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 3g6j_1_B DATA FIRST_RESID 730 DATA SEQUENCE DEDIIAEENI VSRSEFPESW LWNVEDLKEP PKNGISTKLM NIFLKDSITT DATA SEQUENCE WEILAVSMSD KKGICVADPF EVTVMQDFFI DLRLPYSVVR NEQVEIRAVL DATA SEQUENCE YNYRQNQELK VRVELLHNPA FCSLATTKRR HQQTVTIPPK SSLSVPYVIV DATA SEQUENCE PLKTGLQEVE VKAAVYHHFI SDGVRKSLKV VPEGIRMNKT VAVRTLDPER DATA SEQUENCE LGREGVQKED IPPADLSDQV PDTESETRIL LQGTPVAQMT EDAVDAERLK DATA SEQUENCE HLIVTPSGCG EQNMIGMTPT VIAVHYLDET EQWEKFGLEK RQGALELIKK DATA SEQUENCE GYTQQLAFRQ PSSAFAAFVK RAPSTWLTAY VVKVFSLAVN LIAIDSQVLc DATA SEQUENCE GAVKWLILEK QKPDGVFQED APVIHQEMIG GLRNNNEKDM ALTAFVLISL DATA SEQUENCE QEAKDIcEEQ VNSLPGSITK AGDFLEANYM NLQRSYTVAI AGYALAQMGR DATA SEQUENCE LKGPLLNKFL TTAKDKNRWE DPGKQLYNVE ATSYALLALL QLKDFDFVPP DATA SEQUENCE VVRWLNEQRY YGGGYGSTQA TFMVFQALAQ YQKDAPDHQE LNLDVSLQLP DATA SEQUENCE SRSSKITHRI HWESASLLRS EETKENEGFT VTAEGKGQGT LSVVTMYHAK DATA SEQUENCE AKDQLTcNKF DLKVTIKPAP ETXXXXXXXK NTMILEIcTR YRGDQDATMS DATA SEQUENCE ILDISMMTGF APDTDDLKQL ANGVDRYISK YELDKAFSDR NTLIIYLDKV DATA SEQUENCE SHSEDDcLAF KVHQYFNVEL IQPGAVKVYA YYNLEEScTR FYHPEKEDGK DATA SEQUENCE LNKLcRDELc RCAEENcFIQ KXXDKVTLEE RLDKAcEPGV DYVYKTRLVK DATA SEQUENCE VQLSNDFDEY IMAIEQTIKS GSDEVQVGQQ RTFISPIKcR EALKLEEKKH DATA SEQUENCE YLMWGLSSDF WGEKPNLSYI IGKDTWVEHW PEEDEcQDEE NQKQcQDLGA DATA SEQUENCE FTESMVVFGc PN 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 730 D HA 0.000 nan 4.640 nan 0.000 0.175 730 D C 0.000 176.365 176.300 0.109 0.000 2.045 730 D CA 0.000 54.068 54.000 0.114 0.000 0.868 730 D CB 0.000 40.927 40.800 0.211 0.000 0.688 731 E N 0.305 120.591 120.200 0.143 0.000 2.214 731 E HA 0.452 4.800 4.350 -0.004 0.000 0.274 731 E C -0.522 176.177 176.600 0.165 0.000 0.977 731 E CA -0.346 56.127 56.400 0.122 0.000 0.827 731 E CB 0.984 30.742 29.700 0.098 0.000 1.130 731 E HN 0.443 nan 8.360 nan 0.000 0.394 732 D N 0.365 120.838 120.400 0.122 0.000 3.017 732 D HA -0.182 4.456 4.640 -0.004 0.000 0.220 732 D C -1.165 175.171 176.300 0.060 0.000 1.141 732 D CA 0.680 54.753 54.000 0.122 0.000 0.848 732 D CB -0.884 40.031 40.800 0.191 0.000 1.102 732 D HN 0.477 nan 8.370 nan 0.000 0.427 733 I N -0.265 120.300 120.570 -0.008 0.000 2.913 733 I HA 0.399 4.567 4.170 -0.004 0.000 0.302 733 I C -0.130 175.942 176.117 -0.075 0.000 1.246 733 I CA -1.149 60.055 61.300 -0.160 0.000 1.010 733 I CB 1.507 39.212 38.000 -0.490 0.000 1.259 733 I HN -0.071 nan 8.210 nan 0.000 0.434 734 I N 5.421 125.956 120.570 -0.059 0.000 2.648 734 I HA 0.225 4.393 4.170 -0.004 0.000 0.284 734 I C 0.710 176.810 176.117 -0.028 0.000 1.153 734 I CA 0.005 61.304 61.300 -0.001 0.000 1.426 734 I CB 1.059 39.080 38.000 0.036 0.000 1.381 734 I HN 0.620 nan 8.210 nan 0.000 0.571 735 A N 5.777 128.597 122.820 -0.001 0.000 2.388 735 A HA 0.103 4.421 4.320 -0.004 0.000 0.257 735 A C 1.330 178.916 177.584 0.004 0.000 1.095 735 A CA -0.393 51.643 52.037 -0.003 0.000 0.791 735 A CB 0.610 19.617 19.000 0.011 0.000 1.029 735 A HN 0.862 nan 8.150 nan 0.000 0.489 736 E N 1.263 121.463 120.200 0.001 0.000 2.130 736 E HA -0.248 4.100 4.350 -0.004 0.000 0.196 736 E C 1.217 177.827 176.600 0.017 0.000 0.998 736 E CA 2.202 58.608 56.400 0.009 0.000 0.806 736 E CB 0.026 29.731 29.700 0.008 0.000 0.738 736 E HN 0.807 nan 8.360 nan 0.000 0.459 737 E N 0.320 120.530 120.200 0.017 0.000 2.204 737 E HA -0.101 4.247 4.350 -0.004 0.000 0.194 737 E C 1.570 178.183 176.600 0.021 0.000 0.989 737 E CA 1.021 57.432 56.400 0.019 0.000 0.824 737 E CB -0.129 29.582 29.700 0.018 0.000 0.756 737 E HN 0.242 nan 8.360 nan 0.000 0.477 738 N N -0.177 118.537 118.700 0.023 0.000 2.373 738 N HA 0.094 4.832 4.740 -0.004 0.000 0.181 738 N C -0.165 175.365 175.510 0.033 0.000 1.082 738 N CA 0.188 53.254 53.050 0.026 0.000 0.885 738 N CB 0.319 38.823 38.487 0.028 0.000 0.977 738 N HN 0.159 nan 8.380 nan 0.000 0.462 739 I N 1.315 121.907 120.570 0.036 0.000 2.436 739 I HA 0.047 4.214 4.170 -0.004 0.000 0.289 739 I C -0.244 175.897 176.117 0.042 0.000 1.083 739 I CA -0.280 61.049 61.300 0.047 0.000 1.372 739 I CB 0.800 38.832 38.000 0.052 0.000 1.408 739 I HN -0.292 nan 8.210 nan 0.000 0.516 740 V N 6.521 126.461 119.914 0.043 0.000 2.364 740 V HA 0.156 4.274 4.120 -0.004 0.000 0.272 740 V C 0.446 176.565 176.094 0.042 0.000 1.036 740 V CA -0.307 62.013 62.300 0.033 0.000 0.880 740 V CB 1.246 33.083 31.823 0.023 0.000 0.991 740 V HN 0.755 nan 8.190 nan 0.000 0.460 741 S N 5.363 121.089 115.700 0.042 0.000 2.572 741 S HA 0.319 4.787 4.470 -0.004 0.000 0.279 741 S C 0.457 175.089 174.600 0.054 0.000 1.341 741 S CA -0.474 57.764 58.200 0.063 0.000 1.043 741 S CB 0.379 63.619 63.200 0.066 0.000 0.887 741 S HN 0.622 nan 8.310 nan 0.000 0.516 742 R N 1.230 121.791 120.500 0.102 0.000 2.537 742 R HA 0.145 4.483 4.340 -0.004 0.000 0.280 742 R C 1.075 177.372 176.300 -0.005 0.000 1.058 742 R CA 0.072 56.212 56.100 0.065 0.000 1.057 742 R CB 0.525 30.967 30.300 0.236 0.000 0.973 742 R HN 0.734 nan 8.270 nan 0.000 0.438 743 S N 1.730 117.161 115.700 -0.449 0.000 2.784 743 S HA 0.026 4.494 4.470 -0.004 0.000 0.266 743 S C -0.141 173.891 174.600 -0.946 0.000 1.079 743 S CA -0.381 57.531 58.200 -0.481 0.000 0.989 743 S CB 0.500 63.580 63.200 -0.199 0.000 0.926 743 S HN 0.621 nan 8.310 nan 0.000 0.497 744 E N 1.350 120.964 120.200 -0.976 0.000 1.893 744 E HA 0.287 4.635 4.350 -0.004 0.000 0.269 744 E C -1.485 174.695 176.600 -0.700 0.000 1.129 744 E CA -0.215 55.793 56.400 -0.653 0.000 0.904 744 E CB 0.273 29.726 29.700 -0.412 0.000 1.077 744 E HN 0.449 nan 8.360 nan 0.000 0.407 745 F N 3.529 123.485 119.950 0.010 0.000 2.627 745 F HA 0.257 4.782 4.527 -0.004 0.000 0.329 745 F C -1.832 174.032 175.800 0.106 0.000 1.378 745 F CA -2.292 55.745 58.000 0.061 0.000 1.134 745 F CB 0.080 39.103 39.000 0.038 0.000 1.229 745 F HN 0.223 nan 8.300 nan 0.000 0.537 746 P HA 0.202 nan 4.420 nan 0.000 0.274 746 P C 0.311 177.849 177.300 0.397 0.000 1.231 746 P CA -0.135 63.109 63.100 0.240 0.000 0.790 746 P CB 1.628 33.418 31.700 0.150 0.000 0.951 747 E N -0.070 120.317 120.200 0.312 0.000 2.230 747 E HA 0.018 4.366 4.350 -0.004 0.000 0.192 747 E C 0.359 177.212 176.600 0.422 0.000 0.987 747 E CA 0.553 57.145 56.400 0.320 0.000 0.841 747 E CB 0.179 29.991 29.700 0.186 0.000 0.783 747 E HN 0.582 nan 8.360 nan 0.000 0.481 748 S N -0.001 115.923 115.700 0.373 0.000 2.536 748 S HA 0.541 5.009 4.470 -0.004 0.000 0.271 748 S C -1.185 173.627 174.600 0.353 0.000 1.134 748 S CA -1.127 57.273 58.200 0.333 0.000 0.897 748 S CB 1.430 64.729 63.200 0.165 0.000 1.094 748 S HN 0.332 nan 8.310 nan 0.000 0.473 749 W N 1.368 122.679 121.300 0.019 0.000 2.923 749 W HA 0.687 5.345 4.660 -0.003 0.000 0.373 749 W C -0.856 175.677 176.519 0.024 0.000 1.205 749 W CA -1.262 56.073 57.345 -0.017 0.000 1.180 749 W CB 0.017 29.396 29.460 -0.135 0.000 1.477 749 W HN 1.276 nan 8.180 nan 0.000 0.581 750 L N 1.264 122.518 121.223 0.051 0.000 3.754 750 L HA -0.204 4.134 4.340 -0.004 0.000 0.410 750 L C -0.067 176.809 176.870 0.010 0.000 