252 H N -2.957 116.129 119.070 0.027 0.000 3.636 252 H HA -0.152 4.404 4.556 0.000 0.000 0.179 252 H C -0.810 174.524 175.328 0.011 0.000 0.968 252 H CA 0.979 57.033 56.048 0.011 0.000 1.220 252 H CB -1.670 28.089 29.762 -0.004 0.000 1.023 252 H HN 0.553 nan 8.280 nan 0.000 0.366 253 E N 1.293 121.551 120.200 0.097 0.000 2.349 253 E HA 0.424 4.774 4.350 0.000 0.000 0.265 253 E C 0.208 176.822 176.600 0.024 0.000 1.064 253 E CA -0.457 55.962 56.400 0.032 0.000 0.886 253 E CB 0.873 30.613 29.700 0.066 0.000 1.036 253 E HN 0.053 nan 8.360 nan 0.000 0.413 254 M N 2.072 121.586 119.600 -0.142 0.000 2.393 254 M HA 0.363 4.843 4.480 0.000 0.000 0.316 254 M C -1.379 174.740 176.300 -0.302 0.000 1.087 254 M CA -0.645 54.610 55.300 -0.075 0.000 0.937 254 M CB 1.134 33.710 32.600 -0.039 0.000 1.668 254 M HN 0.495 nan 8.290 nan 0.000 0.438 255 Y N 0.278 120.591 120.300 0.021 0.000 2.409 255 Y HA 0.466 5.016 4.550 0.000 0.000 0.343 255 Y C 0.018 175.922 175.900 0.008 0.000 0.973 255 Y CA -0.705 57.402 58.100 0.012 0.000 1.064 255 Y CB 1.749 40.214 38.460 0.008 0.000 1.207 255 Y HN 0.571 nan 8.280 nan 0.000 0.452 256 E N 1.783 122.054 120.200 0.118 0.000 2.183 256 E HA 0.852 5.202 4.350 0.000 0.000 0.271 256 E C -1.381 175.258 176.600 0.065 0.000 0.919 256 E CA -0.729 55.710 56.400 0.065 0.000 0.781 256 E CB 1.366 31.081 29.700 0.025 0.000 1.140 256 E HN 0.771 nan 8.360 nan 0.000 0.402 257 A N 3.335 126.175 122.820 0.034 0.000 2.594 257 A HA 0.352 4.672 4.320 0.000 0.000 0.291 257 A C -0.099 177.456 177.584 -0.048 0.000 1.105 257 A CA -0.646 51.404 52.037 0.022 0.000 0.694 257 A CB 1.505 20.535 19.000 0.049 0.000 1.291 257 A HN 0.683 nan 8.150 nan 0.000 0.410 258 K N -0.725 119.628 120.400 -0.078 0.000 2.116 258 K HA 0.115 4.435 4.320 0.000 0.000 0.203 258 K C -0.693 175.538 176.600 -0.616 0.000 1.052 258 K CA 1.425 57.521 56.287 -0.318 0.000 0.952 258 K CB -0.040 32.301 32.500 -0.265 0.000 0.729 258 K HN 0.613 nan 8.250 nan 0.000 0.446 259 Y N -1.110 119.213 120.300 0.037 0.000 2.588 259 Y HA 0.386 4.936 4.550 0.000 0.000 0.343 259 Y C -0.686 175.239 175.900 0.042 0.000 1.065 259 Y CA -1.337 56.800 58.100 0.062 0.000 1.038 259 Y CB 1.819 40.312 38.460 0.056 0.000 1.297 259 Y HN -0.425 nan 8.280 nan 0.000 0.467 260 V N 3.144 123.197 119.914 0.231 0.000 2.588 260 V HA 0.464 4.584 4.120 0.000 0.000 0.304 260 V C -0.589 175.550 176.094 0.075 0.000 1.042 260 V CA -0.841 61.521 62.300 0.103 0.000 0.877 260 V CB 1.912 33.762 31.823 0.045 0.000 0.996 260 V HN 0.546 nan 8.190 nan 0.000 0.425 261 I N 3.032 123.620 120.570 0.030 0.000 2.321 261 I HA 0.313 4.483 4.170 0.000 0.000 0.291 261 I C 0.487 176.591 176.117 -0.022 0.000 0.998 261 I CA 0.003 61.299 61.300 -0.006 0.000 1.227 261 I CB 1.759 39.764 38.000 0.008 0.000 1.368 261 I HN 0.607 nan 8.210 nan 0.000 0.466 262 S N 5.628 121.283 115.700 -0.075 0.000 2.411 262 S HA 0.501 4.971 4.470 0.000 0.000 0.304 262 S C 0.450 175.132 174.600 0.137 0.000 1.098 262 S CA -0.531 57.700 58.200 0.052 0.000 1.068 262 S CB 0.333 63.609 63.200 0.126 0.000 1.032 262 S HN 0.708 nan 8.310 nan 0.000 0.511 263 A N 6.082 128.969 122.820 0.112 0.000 3.106 263 A HA 0.481 4.801 4.320 0.000 0.000 0.306 263 A C 0.281 177.940 177.584 0.125 0.000 1.192 263 A CA -0.707 51.401 52.037 0.119 0.000 0.994 263 A CB -0.569 18.477 19.000 0.077 0.000 1.107 263 A HN 0.911 nan 8.150 nan 0.000 0.585 264 I N -3.851 116.811 120.570 0.153 0.000 2.797 264 I HA 0.696 4.866 4.170 0.000 0.000 0.307 264 I C -2.945 173.261 176.117 0.148 0.000 1.033 264 I CA -3.086 58.301 61.300 0.145 0.000 1.071 264 I CB 1.688 39.776 38.000 0.147 0.000 1.255 264 I HN -0.132 nan 8.210 nan 0.000 0.445 265 P HA 0.128 nan 4.420 nan 0.000 0.265 265 P C -2.171 175.174 177.300 0.076 0.000 1.187 265 P CA -0.618 62.541 63.100 0.098 0.000 0.766 265 P CB -0.058 31.685 31.700 0.071 0.000 0.820 266 P HA -0.232 nan 4.420 nan 0.000 0.216 266 P C 1.638 178.914 177.300 -0.040 0.000 1.157 266 P CA 1.876 64.972 63.100 -0.007 0.000 0.880 266 P CB -0.314 31.347 31.700 -0.066 0.000 0.791 267 T N -1.181 113.323 114.554 -0.084 0.000 2.833 267 T HA -0.103 4.247 4.350 0.000 0.000 0.269 267 T C 1.569 176.255 174.700 -0.024 0.000 1.054 267 T CA 0.874 62.918 62.100 -0.093 0.000 1.135 267 T CB -0.854 67.926 68.868 -0.146 0.000 0.869 267 T HN -0.034 nan 8.240 nan 0.000 0.466 268 L N 0.418 121.655 121.223 0.023 0.000 2.362 268 L HA 0.076 4.416 4.340 0.000 0.000 0.219 268 L C 2.894 179.832 176.870 0.114 0.000 1.134 268 L CA 0.796 55.677 54.840 0.069 0.000 0.807 268 L CB -0.921 41.203 42.059 0.110 0.000 0.927 268 L HN 0.357 nan 8.230 nan 0.000 0.447 269 G N 0.203 109.084 108.800 0.136 0.000 2.507 269 G HA2 -0.308 3.652 3.960 0.000 0.000 0.221 269 G HA3 -0.308 3.652 3.960 0.000 0.000 0.221 269 G C 1.595 176.639 174.900 0.240 0.000 1.119 269 G CA 0.555 45.794 45.100 0.231 0.000 0.751 269 G HN 0.168 nan 8.290 nan 0.000 0.574 270 M N 0.395 120.060 119.600 0.108 0.000 2.267 270 M HA -0.030 4.450 4.480 0.000 0.000 0.263 270 M C 2.146 178.456 176.300 0.018 0.000 1.063 270 M CA 1.079 56.410 55.300 0.051 0.000 1.090 270 M CB -0.567 32.023 32.600 -0.017 0.000 1.392 270 M HN 0.268 nan 8.290 nan 0.000 0.422 271 K N -0.025 120.405 120.400 0.050 0.000 2.525 271 K HA 0.149 4.469 4.320 0.000 0.000 0.192 271 K C 0.383 177.020 176.600 0.061 0.000 1.029 271 K CA 0.408 56.728 56.287 0.055 0.000 1.029 271 K CB 0.130 32.693 32.500 0.105 0.000 0.814 271 K HN 0.330 nan 8.250 nan 0.000 0.503 272 I N 1.281 121.850 120.570 -0.003 0.000 2.404 272 I HA 0.130 4.300 4.170 0.000 0.000 0.293 272 I C 0.127 176.074 176.117 -0.283 0.000 0.992 272 I CA -0.759 60.444 61.300 -0.162 0.000 1.149 272 I CB 1.314 39.078 38.000 -0.394 0.000 1.315 272 I HN 0.046 nan 8.210 nan 0.000 0.446 273 H N 6.086 125.039 119.070 -0.195 0.000 2.562 273 H HA 0.327 4.883 4.556 0.000 0.000 0.314 273 H C -1.079 174.126 175.328 -0.206 0.000 1.079 273 H CA -0.207 55.823 56.048 -0.030 0.000 1.349 273 H CB 1.074 30.924 29.762 0.147 0.000 1.432 273 H HN 0.316 nan 8.280 nan 0.000 0.479 274 F N 1.979 122.018 119.950 0.148 0.000 2.443 274 F HA 0.166 4.693 4.527 0.000 0.000 0.335 274 F C 0.670 176.501 175.800 0.051 0.000 1.104 274 F CA -0.708 57.312 58.000 0.033 0.000 1.013 274 F CB 1.205 40.217 39.000 0.020 0.000 1.136 274 F HN 0.468 nan 8.300 nan 0.000 0.470 275 N N 4.326 123.091 118.700 0.108 0.000 2.461 275 N HA 0.417 5.157 4.740 0.000 0.000 0.284 275 N C -3.045 172.505 175.510 0.067 0.000 1.049 275 N CA -2.399 50.715 53.050 0.107 0.000 0.889 275 N CB 2.098 40.662 38.487 0.129 0.000 1.365 275 N HN 0.074 nan 8.380 nan 0.000 0.499 276 P HA 0.307 nan 4.420 nan 0.000 0.273 276 P C -2.638 174.734 177.300 0.121 0.000 1.250 276 P CA -0.991 62.164 63.100 0.091 0.000 0.793 276 P CB -0.343 31.392 31.700 0.058 0.000 1.011 277 P HA 0.069 nan 4.420 nan 0.000 0.268 277 P C 0.097 177.412 177.300 0.026 0.000 1.208 277 P CA 0.215 63.379 63.100 0.107 0.000 0.777 277 P CB 0.175 31.919 31.700 0.074 0.000 0.875 278 L N 3.216 124.402 121.223 -0.062 0.000 2.499 278 L HA 0.085 4.425 4.340 0.000 0.000 0.281 278 L C -1.657 175.156 176.870 -0.094 0.000 1.234 278 L CA -1.414 53.316 54.840 -0.184 0.000 0.839 278 L CB -0.791 41.065 42.059 -0.339 0.000 1.104 278 L HN 0.311 nan 8.230 nan 0.000 0.500 279 P HA -0.032 nan 4.420 nan 0.000 0.270 279 P C 0.675 177.942 177.300 -0.056 0.000 1.223 279 P CA -0.332 62.734 63.100 -0.057 0.000 0.785 279 P CB 0.465 32.131 31.700 -0.056 0.000 0.923 280 M N 1.539 121.120 119.600 -0.032 0.000 2.089 280 M HA -0.239 4.241 4.480 0.000 0.000 0.257 280 M C 1.229 177.536 176.300 0.012 0.000 1.071 280 M CA 2.363 57.655 55.300 -0.014 0.000 1.096 280 M CB -0.429 32.167 32.600 -0.006 0.000 1.330 280 M HN 0.170 nan 8.290 nan 0.000 0.403 281 M N -0.225 119.378 119.600 0.006 0.000 2.086 281 M HA -0.173 4.307 4.480 0.000 0.000 0.261 281 M C 2.337 178.679 176.300 0.069 0.000 1.067 281 M CA 1.864 57.207 55.300 0.072 0.000 1.116 281 M CB -1.494 31.090 32.600 -0.027 0.000 1.348 281 M HN 0.448 nan 8.290 nan 0.000 0.407 282 R N 0.227 120.693 120.500 -0.057 0.000 2.075 282 R HA -0.168 4.172 4.340 0.000 0.000 0.232 282 R C 2.049 178.253 176.300 -0.160 0.000 1.126 282 R CA 1.740 57.752 56.100 -0.146 0.000 0.963 282 R CB -0.232 29.929 30.300 -0.231 0.000 0.858 282 R HN 0.329 nan 8.270 nan 0.000 0.435 283 N N 0.560 119.184 118.700 -0.127 0.000 2.061 283 N HA -0.229 4.511 4.740 0.000 0.000 0.193 283 N C 1.644 177.082 175.510 -0.121 0.000 1.030 283 N CA 1.979 54.962 53.050 -0.112 0.000 0.856 283 N CB -0.028 38.419 38.487 -0.066 0.000 1.023 283 N HN 0.338 nan 8.380 nan 0.000 0.424 284 Q N -0.937 