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 2xfo_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 GGTTRIASTT 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 0.000 175.541 175.510 0.052 0.000 1.280 3 N CA 0.000 52.975 53.050 -0.125 0.000 0.885 3 N CB 0.000 38.421 38.487 -0.111 0.000 1.341 4 K N 0.737 121.168 120.400 0.053 0.000 2.156 4 K HA 0.647 4.967 4.320 0.000 0.000 0.271 4 K C -0.659 175.988 176.600 0.078 0.000 0.995 4 K CA -0.644 55.679 56.287 0.061 0.000 0.890 4 K CB 1.839 34.357 32.500 0.030 0.000 1.073 4 K HN 0.583 nan 8.250 nan 0.000 0.454 5 C N -1.316 118.030 119.300 0.077 0.000 3.314 5 C HA 0.360 4.820 4.460 0.000 0.000 0.344 5 C C 0.655 175.681 174.990 0.060 0.000 1.461 5 C CA -0.824 58.235 59.018 0.069 0.000 1.249 5 C CB 0.873 28.660 27.740 0.079 0.000 1.632 5 C HN 0.802 nan 8.230 nan 0.000 0.452 6 D N 0.165 120.602 120.400 0.062 0.000 2.137 6 D HA 0.126 4.766 4.640 0.000 0.000 0.202 6 D C 0.306 176.672 176.300 0.109 0.000 0.970 6 D CA 1.701 55.749 54.000 0.079 0.000 0.837 6 D CB 0.254 41.098 40.800 0.072 0.000 0.981 6 D HN 0.486 nan 8.370 nan 0.000 0.475 7 V N 1.154 121.118 119.914 0.084 0.000 2.655 7 V HA 0.184 4.304 4.120 0.000 0.000 0.301 7 V C -0.362 175.757 176.094 0.041 0.000 1.082 7 V CA -0.812 61.539 62.300 0.085 0.000 0.899 7 V CB 2.818 34.679 31.823 0.063 0.000 1.014 7 V HN -0.275 nan 8.190 nan 0.000 0.429 8 V N 5.411 125.346 119.914 0.035 0.000 2.432 8 V HA 0.403 4.523 4.120 0.000 0.000 0.275 8 V C -0.015 176.068 176.094 -0.018 0.000 1.043 8 V CA -0.408 61.882 62.300 -0.016 0.000 0.925 8 V CB 1.849 33.660 31.823 -0.020 0.000 0.985 8 V HN 0.628 nan 8.190 nan 0.000 0.466 9 V N 6.343 126.230 119.914 -0.045 0.000 2.350 9 V HA 0.313 4.433 4.120 0.000 0.000 0.276 9 V C 0.019 176.083 176.094 -0.050 0.000 1.028 9 V CA -0.543 61.736 62.300 -0.035 0.000 0.860 9 V CB 1.659 33.463 31.823 -0.031 0.000 0.990 9 V HN 0.601 nan 8.190 nan 0.000 0.453 10 V N 4.588 124.488 119.914 -0.024 0.000 2.368 10 V HA 0.825 4.945 4.120 0.000 0.000 0.266 10 V C 0.677 176.771 176.094 -0.000 0.000 1.045 10 V CA 0.372 62.659 62.300 -0.021 0.000 0.899 10 V CB 0.469 32.299 31.823 0.012 0.000 1.006 10 V HN 1.259 nan 8.190 nan 0.000 0.470 11 G N 3.571 112.357 108.800 -0.023 0.000 3.226 11 G HA2 0.209 4.169 3.960 0.000 0.000 0.685 11 G HA3 0.209 4.169 3.960 0.000 0.000 0.685 11 G C 0.050 174.944 174.900 -0.009 0.000 1.207 11 G CA -0.505 44.593 45.100 -0.003 0.000 0.877 11 G HN 1.200 nan 8.290 nan 0.000 0.585 12 G N 0.758 109.551 108.800 -0.012 0.000 3.959 12 G HA2 0.678 4.638 3.960 0.000 0.000 0.298 12 G HA3 0.678 4.638 3.960 0.000 0.000 0.298 12 G C 0.896 175.806 174.900 0.016 0.000 1.211 12 G CA 0.931 46.026 45.100 -0.008 0.000 1.001 12 G HN 1.291 nan 8.290 nan 0.000 0.561 13 G N -0.114 108.707 108.800 0.035 0.000 2.553 13 G HA2 0.332 4.292 3.960 0.000 0.000 0.278 13 G HA3 0.332 4.292 3.960 0.000 0.000 0.278 13 G C 1.215 176.137 174.900 0.036 0.000 1.349 13 G CA -0.726 44.404 45.100 0.050 0.000 1.037 13 G HN 0.143 nan 8.290 nan 0.000 0.508 14 I N -0.557 120.037 120.570 0.040 0.000 2.163 14 I HA -0.228 3.942 4.170 0.000 0.000 0.243 14 I C 3.060 179.197 176.117 0.033 0.000 1.085 14 I CA 1.676 62.992 61.300 0.028 0.000 1.347 14 I CB -0.234 37.786 38.000 0.034 0.000 1.044 14 I HN 0.494 nan 8.210 nan 0.000 0.408 15 S N 0.614 116.347 115.700 0.054 0.000 2.365 15 S HA -0.188 4.282 4.470 0.000 0.000 0.225 15 S C 2.039 176.662 174.600 0.038 0.000 1.039 15 S CA 1.919 60.154 58.200 0.059 0.000 1.033 15 S CB -0.606 62.648 63.200 0.090 0.000 0.887 15 S HN 0.606 nan 8.310 nan 0.000 0.447 16 G N 0.723 109.543 108.800 0.033 0.000 2.421 16 G HA2 -0.079 3.881 3.960 0.000 0.000 0.217 16 G HA3 -0.079 3.881 3.960 0.000 0.000 0.217 16 G C 1.427 176.325 174.900 -0.004 0.000 1.143 16 G CA 0.626 45.734 45.100 0.014 0.000 0.784 16 G HN 0.384 nan 8.290 nan 0.000 0.541 17 M N 1.307 120.904 119.600 -0.005 0.000 2.132 17 M HA 0.108 4.588 4.480 0.000 0.000 0.263 17 M C 2.974 179.262 176.300 -0.019 0.000 1.065 17 M CA 1.222 56.510 55.300 -0.020 0.000 1.122 17 M CB -1.211 31.376 32.600 -0.022 0.000 1.365 17 M HN 0.300 nan 8.290 nan 0.000 0.411 18 A N 0.187 123.001 122.820 -0.009 0.000 1.930 18 A HA 0.045 4.365 4.320 0.000 0.000 0.217 18 A C 2.444 180.022 177.584 -0.010 0.000 1.175 18 A CA 1.943 53.975 52.037 -0.008 0.000 0.627 18 A CB -0.832 18.169 19.000 0.001 0.000 0.815 18 A HN 0.458 nan 8.150 nan 0.000 0.443 19 A N 0.094 122.908 122.820 -0.010 0.000 1.845 19 A HA 0.141 4.461 4.320 0.000 0.000 0.215 19 A C 2.560 180.134 177.584 -0.017 0.000 1.195 19 A CA 2.282 54.306 52.037 -0.020 0.000 0.616 19 A CB -1.244 17.745 19.000 -0.017 0.000 0.832 19 A HN 1.093 nan 8.150 nan 0.000 0.443 20 A N -0.049 122.762 122.820 -0.014 0.000 1.873 20 A HA -0.251 4.069 4.320 0.000 0.000 0.218 20 A C 2.163 179.756 177.584 0.016 0.000 1.193 20 A CA 2.393 54.425 52.037 -0.009 0.000 0.629 20 A CB -0.612 18.370 19.000 -0.030 0.000 0.826 20 A HN 0.611 nan 8.150 nan 0.000 0.447 21 K N -0.492 119.910 120.400 0.003 0.000 2.032 21 K HA -0.142 4.178 4.320 0.000 0.000 0.209 21 K C 2.025 178.659 176.600 0.055 0.000 1.048 21 K CA 1.724 58.029 56.287 0.030 0.000 0.927 21 K CB -0.346 32.155 32.500 0.002 0.000 0.712 21 K HN 0.467 nan 8.250 nan 0.000 0.441 22 L N 1.068 122.302 121.223 0.017 0.000 2.046 22 L HA -0.165 4.175 4.340 0.000 0.000 0.208 22 L C 2.239 179.110 176.870 0.002 0.000 1.077 22 L CA 1.091 55.933 54.840 0.002 0.000 0.747 22 L CB -0.179 41.867 42.059 -0.022 0.000 0.896 22 L HN 0.284 nan 8.230 nan 0.000 0.432 23 L N -0.746 120.478 121.223 0.002 0.000 2.012 23 L HA -0.314 4.026 4.340 0.000 0.000 0.210 23 L C 2.623 179.511 176.870 0.031 0.000 1.073 23 L CA 1.842 56.681 54.840 -0.001 0.000 0.748 23 L CB -0.841 41.215 42.059 -0.006 0.000 0.891 23 L HN 0.449 nan 8.230 nan 0.000 0.431 24 H N -0.018 119.034 119.070 -0.029 0.000 2.357 24 H HA -0.153 4.403 4.556 0.000 0.000 0.301 24 H C 1.681 176.997 175.328 -0.020 0.000 1.082 24 H CA 1.715 57.750 56.048 -0.021 0.000 1.342 24 H CB 0.055 29.805 29.762 -0.020 0.000 1.389 24 H HN 0.226 nan 8.280 nan 0.000 0.511 25 D N -0.565 119.833 120.400 -0.002 0.000 2.350 25 D HA -0.100 4.540 4.640 0.000 0.000 0.216 25 D C 1.641 177.891 176.300 -0.083 0.000 0.968 25 D CA 1.213 55.176 54.000 -0.060 0.000 0.894 25 D CB -0.197 40.606 40.800 0.007 0.000 0.909 25 D HN 0.541 nan 8.370 nan 0.000 0.520 26 S N -1.655 114.001 115.700 -0.074 0.000 2.557 26 S HA 0.404 4.874 4.470 0.000 0.000 0.223 26 S C 1.604 176.159 174.600 -0.075 0.000 0.969 26 S CA 0.337 58.498 58.200 -0.064 0.000 0.927 26 S CB 0.723 63.893 63.200 -0.049 0.000 0.806 26 S HN 0.242 nan 8.310 nan 0.000 0.489 27 G N 1.062 109.794 108.800 -0.114 0.000 2.213 27 G HA2 -0.193 3.767 3.960 0.000 0.000 0.236 27 G HA3 -0.193 3.767 3.960 0.000 0.000 0.236 27 G C -0.023 174.834 174.900 -0.072 0.000 0.991 27 G CA 0.004 45.042 45.100 -0.104 0.000 0.629 27 G HN 0.499 nan 8.290 nan 0.000 0.517 28 L N 0.875 122.069 121.223 -0.049 0.000 2.417 28 L HA 0.328 4.668 4.340 0.000 0.000 0.268 28 L C 0.591 177.472 176.870 0.019 0.000 1.158 28 L CA -0.666 54.168 54.840 -0.010 0.000 0.819 28 L CB 0.615 42.673 42.059 -0.001 0.000 1.112 28 L HN 0.176 nan 8.230 nan 0.000 0.458 29 N N 2.541 121.263 118.700 0.036 0.000 2.402 29 N HA 0.266 5.006 4.740 0.000 0.000 0.252 29 N C -0.861 174.687 175.510 0.064 0.000 1.118 29 N CA -0.316 52.770 53.050 0.061 0.000 0.945 29 N CB 0.727 39.244 38.487 0.051 0.000 1.147 29 N HN 0.407 nan 8.380 nan 0.000 0.495 30 V N 1.459 121.418 119.914 0.076 0.000 2.667 30 V HA 0.767 4.887 4.120 0.000 0.000 0.308 30 V C -0.252 175.850 176.094 0.013 0.000 1.048 30 V CA -0.782 61.543 62.300 0.042 0.000 0.928 30 V CB 1.710 33.556 31.823 0.038 0.000 1.004 30 V HN 0.169 nan 8.190 nan 0.000 0.444 31 V N 3.912 123.813 119.914 -0.022 0.000 2.588 31 V HA 0.533 4.653 4.120 0.000 0.000 0.304 31 V C -0.305 175.718 176.094 -0.117 0.000 1.042 31 V CA -0.501 61.751 62.300 -0.080 0.000 0.877 31 V CB 2.094 33.848 31.823 -0.115 0.000 0.996 31 V HN 0.854 nan 8.190 nan 0.000 0.425 32 V N 6.239 126.079 119.914 -0.123 0.000 2.394 32 V HA 0.496 4.616 4.120 0.000 0.000 0.282 32 V C -0.260 175.733 176.094 -0.168 0.000 1.031 32 V CA -0.499 61.728 62.300 -0.121 0.000 0.881 32 V CB 1.477 33.250 31.823 -0.083 0.000 0.982 32 V HN 0.617 nan 8.190 nan 0.000 0.451 33 L N 4.435 125.548 121.223 -0.183 0.000 2.298 33 L HA 0.685 5.025 4.340 0.000 0.000 0.284 33 L C -0.312 176.476 176.870 -0.136 0.000 1.013 33 L CA -0.384 54.335 54.840 -0.201 0.000 0.824 33 L CB 1.619 43.522 42.059 -0.259 0.000 1.221 33 L HN 0.678 nan 8.230 nan 0.000 0.418 34 E N 2.301 122.425 120.200 -0.128 0.000 2.199 34 E HA 0.532 4.882 4.350 0.000 0.000 0.265 34 E C 0.262 176.754 176.600 -0.180 0.000 0.882 34 E CA -0.320 56.003 56.400 -0.127 0.000 0.759 34 E CB 2.094 31.742 29.700 -0.087 0.000 1.148 34 E HN 0.559 nan 8.360 nan 0.000 0.412 35 A N 5.189 127.828 122.820 -0.300 0.000 1.908 35 A HA -0.061 4.259 4.320 0.000 0.000 0.218 35 A C 1.114 178.469 177.584 -0.381 0.000 1.181 35 A CA 1.117 52.827 52.037 -0.545 0.000 0.627 35 A CB -0.224 17.997 19.000 -1.298 0.000 0.818 35 A HN 0.603 nan 8.150 nan 0.000 0.445 36 R N -0.391 119.969 120.500 -0.233 0.000 2.546 36 R HA 0.268 4.608 4.340 0.000 0.000 0.266 36 R C 0.150 176.416 176.300 -0.057 0.000 1.086 36 R CA 0.143 56.188 56.100 -0.092 0.000 1.160 36 R CB 0.259 30.543 30.300 -0.028 0.000 1.138 36 R HN 0.460 nan 8.270 nan 0.000 0.567 37 D N 0.343 120.727 120.400 -0.028 0.000 2.319 37 D HA -0.026 4.614 4.640 0.000 0.000 0.230 37 D C -0.273 176.025 176.300 -0.004 0.000 1.094 37 D CA 0.045 54.037 54.000 -0.015 0.000 0.856 37 D CB 0.010 40.807 40.800 -0.004 0.000 0.915 37 D HN 0.405 nan 8.370 nan 0.000 0.517 38 R N -1.220 119.278 120.500 -0.004 0.000 2.764 38 R HA 0.611 4.951 4.340 0.000 0.000 0.270 38 R C -0.389 175.924 176.300 0.021 0.000 1.014 38 R CA -1.153 54.960 56.100 0.022 0.000 0.904 38 R CB 1.208 31.538 30.300 0.050 0.000 1.236 38 R HN -0.101 nan 8.270 nan 0.000 0.466 39 V N -1.503 118.431 119.914 0.033 0.000 3.403 39 V HA 0.823 4.943 4.120 0.000 0.000 0.305 39 V C 1.025 177.166 176.094 0.078 0.000 1.060 39 V CA 0.414 62.735 62.300 0.035 0.000 1.053 39 V CB 0.689 32.519 31.823 0.012 0.000 1.198 39 V HN 1.174 nan 8.190 nan 0.000 0.447 40 G N -1.219 107.626 108.800 0.075 0.000 2.307 40 G HA2 0.126 4.086 3.960 0.000 0.000 0.210 40 G HA3 0.126 4.086 3.960 0.000 0.000 0.210 40 G C 1.619 176.596 174.900 0.129 0.000 1.005 40 G CA 0.710 45.875 45.100 0.108 0.000 0.634 40 G HN 2.633 nan 8.290 nan 0.000 0.496 41 G N 0.543 109.427 108.800 0.139 0.000 2.629 41 G HA2 -0.401 3.559 3.960 0.000 0.000 0.313 41 G HA3 -0.401 3.559 3.960 0.000 0.000 0.313 41 G C 0.934 175.962 174.900 0.213 0.000 1.217 41 G CA 1.481 46.677 45.100 0.160 0.000 0.994 41 G HN 1.192 nan 8.290 nan 0.000 0.549 42 R N 1.720 122.255 120.500 0.058 0.000 2.339 42 R HA 0.193 4.533 4.340 0.000 0.000 0.199 42 R C 1.170 177.349 176.300 -0.201 0.000 1.018 42 R CA 1.079 57.028 56.100 -0.252 0.000 1.036 42 R CB -0.258 29.867 30.300 -0.291 0.000 0.899 42 R HN 0.715 nan 8.270 nan 0.000 0.473 43 T N -2.260 112.328 114.554 0.055 0.000 2.875 43 T HA 0.342 4.692 4.350 0.000 0.000 0.284 43 T C -0.888 174.026 174.700 0.358 0.000 0.995 43 T CA -0.600 61.589 62.100 0.148 0.000 1.060 43 T CB 1.509 70.437 68.868 0.099 0.000 0.967 43 T HN 0.103 nan 8.240 nan 0.000 0.476 44 Y N 1.139 121.579 120.300 0.235 0.000 2.313 44 Y HA 0.418 4.968 4.550 0.000 0.000 0.320 44 Y C -1.246 174.771 175.900 0.195 0.000 1.171 44 Y CA -0.898 57.350 58.100 0.247 0.000 1.093 44 Y CB 1.527 40.209 38.460 0.370 0.000 1.224 44 Y HN 0.871 nan 8.280 nan 0.000 0.421 45 T N 7.869 122.262 114.554 -0.269 0.000 2.770 45 T HA 0.399 4.749 4.350 0.000 0.000 0.297 45 T C -0.817 173.571 174.700 -0.521 0.000 0.997 45 T CA -0.394 61.540 62.100 -0.276 0.000 0.949 45 T CB 0.495 69.312 68.868 -0.085 0.000 0.941 45 T HN 0.581 nan 8.240 nan 0.000 0.457 46 L N 4.686 125.599 121.223 -0.517 0.000 2.349 46 L HA 0.582 4.922 4.340 0.000 0.000 0.275 46 L C -0.195 176.609 176.870 -0.110 0.000 1.115 46 L CA 0.013 54.641 54.840 -0.352 0.000 0.820 46 L CB 0.404 42.329 42.059 -0.222 0.000 1.135 46 L HN 0.489 nan 8.230 nan 0.000 0.445 47 R N 3.641 124.104 120.500 -0.061 0.000 2.480 47 R HA 0.603 4.943 4.340 0.000 0.000 0.306 47 R C -1.121 175.162 176.300 -0.028 0.000 0.958 47 R CA -0.576 55.511 56.100 -0.022 0.000 0.861 47 R CB 1.278 31.579 30.300 0.001 0.000 1.171 47 R HN 0.877 nan 8.270 nan 0.000 0.445 48 N N -0.498 118.168 118.700 -0.056 0.000 2.934 48 N HA 0.099 4.839 4.740 0.000 0.000 0.253 48 N C 0.024 175.478 175.510 -0.093 0.000 1.466 48 N CA -0.896 52.117 53.050 -0.062 0.000 0.858 48 N CB 0.670 39.118 38.487 -0.065 0.000 1.459 48 N HN 0.117 nan 8.380 nan 0.000 0.532 49 Q N -0.141 119.613 119.800 -0.077 0.000 2.181 49 Q HA -0.019 4.321 4.340 0.000 0.000 0.205 49 Q C 0.689 176.651 176.000 -0.063 0.000 0.980 49 Q CA 1.349 57.120 55.803 -0.052 0.000 0.862 49 Q CB -0.140 28.575 28.738 -0.038 0.000 0.905 49 Q HN 0.543 nan 8.270 nan 0.000 0.429 50 K N 0.251 120.524 120.400 -0.213 0.000 2.228 50 K HA -0.023 4.297 4.320 0.000 0.000 0.202 50 K C 1.977 178.375 176.600 -0.336 0.000 1.051 50 K CA 0.916 56.987 56.287 -0.360 0.000 0.960 50 K CB 0.250 32.237 32.500 -0.854 0.000 0.743 50 K HN 0.277 nan 8.250 nan 0.000 0.458 51 V N -3.003 116.689 119.914 -0.370 0.000 3.635 51 V HA 0.232 4.352 4.120 0.000 0.000 0.266 51 V C 1.429 177.127 176.094 -0.660 0.000 1.316 51 V CA 0.761 62.798 62.300 -0.438 0.000 1.060 51 V CB 0.244 31.863 31.823 -0.340 0.000 0.820 51 V HN 0.252 nan 8.190 nan 0.000 0.447 52 K N 0.435 120.501 120.400 -0.557 0.000 9.188 52 K HA -0.299 4.021 4.320 0.000 0.000 0.503 52 K C 0.134 176.632 176.600 -0.170 0.000 0.367 52 K CA 2.434 58.444 56.287 -0.463 0.000 1.958 52 K CB -1.468 30.540 32.500 -0.821 0.000 0.698 52 K HN 0.995 nan 8.250 nan 0.000 1.029 53 Y N -2.286 117.871 120.300 -0.238 0.000 2.581 53 Y HA 0.713 5.263 4.550 0.000 0.000 0.337 53 Y C -1.294 174.563 175.900 -0.071 0.000 1.108 53 Y CA -0.666 57.355 58.100 -0.133 0.000 1.033 53 Y CB 1.882 40.283 38.460 -0.099 0.000 1.318 53 Y HN 0.046 nan 8.280 nan 0.000 0.459 54 V N 1.938 121.935 119.914 0.139 0.000 2.924 54 V HA 0.356 4.476 4.120 0.000 0.000 0.300 54 V C -1.655 174.502 176.094 0.104 0.000 1.227 54 V CA -0.657 61.723 62.300 0.134 0.000 0.954 54 V CB 2.043 33.952 31.823 0.144 0.000 1.055 54 V HN 0.920 nan 8.190 nan 0.000 0.429 55 D N 5.439 125.916 120.400 0.127 0.000 2.338 55 D HA 0.275 4.915 4.640 0.000 0.000 0.255 55 D C 0.936 177.320 176.300 0.140 0.000 1.237 55 D CA 0.256 54.313 54.000 0.094 0.000 0.883 55 D CB 1.709 42.543 40.800 0.057 0.000 1.087 55 D HN 0.529 nan 8.370 nan 0.000 0.485 56 L N 1.572 122.914 121.223 0.198 0.000 2.477 56 L HA 0.171 4.511 4.340 0.000 0.000 0.220 56 L C 1.602 178.887 176.870 0.692 0.000 1.106 56 L CA 0.182 55.247 54.840 0.376 0.000 0.851 56 L CB 0.247 42.516 42.059 0.350 0.000 0.994 56 L HN 0.330 nan 8.230 nan 0.000 0.462 57 G N -0.811 108.328 108.800 0.566 0.000 3.247 57 G HA2 0.418 4.378 3.960 0.000 0.000 0.163 57 G HA3 0.418 4.378 3.960 0.000 0.000 0.163 57 G C -0.117 174.829 174.900 0.076 0.000 1.206 57 G CA 0.032 45.278 45.100 0.243 0.000 0.918 57 G HN 0.113 nan 8.290 nan 0.000 0.625 58 G N -0.790 107.978 108.800 -0.053 0.000 2.432 58 G HA2 0.387 4.347 3.960 0.000 0.000 0.239 58 G HA3 0.387 4.347 3.960 0.000 0.000 0.239 58 G C 0.389 175.270 174.900 -0.032 0.000 1.291 58 G CA 0.887 45.957 45.100 -0.050 0.000 0.863 58 G HN 0.703 nan 8.290 nan 0.000 0.560 59 S N 0.719 116.342 115.700 -0.128 0.000 3.552 59 S HA 0.193 4.663 4.470 0.000 0.000 0.251 59 S C -0.037 174.299 174.600 -0.441 0.000 1.119 59 S CA -0.317 57.690 58.200 -0.323 0.000 0.830 59 S CB -0.144 62.675 63.200 -0.635 0.000 0.946 59 S HN 0.482 nan 8.310 nan 0.000 0.470 60 Y N 2.984 123.246 120.300 -0.065 0.000 2.359 60 Y HA 0.505 5.055 4.550 0.000 0.000 0.330 60 Y C 0.275 176.051 175.900 -0.208 0.000 1.143 60 Y CA -0.457 57.556 58.100 -0.145 0.000 1.318 60 Y CB 0.872 39.287 38.460 -0.074 0.000 1.234 60 Y HN 0.114 nan 8.280 nan 0.000 0.522 61 V N -0.146 119.647 119.914 -0.202 0.000 3.040 61 V HA 1.101 5.221 4.120 0.000 0.000 0.312 61 V C -0.260 175.655 176.094 -0.298 0.000 1.115 61 V CA -0.546 61.566 62.300 -0.313 0.000 0.998 61 V CB 1.674 33.225 31.823 -0.454 0.000 1.042 61 V HN 0.943 nan 8.190 nan 0.000 0.433 62 G N 0.777 109.354 108.800 -0.371 0.000 2.645 62 G HA2 0.743 4.703 3.960 0.000 0.000 0.292 62 G HA3 0.743 4.703 3.960 0.000 0.000 0.292 62 G C -3.369 171.369 174.900 -0.269 0.000 1.415 62 G CA -1.258 43.672 45.100 -0.283 0.000 0.785 62 G HN 0.740 nan 8.290 nan 0.000 0.483 63 P HA 0.099 nan 4.420 nan 0.000 0.265 63 P C 0.728 178.011 177.300 -0.027 0.000 1.187 63 P CA 1.978 65.035 63.100 -0.072 0.000 0.766 63 P CB 1.073 32.760 31.700 -0.022 0.000 0.820 64 T N -1.356 113.212 114.554 0.024 0.000 7.058 64 T HA -0.240 4.110 4.350 0.000 0.000 0.289 64 T C 0.281 175.016 174.700 0.058 0.000 2.142 64 T CA 0.985 63.179 62.100 0.157 0.000 3.531 64 T CB -2.619 66.471 68.868 0.370 0.000 1.423 64 T HN 0.575 nan 8.240 nan 0.000 1.040 65 Q N 1.403 121.050 119.800 -0.255 0.000 3.207 65 Q HA 0.389 4.729 4.340 0.000 0.000 0.335 65 Q C 0.921 176.816 176.000 -0.175 0.000 1.374 65 Q CA -0.472 55.063 