1.230 750 L CA 0.241 54.991 54.840 -0.150 0.000 0.901 750 L CB -1.340 40.303 42.059 -0.693 0.000 1.982 750 L HN 0.658 nan 8.230 nan 0.000 0.822 751 W N 2.539 123.804 121.300 -0.058 0.000 1.438 751 W HA 0.294 4.952 4.660 -0.003 0.000 0.455 751 W C 0.227 176.729 176.519 -0.028 0.000 0.656 751 W CA -0.176 57.145 57.345 -0.039 0.000 2.049 751 W CB -0.305 29.153 29.460 -0.004 0.000 1.683 751 W HN 0.491 nan 8.180 nan 0.000 0.228 752 N N 0.669 119.273 118.700 -0.160 0.000 2.381 752 N HA 0.501 5.239 4.740 -0.004 0.000 0.294 752 N C -1.341 174.041 175.510 -0.212 0.000 1.216 752 N CA -0.890 52.078 53.050 -0.137 0.000 0.803 752 N CB 2.437 40.889 38.487 -0.060 0.000 1.372 752 N HN -0.228 nan 8.380 nan 0.000 0.500 753 V N 0.996 120.821 119.914 -0.149 0.000 2.555 753 V HA 0.472 4.590 4.120 -0.004 0.000 0.302 753 V C -0.763 175.276 176.094 -0.092 0.000 1.038 753 V CA -0.532 61.684 62.300 -0.141 0.000 0.887 753 V CB 1.647 33.395 31.823 -0.124 0.000 0.991 753 V HN 0.619 nan 8.190 nan 0.000 0.434 754 E N 2.180 122.326 120.200 -0.089 0.000 2.274 754 E HA 0.382 4.729 4.350 -0.004 0.000 0.269 754 E C -1.731 174.832 176.600 -0.062 0.000 0.891 754 E CA -0.703 55.658 56.400 -0.066 0.000 0.784 754 E CB 2.406 32.068 29.700 -0.063 0.000 1.225 754 E HN 0.598 nan 8.360 nan 0.000 0.412 755 D N 2.434 122.804 120.400 -0.049 0.000 2.249 755 D HA 0.273 4.911 4.640 -0.004 0.000 0.246 755 D C 0.200 176.476 176.300 -0.040 0.000 1.114 755 D CA -0.331 53.643 54.000 -0.044 0.000 0.854 755 D CB 1.268 42.045 40.800 -0.037 0.000 1.132 755 D HN 0.258 nan 8.370 nan 0.000 0.461 756 L N 2.959 124.158 121.223 -0.040 0.000 2.361 756 L HA 0.123 4.460 4.340 -0.004 0.000 0.278 756 L C 1.406 178.257 176.870 -0.030 0.000 1.113 756 L CA 0.143 54.961 54.840 -0.037 0.000 0.849 756 L CB 0.712 42.747 42.059 -0.039 0.000 1.155 756 L HN 0.256 nan 8.230 nan 0.000 0.452 757 K N 1.138 121.522 120.400 -0.027 0.000 2.412 757 K HA 0.129 4.447 4.320 -0.004 0.000 0.201 757 K C 0.309 176.897 176.600 -0.020 0.000 1.275 757 K CA -0.019 56.254 56.287 -0.023 0.000 0.910 757 K CB 0.416 32.904 32.500 -0.020 0.000 1.346 757 K HN 0.352 nan 8.250 nan 0.000 0.490 758 E N 2.217 122.405 120.200 -0.021 0.000 2.459 758 E HA 0.004 4.352 4.350 -0.004 0.000 0.264 758 E C -2.371 174.217 176.600 -0.019 0.000 1.055 758 E CA -1.227 55.162 56.400 -0.019 0.000 0.957 758 E CB 0.177 29.866 29.700 -0.019 0.000 0.952 758 E HN 0.105 nan 8.360 nan 0.000 0.448 759 P HA 0.161 nan 4.420 nan 0.000 0.272 759 P C -2.563 174.726 177.300 -0.018 0.000 1.230 759 P CA -1.416 61.675 63.100 -0.016 0.000 0.788 759 P CB 0.008 31.699 31.700 -0.014 0.000 0.949 760 P HA 0.218 nan 4.420 nan 0.000 0.283 760 P C -0.457 176.833 177.300 -0.017 0.000 1.412 760 P CA -0.227 62.862 63.100 -0.019 0.000 0.912 760 P CB 0.282 31.971 31.700 -0.018 0.000 1.132 761 K N 3.230 123.619 120.400 -0.018 0.000 2.297 761 K HA 0.117 4.434 4.320 -0.004 0.000 0.286 761 K C 0.685 177.275 176.600 -0.016 0.000 1.053 761 K CA -0.347 55.931 56.287 -0.016 0.000 0.940 761 K CB 0.256 32.747 32.500 -0.016 0.000 1.019 761 K HN 0.370 nan 8.250 nan 0.000 0.475 762 N N 1.496 120.187 118.700 -0.014 0.000 2.776 762 N HA -0.180 4.558 4.740 -0.004 0.000 0.250 762 N C 0.443 175.944 175.510 -0.015 0.000 1.112 762 N CA 1.270 54.312 53.050 -0.014 0.000 0.733 762 N CB -1.052 37.426 38.487 -0.015 0.000 1.097 762 N HN 1.066 nan 8.380 nan 0.000 0.558 763 G N -0.647 108.144 108.800 -0.016 0.000 2.225 763 G HA2 -0.264 3.693 3.960 -0.004 0.000 0.267 763 G HA3 -0.264 3.693 3.960 -0.004 0.000 0.267 763 G C -0.111 174.778 174.900 -0.019 0.000 1.024 763 G CA 0.569 45.659 45.100 -0.016 0.000 0.784 763 G HN 0.453 nan 8.290 nan 0.000 0.507 764 I N 1.003 121.560 120.570 -0.021 0.000 2.497 764 I HA 0.294 4.461 4.170 -0.004 0.000 0.284 764 I C 0.584 176.684 176.117 -0.028 0.000 1.060 764 I CA -0.569 60.715 61.300 -0.026 0.000 1.071 764 I CB 1.398 39.382 38.000 -0.027 0.000 1.216 764 I HN 0.055 nan 8.210 nan 0.000 0.442 765 S N 3.931 119.614 115.700 -0.030 0.000 2.589 765 S HA 0.475 4.942 4.470 -0.004 0.000 0.265 765 S C 0.163 174.741 174.600 -0.037 0.000 1.342 765 S CA 0.146 58.327 58.200 -0.031 0.000 1.005 765 S CB 0.754 63.935 63.200 -0.031 0.000 0.909 765 S HN 0.618 nan 8.310 nan 0.000 0.555 766 T N 2.345 116.877 114.554 -0.037 0.000 3.109 766 T HA 0.349 4.697 4.350 -0.004 0.000 0.311 766 T C -0.934 173.741 174.700 -0.041 0.000 1.011 766 T CA -0.667 61.408 62.100 -0.043 0.000 1.026 766 T CB 1.274 70.118 68.868 -0.041 0.000 1.047 766 T HN 0.494 nan 8.240 nan 0.000 0.448 767 K N 3.487 123.858 120.400 -0.048 0.000 2.221 767 K HA 0.683 5.001 4.320 -0.004 0.000 0.258 767 K C -1.090 175.481 176.600 -0.049 0.000 0.944 767 K CA -0.834 55.426 56.287 -0.044 0.000 0.823 767 K CB 0.955 33.428 32.500 -0.045 0.000 1.113 767 K HN 0.466 nan 8.250 nan 0.000 0.431 768 L N 5.167 126.368 121.223 -0.038 0.000 2.265 768 L HA 0.416 4.753 4.340 -0.004 0.000 0.289 768 L C -0.115 176.739 176.870 -0.026 0.000 1.033 768 L CA -0.412 54.406 54.840 -0.036 0.000 0.814 768 L CB 1.284 43.326 42.059 -0.028 0.000 1.203 768 L HN 0.577 nan 8.230 nan 0.000 0.423 769 M N 3.491 123.073 119.600 -0.030 0.000 2.238 769 M HA 0.321 4.798 4.480 -0.004 0.000 0.350 769 M C -0.746 175.556 176.300 0.003 0.000 1.138 769 M CA -0.564 54.728 55.300 -0.013 0.000 1.040 769 M CB 1.494 34.079 32.600 -0.025 0.000 1.639 769 M HN 0.456 nan 8.290 nan 0.000 0.451 770 N N 5.388 124.104 118.700 0.027 0.000 2.485 770 N HA 0.440 5.177 4.740 -0.004 0.000 0.243 770 N C -0.826 174.741 175.510 0.094 0.000 0.987 770 N CA -0.213 52.856 53.050 0.031 0.000 0.940 770 N CB 0.519 39.027 38.487 0.035 0.000 1.122 770 N HN 0.591 nan 8.380 nan 0.000 0.509 771 I N -1.804 118.811 120.570 0.076 0.000 2.577 771 I HA 0.578 4.746 4.170 -0.004 0.000 0.305 771 I C -0.615 175.577 176.117 0.125 0.000 0.986 771 I CA -0.890 60.526 61.300 0.193 0.000 1.189 771 I CB 1.085 39.207 38.000 0.202 0.000 1.355 771 I HN 0.065 nan 8.210 nan 0.000 0.476 772 F N 4.583 124.603 119.950 0.116 0.000 2.332 772 F HA 0.470 4.994 4.527 -0.004 0.000 0.368 772 F C 0.121 175.870 175.800 -0.085 0.000 1.110 772 F CA -0.605 57.405 58.000 0.017 0.000 1.087 772 F CB 1.261 40.241 39.000 -0.032 0.000 1.235 772 F HN 0.298 nan 8.300 nan 0.000 0.470 773 L N 5.176 126.416 121.223 0.028 0.000 2.525 773 L HA 0.040 4.378 4.340 -0.004 0.000 0.278 773 L C 0.774 177.476 176.870 -0.279 0.000 1.218 773 L CA -0.111 54.674 54.840 -0.092 0.000 0.878 773 L CB 0.204 42.301 42.059 0.064 0.000 1.127 773 L HN 0.503 nan 8.230 nan 0.000 0.492 774 K N 1.909 121.948 120.400 -0.602 0.000 2.136 774 K HA 0.059 4.377 4.320 -0.004 0.000 0.237 774 K C 0.431 176.973 176.600 -0.098 0.000 1.048 774 K CA -0.448 55.560 56.287 -0.466 0.000 0.880 774 K CB 0.458 32.525 32.500 -0.723 0.000 1.105 774 K HN 0.468 nan 8.250 nan 0.000 0.507 775 D N 0.233 120.563 120.400 -0.116 0.000 2.289 775 D HA -0.030 4.607 4.640 -0.004 0.000 0.207 775 D C -0.013 176.434 176.300 0.245 0.000 0.966 775 D CA 0.548 54.534 54.000 -0.023 0.000 0.868 775 D CB -0.022 40.600 40.800 -0.296 0.000 0.943 775 D HN 0.248 nan 8.370 nan 0.000 0.514 776 S N 0.822 116.763 115.700 0.401 0.000 2.626 776 S HA -0.006 4.462 4.470 -0.004 0.000 0.303 776 S C 0.760 175.383 174.600 0.039 0.000 1.256 776 S CA 0.010 58.405 58.200 0.325 0.000 1.069 776 S CB 0.443 63.782 63.200 0.231 0.000 0.807 776 S HN 0.139 nan 8.310 nan 0.000 0.500 777 I N 3.788 124.271 120.570 -0.145 0.000 2.269 777 I HA 0.256 4.424 4.170 -0.004 0.000 0.293 777 I C 0.723 176.618 176.117 -0.370 0.000 1.106 777 I CA 0.148 61.242 61.300 -0.344 0.000 1.248 777 I CB 0.209 37.783 38.000 -0.711 0.000 1.444 777 I HN 0.621 nan 8.210 nan 0.000 0.497 778 T N 2.842 117.175 114.554 -0.369 0.000 2.661 778 T HA 0.319 4.667 4.350 -0.004 0.000 0.305 778 T C -0.998 173.447 174.700 -0.426 0.000 1.535 778 T CA -0.318 61.529 62.100 -0.422 0.000 1.000 778 T CB 1.805 70.341 68.868 -0.554 0.000 1.811 778 T HN 0.261 nan 8.240 nan 0.000 0.471 779 T N 1.898 116.199 114.554 -0.421 0.000 2.786 779 T HA 0.544 4.892 4.350 -0.004 0.000 0.283 779 T C -1.041 173.458 174.700 -0.334 0.000 0.992 779 T CA -0.243 61.672 62.100 -0.307 0.000 0.954 779 T CB 0.266 69.025 68.868 -0.182 0.000 0.934 779 T HN 0.413 nan 8.240 nan 0.000 0.440 780 W N 1.931 123.228 121.300 -0.006 0.000 2.251 780 W HA 0.441 5.099 4.660 -0.004 0.000 0.329 780 W C 0.830 177.312 176.519 -0.062 0.000 1.234 780 W CA -0.664 56.695 57.345 0.022 0.000 1.228 780 W CB 0.633 30.152 29.460 0.099 0.000 1.135 780 W HN 0.485 nan 8.180 nan 0.000 0.576 781 E N 3.184 123.522 120.200 0.231 0.000 2.155 781 E HA 0.338 4.685 4.350 -0.004 0.000 0.264 781 E C -1.123 175.528 176.600 0.086 0.000 0.886 781 E CA -0.488 55.968 56.400 0.093 0.000 0.752 781 E CB 0.802 30.541 29.700 0.065 0.000 1.133 781 E HN 0.380 nan 8.360 nan 0.000 0.414 782 I N 5.124 125.734 120.570 0.066 0.000 2.336 782 I HA 0.219 4.386 4.170 -0.004 0.000 0.292 782 I C -0.698 175.463 176.117 0.074 0.000 0.991 782 I CA -0.862 60.470 61.300 0.053 0.000 1.227 782 I CB 1.169 39.237 38.000 0.114 0.000 1.366 782 I HN 0.334 nan 8.210 nan 0.000 0.466 783 L N 7.289 128.527 121.223 0.025 0.000 2.343 783 L HA 0.666 5.004 4.340 -0.004 0.000 0.278 783 L C -0.294 176.563 176.870 -0.021 0.000 0.996 783 L CA -0.618 54.235 54.840 0.021 0.000 0.831 783 L CB 1.184 43.263 42.059 0.033 0.000 1.232 783 L HN 0.639 nan 8.230 nan 0.000 0.413 784 A N 5.303 128.108 122.820 -0.026 0.000 2.288 784 A HA 0.781 5.098 4.320 -0.004 0.000 0.320 784 A C -1.051 176.500 177.584 -0.056 0.000 1.217 784 A CA -0.479 51.522 52.037 -0.060 0.000 0.840 784 A CB 1.071 20.033 19.000 -0.063 0.000 1.179 784 A HN 0.476 nan 8.150 nan 0.000 0.504 785 V N 2.607 122.475 119.914 -0.077 0.000 2.495 785 V HA 0.642 4.760 4.120 -0.004 0.000 0.298 785 V C 0.275 176.323 176.094 -0.077 0.000 1.031 785 V CA -0.317 61.943 62.300 -0.066 0.000 0.871 785 V CB 1.754 33.539 31.823 -0.064 0.000 0.988 785 V HN 1.072 nan 8.190 nan 0.000 0.432 786 S N 4.650 120.314 115.700 -0.060 0.000 2.503 786 S HA 0.906 5.374 4.470 -0.004 0.000 0.301 786 S C -0.821 173.750 174.600 -0.049 0.000 1.087 786 S CA -0.768 57.397 58.200 -0.059 0.000 1.042 786 S CB 1.983 65.151 63.200 -0.053 0.000 1.043 786 S HN 0.645 nan 8.310 nan 0.000 0.489 787 M N 2.760 122.330 119.600 -0.050 0.000 2.326 787 M HA 0.644 5.122 4.480 -0.004 0.000 0.306 787 M C -0.830 175.448 176.300 -0.037 0.000 1.054 787 M CA -0.043 55.233 55.300 -0.041 0.000 0.922 787 M CB 2.116 34.690 32.600 -0.043 0.000 1.632 787 M HN 0.880 nan 8.290 nan 0.000 0.436 788 S N 2.342 118.024 115.700 -0.030 0.000 2.548 788 S HA 0.459 4.927 4.470 -0.004 0.000 0.286 788 S C 0.115 174.701 174.600 -0.023 0.000 1.098 788 S CA -0.695 57.489 58.200 -0.027 0.000 0.930 788 S CB 1.078 64.263 63.200 -0.026 0.000 1.070 788 S HN 0.821 nan 8.310 nan 0.000 0.480 789 D N 2.530 122.917 120.400 -0.021 0.000 2.144 789 D HA -0.103 4.535 4.640 -0.004 0.000 0.199 789 D C 1.533 177.823 176.300 -0.016 0.000 0.984 789 D CA 1.209 55.199 54.000 -0.018 0.000 0.834 789 D CB 0.230 41.020 40.800 -0.017 0.000 0.955 789 D HN 0.648 nan 8.370 nan 0.000 0.465 790 K N 0.749 121.139 120.400 -0.016 0.000 2.240 790 K HA 0.104 4.422 4.320 -0.004 0.000 0.202 790 K C 1.705 178.296 176.600 -0.015 0.000 1.053 790 K CA 0.283 56.562 56.287 -0.015 0.000 0.973 790 K CB -0.162 32.329 32.500 -0.014 0.000 0.924 790 K HN -0.090 nan 8.250 nan 0.000 0.477 791 K N 0.885 121.275 120.400 -0.017 0.000 2.393 791 K HA 0.133 4.451 4.320 -0.004 0.000 0.193 791 K C 0.543 177.133 176.600 -0.017 0.000 1.026 791 K CA 0.479 56.756 56.287 -0.016 0.000 1.064 791 K CB 0.412 32.901 32.500 -0.018 0.000 0.833 791 K HN 0.485 nan 8.250 nan 0.000 0.521 792 G N 1.605 110.394 108.800 -0.018 0.000 2.593 792 G HA2 -0.321 3.637 3.960 -0.004 0.000 0.237 792 G HA3 -0.321 3.637 3.960 -0.004 0.000 0.237 792 G C -0.388 174.499 174.900 -0.021 0.000 1.312 792 G CA -0.373 44.716 45.100 -0.018 0.000 0.896 792 G HN 0.211 nan 8.290 nan 0.000 0.574 793 I N 0.101 120.659 120.570 -0.019 0.000 2.581 793 I HA 0.544 4.712 4.170 -0.004 0.000 0.288 793 I C 0.492 176.597 176.117 -0.020 0.000 1.047 793 I CA -0.024 61.263 61.300 -0.021 0.000 1.374 793 I CB 0.868 38.857 38.000 -0.018 0.000 1.423 793 I HN 0.993 nan 8.210 nan 0.000 0.549 794 C N 6.399 125.685 119.300 -0.024 0.000 3.090 794 C HA 0.622 5.080 4.460 -0.004 0.000 0.347 794 C C -1.350 173.625 174.990 -0.024 0.000 1.147 794 C CA -0.378 58.627 59.018 -0.022 0.000 1.305 794 C CB 1.116 28.842 27.740 -0.023 0.000 1.692 794 C HN 0.524 nan 8.230 nan 0.000 0.506 795 V N 5.176 125.080 119.914 -0.017 0.000 2.443 795 V HA 0.709 4.826 4.120 -0.004 0.000 0.293 795 V C 0.785 176.873 176.094 -0.009 0.000 1.021 795 V CA 0.076 62.367 62.300 -0.014 0.000 0.848 795 V CB 1.216 33.035 31.823 -0.006 0.000 0.998 795 V HN 1.275 nan 8.190 nan 0.000 0.424 796 A N 3.663 126.476 122.820 -0.012 0.000 2.386 796 A HA 0.426 4.743 4.320 -0.004 0.000 0.246 796 A C 0.085 177.677 177.584 0.013 0.000 1.089 796 A CA -0.267 51.767 52.037 -0.005 0.000 0.790 796 A CB 0.114 19.106 19.000 -0.013 0.000 1.042 796 A HN 0.774 nan 8.150 nan 0.000 0.497 797 D N 1.158 121.571 120.400 0.023 0.000 2.382 797 D HA 0.394 5.032 4.640 -0.004 0.000 0.245 797 D C -2.175 174.167 176.300 0.070 0.000 1.120 797 D CA -0.573 53.452 54.000 0.040 0.000 0.890 797 D CB 0.161 40.987 40.800 0.043 0.000 1.201 797 D HN 0.231 nan 8.370 nan 0.000 0.433 798 P HA 0.124 nan 4.420 nan 0.000 0.268 798 P C -0.682 176.710 177.300 0.154 0.000 1.205 798 P CA -0.288 62.867 63.100 0.092 0.000 0.771 798 P CB 0.255 31.989 31.700 0.057 0.000 0.858 799 F N 2.138 122.092 119.950 0.006 0.000 2.449 799 F HA 0.323 4.848 4.527 -0.004 0.000 0.342 799 F C -0.098 175.721 175.800 0.032 0.000 1.127 799 F CA -0.824 57.182 58.000 0.010 0.000 0.975 799 F CB 1.234 40.231 39.000 -0.004 0.000 1.146 799 F HN 0.239 nan 8.300 nan 0.000 0.444 800 E N 4.746 124.588 120.200 -0.597 0.000 2.277 800 E HA 0.568 4.915 4.350 -0.004 0.000 0.274 800 E C -1.197 174.948 176.600 -0.758 0.000 1.022 800 E CA -0.939 55.164 56.400 -0.496 0.000 0.853 800 E CB 2.516 32.075 29.700 -0.235 0.000 