118.799 119.800 -0.107 0.000 2.137 284 Q HA -0.088 4.252 4.340 0.000 0.000 0.198 284 Q C 2.043 177.773 176.000 -0.451 0.000 0.960 284 Q CA 0.797 56.478 55.803 -0.205 0.000 0.847 284 Q CB -0.175 28.508 28.738 -0.091 0.000 0.915 284 Q HN 0.490 nan 8.270 nan 0.000 0.448 285 M N 1.691 121.005 119.600 -0.477 0.000 2.089 285 M HA -0.199 4.281 4.480 0.000 0.000 0.257 285 M C 2.116 178.173 176.300 -0.405 0.000 1.071 285 M CA 1.722 56.696 55.300 -0.544 0.000 1.096 285 M CB -0.547 31.915 32.600 -0.230 0.000 1.330 285 M HN 0.337 nan 8.290 nan 0.000 0.403 286 I N -1.595 118.801 120.570 -0.289 0.000 2.916 286 I HA -0.132 4.038 4.170 0.000 0.000 0.267 286 I C 1.638 177.619 176.117 -0.227 0.000 1.263 286 I CA 1.621 62.782 61.300 -0.231 0.000 1.471 286 I CB -1.064 36.845 38.000 -0.152 0.000 1.089 286 I HN 0.356 nan 8.210 nan 0.000 0.468 287 T N -2.385 112.016 114.554 -0.254 0.000 3.086 287 T HA 0.275 4.625 4.350 0.000 0.000 0.250 287 T C 1.493 176.027 174.700 -0.277 0.000 1.074 287 T CA -0.201 61.763 62.100 -0.226 0.000 0.988 287 T CB -0.049 68.711 68.868 -0.180 0.000 0.988 287 T HN 0.420 nan 8.240 nan 0.000 0.530 288 R N 0.871 121.149 120.500 -0.370 0.000 2.508 288 R HA 0.321 4.661 4.340 0.000 0.000 0.300 288 R C -0.144 175.848 176.300 -0.514 0.000 0.970 288 R CA -0.001 55.854 56.100 -0.408 0.000 1.102 288 R CB 1.397 31.407 30.300 -0.483 0.000 1.246 288 R HN 0.432 nan 8.270 nan 0.000 0.539 289 V N -0.663 118.924 119.914 -0.545 0.000 2.383 289 V HA 0.488 4.608 4.120 0.000 0.000 0.264 289 V C -2.708 173.017 176.094 -0.616 0.000 1.001 289 V CA -2.351 59.508 62.300 -0.734 0.000 0.828 289 V CB 0.746 32.083 31.823 -0.809 0.000 1.069 289 V HN -0.114 nan 8.190 nan 0.000 0.451 290 P HA 0.542 nan 4.420 nan 0.000 0.276 290 P C -0.677 176.261 177.300 -0.603 0.000 1.261 290 P CA -0.416 62.332 63.100 -0.586 0.000 0.800 290 P CB 1.716 33.059 31.700 -0.595 0.000 1.066 291 L N -0.031 121.021 121.223 -0.285 0.000 2.352 291 L HA 0.592 4.932 4.340 0.000 0.000 0.269 291 L C 1.421 178.317 176.870 0.043 0.000 1.034 291 L CA -0.184 54.589 54.840 -0.112 0.000 0.806 291 L CB 0.615 42.652 42.059 -0.036 0.000 1.244 291 L HN 0.477 nan 8.230 nan 0.000 0.447 292 G N -0.033 108.833 108.800 0.111 0.000 2.611 292 G HA2 0.425 4.385 3.960 0.000 0.000 0.273 292 G HA3 0.425 4.385 3.960 0.000 0.000 0.273 292 G C -0.810 174.091 174.900 0.002 0.000 1.305 292 G CA -0.368 44.778 45.100 0.076 0.000 1.010 292 G HN 0.506 nan 8.290 nan 0.000 0.509 293 S N -1.365 114.312 115.700 -0.039 0.000 2.605 293 S HA 0.582 5.052 4.470 0.000 0.000 0.308 293 S C -1.023 173.564 174.600 -0.022 0.000 1.113 293 S CA -0.522 57.680 58.200 0.003 0.000 1.049 293 S CB 1.676 64.891 63.200 0.024 0.000 1.001 293 S HN 0.836 nan 8.310 nan 0.000 0.480 294 V N 4.751 124.700 119.914 0.059 0.000 2.969 294 V HA 0.580 4.700 4.120 0.000 0.000 0.304 294 V C -1.940 174.309 176.094 0.258 0.000 1.192 294 V CA -0.780 61.589 62.300 0.115 0.000 0.962 294 V CB 1.764 33.597 31.823 0.018 0.000 1.045 294 V HN 0.886 nan 8.190 nan 0.000 0.428 295 I N 5.409 126.142 120.570 0.271 0.000 2.362 295 I HA 0.516 4.686 4.170 0.000 0.000 0.289 295 I C -0.218 176.132 176.117 0.388 0.000 0.994 295 I CA -0.594 60.883 61.300 0.295 0.000 1.158 295 I CB 1.685 39.801 38.000 0.193 0.000 1.315 295 I HN 0.534 nan 8.210 nan 0.000 0.451 296 K N 6.061 126.721 120.400 0.434 0.000 2.234 296 K HA 0.577 4.897 4.320 0.000 0.000 0.277 296 K C -1.427 175.284 176.600 0.184 0.000 1.038 296 K CA -0.292 56.226 56.287 0.384 0.000 0.888 296 K CB 0.928 33.722 32.500 0.489 0.000 1.091 296 K HN 0.696 nan 8.250 nan 0.000 0.467 297 C N 5.248 124.613 119.300 0.109 0.000 2.441 297 C HA 0.590 5.050 4.460 0.000 0.000 0.318 297 C C -0.845 174.171 174.990 0.043 0.000 1.222 297 C CA -1.029 58.039 59.018 0.083 0.000 1.474 297 C CB 0.126 28.026 27.740 0.266 0.000 2.125 297 C HN 0.756 nan 8.230 nan 0.000 0.479 298 I N 2.955 123.502 120.570 -0.039 0.000 2.468 298 I HA 0.427 4.597 4.170 0.000 0.000 0.285 298 I C -0.387 175.737 176.117 0.012 0.000 1.039 298 I CA -0.111 61.140 61.300 -0.081 0.000 1.074 298 I CB 1.530 39.437 38.000 -0.156 0.000 1.228 298 I HN 0.344 nan 8.210 nan 0.000 0.436 299 V N 6.690 126.613 119.914 0.014 0.000 2.398 299 V HA 0.413 4.533 4.120 0.000 0.000 0.286 299 V C -0.658 175.282 176.094 -0.257 0.000 1.026 299 V CA -0.694 61.643 62.300 0.062 0.000 0.868 299 V CB 1.023 32.907 31.823 0.101 0.000 0.982 299 V HN 0.401 nan 8.190 nan 0.000 0.443 300 Y N 3.992 124.241 120.300 -0.085 0.000 2.387 300 Y HA 0.689 5.239 4.550 0.000 0.000 0.330 300 Y C -0.267 175.510 175.900 -0.204 0.000 1.133 300 Y CA -0.584 57.511 58.100 -0.008 0.000 1.152 300 Y CB 1.327 39.885 38.460 0.162 0.000 1.215 300 Y HN 0.525 nan 8.280 nan 0.000 0.466 301 Y N -0.412 120.149 120.300 0.434 0.000 2.609 301 Y HA 0.288 4.839 4.550 0.000 0.000 0.342 301 Y C 1.083 177.138 175.900 0.258 0.000 1.058 301 Y CA -1.382 56.942 58.100 0.373 0.000 1.055 301 Y CB 1.955 40.734 38.460 0.532 0.000 1.292 301 Y HN 0.496 nan 8.280 nan 0.000 0.476 302 K N 0.378 121.001 120.400 0.372 0.000 2.097 302 K HA -0.051 4.269 4.320 0.000 0.000 0.206 302 K C -0.552 176.125 176.600 0.128 0.000 1.049 302 K CA 1.655 58.053 56.287 0.186 0.000 0.933 302 K CB 0.228 32.809 32.500 0.136 0.000 0.717 302 K HN 0.737 nan 8.250 nan 0.000 0.442 303 E N -1.009 119.282 120.200 0.152 0.000 2.429 303 E HA 0.210 4.560 4.350 0.000 0.000 0.276 303 E C -2.711 173.754 176.600 -0.225 0.000 0.953 303 E CA -2.237 54.156 56.400 -0.012 0.000 0.787 303 E CB 2.236 31.914 29.700 -0.037 0.000 1.307 303 E HN -0.081 nan 8.360 nan 0.000 0.458 304 P HA 0.052 nan 4.420 nan 0.000 0.237 304 P C 0.134 176.473 177.300 -1.601 0.000 1.788 304 P CA -0.067 62.067 63.100 -1.611 0.000 1.061 304 P CB -0.836 30.239 31.700 -1.041 0.000 1.967 305 F N 0.208 119.580 119.950 -0.963 0.000 2.269 305 F HA -0.113 4.414 4.527 0.000 0.000 0.301 305 F C 1.815 177.451 175.800 -0.273 0.000 1.082 305 F CA -0.038 57.703 58.000 -0.431 0.000 1.360 305 F CB -1.739 37.140 39.000 -0.202 0.000 1.041 305 F HN 0.138 nan 8.300 nan 0.000 0.512 306 W N 1.637 122.596 121.300 -0.568 0.000 2.342 306 W HA -0.058 4.602 4.660 0.000 0.000 0.297 306 W C 2.070 178.536 176.519 -0.088 0.000 1.213 306 W CA 1.189 58.407 57.345 -0.213 0.000 1.251 306 W CB -1.199 28.074 29.460 -0.312 0.000 1.136 306 W HN -0.128 nan 8.180 nan 0.000 0.526 307 R N 1.272 121.554 120.500 -0.363 0.000 2.127 307 R HA -0.110 4.230 4.340 0.000 0.000 0.238 307 R C 2.053 178.264 176.300 -0.147 0.000 1.134 307 R CA 1.888 57.876 56.100 -0.187 0.000 0.975 307 R CB -0.561 29.575 30.300 -0.273 0.000 0.865 307 R HN 0.329 nan 8.270 nan 0.000 0.447 308 K N 0.896 121.200 120.400 -0.159 0.000 2.147 308 K HA -0.138 4.182 4.320 0.000 0.000 0.205 308 K C 1.424 177.955 176.600 -0.115 0.000 1.049 308 K CA 1.203 57.426 56.287 -0.106 0.000 0.936 308 K CB -0.022 32.437 32.500 -0.068 0.000 0.722 308 K HN 0.120 nan 8.250 nan 0.000 0.446 309 K N 0.845 121.152 120.400 -0.155 0.000 2.437 309 K HA -0.025 4.295 4.320 0.000 0.000 0.198 309 K C -0.501 175.776 176.600 -0.537 0.000 1.024 309 K CA 0.091 56.184 56.287 -0.322 0.000 1.148 309 K CB 0.321 32.600 32.500 -0.368 0.000 0.860 309 K HN 0.021 nan 8.250 nan 0.000 0.515 310 D N 0.060 120.279 120.400 -0.300 0.000 2.775 310 D HA -0.216 4.424 4.640 0.000 0.000 0.235 310 D C -1.455 174.753 176.300 -0.153 0.000 1.120 310 D CA 0.803 54.683 54.000 -0.199 0.000 0.708 310 D CB -1.389 39.314 40.800 -0.161 0.000 1.084 310 D HN 0.349 nan 8.370 nan 0.000 0.434 311 Y N -0.695 119.637 120.300 0.054 0.000 2.352 311 Y HA 0.312 4.862 4.550 0.000 0.000 0.339 311 Y C 2.068 178.034 175.900 0.110 0.000 0.992 311 Y CA -0.938 57.195 58.100 0.056 0.000 1.100 311 Y CB 1.271 39.776 38.460 0.076 0.000 1.192 311 Y HN 0.264 nan 8.280 nan 0.000 0.458 312 C N -0.842 118.575 119.300 0.195 0.000 2.481 312 C HA 0.396 4.856 4.460 0.000 0.000 0.275 312 C C 1.741 176.805 174.990 0.123 0.000 1.419 312 C CA 0.557 59.664 59.018 0.149 0.000 1.773 312 C CB -1.047 26.711 27.740 0.030 0.000 1.862 312 C HN 1.232 nan 8.230 nan 0.000 0.530 313 G N -0.295 108.444 108.800 -0.101 0.000 2.231 313 G HA2 -0.140 3.820 3.960 0.000 0.000 0.206 313 G HA3 -0.140 3.820 3.960 0.000 0.000 0.206 313 G C 0.038 174.635 174.900 -0.505 0.000 0.996 313 G CA 0.163 44.910 45.100 -0.588 0.000 0.645 313 G HN 0.569 nan 8.290 nan 0.000 0.498 314 T N 2.274 116.624 114.554 -0.339 0.000 2.779 314 T HA 0.624 4.974 4.350 0.000 0.000 0.296 314 T C 0.260 174.779 174.700 -0.301 0.000 0.938 314 T CA 0.616 62.498 62.100 -0.364 0.000 1.119 314 T CB 0.841 69.555 68.868 -0.258 0.000 0.891 314 T HN 0.309 nan 8.240 nan 0.000 0.526 