55.803 -0.446 0.000 1.023 65 Q CB 0.227 28.495 28.738 -0.784 0.000 1.576 65 Q HN 0.480 nan 8.270 nan 0.000 0.515 66 N N 0.747 119.423 118.700 -0.041 0.000 2.354 66 N HA -0.065 4.675 4.740 0.000 0.000 0.179 66 N C 1.201 176.720 175.510 0.015 0.000 1.021 66 N CA 0.804 53.857 53.050 0.005 0.000 0.887 66 N CB 0.280 38.799 38.487 0.052 0.000 0.974 66 N HN 0.380 nan 8.380 nan 0.000 0.437 67 R N 0.486 120.999 120.500 0.021 0.000 2.062 67 R HA 0.025 4.365 4.340 0.000 0.000 0.229 67 R C 2.083 178.396 176.300 0.022 0.000 1.128 67 R CA 0.732 56.850 56.100 0.031 0.000 0.960 67 R CB -0.393 29.938 30.300 0.051 0.000 0.855 67 R HN 0.106 nan 8.270 nan 0.000 0.432 68 I N 1.288 121.866 120.570 0.012 0.000 2.315 68 I HA -0.205 3.965 4.170 0.000 0.000 0.248 68 I C 1.857 178.034 176.117 0.100 0.000 1.117 68 I CA 1.354 62.683 61.300 0.048 0.000 1.404 68 I CB -0.001 38.036 38.000 0.062 0.000 1.071 68 I HN 0.078 nan 8.210 nan 0.000 0.419 69 L N 0.287 121.555 121.223 0.074 0.000 2.046 69 L HA -0.188 4.152 4.340 0.000 0.000 0.208 69 L C 2.734 179.646 176.870 0.070 0.000 1.077 69 L CA 1.377 56.277 54.840 0.101 0.000 0.747 69 L CB -0.929 41.147 42.059 0.028 0.000 0.896 69 L HN 0.266 nan 8.230 nan 0.000 0.432 70 R N 0.695 121.217 120.500 0.037 0.000 2.073 70 R HA -0.148 4.192 4.340 0.000 0.000 0.229 70 R C 2.258 178.564 176.300 0.009 0.000 1.120 70 R CA 1.477 57.591 56.100 0.023 0.000 0.967 70 R CB -0.524 29.789 30.300 0.020 0.000 0.862 70 R HN 0.263 nan 8.270 nan 0.000 0.436 71 L N 1.129 122.353 121.223 0.002 0.000 2.027 71 L HA -0.001 4.339 4.340 0.000 0.000 0.206 71 L C 2.372 179.206 176.870 -0.061 0.000 1.074 71 L CA 2.238 57.063 54.840 -0.024 0.000 0.745 71 L CB -0.874 41.169 42.059 -0.026 0.000 0.898 71 L HN 0.210 nan 8.230 nan 0.000 0.433 72 A N -0.564 122.209 122.820 -0.078 0.000 1.898 72 A HA -0.247 4.073 4.320 0.000 0.000 0.216 72 A C 2.458 179.987 177.584 -0.091 0.000 1.181 72 A CA 1.883 53.804 52.037 -0.193 0.000 0.620 72 A CB -0.658 18.134 19.000 -0.346 0.000 0.819 72 A HN 0.497 nan 8.150 nan 0.000 0.442 73 K N -0.151 120.247 120.400 -0.003 0.000 2.063 73 K HA -0.236 4.084 4.320 0.000 0.000 0.208 73 K C 2.047 178.640 176.600 -0.011 0.000 1.048 73 K CA 1.854 58.149 56.287 0.013 0.000 0.928 73 K CB -0.183 32.336 32.500 0.030 0.000 0.713 73 K HN 0.647 nan 8.250 nan 0.000 0.442 74 E N 0.467 120.656 120.200 -0.018 0.000 2.204 74 E HA -0.146 4.204 4.350 0.000 0.000 0.194 74 E C 1.642 178.224 176.600 -0.031 0.000 0.989 74 E CA 0.589 56.978 56.400 -0.018 0.000 0.824 74 E CB 0.039 29.730 29.700 -0.014 0.000 0.756 74 E HN 0.372 nan 8.360 nan 0.000 0.477 75 L N -0.480 120.710 121.223 -0.054 0.000 2.599 75 L HA 0.186 4.526 4.340 0.000 0.000 0.230 75 L C 1.367 178.199 176.870 -0.063 0.000 1.141 75 L CA 0.485 55.284 54.840 -0.068 0.000 0.877 75 L CB 0.195 42.190 42.059 -0.106 0.000 1.009 75 L HN 0.396 nan 8.230 nan 0.000 0.447 76 G N 0.182 108.954 108.800 -0.047 0.000 2.131 76 G HA2 -0.223 3.737 3.960 0.000 0.000 0.223 76 G HA3 -0.223 3.737 3.960 0.000 0.000 0.223 76 G C 0.061 174.940 174.900 -0.035 0.000 0.990 76 G CA -0.340 44.740 45.100 -0.033 0.000 0.671 76 G HN 0.182 nan 8.290 nan 0.000 0.521 77 L N -0.359 120.834 121.223 -0.050 0.000 2.416 77 L HA 0.782 5.122 4.340 0.000 0.000 0.262 77 L C 0.622 177.537 176.870 0.076 0.000 1.093 77 L CA -0.749 54.073 54.840 -0.030 0.000 0.801 77 L CB 1.252 43.203 42.059 -0.180 0.000 1.191 77 L HN 0.179 nan 8.230 nan 0.000 0.459 78 E N -0.418 119.869 120.200 0.145 0.000 2.312 78 E HA 0.433 4.783 4.350 0.000 0.000 0.267 78 E C -1.113 175.637 176.600 0.250 0.000 0.894 78 E CA -0.651 55.851 56.400 0.170 0.000 0.773 78 E CB 2.559 32.330 29.700 0.118 0.000 1.241 78 E HN 0.655 nan 8.360 nan 0.000 0.432 79 T N -1.002 113.639 114.554 0.146 0.000 2.918 79 T HA 0.630 4.980 4.350 0.000 0.000 0.286 79 T C -0.787 173.971 174.700 0.096 0.000 1.026 79 T CA -0.705 61.401 62.100 0.011 0.000 1.031 79 T CB 0.640 69.412 68.868 -0.161 0.000 1.046 79 T HN 0.492 nan 8.240 nan 0.000 0.479 80 Y N -0.816 119.471 120.300 -0.022 0.000 2.605 80 Y HA 0.744 5.294 4.550 0.000 0.000 0.343 80 Y C -0.610 175.285 175.900 -0.008 0.000 1.036 80 Y CA -1.573 56.529 58.100 0.003 0.000 1.065 80 Y CB 1.441 39.924 38.460 0.038 0.000 1.288 80 Y HN 0.604 nan 8.280 nan 0.000 0.481 81 K N 2.283 122.736 120.400 0.088 0.000 2.297 81 K HA 0.400 4.720 4.320 0.000 0.000 0.286 81 K C -0.790 175.850 176.600 0.066 0.000 1.053 81 K CA -0.726 55.563 56.287 0.004 0.000 0.940 81 K CB 1.481 34.007 32.500 0.043 0.000 1.019 81 K HN 0.586 nan 8.250 nan 0.000 0.475 82 V N 3.271 123.172 119.914 -0.022 0.000 2.720 82 V HA -0.139 3.981 4.120 0.000 0.000 0.307 82 V C 0.650 176.791 176.094 0.077 0.000 1.071 82 V CA -0.045 62.296 62.300 0.067 0.000 1.199 82 V CB 0.028 31.877 31.823 0.042 0.000 0.900 82 V HN 0.742 nan 8.190 nan 0.000 0.494 83 N N 3.831 122.597 118.700 0.110 0.000 2.434 83 N HA 0.002 4.742 4.740 0.000 0.000 0.268 83 N C 0.272 175.802 175.510 0.033 0.000 1.256 83 N CA 0.505 53.605 53.050 0.085 0.000 0.914 83 N CB 0.265 38.824 38.487 0.120 0.000 1.088 83 N HN 0.853 nan 8.380 nan 0.000 0.478 84 E N 2.976 123.185 120.200 0.015 0.000 3.191 84 E HA 0.126 4.476 4.350 0.000 0.000 0.192 84 E C 0.214 176.806 176.600 -0.012 0.000 0.972 84 E CA -0.093 56.296 56.400 -0.018 0.000 1.266 84 E CB 0.167 29.843 29.700 -0.040 0.000 1.076 84 E HN 0.432 nan 8.360 nan 0.000 0.462 85 V N 0.504 120.422 119.914 0.007 0.000 2.307 85 V HA -0.142 3.978 4.120 0.000 0.000 0.245 85 V C 0.962 177.055 176.094 -0.001 0.000 1.045 85 V CA 1.588 63.890 62.300 0.003 0.000 1.024 85 V CB -0.160 31.668 31.823 0.008 0.000 0.651 85 V HN 0.273 nan 8.190 nan 0.000 0.449 86 E N -0.581 119.625 120.200 0.010 0.000 3.601 86 E HA 0.366 4.716 4.350 0.000 0.000 0.273 86 E C 0.288 176.889 176.600 0.000 0.000 1.368 86 E CA -0.595 55.813 56.400 0.014 0.000 1.286 86 E CB 0.173 29.896 29.700 0.037 0.000 1.383 86 E HN 0.296 nan 8.360 nan 0.000 0.746 87 R N 0.195 120.716 120.500 0.036 0.000 2.490 87 R HA 0.259 4.599 4.340 0.000 0.000 0.280 87 R C -0.493 175.761 176.300 -0.075 0.000 1.077 87 R CA -0.566 55.534 56.100 0.001 0.000 1.065 87 R CB 0.136 30.502 30.300 0.110 0.000 1.003 87 R HN 0.153 nan 8.270 nan 0.000 0.470 88 L N 2.701 123.699 121.223 -0.375 0.000 2.456 88 L HA 0.404 4.744 4.340 0.000 0.000 0.257 88 L C 0.245 176.933 176.870 -0.304 0.000 1.162 88 L CA 0.104 54.636 54.840 -0.514 0.000 0.808 88 L CB 0.398 41.819 42.059 -1.063 0.000 1.136 88 L HN 0.483 nan 8.230 nan 0.000 0.466 89 I N 0.190 120.728 120.570 -0.054 0.000 2.498 89 I HA 0.260 4.430 4.170 0.000 0.000 0.290 89 I C -0.667 175.754 176.117 0.508 0.000 1.032 89 I CA -0.494 60.917 61.300 0.185 0.000 1.073 89 I CB 1.666 39.604 38.000 -0.105 0.000 1.251 89 I HN 0.553 nan 8.210 nan 0.000 0.426 90 H N 5.702 125.092 119.070 0.533 0.000 2.581 90 H HA 0.311 4.867 4.556 0.000 0.000 0.308 90 H C -1.327 174.242 175.328 0.403 0.000 1.040 90 H CA -0.674 55.632 56.048 0.431 0.000 1.231 90 H CB 0.847 30.776 29.762 0.279 0.000 1.396 90 H HN 0.636 nan 8.280 nan 0.000 0.467 91 H N 4.612 123.779 119.070 0.161 0.000 2.556 91 H HA 0.406 4.962 4.556 0.000 0.000 0.310 91 H C -1.437 173.859 175.328 -0.054 0.000 1.057 91 H CA -0.459 55.621 56.048 0.053 0.000 1.264 91 H CB 0.890 30.693 29.762 0.069 0.000 1.404 91 H HN 0.352 nan 8.280 nan 0.000 0.462 92 V N 5.977 125.718 119.914 -0.289 0.000 2.808 92 V HA 0.280 4.400 4.120 0.000 0.000 0.308 92 V C -0.900 175.113 176.094 -0.135 0.000 1.099 92 V CA -0.875 61.305 62.300 -0.200 0.000 0.920 92 V CB 1.499 33.137 31.823 -0.308 0.000 1.014 92 V HN 1.032 nan 8.190 nan 0.000 0.425 93 K N 4.730 125.086 120.400 -0.073 0.000 3.096 93 K HA -0.194 4.126 4.320 0.000 0.000 0.266 93 K C 0.907 177.456 176.600 -0.085 0.000 1.043 93 K CA 1.019 57.285 56.287 -0.035 0.000 0.758 93 K CB -1.839 30.665 32.500 0.007 0.000 1.260 93 K HN 2.153 nan 8.250 nan 0.000 0.481 94 G N -0.457 108.238 108.800 -0.174 0.000 2.159 94 G HA2 -0.343 3.617 3.960 0.000 0.000 0.256 94 G HA3 -0.343 3.617 3.960 0.000 0.000 0.256 94 G C -0.077 174.682 174.900 -0.236 0.000 0.977 94 G CA 0.974 46.016 45.100 -0.097 0.000 0.652 94 G HN 0.385 nan 8.290 nan 0.000 0.531 95 K N 0.136 120.223 120.400 -0.521 0.000 2.422 95 K HA 0.636 4.956 4.320 0.000 0.000 0.251 95 K C -0.567 175.707 176.600 -0.544 0.000 0.933 95 K CA -0.553 55.482 56.287 -0.421 0.000 0.798 95 K CB 1.943 34.242 32.500 -0.336 0.000 1.238 95 K HN 0.074 nan 8.250 nan 0.000 0.428 96 S N 1.715 117.250 115.700 -0.275 0.000 2.480 96 S HA 0.394 4.864 4.470 0.000 0.000 0.286 96 S C -1.239 173.185 174.600 -0.292 0.000 1.180 96 S CA -0.545 57.604 58.200 -0.085 0.000 1.075 96 S CB 0.214 63.468 63.200 0.090 0.000 0.996 96 S HN 0.348 nan 8.310 nan 0.000 0.487 97 Y N 2.387 122.788 120.300 0.167 0.000 2.376 97 Y HA 0.366 4.916 4.550 0.000 0.000 0.326 97 Y C -2.488 173.625 175.900 0.355 0.000 0.970 97 Y CA -2.389 55.848 58.100 0.228 0.000 1.248 97 Y CB 0.796 39.382 38.460 0.209 0.000 1.117 97 Y HN 0.452 nan 8.280 nan 0.000 0.476 98 P HA 0.224 nan 4.420 nan 0.000 0.271 98 P C -0.857 176.743 177.300 0.500 0.000 1.218 98 P CA 0.108 63.451 63.100 0.406 0.000 0.780 98 P CB 0.566 32.483 31.700 0.361 0.000 0.901 99 F N -0.999 119.077 119.950 0.209 0.000 2.858 99 F HA 0.687 5.214 4.527 0.000 0.000 0.319 99 F C -1.450 174.423 175.800 0.122 0.000 1.166 99 F CA -1.311 56.793 58.000 0.173 0.000 0.899 99 F CB 1.269 40.376 39.000 0.179 0.000 1.332 99 F HN 0.042 nan 8.300 nan 0.000 0.461 100 R N 0.831 121.443 120.500 0.186 0.000 2.807 100 R HA 0.837 5.177 4.340 0.000 0.000 0.276 100 R C -0.293 176.151 176.300 0.240 0.000 0.979 100 R CA -0.515 55.597 56.100 0.019 0.000 0.928 100 R CB 1.860 32.178 30.300 0.030 0.000 1.191 100 R HN 1.522 nan 8.270 nan 0.000 0.471 101 G N 1.379 110.242 108.800 0.105 0.000 2.434 101 G HA2 -0.150 3.810 3.960 0.000 0.000 0.671 101 G HA3 -0.150 3.810 3.960 0.000 0.000 0.671 101 G C -2.066 172.880 174.900 0.077 0.000 1.280 101 G CA -0.774 44.389 45.100 0.106 0.000 0.975 101 G HN 0.457 nan 8.290 nan 0.000 0.510 102 P HA 0.069 nan 4.420 nan 0.000 0.217 102 P C 0.329 177.103 177.300 -0.876 0.000 1.148 102 P CA 1.446 64.269 63.100 -0.462 0.000 0.828 102 P CB -0.034 31.424 31.700 -0.404 0.000 0.783 103 F N -1.045 118.883 119.950 -0.037 0.000 2.601 103 F HA 0.418 4.945 4.527 0.000 0.000 0.309 103 F C -2.347 173.162 175.800 -0.486 0.000 1.089 103 F CA -2.892 54.971 58.000 -0.229 0.000 0.940 103 F CB 1.102 39.889 39.000 -0.355 0.000 1.273 103 F HN -0.340 nan 8.300 nan 0.000 0.450 104 P HA 0.116 nan 4.420 nan 0.000 0.268 104 P C -2.586 174.470 177.300 -0.407 0.000 1.204 104 P CA -0.884 61.503 63.100 -1.189 0.000 0.768 104 P CB -0.072 31.049 31.700 -0.966 0.000 0.842 105 P HA 0.100 nan 4.420 nan 0.000 0.275 105 P C -0.707 176.430 177.300 -0.271 0.000 1.227 105 P CA 0.021 62.988 63.100 -0.221 0.000 0.781 105 P CB 0.646 32.233 31.700 -0.189 0.000 0.906 106 V N 3.763 123.496 119.914 -0.302 0.000 2.384 106 V HA 0.181 4.301 4.120 0.000 0.000 0.287 106 V C 0.624 176.542 176.094 -0.295 0.000 1.020 106 V CA -0.178 61.967 62.300 -0.258 0.000 0.850 106 V CB 1.249 32.883 31.823 -0.315 0.000 0.987 106 V HN 0.680 nan 8.190 nan 0.000 0.436 107 W N 1.319 122.593 121.300 -0.043 0.000 2.526 107 W HA 0.125 4.785 4.660 0.000 0.000 0.294 107 W C 1.477 177.986 176.519 -0.016 0.000 1.181 107 W CA 0.038 57.364 57.345 -0.031 0.000 1.373 107 W CB 0.146 29.587 29.460 -0.032 0.000 1.112 107 W HN 0.523 nan 8.180 nan 0.000 0.545 108 N N 2.020 120.836 118.700 0.193 0.000 2.374 108 N HA -0.061 4.679 4.740 0.000 0.000 0.269 108 N C -1.837 173.743 175.510 0.116 0.000 1.310 108 N CA -0.359 52.767 53.050 0.126 0.000 0.877 108 N CB 1.139 39.675 38.487 0.082 0.000 1.096 108 N HN -0.107 nan 8.380 nan 0.000 0.484 109 P HA -0.094 nan 4.420 nan 0.000 0.218 109 P C 1.557 178.933 177.300 0.127 0.000 1.149 109 P CA 0.650 63.818 63.100 0.114 0.000 0.817 109 P CB 0.336 32.078 31.700 0.069 0.000 0.785 110 I N -0.502 120.119 120.570 0.085 0.000 2.142 110 I HA -0.187 3.983 4.170 0.000 0.000 0.240 110 I C 1.932 178.092 176.117 0.072 0.000 1.078 110 I CA 1.939 63.277 61.300 0.064 0.000 1.343 110 I CB -2.062 35.971 38.000 0.055 0.000 1.046 110 I HN 0.022 nan 8.210 nan 0.000 0.405 111 T N 0.342 114.945 114.554 0.081 0.000 2.803 111 T HA -0.248 4.102 4.350 0.000 0.000 0.269 111 T C 1.830 176.552 174.700 0.038 0.000 1.052 111 T CA 1.441 63.590 62.100 0.081 0.000 1.136 111 T CB -0.572 68.317 68.868 0.034 0.000 0.864 111 T HN 0.375 nan 8.240 nan 0.000 0.467 112 Y N 1.477 121.745 120.300 -0.052 0.000 2.263 112 Y HA 0.043 4.593 4.550 0.000 0.000 0.292 112 Y C 1.931 177.822 175.900 -0.015 0.000 1.130 112 Y CA 0.892 58.946 58.100 -0.077 0.000 1.179 112 Y CB -0.373 38.024 38.460 -0.106 0.000 0.998 112 Y HN 0.109 nan 8.280 nan 0.000 0.532 113 L N -0.034 121.174 121.223 -0.026 0.000 2.083 113 L HA -0.196 4.144 4.340 0.000 0.000 0.209 113 L C 2.101 178.878 176.870 -0.155 0.000 1.083 113 L CA 1.812 56.592 54.840 -0.100 0.000 0.752 113 L CB -0.565 41.480 42.059 -0.022 0.000 0.899 113 L HN 0.242 nan 8.230 nan 0.000 0.433 114 D N -0.876 119.482 120.400 -0.070 0.000 2.091 114 D HA -0.189 4.451 4.640 0.000 0.000 0.199 114 D C 2.190 178.448 176.300 -0.069 0.000 0.980 114 D CA 1.209 55.189 54.000 -0.033 0.000 0.831 114 D CB 0.007 40.840 40.800 0.055 0.000 0.987 114 D HN 0.263 nan 8.370 nan 0.000 0.460 115 H N -0.144 118.805 119.070 -0.201 0.000 2.353 115 H HA -0.148 4.408 4.556 0.000 0.000 0.298 115 H C 2.100 177.297 175.328 -0.218 0.000 1.103 115 H CA 1.350 57.268 56.048 -0.216 0.000 1.293 115 H CB -0.105 29.562 29.762 -0.158 0.000 1.372 115 H HN 0.315 nan 8.280 nan 0.000 0.501 116 N N 0.833 119.383 118.700 -0.251 0.000 2.171 116 N HA -0.151 4.589 4.740 0.000 0.000 0.184 116 N C 1.853 177.256 175.510 -0.179 0.000 1.021 116 N CA 0.510 53.394 53.050 -0.277 0.000 0.854 116 N CB -0.111 38.062 38.487 -0.524 0.000 0.994 116 N HN 0.382 nan 8.380 nan 0.000 0.426 117 N N 0.233 118.822 118.700 -0.185 0.000 2.166 117 N HA -0.192 4.548 4.740 0.000 0.000 0.186 117 N C 1.849 177.243 175.510 -0.193 0.000 1.019 117 N CA 0.773 53.726 53.050 -0.162 0.000 0.856 117 N CB -0.319 38.088 38.487 -0.133 0.000 0.993 117 N HN 0.222 nan 8.380 nan 0.000 0.426 118 F N 0.712 120.438 119.950 -0.374 0.000 2.069 118 F HA -0.136 4.391 4.527 0.000 0.000 0.298 118 F C 1.794 177.271 175.800 -0.538 0.000 1.113 118 F CA 1.714 59.395 58.000 -0.532 0.000 1.214 118 F CB -0.867 37.639 39.000 -0.823 0.000 0.978 118 F HN 0.082 nan 8.300 nan 0.000 0.474 119 W N 0.511 121.478 121.300 -0.554 0.000 2.355 119 W HA -0.100 4.560 4.660 0.000 0.000 0.309 119 W C 2.827 179.042 176.519 -0.508 0.000 1.206 119 W CA 1.389 58.340 57.345 -0.656 0.000 1.284 119 W CB -0.735 28.367 29.460 -0.597 0.000 1.145 119 W HN -0.095 nan 8.180 nan 0.000 0.502 120 R N 0.203 120.604 120.500 -0.165 0.000 2.096 120 R HA -0.186 4.154 4.340 0.000 0.000 0.240 120 R C 1.958 178.123 176.300 -0.226 0.000 1.139 120 R CA 2.453 58.448 56.100 -0.175 0.000 0.952 120 R CB -0.760 29.443 30.300 -0.162 0.000 0.854 120 R HN 0.076 nan 8.270 nan 0.000 0.436 121 T N 1.298 115.677 114.554 -0.293 0.000 2.746 121 T HA -0.135 4.215 4.350 0.000 0.000 0.267 121 T C 1.868 176.364 174.700 -0.340 0.000 1.039 121 T CA 1.417 63.348 62.100 -0.281 0.000 1.142 121 T CB -0.079 68.638 68.868 -0.252 0.000 0.866 121 T HN 0.171 nan 8.240 nan 0.000 0.444 122 M N 1.804 121.106 119.600 -0.496 0.000 2.088 122 M HA -0.145 4.335 4.480 0.000 0.000 0.256 122 M C 1.872 178.018 176.300 -0.257 0.000 1.071 122 M CA 1.650 56.698 55.300 -0.419 0.000 1.097 122 M CB -1.211 31.098 32.600 -0.486 0.000 1.315 122 M HN 0.202 nan 8.290 nan 0.000 0.406 123 D N 0.326 120.600 120.400 -0.210 0.000 2.144 123 D HA -0.120 4.520 4.640 0.000 0.000 0.200 123 D C 1.645 177.867 176.300 -0.131 0.000 0.978 123 D CA 1.016 54.925 54.000 -0.150 0.000 0.833 123 D CB -0.363 40.364 40.800 -0.121 0.000 0.961 123 D HN 0.300 nan 8.370 nan 0.000 0.470 124 D N 0.341 120.658 120.400 -0.137 0.000 2.104 124 D HA -0.120 4.520 4.640 0.000 0.000 0.194 124 D C 2.205 178.477 176.300 -0.047 0.000 0.994 124 D CA 0.828 54.774 54.000 -0.091 0.000 0.830 124 D CB -0.236 40.508 40.800 -0.095 0.000 0.959 124 D HN 0.233 nan 8.370 nan 0.000 0.452 125 M N -0.020 119.511 119.600 -0.115 0.000 2.159 125 M HA -0.046 4.434 4.480 0.000 0.000 0.263 125 M C 2.304 178.619 176.300 0.025 0.000 1.063 125 M CA 1.639 56.870 55.300 -0.114 0.000 1.110 125 M CB -0.380 31.855 32.600 -0.609 0.000 1.374 125 M HN 0.028 nan 8.290 nan 0.000 0.411 126 G N -0.102 108.654 108.800 -0.072 0.000 2.422 126 G HA2 -0.181 3.779 3.960 0.000 0.000 0.218 126 G HA3 -0.181 3.779 3.960 0.000 0.000 0.218 126 G C 1.621 176.511 174.900 -0.016 0.000 1.140 126 G CA 0.424 45.494 45.100 -0.050 0.000 0.775 126 G HN 0.376 nan 8.290 nan 0.000 0.545 127 R N 0.199 120.685 120.500 -0.024 0.000 2.293 127 R HA -0.009 4.331 4.340 0.000 0.000 0.219 127 R C 1.744 178.051 176.300 0.011 0.000 1.091 127 R CA 0.745 56.830 56.100 -0.025 0.000 1.004 127 R CB 0.086 30.363 30.300 -0.038 0.000 0.865 127 R HN 0.293 nan 8.270 nan 0.000 0.469 128 E N 0.049 120.301 120.200 0.086 0.000 2.478 128 E HA 0.041 4.391 4.350 0.000 0.000 0.194 128 E C 0.186 176.815 176.600 0.048 0.000 1.045 128 E CA 0.441 56.889 56.400 0.081 0.000 0.868 128 E CB 0.406 30.212 29.700 0.177 0.000 0.885 