1.086 800 E HN 0.421 nan 8.360 nan 0.000 0.397 801 V N 1.925 121.632 119.914 -0.345 0.000 2.623 801 V HA 0.245 4.363 4.120 -0.004 0.000 0.304 801 V C -0.429 175.665 176.094 -0.001 0.000 1.054 801 V CA -0.845 61.358 62.300 -0.162 0.000 0.882 801 V CB 2.055 33.883 31.823 0.009 0.000 1.002 801 V HN 0.662 nan 8.190 nan 0.000 0.424 802 T N 4.216 118.753 114.554 -0.028 0.000 2.758 802 T HA 0.593 4.941 4.350 -0.004 0.000 0.285 802 T C -0.218 174.476 174.700 -0.009 0.000 0.981 802 T CA -0.362 61.709 62.100 -0.048 0.000 0.965 802 T CB 1.464 70.279 68.868 -0.088 0.000 0.927 802 T HN 0.385 nan 8.240 nan 0.000 0.448 803 V N 4.701 124.608 119.914 -0.011 0.000 2.472 803 V HA 0.801 4.919 4.120 -0.004 0.000 0.290 803 V C -0.114 175.912 176.094 -0.114 0.000 1.037 803 V CA -0.776 61.526 62.300 0.002 0.000 0.908 803 V CB 1.484 33.375 31.823 0.114 0.000 0.985 803 V HN 0.923 nan 8.190 nan 0.000 0.454 804 M N 3.863 123.399 119.600 -0.107 0.000 2.562 804 M HA 0.506 4.984 4.480 -0.004 0.000 0.281 804 M C -1.740 174.515 176.300 -0.075 0.000 1.195 804 M CA 0.004 55.205 55.300 -0.164 0.000 0.888 804 M CB 2.377 34.898 32.600 -0.133 0.000 1.731 804 M HN 0.703 nan 8.290 nan 0.000 0.493 805 Q N 1.087 120.863 119.800 -0.040 0.000 2.484 805 Q HA 0.406 4.744 4.340 -0.004 0.000 0.285 805 Q C -0.681 175.514 176.000 0.326 0.000 1.097 805 Q CA -0.996 54.893 55.803 0.143 0.000 0.802 805 Q CB 1.874 30.720 28.738 0.180 0.000 1.444 805 Q HN 0.711 nan 8.270 nan 0.000 0.429 806 D N -0.024 120.561 120.400 0.308 0.000 2.224 806 D HA 0.017 4.654 4.640 -0.004 0.000 0.205 806 D C -0.395 176.173 176.300 0.446 0.000 0.965 806 D CA 1.262 55.471 54.000 0.350 0.000 0.852 806 D CB 0.322 41.260 40.800 0.229 0.000 0.947 806 D HN 0.265 nan 8.370 nan 0.000 0.494 807 F N 0.934 121.051 119.950 0.279 0.000 2.573 807 F HA 0.454 4.978 4.527 -0.004 0.000 0.316 807 F C -1.739 174.250 175.800 0.316 0.000 1.148 807 F CA -1.187 56.924 58.000 0.185 0.000 0.940 807 F CB 0.996 40.040 39.000 0.073 0.000 1.214 807 F HN -0.175 nan 8.300 nan 0.000 0.448 808 F N 4.423 123.954 119.950 -0.698 0.000 2.713 808 F HA 0.734 5.258 4.527 -0.004 0.000 0.311 808 F C -2.041 173.484 175.800 -0.459 0.000 1.141 808 F CA -1.620 56.028 58.000 -0.587 0.000 0.939 808 F CB 0.978 39.870 39.000 -0.178 0.000 1.325 808 F HN 0.307 nan 8.300 nan 0.000 0.453 809 I N 1.581 122.088 120.570 -0.106 0.000 2.385 809 I HA 0.316 4.484 4.170 -0.004 0.000 0.294 809 I C -1.026 175.197 176.117 0.176 0.000 0.988 809 I CA -0.346 60.932 61.300 -0.037 0.000 1.265 809 I CB 1.383 39.369 38.000 -0.023 0.000 1.388 809 I HN 0.549 nan 8.210 nan 0.000 0.480 810 D N 6.447 126.950 120.400 0.171 0.000 2.464 810 D HA 0.240 4.878 4.640 -0.004 0.000 0.243 810 D C -1.002 175.333 176.300 0.057 0.000 1.104 810 D CA -0.554 53.549 54.000 0.170 0.000 0.883 810 D CB 1.053 42.059 40.800 0.343 0.000 1.050 810 D HN 0.208 nan 8.370 nan 0.000 0.524 811 L N 4.738 125.955 121.223 -0.011 0.000 2.363 811 L HA 0.336 4.674 4.340 -0.004 0.000 0.286 811 L C -0.113 176.737 176.870 -0.033 0.000 1.106 811 L CA -0.108 54.721 54.840 -0.019 0.000 0.859 811 L CB 0.084 42.118 42.059 -0.042 0.000 1.223 811 L HN 0.162 nan 8.230 nan 0.000 0.446 812 R N 5.487 125.985 120.500 -0.003 0.000 2.891 812 R HA 0.284 4.622 4.340 -0.004 0.000 0.248 812 R C -0.867 175.432 176.300 -0.002 0.000 1.439 812 R CA -0.626 55.472 56.100 -0.003 0.000 1.288 812 R CB -0.381 29.926 30.300 0.011 0.000 1.212 812 R HN 0.403 nan 8.270 nan 0.000 0.605 813 L N 3.731 124.947 121.223 -0.012 0.000 2.334 813 L HA 0.441 4.779 4.340 -0.004 0.000 0.277 813 L C -1.536 175.345 176.870 0.019 0.000 1.075 813 L CA -2.093 52.745 54.840 -0.002 0.000 0.804 813 L CB 0.281 42.330 42.059 -0.016 0.000 1.174 813 L HN 0.309 nan 8.230 nan 0.000 0.438 814 P HA 0.070 nan 4.420 nan 0.000 0.277 814 P C 0.308 177.662 177.300 0.091 0.000 1.276 814 P CA -0.252 62.886 63.100 0.063 0.000 0.788 814 P CB 0.406 32.144 31.700 0.062 0.000 1.114 815 Y N 0.199 120.507 120.300 0.013 0.000 2.200 815 Y HA -0.046 4.501 4.550 -0.004 0.000 0.290 815 Y C 0.884 176.803 175.900 0.031 0.000 1.137 815 Y CA 1.796 59.908 58.100 0.020 0.000 1.163 815 Y CB -0.012 38.457 38.460 0.014 0.000 0.988 815 Y HN 0.442 nan 8.280 nan 0.000 0.518 816 S N -0.539 115.163 115.700 0.003 0.000 2.638 816 S HA 0.702 5.170 4.470 -0.004 0.000 0.274 816 S C -1.219 173.404 174.600 0.039 0.000 1.157 816 S CA -0.228 57.933 58.200 -0.065 0.000 0.826 816 S CB 1.671 64.852 63.200 -0.032 0.000 1.139 816 S HN 0.613 nan 8.310 nan 0.000 0.474 817 V N -1.185 118.750 119.914 0.035 0.000 2.971 817 V HA 0.822 4.940 4.120 -0.004 0.000 0.309 817 V C -0.475 175.649 176.094 0.050 0.000 1.130 817 V CA -0.960 61.378 62.300 0.064 0.000 0.964 817 V CB 1.161 33.040 31.823 0.093 0.000 1.029 817 V HN 0.876 nan 8.190 nan 0.000 0.427 818 V N 2.999 122.947 119.914 0.056 0.000 2.686 818 V HA 0.372 4.490 4.120 -0.004 0.000 0.295 818 V C 0.828 176.940 176.094 0.030 0.000 1.055 818 V CA -0.243 62.082 62.300 0.043 0.000 1.050 818 V CB 1.202 33.056 31.823 0.052 0.000 0.984 818 V HN 1.054 nan 8.190 nan 0.000 0.482 819 R N 3.886 124.390 120.500 0.007 0.000 2.491 819 R HA 0.111 4.448 4.340 -0.004 0.000 0.283 819 R C 0.727 177.028 176.300 0.003 0.000 1.072 819 R CA 0.666 56.757 56.100 -0.014 0.000 1.048 819 R CB -0.257 30.022 30.300 -0.035 0.000 0.983 819 R HN 0.926 nan 8.270 nan 0.000 0.450 820 N N 0.848 119.546 118.700 -0.003 0.000 2.741 820 N HA -0.241 4.497 4.740 -0.004 0.000 0.250 820 N C -1.199 174.324 175.510 0.021 0.000 1.115 820 N CA 0.970 54.026 53.050 0.010 0.000 0.724 820 N CB -0.598 37.902 38.487 0.023 0.000 1.090 820 N HN 0.698 nan 8.380 nan 0.000 0.558 821 E N 1.297 121.516 120.200 0.031 0.000 2.145 821 E HA 0.163 4.511 4.350 -0.004 0.000 0.262 821 E C -0.538 176.094 176.600 0.053 0.000 0.883 821 E CA -0.474 55.957 56.400 0.051 0.000 0.748 821 E CB 0.977 30.719 29.700 0.070 0.000 1.140 821 E HN 0.185 nan 8.360 nan 0.000 0.417 822 Q N 2.738 122.542 119.800 0.007 0.000 2.361 822 Q HA 0.208 4.545 4.340 -0.004 0.000 0.276 822 Q C -0.619 175.461 176.000 0.134 0.000 1.022 822 Q CA -0.023 55.739 55.803 -0.068 0.000 0.898 822 Q CB 0.784 29.278 28.738 -0.407 0.000 1.246 822 Q HN 0.420 nan 8.270 nan 0.000 0.410 823 V N -0.111 119.904 119.914 0.168 0.000 3.147 823 V HA 0.603 4.721 4.120 -0.004 0.000 0.306 823 V C -1.315 174.950 176.094 0.285 0.000 1.209 823 V CA -1.053 61.422 62.300 0.290 0.000 1.023 823 V CB 1.983 33.911 31.823 0.174 0.000 1.059 823 V HN 0.902 nan 8.190 nan 0.000 0.435 824 E N 1.977 122.341 120.200 0.272 0.000 2.199 824 E HA 0.723 5.071 4.350 -0.004 0.000 0.269 824 E C -1.228 175.441 176.600 0.115 0.000 0.899 824 E CA -0.898 55.625 56.400 0.204 0.000 0.772 824 E CB 2.081 31.894 29.700 0.189 0.000 1.155 824 E HN 0.883 nan 8.360 nan 0.000 0.408 825 I N 0.432 121.066 120.570 0.107 0.000 2.740 825 I HA 0.615 4.783 4.170 -0.004 0.000 0.303 825 I C -0.649 175.512 176.117 0.075 0.000 1.044 825 I CA -1.167 60.179 61.300 0.076 0.000 1.064 825 I CB 1.940 39.975 38.000 0.059 0.000 1.249 825 I HN 0.228 nan 8.210 