315 M N 3.960 123.365 119.600 -0.325 0.000 2.326 315 M HA 0.481 4.961 4.480 0.000 0.000 0.292 315 M C -1.019 175.302 176.300 0.034 0.000 1.081 315 M CA -0.573 54.650 55.300 -0.129 0.000 0.919 315 M CB 2.260 34.749 32.600 -0.184 0.000 1.634 315 M HN 0.415 nan 8.290 nan 0.000 0.451 316 I N 4.719 125.457 120.570 0.280 0.000 2.354 316 I HA 0.445 4.615 4.170 0.000 0.000 0.286 316 I C -0.857 175.539 176.117 0.464 0.000 1.007 316 I CA -0.216 61.356 61.300 0.454 0.000 1.167 316 I CB 0.874 39.166 38.000 0.487 0.000 1.320 316 I HN 0.592 nan 8.210 nan 0.000 0.458 317 I N 5.162 125.956 120.570 0.373 0.000 2.420 317 I HA 0.292 4.462 4.170 0.000 0.000 0.282 317 I C -0.647 175.651 176.117 0.301 0.000 1.019 317 I CA -0.509 60.983 61.300 0.320 0.000 1.130 317 I CB 1.315 39.434 38.000 0.198 0.000 1.262 317 I HN 0.427 nan 8.210 nan 0.000 0.454 318 D N 5.233 125.815 120.400 0.303 0.000 2.198 318 D HA 0.710 5.350 4.640 0.000 0.000 0.245 318 D C -0.078 176.339 176.300 0.196 0.000 1.079 318 D CA 0.210 54.353 54.000 0.238 0.000 0.854 318 D CB 1.788 42.727 40.800 0.231 0.000 1.148 318 D HN 0.805 nan 8.370 nan 0.000 0.456 319 G N 3.029 111.926 108.800 0.163 0.000 2.277 319 G HA2 0.009 3.969 3.960 0.000 0.000 0.272 319 G HA3 0.009 3.969 3.960 0.000 0.000 0.272 319 G C 0.376 175.351 174.900 0.124 0.000 1.692 319 G CA -0.303 44.878 45.100 0.134 0.000 0.926 319 G HN 0.341 nan 8.290 nan 0.000 0.720 320 E N 0.684 120.951 120.200 0.112 0.000 2.118 320 E HA -0.121 4.229 4.350 0.000 0.000 0.195 320 E C 2.076 178.736 176.600 0.100 0.000 0.992 320 E CA 2.498 58.972 56.400 0.123 0.000 0.804 320 E CB 0.116 29.885 29.700 0.114 0.000 0.741 320 E HN 0.636 nan 8.360 nan 0.000 0.458 321 E N 0.388 120.638 120.200 0.084 0.000 2.268 321 E HA 0.062 4.412 4.350 0.000 0.000 0.195 321 E C 0.408 177.040 176.600 0.053 0.000 0.995 321 E CA 0.875 57.313 56.400 0.063 0.000 0.836 321 E CB -0.454 29.282 29.700 0.059 0.000 0.763 321 E HN 0.295 nan 8.360 nan 0.000 0.491 322 A N 2.841 125.703 122.820 0.071 0.000 2.444 322 A HA 0.175 4.495 4.320 0.000 0.000 0.273 322 A C -1.339 176.272 177.584 0.045 0.000 1.136 322 A CA -1.137 50.935 52.037 0.059 0.000 0.799 322 A CB 0.167 19.227 19.000 0.100 0.000 1.081 322 A HN -0.003 nan 8.150 nan 0.000 0.509 323 P HA -0.054 nan 4.420 nan 0.000 0.218 323 P C 0.274 177.606 177.300 0.053 0.000 1.149 323 P CA 0.984 64.091 63.100 0.011 0.000 0.817 323 P CB 0.098 31.786 31.700 -0.020 0.000 0.785 324 V N 0.141 120.105 119.914 0.084 0.000 2.417 324 V HA 0.471 4.591 4.120 0.000 0.000 0.291 324 V C 1.177 177.389 176.094 0.197 0.000 1.024 324 V CA -0.087 62.312 62.300 0.164 0.000 0.861 324 V CB 1.330 33.276 31.823 0.205 0.000 0.985 324 V HN -0.022 nan 8.190 nan 0.000 0.436 325 A N 4.460 127.429 122.820 0.247 0.000 2.169 325 A HA 0.324 4.644 4.320 0.000 0.000 0.210 325 A C 0.147 177.966 177.584 0.392 0.000 1.168 325 A CA 0.545 52.751 52.037 0.280 0.000 0.813 325 A CB 0.203 19.353 19.000 0.249 0.000 0.861 325 A HN 0.745 nan 8.150 nan 0.000 0.481 326 Y N -0.104 120.329 120.300 0.222 0.000 2.482 326 Y HA 0.473 5.023 4.550 0.000 0.000 0.334 326 Y C -0.432 175.532 175.900 0.107 0.000 1.091 326 Y CA -0.432 57.786 58.100 0.197 0.000 1.027 326 Y CB 1.574 40.206 38.460 0.286 0.000 1.306 326 Y HN 0.128 nan 8.280 nan 0.000 0.446 327 T N 3.963 118.185 114.554 -0.553 0.000 2.906 327 T HA 0.872 5.222 4.350 0.000 0.000 0.295 327 T C -1.557 172.685 174.700 -0.764 0.000 1.075 327 T CA -0.821 60.944 62.100 -0.558 0.000 1.005 327 T CB 1.807 70.359 68.868 -0.527 0.000 1.136 327 T HN 0.605 nan 8.240 nan 0.000 0.498 328 L N 1.095 122.002 121.223 -0.527 0.000 2.393 328 L HA 0.496 4.836 4.340 0.000 0.000 0.260 328 L C -0.621 176.053 176.870 -0.327 0.000 1.002 328 L CA -1.271 53.328 54.840 -0.401 0.000 0.818 328 L CB 2.182 44.077 42.059 -0.274 0.000 1.369 328 L HN 0.744 nan 8.230 nan 0.000 0.412 329 D N 1.036 121.282 120.400 -0.257 0.000 2.472 329 D HA -0.063 4.577 4.640 0.000 0.000 0.248 329 D C -0.185 176.126 176.300 0.018 0.000 1.174 329 D CA 0.635 54.563 54.000 -0.121 0.000 0.883 329 D CB 1.055 41.910 40.800 0.092 0.000 1.149 329 D HN 0.517 nan 8.370 nan 0.000 0.488 330 D N 1.998 122.409 120.400 0.018 0.000 2.462 330 D HA 0.070 4.710 4.640 0.000 0.000 0.221 330 D C -0.339 176.033 176.300 0.120 0.000 1.173 330 D CA -0.180 53.859 54.000 0.065 0.000 0.831 330 D CB 0.354 41.130 40.800 -0.040 0.000 1.001 330 D HN 0.228 nan 8.370 nan 0.000 0.499 331 T N 1.579 116.247 114.554 0.190 0.000 2.946 331 T HA 0.005 4.355 4.350 0.000 0.000 0.311 331 T C 0.566 175.334 174.700 0.114 0.000 1.063 331 T CA -0.095 62.116 62.100 0.185 0.000 1.139 331 T CB 0.779 69.766 68.868 0.199 0.000 0.994 331 T HN -0.055 nan 8.240 nan 0.000 0.547 332 K N 3.815 124.249 120.400 0.057 0.000 2.336 332 K HA 0.065 4.385 4.320 0.000 0.000 0.262 332 K C -1.389 175.105 176.600 -0.175 0.000 0.992 332 K CA -1.780 54.449 56.287 -0.096 0.000 0.927 332 K CB 0.156 32.629 32.500 -0.046 0.000 0.956 332 K HN 0.339 nan 8.250 nan 0.000 0.495 333 P HA -0.079 nan 4.420 nan 0.000 0.226 333 P C 0.193 177.420 177.300 -0.123 0.000 1.153 333 P CA 1.160 64.058 63.100 -0.337 0.000 0.777 333 P CB 0.341 31.704 31.700 -0.562 0.000 0.794 334 E N -0.792 119.358 120.200 -0.084 0.000 2.427 334 E HA 0.172 4.523 4.350 0.000 0.000 0.196 334 E C 1.570 178.166 176.600 -0.008 0.000 1.028 334 E CA 0.906 57.293 56.400 -0.023 0.000 0.864 334 E CB -0.759 28.948 29.700 0.011 0.000 0.813 334 E HN 0.286 nan 8.360 nan 0.000 0.514 335 G N 0.767 109.564 108.800 -0.005 0.000 2.176 335 G HA2 -0.282 3.678 3.960 0.000 0.000 0.232 335 G HA3 -0.282 3.678 3.960 0.000 0.000 0.232 335 G C 0.131 175.036 174.900 0.009 0.000 0.986 335 G CA 0.242 45.339 45.100 -0.005 0.000 0.643 335 G HN 0.364 nan 8.290 nan 0.000 0.522 336 N N -0.644 118.087 118.700 0.051 0.000 2.604 336 N HA 0.523 5.263 4.740 0.000 0.000 0.297 336 N C 0.537 176.172 175.510 0.207 0.000 1.266 336 N CA -0.811 52.265 53.050 0.043 0.000 0.961 336 N CB -0.031 38.417 38.487 -0.066 0.000 1.166 336 N HN 0.609 nan 8.380 nan 0.000 0.601 337 Y N -2.651 117.688 120.300 0.065 0.000 3.168 337 Y HA -0.173 4.377 4.550 0.000 0.000 0.207 337 Y C 0.610 176.648 175.900 0.231 0.000 1.280 337 Y CA 0.297 58.492 58.100 0.159 0.000 1.235 337 Y CB -2.368 36.157 38.460 0.107 0.000 1.370 337 Y HN 0.753 nan 8.280 nan 0.000 0.537 338 A N 0.293 123.279 122.820 0.278 0.000 2.591 338 A HA 0.474 4.794 4.320 0.000 0.000 0.244 338 A C 0.764 178.608 177.584 0.433 0.000 1.031 338 A CA 0.723 52.943 52.037 0.304 0.000 0.767 338 A CB -0.038 19.070 19.000 0.180 0.000 0.942 338 A HN 1.490 nan 8.150 nan 0.000 0.514 339 A N 2.822 125.885 122.820 0.405 0.000 2.604 339 A HA 0.654 4.974 4.320 0.000 0.000 0.295 339 A C -0.906 176.649 177.584 -0.048 0.000 1.067 339 A CA -0.545 51.526 52.037 0.058 0.000 0.683 339 A CB 1.051 19.772 19.000 -0.465 0.000 1.281 339 A HN 0.725 nan 8.150 nan 0.000 0.407 340 I N 2.619 123.061 120.570 -0.212 0.000 2.389 340 I HA 0.333 4.503 4.170 0.000 0.000 0.288 340 I C -0.176 175.781 176.117 -0.267 0.000 0.999 340 I CA -0.361 60.691 61.300 -0.414 0.000 1.129 340 I CB 1.585 39.188 38.000 -0.661 0.000 1.288 340 I HN 0.732 nan 8.210 nan 0.000 0.444 341 M N 5.700 125.140 119.600 -0.267 0.000 2.180 341 M HA 0.563 5.043 4.480 0.000 0.000 0.358 341 M C -0.231 175.905 176.300 -0.273 0.000 1.233 341 M CA -0.034 55.132 55.300 -0.223 0.000 1.114 341 M CB 1.016 33.506 32.600 -0.183 0.000 1.594 341 M HN 0.720 nan 8.290 nan 0.000 0.467 342 G N 4.529 113.216 108.800 -0.188 0.000 2.612 342 G HA2 0.684 4.644 3.960 0.000 0.000 0.298 342 G HA3 0.684 4.644 3.960 0.000 0.000 0.298 342 G C -1.933 172.890 174.900 -0.129 0.000 1.336 342 G CA -0.569 44.459 45.100 -0.120 0.000 0.953 342 G HN 0.657 nan 8.290 nan 0.000 0.482 343 F N 0.660 120.749 119.950 0.231 0.000 2.427 343 F HA 0.483 5.010 4.527 0.000 0.000 0.346 343 F C 0.541 176.449 175.800 0.180 0.000 1.120 343 F CA -0.714 57.425 58.000 0.232 0.000 1.033 343 F CB 2.073 41.241 39.000 0.280 0.000 1.126 343 F HN 0.051 nan 8.300 nan 0.000 0.462 344 I N 5.386 126.169 120.570 0.353 0.000 2.304 344 I HA 0.273 4.443 4.170 0.000 0.000 0.291 344 I C -0.644 175.566 176.117 0.154 0.000 1.018 344 I CA -0.293 61.129 61.300 0.203 0.000 1.260 344 I CB 0.786 38.873 38.000 0.144 0.000 1.390 344 I HN 0.402 nan 8.210 nan 0.000 0.475 345 L N 6.382 127.654 121.223 0.082 0.000 2.325 345 L HA 0.699 5.039 4.340 0.000 0.000 0.278 345 L C 0.962 177.800 176.870 -0.054 0.000 1.023 345 L CA -0.197 54.652 54.840 0.016 0.000 0.811 345 L CB 1.586 43.663 42.059 0.029 0.000 1.249 345 L HN 0.912 nan 8.230 nan 0.000 0.431 346 A N 2.110 124.894 122.820 -0.060 0.000 5.308 346 A HA -0.367 3.953 4.320 0.000 0.000 0.321 346 A C 1.698 179.276 177.584 -0.010 0.000 1.849 346 A CA 1.633 53.643 52.037 -0.045 0.000 0.713 346 A CB -1.601 17.372 19.000 -0.045 0.000 1.360 346 A HN 1.074 nan 8.150 nan 0.000 0.384 347 H N 0.793 119.856 119.070 -0.011 0.000 2.421 347 H HA -0.018 4.538 4.556 0.000 0.000 0.298 347 H C 1.710 177.056 175.328 0.030 0.000 1.087 347 H CA 1.829 57.887 56.048 0.017 0.000 1.330 347 H CB -0.442 29.339 29.762 0.031 0.000 1.388 347 H HN 0.737 nan 8.280 nan 0.000 0.526 348 K N 0.779 120.823 120.400 -0.594 0.000 2.148 348 K HA 0.036 4.356 4.320 0.000 0.000 0.204 348 K C 2.585 179.126 176.600 -0.099 0.000 1.050 348 K CA 0.980 57.061 56.287 -0.344 0.000 0.942 348 K CB -0.002 32.312 32.500 -0.310 0.000 0.724 348 K HN 0.339 nan 8.250 nan 0.000 0.446 349 A N 1.446 124.236 122.820 -0.050 0.000 1.902 349 A HA -0.183 4.137 4.320 0.000 0.000 0.217 349 A C 2.069 179.668 177.584 0.025 0.000 1.181 349 A CA 1.425 53.474 52.037 0.020 0.000 0.623 349 A CB -0.312 18.715 19.000 0.046 0.000 0.818 349 A HN 0.133 nan 8.150 nan 0.000 0.443 350 R N -0.242 120.272 120.500 0.024 0.000 2.073 350 R HA -0.075 4.265 4.340 0.000 0.000 0.234 350 R C 2.367 178.689 176.300 0.037 0.000 1.134 350 R CA 1.765 57.888 56.100 0.039 0.000 0.952 350 R CB -0.312 30.024 30.300 0.059 0.000 0.850 350 R HN 0.591 nan 8.270 nan 0.000 0.433 351 K N 0.671 121.092 120.400 0.036 0.000 2.026 351 K HA -0.116 4.204 4.320 0.000 0.000 0.208 351 K C 1.760 178.374 176.600 0.024 0.000 1.048 351 K CA 1.424 57.734 56.287 0.038 0.000 0.929 351 K CB -0.065 32.466 32.500 0.050 0.000 0.713 351 K HN 0.167 nan 8.250 nan 0.000 0.439 352 L N 0.352 121.584 121.223 0.014 0.000 2.395 352 L HA 0.016 4.356 4.340 0.000 0.000 0.218 352 L C 2.420 179.307 176.870 0.027 0.000 1.130 352 L CA 0.442 55.293 54.840 0.018 0.000 0.826 352 L CB -0.320 41.748 42.059 0.015 0.000 0.941 352 L HN 0.208 nan 8.230 nan 0.000 0.451 353 A N 0.630 123.468 122.820 0.030 0.000 2.024 353 A HA -0.222 4.098 4.320 0.000 0.000 0.220 353 A C 2.355 179.953 177.584 0.024 0.000 1.164 353 A CA 1.397 53.453 52.037 0.031 0.000 0.643 353 A CB -0.454 18.564 19.000 0.029 0.000 0.806 353 A HN 0.356 nan 8.150 nan 0.000 0.451 354 R N -0.777 119.736 120.500 0.021 0.000 2.200 354 R HA 0.015 4.355 4.340 0.000 0.000 0.234 354 R C 0.256 176.565 176.300 0.014 0.000 1.127 354 R CA 0.392 56.502 56.100 0.016 0.000 0.989 354 R CB -0.482 29.828 30.300 0.016 0.000 0.869 354 R HN 0.474 nan 8.270 nan 0.000 0.459 355 L N 0.318 121.550 121.223 0.016 0.000 2.475 355 L HA 0.119 4.459 4.340 0.000 0.000 0.253 355 L C 1.070 177.949 176.870 0.016 0.000 1.198 355 L CA -0.539 54.308 54.840 0.012 0.000 0.814 355 L CB 0.561 42.624 42.059 0.006 0.000 1.134 355 L HN 0.140 nan 8.230 nan 0.000 0.478 356 T N -2.803 111.758 114.554 0.012 0.000 2.816 356 T HA 0.110 4.460 4.350 0.000 0.000 0.282 356 T C 0.904 175.623 174.700 0.033 0.000 0.993 356 T CA -0.617 61.495 62.100 0.019 0.000 0.994 356 T CB 1.125 70.001 68.868 0.012 0.000 1.025 356 T HN 0.624 nan 8.240 nan 0.000 0.529 357 K N 0.148 120.583 120.400 0.058 0.000 2.063 357 K HA -0.185 4.135 4.320 0.000 0.000 0.208 357 K C 2.022 178.646 176.600 0.040 0.000 1.048 357 K CA 1.826 58.186 56.287 0.121 0.000 0.928 357 K CB -0.189 32.399 32.500 0.146 0.000 0.713 357 K HN 0.665 nan 8.250 nan 0.000 0.442 358 E N 0.648 120.849 120.200 0.002 0.000 2.106 358 E HA -0.148 4.202 4.350 0.000 0.000 0.192 358 E C 1.760 178.307 176.600 -0.088 0.000 0.984 358 E CA 1.311 57.681 56.400 -0.051 0.000 0.806 358 E CB 0.005 29.692 29.700 -0.022 0.000 0.750 358 E HN 0.391 nan 8.360 nan 0.000 0.458 359 E N 0.374 120.540 120.200 -0.056 0.000 2.077 359 E HA -0.138 4.212 4.350 0.000 0.000 0.193 359 E C 2.156 178.702 176.600 -0.090 0.000 0.989 359 E CA 0.795 57.159 56.400 -0.059 0.000 0.800 359 E CB -0.071 29.612 29.700 -0.030 0.000 0.746 359 E HN 0.129 nan 8.360 nan 0.000 0.452 360 R N 0.328 120.775 120.500 -0.088 0.000 2.075 360 R HA -0.127 4.213 4.340 0.000 0.000 0.232 360 R C 2.488 178.614 176.300 -0.289 0.000 1.126 360 R CA 0.812 56.844 56.100 -0.114 0.000 0.963 360 R CB -0.367 29.934 30.300 0.002 0.000 0.858 360 R HN 0.117 nan 8.270 nan 0.000 0.435 361 L N 1.838 122.758 121.223 -0.505 0.000 2.013 361 L HA -0.235 4.105 4.340 0.000 0.000 0.212 361 L C 2.200 178.847 176.870 -0.372 0.000 1.073 361 L CA 1.915 56.317 54.840 -0.729 0.000 0.753 361 L CB -0.460 41.144 42.059 -0.757 0.000 0.890 361 L HN 0.021 nan 8.230 nan 0.000 0.432 362 K N -0.440 119.816 120.400 -0.240 0.000 2.032 362 K HA -0.237 4.083 4.320 0.000 0.000 0.209 362 K C 2.217 178.726 176.600 -0.152 0.000 1.048 362 K CA 1.874 58.069 56.287 -0.153 0.000 0.927 362 K CB -0.101 32.338 32.500 -0.101 0.000 0.712 362 K HN 0.354 nan 8.250 nan 0.000 0.441 363 K N 0.240 120.547 120.400 -0.155 0.000 2.057 363 K HA -0.149 4.171 4.320 0.000 0.000 0.207 363 K C 2.125 178.588 176.600 -0.229 0.000 1.049 363 K CA 1.155 57.354 56.287 -0.146 0.000 0.931 363 K CB -0.102 32.333 32.500 -0.107 0.000 0.714 363 K HN 0.031 nan 8.250 nan 0.000 0.440 364 L N 0.784 121.816 121.223 -0.318 0.000 2.017 364 L HA -0.226 4.114 4.340 0.000 0.000 0.208 364 L C 2.419 178.857 176.870 -0.721 0.000 1.073 364 L CA 1.570 56.058 54.840 -0.587 0.000 0.745 364 L CB -0.773 40.982 42.059 -0.507 0.000 0.894 364 L HN 0.251 nan 8.230 nan 0.000 0.432 365 C N -0.780 118.317 119.300 -0.339 0.000 2.429 365 C HA -0.156 4.304 4.460 0.000 0.000 0.277 365 C C 2.633 177.589 174.990 -0.056 0.000 1.262 365 C CA 0.531 59.499 59.018 -0.083 0.000 1.733 365 C CB -0.836 26.918 27.740 0.024 0.000 2.010 365 C HN 0.551 nan 8.230 nan 0.000 0.483 366 E N 0.375 120.515 120.200 -0.100 0.000 2.077 366 E HA -0.216 4.134 4.350 0.000 0.000 0.193 366 E C 2.006 178.573 176.600 -0.055 0.000 0.989 366 E CA 0.962 57.329 56.400 -0.054 0.000 0.800 366 E CB -0.268 29.399 29.700 -0.055 0.000 0.746 366 E HN 0.503 nan 8.360 nan 0.000 0.452 367 L N 0.399 121.542 121.223 -0.133 0.000 1.994 367 L HA -0.212 4.128 4.340 0.000 0.000 0.208 367 L C 1.990 178.872 176.870 0.020 0.000 1.071 367 L CA 1.772 56.547 54.840 -0.110 0.000 0.745 367 L CB -0.651 41.300 42.059 -0.181 0.000 0.892 367 L HN 0.224 nan 8.230 nan 0.000 0.431 368 Y N -0.737 119.548 120.300 -0.024 0.000 2.181 368 Y HA -0.252 4.298 4.550 0.000 0.000 0.288 368 Y C 2.539 178.455 175.900 0.027 0.000 1.146 368 Y CA 0.340 58.434 58.100 -0.010 0.000 1.164 368 Y CB -0.543 37.953 38.460 0.061 0.000 0.982 368 Y HN 0.389 nan 8.280 nan 0.000 0.515 369 A N 0.630 123.570 122.820 0.200 0.000 1.883 369 A HA -0.268 4.052 4.320 0.000 0.000 0.217 369 A C 2.166 179.803 177.584 0.089 0.000 1.186 369 A CA 2.091 54.205 52.037 0.127 0.000 0.624 369 A CB -0.656 18.389 19.000 0.076 0.000 0.822 369 A HN 0.415 nan 8.150 nan 0.000 0.444 370 K N -0.437 119.995 120.400 0.054 0.000 2.025 370 K HA -0.086 4.234 4.320 0.000 0.000 0.207 370 K C 1.838 178.449 176.600 0.020 0.000 1.049 370 K CA 1.638 57.948 56.287 0.038 0.000 0.933 370 K CB -0.265 32.247 32.500 0.020 0.000 0.714 370 K HN 0.233 nan 8.250 nan 0.000 0.438 371 V N 1.565 121.436 119.914 -0.072 0.000 2.358 371 V HA -0.214 3.906 4.120 0.000 0.000 0.246 371 V C 2.132 178.191 176.094 -0.059 0.000 1.047 371 V CA 1.526 63.739 62.300 -0.146 0.000 1.035 371 V CB -0.308 31.365 31.823 -0.250 0.000 0.658 371 V HN 0.320 nan 8.190 nan 0.000 0.452 372 L N 0.402 121.626 121.223 0.001 0.000 2.558 372 L HA 0.292 4.632 4.340 0.000 0.000 0.225 372 L C 1.609 178.616 176.870 0.228 0.000 1.128 372 L CA 0.668 55.554 54.840 0.078 0.000 0.868 372 L CB -0.690 41.495 42.059 0.210 0.000 1.006 372 L HN 0.543 nan 8.230 nan 0.000 0.454 373 G N 0.851 109.742 108.800 0.151 0.000 2.366 373 G HA2 -0.263 3.697 3.960 0.000 0.000 0.299 373 G HA3 -0.263 3.697 3.960 0.000 0.000 0.299 373 G C -0.055 174.928 174.900 0.139 0.000 1.020 373 G CA 0.511 45.694 45.100 0.138 0.000 1.026 373 G HN 0.339 nan 8.290 nan 0.000 0.512 374 S N -0.728 115.048 115.700 0.128 0.000 2.733 374 S HA 0.434 4.904 4.470 0.000 0.000 0.294 374 S C 1.196 175.777 174.600 -0.031 0.000 1.149 374 S CA -0.744 57.498 58.200 0.070 0.000 1.034 374 S CB 1.594 64.907 63.200 0.189 0.000 1.015 374 S HN 0.271 nan 8.310 nan 0.000 0.486 375 L N 2.067 123.250 121.223 -0.066 0.000 2.265 375 L HA -0.111 4.229 4.340 0.000 0.000 0.215 375 L C 2.184 178.947 176.870 -0.177 0.000 1.117 375 L CA 1.216 56.007 54.840 -0.082 0.000 0.782 375 L CB -0.383 41.642 42.059 -0.056 0.000 0.914 375 L HN 0.675 nan 8.230 nan 0.000 0.441 376 E N 0.495 120.462 120.200 -0.387 0.000 2.209 376 E HA -0.218 4.132 4.350 0.000 0.000 0.196 376 E C 2.267 178.487 176.600 -0.634 