128 E HN 0.335 nan 8.360 nan 0.000 0.505 129 I N 3.167 123.783 120.570 0.076 0.000 2.328 129 I HA 0.192 4.362 4.170 0.000 0.000 0.287 129 I C -2.407 173.704 176.117 -0.008 0.000 1.012 129 I CA -2.314 59.024 61.300 0.062 0.000 1.195 129 I CB 1.393 39.494 38.000 0.169 0.000 1.350 129 I HN -0.342 nan 8.210 nan 0.000 0.464 130 P HA 0.130 nan 4.420 nan 0.000 0.271 130 P C 0.501 177.758 177.300 -0.071 0.000 1.216 130 P CA 0.077 63.100 63.100 -0.128 0.000 0.771 130 P CB 0.918 32.488 31.700 -0.217 0.000 0.864 131 S N 1.912 117.588 115.700 -0.040 0.000 2.383 131 S HA -0.172 4.298 4.470 0.000 0.000 0.229 131 S C 1.193 175.885 174.600 0.154 0.000 1.030 131 S CA 1.897 60.152 58.200 0.092 0.000 1.002 131 S CB -0.629 62.542 63.200 -0.048 0.000 0.829 131 S HN 0.685 nan 8.310 nan 0.000 0.467 132 D N 0.202 120.544 120.400 -0.097 0.000 2.349 132 D HA 0.317 4.957 4.640 0.000 0.000 0.214 132 D C 0.287 176.357 176.300 -0.384 0.000 1.063 132 D CA 0.317 54.218 54.000 -0.165 0.000 0.847 132 D CB 0.105 40.736 40.800 -0.282 0.000 0.933 132 D HN 0.274 nan 8.370 nan 0.000 0.513 133 A N 1.085 123.531 122.820 -0.623 0.000 3.464 133 A HA 0.348 4.668 4.320 0.000 0.000 0.243 133 A C -2.087 174.703 177.584 -1.322 0.000 1.100 133 A CA -0.741 50.447 52.037 -1.414 0.000 0.957 133 A CB 0.745 19.179 19.000 -0.943 0.000 1.340 133 A HN -0.090 nan 8.150 nan 0.000 0.645 134 P HA -0.184 nan 4.420 nan 0.000 0.219 134 P C 1.224 178.336 177.300 -0.313 0.000 1.146 134 P CA 1.519 64.341 63.100 -0.464 0.000 0.808 134 P CB -0.336 31.087 31.700 -0.461 0.000 0.779 135 W N 0.816 122.042 121.300 -0.123 0.000 2.699 135 W HA 0.145 4.805 4.660 0.000 0.000 0.249 135 W C 1.372 177.841 176.519 -0.083 0.000 1.280 135 W CA 0.352 57.643 57.345 -0.091 0.000 1.345 135 W CB -1.412 27.990 29.460 -0.098 0.000 1.128 135 W HN -0.136 nan 8.180 nan 0.000 0.642 136 K N 1.018 121.173 120.400 -0.408 0.000 2.487 136 K HA 0.236 4.556 4.320 0.000 0.000 0.192 136 K C 1.129 177.625 176.600 -0.174 0.000 1.027 136 K CA 0.359 56.513 56.287 -0.222 0.000 1.054 136 K CB -0.243 32.081 32.500 -0.293 0.000 0.824 136 K HN 0.126 nan 8.250 nan 0.000 0.510 137 A N 2.490 125.206 122.820 -0.173 0.000 2.565 137 A HA 0.021 4.341 4.320 0.000 0.000 0.237 137 A C -1.579 175.861 177.584 -0.241 0.000 1.053 137 A CA -0.865 51.059 52.037 -0.189 0.000 0.755 137 A CB 0.028 18.920 19.000 -0.180 0.000 0.980 137 A HN -0.006 nan 8.150 nan 0.000 0.506 138 P HA -0.142 nan 4.420 nan 0.000 0.217 138 P C 0.534 177.626 177.300 -0.346 0.000 1.151 138 P CA 1.272 64.221 63.100 -0.252 0.000 0.849 138 P CB 0.057 31.628 31.700 -0.216 0.000 0.787 139 L N -2.462 118.381 121.223 -0.632 0.000 2.928 139 L HA 0.341 4.681 4.340 0.000 0.000 0.246 139 L C 1.823 178.275 176.870 -0.698 0.000 1.239 139 L CA -0.304 54.075 54.840 -0.768 0.000 1.035 139 L CB -0.422 40.935 42.059 -1.169 0.000 1.360 139 L HN -0.098 nan 8.230 nan 0.000 0.529 140 A N 0.511 123.104 122.820 -0.378 0.000 1.873 140 A HA -0.220 4.100 4.320 0.000 0.000 0.218 140 A C 2.175 179.746 177.584 -0.022 0.000 1.193 140 A CA 1.697 53.657 52.037 -0.129 0.000 0.629 140 A CB -0.177 18.808 19.000 -0.024 0.000 0.826 140 A HN 0.472 nan 8.150 nan 0.000 0.447 141 E N -0.698 119.477 120.200 -0.042 0.000 2.049 141 E HA -0.270 4.080 4.350 0.000 0.000 0.198 141 E C 2.083 178.711 176.600 0.047 0.000 1.007 141 E CA 1.578 57.985 56.400 0.011 0.000 0.809 141 E CB -0.378 29.314 29.700 -0.013 0.000 0.749 141 E HN 0.849 nan 8.360 nan 0.000 0.450 142 E N -0.106 120.091 120.200 -0.003 0.000 2.051 142 E HA -0.181 4.169 4.350 0.000 0.000 0.192 142 E C 1.911 178.684 176.600 0.287 0.000 0.991 142 E CA 1.058 57.511 56.400 0.089 0.000 0.799 142 E CB -0.029 29.686 29.700 0.025 0.000 0.748 142 E HN 0.267 nan 8.360 nan 0.000 0.449 143 W N 1.071 122.414 121.300 0.071 0.000 2.388 143 W HA -0.077 4.583 4.660 0.000 0.000 0.294 143 W C 1.936 178.530 176.519 0.125 0.000 1.212 143 W CA 0.727 58.129 57.345 0.095 0.000 1.271 143 W CB -1.106 28.409 29.460 0.093 0.000 1.126 143 W HN 0.218 nan 8.180 nan 0.000 0.535 144 D N -0.317 120.284 120.400 0.335 0.000 2.224 144 D HA -0.123 4.517 4.640 0.000 0.000 0.205 144 D C 1.293 177.720 176.300 0.212 0.000 0.965 144 D CA 0.920 55.079 54.000 0.266 0.000 0.852 144 D CB -0.240 40.687 40.800 0.213 0.000 0.947 144 D HN -0.089 nan 8.370 nan 0.000 0.494 145 N N -0.082 118.727 118.700 0.182 0.000 2.383 145 N HA 0.080 4.820 4.740 0.000 0.000 0.192 145 N C 0.011 175.602 175.510 0.135 0.000 1.141 145 N CA 0.176 53.310 53.050 0.139 0.000 0.851 145 N CB 0.014 38.564 38.487 0.106 0.000 0.976 145 N HN 0.461 nan 8.380 nan 0.000 0.465 146 M N -1.768 117.929 119.600 0.163 0.000 2.572 146 M HA 0.499 4.980 4.480 0.000 0.000 0.299 146 M C -0.156 176.232 176.300 0.148 0.000 1.205 146 M CA -0.890 54.492 55.300 0.136 0.000 0.876 146 M CB 1.987 34.664 32.600 0.129 0.000 1.728 146 M HN -0.137 nan 8.290 nan 0.000 0.458 147 T N -1.101 113.522 114.554 0.115 0.000 2.847 147 T HA 0.338 4.688 4.350 0.000 0.000 0.279 147 T C 1.064 175.815 174.700 0.085 0.000 0.984 147 T CA -0.886 61.281 62.100 0.112 0.000 0.988 147 T CB 0.929 69.850 68.868 0.090 0.000 1.040 147 T HN 0.769 nan 8.240 nan 0.000 0.528 148 M N 0.250 119.886 119.600 0.060 0.000 2.213 148 M HA -0.026 4.454 4.480 0.000 0.000 0.263 148 M C 2.195 178.479 176.300 -0.026 0.000 1.062 148 M CA 1.508 56.811 55.300 0.005 0.000 1.105 148 M CB -1.247 31.277 32.600 -0.125 0.000 1.385 148 M HN 0.833 nan 8.290 nan 0.000 0.417 149 K N 0.718 121.105 120.400 -0.021 0.000 2.009 149 K HA -0.198 4.122 4.320 0.000 0.000 0.210 149 K C 1.691 178.278 176.600 -0.021 0.000 1.049 149 K CA 1.708 57.982 56.287 -0.021 0.000 0.929 149 K CB -0.007 32.510 32.500 0.028 0.000 0.714 149 K HN 0.417 nan 8.250 nan 0.000 0.440 150 E N 0.624 120.827 120.200 0.004 0.000 2.110 150 E HA -0.219 4.131 4.350 0.000 0.000 0.193 150 E C 2.046 178.641 176.600 -0.007 0.000 0.988 150 E CA 1.048 57.448 56.400 0.000 0.000 0.804 150 E CB -0.147 29.568 29.700 0.025 0.000 0.745 150 E HN 0.188 nan 8.360 nan 0.000 0.458 151 L N 1.188 122.414 121.223 0.004 0.000 2.017 151 L HA -0.154 4.186 4.340 0.000 0.000 0.208 151 L C 2.074 178.936 176.870 -0.012 0.000 1.073 151 L CA 1.528 56.366 54.840 -0.004 0.000 0.745 151 L CB -0.361 41.694 42.059 -0.006 0.000 0.894 151 L HN 0.101 nan 8.230 nan 0.000 0.432 152 L N -0.665 120.539 121.223 -0.031 0.000 2.042 152 L HA -0.241 4.099 4.340 0.000 0.000 0.210 152 L C 2.290 179.087 176.870 -0.121 0.000 1.076 152 L CA 1.418 56.200 54.840 -0.098 0.000 0.749 152 L CB -1.133 40.814 42.059 -0.187 0.000 0.893 152 L HN 0.281 nan 8.230 nan 0.000 0.432 153 D N 0.416 120.753 120.400 -0.105 0.000 2.123 153 D HA -0.173 4.467 4.640 0.000 0.000 0.196 153 D C 2.235 178.446 176.300 -0.148 0.000 0.992 153 D CA 1.259 55.182 54.000 -0.128 0.000 0.833 153 D CB -0.065 40.674 40.800 -0.101 0.000 0.954 153 D HN 0.299 nan 8.370 nan 0.000 0.455 154 K N -0.093 120.252 120.400 -0.092 0.000 2.057 154 K HA -0.000 4.320 4.320 0.000 0.000 0.206 154 K C 2.242 178.826 176.600 -0.027 0.000 1.050 154 K CA 0.551 56.797 56.287 -0.069 0.000 0.935 154 K CB 0.033 32.527 32.500 -0.010 0.000 0.715 154 K HN 0.160 nan 8.250 nan 0.000 0.439 155 L N 0.148 121.375 121.223 0.007 0.000 2.202 155 L HA -0.002 4.338 4.340 0.000 0.000 0.205 155 L C 0.731 177.695 176.870 0.155 0.000 1.083 155 L CA 0.047 54.951 54.840 0.106 0.000 0.790 155 L CB 0.259 42.394 42.059 0.126 0.000 0.942 155 L HN 0.110 nan 8.230 nan 0.000 0.452 156 C N -0.325 118.967 119.300 -0.012 0.000 2.303 156 C HA 0.122 4.582 4.460 0.000 0.000 0.341 156 C C 0.737 175.727 174.990 0.001 0.000 1.244 156 C CA -0.913 58.078 59.018 -0.044 0.000 1.765 156 C CB -0.590 26.997 27.740 -0.255 0.000 2.379 156 C HN 0.465 nan 8.230 nan 0.000 0.530 157 W N 1.864 123.106 121.300 -0.096 0.000 3.290 157 W HA 0.147 4.807 4.660 0.000 0.000 0.287 157 W C 1.338 177.826 176.519 -0.052 0.000 1.288 157 W CA 0.033 57.341 57.345 -0.061 0.000 1.725 157 W CB -0.168 29.267 29.460 -0.041 0.000 1.103 157 W HN 0.681 nan 8.180 nan 0.000 0.670 158 T N -3.660 110.956 114.554 0.103 0.000 2.887 158 T HA 0.300 4.650 4.350 0.000 0.000 0.288 158 T C 0.857 175.543 174.700 -0.023 0.000 1.021 158 T CA -0.639 61.494 62.100 0.055 0.000 1.000 158 T CB 2.642 71.569 68.868 0.099 0.000 1.034 158 T HN -0.210 nan 8.240 nan 0.000 0.467 159 E N 1.154 121.345 120.200 -0.014 0.000 2.110 159 E HA -0.127 4.223 4.350 0.000 0.000 0.193 159 E C 2.155 178.738 176.600 -0.029 0.000 0.988 159 E CA 1.307 57.685 56.400 -0.037 0.000 0.804 159 E CB -0.435 29.255 29.700 -0.017 0.000 0.745 159 E HN 0.744 nan 8.360 nan 0.000 0.458 160 S N 0.605 116.327 115.700 0.038 0.000 2.368 160 S HA -0.246 4.224 4.470 0.000 0.000 0.226 160 S C 2.083 176.697 174.600 0.025 0.000 1.044 160 S CA 1.839 60.118 58.200 0.132 0.000 1.062 160 S CB -0.143 63.208 63.200 0.252 0.000 0.931 160 S HN 0.329 nan 8.310 nan 0.000 0.440 161 A N 1.188 123.884 122.820 -0.206 0.000 1.898 161 A HA -0.077 4.243 4.320 0.000 0.000 0.216 161 A C 2.168 179.377 177.584 -0.626 0.000 1.181 161 A CA 1.875 53.451 52.037 -0.768 0.000 0.620 161 A CB -0.765 17.840 19.000 -0.658 0.000 0.819 161 A HN 0.663 nan 8.150 nan 0.000 0.442 162 K N -0.504 119.658 120.400 -0.398 0.000 2.032 162 K HA -0.246 4.074 4.320 0.000 0.000 0.209 162 K C 2.266 178.709 176.600 -0.262 0.000 1.048 162 K CA 1.879 57.954 56.287 -0.354 0.000 0.927 162 K CB -0.218 32.146 32.500 -0.226 0.000 0.712 162 K HN 0.623 nan 8.250 nan 0.000 0.441 163 Q N 0.380 120.091 119.800 -0.148 0.000 2.030 163 Q HA -0.195 4.145 4.340 0.000 0.000 0.204 163 Q C 2.136 178.130 176.000 -0.010 0.000 0.986 163 Q CA 1.700 57.477 55.803 -0.044 0.000 0.843 163 Q CB -0.209 28.545 28.738 0.027 0.000 0.904 163 Q HN 0.221 nan 8.270 nan 0.000 0.420 164 L N 0.462 121.674 121.223 -0.018 0.000 2.079 164 L HA -0.169 4.171 4.340 0.000 0.000 0.210 164 L C 2.080 178.952 176.870 0.004 0.000 1.081 164 L CA 2.135 57.011 54.840 0.060 0.000 0.752 164 L CB -0.827 41.273 42.059 0.068 0.000 0.896 164 L HN 0.197 nan 8.230 nan 0.000 0.433 165 A N -2.173 120.446 122.820 -0.335 0.000 1.930 165 A HA -0.153 4.167 4.320 0.000 0.000 0.217 165 A C 2.246 179.780 177.584 -0.082 0.000 1.175 165 A CA 1.959 53.734 52.037 -0.437 0.000 0.627 165 A CB -0.988 17.217 19.000 -1.324 0.000 0.815 165 A HN 0.476 nan 8.150 nan 0.000 0.443 166 T N 0.107 114.596 114.554 -0.109 0.000 2.746 166 T HA -0.103 4.247 4.350 0.000 0.000 0.267 166 T C 1.828 176.552 174.700 0.041 0.000 1.039 166 T CA 1.449 63.517 62.100 -0.052 0.000 1.142 166 T CB -0.308 68.527 68.868 -0.053 0.000 0.866 166 T HN 0.347 nan 8.240 nan 0.000 0.444 167 L N -0.054 121.241 121.223 0.120 0.000 2.056 167 L HA 0.008 4.348 4.340 0.000 0.000 0.207 167 L C 2.163 179.177 176.870 0.240 0.000 1.078 167 L CA 1.172 56.121 54.840 0.183 0.000 0.749 167 L CB -0.345 41.861 42.059 0.245 0.000 0.901 167 L HN 0.197 nan 8.230 nan 0.000 0.433 168 F N -0.467 119.583 119.950 0.167 0.000 2.091 168 F HA -0.272 4.255 4.527 0.000 0.000 0.299 168 F C 2.141 178.060 175.800 0.199 0.000 1.103 168 F CA 2.047 60.205 58.000 0.264 0.000 1.228 168 F CB -0.479 38.815 39.000 0.490 0.000 0.984 168 F HN -0.173 nan 8.300 nan 0.000 0.477 169 V N 0.816 120.755 119.914 0.041 0.000 2.270 169 V HA -0.341 3.779 4.120 0.000 0.000 0.245 169 V C 2.018 177.995 176.094 -0.194 0.000 1.043 169 V CA 2.421 64.529 62.300 -0.320 0.000 1.014 169 V CB -1.045 30.462 31.823 -0.526 0.000 0.645 169 V HN 0.395 nan 8.190 nan 0.000 0.447 170 N N 0.178 118.812 118.700 -0.109 0.000 2.094 170 N HA -0.238 4.502 4.740 0.000 0.000 0.191 170 N C 1.771 177.243 175.510 -0.065 0.000 1.023 170 N CA 1.490 54.490 53.050 -0.083 0.000 0.857 170 N CB -0.245 38.237 38.487 -0.009 0.000 1.013 170 N HN 0.350 nan 8.380 nan 0.000 0.426 171 L N 0.834 122.042 121.223 -0.025 0.000 2.072 171 L HA -0.026 4.314 4.340 0.000 0.000 0.205 171 L C 2.044 178.927 176.870 0.022 0.000 1.079 171 L CA 1.462 56.290 54.840 -0.020 0.000 0.752 171 L CB -0.543 41.472 42.059 -0.073 0.000 0.906 171 L HN 0.225 nan 8.230 nan 0.000 0.436 172 C N -1.209 118.065 119.300 -0.043 0.000 2.446 172 C HA -0.040 4.420 4.460 0.000 0.000 0.277 172 C C 2.212 177.336 174.990 0.223 0.000 1.275 172 C CA 0.981 60.036 59.018 0.062 0.000 1.727 172 C CB -0.695 27.002 27.740 -0.072 0.000 2.010 172 C HN 0.582 nan 8.230 nan 0.000 0.486 173 V N -2.118 117.841 119.914 0.075 0.000 3.252 173 V HA 0.285 4.405 4.120 0.000 0.000 0.320 173 V C 0.806 176.795 176.094 -0.177 0.000 1.459 173 V CA 0.728 63.036 62.300 0.014 0.000 1.095 173 V CB -1.429 30.512 31.823 0.198 0.000 0.997 173 V HN 0.506 nan 8.190 nan 0.000 0.469 174 T N -0.985 113.378 114.554 -0.318 0.000 3.538 174 T HA -0.108 4.242 4.350 0.000 0.000 0.385 174 T C 0.201 174.741 174.700 -0.267 0.000 0.766 174 T CA 1.301 63.188 62.100 -0.356 0.000 1.906 174 T CB -2.418 66.111 68.868 -0.565 0.000 1.760 174 T HN 2.301 nan 8.240 nan 0.000 0.678 175 A N -0.128 122.517 122.820 -0.293 0.000 2.566 175 A HA 0.755 5.075 4.320 0.000 0.000 0.292 175 A C -0.264 177.102 177.584 -0.364 0.000 1.112 175 A CA -1.079 50.703 52.037 -0.425 0.000 0.707 175 A CB 1.216 19.718 19.000 -0.830 0.000 1.302 175 A HN 0.360 nan 8.150 nan 0.000 0.409 176 E N 0.315 120.252 120.200 -0.437 0.000 2.349 176 E HA 0.244 4.594 4.350 0.000 0.000 0.262 176 E C 1.166 177.457 176.600 -0.515 0.000 1.088 176 E CA 0.544 56.645 56.400 -0.498 0.000 0.899 176 E CB 0.797 29.968 29.700 -0.880 0.000 1.044 176 E HN 0.776 nan 8.360 nan 0.000 0.420 177 T N -1.809 112.512 114.554 -0.388 0.000 2.915 177 T HA -0.163 4.187 4.350 0.000 0.000 0.269 177 T C 1.372 175.963 174.700 -0.182 0.000 1.071 177 T CA 1.421 63.361 62.100 -0.267 0.000 1.132 177 T CB -0.338 68.426 68.868 -0.173 0.000 0.878 177 T HN 0.611 nan 8.240 nan 0.000 0.479 178 H N 0.271 119.282 119.070 -0.097 0.000 2.547 178 H HA 0.301 4.857 4.556 0.000 0.000 0.266 178 H C 1.326 176.624 175.328 -0.050 0.000 0.988 178 H CA 0.527 56.538 56.048 -0.063 0.000 1.147 178 H CB -0.055 29.669 29.762 -0.063 0.000 1.365 178 H HN 0.478 nan 8.280 nan 0.000 0.589 179 E N 1.299 121.353 120.200 -0.243 0.000 2.307 179 E HA 0.062 4.412 4.350 0.000 0.000 0.195 179 E C 0.704 177.268 176.600 -0.061 0.000 0.975 179 E CA 0.272 56.583 56.400 -0.149 0.000 0.878 179 E CB 1.088 30.553 29.700 -0.392 0.000 0.845 179 E HN 0.334 nan 8.360 nan 0.000 0.488 180 V N -0.731 119.137 119.914 -0.077 0.000 2.547 180 V HA 0.414 4.534 4.120 0.000 0.000 0.299 180 V C 0.069 176.300 176.094 0.230 0.000 1.040 180 V CA -1.122 61.238 62.300 0.100 0.000 0.913 180 V CB 1.814 33.736 31.823 0.164 0.000 0.992 180 V HN -0.013 nan 8.190 nan 0.000 0.449 181 S N 3.446 119.348 115.700 0.338 0.000 2.558 181 S HA 0.330 4.800 4.470 0.000 0.000 0.293 181 S C 1.442 176.309 174.600 0.445 0.000 1.292 181 S CA 0.278 58.705 58.200 0.379 0.000 1.063 181 S CB 0.757 64.227 63.200 0.450 0.000 0.831 181 S HN 1.759 nan 8.310 nan 0.000 0.499 182 A N 5.074 128.091 122.820 0.329 0.000 1.873 182 A HA -0.002 4.318 4.320 0.000 0.000 0.215 182 A C 2.025 179.813 177.584 0.340 0.000 1.186 182 A CA 1.500 53.714 52.037 0.295 0.000 0.616 182 A CB -0.921 18.173 19.000 0.156 0.000 0.823 182 A HN 0.959 nan 8.150 nan 0.000 0.442 183 L N -1.237 120.221 121.223 0.392 0.000 1.971 183 L HA -0.208 4.132 4.340 0.000 0.000 0.215 183 L C 2.227 179.340 176.870 0.406 0.000 1.072 183 L CA 2.745 57.841 54.840 0.428 0.000 0.758 183 L CB -0.990 41.320 42.059 0.418 0.000 0.889 183 L HN 0.641 nan 8.230 nan 0.000 0.433 184 W N -0.457 121.009 121.300 0.276 0.000 2.318 184 W HA -0.338 4.322 4.660 0.000 0.000 0.313 184 W C 2.421 179.214 176.519 0.457 0.000 1.221 184 W CA 2.400 59.937 57.345 0.319 0.000 1.266 184 W CB -0.715 28.927 29.460 0.304 0.000 1.150 184 W HN 0.341 nan 8.180 nan 0.000 0.496 185 F N 0.341 120.422 119.950 0.218 0.000 2.163 185 F HA -0.095 4.432 4.527 0.000 0.000 0.297 185 F C 2.061 177.822 175.800 -0.066 0.000 1.094 185 F CA 1.881 59.831 58.000 -0.083 0.000 1.290 185 F CB -0.752 38.344 39.000 0.160 0.000 1.017 185 F HN -0.188 nan 8.300 nan 0.000 0.483 186 L N -1.148 120.057 121.223 -0.030 0.000 2.131 186 L HA -0.200 4.140 4.340 0.000 0.000 0.210 186 L C 2.241 179.025 176.870 -0.144 0.000 1.092 186 L CA 1.560 56.324 54.840 -0.126 0.000 0.759 186 L CB -0.861 41.162 42.059 -0.060 0.000 0.903 186 L HN 0.473 nan 8.230 nan 0.000 0.435 187 W N -0.300 120.850 121.300 -0.250 0.000 2.407 187 W HA -0.257 4.403 4.660 0.000 0.000 0.305 187 W C 2.591 178.885 176.519 -0.376 0.000 1.196 187 W CA 1.176 58.367 57.345 -0.257 0.000 1.311 187 W CB -0.611 28.733 29.460 -0.194 0.000 1.135 187 W HN 0.078 nan 8.180 nan 0.000 0.514 188 Y N 0.975 120.816 120.300 -0.764 0.000 2.114 188 Y HA -0.329 4.221 4.550 0.000 0.000 0.282 188 Y C 2.389 177.742 175.900 -0.911 0.000 1.165 188 Y CA 3.140 60.586 58.100 -1.091 0.000 1.148 188 Y CB -0.829 36.959 38.460 -1.120 0.000 0.972 188 Y HN -0.131 nan 8.280 nan 0.000 0.504 189 V N 1.059 120.567 119.914 -0.677 0.000 2.295 189 V HA -0.320 3.800 4.120 0.000 0.000 0.246 189 V C 2.524 178.297 176.094 -0.535 0.000 1.049 189 V CA 2.302 64.284 62.300 -0.529 0.000 1.024 189 V CB -0.730 30.877 31.823 -0.360 0.000 0.648 189 V HN 0.352 nan 8.190 nan 0.000 0.447 190 K N 1.049 121.148 120.400 -0.502 0.000 2.026 190 K HA -0.263 4.057 4.320 0.000 0.000 0.208 190 K C 2.182 178.447 176.600 -0.558 0.000 1.048 190 K CA 2.337 58.368 56.287 -0.426 0.000 0.929 190 K CB -0.207 32.112 32.500 -0.301 0.000 0.713 190 K HN 0.712 nan 8.250 nan 0.000 0.439 191 Q N -0.562 118.756 119.800 -0.803 0.000 2.488 191 Q HA -0.015 4.325 4.340 0.000 0.000 0.211 191 Q C 1.512 176.990 176.000 -0.870 0.000 0.967 191 Q CA 1.104 56.431 55.803 -0.795 0.000 0.926 191 Q CB -0.572 27.504 28.738 -1.103 0.000 0.992 191 Q HN 0.169 nan 8.270 nan 0.000 0.506 192 C N 0.456 119.095 119.300 -1.101 0.000 2.625 192 C HA 0.571 5.031 4.460 0.000 0.000 0.285 192 C C 1.612 175.879 174.990 -1.205 0.000 1.279 192 C CA 0.198 58.204 59.018 -1.687 0.000 1.698 192 C CB -1.161 25.591 27.740 -1.647 0.000 1.821 192 C HN 0.848 nan 8.230 nan 0.000 0.600 193 G N 0.148 108.558 108.800 -0.650 0.000 2.176 193 G HA2 0.226 4.186 3.960 0.000 0.000 0.253 193 G HA3 0.226 4.186 3.960 0.000 0.000 0.253 193 G C 0.499 175.241 174.900 -0.262 0.000 0.979 193 G CA 0.092 44.976 45.100 -0.361 0.000 0.641 193 G HN 1.680 nan 8.290 nan 0.000 0.530 194 G N -2.349 106.276 108.800 -0.291 0.000 2.462 194 G HA2 0.362 4.322 3.960 0.000 0.000 0.685 194 G HA3 0.362 4.322 3.960 0.000 0.000 0.685 194 G C 0.947 175.814 174.900 -0.054 0.000 1.295 194 G CA 0.956 45.958 45.100 -0.163 0.000 0.941 194 G HN 1.804 nan 8.290 nan 0.000 0.554 195 T N -2.804 111.773 114.554 0.039 0.000 2.746 195 T HA -0.116 4.234 4.350 0.000 0.000 0.267 195 T C 2.341 177.130 174.700 0.149 0.000 1.039 195 T CA 2.963 65.173 62.100 0.183 0.000 1.142 195 T CB -0.800 68.141 68.868 0.122 0.000 0.866 195 T HN 0.929 nan 8.240 nan 0.000 0.444 196 T N 1.400 115.995 114.554 0.069 0.000 2.708 196 T HA -0.036 4.314 4.350 0.000 0.000 0.266 196 T C 2.118 176.804 174.700 -0.023 0.000 1.037 196 T CA 1.543 63.645 62.100 0.002 0.000 1.146 196 T CB -0.312 68.561 68.868 0.009 0.000 0.865 196 T HN 0.342 nan 8.240 nan 0.000 0.435 197 R N 0.924 121.421 120.500 -0.005 0.000 2.075 197 R HA 0.136 4.476 4.340 0.000 0.000 0.232 197 R C 2.243 178.598 176.300 0.091 0.000 1.126 197 R CA 1.164 57.282 56.100 0.029 0.000 0.963 197 R CB -0.835 29.462 30.300 -0.005 0.000 0.858 197 R HN 0.455 nan 8.270 nan 0.000 0.435 198 I N -0.315 120.283 120.570 0.047 0.000 2.315 198 I HA -0.145 4.025 4.170 0.000 0.000 0.248 198 I C 1.517 177.733 176.117 0.165 0.000 1.117 198 I CA 1.540 62.911 61.300 0.119 0.000 1.404 198 I CB -0.066 37.966 38.000 0.053 0.000 1.071 198 I HN 0.337 nan 8.210 nan 0.000 0.419 199 A N -0.724 122.180 122.820 0.140 0.000 2.178 199 A HA 0.179 4.499 4.320 0.000 0.000 0.211 199 A C 1.214 178.762 177.584 -0.059 0.000 1.157 199 A CA 0.088 52.168 52.037 0.072 0.000 0.780 199 A CB -0.175 18.884 19.000 0.098 0.000 0.828 199 A HN 0.369 nan 8.150 nan 0.000 0.476 200 S N -0.779 114.883 115.700 -0.063 0.000 2.672 200 S HA 0.419 4.889 4.470 0.000 0.000 0.276 200 S C 1.042 175.613 174.600 -0.049 0.000 1.207 200 S CA -0.171 57.974 58.200 -0.091 0.000 1.002 200 S CB 1.505 64.642 63.200 -0.105 0.000 0.998 200 S HN 0.419 nan 8.310 nan 0.000 0.542 201 T N 1.600 116.120 114.554 -0.056 0.000 3.356 201 T HA 0.066 4.416 4.350 0.000 0.000 0.220 201 T C 0.343 175.011 174.700 -0.055 0.000 0.963 201 T CA 0.418 62.482 62.100 -0.060 0.000 1.540 201 T CB -0.564 68.268 68.868 -0.061 0.000 1.320 201 T HN 0.655 nan 8.240 nan 0.000 0.448 202 T N 3.701 118.225 114.554 -0.049 0.000 2.819 202 T HA 0.030 4.380 4.350 0.000 0.000 0.282 202 T C 0.771 175.448 174.700 -0.038 0.000 1.013 202 T CA 0.524 62.600 62.100 -0.040 0.000 1.159 202 T CB -0.261 68.587 68.868 -0.033 0.000 1.007 202 T HN 0.527 nan 8.240 nan 0.000 0.514 203 N N 0.504 119.185 118.700 -0.032 0.000 2.778 203 N HA -0.152 4.588 4.740 0.000 0.000 0.249 203 N C 0.215 175.721 175.510 -0.008 0.000 1.069 203 N CA 1.624 54.662 53.050 -0.021 0.000 0.831 203 N CB -1.075 37.402 38.487 -0.016 0.000 1.142 203 N HN 1.001 nan 8.380 nan 0.000 0.573 204 G N -3.297 105.493 108.800 -0.017 0.000 3.022 204 G HA2 0.562 4.522 3.960 0.000 0.000 0.284 204 G HA3 0.562 4.522 3.960 0.000 0.000 0.284 204 G C 1.044 175.936 174.900 -0.012 0.000 1.375 204 G CA 0.038 45.152 45.100 0.023 0.000 0.902 204 G HN 0.267 nan 8.290 nan 0.000 0.538 205 G N -0.776 108.062 108.800 0.062 0.000 2.475 205 G HA2 -0.144 3.816 3.960 0.000 0.000 0.220 205 G HA3 -0.144 3.816 3.960 0.000 0.000 0.220 205 G C 1.173 176.039 174.900 -0.057 0.000 1.125 205 G CA 1.208 46.277 45.100 -0.052 0.000 0.755 205 G HN 0.544 nan 8.290 nan 0.000 0.565 206 Q N -0.537 119.229 119.800 -0.056 0.000 2.188 206 Q HA 0.269 4.609 4.340 0.000 0.000 0.212 206 Q C 1.634 177.580 176.000 -0.090 0.000 0.846 206 Q CA -0.248 55.469 55.803 -0.143 0.000 0.989 206 Q CB 0.642 29.218 28.738 -0.270 0.000 1.114 206 Q HN 0.559 nan 8.270 nan 0.000 0.488 207 E N 1.248 121.402 120.200 -0.077 0.000 2.072 207 E HA -0.084 4.266 4.350 0.000 0.000 0.191 207 E C 0.125 176.667 176.600 -0.096 0.000 0.985 207 E CA 0.852 57.203 56.400 -0.080 0.000 0.801 207 E CB 0.484 30.130 29.700 -0.090 0.000 0.750 207 E HN 0.212 nan 8.360 nan 0.000 0.452 208 R N -0.876 119.542 120.500 -0.137 0.000 2.888 208 R HA 0.472 4.812 4.340 0.000 0.000 0.264 208 R C -0.975 175.099 176.300 -0.377 0.000 1.045 208 R CA -0.735 55.196 56.100 -0.282 0.000 0.962 208 R CB 1.932 32.038 30.300 -0.323 0.000 1.210 208 R HN -0.180 nan 8.270 nan 0.000 0.479 209 K N 0.450 120.449 120.400 -0.669 0.000 2.444 209 K HA 0.433 4.753 4.320 0.000 0.000 0.252 209 K C -1.149 175.087 176.600 -0.608 0.000 0.993 209 K CA -0.724 55.154 56.287 -0.681 0.000 0.847 209 K CB 1.535 33.689 32.500 -0.577 0.000 1.340 209 K HN 0.219 nan 8.250 nan 0.000 0.446 210 F N 0.950 120.818 119.950 -0.136 0.000 2.412 210 F HA 0.157 4.684 4.527 0.000 0.000 0.348 210 F C 0.515 176.372 175.800 0.095 0.000 1.102 210 F CA -0.942 57.037 58.000 -0.036 0.000 1.196 210 F CB 0.882 39.840 39.000 -0.071 0.000 1.144 210 F HN 0.006 nan 8.300 nan 0.000 0.541 211 V N 3.489 123.605 119.914 0.337 0.000 2.493 211 V HA 0.237 4.357 4.120 0.000 0.000 0.292 211 V C 0.922 176.931 176.094 -0.143 0.000 1.016 211 V CA 1.183 63.608 62.300 0.209 0.000 1.097 211 V CB 0.113 32.034 31.823 0.164 0.000 0.947 211 V HN 1.104 nan 8.190 nan 0.000 0.479 212 G N 3.377 111.716 108.800 -0.769 0.000 2.175 212 G HA2 0.149 4.109 3.960 0.000 0.000 0.244 212 G HA3 0.149 4.109 3.960 0.000 0.000 0.244 212 G C 0.756 175.076 174.900 -0.966 0.000 0.982 212 G CA -0.099 44.224 45.100 -1.296 0.000 0.641 212 G HN 2.403 nan 8.290 nan 0.000 0.527 213 G N -1.363 107.165 108.800 -0.454 0.000 2.712 213 G HA2 0.345 4.305 3.960 0.000 0.000 0.686 213 G HA3 0.345 4.305 3.960 0.000 0.000 0.686 213 G C 0.839 175.740 174.900 0.001 0.000 1.181 213 G CA 0.831 45.883 45.100 -0.081 0.000 0.762 213 G HN 1.891 nan 8.290 nan 0.000 0.641 214 S N 0.220 115.980 115.700 0.099 0.000 2.481 214 S HA 0.126 4.596 4.470 0.000 0.000 0.231 214 S C 2.533 177.116 174.600 -0.028 0.000 0.996 214 S CA 1.583 59.843 58.200 0.100 0.000 0.942 214 S CB -0.015 63.303 63.200 0.196 0.000 0.768 214 S HN 2.169 nan 8.310 nan 0.000 0.520 215 G N 1.444 110.242 108.800 -0.004 0.000 2.462 215 G HA2 -0.194 3.766 3.960 0.000 0.000 0.220 215 G HA3 -0.194 3.766 3.960 0.000 0.000 0.220 215 G C 1.452 176.326 174.900 -0.044 0.000 1.121 215 G CA 0.666 45.773 45.100 0.010 0.000 0.758 215 G HN 0.630 nan 8.290 nan 0.000 0.559 216 Q N -0.217 119.521 119.800 -0.103 0.000 2.234 216 Q HA -0.068 4.272 4.340 0.000 0.000 0.206 216 Q C 2.741 178.646 176.000 -0.158 0.000 0.980 216 Q CA 0.992 56.715 55.803 -0.134 0.000 0.869 216 Q CB -0.184 28.447 28.738 -0.179 0.000 0.912 216 Q HN 0.446 nan 8.270 nan 0.000 0.436 217 V N 0.216 120.010 119.914 -0.200 0.000 2.237 217 V HA -0.289 3.831 4.120 0.000 0.000 0.245 217 V C 2.170 178.200 176.094 -0.108 0.000 1.046 217 V CA 2.130 64.310 62.300 -0.199 0.000 1.007 217 V CB -0.680 31.003 31.823 -0.233 0.000 0.638 217 V HN 0.292 nan 8.190 nan 0.000 0.445 218 S N -0.576 115.086 115.700 -0.064 0.000 2.368 218 S HA -0.228 4.242 4.470 0.000 0.000 0.225 218 S C 1.919 176.497 174.600 -0.037 0.000 1.030 218 S CA 1.742 59.921 58.200 -0.034 0.000 0.999 218 S CB -0.335 62.867 63.200 0.003 0.000 0.844 218 S HN 0.696 nan 8.310 nan 0.000 0.459 219 E N 0.903 121.081 120.200 -0.035 0.000 2.058 219 E HA -0.125 4.225 4.350 0.000 0.000 0.194 219 E C 2.370 178.941 176.600 -0.048 0.000 0.997 219 E CA 0.913 57.293 56.400 -0.032 0.000 0.801 219 E CB -0.121 29.563 29.700 -0.027 0.000 0.746 219 E HN 0.360 nan 8.360 nan 0.000 0.450 220 R N 0.285 120.745 120.500 -0.066 0.000 2.115 220 R HA -0.049 4.291 4.340 0.000 0.000 0.230 220 R C 2.354 178.615 176.300 -0.065 0.000 1.111 220 R CA 0.892 56.951 56.100 -0.068 0.000 0.976 220 R CB -0.181 30.068 30.300 -0.085 0.000 0.870 220 R HN 0.243 nan 8.270 nan 0.000 0.445 221 I N 0.451 120.981 120.570 -0.067 0.000 2.353 221 I HA -0.252 3.918 4.170 0.000 0.000 0.248 221 I C 2.635 178.705 176.117 -0.078 0.000 1.119 221 I CA 0.979 62.238 61.300 -0.069 0.000 1.417 221 I CB -0.199 37.764 38.000 -0.061 0.000 1.078 221 I HN 0.192 nan 8.210 nan 0.000 0.421 222 M N 0.944 120.505 119.600 -0.064 0.000 2.106 222 M HA -0.274 4.206 4.480 0.000 0.000 0.259 222 M C 1.688 177.949 176.300 -0.066 0.000 1.068 222 M CA 1.996 57.258 55.300 -0.063 0.000 1.100 222 M CB -0.231 32.343 32.600 -0.043 0.000 1.351 222 M HN 0.177 nan 8.290 nan 0.000 0.404 223 D N 0.518 120.884 120.400 -0.057 0.000 2.104 223 D HA -0.167 4.473 4.640 0.000 0.000 0.194 223 D C 1.993 178.256 176.300 -0.061 0.000 0.994 223 D CA 1.455 55.425 54.000 -0.050 0.000 0.830 223 D CB -0.499 40.276 40.800 -0.042 0.000 0.959 223 D HN 0.422 nan 8.370 nan 0.000 0.452 224 L N 0.045 121.222 121.223 -0.076 0.000 2.141 224 L HA -0.092 4.248 4.340 0.000 0.000 0.209 224 L C 2.372 179.134 176.870 -0.179 0.000 1.094 224 L CA 0.575 55.361 54.840 -0.090 0.000 0.763 224 L CB -0.178 41.835 42.059 -0.077 0.000 0.908 224 L HN 0.021 nan 8.230 nan 0.000 0.437 225 L N -1.239 119.857 121.223 -0.211 0.000 2.446 225 L HA 0.159 4.499 4.340 0.000 0.000 0.219 225 L C 1.640 178.407 176.870 -0.172 0.000 1.116 225 L CA 0.405 55.063 54.840 -0.304 0.000 0.844 225 L CB -0.560 41.354 42.059 -0.242 0.000 0.970 225 L HN 0.427 nan 8.230 nan 0.000 0.457 226 G N 1.794 110.532 108.800 -0.104 0.000 2.583 226 G HA2 -0.439 3.521 3.960 0.000 0.000 0.292 226 G HA3 -0.439 3.521 3.960 0.000 0.000 0.292 226 G C 0.554 175.426 174.900 -0.047 0.000 1.203 226 G CA 0.443 45.508 45.100 -0.057 0.000 0.987 226 G HN 0.483 nan 8.290 nan 0.000 0.554 227 D N 0.959 121.343 120.400 -0.027 0.000 2.363 227 D HA 0.037 4.677 4.640 0.000 0.000 0.226 227 D C 2.051 178.343 176.300 -0.013 0.000 1.020 227 D CA 0.627 54.619 54.000 -0.012 0.000 0.892 227 D CB -0.320 40.483 40.800 0.005 0.000 0.900 227 D HN 0.604 nan 8.370 nan 0.000 0.531 228 R N -0.179 120.302 120.500 -0.033 0.000 2.293 228 R HA 0.057 4.397 4.340 0.000 0.000 0.219 228 R C 0.247 176.511 176.300 -0.060 0.000 1.091 228 R CA 0.333 56.410 56.100 -0.038 0.000 1.004 228 R CB 0.228 30.494 30.300 -0.057 0.000 0.865 228 R HN 0.073 nan 8.270 nan 0.000 0.469 229 V N 3.016 122.894 119.914 -0.060 0.000 2.333 229 V HA 0.121 4.241 4.120 0.000 0.000 0.274 229 V C -0.373 175.688 176.094 -0.054 0.000 1.028 229 V CA -0.635 61.625 62.300 -0.066 0.000 0.851 229 V CB 1.293 33.080 31.823 -0.059 0.000 1.000 229 V HN 0.020 nan 8.190 nan 0.000 0.456 230 K N 6.315 126.670 120.400 -0.075 0.000 2.253 230 K HA 0.528 4.848 4.320 0.000 0.000 0.277 230 K C -0.501 176.064 176.600 -0.058 0.000 1.053 230 K CA -0.288 55.967 56.287 -0.053 0.000 0.892 230 K CB 1.508 33.971 32.500 -0.061 0.000 1.102 230 K HN 0.493 nan 8.250 nan 0.000 0.469 231 L N 1.777 122.979 121.223 -0.036 0.000 2.418 231 L HA 0.135 4.475 4.340 0.000 0.000 0.265 231 L C 0.706 177.554 176.870 -0.035 0.000 1.143 231 L CA -0.182 54.634 54.840 -0.039 0.000 0.809 231 L CB 0.157 42.203 42.059 -0.022 0.000 1.124 231 L HN 0.710 nan 8.230 nan 0.000 0.456 232 E N 0.649 120.816 120.200 -0.055 0.000 2.360 232 E HA -0.232 4.118 4.350 0.000 0.000 0.238 232 E C -0.565 176.009 176.600 -0.045 0.000 1.186 232 E CA 0.286 56.654 56.400 -0.053 0.000 0.719 232 E CB -0.765 28.925 29.700 -0.018 0.000 1.236 232 E HN 0.360 nan 8.360 nan 0.000 0.386 233 R N 0.130 120.587 120.500 -0.073 0.000 2.860 233 R HA 0.243 4.583 4.340 0.000 0.000 0.282 233 R C -2.657 173.577 176.300 -0.110 0.000 1.408 233 R CA -2.190 53.877 56.100 -0.055 0.000 1.636 233 R CB 0.375 30.646 30.300 -0.048 0.000 1.187 233 R HN 0.017 nan 8.270 nan 0.000 0.611 234 P HA -0.040 nan 4.420 nan 0.000 0.263 234 P C -0.268 176.996 177.300 -0.059 0.000 1.195 234 P CA -0.009 62.986 63.100 -0.175 0.000 0.762 234 P CB 0.736 32.364 31.700 -0.120 0.000 0.799 235 V N 5.740 125.627 119.914 -0.045 0.000 2.508 235 V HA 0.062 4.182 4.120 0.000 0.000 0.281 235 V C 1.705 177.812 176.094 0.021 0.000 1.041 235 V CA 0.352 62.649 62.300 -0.006 0.000 1.016 235 V CB 0.363 32.175 31.823 -0.019 0.000 0.984 235 V HN 0.535 nan 8.190 nan 0.000 0.478 236 I N 2.012 122.606 120.570 0.040 0.000 4.181 236 I HA 0.443 4.613 4.170 0.000 0.000 0.331 236 I C -0.042 176.163 176.117 0.147 0.000 1.312 236 I CA 0.089 61.439 61.300 0.083 0.000 1.146 236 I CB 0.585 38.609 38.000 0.039 0.000 1.074 236 I HN 0.518 nan 8.210 nan 0.000 0.402 237 Y N 2.015 122.258 120.300 -0.096 0.000 2.376 237 Y HA 0.636 5.186 4.550 0.000 0.000 0.321 237 Y C -1.994 173.833 175.900 -0.122 0.000 1.189 237 Y CA -1.534 56.496 58.100 -0.117 0.000 1.069 237 Y CB 1.325 39.751 38.460 -0.057 0.000 1.292 237 Y HN 0.017 nan 8.280 nan 0.000 0.430 238 I N 5.900 126.097 120.570 -0.621 0.000 2.436 238 I HA 0.361 4.531 4.170 0.000 0.000 0.289 238 I C -1.298 174.477 176.117 -0.569 0.000 1.010 238 I CA -0.711 60.295 61.300 -0.490 0.000 1.098 238 I CB 1.893 39.795 38.000 -0.163 0.000 1.266 238 I HN 0.528 nan 8.210 nan 0.000 0.434 239 D N 6.083 126.180 120.400 -0.506 0.000 2.481 239 D HA 0.265 4.905 4.640 0.000 0.000 0.246 239 D C -0.432 175.798 176.300 -0.116 0.000 1.109 239 D CA -0.331 53.467 54.000 -0.337 0.000 0.845 239 D CB 1.603 42.178 40.800 -0.376 0.000 1.160 239 D HN 0.524 nan 8.370 nan 0.000 0.534 240 Q N 1.994 121.770 119.800 -0.040 0.000 2.186 240 Q HA 0.107 4.447 4.340 0.000 0.000 0.241 240 Q C 1.108 177.106 176.000 -0.003 0.000 0.849 240 Q CA -0.048 55.746 55.803 -0.015 0.000 1.053 240 Q CB 0.735 29.476 28.738 0.006 0.000 1.146 240 Q HN 0.582 nan 8.270 nan 0.000 0.475 241 T N -2.787 111.770 114.554 0.005 0.000 3.043 241 T HA 0.110 4.460 4.350 0.000 0.000 0.263 241 T C 1.054 175.759 174.700 0.009 0.000 1.094 241 T CA 0.203 62.313 62.100 0.016 0.000 1.127 241 T CB 0.369 69.258 68.868 0.034 0.000 0.905 241 T HN 0.072 nan 8.240 nan 0.000 0.490 242 R N 0.389 120.890 120.500 0.002 0.000 2.602 242 R HA 0.431 4.771 4.340 0.000 0.000 0.237 242 R C 1.585 177.875 176.300 -0.017 0.000 1.219 242 R CA -0.630 55.468 56.100 -0.002 0.000 1.121 242 R CB 0.566 30.868 30.300 0.004 0.000 1.408 242 R HN 0.159 nan 8.270 nan 0.000 0.559 243 E N 0.419 120.607 120.200 -0.019 0.000 2.106 243 E HA -0.112 4.238 4.350 0.000 0.000 0.192 243 E C -0.295 176.272 176.600 -0.055 0.000 0.984 243 E CA 0.999 57.379 56.400 -0.033 0.000 0.806 243 E CB 0.212 29.896 29.700 -0.025 0.000 0.750 243 E HN 0.247 nan 8.360 nan 0.000 0.458 244 N N 0.061 118.734 118.700 -0.046 0.000 2.443 244 N HA 0.163 4.903 4.740 0.000 0.000 0.295 244 N C -1.066 174.415 175.510 -0.049 0.000 1.076 244 N CA -0.382 52.634 53.050 -0.058 0.000 0.919 244 N CB 2.025 40.491 38.487 -0.034 0.000 1.176 244 N HN -0.186 nan 8.380 nan 0.000 0.487 245 V N 2.417 122.293 119.914 -0.063 0.000 2.585 245 V HA 0.092 4.212 4.120 0.000 0.000 0.296 245 V C 0.593 176.675 176.094 -0.019 0.000 1.035 245 V CA -0.120 62.154 62.300 -0.043 0.000 1.084 245 V CB 0.072 31.872 31.823 -0.038 0.000 0.953 245 V HN 0.406 nan 8.190 nan 0.000 0.483 246 L N 5.367 126.571 121.223 -0.032 0.000 2.296 246 L HA 0.591 4.931 4.340 0.000 0.000 0.286 246 L C -0.624 176.223 176.870 -0.038 0.000 1.023 246 L CA -0.326 54.505 54.840 -0.015 0.000 0.812 246 L CB 1.886 43.943 42.059 -0.003 0.000 1.223 246 L HN 0.433 nan 8.230 nan 0.000 0.421 247 V N 3.291 123.233 119.914 0.047 0.000 2.443 247 V HA 0.374 4.494 4.120 0.000 0.000 0.293 247 V C -0.369 175.821 176.094 0.161 0.000 1.021 247 V CA -0.682 61.657 62.300 0.065 0.000 0.848 247 V CB 1.684 33.555 31.823 0.080 0.000 0.998 247 V HN 0.694 nan 8.190 nan 0.000 0.424 248 E N 2.816 123.105 120.200 0.148 0.000 2.191 248 E HA 0.655 5.005 4.350 0.000 0.000 0.274 248 E C -0.257 176.419 176.600 0.128 0.000 0.948 248 E CA -0.456 56.050 56.400 0.175 0.000 0.802 248 E CB 1.876 31.712 29.700 0.226 0.000 1.137 248 E HN 0.831 nan 8.360 nan 0.000 0.397 249 T N 0.936 115.561 114.554 0.118 0.000 2.944 249 T HA 0.195 4.545 4.350 0.000 0.000 0.284 249 T C 0.957 175.634 174.700 -0.038 0.000 1.010 249 T CA -0.826 61.311 62.100 0.062 0.000 1.025 249 T CB 1.133 70.073 68.868 0.119 0.000 1.079 249 T HN 0.450 nan 8.240 nan 0.000 0.516 250 L N 1.267 122.453 121.223 -0.061 0.000 2.191 250 L HA 0.018 4.358 4.340 0.000 0.000 0.212 250 L C 1.667 178.413 176.870 -0.207 0.000 1.103 250 L CA 1.554 56.306 54.840 -0.147 0.000 0.769 250 L CB -0.828 41.199 42.059 -0.053 0.000 0.908 250 L HN 0.865 nan 8.230 nan 0.000 0.438 251 N N -0.890 117.790 118.700 -0.032 0.000 2.441 251 N HA -0.106 4.634 4.740 0.000 0.000 0.225 251 N C -0.330 175.348 175.510 0.280 0.000 1.208 251 N CA -0.010 53.118 53.050 0.130 0.000 0.847 251 N