nan 0.000 0.433 826 R N 3.684 124.207 120.500 0.039 0.000 2.393 826 R HA 0.695 5.032 4.340 -0.004 0.000 0.310 826 R C -0.755 175.563 176.300 0.031 0.000 0.968 826 R CA -0.801 55.303 56.100 0.007 0.000 0.867 826 R CB 1.988 32.277 30.300 -0.018 0.000 1.124 826 R HN 0.874 nan 8.270 nan 0.000 0.450 827 A N 3.208 126.048 122.820 0.032 0.000 2.249 827 A HA 0.432 4.749 4.320 -0.004 0.000 0.314 827 A C -0.140 177.418 177.584 -0.045 0.000 1.290 827 A CA -0.648 51.413 52.037 0.039 0.000 0.893 827 A CB 0.801 19.887 19.000 0.142 0.000 1.165 827 A HN 0.424 nan 8.150 nan 0.000 0.530 828 V N 4.297 124.175 119.914 -0.060 0.000 2.364 828 V HA 0.267 4.385 4.120 -0.004 0.000 0.272 828 V C -0.428 175.494 176.094 -0.287 0.000 1.036 828 V CA -0.378 61.806 62.300 -0.195 0.000 0.880 828 V CB 0.771 32.483 31.823 -0.184 0.000 0.991 828 V HN 0.708 nan 8.190 nan 0.000 0.460 829 L N 6.217 127.219 121.223 -0.368 0.000 2.289 829 L HA 0.530 4.868 4.340 -0.004 0.000 0.285 829 L C -0.557 175.977 176.870 -0.560 0.000 1.049 829 L CA -0.165 54.469 54.840 -0.343 0.000 0.804 829 L CB 0.846 42.838 42.059 -0.112 0.000 1.195 829 L HN 0.478 nan 8.230 nan 0.000 0.428 830 Y N 1.809 121.771 120.300 -0.563 0.000 2.429 830 Y HA 0.458 5.005 4.550 -0.004 0.000 0.342 830 Y C 0.260 175.914 175.900 -0.411 0.000 1.004 830 Y CA -0.655 57.052 58.100 -0.655 0.000 1.075 830 Y CB 1.761 39.553 38.460 -1.113 0.000 1.214 830 Y HN 0.532 nan 8.280 nan 0.000 0.455 831 N N 2.113 120.671 118.700 -0.236 0.000 2.682 831 N HA 0.171 4.909 4.740 -0.004 0.000 0.252 831 N C -1.259 174.155 175.510 -0.159 0.000 1.081 831 N CA -0.462 52.551 53.050 -0.061 0.000 0.844 831 N CB 0.084 38.563 38.487 -0.013 0.000 1.167 831 N HN 0.596 nan 8.380 nan 0.000 0.523 832 Y N 1.019 121.405 120.300 0.143 0.000 2.470 832 Y HA 0.264 4.812 4.550 -0.004 0.000 0.302 832 Y C 0.739 176.697 175.900 0.095 0.000 1.194 832 Y CA -0.454 57.721 58.100 0.124 0.000 1.271 832 Y CB 0.267 38.815 38.460 0.147 0.000 1.092 832 Y HN 0.141 nan 8.280 nan 0.000 0.513 833 R N 0.592 121.190 120.500 0.163 0.000 2.643 833 R HA -0.009 4.328 4.340 -0.004 0.000 0.270 833 R C 0.942 177.296 176.300 0.090 0.000 1.061 833 R CA 0.032 56.195 56.100 0.105 0.000 1.107 833 R CB 0.834 31.161 30.300 0.044 0.000 0.999 833 R HN 0.263 nan 8.270 nan 0.000 0.460 834 Q N 1.259 121.107 119.800 0.079 0.000 2.250 834 Q HA -0.031 4.307 4.340 -0.004 0.000 0.200 834 Q C -0.420 175.611 176.000 0.052 0.000 0.941 834 Q CA 1.280 57.127 55.803 0.073 0.000 0.872 834 Q CB 0.319 29.098 28.738 0.068 0.000 0.965 834 Q HN 0.660 nan 8.270 nan 0.000 0.480 835 N N -0.356 118.369 118.700 0.042 0.000 2.666 835 N HA 0.213 4.950 4.740 -0.004 0.000 0.253 835 N C -1.594 173.933 175.510 0.028 0.000 1.621 835 N CA -0.356 52.714 53.050 0.033 0.000 0.785 835 N CB 0.508 39.014 38.487 0.031 0.000 1.332 835 N HN 0.010 nan 8.380 nan 0.000 0.514 836 Q N 0.515 120.330 119.800 0.025 0.000 2.613 836 Q HA 0.064 4.402 4.340 -0.004 0.000 0.231 836 Q C -1.637 174.371 176.000 0.013 0.000 0.879 836 Q CA -0.434 55.383 55.803 0.023 0.000 1.083 836 Q CB 1.440 30.189 28.738 0.017 0.000 1.588 836 Q HN 0.488 nan 8.270 nan 0.000 0.500 837 E N 4.265 124.476 120.200 0.018 0.000 2.349 837 E HA 0.509 4.857 4.350 -0.004 0.000 0.262 837 E C -0.918 175.689 176.600 0.012 0.000 1.088 837 E CA -0.614 55.792 56.400 0.010 0.000 0.899 837 E CB 1.288 30.996 29.700 0.014 0.000 1.044 837 E HN 0.468 nan 8.360 nan 0.000 0.420 838 L N 1.675 122.891 121.223 -0.013 0.000 2.362 838 L HA 0.398 4.735 4.340 -0.004 0.000 0.275 838 L C -0.069 176.793 176.870 -0.013 0.000 0.998 838 L CA -0.892 53.924 54.840 -0.040 0.000 0.820 838 L CB 1.845 43.810 42.059 -0.157 0.000 1.270 838 L HN 0.513 nan 8.230 nan 0.000 0.415 839 K N 2.698 123.122 120.400 0.039 0.000 2.262 839 K HA 0.497 4.814 4.320 -0.004 0.000 0.282 839 K C -0.965 175.671 176.600 0.059 0.000 1.066 839 K CA -0.349 55.985 56.287 0.078 0.000 0.901 839 K CB 1.589 34.167 32.500 0.130 0.000 1.089 839 K HN 0.264 nan 8.250 nan 0.000 0.476 840 V N 3.699 123.627 119.914 0.024 0.000 2.667 840 V HA 0.380 4.498 4.120 -0.004 0.000 0.308 840 V C -0.055 176.055 176.094 0.027 0.000 1.048 840 V CA -0.927 61.353 62.300 -0.033 0.000 0.928 840 V CB 1.865 33.676 31.823 -0.021 0.000 1.004 840 V HN 0.653 nan 8.190 nan 0.000 0.444 841 R N 2.292 122.762 120.500 -0.049 0.000 2.255 841 R HA 0.635 4.972 4.340 -0.004 0.000 0.326 841 R C -1.340 174.960 176.300 0.000 0.000 0.986 841 R CA -0.233 55.851 56.100 -0.026 0.000 0.847 841 R CB 1.643 31.879 30.300 -0.107 0.000 1.111 841 R HN 0.521 nan 8.270 nan 0.000 0.452 842 V N 3.914 123.839 119.914 0.019 0.000 2.513 842 V HA 0.434 4.552 4.120 -0.004 0.000 0.299 842 V C -0.847 175.267 176.094 0.033 0.000 1.035 842 V CA -0.420 61.909 62.300 0.050 0.000 0.889 842 V CB 1.843 33.706 31.823 0.066 0.000 0.988 842 V HN 0.840 nan 8.190 nan 0.000 0.440 843 E N 4.319 124.536 120.200 0.028 0.000 2.275 843 E HA 0.408 4.756 4.350 -0.004 0.000 0.270 843 E C -1.889 174.631 176.600 -0.133 0.000 0.882 843 E CA -0.911 55.468 56.400 -0.034 0.000 0.758 843 E CB 2.125 31.811 29.700 -0.023 0.000 1.195 843 E HN 0.653 nan 8.360 nan 0.000 0.419 844 L N 5.251 126.302 121.223 -0.286 0.000 2.260 844 L HA 0.304 4.641 4.340 -0.004 0.000 0.289 844 L C -1.159 175.610 176.870 -0.168 0.000 1.057 844 L CA -0.342 54.227 54.840 -0.452 0.000 0.811 844 L CB 0.557 42.128 42.059 -0.813 0.000 1.184 844 L HN 0.525 nan 8.230 nan 0.000 0.429 845 L N 4.573 125.716 121.223 -0.133 0.000 2.464 845 L HA 0.217 4.555 4.340 -0.004 0.000 0.264 845 L C -0.076 176.792 176.870 -0.002 0.000 1.199 845 L CA 0.172 54.993 54.840 -0.033 0.000 0.818 845 L CB 0.331 42.374 42.059 -0.025 0.000 1.102 845 L HN 0.697 nan 8.230 nan 0.000 0.473 846 H N 2.353 121.411 119.070 -0.020 0.000 2.502 846 H HA 0.449 5.003 4.556 -0.004 0.000 0.327 846 H C -0.695 174.654 175.328 0.035 0.000 1.099 846 H CA -0.322 55.730 56.048 0.007 0.000 1.323 846 H CB 0.731 30.502 29.762 0.016 0.000 1.450 846 H HN 0.527 nan 8.280 nan 0.000 0.502 847 N N 5.164 123.507 118.700 -0.596 0.000 2.480 847 N HA 0.224 4.961 4.740 -0.004 0.000 0.289 847 N C -2.271 172.985 175.510 -0.424 0.000 1.073 847 N CA -2.377 50.475 53.050 -0.329 0.000 0.885 847 N CB 2.040 40.551 38.487 0.041 0.000 1.421 847 N HN 0.397 nan 8.380 nan 0.000 0.503 848 P HA -0.175 nan 4.420 nan 0.000 0.218 848 P C 0.826 178.063 177.300 -0.106 0.000 1.150 848 P CA 1.621 64.653 63.100 -0.113 0.000 0.841 848 P CB 0.258 31.959 31.700 0.002 0.000 0.784 849 A N -2.450 120.286 122.820 -0.140 0.000 2.070 849 A HA -0.089 4.229 4.320 -0.004 0.000 0.220 849 A C 0.693 177.941 177.584 -0.562 0.000 1.159 849 A CA 1.121 52.953 52.037 -0.341 0.000 0.656 849 A CB -0.980 17.756 19.000 -0.440 0.000 0.800 849 A HN 0.139 nan 8.150 nan 0.000 0.453 850 F N -1.797 118.085 119.950 -0.113 0.000 2.507 850 F HA 0.411 4.936 4.527 -0.004 0.000 0.325 850 F C 0.296 176.044 175.800 -0.087 0.000 1.116 850 F CA -1.136 56.809 58.000 -0.092 0.000 0.930 850 F CB 1.223 40.164 39.000 -0.098 0.000 1.146 850 F HN 0.011 nan 8.300 nan 0.000 0.447 851 