0.000 0.993 376 E CA 1.019 57.026 56.400 -0.654 0.000 0.819 376 E CB -0.200 28.798 29.700 -1.170 0.000 0.745 376 E HN 0.537 nan 8.360 nan 0.000 0.477 377 A N 0.957 123.489 122.820 -0.480 0.000 2.125 377 A HA -0.103 4.217 4.320 0.000 0.000 0.219 377 A C 1.914 179.675 177.584 0.294 0.000 1.156 377 A CA 0.784 52.853 52.037 0.054 0.000 0.671 377 A CB -0.397 18.778 19.000 0.293 0.000 0.794 377 A HN 0.165 nan 8.150 nan 0.000 0.459 378 L N -1.190 120.106 121.223 0.122 0.000 2.612 378 L HA 0.137 4.477 4.340 0.000 0.000 0.230 378 L C 0.325 177.278 176.870 0.139 0.000 1.140 378 L CA 0.176 55.088 54.840 0.120 0.000 0.896 378 L CB -0.052 42.033 42.059 0.044 0.000 1.065 378 L HN 0.182 nan 8.230 nan 0.000 0.447 379 E N 1.019 121.352 120.200 0.221 0.000 3.312 379 E HA 0.184 4.534 4.350 0.000 0.000 0.215 379 E C -2.221 174.562 176.600 0.304 0.000 1.160 379 E CA -1.783 54.742 56.400 0.208 0.000 1.267 379 E CB 0.502 30.279 29.700 0.129 0.000 1.361 379 E HN 0.072 nan 8.360 nan 0.000 0.433 380 P HA -0.066 nan 4.420 nan 0.000 0.269 380 P C 0.804 178.148 177.300 0.072 0.000 1.209 380 P CA 0.081 63.160 63.100 -0.034 0.000 0.776 380 P CB 1.513 33.151 31.700 -0.103 0.000 0.876 381 V N -1.718 118.258 119.914 0.103 0.000 3.565 381 V HA 0.295 4.415 4.120 0.000 0.000 0.260 381 V C 0.484 176.706 176.094 0.214 0.000 1.231 381 V CA 0.848 63.237 62.300 0.149 0.000 1.100 381 V CB -1.087 30.826 31.823 0.150 0.000 0.807 381 V HN 0.647 nan 8.190 nan 0.000 0.454 382 H N -1.184 117.951 119.070 0.110 0.000 3.003 382 H HA 0.631 5.187 4.556 0.000 0.000 0.327 382 H C -2.293 173.234 175.328 0.332 0.000 1.353 382 H CA -0.815 55.308 56.048 0.125 0.000 1.142 382 H CB 1.960 31.675 29.762 -0.078 0.000 1.864 382 H HN 0.158 nan 8.280 nan 0.000 0.529 383 Y N 1.585 121.608 120.300 -0.462 0.000 2.441 383 Y HA 0.483 5.033 4.550 0.000 0.000 0.334 383 Y C -1.675 174.084 175.900 -0.236 0.000 1.061 383 Y CA -0.606 57.399 58.100 -0.157 0.000 1.032 383 Y CB 1.623 40.012 38.460 -0.118 0.000 1.266 383 Y HN 0.595 nan 8.280 nan 0.000 0.441 384 E N 4.565 124.506 120.200 -0.432 0.000 2.288 384 E HA 0.429 4.779 4.350 0.000 0.000 0.268 384 E C -1.373 174.833 176.600 -0.655 0.000 0.885 384 E CA -0.779 55.376 56.400 -0.409 0.000 0.767 384 E CB 2.735 32.429 29.700 -0.011 0.000 1.220 384 E HN 0.782 nan 8.360 nan 0.000 0.427 385 E N 0.365 120.302 120.200 -0.439 0.000 2.412 385 E HA 0.686 5.036 4.350 0.000 0.000 0.279 385 E C -1.232 175.316 176.600 -0.087 0.000 0.984 385 E CA -1.060 55.175 56.400 -0.274 0.000 0.788 385 E CB 2.217 31.740 29.700 -0.294 0.000 1.277 385 E HN 0.094 nan 8.360 nan 0.000 0.455 386 K N 1.369 121.769 120.400 -0.001 0.000 2.588 386 K HA 0.301 4.621 4.320 0.000 0.000 0.250 386 K C -1.869 174.704 176.600 -0.044 0.000 0.972 386 K CA -0.568 55.672 56.287 -0.078 0.000 0.821 386 K CB 1.529 33.955 32.500 -0.124 0.000 1.249 386 K HN 0.541 nan 8.250 nan 0.000 0.442 387 N N 4.112 122.750 118.700 -0.104 0.000 2.415 387 N HA 0.119 4.859 4.740 0.000 0.000 0.246 387 N C -0.143 175.306 175.510 -0.102 0.000 1.078 387 N CA -0.244 52.797 53.050 -0.016 0.000 0.942 387 N CB 0.222 38.710 38.487 0.001 0.000 1.140 387 N HN 0.679 nan 8.380 nan 0.000 0.501 388 W N 2.259 123.601 121.300 0.070 0.000 2.678 388 W HA 0.035 4.695 4.660 0.000 0.000 0.256 388 W C 2.053 178.590 176.519 0.030 0.000 1.280 388 W CA -0.050 57.330 57.345 0.058 0.000 1.345 388 W CB -0.147 29.363 29.460 0.085 0.000 1.118 388 W HN 0.586 nan 8.180 nan 0.000 0.629 389 C N 0.496 119.907 119.300 0.184 0.000 2.410 389 C HA -0.208 4.252 4.460 0.000 0.000 0.281 389 C C 2.391 177.407 174.990 0.044 0.000 1.318 389 C CA 1.617 60.694 59.018 0.098 0.000 1.776 389 C CB -1.487 26.294 27.740 0.070 0.000 1.942 389 C HN 0.505 nan 8.230 nan 0.000 0.508 390 E N 0.833 121.037 120.200 0.007 0.000 2.481 390 E HA -0.027 4.323 4.350 0.000 0.000 0.195 390 E C -0.008 176.563 176.600 -0.049 0.000 1.047 390 E CA 0.409 56.789 56.400 -0.033 0.000 0.867 390 E CB -0.230 29.436 29.700 -0.056 0.000 0.858 390 E HN 0.512 nan 8.360 nan 0.000 0.513 391 E N 2.257 122.445 120.200 -0.020 0.000 2.104 391 E HA -0.034 4.316 4.350 0.000 0.000 0.278 391 E C 0.520 177.107 176.600 -0.022 0.000 1.127 391 E CA 0.054 56.449 56.400 -0.008 0.000 0.897 391 E CB 1.378 31.132 29.700 0.091 0.000 1.043 391 E HN 0.373 nan 8.360 nan 0.000 0.410 392 Q N 2.890 122.620 119.800 -0.118 0.000 2.152 392 Q HA -0.210 4.130 4.340 0.000 0.000 0.206 392 Q C 0.354 176.124 176.000 -0.384 0.000 0.985 392 Q CA 1.660 57.279 55.803 -0.307 0.000 0.863 392 Q CB 0.083 28.524 28.738 -0.495 0.000 0.904 392 Q HN 0.601 nan 8.270 nan 0.000 0.422 393 Y N -1.119 119.207 120.300 0.043 0.000 2.524 393 Y HA 0.238 4.788 4.550 0.000 0.000 0.266 393 Y C 1.517 177.474 175.900 0.094 0.000 1.180 393 Y CA -0.294 57.840 58.100 0.056 0.000 1.244 393 Y CB 0.904 39.390 38.460 0.042 0.000 1.125 393 Y HN 0.061 nan 8.280 nan 0.000 0.524 394 S N -1.643 114.178 115.700 0.203 0.000 3.039 394 S HA 0.305 4.775 4.470 0.000 0.000 0.251 394 S C 1.799 176.475 174.600 0.127 0.000 1.064 394 S CA 0.580 58.906 58.200 0.210 0.000 0.822 394 S CB 0.528 63.944 63.200 0.359 0.000 0.802 394 S HN 0.506 nan 8.310 nan 0.000 0.519 395 G N 0.948 109.808 108.800 0.100 0.000 2.195 395 G HA2 0.092 4.052 3.960 0.000 0.000 0.246 395 G HA3 0.092 4.052 3.960 0.000 0.000 0.246 395 G C 0.467 175.406 174.900 0.065 0.000 0.984 395 G CA 0.072 45.198 45.100 0.043 0.000 0.633 395 G HN 1.349 nan 8.290 nan 0.000 0.525 396 G N -2.338 106.542 108.800 0.133 0.000 2.352 396 G HA2 0.532 4.492 3.960 0.000 0.000 0.283 396 G HA3 0.532 4.492 3.960 0.000 0.000 0.283 396 G C -1.033 173.940 174.900 0.122 0.000 1.308 396 G CA 0.343 45.525 45.100 0.137 0.000 0.892 396 G HN 1.465 nan 8.290 nan 0.000 0.504 397 C N -1.696 117.625 119.300 0.035 0.000 3.311 397 C HA 0.567 5.027 4.460 0.000 0.000 0.325 397 C C 0.857 175.680 174.990 -0.278 0.000 1.352 397 C CA -0.660 58.306 59.018 -0.087 0.000 1.308 397 C CB 0.683 28.301 27.740 -0.203 0.000 1.619 397 C HN 0.743 nan 8.230 nan 0.000 0.469 398 Y N 0.649 120.879 120.300 -0.116 0.000 2.293 398 Y HA 0.191 4.741 4.550 0.000 0.000 0.291 398 Y C 1.569 177.427 175.900 -0.070 0.000 1.137 398 Y CA 1.313 59.317 58.100 -0.160 0.000 1.202 398 Y CB -0.466 37.876 38.460 -0.197 0.000 0.990 398 Y HN 0.680 nan 8.280 nan 0.000 0.537 399 T N -1.953 112.666 114.554 0.108 0.000 2.711 399 T HA 0.322 4.672 4.350 0.000 0.000 0.302 399 T C -0.850 173.926 174.700 0.127 0.000 1.373 399 T CA -0.743 61.458 62.100 0.169 0.000 1.000 399 T CB 1.086 70.148 68.868 0.322 0.000 1.483 399 T HN -0.152 nan 8.240 nan 0.000 0.499 400 T N 2.817 117.456 114.554 0.143 0.000 2.814 400 T HA 0.448 4.798 4.350 0.000 0.000 0.297 400 T C -0.712 173.967 174.700 -0.035 0.000 0.956 400 T CA 0.082 62.165 62.100 -0.027 0.000 1.123 400 T CB -0.517 68.330 68.868 -0.034 0.000 0.902 400 T HN 0.452 nan 8.240 nan 0.000 0.528 401 Y N 1.146 121.209 120.300 -0.395 0.000 2.496 401 Y HA 0.790 5.340 4.550 0.000 0.000 0.331 401 Y C -1.120 174.193 175.900 -0.979 0.000 1.140 401 Y CA -2.270 55.227 58.100 -1.004 0.000 1.166 401 Y CB 0.689 38.689 38.460 -0.767 0.000 1.249 401 Y HN 0.389 nan 8.280 nan 0.000 0.479 402 F N 2.942 122.118 119.950 -1.290 0.000 2.388 402 F HA 0.566 5.093 4.527 0.000 0.000 0.358 402 F C -2.303 173.415 175.800 -0.138 0.000 1.122 402 F CA -2.751 54.904 58.000 -0.576 0.000 1.056 402 F CB 1.483 40.219 39.000 -0.440 0.000 1.155 402 F HN 0.359 nan 8.300 nan 0.000 0.461 403 P HA 0.127 nan 4.420 nan 0.000 0.273 403 P C -2.547 174.858 177.300 0.176 0.000 1.250 403 P CA -1.190 61.997 63.100 0.146 0.000 0.793 403 P CB -0.116 31.623 31.700 0.065 0.000 1.011 404 P HA -0.041 nan 4.420 nan 0.000 0.262 404 P C 0.882 178.277 177.300 0.158 0.000 1.182 404 P CA 1.291 64.495 63.100 0.172 0.000 0.761 404 P CB -0.102 31.680 31.700 0.138 0.000 0.795 405 G N 2.944 111.851 108.800 0.178 0.000 2.217 405 G HA2 -0.262 3.698 3.960 0.000 0.000 0.246 405 G HA3 -0.262 3.698 3.960 0.000 0.000 0.246 405 G C 0.777 175.795 174.900 0.196 0.000 0.990 405 G CA 0.078 45.272 45.100 0.157 0.000 0.627 405 G HN 0.434 nan 8.290 nan 0.000 0.522 406 I N 0.125 120.845 120.570 0.250 0.000 2.400 406 I HA 0.175 4.345 4.170 0.000 0.000 0.248 406 I C 2.582 178.942 176.117 0.404 0.000 1.109 406 I CA 1.224 62.729 61.300 0.342 0.000 1.425 406 I CB -1.128 37.007 38.000 0.225 0.000 1.094 406 I HN 0.276 nan 8.210 nan 0.000 0.425 407 L N 1.149 122.582 121.223 0.350 0.000 2.093 407 L HA -0.167 4.173 4.340 0.000 0.000 0.208 407 L C 2.584 179.521 176.870 0.112 0.000 1.085 407 L CA 2.353 57.272 54.840 0.133 0.000 0.755 407 L CB -0.964 41.062 42.059 -0.055 0.000 0.904 