CB -1.269 37.284 38.487 0.109 0.000 1.121 251 N HN 0.454 nan 8.380 nan 0.000 0.479 252 H N -0.962 118.118 119.070 0.016 0.000 2.355 252 H HA -0.194 4.362 4.556 0.000 0.000 0.324 252 H C -0.648 174.676 175.328 -0.007 0.000 1.015 252 H CA 0.750 56.801 56.048 0.004 0.000 1.101 252 H CB -2.354 27.399 29.762 -0.015 0.000 1.555 252 H HN 0.564 nan 8.280 nan 0.000 0.386 253 E N 0.154 120.411 120.200 0.094 0.000 2.248 253 E HA 0.570 4.920 4.350 0.000 0.000 0.272 253 E C 0.226 176.780 176.600 -0.075 0.000 1.008 253 E CA -0.793 55.594 56.400 -0.021 0.000 0.856 253 E CB 1.240 30.946 29.700 0.009 0.000 1.120 253 E HN 0.250 nan 8.360 nan 0.000 0.397 254 M N 2.252 121.686 119.600 -0.277 0.000 2.321 254 M HA 0.374 4.854 4.480 0.000 0.000 0.315 254 M C -1.565 174.462 176.300 -0.455 0.000 1.052 254 M CA -0.527 54.658 55.300 -0.192 0.000 0.936 254 M CB 1.290 33.847 32.600 -0.071 0.000 1.639 254 M HN 0.426 nan 8.290 nan 0.000 0.433 255 Y N 0.570 120.882 120.300 0.019 0.000 2.409 255 Y HA 0.512 5.062 4.550 0.000 0.000 0.343 255 Y C -0.391 175.511 175.900 0.004 0.000 0.973 255 Y CA -0.857 57.249 58.100 0.010 0.000 1.064 255 Y CB 1.678 40.142 38.460 0.007 0.000 1.207 255 Y HN 0.533 nan 8.280 nan 0.000 0.452 256 E N 2.170 122.447 120.200 0.128 0.000 2.176 256 E HA 0.842 5.192 4.350 0.000 0.000 0.267 256 E C -1.526 175.112 176.600 0.064 0.000 0.893 256 E CA -0.697 55.742 56.400 0.065 0.000 0.761 256 E CB 1.179 30.895 29.700 0.026 0.000 1.133 256 E HN 0.781 nan 8.360 nan 0.000 0.409 257 A N 3.854 126.695 122.820 0.034 0.000 2.566 257 A HA 0.363 4.683 4.320 0.000 0.000 0.292 257 A C 0.030 177.588 177.584 -0.043 0.000 1.112 257 A CA -0.669 51.382 52.037 0.024 0.000 0.707 257 A CB 1.544 20.576 19.000 0.053 0.000 1.302 257 A HN 0.713 nan 8.150 nan 0.000 0.409 258 K N -0.800 119.562 120.400 -0.064 0.000 2.103 258 K HA 0.064 4.384 4.320 0.000 0.000 0.204 258 K C -0.699 175.564 176.600 -0.562 0.000 1.052 258 K CA 1.540 57.652 56.287 -0.292 0.000 0.945 258 K CB -0.110 32.260 32.500 -0.216 0.000 0.722 258 K HN 0.600 nan 8.250 nan 0.000 0.443 259 Y N -1.266 119.052 120.300 0.029 0.000 2.597 259 Y HA 0.356 4.907 4.550 0.000 0.000 0.340 259 Y C -0.681 175.239 175.900 0.033 0.000 1.097 259 Y CA -1.326 56.805 58.100 0.052 0.000 1.037 259 Y CB 1.756 40.237 38.460 0.036 0.000 1.305 259 Y HN -0.415 nan 8.280 nan 0.000 0.463 260 V N 3.119 123.168 119.914 0.225 0.000 2.680 260 V HA 0.519 4.639 4.120 0.000 0.000 0.309 260 V C -0.599 175.537 176.094 0.070 0.000 1.052 260 V CA -0.883 61.478 62.300 0.102 0.000 0.908 260 V CB 2.154 34.009 31.823 0.053 0.000 1.001 260 V HN 0.556 nan 8.190 nan 0.000 0.431 261 I N 2.489 123.070 120.570 0.018 0.000 2.362 261 I HA 0.330 4.500 4.170 0.000 0.000 0.289 261 I C 0.299 176.399 176.117 -0.028 0.000 0.994 261 I CA -0.207 61.081 61.300 -0.021 0.000 1.158 261 I CB 1.937 39.933 38.000 -0.007 0.000 1.315 261 I HN 0.618 nan 8.210 nan 0.000 0.451 262 S N 5.480 121.132 115.700 -0.081 0.000 2.411 262 S HA 0.456 4.926 4.470 0.000 0.000 0.304 262 S C 0.502 175.179 174.600 0.127 0.000 1.098 262 S CA -0.492 57.739 58.200 0.053 0.000 1.068 262 S CB 0.294 63.578 63.200 0.140 0.000 1.032 262 S HN 0.709 nan 8.310 nan 0.000 0.511 263 A N 6.134 129.016 122.820 0.103 0.000 3.003 263 A HA 0.472 4.792 4.320 0.000 0.000 0.301 263 A C 0.338 177.995 177.584 0.120 0.000 1.280 263 A CA -0.708 51.395 52.037 0.110 0.000 0.973 263 A CB -0.582 18.458 19.000 0.066 0.000 1.110 263 A HN 0.911 nan 8.150 nan 0.000 0.590 264 I N -4.014 116.647 120.570 0.152 0.000 2.846 264 I HA 0.689 4.859 4.170 0.000 0.000 0.307 264 I C -3.009 173.203 176.117 0.157 0.000 1.053 264 I CA -3.087 58.300 61.300 0.145 0.000 1.050 264 I CB 1.724 39.811 38.000 0.146 0.000 1.239 264 I HN -0.147 nan 8.210 nan 0.000 0.439 265 P HA 0.147 nan 4.420 nan 0.000 0.266 265 P C -2.179 175.180 177.300 0.098 0.000 1.193 265 P CA -0.623 62.548 63.100 0.119 0.000 0.770 265 P CB -0.028 31.728 31.700 0.092 0.000 0.836 266 P HA -0.207 nan 4.420 nan 0.000 0.215 266 P C 1.613 178.904 177.300 -0.016 0.000 1.157 266 P CA 1.897 65.010 63.100 0.020 0.000 0.874 266 P CB -0.302 31.378 31.700 -0.032 0.000 0.790 267 T N -1.244 113.274 114.554 -0.061 0.000 2.915 267 T HA -0.057 4.293 4.350 0.000 0.000 0.269 267 T C 1.540 176.233 174.700 -0.010 0.000 1.071 267 T CA 0.722 62.774 62.100 -0.079 0.000 1.132 267 T CB -0.854 67.933 68.868 -0.136 0.000 0.878 267 T HN -0.052 nan 8.240 nan 0.000 0.479 268 L N 0.402 121.648 121.223 0.037 0.000 2.362 268 L HA 0.096 4.436 4.340 0.000 0.000 0.219 268 L C 2.871 179.812 176.870 0.119 0.000 1.134 268 L CA 0.802 55.692 54.840 0.083 0.000 0.807 268 L CB -0.889 41.247 42.059 0.128 0.000 0.927 268 L HN 0.333 nan 8.230 nan 0.000 0.447 269 G N 0.190 109.074 108.800 0.140 0.000 2.516 269 G HA2 -0.277 3.683 3.960 0.000 0.000 0.221 269 G HA3 -0.277 3.683 3.960 0.000 0.000 0.221 269 G C 1.613 176.645 174.900 0.221 0.000 1.107 269 G CA 0.506 45.744 45.100 0.230 0.000 0.747 269 G HN 0.287 nan 8.290 nan 0.000 0.567 270 M N 0.062 119.723 119.600 0.103 0.000 2.279 270 M HA -0.019 4.461 4.480 0.000 0.000 0.264 270 M C 2.105 178.409 176.300 0.007 0.000 1.062 270 M CA 1.051 56.379 55.300 0.047 0.000 1.099 270 M CB -0.214 32.380 32.600 -0.009 0.000 1.394 270 M HN 0.175 nan 8.290 nan 0.000 0.426 271 K N 0.526 120.953 120.400 0.044 0.000 2.555 271 K HA 0.124 4.444 4.320 0.000 0.000 0.193 271 K C 0.303 176.924 176.600 0.035 0.000 1.032 271 K CA 0.549 56.870 56.287 0.056 0.000 1.004 271 K CB -0.064 32.512 32.500 0.127 0.000 0.804 271 K HN 0.373 nan 8.250 nan 0.000 0.496 272 I N 1.536 122.073 120.570 -0.055 0.000 2.378 272 I HA 0.119 4.289 4.170 0.000 0.000 0.291 272 I C 0.118 175.971 176.117 -0.439 0.000 0.992 272 I CA -0.767 60.382 61.300 -0.252 0.000 1.154 272 I CB 1.225 38.949 38.000 -0.461 0.000 1.315 272 I HN 0.036 nan 8.210 nan 0.000 0.448 273 H N 6.379 125.310 119.070 -0.232 0.000 2.742 273 H HA 0.289 4.846 4.556 0.000 0.000 0.302 273 H C -0.963 174.264 175.328 -0.168 0.000 1.069 273 H CA 0.134 56.151 56.048 -0.053 0.000 1.446 273 H CB 0.763 30.588 29.762 0.105 0.000 1.462 273 H HN 0.322 nan 8.280 nan 0.000 0.499 274 F N 2.001 122.050 119.950 0.164 0.000 2.450 274 F HA 0.175 4.702 4.527 0.000 0.000 0.332 274 F C 0.718 176.584 175.800 0.110 0.000 1.093 274 F CA -0.738 57.309 58.000 0.077 0.000 1.003 274 F CB 1.245 40.265 39.000 0.034 0.000 1.151 274 F HN 0.451 nan 8.300 nan 0.000 0.474 275 N N 3.970 122.792 118.700 0.203 0.000 2.504 275 N HA 0.405 5.145 4.740 0.000 0.000 0.280 275 N C -3.009 172.558 175.510 0.094 0.000 1.052 275 N CA -2.293 50.853 53.050 0.161 0.000 0.887 275 N CB 2.111 40.721 38.487 0.206 0.000 1.323 275 N HN 0.085 nan 8.380 nan 0.000 0.509 276 P HA 0.360 nan 4.420 nan 0.000 0.275 276 P C -2.681 174.698 177.300 0.130 0.000 1.266 276 P CA -1.111 62.051 63.100 0.103 0.000 0.793 276 P CB -0.329 31.408 31.700 0.063 0.000 1.074 277 P HA 0.059 nan 4.420 nan 0.000 0.266 277 P C 0.067 177.377 177.300 0.017 0.000 1.193 277 P CA 0.277 63.439 63.100 0.104 0.000 0.770 277 P CB 0.103 31.846 31.700 0.072 0.000 0.836 278 L N 3.904 125.087 121.223 -0.067 0.000 2.529 278 L HA 0.026 4.366 4.340 0.000 0.000 0.287 278 L C -1.591 175.222 176.870 -0.094 0.000 1.241 278 L CA -1.311 53.416 54.840 -0.189 0.000 0.857 278 L CB -0.807 41.064 42.059 -0.313 0.000 1.113 278 L HN 0.323 nan 8.230 nan 0.000 0.504 279 P HA -0.103 nan 4.420 nan 0.000 0.269 279 P C 0.660 177.929 177.300 -0.053 0.000 1.211 279 P CA -0.098 62.967 63.100 -0.059 0.000 0.781 279 P CB 0.433 32.095 31.700 -0.063 0.000 0.877 280 M N 1.595 121.177 119.600 -0.031 0.000 2.106 280 M HA -0.207 4.273 4.480 0.000 0.000 0.259 280 M C 1.227 177.537 176.300 0.016 0.000 1.068 280 M CA 2.266 57.560 55.300 -0.010 0.000 1.100 280 M CB -0.355 32.242 32.600 -0.006 0.000 1.351 280 M HN 0.163 nan 8.290 nan 0.000 0.404 281 M N -0.238 119.366 119.600 0.006 0.000 2.132 281 M HA -0.125 4.355 4.480 0.000 0.000 0.263 281 M C 2.293 178.645 176.300 0.088 0.000 1.065 281 M CA 1.655 56.998 55.300 0.071 0.000 1.122 281 M CB -1.391 31.187 32.600 -0.036 0.000 1.365 281 M HN 0.427 nan 8.290 nan 0.000 0.411 282 R N 0.109 120.584 120.500 -0.042 0.000 2.090 282 R HA -0.138 4.202 4.340 0.000 0.000 0.228 282 R C 1.970 178.190 176.300 -0.135 0.000 1.110 282 R CA 1.469 57.495 56.100 -0.123 0.000 0.973 282 R CB -0.190 29.981 30.300 -0.215 0.000 0.869 282 R HN 0.325 nan 8.270 nan 0.000 0.440 283 N N 0.573 119.209 118.700 -0.106 0.000 2.094 283 N HA -0.224 4.516 4.740 0.000 0.000 0.191 283 N C 1.634 177.083 175.510 -0.102 0.000 1.023 283 N CA 1.815 54.811 53.050 -0.091 0.000 0.857 283 N CB 0.051 38.506 38.487 -0.052 0.000 1.013 283 N HN 0.311 nan 8.380 nan 0.000 0.426 284 Q N -1.068 118.680 119.800 -0.088 0.000 2.163 284 Q HA -0.051 4.289 4.340 0.000 0.000 0.198 284 Q C 1.967 177.707 176.000 -0.433 0.000 0.954 284 Q CA 0.640 56.331 55.803 -0.186 0.000 0.851 284 Q CB -0.128 28.581 28.738 -0.048 0.000 0.928 284 Q HN 0.499 nan 8.270 nan 0.000 0.459 285 M N 1.610 120.961 119.600 -0.415 0.000 2.106 285 M HA -0.170 4.310 4.480 0.000 0.000 0.259 285 M C 1.931 178.006 176.300 -0.374 0.000 1.068 285 M CA 1.677 56.688 55.300 -0.481 0.000 1.100 285 M CB -0.447 32.050 32.600 -0.171 0.000 1.351 285 M HN 0.281 nan 8.290 nan 0.000 0.404 286 I N -1.930 118.481 120.570 -0.265 0.000 3.444 286 I HA -0.033 4.137 4.170 0.000 0.000 0.287 286 I C 1.610 177.601 176.117 -0.210 0.000 1.302 286 I CA 1.235 62.407 61.300 -0.213 0.000 1.368 286 I CB -1.062 36.858 38.000 -0.132 0.000 1.048 286 I HN 0.285 nan 8.210 nan 0.000 0.487 287 T N -2.114 112.297 114.554 -0.239 0.000 3.107 287 T HA 0.238 4.588 4.350 0.000 0.000 0.249 287 T C 1.492 176.031 174.700 -0.270 0.000 1.096 287 T CA -0.089 61.880 62.100 -0.218 0.000 1.012 287 T CB -0.098 68.663 68.868 -0.177 0.000 0.977 287 T HN 0.410 nan 8.240 nan 0.000 0.527 288 R N 0.890 121.173 120.500 -0.362 0.000 2.543 288 R HA 0.330 4.670 4.340 0.000 0.000 0.323 288 R C -0.143 175.851 176.300 -0.509 0.000 1.002 288 R CA -0.022 55.836 56.100 -0.403 0.000 1.106 288 R CB 1.386 31.393 30.300 -0.487 0.000 1.280 288 R HN 0.434 nan 8.270 nan 0.000 0.549 289 V N -1.120 118.475 119.914 -0.533 0.000 2.462 289 V HA 0.463 4.583 4.120 0.000 0.000 0.257 289 V C -2.747 172.986 176.094 -0.603 0.000 0.944 289 V CA -2.241 59.626 62.300 -0.722 0.000 0.903 289 V CB 0.811 32.165 31.823 -0.782 0.000 1.128 289 V HN -0.096 nan 8.190 nan 0.000 0.486 290 P HA 0.455 nan 4.420 nan 0.000 0.274 290 P C -0.557 176.395 177.300 -0.580 0.000 1.237 290 P CA -0.233 62.527 63.100 -0.567 0.000 0.793 290 P CB 1.939 33.283 31.700 -0.593 0.000 0.977 291 L N 0.889 121.962 121.223 -0.250 0.000 2.416 291 L HA 0.534 4.874 4.340 0.000 0.000 0.262 291 L C 1.598 178.527 176.870 0.098 0.000 1.093 291 L CA -0.062 54.736 54.840 -0.070 0.000 0.801 291 L CB -0.004 42.053 42.059 -0.002 0.000 1.191 291 L HN 0.463 nan 8.230 nan 0.000 0.459 292 G N -0.172 108.722 108.800 0.156 0.000 2.683 292 G HA2 0.406 4.366 3.960 0.000 0.000 0.260 292 G HA3 0.406 4.366 3.960 0.000 0.000 0.260 292 G C -0.763 174.146 174.900 0.015 0.000 1.238 292 G CA -0.414 44.737 45.100 0.084 0.000 0.934 292 G HN 0.534 nan 8.290 nan 0.000 0.534 293 S N -1.413 114.268 115.700 -0.031 0.000 2.502 293 S HA 0.622 5.092 4.470 0.000 0.000 0.304 293 S C -0.884 173.696 174.600 -0.032 0.000 1.097 293 S CA -0.607 57.595 58.200 0.004 0.000 1.045 293 S CB 1.796 65.012 63.200 0.026 0.000 1.019 293 S HN 0.857 nan 8.310 nan 0.000 0.481 294 V N 4.269 124.214 119.914 0.051 0.000 3.000 294 V HA 0.545 4.665 4.120 0.000 0.000 0.300 294 V C -1.969 174.280 176.094 0.257 0.000 1.251 294 V CA -0.797 61.564 62.300 0.103 0.000 0.972 294 V CB 1.740 33.549 31.823 -0.024 0.000 1.065 294 V HN 0.911 nan 8.190 nan 0.000 0.431 295 I N 5.039 125.772 120.570 0.273 0.000 2.406 295 I HA 0.526 4.696 4.170 0.000 0.000 0.290 295 I C -0.314 176.040 176.117 0.396 0.000 0.999 295 I CA -0.710 60.765 61.300 0.292 0.000 1.124 295 I CB 1.765 39.880 38.000 0.191 0.000 1.289 295 I HN 0.550 nan 8.210 nan 0.000 0.441 296 K N 5.830 126.497 120.400 0.445 0.000 2.211 296 K HA 0.581 4.901 4.320 0.000 0.000 0.275 296 K C -1.414 175.319 176.600 0.222 0.000 1.024 296 K CA -0.280 56.264 56.287 0.428 0.000 0.887 296 K CB 1.068 33.893 32.500 0.541 0.000 1.084 296 K HN 0.705 nan 8.250 nan 0.000 0.463 297 C N 5.174 124.565 119.300 0.152 0.000 2.498 297 C HA 0.582 5.042 4.460 0.000 0.000 0.316 297 C C -0.885 174.171 174.990 0.109 0.000 1.209 297 C CA -1.064 58.038 59.018 0.139 0.000 1.518 297 C CB 0.121 28.048 27.740 0.312 0.000 2.147 297 C HN 0.733 nan 8.230 nan 0.000 0.483 298 I N 3.004 123.607 120.570 0.055 0.000 2.410 298 I HA 0.435 4.605 4.170 0.000 0.000 0.286 298 I C -0.277 175.913 176.117 0.121 0.000 1.009 298 I CA -0.130 61.178 61.300 0.013 0.000 1.111 298 I CB 1.465 39.436 38.000 -0.049 0.000 1.262 298 I HN 0.353 nan 8.210 nan 0.000 0.443 299 V N 6.742 126.697 119.914 0.068 0.000 2.398 299 V HA 0.385 4.505 4.120 0.000 0.000 0.286 299 V C -0.644 175.339 176.094 -0.185 0.000 1.026 299 V CA -0.740 61.617 62.300 0.096 0.000 0.868 299 V CB 0.831 32.730 31.823 0.128 0.000 0.982 299 V HN 0.402 nan 8.190 nan 0.000 0.443 300 Y N 4.276 124.561 120.300 -0.025 0.000 2.334 300 Y HA 0.659 5.209 4.550 0.000 0.000 0.328 300 Y C -0.221 175.579 175.900 -0.166 0.000 1.130 300 Y CA -0.339 57.794 58.100 0.055 0.000 1.163 300 Y CB 1.178 39.752 38.460 0.189 0.000 1.207 300 Y HN 0.537 nan 8.280 nan 0.000 0.471 301 Y N -0.105 120.440 120.300 0.408 0.000 2.605 301 Y HA 0.325 4.875 4.550 0.000 0.000 0.343 301 Y C 1.122 177.166 175.900 0.241 0.000 1.036 301 Y CA -1.435 56.878 58.100 0.355 0.000 1.065 301 Y CB 1.704 40.473 38.460 0.516 0.000 1.288 301 Y HN 0.453 nan 8.280 nan 0.000 0.481 302 K N 0.363 120.981 120.400 0.363 0.000 2.063 302 K HA -0.116 4.204 4.320 0.000 0.000 0.208 302 K C -0.465 176.204 176.600 0.114 0.000 1.048 302 K CA 1.770 58.163 56.287 0.177 0.000 0.928 302 K CB 0.152 32.733 32.500 0.136 0.000 0.713 302 K HN 0.696 nan 8.250 nan 0.000 0.442 303 E N -1.335 118.941 120.200 0.127 0.000 2.408 303 E HA 0.194 4.544 4.350 0.000 0.000 0.275 303 E C -2.735 173.688 176.600 -0.296 0.000 0.935 303 E CA -2.059 54.314 56.400 -0.045 0.000 0.775 303 E CB 2.447 32.120 29.700 -0.046 0.000 1.277 303 E HN -0.100 nan 8.360 nan 0.000 0.455 304 P HA 0.069 nan 4.420 nan 0.000 0.238 304 P C 0.145 176.469 177.300 -1.626 0.000 1.794 304 P CA -0.125 61.917 63.100 -1.763 0.000 1.088 304 P CB -0.713 30.238 31.700 -1.248 0.000 1.923 305 F N 0.688 120.082 119.950 -0.927 0.000 2.216 305 F HA -0.104 4.423 4.527 0.000 0.000 0.300 305 F C 1.825 177.463 175.800 -0.271 0.000 1.085 305 F CA -0.002 57.750 58.000 -0.413 0.000 1.326 305 F CB -1.840 37.045 39.000 -0.192 0.000 1.027 305 F HN 0.166 nan 8.300 nan 0.000 0.497 306 W N 1.716 122.640 121.300 -0.627 0.000 2.350 306 W HA -0.048 4.612 4.660 0.000 0.000 0.289 306 W C 1.919 178.385 176.519 -0.089 0.000 1.215 306 W CA 1.103 58.302 57.345 -0.242 0.000 1.236 306 W CB -1.171 28.066 29.460 -0.372 0.000 1.130 306 W HN -0.106 nan 8.180 nan 0.000 0.541 307 R N 1.110 121.398 120.500 -0.353 0.000 2.148 307 R HA -0.026 4.314 4.340 0.000 0.000 0.227 307 R C 1.980 178.200 176.300 -0.133 0.000 1.103 307 R CA 1.369 57.370 56.100 -0.165 0.000 0.983 307 R CB -0.480 29.664 30.300 -0.260 0.000 0.874 307 R HN 0.306 nan 8.270 nan 0.000 0.451 308 K N 0.921 121.235 120.400 -0.144 0.000 2.211 308 K HA -0.064 4.256 4.320 0.000 0.000 0.203 308 K C 1.393 177.932 176.600 -0.101 0.000 1.050 308 K CA 0.902 57.131 56.287 -0.097 0.000 0.945 308 K CB 0.132 32.594 32.500 -0.063 0.000 0.732 308 K HN 0.136 nan 8.250 nan 0.000 0.451 309 K N 0.760 121.082 120.400 -0.130 0.000 2.417 309 K HA -0.029 4.291 4.320 0.000 0.000 0.196 309 K C -0.429 175.854 176.600 -0.530 0.000 1.023 309 K CA 0.151 56.261 56.287 -0.294 0.000 1.122 309 K CB 0.318 32.646 32.500 -0.287 0.000 0.850 309 K HN 0.017 nan 8.250 nan 0.000 0.521 310 D N 0.267 120.490 120.400 -0.295 0.000 2.775 310 D HA -0.200 4.440 4.640 0.000 0.000 0.235 310 D C -1.436 174.768 176.300 -0.160 0.000 1.120 310 D CA 0.781 54.658 54.000 -0.206 0.000 0.708 310 D CB -1.617 39.078 40.800 -0.176 0.000 1.084 310 D HN 0.333 nan 8.370 nan 0.000 0.434 311 Y N -0.664 119.667 120.300 0.052 0.000 2.364 311 Y HA 0.311 4.861 4.550 0.000 0.000 0.340 311 Y C 2.056 178.016 175.900 0.100 0.000 0.975 311 Y CA -0.921 57.209 58.100 0.049 0.000 1.089 311 Y CB 1.291 39.792 38.460 0.069 0.000 1.192 311 Y HN 0.278 nan 8.280 nan 0.000 0.454 312 C N -0.772 118.633 119.300 0.176 0.000 2.468 312 C HA 0.393 4.853 4.460 0.000 0.000 0.277 312 C C 1.693 176.733 174.990 0.083 0.000 1.400 312 C CA 0.693 59.792 59.018 0.136 0.000 1.770 312 C CB -0.921 26.832 27.740 0.022 0.000 1.905 312 C HN 1.215 nan 8.230 nan 0.000 0.519 313 G N -0.460 108.244 108.800 -0.161 0.000 2.205 313 G HA2 -0.095 3.865 3.960 0.000 0.000 0.180 313 G HA3 -0.095 3.865 3.960 0.000 0.000 0.180 313 G C -0.054 174.527 174.900 -0.533 0.000 1.004 313 G CA 0.137 44.864 45.100 -0.622 0.000 0.670 313 G HN 0.545 nan 8.290 nan 0.000 0.496 314 T N 2.170 116.503 114.554 -0.369 0.000 2.761 314 T HA 0.645 4.995 4.350 0.000 0.000 0.296 314 T C 0.279 174.779 174.700 -0.333 0.000 0.934 314 T CA 0.516 62.378 62.100 -0.398 0.000 1.091 314 T CB 0.904 69.602 68.868 -0.284 0.000 0.896 314 T HN 0.276 nan 