C N 4.248 123.611 119.300 0.104 0.000 2.482 851 C HA 0.760 5.218 4.460 -0.004 0.000 0.378 851 C C 0.218 175.243 174.990 0.058 0.000 1.284 851 C CA 0.138 59.191 59.018 0.058 0.000 1.826 851 C CB -1.620 26.125 27.740 0.009 0.000 2.473 851 C HN 0.946 nan 8.230 nan 0.000 0.562 852 S N 4.914 120.640 115.700 0.044 0.000 2.727 852 S HA 0.440 4.908 4.470 -0.004 0.000 0.278 852 S C 0.297 174.876 174.600 -0.035 0.000 1.186 852 S CA -0.817 57.383 58.200 0.000 0.000 0.836 852 S CB 0.578 63.789 63.200 0.019 0.000 1.186 852 S HN 0.637 nan 8.310 nan 0.000 0.499 853 L N 0.790 121.934 121.223 -0.131 0.000 2.291 853 L HA 0.250 4.588 4.340 -0.004 0.000 0.214 853 L C 1.527 178.344 176.870 -0.089 0.000 1.120 853 L CA 0.884 55.601 54.840 -0.205 0.000 0.799 853 L CB -0.864 40.897 42.059 -0.496 0.000 0.925 853 L HN 0.809 nan 8.230 nan 0.000 0.446 854 A N 1.017 123.849 122.820 0.020 0.000 2.484 854 A HA 0.368 4.686 4.320 -0.004 0.000 0.268 854 A C 0.551 178.251 177.584 0.193 0.000 1.114 854 A CA 0.232 52.347 52.037 0.129 0.000 0.780 854 A CB -0.273 18.820 19.000 0.154 0.000 1.061 854 A HN 0.362 nan 8.150 nan 0.000 0.505 855 T N -1.236 113.329 114.554 0.019 0.000 2.907 855 T HA 0.444 4.792 4.350 -0.004 0.000 0.290 855 T C 1.136 175.502 174.700 -0.556 0.000 1.066 855 T CA 0.243 62.217 62.100 -0.209 0.000 1.012 855 T CB 1.114 69.913 68.868 -0.114 0.000 1.184 855 T HN 0.671 nan 8.240 nan 0.000 0.522 856 T N -0.064 114.046 114.554 -0.739 0.000 2.680 856 T HA -0.170 4.178 4.350 -0.004 0.000 0.268 856 T C 1.106 175.672 174.700 -0.224 0.000 1.033 856 T CA 1.924 63.729 62.100 -0.492 0.000 1.152 856 T CB -0.566 68.151 68.868 -0.252 0.000 0.859 856 T HN 0.701 nan 8.240 nan 0.000 0.452 857 K N -0.174 120.134 120.400 -0.154 0.000 2.564 857 K HA 0.339 4.657 4.320 -0.004 0.000 0.205 857 K C 0.033 176.601 176.600 -0.052 0.000 1.053 857 K CA -0.251 55.990 56.287 -0.077 0.000 1.072 857 K CB 0.818 33.288 32.500 -0.051 0.000 0.822 857 K HN 0.065 nan 8.250 nan 0.000 0.497 858 R N 1.145 121.609 120.500 -0.059 0.000 2.512 858 R HA 0.289 4.627 4.340 -0.004 0.000 0.291 858 R C -1.031 175.274 176.300 0.010 0.000 1.097 858 R CA -0.576 55.514 56.100 -0.018 0.000 0.940 858 R CB 1.225 31.514 30.300 -0.020 0.000 1.198 858 R HN 0.052 nan 8.270 nan 0.000 0.429 859 R N 1.394 121.916 120.500 0.037 0.000 2.679 859 R HA 0.096 4.433 4.340 -0.004 0.000 0.269 859 R C -0.029 176.354 176.300 0.138 0.000 1.076 859 R CA -0.155 55.987 56.100 0.071 0.000 1.160 859 R CB 0.659 30.992 30.300 0.054 0.000 1.054 859 R HN 0.514 nan 8.270 nan 0.000 0.507 860 H N 2.429 121.514 119.070 0.025 0.000 2.697 860 H HA 0.140 4.694 4.556 -0.004 0.000 0.270 860 H C -1.100 174.273 175.328 0.074 0.000 1.188 860 H CA -0.656 55.422 56.048 0.050 0.000 1.322 860 H CB 0.565 30.362 29.762 0.059 0.000 1.405 860 H HN 0.520 nan 8.280 nan 0.000 0.502 861 Q N 3.812 123.636 119.800 0.041 0.000 2.330 861 Q HA 0.357 4.695 4.340 -0.004 0.000 0.269 861 Q C -1.063 174.906 176.000 -0.051 0.000 1.022 861 Q CA -1.133 54.649 55.803 -0.035 0.000 0.796 861 Q CB 2.670 31.413 28.738 0.009 0.000 1.271 861 Q HN 0.478 nan 8.270 nan 0.000 0.450 862 Q N 0.844 120.587 119.800 -0.096 0.000 2.205 862 Q HA 0.512 4.849 4.340 -0.004 0.000 0.249 862 Q C -0.792 175.168 176.000 -0.067 0.000 0.948 862 Q CA -0.251 55.482 55.803 -0.116 0.000 0.895 862 Q CB 2.083 30.733 28.738 -0.148 0.000 1.249 862 Q HN 0.563 nan 8.270 nan 0.000 0.458 863 T N 1.389 115.889 114.554 -0.091 0.000 2.791 863 T HA 0.579 4.927 4.350 -0.004 0.000 0.288 863 T C -0.993 173.696 174.700 -0.018 0.000 0.999 863 T CA -0.617 61.483 62.100 -0.001 0.000 0.952 863 T CB 0.564 69.477 68.868 0.075 0.000 0.938 863 T HN 0.447 nan 8.240 nan 0.000 0.444 864 V N 1.330 121.254 119.914 0.016 0.000 3.001 864 V HA 0.885 5.003 4.120 -0.004 0.000 0.314 864 V C -0.456 175.658 176.094 0.033 0.000 1.099 864 V CA -0.808 61.501 62.300 0.015 0.000 0.989 864 V CB 2.294 34.111 31.823 -0.011 0.000 1.040 864 V HN 0.692 nan 8.190 nan 0.000 0.434 865 T N 4.312 118.883 114.554 0.028 0.000 2.809 865 T HA 0.642 4.990 4.350 -0.004 0.000 0.296 865 T C -0.342 174.357 174.700 -0.001 0.000 1.015 865 T CA 0.075 62.188 62.100 0.022 0.000 0.954 865 T CB 0.457 69.345 68.868 0.033 0.000 0.950 865 T HN 0.625 nan 8.240 nan 0.000 0.450 866 I N 6.022 126.587 120.570 -0.010 0.000 2.304 866 I HA 0.318 4.486 4.170 -0.004 0.000 0.291 866 I C -2.094 174.006 176.117 -0.029 0.000 1.018 866 I CA -2.445 58.837 61.300 -0.029 0.000 1.260 866 I CB 1.048 39.034 38.000 -0.025 0.000 1.390 866 I HN 0.313 nan 8.210 nan 0.000 0.475 867 P HA 0.187 nan 4.420 nan 0.000 0.274 867 P C -2.559 174.726 177.300 -0.025 0.000 1.260 867 P CA -1.265 61.820 63.100 -0.025 0.000 0.793 867 P CB -0.404 31.278 31.700 -0.030 0.000 1.048 868 P HA 0.091 nan 4.420 nan 0.000 0.272 868 P C -0.504 176.798 177.300 0.005 0.000 1.230 868 P CA -0.093 63.010 63.100 0.004 0.000 0.788 868 P CB 0.029 31.742 31.700 0.022 0.000 0.949 869 K N -0.845 119.565 120.400 0.017 0.000 3.156 869 K HA -0.117 4.201 4.320 -0.004 0.000 0.266 869 K C -0.136 176.459 176.600 -0.009 0.000 0.966 869 K CA 0.810 57.126 56.287 0.047 0.000 0.719 869 K CB -2.073 30.489 32.500 0.103 0.000 1.333 869 K HN 0.786 nan 8.250 nan 0.000 0.468 870 S N -2.213 113.415 115.700 -0.119 0.000 2.636 870 S HA 0.715 5.182 4.470 -0.004 0.000 0.268 870 S C -0.669 173.805 174.600 -0.210 0.000 1.159 870 S CA -0.461 57.681 58.200 -0.097 0.000 0.815 870 S CB 2.260 65.439 63.200 -0.034 0.000 1.130 870 S HN 0.370 nan 8.310 nan 0.000 0.471 871 S N 0.067 115.639 115.700 -0.212 0.000 2.697 871 S HA 0.892 5.360 4.470 -0.004 0.000 0.289 871 S C -1.336 173.101 174.600 -0.273 0.000 1.149 871 S CA -0.904 57.052 58.200 -0.406 0.000 0.850 871 S CB 1.587 64.335 63.200 -0.755 0.000 1.151 871 S HN 1.379 nan 8.310 nan 0.000 0.491 872 L N 0.889 121.920 121.223 -0.319 0.000 2.562 872 L HA 0.543 4.881 4.340 -0.004 0.000 0.266 872 L C -1.050 175.699 176.870 -0.202 0.000 0.949 872 L CA -0.214 54.509 54.840 -0.194 0.000 0.879 872 L CB 2.177 44.156 42.059 -0.135 0.000 1.278 872 L HN 0.842 nan 8.230 nan 0.000 0.404 873 S N 2.673 118.282 115.700 -0.152 0.000 2.523 873 S HA 0.510 4.978 4.470 -0.004 0.000 0.275 873 S C -0.448 174.066 174.600 -0.143 0.000 1.281 873 S CA -0.375 57.742 58.200 -0.138 0.000 1.050 873 S CB 1.319 64.460 63.200 -0.098 0.000 0.937 873 S HN 0.361 nan 8.310 nan 0.000 0.492 874 V N 7.100 126.911 119.914 -0.172 0.000 2.349 874 V HA 0.357 4.475 4.120 -0.004 0.000 0.284 874 V C -2.320 173.538 176.094 -0.394 0.000 1.014 874 V CA -1.912 60.219 62.300 -0.281 0.000 0.826 874 V CB 1.341 32.991 31.823 -0.287 0.000 1.009 874 V HN 0.638 nan 8.190 nan 0.000 0.431 875 P HA 0.469 nan 4.420 nan 0.000 0.281 875 P C -1.530 175.491 177.300 -0.464 0.000 1.249 875 P CA -0.447 62.489 63.100 -0.274 0.000 0.810 875 P CB 0.655 32.282 31.700 -0.122 0.000 1.008 876 Y N -0.159 120.163 120.300 0.037 0.000 2.331 876 Y HA 0.304 4.851 4.550 -0.004 0.000 0.326 876 Y C 0.032 175.963 175.900 0.051 0.000 1.020 876 Y CA -1.164 56.973 58.100 0.063 0.000 1.136 876 Y CB 