407 L HN 0.409 nan 8.230 nan 0.000 0.435 408 T N -4.225 110.408 114.554 0.131 0.000 2.857 408 T HA -0.128 4.222 4.350 0.000 0.000 0.266 408 T C 1.793 176.452 174.700 -0.068 0.000 1.048 408 T CA 0.852 63.004 62.100 0.086 0.000 1.139 408 T CB -0.315 68.611 68.868 0.097 0.000 0.874 408 T HN 0.343 nan 8.240 nan 0.000 0.455 409 Q N -0.014 119.743 119.800 -0.071 0.000 2.137 409 Q HA 0.093 4.433 4.340 0.000 0.000 0.198 409 Q C 1.283 176.966 176.000 -0.527 0.000 0.960 409 Q CA 1.292 56.914 55.803 -0.301 0.000 0.847 409 Q CB -0.080 28.472 28.738 -0.310 0.000 0.915 409 Q HN 0.763 nan 8.270 nan 0.000 0.448 410 Y N -1.597 118.635 120.300 -0.113 0.000 2.423 410 Y HA 0.261 4.811 4.550 0.000 0.000 0.257 410 Y C 2.102 177.888 175.900 -0.189 0.000 1.087 410 Y CA 0.125 58.145 58.100 -0.133 0.000 1.258 410 Y CB 0.110 38.536 38.460 -0.057 0.000 1.237 410 Y HN 0.099 nan 8.280 nan 0.000 0.517 411 G N 1.638 110.384 108.800 -0.090 0.000 2.450 411 G HA2 -0.286 3.674 3.960 0.000 0.000 0.220 411 G HA3 -0.286 3.674 3.960 0.000 0.000 0.220 411 G C 1.761 176.302 174.900 -0.598 0.000 1.130 411 G CA 1.157 46.144 45.100 -0.189 0.000 0.760 411 G HN 0.385 nan 8.290 nan 0.000 0.557 412 R N 0.764 120.594 120.500 -1.117 0.000 2.237 412 R HA -0.007 4.333 4.340 0.000 0.000 0.219 412 R C 2.084 178.160 176.300 -0.373 0.000 1.080 412 R CA 1.662 57.118 56.100 -1.073 0.000 0.995 412 R CB -0.662 28.941 30.300 -1.162 0.000 0.875 412 R HN 0.557 nan 8.270 nan 0.000 0.462 413 V N -2.071 117.691 119.914 -0.253 0.000 3.608 413 V HA 0.092 4.212 4.120 0.000 0.000 0.269 413 V C 2.129 178.139 176.094 -0.140 0.000 1.245 413 V CA 0.176 62.385 62.300 -0.153 0.000 1.138 413 V CB -0.330 31.410 31.823 -0.138 0.000 0.841 413 V HN 0.139 nan 8.190 nan 0.000 0.451 414 L N 1.583 122.760 121.223 -0.077 0.000 2.010 414 L HA -0.213 4.127 4.340 0.000 0.000 0.219 414 L C 2.865 179.704 176.870 -0.051 0.000 1.077 414 L CA 2.856 57.674 54.840 -0.037 0.000 0.773 414 L CB -0.176 41.955 42.059 0.120 0.000 0.892 414 L HN 0.553 nan 8.230 nan 0.000 0.436 415 R N -0.551 120.006 120.500 0.095 0.000 2.507 415 R HA 0.124 4.464 4.340 0.000 0.000 0.298 415 R C 0.581 177.026 176.300 0.242 0.000 0.999 415 R CA -0.230 56.002 56.100 0.221 0.000 1.082 415 R CB -0.080 30.410 30.300 0.316 0.000 1.246 415 R HN 0.246 nan 8.270 nan 0.000 0.553 416 Q N 2.700 122.572 119.800 0.119 0.000 2.271 416 Q HA 0.177 4.517 4.340 0.000 0.000 0.273 416 Q C -2.050 174.060 176.000 0.184 0.000 1.051 416 Q CA -2.117 53.754 55.803 0.113 0.000 0.901 416 Q CB 0.818 29.565 28.738 0.016 0.000 1.174 416 Q HN 0.065 nan 8.270 nan 0.000 0.385 417 P HA -0.048 nan 4.420 nan 0.000 0.266 417 P C -1.217 176.073 177.300 -0.016 0.000 1.195 417 P CA -0.026 63.008 63.100 -0.109 0.000 0.768 417 P CB 0.657 32.020 31.700 -0.563 0.000 0.838 418 V N 3.603 123.530 119.914 0.021 0.000 2.257 418 V HA 0.128 4.248 4.120 0.000 0.000 0.269 418 V C 0.753 176.817 176.094 -0.050 0.000 1.040 418 V CA 0.209 62.524 62.300 0.025 0.000 0.813 418 V CB -0.137 31.753 31.823 0.112 0.000 1.065 418 V HN 0.792 nan 8.190 nan 0.000 0.457 419 D N 4.017 124.388 120.400 -0.048 0.000 4.372 419 D HA -0.311 4.329 4.640 0.000 0.000 0.169 419 D C 1.357 177.645 176.300 -0.019 0.000 0.680 419 D CA 2.447 56.438 54.000 -0.015 0.000 1.152 419 D CB -0.305 40.499 40.800 0.006 0.000 0.585 419 D HN 0.542 nan 8.370 nan 0.000 0.493 420 R N -0.149 120.368 120.500 0.028 0.000 2.472 420 R HA 0.438 4.778 4.340 0.000 0.000 0.279 420 R C -0.189 176.216 176.300 0.175 0.000 0.953 420 R CA -0.155 56.062 56.100 0.194 0.000 1.088 420 R CB 0.448 30.807 30.300 0.098 0.000 1.197 420 R HN 0.306 nan 8.270 nan 0.000 0.536 421 I N 1.197 121.717 120.570 -0.082 0.000 2.342 421 I HA 0.208 4.378 4.170 0.000 0.000 0.291 421 I C -0.553 175.206 176.117 -0.597 0.000 1.010 421 I CA -0.584 60.574 61.300 -0.236 0.000 1.308 421 I CB 0.583 38.416 38.000 -0.277 0.000 1.400 421 I HN -0.099 nan 8.210 nan 0.000 0.488 422 Y N 5.239 125.287 120.300 -0.421 0.000 2.487 422 Y HA 0.529 5.079 4.550 0.000 0.000 0.337 422 Y C -0.516 175.061 175.900 -0.538 0.000 1.076 422 Y CA -0.667 57.222 58.100 -0.351 0.000 1.115 422 Y CB 1.613 39.994 38.460 -0.133 0.000 1.235 422 Y HN 0.297 nan 8.280 nan 0.000 0.468 423 F N 1.604 121.663 119.950 0.181 0.000 2.402 423 F HA 0.704 5.231 4.527 0.000 0.000 0.355 423 F C 0.417 176.296 175.800 0.133 0.000 1.123 423 F CA -0.510 57.570 58.000 0.133 0.000 1.021 423 F CB 1.032 40.092 39.000 0.100 0.000 1.160 423 F HN 0.606 nan 8.300 nan 0.000 0.451 424 A N 2.381 125.352 122.820 0.251 0.000 3.521 424 A HA 0.959 5.279 4.320 0.000 0.000 0.181 424 A C 0.389 178.101 177.584 0.213 0.000 1.386 424 A CA -0.412 51.737 52.037 0.186 0.000 0.873 424 A CB -0.029 19.037 19.000 0.110 0.000 1.634 424 A HN 1.428 nan 8.150 nan 0.000 0.551 425 G N -2.438 106.465 108.800 0.172 0.000 2.722 425 G HA2 0.052 4.012 3.960 0.000 0.000 0.686 425 G HA3 0.052 4.012 3.960 0.000 0.000 0.686 425 G C 0.484 175.509 174.900 0.208 0.000 1.282 425 G CA 0.599 45.806 45.100 0.178 0.000 0.817 425 G HN 1.544 nan 8.290 nan 0.000 0.605 426 T N 0.037 114.716 114.554 0.208 0.000 2.849 426 T HA -0.088 4.262 4.350 0.000 0.000 0.270 426 T C 2.118 177.014 174.700 0.327 0.000 1.066 426 T CA 2.595 64.845 62.100 0.251 0.000 1.130 426 T CB -0.185 68.826 68.868 0.239 0.000 0.864 426 T HN 0.606 nan 8.240 nan 0.000 0.481 427 E N 0.468 120.863 120.200 0.325 0.000 2.265 427 E HA -0.063 4.287 4.350 0.000 0.000 0.196 427 E C 2.226 179.080 176.600 0.424 0.000 0.996 427 E CA 1.519 58.160 56.400 0.402 0.000 0.832 427 E CB -0.156 29.738 29.700 0.324 0.000 0.756 427 E HN 0.702 nan 8.360 nan 0.000 0.491 428 T N -2.772 111.996 114.554 0.356 0.000 3.086 428 T HA 0.453 4.803 4.350 0.000 0.000 0.250 428 T C 0.810 175.746 174.700 0.393 0.000 1.074 428 T CA 0.012 62.324 62.100 0.353 0.000 0.988 428 T CB 0.222 69.275 68.868 0.308 0.000 0.988 428 T HN 0.089 nan 8.240 nan 0.000 0.530 429 A N 1.763 124.818 122.820 0.392 0.000 2.366 429 A HA 0.533 4.853 4.320 0.000 0.000 0.249 429 A C 1.488 179.344 177.584 0.455 0.000 1.084 429 A CA 0.147 52.419 52.037 0.392 0.000 0.794 429 A CB 0.321 19.513 19.000 0.319 0.000 1.034 429 A HN 0.520 nan 8.150 nan 0.000 0.491 430 T N -2.342 112.461 114.554 0.414 0.000 3.044 430 T HA 0.234 4.584 4.350 0.000 0.000 0.260 430 T C 0.250 175.074 174.700 0.206 0.000 1.019 430 T CA 0.612 62.918 62.100 0.344 0.000 0.921 430 T CB -0.343 68.678 68.868 0.255 0.000 1.053 430 T HN 0.749 nan 8.240 nan 0.000 0.533 431 H N -0.926 118.188 119.070 0.074 0.000 3.018 431 H HA 0.259 4.815 4.556 0.000 0.000 0.334 431 H C -0.961 174.406 175.328 0.065 0.000 0.983 431 H CA -1.050 54.969 56.048 -0.049 0.000 1.363 431 H CB 0.887 30.671 29.762 0.037 0.000 1.668 431 H HN 0.321 nan 8.280 nan 0.000 0.513 432 W N 2.148 123.175 121.300 -0.454 0.000 5.538 432 W HA -0.249 4.411 4.660 0.000 0.000 0.377 432 W C 0.553 177.027 176.519 -0.075 0.000 1.406 432 W CA 0.911 57.979 57.345 -0.462 0.000 0.940 432 W CB -1.742 27.355 29.460 -0.605 0.000 2.536 432 W HN 0.398 nan 8.180 nan 0.000 1.504 433 S N 0.527 116.287 115.700 0.100 0.000 2.563 433 S HA 0.346 4.816 4.470 0.000 0.000 0.294 433 S C 1.415 176.253 174.600 0.397 0.000 1.279 433 S CA 1.840 60.203 58.200 0.272 0.000 1.069 433 S CB 0.620 64.021 63.200 0.336 0.000 0.828 433 S HN 1.423 nan 8.310 nan 0.000 0.497 434 G N 3.258 112.346 108.800 0.479 0.000 2.213 434 G HA2 -0.204 3.756 3.960 0.000 0.000 0.226 434 G HA3 -0.204 3.756 3.960 0.000 0.000 0.226 434 G C -0.212 174.793 174.900 0.175 0.000 0.992 434 G CA 0.199 45.572 45.100 0.455 0.000 0.632 434 G HN 0.683 nan 8.290 nan 0.000 0.511 435 Y N -0.268 120.150 120.300 0.196 0.000 2.602 435 Y HA 0.705 5.255 4.550 0.000 0.000 0.330 435 Y C 2.016 177.956 175.900 0.066 0.000 1.114 435 Y CA -0.722 57.439 58.100 0.102 0.000 1.182 435 Y CB 0.881 39.382 38.460 0.067 0.000 1.305 435 Y HN -0.017 nan 8.280 nan 0.000 0.502 436 M N -0.080 119.624 119.600 0.173 0.000 2.108 436 M HA -0.258 4.222 4.480 0.000 0.000 0.257 436 M C 1.884 178.248 176.300 0.106 0.000 1.071 436 M CA 2.143 57.513 55.300 0.117 0.000 1.093 436 M CB -0.285 32.376 32.600 0.102 0.000 1.345 436 M HN 0.800 nan 8.290 nan 0.000 0.403 437 E N 0.620 120.860 120.200 0.066 0.000 2.070 437 E HA -0.163 4.187 4.350 0.000 0.000 0.197 437 E C 1.951 178.617 176.600 0.109 0.000 1.004 437 E CA 2.123 58.527 56.400 0.006 0.000 0.805 437 E CB -0.688 28.872 29.700 -0.233 0.000 0.744 437 E HN 0.452 nan 8.360 nan 0.000 0.451 438 G N -0.030 108.888 108.800 0.197 0.000 2.422 438 G HA2 -0.193 3.767 3.960 0.000 0.000 0.218 438 G HA3 -0.193 3.767 3.960 0.000 0.000 0.218 438 G C 1.710 176.726 