8.240 nan 0.000 0.515 315 M N 3.997 123.371 119.600 -0.377 0.000 2.263 315 M HA 0.479 4.959 4.480 0.000 0.000 0.295 315 M C -0.850 175.437 176.300 -0.021 0.000 1.028 315 M CA -0.590 54.613 55.300 -0.162 0.000 0.921 315 M CB 2.191 34.670 32.600 -0.201 0.000 1.601 315 M HN 0.421 nan 8.290 nan 0.000 0.440 316 I N 4.845 125.572 120.570 0.263 0.000 2.307 316 I HA 0.414 4.584 4.170 0.000 0.000 0.289 316 I C -0.708 175.676 176.117 0.444 0.000 1.021 316 I CA -0.244 61.330 61.300 0.457 0.000 1.224 316 I CB 0.607 38.930 38.000 0.538 0.000 1.376 316 I HN 0.596 nan 8.210 nan 0.000 0.470 317 I N 5.273 126.062 120.570 0.365 0.000 2.420 317 I HA 0.281 4.451 4.170 0.000 0.000 0.282 317 I C -0.443 175.852 176.117 0.296 0.000 1.019 317 I CA -0.530 60.957 61.300 0.312 0.000 1.130 317 I CB 1.318 39.438 38.000 0.200 0.000 1.262 317 I HN 0.461 nan 8.210 nan 0.000 0.454 318 D N 4.383 124.957 120.400 0.291 0.000 2.348 318 D HA 0.711 5.351 4.640 0.000 0.000 0.249 318 D C 0.147 176.561 176.300 0.190 0.000 1.110 318 D CA 0.463 54.600 54.000 0.229 0.000 0.967 318 D CB 1.798 42.720 40.800 0.202 0.000 1.139 318 D HN 0.801 nan 8.370 nan 0.000 0.466 319 G N 1.582 110.473 108.800 0.151 0.000 2.742 319 G HA2 -0.112 3.848 3.960 0.000 0.000 0.686 319 G HA3 -0.112 3.848 3.960 0.000 0.000 0.686 319 G C 0.388 175.362 174.900 0.123 0.000 1.220 319 G CA 0.105 45.280 45.100 0.126 0.000 0.783 319 G HN 0.445 nan 8.290 nan 0.000 0.646 320 E N 0.435 120.701 120.200 0.110 0.000 2.153 320 E HA -0.075 4.275 4.350 0.000 0.000 0.194 320 E C 2.157 178.814 176.600 0.094 0.000 0.988 320 E CA 2.457 58.929 56.400 0.119 0.000 0.811 320 E CB 0.066 29.834 29.700 0.113 0.000 0.746 320 E HN 0.671 nan 8.360 nan 0.000 0.466 321 E N 0.175 120.423 120.200 0.080 0.000 2.285 321 E HA 0.113 4.463 4.350 0.000 0.000 0.194 321 E C 0.339 176.967 176.600 0.045 0.000 0.997 321 E CA 0.788 57.222 56.400 0.057 0.000 0.845 321 E CB -0.291 29.441 29.700 0.054 0.000 0.782 321 E HN 0.262 nan 8.360 nan 0.000 0.491 322 A N 2.863 125.721 122.820 0.065 0.000 2.438 322 A HA 0.191 4.511 4.320 0.000 0.000 0.280 322 A C -1.396 176.211 177.584 0.038 0.000 1.160 322 A CA -1.159 50.909 52.037 0.052 0.000 0.821 322 A CB 0.181 19.238 19.000 0.096 0.000 1.101 322 A HN -0.012 nan 8.150 nan 0.000 0.515 323 P HA -0.060 nan 4.420 nan 0.000 0.216 323 P C 0.372 177.702 177.300 0.050 0.000 1.153 323 P CA 0.940 64.042 63.100 0.004 0.000 0.848 323 P CB 0.029 31.712 31.700 -0.029 0.000 0.787 324 V N 0.264 120.224 119.914 0.076 0.000 2.427 324 V HA 0.439 4.559 4.120 0.000 0.000 0.286 324 V C 1.250 177.463 176.094 0.199 0.000 1.034 324 V CA 0.075 62.474 62.300 0.166 0.000 0.893 324 V CB 1.099 33.051 31.823 0.215 0.000 0.982 324 V HN 0.026 nan 8.190 nan 0.000 0.452 325 A N 4.537 127.508 122.820 0.252 0.000 2.303 325 A HA 0.372 4.692 4.320 0.000 0.000 0.217 325 A C 0.056 177.877 177.584 0.395 0.000 1.205 325 A CA 0.341 52.547 52.037 0.280 0.000 0.875 325 A CB 0.187 19.333 19.000 0.244 0.000 0.910 325 A HN 0.749 nan 8.150 nan 0.000 0.501 326 Y N -0.183 120.247 120.300 0.217 0.000 2.480 326 Y HA 0.469 5.019 4.550 0.000 0.000 0.329 326 Y C -0.411 175.548 175.900 0.098 0.000 1.127 326 Y CA -0.356 57.859 58.100 0.191 0.000 1.037 326 Y CB 1.492 40.116 38.460 0.274 0.000 1.320 326 Y HN 0.140 nan 8.280 nan 0.000 0.446 327 T N 3.674 117.883 114.554 -0.575 0.000 2.901 327 T HA 0.882 5.232 4.350 0.000 0.000 0.293 327 T C -1.562 172.692 174.700 -0.743 0.000 1.084 327 T CA -0.819 60.954 62.100 -0.545 0.000 1.008 327 T CB 1.926 70.474 68.868 -0.534 0.000 1.170 327 T HN 0.624 nan 8.240 nan 0.000 0.509 328 L N 0.748 121.669 121.223 -0.504 0.000 2.376 328 L HA 0.509 4.849 4.340 0.000 0.000 0.258 328 L C -0.724 175.947 176.870 -0.332 0.000 1.013 328 L CA -1.264 53.341 54.840 -0.393 0.000 0.822 328 L CB 2.254 44.168 42.059 -0.241 0.000 1.388 328 L HN 0.754 nan 8.230 nan 0.000 0.413 329 D N 0.752 120.999 120.400 -0.255 0.000 2.417 329 D HA -0.024 4.616 4.640 0.000 0.000 0.250 329 D C -0.390 175.918 176.300 0.014 0.000 1.166 329 D CA 0.574 54.494 54.000 -0.133 0.000 0.881 329 D CB 1.325 42.166 40.800 0.068 0.000 1.164 329 D HN 0.521 nan 8.370 nan 0.000 0.467 330 D N 1.727 122.143 120.400 0.027 0.000 2.479 330 D HA 0.063 4.703 4.640 0.000 0.000 0.218 330 D C -0.369 176.006 176.300 0.125 0.000 1.177 330 D CA -0.151 53.896 54.000 0.079 0.000 0.830 330 D CB 0.393 41.184 40.800 -0.015 0.000 1.014 330 D HN 0.236 nan 8.370 nan 0.000 0.503 331 T N 2.081 116.745 114.554 0.184 0.000 2.891 331 T HA -0.050 4.300 4.350 0.000 0.000 0.296 331 T C 0.527 175.286 174.700 0.098 0.000 1.025 331 T CA 0.034 62.238 62.100 0.173 0.000 1.149 331 T CB 0.579 69.555 68.868 0.179 0.000 1.007 331 T HN -0.044 nan 8.240 nan 0.000 0.528 332 K N 4.466 124.888 120.400 0.036 0.000 2.494 332 K HA 0.008 4.328 4.320 0.000 0.000 0.273 332 K C -1.532 174.952 176.600 -0.194 0.000 0.970 332 K CA -1.614 54.593 56.287 -0.134 0.000 0.963 332 K CB -0.020 32.427 32.500 -0.088 0.000 0.913 332 K HN 0.312 nan 8.250 nan 0.000 0.502 333 P HA -0.121 nan 4.420 nan 0.000 0.218 333 P C 0.368 177.586 177.300 -0.137 0.000 1.148 333 P CA 1.231 64.107 63.100 -0.373 0.000 0.822 333 P CB 0.275 31.641 31.700 -0.556 0.000 0.784 334 E N -1.365 118.778 120.200 -0.096 0.000 2.478 334 E HA 0.131 4.481 4.350 0.000 0.000 0.198 334 E C 1.608 178.199 176.600 -0.015 0.000 1.046 334 E CA 0.979 57.361 56.400 -0.030 0.000 0.870 334 E CB -0.878 28.824 29.700 0.003 0.000 0.818 334 E HN 0.275 nan 8.360 nan 0.000 0.527 335 G N 0.494 109.285 108.800 -0.016 0.000 2.194 335 G HA2 -0.299 3.661 3.960 0.000 0.000 0.236 335 G HA3 -0.299 3.661 3.960 0.000 0.000 0.236 335 G C 0.235 175.135 174.900 -0.000 0.000 0.987 335 G CA 0.240 45.332 45.100 -0.014 0.000 0.635 335 G HN 0.388 nan 8.290 nan 0.000 0.520 336 N N -0.596 118.129 118.700 0.041 0.000 2.538 336 N HA 0.507 5.248 4.740 0.000 0.000 0.292 336 N C 0.528 176.155 175.510 0.196 0.000 1.262 336 N CA -0.694 52.379 53.050 0.037 0.000 0.976 336 N CB -0.091 38.365 38.487 -0.052 0.000 1.161 336 N HN 0.634 nan 8.380 nan 0.000 0.598 337 Y N -2.823 117.508 120.300 0.052 0.000 3.168 337 Y HA -0.171 4.379 4.550 0.000 0.000 0.207 337 Y C 0.564 176.593 175.900 0.215 0.000 1.280 337 Y CA 0.302 58.491 58.100 0.148 0.000 1.235 337 Y CB -2.350 36.168 38.460 0.097 0.000 1.370 337 Y HN 0.753 nan 8.280 nan 0.000 0.537 338 A N 0.319 123.293 122.820 0.257 0.000 2.584 338 A HA 0.531 4.851 4.320 0.000 0.000 0.239 338 A C 0.739 178.567 177.584 0.406 0.000 1.043 338 A CA 0.640 52.839 52.037 0.271 0.000 0.756 338 A CB 0.053 19.122 19.000 0.115 0.000 0.963 338 A HN 1.437 nan 8.150 nan 0.000 0.511 339 A N 2.720 125.774 122.820 0.391 0.000 2.594 339 A HA 0.667 4.987 4.320 0.000 0.000 0.295 339 A C -0.861 176.714 177.584 -0.015 0.000 1.071 339 A CA -0.525 51.545 52.037 0.055 0.000 0.685 339 A CB 1.091 19.815 19.000 -0.459 0.000 1.285 339 A HN 0.729 nan 8.150 nan 0.000 0.405 340 I N 2.730 123.194 120.570 -0.177 0.000 2.389 340 I HA 0.323 4.493 4.170 0.000 0.000 0.288 340 I C -0.204 175.757 176.117 -0.261 0.000 0.999 340 I CA -0.346 60.708 61.300 -0.410 0.000 1.129 340 I CB 1.664 39.271 38.000 -0.655 0.000 1.288 340 I HN 0.731 nan 8.210 nan 0.000 0.444 341 M N 5.564 125.013 119.600 -0.251 0.000 2.180 341 M HA 0.551 5.031 4.480 0.000 0.000 0.358 341 M C -0.254 175.892 176.300 -0.257 0.000 1.233 341 M CA 0.031 55.214 55.300 -0.195 0.000 1.114 341 M CB 1.093 33.603 32.600 -0.149 0.000 1.594 341 M HN 0.732 nan 8.290 nan 0.000 0.467 342 G N 4.533 113.235 108.800 -0.165 0.000 2.620 342 G HA2 0.672 4.632 3.960 0.000 0.000 0.301 342 G HA3 0.672 4.632 3.960 0.000 0.000 0.301 342 G C -1.923 172.919 174.900 -0.096 0.000 1.347 342 G CA -0.576 44.461 45.100 -0.106 0.000 0.971 342 G HN 0.661 nan 8.290 nan 0.000 0.488 343 F N 0.614 120.713 119.950 0.249 0.000 2.420 343 F HA 0.493 5.020 4.527 0.000 0.000 0.342 343 F C 0.591 176.503 175.800 0.188 0.000 1.113 343 F CA -0.714 57.432 58.000 0.242 0.000 1.059 343 F CB 2.086 41.254 39.000 0.280 0.000 1.128 343 F HN 0.062 nan 8.300 nan 0.000 0.475 344 I N 5.118 125.895 120.570 0.347 0.000 2.304 344 I HA 0.247 4.417 4.170 0.000 0.000 0.291 344 I C -0.650 175.560 176.117 0.154 0.000 1.018 344 I CA -0.272 61.148 61.300 0.200 0.000 1.260 344 I CB 0.701 38.785 38.000 0.139 0.000 1.390 344 I HN 0.382 nan 8.210 nan 0.000 0.475 345 L N 6.598 127.878 121.223 0.096 0.000 2.322 345 L HA 0.711 5.051 4.340 0.000 0.000 0.279 345 L C 0.992 177.841 176.870 -0.035 0.000 1.036 345 L CA -0.230 54.628 54.840 0.029 0.000 0.807 345 L CB 1.446 43.531 42.059 0.043 0.000 1.226 345 L HN 0.893 nan 8.230 nan 0.000 0.433 346 A N 2.097 124.887 122.820 -0.049 0.000 5.308 346 A HA -0.373 3.947 4.320 0.000 0.000 0.321 346 A C 1.746 179.333 177.584 0.004 0.000 1.849 346 A CA 1.636 53.651 52.037 -0.036 0.000 0.713 346 A CB -1.654 17.323 19.000 -0.039 0.000 1.360 346 A HN 1.098 nan 8.150 nan 0.000 0.384 347 H N 1.111 120.171 119.070 -0.017 0.000 2.457 347 H HA -0.031 4.525 4.556 0.000 0.000 0.297 347 H C 1.678 177.023 175.328 0.029 0.000 1.092 347 H CA 1.930 57.986 56.048 0.013 0.000 1.309 347 H CB -0.390 29.389 29.762 0.027 0.000 1.382 347 H HN 0.740 nan 8.280 nan 0.000 0.535 348 K N 0.688 120.738 120.400 -0.584 0.000 2.148 348 K HA 0.072 4.392 4.320 0.000 0.000 0.204 348 K C 2.593 179.126 176.600 -0.111 0.000 1.050 348 K CA 0.884 56.957 56.287 -0.356 0.000 0.942 348 K CB 0.032 32.355 32.500 -0.295 0.000 0.724 348 K HN 0.330 nan 8.250 nan 0.000 0.446 349 A N 1.509 124.297 122.820 -0.053 0.000 1.902 349 A HA -0.191 4.129 4.320 0.000 0.000 0.217 349 A C 2.081 179.676 177.584 0.018 0.000 1.181 349 A CA 1.455 53.501 52.037 0.016 0.000 0.623 349 A CB -0.322 18.704 19.000 0.042 0.000 0.818 349 A HN 0.122 nan 8.150 nan 0.000 0.443 350 R N -0.343 120.165 120.500 0.014 0.000 2.070 350 R HA -0.083 4.257 4.340 0.000 0.000 0.232 350 R C 2.362 178.678 176.300 0.026 0.000 1.138 350 R CA 1.917 58.036 56.100 0.032 0.000 0.936 350 R CB -0.377 29.957 30.300 0.056 0.000 0.839 350 R HN 0.599 nan 8.270 nan 0.000 0.429 351 K N 0.450 120.862 120.400 0.019 0.000 2.020 351 K HA -0.167 4.153 4.320 0.000 0.000 0.212 351 K C 1.737 178.344 176.600 0.012 0.000 1.050 351 K CA 1.698 57.999 56.287 0.022 0.000 0.929 351 K CB -0.145 32.364 32.500 0.016 0.000 0.714 351 K HN 0.135 nan 8.250 nan 0.000 0.443 352 L N -0.002 121.222 121.223 0.001 0.000 2.418 352 L HA 0.063 4.403 4.340 0.000 0.000 0.218 352 L C 2.314 179.197 176.870 0.022 0.000 1.125 352 L CA 0.384 55.230 54.840 0.009 0.000 0.835 352 L CB -0.228 41.834 42.059 0.006 0.000 0.953 352 L HN 0.217 nan 8.230 nan 0.000 0.454 353 A N 0.513 123.349 122.820 0.026 0.000 2.076 353 A HA -0.212 4.108 4.320 0.000 0.000 0.220 353 A C 2.386 179.982 177.584 0.021 0.000 1.160 353 A CA 1.391 53.444 52.037 0.027 0.000 0.653 353 A CB -0.457 18.558 19.000 0.025 0.000 0.801 353 A HN 0.358 nan 8.150 nan 0.000 0.455 354 R N -0.822 119.689 120.500 0.018 0.000 2.148 354 R HA 0.091 4.431 4.340 0.000 0.000 0.227 354 R C 0.349 176.657 176.300 0.013 0.000 1.103 354 R CA 0.196 56.304 56.100 0.014 0.000 0.983 354 R CB -0.372 29.936 30.300 0.014 0.000 0.874 354 R HN 0.456 nan 8.270 nan 0.000 0.451 355 L N 1.004 122.236 121.223 0.015 0.000 2.476 355 L HA 0.018 4.358 4.340 0.000 0.000 0.264 355 L C 1.007 177.888 176.870 0.018 0.000 1.224 355 L CA -0.102 54.745 54.840 0.012 0.000 0.821 355 L CB 0.279 42.344 42.059 0.009 0.000 1.101 355 L HN 0.230 nan 8.230 nan 0.000 0.488 356 T N -2.225 112.338 114.554 0.015 0.000 2.828 356 T HA 0.072 4.422 4.350 0.000 0.000 0.290 356 T C 0.939 175.665 174.700 0.043 0.000 1.019 356 T CA -0.657 61.457 62.100 0.024 0.000 1.031 356 T CB 1.206 70.084 68.868 0.017 0.000 1.001 356 T HN 0.630 nan 8.240 nan 0.000 0.531 357 K N 0.313 120.755 120.400 0.070 0.000 2.074 357 K HA -0.207 4.113 4.320 0.000 0.000 0.209 357 K C 1.921 178.579 176.600 0.096 0.000 1.048 357 K CA 1.970 58.343 56.287 0.144 0.000 0.926 357 K CB -0.194 32.392 32.500 0.143 0.000 0.713 357 K HN 0.684 nan 8.250 nan 0.000 0.444 358 E N 0.617 120.836 120.200 0.033 0.000 2.106 358 E HA -0.137 4.213 4.350 0.000 0.000 0.192 358 E C 1.792 178.350 176.600 -0.071 0.000 0.984 358 E CA 1.227 57.608 56.400 -0.031 0.000 0.806 358 E CB -0.022 29.669 29.700 -0.014 0.000 0.750 358 E HN 0.385 nan 8.360 nan 0.000 0.458 359 E N 0.361 120.536 120.200 -0.041 0.000 2.110 359 E HA -0.125 4.225 4.350 0.000 0.000 0.193 359 E C 2.071 178.623 176.600 -0.079 0.000 0.988 359 E CA 0.843 57.212 56.400 -0.051 0.000 0.804 359 E CB -0.009 29.676 29.700 -0.026 0.000 0.745 359 E HN 0.115 nan 8.360 nan 0.000 0.458 360 R N 0.115 120.576 120.500 -0.065 0.000 2.075 360 R HA -0.114 4.226 4.340 0.000 0.000 0.232 360 R C 2.434 178.582 176.300 -0.253 0.000 1.126 360 R CA 0.789 56.839 56.100 -0.082 0.000 0.963 360 R CB -0.326 29.998 30.300 0.039 0.000 0.858 360 R HN 0.133 nan 8.270 nan 0.000 0.435 361 L N 1.808 122.767 121.223 -0.440 0.000 2.012 361 L HA -0.229 4.111 4.340 0.000 0.000 0.210 361 L C 2.235 178.882 176.870 -0.372 0.000 1.073 361 L CA 1.940 56.355 54.840 -0.707 0.000 0.748 361 L CB -0.482 41.116 42.059 -0.769 0.000 0.891 361 L HN -0.009 nan 8.230 nan 0.000 0.431 362 K N -0.367 119.891 120.400 -0.236 0.000 2.020 362 K HA -0.250 4.070 4.320 0.000 0.000 0.212 362 K C 2.184 178.690 176.600 -0.157 0.000 1.050 362 K CA 2.068 58.263 56.287 -0.154 0.000 0.929 362 K CB -0.173 32.266 32.500 -0.101 0.000 0.714 362 K HN 0.327 nan 8.250 nan 0.000 0.443 363 K N -0.026 120.280 120.400 -0.158 0.000 2.147 363 K HA -0.136 4.184 4.320 0.000 0.000 0.205 363 K C 2.031 178.487 176.600 -0.240 0.000 1.049 363 K CA 1.120 57.316 56.287 -0.152 0.000 0.936 363 K CB -0.057 32.376 32.500 -0.111 0.000 0.722 363 K HN 0.073 nan 8.250 nan 0.000 0.446 364 L N 0.460 121.486 121.223 -0.327 0.000 2.072 364 L HA -0.155 4.185 4.340 0.000 0.000 0.205 364 L C 2.312 178.744 176.870 -0.731 0.000 1.079 364 L CA 1.419 55.904 54.840 -0.592 0.000 0.752 364 L CB -0.592 41.172 42.059 -0.492 0.000 0.906 364 L HN 0.210 nan 8.230 nan 0.000 0.436 365 C N -0.689 118.411 119.300 -0.334 0.000 2.429 365 C HA -0.144 4.316 4.460 0.000 0.000 0.277 365 C C 2.633 177.584 174.990 -0.065 0.000 1.262 365 C CA 0.489 59.460 59.018 -0.078 0.000 1.733 365 C CB -0.725 27.029 27.740 0.023 0.000 2.010 365 C HN 0.541 nan 8.230 nan 0.000 0.483 366 E N 0.371 120.504 120.200 -0.111 0.000 2.110 366 E HA -0.214 4.136 4.350 0.000 0.000 0.193 366 E C 1.987 178.537 176.600 -0.084 0.000 0.988 366 E CA 0.916 57.274 56.400 -0.070 0.000 0.804 366 E CB -0.239 29.421 29.700 -0.068 0.000 0.745 366 E HN 0.514 nan 8.360 nan 0.000 0.458 367 L N 0.159 121.273 121.223 -0.180 0.000 2.017 367 L HA -0.192 4.149 4.340 0.000 0.000 0.208 367 L C 1.885 178.730 176.870 -0.042 0.000 1.073 367 L CA 1.749 56.492 54.840 -0.162 0.000 0.745 367 L CB -0.557 41.344 42.059 -0.263 0.000 0.894 367 L HN 0.201 nan 8.230 nan 0.000 0.432 368 Y N -0.813 119.466 120.300 -0.035 0.000 2.220 368 Y HA -0.152 4.398 4.550 0.000 0.000 0.291 368 Y C 2.549 178.453 175.900 0.008 0.000 1.129 368 Y CA 0.279 58.362 58.100 -0.029 0.000 1.161 368 Y CB -0.512 37.972 38.460 0.039 0.000 0.997 368 Y HN 0.357 nan 8.280 nan 0.000 0.522 369 A N 0.958 123.886 122.820 0.180 0.000 1.859 369 A HA -0.319 4.001 4.320 0.000 0.000 0.217 369 A C 2.159 179.787 177.584 0.074 0.000 1.198 369 A CA 2.356 54.459 52.037 0.109 0.000 0.629 369 A CB -0.785 18.250 19.000 0.059 0.000 0.830 369 A HN 0.429 nan 8.150 nan 0.000 0.446 370 K N -0.546 119.874 120.400 0.033 0.000 2.026 370 K HA -0.106 4.214 4.320 0.000 0.000 0.208 370 K C 1.852 178.444 176.600 -0.013 0.000 1.048 370 K CA 1.753 58.050 56.287 0.016 0.000 0.929 370 K CB -0.316 32.184 32.500 -0.001 0.000 0.713 370 K HN 0.239 nan 8.250 nan 0.000 0.439 371 V N 1.634 121.479 119.914 -0.114 0.000 2.343 371 V HA -0.216 3.904 4.120 0.000 0.000 0.247 371 V C 2.103 178.141 176.094 -0.094 0.000 1.051 371 V CA 1.542 63.720 62.300 -0.203 0.000 1.036 371 V CB -0.324 31.325 31.823 -0.290 0.000 0.654 371 V HN 0.328 nan 8.190 nan 0.000 0.451 372 L N 0.525 121.728 121.223 -0.034 0.000 2.591 372 L HA 0.304 4.644 4.340 0.000 0.000 0.228 372 L C 1.620 178.618 176.870 0.212 0.000 1.133 372 L CA 0.595 55.449 54.840 0.024 0.000 0.880 372 L CB -0.797 41.360 42.059 0.163 0.000 1.033 372 L HN 0.535 nan 8.230 nan 0.000 0.450 373 G N 0.818 109.702 108.800 0.140 0.000 2.390 373 G HA2 -0.274 3.686 3.960 0.000 0.000 0.299 373 G HA3 -0.274 3.686 3.960 0.000 0.000 0.299 373 G C 0.012 174.994 174.900 0.136 0.000 1.002 373 G CA 0.572 45.754 45.100 0.135 0.000 0.979 373 G HN 0.366 nan 8.290 nan 0.000 0.513 374 S N -0.622 115.153 115.700 0.125 0.000 2.789 374 S HA 0.431 4.901 4.470 0.000 0.000 0.286 374 S C 1.320 175.896 174.600 -0.041 0.000 1.153 374 S CA -0.703 57.539 58.200 0.069 0.000 1.084 374 S CB 1.508 64.821 63.200 0.188 0.000 1.036 374 S HN 0.266 nan 8.310 nan 0.000 0.484 375 L N 2.065 123.250 121.223 -0.065 0.000 2.127 375 L HA -0.167 4.173 4.340 0.000 0.000 0.211 375 L C 2.406 179.176 176.870 -0.166 0.000 1.089 375 L CA 1.373 56.166 54.840 -0.080 0.000 0.757 375 L CB -0.398 41.629 42.059 -0.054 0.000 0.899 375 L HN 0.669 nan 8.230 nan 0.000 0.434 376 E N 0.161 120.148 120.200 -0.354 0.000 2.233 376 E HA -0.289 4.061 4.350 0.000 0.000 0.199 376 E C 2.192 178.478 176.600 -0.524 0.000 1.004 376 E CA 1.165 57.216 