1.662 40.143 38.460 0.035 0.000 1.157 876 Y HN 0.134 nan 8.280 nan 0.000 0.444 877 V N 4.226 124.254 119.914 0.189 0.000 2.432 877 V HA 0.725 4.843 4.120 -0.004 0.000 0.271 877 V C -0.104 176.021 176.094 0.052 0.000 1.046 877 V CA -0.480 61.881 62.300 0.102 0.000 0.945 877 V CB 0.304 32.131 31.823 0.007 0.000 0.992 877 V HN 0.668 nan 8.190 nan 0.000 0.471 878 I N 2.642 123.242 120.570 0.049 0.000 2.894 878 I HA 0.863 5.030 4.170 -0.004 0.000 0.302 878 I C -1.056 175.115 176.117 0.089 0.000 1.188 878 I CA -1.148 60.188 61.300 0.060 0.000 1.014 878 I CB 2.556 40.582 38.000 0.045 0.000 1.242 878 I HN 0.357 nan 8.210 nan 0.000 0.430 879 V N 3.984 123.961 119.914 0.106 0.000 2.350 879 V HA 0.461 4.579 4.120 -0.004 0.000 0.285 879 V C -2.327 173.832 176.094 0.109 0.000 1.014 879 V CA -1.576 60.770 62.300 0.078 0.000 0.831 879 V CB 1.284 33.103 31.823 -0.007 0.000 1.000 879 V HN 0.642 nan 8.190 nan 0.000 0.433 880 P HA 0.307 nan 4.420 nan 0.000 0.276 880 P C 0.131 177.322 177.300 -0.182 0.000 1.235 880 P CA -0.027 62.968 63.100 -0.176 0.000 0.772 880 P CB 1.756 33.403 31.700 -0.087 0.000 0.871 881 L N 1.344 122.402 121.223 -0.276 0.000 2.577 881 L HA 0.296 4.633 4.340 -0.004 0.000 0.225 881 L C 1.273 178.061 176.870 -0.138 0.000 1.053 881 L CA 0.408 55.162 54.840 -0.143 0.000 0.866 881 L CB -0.041 41.958 42.059 -0.100 0.000 1.132 881 L HN 0.314 nan 8.230 nan 0.000 0.486 882 K N 0.278 120.545 120.400 -0.221 0.000 2.221 882 K HA 0.338 4.656 4.320 -0.004 0.000 0.258 882 K C -0.241 176.256 176.600 -0.171 0.000 0.944 882 K CA -0.343 55.844 56.287 -0.168 0.000 0.823 882 K CB 2.079 34.478 32.500 -0.168 0.000 1.113 882 K HN -0.268 nan 8.250 nan 0.000 0.431 883 T N 1.370 115.854 114.554 -0.117 0.000 2.788 883 T HA 0.547 4.894 4.350 -0.004 0.000 0.287 883 T C 0.113 174.758 174.700 -0.092 0.000 1.007 883 T CA 1.018 63.058 62.100 -0.100 0.000 1.005 883 T CB 0.532 69.349 68.868 -0.086 0.000 1.012 883 T HN 0.912 nan 8.240 nan 0.000 0.530 884 G N 0.970 109.725 108.800 -0.075 0.000 2.582 884 G HA2 -0.072 3.886 3.960 -0.004 0.000 0.222 884 G HA3 -0.072 3.886 3.960 -0.004 0.000 0.222 884 G C -1.066 173.803 174.900 -0.051 0.000 1.311 884 G CA -0.407 44.658 45.100 -0.059 0.000 0.915 884 G HN 0.876 nan 8.290 nan 0.000 0.528 885 L N 1.290 122.491 121.223 -0.036 0.000 2.418 885 L HA 0.567 4.905 4.340 -0.004 0.000 0.274 885 L C 0.361 177.232 176.870 0.002 0.000 1.135 885 L CA 0.267 55.094 54.840 -0.021 0.000 0.870 885 L CB 0.671 42.721 42.059 -0.015 0.000 1.154 885 L HN 0.634 nan 8.230 nan 0.000 0.462 886 Q N 3.914 123.739 119.800 0.041 0.000 2.495 886 Q HA 0.459 4.797 4.340 -0.004 0.000 0.287 886 Q C -1.249 174.862 176.000 0.184 0.000 1.078 886 Q CA -0.652 55.219 55.803 0.113 0.000 0.793 886 Q CB 2.364 31.165 28.738 0.105 0.000 1.459 886 Q HN 0.595 nan 8.270 nan 0.000 0.422 887 E N 0.672 121.011 120.200 0.231 0.000 2.210 887 E HA 0.552 4.900 4.350 -0.004 0.000 0.266 887 E C -1.348 175.268 176.600 0.027 0.000 0.883 887 E CA -0.569 55.899 56.400 0.114 0.000 0.761 887 E CB 1.859 31.605 29.700 0.076 0.000 1.156 887 E HN 0.260 nan 8.360 nan 0.000 0.412 888 V N 3.481 123.334 119.914 -0.103 0.000 2.555 888 V HA 0.410 4.528 4.120 -0.004 0.000 0.302 888 V C -0.494 175.525 176.094 -0.126 0.000 1.038 888 V CA -0.685 61.471 62.300 -0.239 0.000 0.887 888 V CB 1.755 33.374 31.823 -0.339 0.000 0.991 888 V HN 0.721 nan 8.190 nan 0.000 0.434 889 E N 2.683 122.801 120.200 -0.136 0.000 2.241 889 E HA 0.644 4.992 4.350 -0.004 0.000 0.263 889 E C -1.365 175.166 176.600 -0.115 0.000 0.882 889 E CA -0.520 55.834 56.400 -0.078 0.000 0.769 889 E CB 2.193 31.870 29.700 -0.037 0.000 1.185 889 E HN 0.667 nan 8.360 nan 0.000 0.415 890 V N 1.567 121.433 119.914 -0.080 0.000 2.715 890 V HA 0.715 4.832 4.120 -0.004 0.000 0.310 890 V C -1.037 175.053 176.094 -0.006 0.000 1.054 890 V CA -0.548 61.706 62.300 -0.078 0.000 0.928 890 V CB 1.719 33.506 31.823 -0.060 0.000 1.007 890 V HN 0.634 nan 8.190 nan 0.000 0.437 891 K N 2.975 123.379 120.400 0.007 0.000 2.395 891 K HA 0.961 5.278 4.320 -0.004 0.000 0.245 891 K C -1.022 175.620 176.600 0.070 0.000 1.017 891 K CA -0.549 55.764 56.287 0.044 0.000 0.852 891 K CB 2.449 34.970 32.500 0.035 0.000 1.311 891 K HN 1.219 nan 8.250 nan 0.000 0.452 892 A N 0.729 123.619 122.820 0.118 0.000 2.480 892 A HA 0.672 4.990 4.320 -0.004 0.000 0.289 892 A C -1.658 176.037 177.584 0.185 0.000 1.044 892 A CA -0.588 51.555 52.037 0.176 0.000 0.761 892 A CB 1.349 20.543 19.000 0.323 0.000 1.289 892 A HN 0.653 nan 8.150 nan 0.000 0.401 893 A N 1.255 124.094 122.820 0.032 0.000 2.325 893 A HA 0.828 5.146 4.320 -0.004 0.000 0.333 893 A C 0.036 177.496 177.584 -0.206 0.000 1.155 893 A CA -0.104 51.895 52.037 -0.064 0.000 0.814 893 A CB 1.252 20.173 19.000 -0.131 0.000 1.206 893 A HN 2.242 nan 8.150 nan 0.000 0.482 894 V N 1.553 121.308 119.914 -0.266 0.000 2.427 894 V HA 0.612 4.730 4.120 -0.004 0.000 0.286 894 V C -0.687 175.274 176.094 -0.221 0.000 1.034 894 V CA -0.724 61.396 62.300 -0.300 0.000 0.893 894 V CB 0.340 31.909 31.823 -0.424 0.000 0.982 894 V HN 0.733 nan 8.190 nan 0.000 0.452 895 Y N 5.844 126.001 120.300 -0.239 0.000 2.550 895 Y HA 0.238 4.786 4.550 -0.004 0.000 0.343 895 Y C 1.540 177.182 175.900 -0.429 0.000 1.245 895 Y CA 1.571 59.391 58.100 -0.466 0.000 1.462 895 Y CB 0.171 38.153 38.460 -0.797 0.000 1.340 895 Y HN 0.984 nan 8.280 nan 0.000 0.604 896 H N -0.255 118.823 119.070 0.014 0.000 3.211 896 H HA -0.220 4.334 4.556 -0.004 0.000 0.240 896 H C -0.729 174.205 175.328 -0.655 0.000 1.148 896 H CA 1.211 57.096 56.048 -0.271 0.000 1.160 896 H CB -2.169 27.428 29.762 -0.275 0.000 1.232 896 H HN 0.671 nan 8.280 nan 0.000 0.321 897 H N -1.188 117.761 119.070 -0.202 0.000 3.012 897 H HA 0.216 4.770 4.556 -0.004 0.000 0.367 897 H C -0.065 175.062 175.328 -0.334 0.000 1.211 897 H CA -0.785 55.063 56.048 -0.334 0.000 1.139 897 H CB 0.686 30.351 29.762 -0.161 0.000 1.838 897 H HN -0.027 nan 8.280 nan 0.000 0.550 898 F N 2.228 122.268 119.950 0.151 0.000 2.669 898 F HA 0.213 4.738 4.527 -0.004 0.000 0.353 898 F C 0.160 176.014 175.800 0.089 0.000 1.192 898 F CA -0.062 57.992 58.000 0.090 0.000 1.317 898 F CB -0.101 38.944 39.000 0.075 0.000 1.652 898 F HN 0.089 nan 8.300 nan 0.000 0.608 899 I N 1.417 122.086 120.570 0.165 0.000 2.499 899 I HA 0.386 4.554 4.170 -0.004 0.000 0.288 899 I C -0.143 176.038 176.117 0.108 0.000 1.048 899 I CA -0.641 60.734 61.300 0.124 0.000 1.062 899 I CB 1.734 39.743 38.000 0.014 0.000 1.238 899 I HN 0.278 nan 8.210 nan 0.000 0.426 900 S N 4.105 119.926 115.700 0.202 0.000 2.638 900 S HA 0.872 5.340 4.470 -0.004 0.000 0.274 900 S C -1.414 173.373 174.600 0.311 0.000 1.157 900 S CA -0.713 57.626 58.200 0.231 0.000 0.826 900 S CB 3.292 66.577 63.200 0.141 0.000 1.139 900 S HN 0.559 nan 8.310 nan 0.000 0.474 901 D N -1.960 118.608 120.400 0.280 0.000 2.653 901 D HA 0.684 5.321 4.640 -0.004 0.000 0.258 901 D C -0.901 175.478 176.300 0.130 0.000 1.252 901 D CA 0.097 54.209 54.000 0.187 0.000 0.777 901 D CB 1.821 42.687 40.800 