174.900 0.193 0.000 1.140 438 G CA 1.051 46.287 45.100 0.228 0.000 0.775 438 G HN 0.476 nan 8.290 nan 0.000 0.545 439 A N 0.283 123.205 122.820 0.170 0.000 1.908 439 A HA 0.005 4.325 4.320 0.000 0.000 0.218 439 A C 2.612 180.257 177.584 0.102 0.000 1.181 439 A CA 2.018 54.135 52.037 0.134 0.000 0.627 439 A CB -0.645 18.421 19.000 0.111 0.000 0.818 439 A HN 0.274 nan 8.150 nan 0.000 0.445 440 V N -0.046 119.921 119.914 0.088 0.000 2.307 440 V HA -0.252 3.868 4.120 0.000 0.000 0.245 440 V C 2.522 178.654 176.094 0.064 0.000 1.045 440 V CA 2.154 64.491 62.300 0.061 0.000 1.024 440 V CB -0.810 31.043 31.823 0.049 0.000 0.651 440 V HN 0.745 nan 8.190 nan 0.000 0.449 441 E N 0.558 120.815 120.200 0.096 0.000 2.049 441 E HA -0.301 4.049 4.350 0.000 0.000 0.198 441 E C 2.229 178.862 176.600 0.054 0.000 1.007 441 E CA 1.877 58.339 56.400 0.103 0.000 0.809 441 E CB -0.216 29.595 29.700 0.184 0.000 0.749 441 E HN 0.539 nan 8.360 nan 0.000 0.450 442 A N 0.630 123.507 122.820 0.095 0.000 1.898 442 A HA -0.073 4.247 4.320 0.000 0.000 0.216 442 A C 2.416 180.020 177.584 0.033 0.000 1.181 442 A CA 1.773 53.858 52.037 0.081 0.000 0.620 442 A CB -1.059 18.037 19.000 0.159 0.000 0.819 442 A HN 0.464 nan 8.150 nan 0.000 0.442 443 G N -0.501 108.323 108.800 0.040 0.000 2.404 443 G HA2 -0.190 3.770 3.960 0.000 0.000 0.215 443 G HA3 -0.190 3.770 3.960 0.000 0.000 0.215 443 G C 1.454 176.338 174.900 -0.026 0.000 1.174 443 G CA 0.957 46.068 45.100 0.018 0.000 0.780 443 G HN 0.640 nan 8.290 nan 0.000 0.537 444 E N -0.283 119.896 120.200 -0.035 0.000 2.107 444 E HA -0.035 4.315 4.350 0.000 0.000 0.191 444 E C 2.572 179.091 176.600 -0.134 0.000 0.982 444 E CA 0.074 56.435 56.400 -0.065 0.000 0.809 444 E CB -0.066 29.610 29.700 -0.039 0.000 0.756 444 E HN 0.181 nan 8.360 nan 0.000 0.459 445 R N 1.311 121.694 120.500 -0.196 0.000 2.081 445 R HA -0.092 4.248 4.340 0.000 0.000 0.235 445 R C 2.064 178.185 176.300 -0.297 0.000 1.131 445 R CA 1.541 57.409 56.100 -0.387 0.000 0.960 445 R CB -0.350 29.529 30.300 -0.701 0.000 0.856 445 R HN 0.148 nan 8.270 nan 0.000 0.436 446 A N 0.781 123.501 122.820 -0.166 0.000 1.902 446 A HA -0.042 4.278 4.320 0.000 0.000 0.217 446 A C 2.418 179.896 177.584 -0.177 0.000 1.181 446 A CA 1.751 53.731 52.037 -0.095 0.000 0.623 446 A CB -0.702 18.303 19.000 0.009 0.000 0.818 446 A HN 0.500 nan 8.150 nan 0.000 0.443 447 A N -0.146 122.585 122.820 -0.148 0.000 1.902 447 A HA -0.177 4.143 4.320 0.000 0.000 0.217 447 A C 2.254 179.714 177.584 -0.206 0.000 1.181 447 A CA 1.583 53.523 52.037 -0.162 0.000 0.623 447 A CB -0.448 18.493 19.000 -0.100 0.000 0.818 447 A HN 0.556 nan 8.150 nan 0.000 0.443 448 R N -0.484 119.901 120.500 -0.192 0.000 2.092 448 R HA -0.085 4.255 4.340 0.000 0.000 0.231 448 R C 2.071 178.251 176.300 -0.200 0.000 1.119 448 R CA 1.297 57.291 56.100 -0.178 0.000 0.970 448 R CB -0.305 29.898 30.300 -0.162 0.000 0.864 448 R HN 0.673 nan 8.270 nan 0.000 0.440 449 E N 0.684 120.732 120.200 -0.254 0.000 2.097 449 E HA -0.226 4.124 4.350 0.000 0.000 0.196 449 E C 1.950 178.252 176.600 -0.497 0.000 1.000 449 E CA 1.278 57.520 56.400 -0.263 0.000 0.804 449 E CB -0.151 29.442 29.700 -0.179 0.000 0.740 449 E HN 0.359 nan 8.360 nan 0.000 0.454 450 I N 0.796 120.940 120.570 -0.711 0.000 2.252 450 I HA -0.263 3.907 4.170 0.000 0.000 0.245 450 I C 2.292 178.103 176.117 -0.510 0.000 1.102 450 I CA 0.825 61.612 61.300 -0.853 0.000 1.385 450 I CB -0.152 37.386 38.000 -0.770 0.000 1.064 450 I HN 0.112 nan 8.210 nan 0.000 0.414 451 L N -0.077 120.968 121.223 -0.297 0.000 2.083 451 L HA -0.273 4.067 4.340 0.000 0.000 0.209 451 L C 2.705 179.507 176.870 -0.113 0.000 1.083 451 L CA 1.598 56.337 54.840 -0.169 0.000 0.752 451 L CB -0.889 41.106 42.059 -0.107 0.000 0.899 451 L HN 0.357 nan 8.230 nan 0.000 0.433 452 H N 0.081 119.047 119.070 -0.174 0.000 2.357 452 H HA -0.091 4.465 4.556 0.000 0.000 0.301 452 H C 2.138 177.412 175.328 -0.091 0.000 1.082 452 H CA 1.442 57.428 56.048 -0.103 0.000 1.342 452 H CB 0.090 29.810 29.762 -0.071 0.000 1.389 452 H HN 0.247 nan 8.280 nan 0.000 0.511 453 A N 0.562 123.242 122.820 -0.234 0.000 1.972 453 A HA -0.143 4.177 4.320 0.000 0.000 0.219 453 A C 2.311 179.809 177.584 -0.144 0.000 1.169 453 A CA 1.741 53.656 52.037 -0.204 0.000 0.635 453 A CB -0.608 18.264 19.000 -0.214 0.000 0.810 453 A HN 0.568 nan 8.150 nan 0.000 0.446 454 M N -1.641 117.859 119.600 -0.168 0.000 2.558 454 M HA 0.136 4.616 4.480 0.000 0.000 0.255 454 M C 1.366 177.627 176.300 -0.065 0.000 1.113 454 M CA 0.858 56.126 55.300 -0.054 0.000 1.097 454 M CB 0.140 32.711 32.600 -0.048 0.000 1.426 454 M HN 0.643 nan 8.290 nan 0.000 0.488 455 G N 1.052 109.774 108.800 -0.129 0.000 2.132 455 G HA2 -0.249 3.711 3.960 0.000 0.000 0.234 455 G HA3 -0.249 3.711 3.960 0.000 0.000 0.234 455 G C 0.788 175.648 174.900 -0.066 0.000 0.989 455 G CA 0.394 45.424 45.100 -0.117 0.000 0.676 455 G HN 0.447 nan 8.290 nan 0.000 0.522 456 K N -0.462 119.902 120.400 -0.060 0.000 2.211 456 K HA 0.344 4.664 4.320 0.000 0.000 0.201 456 K C 1.442 178.035 176.600 -0.011 0.000 1.052 456 K CA 1.249 57.516 56.287 -0.033 0.000 0.973 456 K CB 0.284 32.760 32.500 -0.040 0.000 0.766 456 K HN 0.788 nan 8.250 nan 0.000 0.466 457 I N -1.438 119.138 120.570 0.010 0.000 2.892 457 I HA 0.486 4.656 4.170 0.000 0.000 0.306 457 I C -2.882 173.315 176.117 0.132 0.000 1.078 457 I CA -3.034 58.296 61.300 0.049 0.000 1.032 457 I CB 2.155 40.174 38.000 0.031 0.000 1.229 457 I HN -0.237 nan 8.210 nan 0.000 0.435 458 P HA 0.134 nan 4.420 nan 0.000 0.276 458 P C 0.172 177.562 177.300 0.150 0.000 1.252 458 P CA -0.043 63.160 63.100 0.172 0.000 0.802 458 P CB 1.189 32.941 31.700 0.088 0.000 1.035 459 E N 0.627 120.867 120.200 0.065 0.000 2.118 459 E HA -0.227 4.123 4.350 0.000 0.000 0.195 459 E C 1.176 177.720 176.600 -0.093 0.000 0.992 459 E CA 1.500 57.728 56.400 -0.287 0.000 0.804 459 E CB -0.136 29.434 29.700 -0.215 0.000 0.741 459 E HN 0.474 nan 8.360 nan 0.000 0.458 460 D N -0.167 120.232 120.400 -0.001 0.000 2.371 460 D HA -0.160 4.480 4.640 0.000 0.000 0.221 460 D C 0.877 177.207 176.300 0.051 0.000 0.986 460 D CA 0.646 54.667 54.000 0.035 0.000 0.899 460 D CB -0.109 40.712 40.800 0.035 0.000 0.902 460 D HN 0.342 nan 8.370 nan 0.000 0.530 461 E N -0.212 120.006 120.200 0.031 0.000 2.481 461 E HA 0.172 4.522 4.350 0.000 0.000 0.198 461 E C 1.958 178.557 176.600 -0.001 0.000 1.027 461 E CA -0.305 56.111 56.400 0.027 0.000 0.900 461 E CB 0.380 30.093 29.700 0.020 0.000 0.993 461 E HN 0.299 nan 8.360 nan 0.000 0.482 462 I N -0.017 120.541 120.570 -0.020 0.000 2.179 462 I HA -0.187 3.983 4.170 0.000 0.000 0.242 462 I C 0.441 176.415 176.117 -0.240 0.000 1.088 462 I CA 1.171 62.391 61.300 -0.134 0.000 1.357 462 I CB 0.057 37.976 38.000 -0.134 0.000 1.051 462 I HN 0.107 nan 8.210 nan 0.000 0.409 463 W N 1.838 123.134 121.300 -0.007 0.000 2.329 463 W HA 0.473 5.133 4.660 0.000 0.000 0.312 463 W C -0.287 176.237 176.519 0.008 0.000 1.054 463 W CA -0.291 57.061 57.345 0.012 0.000 1.245 463 W CB 0.645 30.113 29.460 0.013 0.000 1.255 463 W HN -0.056 nan 8.180 nan 0.000 0.436 464 Q N 2.219 122.124 119.800 0.174 0.000 2.340 464 Q HA 0.353 4.693 4.340 0.000 0.000 0.268 464 Q C 0.164 176.233 176.000 0.116 0.000 1.031 464 Q CA -0.753 55.117 55.803 0.112 0.000 0.804 464 Q CB 2.286 31.055 28.738 0.052 0.000 1.286 464 Q HN 0.538 nan 8.270 nan 0.000 0.448 465 S N 1.390 117.146 115.700 0.092 0.000 2.576 465 S HA 0.172 4.642 4.470 0.000 0.000 0.272 465 S C -0.102 174.537 174.600 0.065 0.000 1.352 465 S CA -0.472 57.772 58.200 0.073 0.000 1.021 465 S CB 1.109 64.337 63.200 0.046 0.000 0.887 465 S HN 0.602 nan 8.310 nan 0.000 0.542 466 E N 1.111 121.351 120.200 0.067 0.000 2.176 466 E HA 0.575 4.925 4.350 0.000 0.000 0.267 466 E C -2.749 173.880 176.600 0.049 0.000 0.893 466 E CA -2.192 54.245 56.400 0.061 0.000 0.761 466 E CB 0.901 30.650 29.700 0.081 0.000 1.133 466 E HN 0.548 nan 8.360 nan 0.000 0.409 467 P HA 0.074 nan 4.420 nan 0.000 0.268 467 P C -0.776 176.544 177.300 0.033 0.000 1.205 467 P CA -0.218 62.900 63.100 0.030 0.000 0.771 467 P CB 0.518 32.232 31.700 0.024 0.000 0.858 468 E N 1.670 121.888 120.200 0.029 0.000 2.452 468 E HA 0.058 4.408 4.350 0.000 0.000 0.261 468 E C -0.064 176.549 176.600 0.023 0.000 0.987 468 E CA -0.213 56.205 56.400 0.029 0.000 0.926 468 E CB 0.388 30.103 29.700 0.025 0.000 0.934 468 E HN 0.379 nan 8.360 nan 0.000 0.452 469 S N 2.643 118.355 115.700 0.020 0.000 2.560 469 S HA -0.030 4.440 4.470 0.000 0.000 0.284 469 S C 1.065 175.672 174.600 0.012 0.000 1.327 469 S CA -0.129 58.079 