56.400 -0.581 0.000 0.819 376 E CB -0.200 28.822 29.700 -1.130 0.000 0.738 376 E HN 0.574 nan 8.360 nan 0.000 0.478 377 A N 0.653 123.225 122.820 -0.413 0.000 2.121 377 A HA -0.085 4.235 4.320 0.000 0.000 0.218 377 A C 1.945 179.732 177.584 0.338 0.000 1.154 377 A CA 0.649 52.743 52.037 0.094 0.000 0.679 377 A CB -0.304 18.859 19.000 0.271 0.000 0.795 377 A HN 0.157 nan 8.150 nan 0.000 0.458 378 L N -0.267 121.033 121.223 0.128 0.000 2.610 378 L HA 0.033 4.374 4.340 0.000 0.000 0.232 378 L C 0.258 177.209 176.870 0.136 0.000 1.149 378 L CA 0.247 55.155 54.840 0.112 0.000 0.872 378 L CB -0.100 41.980 42.059 0.035 0.000 0.992 378 L HN 0.240 nan 8.230 nan 0.000 0.447 379 E N 1.085 121.419 120.200 0.223 0.000 2.989 379 E HA 0.257 4.607 4.350 0.000 0.000 0.224 379 E C -2.244 174.499 176.600 0.238 0.000 1.175 379 E CA -1.775 54.736 56.400 0.186 0.000 1.300 379 E CB 0.123 29.899 29.700 0.127 0.000 1.422 379 E HN 0.165 nan 8.360 nan 0.000 0.439 380 P HA -0.010 nan 4.420 nan 0.000 0.269 380 P C 1.091 178.389 177.300 -0.004 0.000 1.209 380 P CA -0.046 62.947 63.100 -0.178 0.000 0.776 380 P CB 1.474 33.039 31.700 -0.226 0.000 0.876 381 V N -1.563 118.376 119.914 0.041 0.000 3.565 381 V HA 0.301 4.421 4.120 0.000 0.000 0.260 381 V C 0.522 176.730 176.094 0.191 0.000 1.231 381 V CA 0.829 63.200 62.300 0.119 0.000 1.100 381 V CB -1.114 30.790 31.823 0.136 0.000 0.807 381 V HN 0.678 nan 8.190 nan 0.000 0.454 382 H N -1.106 118.029 119.070 0.108 0.000 3.003 382 H HA 0.635 5.191 4.556 0.000 0.000 0.327 382 H C -2.256 173.275 175.328 0.339 0.000 1.353 382 H CA -0.740 55.387 56.048 0.132 0.000 1.142 382 H CB 2.052 31.780 29.762 -0.055 0.000 1.864 382 H HN 0.162 nan 8.280 nan 0.000 0.529 383 Y N 1.587 121.546 120.300 -0.568 0.000 2.441 383 Y HA 0.480 5.030 4.550 0.000 0.000 0.334 383 Y C -1.728 174.023 175.900 -0.248 0.000 1.061 383 Y CA -0.644 57.350 58.100 -0.176 0.000 1.032 383 Y CB 1.629 40.009 38.460 -0.134 0.000 1.266 383 Y HN 0.634 nan 8.280 nan 0.000 0.441 384 E N 4.305 124.303 120.200 -0.338 0.000 2.312 384 E HA 0.453 4.803 4.350 0.000 0.000 0.267 384 E C -1.449 174.797 176.600 -0.590 0.000 0.894 384 E CA -0.823 55.360 56.400 -0.361 0.000 0.773 384 E CB 2.854 32.576 29.700 0.037 0.000 1.241 384 E HN 0.761 nan 8.360 nan 0.000 0.432 385 E N 0.391 120.344 120.200 -0.410 0.000 2.390 385 E HA 0.611 4.961 4.350 0.000 0.000 0.280 385 E C -1.377 175.169 176.600 -0.091 0.000 0.992 385 E CA -1.008 55.232 56.400 -0.268 0.000 0.790 385 E CB 2.018 31.491 29.700 -0.378 0.000 1.248 385 E HN 0.092 nan 8.360 nan 0.000 0.447 386 K N 1.686 122.085 120.400 -0.002 0.000 2.541 386 K HA 0.346 4.666 4.320 0.000 0.000 0.250 386 K C -1.687 174.864 176.600 -0.080 0.000 0.950 386 K CA -0.670 55.559 56.287 -0.096 0.000 0.805 386 K CB 1.556 33.968 32.500 -0.147 0.000 1.166 386 K HN 0.541 nan 8.250 nan 0.000 0.430 387 N N 4.077 122.697 118.700 -0.135 0.000 2.437 387 N HA 0.110 4.850 4.740 0.000 0.000 0.243 387 N C -0.172 175.268 175.510 -0.118 0.000 1.041 387 N CA -0.278 52.751 53.050 -0.035 0.000 0.940 387 N CB 0.271 38.752 38.487 -0.011 0.000 1.133 387 N HN 0.666 nan 8.380 nan 0.000 0.506 388 W N 2.231 123.576 121.300 0.074 0.000 2.699 388 W HA 0.037 4.697 4.660 0.000 0.000 0.249 388 W C 1.953 178.492 176.519 0.033 0.000 1.280 388 W CA -0.083 57.300 57.345 0.064 0.000 1.345 388 W CB -0.089 29.422 29.460 0.086 0.000 1.128 388 W HN 0.587 nan 8.180 nan 0.000 0.642 389 C N 0.333 119.736 119.300 0.172 0.000 2.432 389 C HA -0.156 4.304 4.460 0.000 0.000 0.282 389 C C 2.390 177.406 174.990 0.042 0.000 1.388 389 C CA 1.441 60.517 59.018 0.097 0.000 1.777 389 C CB -1.413 26.367 27.740 0.067 0.000 1.882 389 C HN 0.496 nan 8.230 nan 0.000 0.520 390 E N 0.772 120.974 120.200 0.004 0.000 2.478 390 E HA -0.020 4.330 4.350 0.000 0.000 0.194 390 E C -0.054 176.516 176.600 -0.051 0.000 1.045 390 E CA 0.358 56.737 56.400 -0.035 0.000 0.868 390 E CB -0.241 29.424 29.700 -0.058 0.000 0.885 390 E HN 0.477 nan 8.360 nan 0.000 0.505 391 E N 2.427 122.617 120.200 -0.017 0.000 1.985 391 E HA -0.055 4.295 4.350 0.000 0.000 0.268 391 E C 0.639 177.225 176.600 -0.024 0.000 1.219 391 E CA 0.097 56.498 56.400 0.001 0.000 0.942 391 E CB 1.168 30.942 29.700 0.123 0.000 1.045 391 E HN 0.412 nan 8.360 nan 0.000 0.413 392 Q N 2.835 122.550 119.800 -0.141 0.000 2.133 392 Q HA -0.235 4.105 4.340 0.000 0.000 0.208 392 Q C 0.433 176.197 176.000 -0.392 0.000 0.991 392 Q CA 1.803 57.408 55.803 -0.330 0.000 0.867 392 Q CB 0.018 28.435 28.738 -0.535 0.000 0.911 392 Q HN 0.619 nan 8.270 nan 0.000 0.417 393 Y N -1.024 119.307 120.300 0.051 0.000 2.493 393 Y HA 0.235 4.785 4.550 0.000 0.000 0.275 393 Y C 1.632 177.595 175.900 0.105 0.000 1.183 393 Y CA -0.177 57.962 58.100 0.065 0.000 1.258 393 Y CB 0.877 39.366 38.460 0.049 0.000 1.108 393 Y HN 0.091 nan 8.280 nan 0.000 0.521 394 S N -1.596 114.239 115.700 0.226 0.000 2.641 394 S HA 0.265 4.735 4.470 0.000 0.000 0.239 394 S C 1.913 176.598 174.600 0.142 0.000 1.081 394 S CA 0.593 58.926 58.200 0.223 0.000 0.904 394 S CB 0.589 64.001 63.200 0.354 0.000 0.803 394 S HN 0.565 nan 8.310 nan 0.000 0.510 395 G N 1.046 109.911 108.800 0.108 0.000 2.253 395 G HA2 0.049 4.009 3.960 0.000 0.000 0.251 395 G HA3 0.049 4.009 3.960 0.000 0.000 0.251 395 G C 0.485 175.430 174.900 0.075 0.000 0.998 395 G CA 0.044 45.177 45.100 0.054 0.000 0.621 395 G HN 1.360 nan 8.290 nan 0.000 0.524 396 G N -2.320 106.564 108.800 0.141 0.000 2.352 396 G HA2 0.522 4.482 3.960 0.000 0.000 0.283 396 G HA3 0.522 4.482 3.960 0.000 0.000 0.283 396 G C -0.979 174.001 174.900 0.135 0.000 1.308 396 G CA 0.342 45.535 45.100 0.154 0.000 0.892 396 G HN 1.449 nan 8.290 nan 0.000 0.504 397 C N -1.739 117.590 119.300 0.048 0.000 3.311 397 C HA 0.598 5.058 4.460 0.000 0.000 0.325 397 C C 0.880 175.707 174.990 -0.272 0.000 1.352 397 C CA -0.603 58.366 59.018 -0.081 0.000 1.308 397 C CB 0.753 28.356 27.740 -0.229 0.000 1.619 397 C HN 0.727 nan 8.230 nan 0.000 0.469 398 Y N 0.539 120.781 120.300 -0.096 0.000 2.263 398 Y HA 0.181 4.731 4.550 0.000 0.000 0.292 398 Y C 1.618 177.493 175.900 -0.041 0.000 1.130 398 Y CA 1.401 59.414 58.100 -0.144 0.000 1.179 398 Y CB -0.472 37.878 38.460 -0.183 0.000 0.998 398 Y HN 0.700 nan 8.280 nan 0.000 0.532 399 T N -2.049 112.607 114.554 0.170 0.000 2.645 399 T HA 0.346 4.696 4.350 0.000 0.000 0.300 399 T C -0.787 174.027 174.700 0.190 0.000 1.210 399 T CA -0.701 61.535 62.100 0.227 0.000 1.034 399 T CB 1.102 70.205 68.868 0.391 0.000 1.537 399 T HN -0.156 nan 8.240 nan 0.000 0.492 400 T N 2.536 117.219 114.554 0.215 0.000 2.794 400 T HA 0.490 4.840 4.350 0.000 0.000 0.296 400 T C -0.797 173.963 174.700 0.100 0.000 0.949 400 T CA -0.007 62.120 62.100 0.045 0.000 1.101 400 T CB -0.480 68.408 68.868 0.033 0.000 0.905 400 T HN 0.456 nan 8.240 nan 0.000 0.516 401 Y N 1.239 121.370 120.300 -0.282 0.000 2.568 401 Y HA 0.805 5.355 4.550 0.000 0.000 0.327 401 Y C -1.154 174.210 175.900 -0.894 0.000 1.163 401 Y CA -2.241 55.331 58.100 -0.879 0.000 1.219 401 Y CB 0.798 38.821 38.460 -0.729 0.000 1.308 401 Y HN 0.423 nan 8.280 nan 0.000 0.503 402 F N 3.188 122.413 119.950 -1.208 0.000 2.403 402 F HA 0.552 5.079 4.527 0.000 0.000 0.355 402 F C -2.313 173.360 175.800 -0.212 0.000 1.119 402 F CA -2.490 55.110 58.000 -0.666 0.000 1.007 402 F CB 1.566 40.151 39.000 -0.692 0.000 1.194 402 F HN 0.352 nan 8.300 nan 0.000 0.443 403 P HA 0.150 nan 4.420 nan 0.000 0.274 403 P C -2.630 174.770 177.300 0.165 0.000 1.260 403 P CA -1.459 61.723 63.100 0.136 0.000 0.793 403 P CB -0.238 31.505 31.700 0.071 0.000 1.048 404 P HA 0.037 nan 4.420 nan 0.000 0.268 404 P C 0.851 178.244 177.300 0.155 0.000 1.204 404 P CA 1.032 64.236 63.100 0.173 0.000 0.768 404 P CB -0.070 31.718 31.700 0.147 0.000 0.842 405 G N 2.754 111.661 108.800 0.178 0.000 2.217 405 G HA2 -0.261 3.699 3.960 0.000 0.000 0.246 405 G HA3 -0.261 3.699 3.960 0.000 0.000 0.246 405 G C 0.822 175.842 174.900 0.200 0.000 0.990 405 G CA 0.101 45.297 45.100 0.160 0.000 0.627 405 G HN 0.421 nan 8.290 nan 0.000 0.522 406 I N 0.257 120.976 120.570 0.249 0.000 2.235 406 I HA 0.075 4.245 4.170 0.000 0.000 0.241 406 I C 2.682 179.037 176.117 0.398 0.000 1.085 406 I CA 1.474 62.980 61.300 0.344 0.000 1.378 406 I CB -1.270 36.883 38.000 0.255 0.000 1.076 406 I HN 0.280 nan 8.210 nan 0.000 0.415 407 L N 1.116 122.544 121.223 0.342 0.000 2.042 407 L HA -0.214 4.126 4.340 0.000 0.000 0.210 407 L C 2.659 179.593 176.870 0.108 0.000 1.076 407 L CA 2.551 57.451 54.840 0.101 0.000 0.749 407 L CB -1.067 40.959 42.059 -0.055 0.000 0.893 407 L HN 0.452 nan 8.230 nan 0.000 0.432 408 T N -4.394 110.240 114.554 0.133 0.000 2.904 408 T HA -0.130 4.220 4.350 0.000 0.000 0.267 408 T C 1.783 176.445 174.700 -0.062 0.000 1.059 408 T CA 0.849 63.002 62.100 0.088 0.000 1.137 408 T CB -0.268 68.658 68.868 0.096 0.000 0.879 408 T HN 0.351 nan 8.240 nan 0.000 0.467 409 Q N -0.127 119.639 119.800 -0.056 0.000 2.163 409 Q HA 0.125 4.465 4.340 0.000 0.000 0.198 409 Q C 1.033 176.739 176.000 -0.490 0.000 0.954 409 Q CA 1.141 56.774 55.803 -0.285 0.000 0.851 409 Q CB 0.023 28.578 28.738 -0.305 0.000 0.928 409 Q HN 0.760 nan 8.270 nan 0.000 0.459 410 Y N -1.577 118.663 120.300 -0.101 0.000 2.471 410 Y HA 0.264 4.814 4.550 0.000 0.000 0.249 410 Y C 1.985 177.781 175.900 -0.173 0.000 1.116 410 Y CA 0.077 58.106 58.100 -0.119 0.000 1.240 410 Y CB 0.309 38.744 38.460 -0.041 0.000 1.251 410 Y HN 0.086 nan 8.280 nan 0.000 0.527 411 G N 0.769 109.491 108.800 -0.129 0.000 2.442 411 G HA2 -0.258 3.702 3.960 0.000 0.000 0.219 411 G HA3 -0.258 3.702 3.960 0.000 0.000 0.219 411 G C 1.653 176.188 174.900 -0.608 0.000 1.141 411 G CA 0.803 45.762 45.100 -0.235 0.000 0.763 411 G HN 0.288 nan 8.290 nan 0.000 0.554 412 R N -0.156 119.658 120.500 -1.144 0.000 2.154 412 R HA -0.106 4.234 4.340 0.000 0.000 0.248 412 R C 2.564 178.642 176.300 -0.370 0.000 1.155 412 R CA 1.572 57.065 56.100 -1.011 0.000 0.979 412 R CB -0.381 29.438 30.300 -0.801 0.000 0.869 412 R HN 0.516 nan 8.270 nan 0.000 0.452 413 V N -2.240 117.521 119.914 -0.255 0.000 3.608 413 V HA 0.048 4.168 4.120 0.000 0.000 0.269 413 V C 1.749 177.758 176.094 -0.141 0.000 1.245 413 V CA 0.405 62.612 62.300 -0.155 0.000 1.138 413 V CB -0.098 31.641 31.823 -0.140 0.000 0.841 413 V HN 0.054 nan 8.190 nan 0.000 0.451 414 L N 2.426 123.610 121.223 -0.066 0.000 2.043 414 L HA -0.110 4.230 4.340 0.000 0.000 0.212 414 L C 2.577 179.423 176.870 -0.039 0.000 1.075 414 L CA 2.675 57.501 54.840 -0.023 0.000 0.752 414 L CB -0.462 41.683 42.059 0.144 0.000 0.891 414 L HN 0.693 nan 8.230 nan 0.000 0.432 415 R N -1.423 119.134 120.500 0.095 0.000 2.565 415 R HA 0.188 4.528 4.340 0.000 0.000 0.347 415 R C 0.529 176.984 176.300 0.258 0.000 1.010 415 R CA -0.294 55.950 56.100 0.240 0.000 1.126 415 R CB -0.332 30.165 30.300 0.328 0.000 1.331 415 R HN 0.269 nan 8.270 nan 0.000 0.552 416 Q N 2.900 122.775 119.800 0.124 0.000 2.271 416 Q HA 0.163 4.503 4.340 0.000 0.000 0.273 416 Q C -2.004 174.102 176.000 0.177 0.000 1.051 416 Q CA -2.021 53.849 55.803 0.111 0.000 0.901 416 Q CB 0.767 29.514 28.738 0.015 0.000 1.174 416 Q HN 0.046 nan 8.270 nan 0.000 0.385 417 P HA -0.096 nan 4.420 nan 0.000 0.266 417 P C -1.192 176.096 177.300 -0.020 0.000 1.193 417 P CA 0.139 63.147 63.100 -0.155 0.000 0.770 417 P CB 0.536 31.883 31.700 -0.588 0.000 0.836 418 V N 3.401 123.324 119.914 0.014 0.000 2.275 418 V HA 0.132 4.252 4.120 0.000 0.000 0.272 418 V C 0.773 176.830 176.094 -0.062 0.000 1.028 418 V CA 0.165 62.469 62.300 0.007 0.000 0.810 418 V CB 0.029 31.892 31.823 0.066 0.000 1.043 418 V HN 0.796 nan 8.190 nan 0.000 0.453 419 D N 4.166 124.531 120.400 -0.058 0.000 4.372 419 D HA -0.319 4.321 4.640 0.000 0.000 0.169 419 D C 1.368 177.656 176.300 -0.019 0.000 0.680 419 D CA 2.509 56.494 54.000 -0.025 0.000 1.152 419 D CB -0.308 40.489 40.800 -0.005 0.000 0.585 419 D HN 0.547 nan 8.370 nan 0.000 0.493 420 R N -0.234 120.280 120.500 0.023 0.000 2.432 420 R HA 0.443 4.783 4.340 0.000 0.000 0.260 420 R C -0.183 176.231 176.300 0.190 0.000 0.935 420 R CA -0.171 56.035 56.100 0.176 0.000 1.080 420 R CB 0.431 30.760 30.300 0.049 0.000 1.155 420 R HN 0.296 nan 8.270 nan 0.000 0.531 421 I N 1.290 121.825 120.570 -0.057 0.000 2.315 421 I HA 0.202 4.372 4.170 0.000 0.000 0.291 421 I C -0.602 175.191 176.117 -0.540 0.000 1.006 421 I CA -0.632 60.552 61.300 -0.193 0.000 1.265 421 I CB 0.658 38.521 38.000 -0.228 0.000 1.387 421 I HN -0.095 nan 8.210 nan 0.000 0.475 422 Y N 5.456 125.507 120.300 -0.415 0.000 2.457 422 Y HA 0.531 5.081 4.550 0.000 0.000 0.333 422 Y C -0.483 175.034 175.900 -0.637 0.000 1.119 422 Y CA -0.724 57.144 58.100 -0.387 0.000 1.143 422 Y CB 1.332 39.706 38.460 -0.144 0.000 1.230 422 Y HN 0.282 nan 8.280 nan 0.000 0.469 423 F N 1.467 121.527 119.950 0.183 0.000 2.426 423 F HA 0.721 5.248 4.527 0.000 0.000 0.348 423 F C 0.421 176.302 175.800 0.134 0.000 1.124 423 F CA -0.565 57.517 58.000 0.137 0.000 1.008 423 F CB 1.037 40.101 39.000 0.107 0.000 1.139 423 F HN 0.598 nan 8.300 nan 0.000 0.452 424 A N 2.186 125.152 122.820 0.243 0.000 3.521 424 A HA 0.969 5.289 4.320 0.000 0.000 0.181 424 A C 0.302 178.015 177.584 0.215 0.000 1.386 424 A CA -0.475 51.670 52.037 0.180 0.000 0.873 424 A CB 0.191 19.254 19.000 0.104 0.000 1.634 424 A HN 1.504 nan 8.150 nan 0.000 0.551 425 G N -2.369 106.536 108.800 0.175 0.000 2.777 425 G HA2 0.101 4.061 3.960 0.000 0.000 0.686 425 G HA3 0.101 4.061 3.960 0.000 0.000 0.686 425 G C 0.456 175.486 174.900 0.217 0.000 1.177 425 G CA 0.652 45.863 45.100 0.185 0.000 0.775 425 G HN 1.664 nan 8.290 nan 0.000 0.613 426 T N 0.080 114.765 114.554 0.217 0.000 2.849 426 T HA -0.104 4.246 4.350 0.000 0.000 0.270 426 T C 2.071 176.976 174.700 0.343 0.000 1.066 426 T CA 2.686 64.943 62.100 0.261 0.000 1.130 426 T CB -0.175 68.845 68.868 0.253 0.000 0.864 426 T HN 0.622 nan 8.240 nan 0.000 0.481 427 E N 0.512 120.923 120.200 0.352 0.000 2.265 427 E HA -0.054 4.296 4.350 0.000 0.000 0.196 427 E C 2.269 179.137 176.600 0.446 0.000 0.996 427 E CA 1.517 58.181 56.400 0.441 0.000 0.832 427 E CB -0.201 29.722 29.700 0.371 0.000 0.756 427 E HN 0.708 nan 8.360 nan 0.000 0.491 428 T N -2.325 112.450 114.554 0.368 0.000 3.129 428 T HA 0.416 4.766 4.350 0.000 0.000 0.251 428 T C 0.794 175.736 174.700 0.403 0.000 1.117 428 T CA 0.031 62.350 62.100 0.364 0.000 1.034 428 T CB 0.136 69.195 68.868 0.319 0.000 0.968 428 T HN 0.096 nan 8.240 nan 0.000 0.526 429 A N 1.664 124.727 122.820 0.405 0.000 2.313 429 A HA 0.557 4.877 4.320 0.000 0.000 0.261 429 A C 1.530 179.385 177.584 0.451 0.000 1.090 429 A CA 0.044 52.318 52.037 0.396 0.000 0.807 429 A CB 0.447 19.637 19.000 0.317 0.000 1.055 429 A HN 0.481 nan 8.150 nan 0.000 0.492 430 T N -2.545 112.252 114.554 0.404 0.000 3.023 430 T HA 0.219 4.569 4.350 0.000 0.000 0.253 430 T C 0.287 175.086 174.700 0.166 0.000 1.038 430 T CA 0.781 63.074 62.100 0.321 0.000 0.962 430 T CB -0.341 68.661 68.868 0.223 0.000 1.018 430 T HN 0.742 nan 8.240 nan 0.000 0.521 431 H N -1.013 118.072 119.070 0.025 0.000 3.108 431 H HA 0.283 4.839 4.556 0.000 0.000 0.329 431 H C -1.056 174.261 175.328 -0.017 0.000 0.978 431 H CA -1.129 54.853 56.048 -0.110 0.000 1.413 431 H CB 0.719 30.491 29.762 0.016 0.000 1.670 431 H HN 0.321 nan 8.280 nan 0.000 0.512 432 W N 2.017 123.061 121.300 -0.426 0.000 4.706 432 W HA -0.246 4.414 4.660 0.000 0.000 0.366 432 W C 0.424 176.855 176.519 -0.146 0.000 1.382 432 W CA 0.862 57.901 57.345 -0.509 0.000 0.832 432 W CB -1.817 27.260 29.460 -0.638 0.000 2.504 432 W HN 0.399 nan 8.180 nan 0.000 1.403 433 S N 0.549 116.259 115.700 0.016 0.000 2.558 433 S HA 0.394 4.864 4.470 0.000 0.000 0.288 433 S C 1.442 176.264 174.600 0.370 0.000 1.318 433 S CA 1.751 60.098 58.200 0.244 0.000 1.056 433 S CB 0.850 64.264 63.200 0.357 0.000 0.853 433 S HN 1.501 nan 8.310 nan 0.000 0.505 434 G N 2.822 111.916 108.800 0.490 0.000 2.217 434 G HA2 -0.216 3.744 3.960 0.000 0.000 0.246 434 G HA3 -0.216 3.744 3.960 0.000 0.000 0.246 434 G C -0.177 174.885 174.900 0.271 0.000 0.990 434 G CA 0.402 45.802 45.100 0.499 0.000 0.627 434 G HN 0.681 nan 8.290 nan 0.000 0.522 435 Y N -0.428 119.983 120.300 0.185 0.000 2.602 435 Y HA 0.722 5.272 4.550 0.000 0.000 0.330 435 Y C 2.027 177.968 175.900 0.068 0.000 1.114 435 Y CA -0.803 57.355 58.100 0.097 0.000 1.182 435 Y CB 0.659 39.157 38.460 0.064 0.000 1.305 435 Y HN -0.024 nan 8.280 nan 0.000 0.502 436 M N -0.147 119.564 119.600 0.186 0.000 2.144 436 M HA -0.231 4.249 4.480 0.000 0.000 0.260 436 M C 1.834 178.197 176.300 0.104 0.000 1.067 436 M CA 2.010 57.381 55.300 0.119 0.000 1.095 436 M CB -0.252 32.409 32.600 0.102 0.000 1.365 436 M HN 0.786 nan 8.290 nan 0.000 0.406 437 E N 0.682 120.924 120.200 0.071 0.000 2.023 437 E HA -0.156 4.194 4.350 0.000 0.000 0.196 437 E C 1.966 178.628 176.600 0.103 0.000 1.003 437 E CA 2.134 58.538 56.400 0.007 0.000 0.809 437 E CB -0.794 28.780 29.700 -0.211 0.000 0.755 437 E HN 0.428 nan 8.360 nan 0.000 0.449 438 G N 0.072 108.984 108.800 0.188 0.000 2.475 438 G HA2 -0.273 3.687 3.960 0.000 0.000 0.220 438 G HA3 -0.273 3.687 3.960 0.000 0.000 0.220 438 G C 1.687 176.701 174.900 0.190 0.000 1.125 438 G CA 1.374 46.606 45.100 0.220 0.000 0.755 438 G HN 0.486 nan 8.290 nan 0.000 0.565 439 A N 0.109 123.029 122.820 0.166 0.000 1.877 439 A HA 0.076 4.396 4.320 0.000 0.000 0.216 439 A C 2.608 180.251 177.584 0.098 0.000 1.186 439 A CA 1.872 53.989 52.037 0.133 0.000 0.620 439 A CB -0.607 18.460 19.000 0.111 0.000 0.822 439 A HN 0.279 nan 8.150 nan 0.000 0.443 440 V N 0.236 120.198 119.914 0.081 0.000 2.427 440 V HA -0.244 3.876 4.120 0.000 0.000 0.248 440 V C 2.526 178.654 176.094 0.056 0.000 1.051 440 V CA 2.172 64.504 62.300 0.053 0.000 1.048 440 V CB -0.734 31.113 31.823 0.040 0.000 0.666 440 V HN 0.757 nan 8.190 nan 0.000 0.456 441 E N 0.757 121.010 120.200 0.088 0.000 2.031 441 E HA -0.248 4.102 4.350 0.000 0.000 0.193 441 E C 2.249 178.883 176.600 0.056 0.000 0.994 441 E CA 1.626 58.084 56.400 0.098 0.000 0.800 441 E CB -0.209 29.597 29.700 0.176 0.000 0.752 441 E HN 0.524 nan 8.360 nan 0.000 0.447 442 A N 0.740 123.619 122.820 0.098 0.000 1.972 442 A HA -0.074 4.246 4.320 0.000 0.000 0.219 442 A C 2.362 179.962 177.584 0.027 0.000 1.169 442 A CA 1.741 53.826 52.037 0.080 0.000 0.635 442 A CB -0.983 18.114 19.000 0.163 0.000 0.810 442 A HN 0.464 nan 8.150 nan 0.000 0.446 443 G N -0.436 108.384 108.800 0.033 0.000 2.404 443 G HA2 -0.168 3.792 3.960 0.000 0.000 0.214 443 G HA3 -0.168 3.792 3.960 0.000 0.000 0.214 443 G C 1.419 176.300 174.900 -0.033 0.000 1.189 443 G CA 0.850 45.957 45.100 0.010 0.000 0.789 443 G HN 0.628 nan 8.290 nan 0.000 0.533 444 E N -0.105 120.072 120.200 -0.038 0.000 2.110 444 E HA -0.096 4.254 4.350 0.000 0.000 0.193 444 E C 2.551 179.073 176.600 -0.131 0.000 0.988 444 E CA 0.338 56.699 56.400 -0.066 0.000 0.804 444 E CB -0.083 29.594 29.700 -0.039 0.000 0.745 444 E HN 0.209 nan 8.360 nan 0.000 0.458 445 R N 1.190 121.577 120.500 -0.188 0.000 2.075 445 R HA -0.056 4.284 4.340 0.000 0.000 0.232 445 R C 2.070 178.192 176.300 -0.297 0.000 1.126 445 R CA 1.390 57.269 56.100 -0.368 0.000 0.963 445 R CB -0.269 29.629 30.300 -0.670 0.000 0.858 445 R HN 0.144 nan 8.270 nan 0.000 0.435 446 A N 0.831 123.547 122.820 -0.173 0.000 1.930 446 A HA -0.020 4.300 4.320 0.000 0.000 0.217 446 A C 2.395 179.863 177.584 -0.194 0.000 1.175 446 A CA 1.612 53.582 52.037 -0.111 0.000 0.627 446 A CB -0.658 18.334 19.000 -0.014 0.000 0.815 446 A HN 0.478 nan 8.150 nan 0.000 0.443 447 A N -0.203 122.521 122.820 -0.161 0.000 1.940 447 A HA -0.175 4.145 4.320 0.000 0.000 0.219 447 A C 2.254 179.710 177.584 -0.214 0.000 1.176 447 A CA 1.604 53.538 52.037 -0.172 0.000 0.631 447 A CB -0.417 18.518 19.000 -0.108 0.000 0.814 447 A HN 0.548 nan 8.150 nan 0.000 0.446 448 R N -0.676 119.703 120.500 -0.202 0.000 2.119 448 R HA -0.026 4.314 4.340 0.000 0.000 0.222 448 R C 2.030 178.210 176.300 -0.199 0.000 1.088 448 R CA 1.081 57.072 56.100 -0.181 0.000 0.984 448 R CB -0.196 30.010 30.300 -0.156 0.000 0.884 448 R HN 0.667 nan 8.270 nan 0.000 0.447 449 E N 0.754 120.802 120.200 -0.254 0.000 2.085 449 E HA -0.199 4.151 4.350 0.000 0.000 0.194 449 E C 1.946 178.249 176.600 -0.495 0.000 0.994 449 E CA 1.156 57.406 56.400 -0.250 0.000 0.801 449 E CB -0.068 29.531 29.700 -0.169 0.000 0.743 449 E HN 0.322 nan 8.360 nan 0.000 0.453 450 I N 0.946 121.065 120.570 -0.752 0.000 2.252 450 I HA -0.278 3.892 4.170 0.000 0.000 0.245 450 I C 2.343 178.115 176.117 -0.575 0.000 1.102 450 I CA 0.909 61.646 61.300 -0.938 0.000 1.385 450 I CB -0.207 37.278 38.000 -0.858 0.000 1.064 450 I HN 0.129 nan 8.210 nan 0.000 0.414 451 L N 0.023 121.042 121.223 -0.340 0.000 2.079 451 L HA -0.287 4.053 4.340 0.000 0.000 0.210 451 L C 2.706 179.497 176.870 -0.132 0.000 1.081 451 L CA 1.682 56.404 54.840 -0.197 0.000 0.752 451 L CB -0.895 41.090 42.059 -0.124 0.000 0.896 451 L HN 0.381 nan 8.230 nan 0.000 0.433 452 H N -0.059 118.902 119.070 -0.182 0.000 2.395 452 H HA -0.062 4.494 4.556 0.000 0.000 0.299 452 H C 2.122 177.394 175.328 -0.094 0.000 1.070 452 H CA 1.311 57.297 56.048 -0.104 0.000 1.356 452 H CB 0.083 29.807 29.762 -0.063 0.000 1.401 452 H HN 0.235 nan 8.280 nan 0.000 0.524 453 A N 0.729 123.365 122.820 -0.307 0.000 1.940 453 A HA -0.156 4.164 4.320 0.000 0.000 0.219 453 A C 2.264 179.741 177.584 -0.179 0.000 1.176 453 A CA 1.830 53.709 52.037 -0.264 0.000 0.631 453 A CB -0.645 18.216 19.000 -0.230 0.000 0.814 453 A HN 0.575 nan 8.150 nan 0.000 0.446 454 M N -1.296 118.187 119.600 -0.196 0.000 2.618 454 M HA 0.159 4.639 4.480 0.000 0.000 0.240 454 M C 1.310 177.567 176.300 -0.072 0.000 1.123 454 M CA 0.751 56.010 55.300 -0.068 0.000 1.060 454 M CB 0.139 32.704 32.600 -0.057 0.000 1.535 454 M HN 0.632 nan 8.290 nan 0.000 0.507 455 G N 1.055 109.778 108.800 -0.129 0.000 2.143 455 G HA2 -0.265 3.695 3.960 0.000 0.000 0.249 455 G HA3 -0.265 3.695 3.960 0.000 0.000 0.249 455 G C 0.836 175.710 174.900 -0.044 0.000 0.981 455 G CA 0.374 45.419 45.100 -0.092 0.000 0.665 455 G HN 0.479 nan 8.290 nan 0.000 0.528 456 K N -0.444 119.928 120.400 -0.045 0.000 2.361 456 K HA 0.346 4.666 4.320 0.000 0.000 0.196 456 K C 1.173 177.771 176.600 -0.004 0.000 1.039 456 K CA 1.229 57.500 56.287 -0.026 0.000 1.001 456 K CB 0.318 32.795 32.500 -0.039 0.000 0.795 456 K HN 0.812 nan 8.250 nan 0.000 0.495 457 I N -2.053 118.530 120.570 0.021 0.000 2.894 457 I HA 0.428 4.598 4.170 0.000 0.000 0.302 457 I C -2.985 173.199 176.117 0.112 0.000 1.188 457 I CA -2.872 58.455 61.300 0.044 0.000 1.014 457 I CB 2.323 40.336 38.000 0.022 0.000 1.242 457 I HN -0.248 nan 8.210 nan 0.000 0.430 458 P HA 0.099 nan 4.420 nan 0.000 0.274 458 P C 0.216 177.547 177.300 0.051 0.000 1.246 458 P CA -0.036 63.131 63.100 0.111 0.000 0.795 458 P CB 1.100 32.834 31.700 0.057 0.000 1.006 459 E N 0.550 120.713 120.200 -0.061 0.000 2.160 459 E HA -0.222 4.128 4.350 0.000 0.000 0.195 459 E C 0.865 177.401 176.600 -0.106 0.000 0.991 459 E CA 1.438 57.641 56.400 -0.329 0.000 0.810 459 E CB -0.049 29.439 29.700 -0.354 0.000 0.742 459 E HN 0.469 nan 8.360 nan 0.000 0.466 460 D N -0.505 119.882 120.400 -0.022 0.000 2.349 460 D HA -0.096 4.544 4.640 0.000 0.000 0.224 460 D C 0.840 177.167 176.300 0.045 0.000 1.029 460 D CA 0.353 54.369 54.000 0.027 0.000 0.879 460 D CB -0.112 40.702 40.800 0.024 0.000 0.906 460 D HN 0.231 nan 8.370 nan 0.000 0.528 461 E N -0.274 119.940 120.200 0.023 0.000 2.474 461 E HA 0.197 4.547 4.350 0.000 0.000 0.195 461 E C 1.841 178.441 176.600 0.001 0.000 1.039 461 E CA -0.258 56.156 56.400 0.023 0.000 0.881 461 E CB 0.274 29.981 29.700 0.012 0.000 0.970 461 E HN 0.254 nan 8.360 nan 0.000 0.486 462 I N -0.050 120.514 120.570 -0.009 0.000 2.127 462 I HA -0.201 3.969 4.170 0.000 0.000 0.241 462 I C 0.424 176.419 176.117 -0.202 0.000 1.075 462 I CA 1.198 62.430 61.300 -0.112 0.000 1.334 462 I CB 0.006 37.942 38.000 -0.107 0.000 1.040 462 I HN 0.113 nan 8.210 nan 0.000 0.405 463 W N 1.404 122.704 121.300 0.001 0.000 2.349 463 W HA 0.510 5.170 4.660 0.000 0.000 0.309 463 W C 0.055 176.580 176.519 0.011 0.000 1.083 463 W CA -0.241 57.114 57.345 0.017 0.000 1.224 463 W CB 0.705 30.176 29.460 0.018 0.000 1.256 463 W HN -0.029 nan 8.180 nan 0.000 0.461 464 Q N 2.726 122.651 119.800 0.209 0.000 2.304 464 Q HA 0.441 4.781 4.340 0.000 0.000 0.270 464 Q C 0.012 176.091 176.000 0.132 0.000 1.035 464 Q CA -0.505 55.374 55.803 0.127 0.000 0.781 464 Q CB 1.624 30.399 28.738 0.061 0.000 1.261 464 Q HN 0.516 nan 8.270 nan 0.000 0.444 465 S N 2.412 118.174 115.700 0.104 0.000 2.624 465 S HA 0.433 4.903 4.470 0.000 0.000 0.263 465 S C -0.217 174.427 174.600 0.072 0.000 1.287 465 S CA -0.613 57.639 58.200 0.087 0.000 0.990 465 S CB 1.383 64.617 63.200 0.056 0.000 0.950 465 S HN 0.681 nan 8.310 nan 0.000 0.561 466 E N 0.612 120.856 120.200 0.074 0.000 2.210 466 E HA 0.583 4.933 4.350 0.000 0.000 0.266 466 E C -2.828 173.803 176.600 0.052 0.000 0.883 466 E CA -2.177 54.262 56.400 0.065 0.000 0.761 466 E CB 1.000 30.750 29.700 0.083 0.000 1.156 466 E HN 0.531 nan 8.360 nan 0.000 0.412 467 P HA 0.038 nan 4.420 nan 0.000 0.266 467 P C -0.840 176.480 177.300 0.033 0.000 1.195 467 P CA -0.066 63.053 63.100 0.031 0.000 0.768 467 P CB 0.479 32.194 31.700 0.024 0.000 0.838 468 E N 2.191 122.408 120.200 0.030 0.000 2.366 468 E HA 0.056 4.406 4.350 0.000 0.000 0.266 468 E C -0.112 176.500 176.600 0.020 0.000 1.015 468 E CA -0.247 56.170 56.400 0.029 0.000 0.906 468 E CB 0.307 30.023 29.700 0.025 0.000 0.979 468 E HN 0.371 nan 8.360 nan 0.000 0.443 469 S N 3.071 118.781 115.700 0.016 0.000 2.642 469 S HA -0.099 4.371 4.470 0.000 0.000 0.308 469 S C 1.235 175.840 174.600 0.008 0.000 1.255 469 S CA 0.118 58.323 58.200 0.010 0.000 1.057 469 S CB 0.461 63.660 63.200 -0.001 0.000 0.785 469 S HN 0.534 nan 8.310 nan 0.000 0.500 470 V N 1.939 121.859 119.914 0.010 0.000 3.041 470 V HA 0.069 4.189 4.120 0.000 0.000 0.260 470 V C 1.393 177.491 176.094 0.007 0.000 1.105 470 V CA 1.426 63.731 62.300 0.009 0.000 1.125 470 V CB -0.439 31.390 31.823 0.010 0.000 0.730 470 V HN 0.782 nan 8.190 nan 0.000 0.479 471 D N 0.782 121.186 120.400 0.006 0.000 2.324 471 D HA 0.152 4.792 4.640 0.000 0.000 0.212 471 D C 0.758 177.054 176.300 -0.006 0.000 0.984 471 D CA 0.897 54.900 54.000 0.005 0.000 0.885 471 D CB 1.070 41.877 40.800 0.011 0.000 0.996 471 D HN 0.494 nan 8.370 nan 0.000 0.505 472 V N 3.584 123.489 119.914 -0.014 0.000 2.320 472 V HA 0.239 4.359 4.120 0.000 0.000 0.257 472 V C -2.483 173.598 176.094 -0.022 0.000 0.996 472 V CA -1.255 61.027 62.300 -0.030 0.000 0.928 472 V CB 1.132 32.920 31.823 -0.058 0.000 1.169 472 V HN -0.066 nan 8.190 nan 0.000 0.475 473 P HA 0.517 nan 4.420 nan 0.000 0.279 473 P C -0.425 176.873 177.300 -0.002 0.000 1.252 473 P CA -0.369 62.729 63.100 -0.003 0.000 0.811 473 P CB 1.264 32.965 31.700 0.001 0.000 1.035 474 A N 2.255 125.080 122.820 0.008 0.000 2.276 474 A HA 0.284 4.604 4.320 0.000 0.000 0.300 474 A C 0.159 177.749 177.584 0.010 0.000 1.235 474 A CA -0.443 51.603 52.037 0.014 0.000 0.867 474 A CB -0.160 18.861 19.000 0.034 0.000 1.137 474 A HN 0.420 nan 8.150 nan 0.000 0.527 475 Q N 3.147 122.951 119.800 0.006 0.000 2.288 475 Q HA 0.296 4.636 4.340 0.000 0.000 0.254 475 Q C -2.218 173.786 176.000 0.005 0.000 0.932 475 Q CA -1.603 54.202 55.803 0.004 0.000 0.902 475 Q CB 0.889 29.627 28.738 0.001 0.000 1.203 475 Q HN 0.586 nan 8.270 nan 0.000 0.415 476 P HA 0.155 nan 4.420 nan 0.000 0.272 476 P C -0.351 176.947 177.300 -0.003 0.000 1.230 476 P CA -0.314 62.786 63.100 -0.001 0.000 0.788 476 P CB 0.805 32.503 31.700 -0.003 0.000 0.949 477 I N 2.093 122.657 120.570 -0.010 0.000 2.301 477 I HA 0.161 4.331 4.170 0.000 0.000 0.292 477 I C 1.083 177.192 176.117 -0.013 0.000 1.046 477 I CA 0.117 61.410 61.300 -0.012 0.000 1.282 477 I CB 0.003 37.989 38.000 -0.023 0.000 1.409 477 I HN 0.398 nan 8.210 nan 0.000 0.484 478 T N 2.162 116.713 114.554 -0.005 0.000 2.918 478 T HA 0.775 5.125 4.350 0.000 0.000 0.286 478 T C 0.151 174.852 174.700 0.001 0.000 1.026 478 T CA -0.644 61.456 62.100 -0.001 0.000 1.031 478 T CB 2.214 71.087 68.868 0.008 0.000 1.046 478 T HN 0.591 nan 8.240 nan 0.000 0.479 479 T N -1.055 113.499 114.554 0.000 0.000 2.927 479 T HA 0.768 5.118 4.350 0.000 0.000 0.286 479 T C 0.242 174.959 174.700 0.028 0.000 1.040 479 T CA -0.640 61.460 62.100 0.001 0.000 1.010 479 T CB 1.300 70.148 68.868 -0.032 0.000 1.177 479 T HN 1.022 nan 8.240 nan 0.000 0.546 480 T N -0.973 113.604 114.554 0.039 0.000 2.945 480 T HA 0.466 4.816 4.350 0.000 0.000 0.286 480 T C 0.780 175.550 174.700 0.117 0.000 1.025 480 T CA -0.856 61.298 62.100 0.089 0.000 1.039 480 T CB 0.985 69.906 68.868 0.089 0.000 1.068 480 T HN 0.485 nan 8.240 nan 0.000 0.497 481 F N 1.315 121.289 119.950 0.040 0.000 2.045 481 F HA -0.153 4.374 4.527 0.000 0.000 0.297 481 F C 1.888 177.747 175.800 0.098 0.000 1.114 481 F CA 1.757 59.813 58.000 0.093 0.000 1.207 481 F CB -0.700 38.360 39.000 0.100 0.000 0.964 481 F HN 0.568 nan 8.300 nan 0.000 0.486 482 L N -0.272 121.010 121.223 0.098 0.000 2.056 482 L HA -0.198 4.142 4.340 0.000 0.000 0.207 482 L C 2.361 179.205 176.870 -0.044 0.000 1.078 482 L CA 1.646 56.487 54.840 0.001 0.000 0.749 482 L CB -0.931 41.189 42.059 0.102 0.000 0.901 482 L HN 0.162 nan 8.230 nan 0.000 0.433 483 E N 0.135 120.333 120.200 -0.005 0.000 2.097 483 E HA -0.266 4.084 4.350 0.000 0.000 0.196 483 E C 2.388 178.892 176.600 -0.160 0.000 1.000 483 E CA 1.374 57.750 56.400 -0.041 0.000 0.804 483 E CB -0.086 29.607 29.700 -0.012 0.000 0.740 483 E HN 0.402 nan 8.360 nan 0.000 0.454 484 R N -0.548 119.791 120.500 -0.268 0.000 2.075 484 R HA -0.052 4.288 4.340 0.000 0.000 0.232 484 R C 1.685 177.587 176.300 -0.662 0.000 1.126 484 R CA 1.055 56.854 56.100 -0.502 0.000 0.963 484 R CB 0.045 29.950 30.300 -0.659 0.000 0.858 484 R HN 0.303 nan 8.270 nan 0.000 0.435 485 H N -0.905 117.960 119.070 -0.342 0.000 2.893 485 H HA 0.211 4.767 4.556 0.000 0.000 0.270 485 H C 0.151 175.348 175.328 -0.219 0.000 1.095 485 H CA -0.200 55.644 56.048 -0.340 0.000 1.186 485 H CB 0.494 29.905 29.762 -0.585 0.000 1.562 485 H HN 0.030 nan 8.280 nan 0.000 0.536 486 L N 4.567 125.738 121.223 -0.087 0.000 2.490 486 L HA 0.077 4.417 4.340 0.000 0.000 0.274 486 L C -1.628 175.210 176.870 -0.054 0.000 1.201 486 L CA -1.476 53.344 54.840 -0.032 0.000 0.869 486 L CB 0.401 42.479 42.059 0.030 0.000 1.123 486 L HN -0.041 nan 8.230 nan 0.000 0.484 487 P HA 0.044 nan 4.420 nan 0.000 0.270 487 P C -0.424 176.813 177.300 -0.104 0.000 1.223 487 P CA -0.465 62.590 63.100 -0.076 0.000 0.785 487 P CB 0.753 32.409 31.700 -0.074 0.000 0.923 488 S N 0.370 115.988 115.700 -0.137 0.000 2.606 488 S HA 0.063 4.533 4.470 0.000 0.000 0.257 488 S C 1.513 175.959 174.600 -0.257 0.000 1.327 488 S CA -0.504 57.585 58.200 -0.185 0.000 0.984 488 S CB -0.288 62.797 63.200 -0.191 0.000 0.941 488 S HN 0.220 nan 8.310 nan 0.000 0.576 489 V N 2.285 121.982 119.914 -0.361 0.000 2.255 489 V HA -0.077 4.043 4.120 0.000 0.000 0.247 489 V C -0.449 175.218 176.094 -0.711 0.000 1.051 489 V CA 2.042 64.048 62.300 -0.491 0.000 1.018 489 V CB -1.859 29.681 31.823 -0.471 0.000 0.641 489 V HN 0.820 nan 8.190 nan 0.000 0.445 490 P HA -0.053 nan 4.420 nan 0.000 0.221 490 P C 1.696 178.776 177.300 -0.367 0.000 1.150 490 P CA 1.766 64.385 63.100 -0.802 0.000 0.800 490 P CB -0.239 31.057 31.700 -0.674 0.000 0.787 491 G N 0.560 109.189 108.800 -0.285 0.000 2.422 491 G HA2 -0.209 3.751 3.960 0.000 0.000 0.218 491 G HA3 -0.209 3.751 3.960 0.000 0.000 0.218 491 G C 1.460 176.277 174.900 -0.138 0.000 1.140 491 G CA 0.393 45.395 45.100 -0.164 0.000 0.775 491 G HN 0.263 nan 8.290 nan 0.000 0.545 492 L N 0.064 121.189 121.223 -0.164 0.000 2.131 492 L HA 0.281 4.621 4.340 0.000 0.000 0.206 492 L C 2.521 179.322 176.870 -0.114 0.000 1.087 492 L CA 1.059 55.828 54.840 -0.119 0.000 0.767 492 L CB -0.218 41.776 42.059 -0.109 0.000 0.917 492 L HN 0.150 nan 8.230 nan 0.000 0.441 493 L N -0.804 120.320 121.223 -0.165 0.000 2.141 493 L HA -0.161 4.179 4.340 0.000 0.000 0.209 493 L C 2.735 179.557 176.870 -0.080 0.000 1.094 493 L CA 1.068 55.834 54.840 -0.122 0.000 0.763 493 L CB -0.352 41.608 42.059 -0.166 0.000 0.908 493 L HN 0.236 nan 8.230 nan 0.000 0.437 494 R N -0.735 119.712 120.500 -0.089 0.000 2.075 494 R HA -0.135 4.205 4.340 0.000 0.000 0.232 494 R C 2.111 178.387 176.300 -0.041 0.000 1.126 494 R CA 0.984 57.050 56.100 -0.055 0.000 0.963 494 R CB -0.161 30.106 30.300 -0.056 0.000 0.858 494 R HN 0.145 nan 8.270 nan 0.000 0.435 495 L N 0.534 121.729 121.223 -0.047 0.000 2.131 495 L HA -0.130 4.210 4.340 0.000 0.000 0.210 495 L C 2.026 178.881 176.870 -0.025 0.000 1.092 495 L CA 1.543 56.364 54.840 -0.032 0.000 0.759 495 L CB -0.499 41.540 42.059 -0.033 0.000 0.903 495 L HN 0.195 nan 8.230 nan 0.000 0.435 496 I N -0.983 119.570 120.570 -0.028 0.000 2.252 496 I HA -0.191 3.979 4.170 0.000 0.000 0.245 496 I C 2.491 178.600 176.117 -0.012 0.000 1.102 496 I CA 1.276 62.564 61.300 -0.019 0.000 1.385 496 I CB -0.804 37.184 38.000 -0.021 0.000 1.064 496 I HN 0.310 nan 8.210 nan 0.000 0.414 497 G N 0.925 109.717 108.800 -0.014 0.000 2.475 497 G HA2 -0.207 3.753 3.960 0.000 0.000 0.220 497 G HA3 -0.207 3.753 3.960 0.000 0.000 0.220 497 G C 1.684 176.580 174.900 -0.005 0.000 1.125 497 G CA 0.650 45.745 45.100 -0.007 0.000 0.755 497 G HN 0.288 nan 8.290 nan 0.000 0.565 498 L N 0.373 121.591 121.223 -0.008 0.000 2.179 498 L HA -0.008 4.332 4.340 0.000 0.000 0.208 498 L C 3.056 179.923 176.870 -0.005 0.000 1.096 498 L CA 1.368 56.204 54.840 -0.006 0.000 0.779 498 L CB -0.554 41.500 42.059 -0.009 0.000 0.922 498 L HN 0.186 nan 8.230 nan 0.000 0.443 499 T N -1.852 112.699 114.554 -0.005 0.000 2.904 499 T HA -0.110 4.240 4.350 0.000 0.000 0.267 499 T C 1.673 176.372 174.700 -0.001 0.000 1.059 499 T CA 1.415 63.513 62.100 -0.003 0.000 1.137 499 T CB -0.247 68.619 68.868 -0.003 0.000 0.879 499 T HN 0.238 nan 8.240 nan 0.000 0.467 500 T N 1.530 116.083 114.554 -0.001 0.000 3.160 500 T HA 0.317 4.667 4.350 0.000 0.000 0.257 500 T C 0.633 175.334 174.700 0.001 0.000 1.147 500 T CA 0.393 62.493 62.100 0.001 0.000 1.064 500 T CB -0.239 68.630 68.868 0.002 0.000 0.949 500 T HN 0.348 nan 8.240 nan 0.000 0.526 501 I N 0.000 120.570 120.570 0.001 0.000 2.984 501 I HA 0.000 4.170 4.170 0.000 0.000 0.288 501 I CA 0.000 61.301 61.300 0.001 0.000 1.566 501 I CB 0.000 38.001 38.000 0.001 0.000 1.214 501 I HN 0.000 nan 8.210 nan 0.000 0.494