58.200 0.014 0.000 1.055 469 S CB 0.921 64.125 63.200 0.006 0.000 0.868 469 S HN 0.547 nan 8.310 nan 0.000 0.506 470 V N 1.597 121.519 119.914 0.012 0.000 3.235 470 V HA 0.132 4.252 4.120 0.000 0.000 0.259 470 V C 1.335 177.435 176.094 0.010 0.000 1.133 470 V CA 1.189 63.496 62.300 0.011 0.000 1.128 470 V CB -0.477 31.353 31.823 0.012 0.000 0.757 470 V HN 0.813 nan 8.190 nan 0.000 0.469 471 D N 1.077 121.483 120.400 0.010 0.000 2.249 471 D HA 0.097 4.737 4.640 0.000 0.000 0.205 471 D C 0.696 176.996 176.300 -0.000 0.000 0.962 471 D CA 1.066 55.072 54.000 0.010 0.000 0.860 471 D CB 0.912 41.722 40.800 0.017 0.000 0.955 471 D HN 0.495 nan 8.370 nan 0.000 0.505 472 V N 3.894 123.804 119.914 -0.007 0.000 2.383 472 V HA 0.185 4.305 4.120 0.000 0.000 0.261 472 V C -2.351 173.735 176.094 -0.014 0.000 0.987 472 V CA -1.269 61.018 62.300 -0.022 0.000 0.853 472 V CB 1.420 33.214 31.823 -0.048 0.000 1.095 472 V HN -0.043 nan 8.190 nan 0.000 0.461 473 P HA 0.299 nan 4.420 nan 0.000 0.271 473 P C -0.410 176.890 177.300 0.001 0.000 1.218 473 P CA 0.012 63.113 63.100 0.001 0.000 0.780 473 P CB 1.496 33.197 31.700 0.002 0.000 0.901 474 A N 3.311 126.137 122.820 0.009 0.000 2.253 474 A HA 0.258 4.578 4.320 0.000 0.000 0.316 474 A C 0.386 177.977 177.584 0.011 0.000 1.327 474 A CA -0.559 51.487 52.037 0.015 0.000 0.917 474 A CB 0.071 19.091 19.000 0.033 0.000 1.162 474 A HN 0.419 nan 8.150 nan 0.000 0.535 475 Q N 2.907 122.711 119.800 0.007 0.000 2.364 475 Q HA 0.236 4.576 4.340 0.000 0.000 0.267 475 Q C -2.183 173.820 176.000 0.005 0.000 0.999 475 Q CA -1.400 54.406 55.803 0.005 0.000 0.886 475 Q CB 0.461 29.200 28.738 0.002 0.000 1.243 475 Q HN 0.557 nan 8.270 nan 0.000 0.415 476 P HA 0.177 nan 4.420 nan 0.000 0.274 476 P C -0.319 176.978 177.300 -0.005 0.000 1.237 476 P CA -0.395 62.704 63.100 -0.002 0.000 0.793 476 P CB 0.749 32.446 31.700 -0.004 0.000 0.977 477 I N 1.772 122.334 120.570 -0.013 0.000 2.371 477 I HA 0.205 4.375 4.170 0.000 0.000 0.290 477 I C 1.183 177.289 176.117 -0.017 0.000 1.028 477 I CA 0.188 61.479 61.300 -0.016 0.000 1.345 477 I CB 0.074 38.057 38.000 -0.028 0.000 1.407 477 I HN 0.425 nan 8.210 nan 0.000 0.501 478 T N 1.861 116.409 114.554 -0.010 0.000 2.908 478 T HA 0.802 5.152 4.350 0.000 0.000 0.290 478 T C -0.100 174.590 174.700 -0.016 0.000 1.034 478 T CA -0.692 61.403 62.100 -0.010 0.000 1.010 478 T CB 2.240 71.109 68.868 0.002 0.000 1.068 478 T HN 0.661 nan 8.240 nan 0.000 0.481 479 T N -1.071 113.471 114.554 -0.020 0.000 2.916 479 T HA 0.725 5.075 4.350 0.000 0.000 0.292 479 T C 0.316 175.016 174.700 -0.000 0.000 1.055 479 T CA -0.679 61.402 62.100 -0.032 0.000 1.009 479 T CB 1.301 70.128 68.868 -0.068 0.000 1.118 479 T HN 1.034 nan 8.240 nan 0.000 0.497 480 T N -0.124 114.435 114.554 0.008 0.000 2.874 480 T HA 0.372 4.722 4.350 0.000 0.000 0.281 480 T C 0.865 175.620 174.700 0.091 0.000 0.994 480 T CA -0.802 61.337 62.100 0.064 0.000 1.015 480 T CB 0.506 69.414 68.868 0.067 0.000 1.028 480 T HN 0.512 nan 8.240 nan 0.000 0.523 481 F N 0.854 120.822 119.950 0.031 0.000 2.120 481 F HA -0.062 4.465 4.527 0.000 0.000 0.300 481 F C 1.945 177.811 175.800 0.109 0.000 1.095 481 F CA 1.477 59.536 58.000 0.099 0.000 1.249 481 F CB -0.491 38.572 39.000 0.105 0.000 0.995 481 F HN 0.505 nan 8.300 nan 0.000 0.480 482 L N -0.311 120.974 121.223 0.103 0.000 2.056 482 L HA -0.193 4.147 4.340 0.000 0.000 0.207 482 L C 2.392 179.230 176.870 -0.053 0.000 1.078 482 L CA 1.632 56.477 54.840 0.009 0.000 0.749 482 L CB -0.829 41.283 42.059 0.088 0.000 0.901 482 L HN 0.171 nan 8.230 nan 0.000 0.433 483 E N -0.027 120.151 120.200 -0.037 0.000 2.085 483 E HA -0.249 4.101 4.350 0.000 0.000 0.194 483 E C 2.349 178.834 176.600 -0.192 0.000 0.994 483 E CA 1.237 57.585 56.400 -0.087 0.000 0.801 483 E CB -0.026 29.622 29.700 -0.087 0.000 0.743 483 E HN 0.376 nan 8.360 nan 0.000 0.453 484 R N -0.354 119.973 120.500 -0.287 0.000 2.073 484 R HA -0.095 4.245 4.340 0.000 0.000 0.234 484 R C 1.962 177.872 176.300 -0.649 0.000 1.134 484 R CA 1.278 57.070 56.100 -0.513 0.000 0.952 484 R CB -0.088 29.790 30.300 -0.702 0.000 0.850 484 R HN 0.341 nan 8.270 nan 0.000 0.433 485 H N -0.720 118.138 119.070 -0.353 0.000 2.740 485 H HA 0.198 4.754 4.556 0.000 0.000 0.265 485 H C 0.415 175.612 175.328 -0.219 0.000 0.978 485 H CA -0.165 55.674 56.048 -0.347 0.000 1.198 485 H CB 0.355 29.757 29.762 -0.600 0.000 1.467 485 H HN 0.046 nan 8.280 nan 0.000 0.511 486 L N 4.499 125.668 121.223 -0.090 0.000 2.525 486 L HA 0.027 4.367 4.340 0.000 0.000 0.278 486 L C -1.635 175.201 176.870 -0.058 0.000 1.218 486 L CA -1.324 53.493 54.840 -0.038 0.000 0.878 486 L CB 0.268 42.339 42.059 0.019 0.000 1.127 486 L HN -0.006 nan 8.230 nan 0.000 0.492 487 P HA 0.110 nan 4.420 nan 0.000 0.274 487 P C -0.547 176.693 177.300 -0.100 0.000 1.237 487 P CA -0.583 62.472 63.100 -0.075 0.000 0.793 487 P CB 0.919 32.576 31.700 -0.071 0.000 0.977 488 S N 0.104 115.723 115.700 -0.134 0.000 2.606 488 S HA 0.075 4.545 4.470 0.000 0.000 0.257 488 S C 1.543 175.992 174.600 -0.251 0.000 1.327 488 S CA -0.551 57.539 58.200 -0.183 0.000 0.984 488 S CB -0.448 62.631 63.200 -0.202 0.000 0.941 488 S HN 0.228 nan 8.310 nan 0.000 0.576 489 V N 2.364 122.063 119.914 -0.359 0.000 2.233 489 V HA -0.082 4.038 4.120 0.000 0.000 0.247 489 V C -0.380 175.300 176.094 -0.690 0.000 1.050 489 V CA 1.981 63.994 62.300 -0.478 0.000 1.010 489 V CB -1.961 29.587 31.823 -0.457 0.000 0.637 489 V HN 0.813 nan 8.190 nan 0.000 0.444 490 P HA -0.091 nan 4.420 nan 0.000 0.220 490 P C 1.736 178.821 177.300 -0.358 0.000 1.148 490 P CA 1.886 64.511 63.100 -0.792 0.000 0.803 490 P CB -0.268 31.011 31.700 -0.701 0.000 0.782 491 G N 0.840 109.470 108.800 -0.282 0.000 2.418 491 G HA2 -0.247 3.713 3.960 0.000 0.000 0.217 491 G HA3 -0.247 3.713 3.960 0.000 0.000 0.217 491 G C 1.506 176.324 174.900 -0.136 0.000 1.158 491 G CA 0.634 45.636 45.100 -0.164 0.000 0.771 491 G HN 0.260 nan 8.290 nan 0.000 0.545 492 L N 0.355 121.485 121.223 -0.156 0.000 2.093 492 L HA 0.161 4.501 4.340 0.000 0.000 0.208 492 L C 2.669 179.479 176.870 -0.101 0.000 1.085 492 L CA 1.220 55.994 54.840 -0.109 0.000 0.755 492 L CB -0.330 41.670 42.059 -0.099 0.000 0.904 492 L HN 0.197 nan 8.230 nan 0.000 0.435 493 L N -0.868 120.268 121.223 -0.145 0.000 2.046 493 L HA -0.204 4.136 4.340 0.000 0.000 0.208 493 L C 2.778 179.608 176.870 -0.067 0.000 1.077 493 L CA 1.287 56.065 54.840 -0.103 0.000 0.747 493 L CB -0.504 41.472 42.059 -0.137 0.000 0.896 493 L HN 0.240 nan 8.230 nan 0.000 0.432 494 R N -0.587 119.866 120.500 -0.079 0.000 2.096 494 R HA -0.165 4.175 4.340 0.000 0.000 0.235 494 R C 2.182 178.461 176.300 -0.035 0.000 1.127 494 R CA 1.043 57.115 56.100 -0.047 0.000 0.968 494 R CB -0.339 29.931 30.300 -0.050 0.000 0.861 494 R HN 0.181 nan 8.270 nan 0.000 0.440 495 L N 0.712 121.909 121.223 -0.043 0.000 2.056 495 L HA -0.113 4.227 4.340 0.000 0.000 0.207 495 L C 2.067 178.924 176.870 -0.021 0.000 1.078 495 L CA 1.525 56.347 54.840 -0.030 0.000 0.749 495 L CB -0.315 41.724 42.059 -0.034 0.000 0.901 495 L HN 0.125 nan 8.230 nan 0.000 0.433 496 I N -1.167 119.389 120.570 -0.024 0.000 2.179 496 I HA -0.216 3.954 4.170 0.000 0.000 0.242 496 I C 2.390 178.502 176.117 -0.008 0.000 1.088 496 I CA 1.398 62.689 61.300 -0.014 0.000 1.357 496 I CB -0.933 37.059 38.000 -0.014 0.000 1.051 496 I HN 0.335 nan 8.210 nan 0.000 0.409 497 G N 0.454 109.250 108.800 -0.008 0.000 2.470 497 G HA2 -0.197 3.763 3.960 0.000 0.000 0.220 497 G HA3 -0.197 3.763 3.960 0.000 0.000 0.220 497 G C 1.599 176.498 174.900 -0.002 0.000 1.121 497 G CA 0.501 45.601 45.100 -0.001 0.000 0.766 497 G HN 0.205 nan 8.290 nan 0.000 0.553 498 L N -0.033 121.187 121.223 -0.005 0.000 2.202 498 L HA 0.153 4.493 4.340 0.000 0.000 0.205 498 L C 2.993 179.862 176.870 -0.003 0.000 1.083 498 L CA 1.463 56.301 54.840 -0.004 0.000 0.790 498 L CB -0.197 41.857 42.059 -0.007 0.000 0.942 498 L HN 0.091 nan 8.230 nan 0.000 0.452 499 T N -1.818 112.733 114.554 -0.004 0.000 2.857 499 T HA -0.125 4.225 4.350 0.000 0.000 0.266 499 T C 1.664 176.364 174.700 -0.000 0.000 1.048 499 T CA 1.711 63.810 62.100 -0.002 0.000 1.139 499 T CB -0.186 68.680 68.868 -0.003 0.000 0.874 499 T HN 0.263 nan 8.240 nan 0.000 0.455 500 T N 1.226 115.780 114.554 0.001 0.000 2.995 500 T HA 0.237 4.587 4.350 0.000 0.000 0.269 500 T C 0.934 175.635 174.700 0.003 0.000 1.091 500 T CA 0.893 62.994 62.100 0.003 0.000 1.128 500 T CB -0.588 68.282 68.868 0.004 0.000 0.891 500 T HN 0.507 nan 8.240 nan 0.000 0.492 501 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