0.111 0.000 1.339 901 D HN 1.083 nan 8.370 nan 0.000 0.422 902 G N -0.171 108.692 108.800 0.106 0.000 2.702 902 G HA2 0.522 4.479 3.960 -0.004 0.000 0.296 902 G HA3 0.522 4.479 3.960 -0.004 0.000 0.296 902 G C -1.879 173.090 174.900 0.115 0.000 1.463 902 G CA -0.446 44.706 45.100 0.088 0.000 0.890 902 G HN 0.433 nan 8.290 nan 0.000 0.534 903 V N 1.185 121.160 119.914 0.101 0.000 2.531 903 V HA 0.626 4.744 4.120 -0.004 0.000 0.301 903 V C 0.036 176.205 176.094 0.126 0.000 1.034 903 V CA -0.810 61.582 62.300 0.153 0.000 0.865 903 V CB 1.888 33.746 31.823 0.059 0.000 0.995 903 V HN 0.735 nan 8.190 nan 0.000 0.424 904 R N 3.995 124.625 120.500 0.217 0.000 2.396 904 R HA 0.456 4.794 4.340 -0.004 0.000 0.292 904 R C -0.347 176.084 176.300 0.218 0.000 1.240 904 R CA -0.379 55.809 56.100 0.146 0.000 1.270 904 R CB 0.627 30.984 30.300 0.095 0.000 1.108 904 R HN 0.663 nan 8.270 nan 0.000 0.573 905 K N 0.579 121.059 120.400 0.133 0.000 2.210 905 K HA 0.499 4.816 4.320 -0.004 0.000 0.236 905 K C -0.490 176.149 176.600 0.065 0.000 1.016 905 K CA -0.669 55.690 56.287 0.121 0.000 0.913 905 K CB 1.900 34.413 32.500 0.021 0.000 1.141 905 K HN 0.260 nan 8.250 nan 0.000 0.462 906 S N 0.640 116.377 115.700 0.061 0.000 2.599 906 S HA 0.632 5.099 4.470 -0.004 0.000 0.294 906 S C -1.259 173.352 174.600 0.018 0.000 1.094 906 S CA -0.956 57.270 58.200 0.043 0.000 0.931 906 S CB 1.099 64.325 63.200 0.045 0.000 1.093 906 S HN 0.526 nan 8.310 nan 0.000 0.488 907 L N -0.857 120.379 121.223 0.022 0.000 2.424 907 L HA 0.708 5.046 4.340 -0.004 0.000 0.258 907 L C -1.320 175.524 176.870 -0.044 0.000 0.995 907 L CA -1.076 53.748 54.840 -0.027 0.000 0.821 907 L CB 1.698 43.759 42.059 0.003 0.000 1.383 907 L HN 0.377 nan 8.230 nan 0.000 0.410 908 K N 2.281 122.587 120.400 -0.157 0.000 2.310 908 K HA 0.442 4.759 4.320 -0.004 0.000 0.290 908 K C -0.749 175.800 176.600 -0.086 0.000 1.077 908 K CA -0.525 55.672 56.287 -0.151 0.000 0.922 908 K CB 1.631 33.963 32.500 -0.280 0.000 1.057 908 K HN 0.426 nan 8.250 nan 0.000 0.479 909 V N 4.054 123.939 119.914 -0.048 0.000 2.546 909 V HA 0.256 4.373 4.120 -0.004 0.000 0.284 909 V C 0.172 176.239 176.094 -0.045 0.000 1.050 909 V CA -0.683 61.594 62.300 -0.039 0.000 0.981 909 V CB 1.370 33.151 31.823 -0.070 0.000 0.990 909 V HN 0.422 nan 8.190 nan 0.000 0.474 910 V N 5.630 125.529 119.914 -0.024 0.000 2.962 910 V HA 0.462 4.580 4.120 -0.004 0.000 0.313 910 V C -2.192 173.891 176.094 -0.019 0.000 1.099 910 V CA -1.715 60.575 62.300 -0.017 0.000 0.971 910 V CB 2.122 33.963 31.823 0.029 0.000 1.028 910 V HN 0.675 nan 8.190 nan 0.000 0.430 911 P HA 0.175 nan 4.420 nan 0.000 0.321 911 P C 0.141 177.460 177.300 0.032 0.000 1.338 911 P CA 0.028 63.105 63.100 -0.038 0.000 0.764 911 P CB 0.555 32.178 31.700 -0.129 0.000 1.641 912 E N -0.652 119.583 120.200 0.057 0.000 3.271 912 E HA 0.193 4.541 4.350 -0.004 0.000 0.331 912 E C 1.530 178.200 176.600 0.117 0.000 0.732 912 E CA 0.363 56.810 56.400 0.077 0.000 1.395 912 E CB -1.506 28.227 29.700 0.055 0.000 2.445 912 E HN 0.476 nan 8.360 nan 0.000 0.544 913 G N 2.638 111.494 108.800 0.093 0.000 2.461 913 G HA2 -0.239 3.719 3.960 -0.004 0.000 0.965 913 G HA3 -0.239 3.719 3.960 -0.004 0.000 0.965 913 G C 0.389 175.269 174.900 -0.034 0.000 1.389 913 G CA 1.003 46.127 45.100 0.040 0.000 0.877 913 G HN 0.398 nan 8.290 nan 0.000 0.524 914 I N -2.256 118.199 120.570 -0.191 0.000 3.169 914 I HA 0.311 4.479 4.170 -0.004 0.000 0.315 914 I C -0.849 174.996 176.117 -0.454 0.000 1.433 914 I CA -0.871 60.264 61.300 -0.275 0.000 0.915 914 I CB 1.658 39.568 38.000 -0.149 0.000 1.292 914 I HN 0.694 nan 8.210 nan 0.000 0.532 915 R N 2.739 123.031 120.500 -0.346 0.000 2.297 915 R HA 0.618 4.955 4.340 -0.004 0.000 0.308 915 R C -0.872 175.288 176.300 -0.232 0.000 1.029 915 R CA -0.466 55.443 56.100 -0.318 0.000 0.929 915 R CB 0.942 31.122 30.300 -0.198 0.000 1.046 915 R HN 0.314 nan 8.270 nan 0.000 0.461 916 M N 3.011 122.479 119.600 -0.220 0.000 2.053 916 M HA 0.288 4.766 4.480 -0.004 0.000 0.297 916 M C -1.148 175.169 176.300 0.028 0.000 0.921 916 M CA -1.070 54.172 55.300 -0.097 0.000 0.918 916 M CB 1.564 34.093 32.600 -0.117 0.000 1.499 916 M HN 0.499 nan 8.290 nan 0.000 0.422 917 N N 2.940 121.652 118.700 0.019 0.000 2.529 917 N HA 0.555 5.292 4.740 -0.004 0.000 0.278 917 N C -0.660 174.883 175.510 0.056 0.000 1.146 917 N CA -0.231 52.842 53.050 0.039 0.000 0.980 917 N CB 1.416 39.915 38.487 0.020 0.000 1.124 917 N HN 0.460 nan 8.380 nan 0.000 0.458 918 K N 0.243 120.679 120.400 0.060 0.000 2.580 918 K HA 0.284 4.602 4.320 -0.004 0.000 0.258 918 K C -1.606 175.021 176.600 0.045 0.000 0.936 918 K CA -0.468 55.852 56.287 0.054 0.000 0.852 918 K CB 1.131 33.674 32.500 0.071 0.000 1.329 918 K HN 0.540 nan 8.250 nan 0.000 0.430 919 T N 2.047 116.621 114.554 0.034 0.000 2.867 919 T HA 0.264 4.612 4.350 -0.004 0.000 0.282 919 T C 0.823 175.537 174.700 0.022 0.000 1.000 919 T CA -0.670 61.448 62.100 0.030 0.000 1.042 919 T CB 1.769 70.653 68.868 0.025 0.000 0.973 919 T HN 0.325 nan 8.240 nan 0.000 0.465 920 V N 0.554 120.481 119.914 0.021 0.000 2.908 920 V HA 0.470 4.588 4.120 -0.004 0.000 0.240 920 V C 0.884 176.980 176.094 0.003 0.000 1.117 920 V CA 0.468 62.771 62.300 0.006 0.000 1.133 920 V CB -0.079 31.742 31.823 -0.004 0.000 0.857 920 V HN 0.986 nan 8.190 nan 0.000 0.478 921 A N 0.349 123.177 122.820 0.013 0.000 2.454 921 A HA 0.739 5.057 4.320 -0.004 0.000 0.302 921 A C -0.862 176.733 177.584 0.017 0.000 1.079 921 A CA -0.140 51.904 52.037 0.012 0.000 0.731 921 A CB 2.222 21.229 19.000 0.013 0.000 1.299 921 A HN 0.755 nan 8.150 nan 0.000 0.413 922 V N -0.002 119.920 119.914 0.014 0.000 2.462 922 V HA 0.488 4.606 4.120 -0.004 0.000 0.257 922 V C -0.317 175.785 176.094 0.013 0.000 0.944 922 V CA -0.944 61.365 62.300 0.015 0.000 0.903 922 V CB -0.056 31.774 31.823 0.013 0.000 1.128 922 V HN 0.771 nan 8.190 nan 0.000 0.486 923 R N 0.919 121.428 120.500 0.016 0.000 2.541 923 R HA 0.729 5.067 4.340 -0.004 0.000 0.263 923 R C -0.127 176.181 176.300 0.014 0.000 1.112 923 R CA -0.406 55.703 56.100 0.014 0.000 1.170 923 R CB 0.948 31.259 30.300 0.017 0.000 1.167 923 R HN 0.568 nan 8.270 nan 0.000 0.582 924 T N 1.757 116.318 114.554 0.012 0.000 2.985 924 T HA 0.311 4.658 4.350 -0.004 0.000 0.315 924 T C 0.113 174.819 174.700 0.011 0.000 1.001 924 T CA -0.552 61.555 62.100 0.010 0.000 1.016 924 T CB 0.502 69.374 68.868 0.007 0.000 0.993 924 T HN 0.238 nan 8.240 nan 0.000 0.454 925 L N 3.571 124.802 121.223 0.013 0.000 2.376 925 L HA 0.271 4.609 4.340 -0.004 0.000 0.250 925 L C 0.485 177.361 176.870 0.010 0.000 1.335 925 L CA -0.009 54.839 54.840 0.013 0.000 1.214 925 L CB -0.262 41.806 42.059 0.015 0.000 1.395 925 L HN 0.533 nan 8.230 nan 0.000 0.424 926 D N 2.859 123.265 120.400 0.009 0.000 2.432 926 D HA 0.292 4.930 4.640 -0.004 0.000 0.265 926 D C -2.486 173.820 176.300 0.011 0.000 1.160 926 D CA -1.697 52.307 54.000 0.007 0.000 0.911 926 D CB 1.640 42.441 40.800 0.003 0.000 1.052 926 D HN 0.080 nan 8.370 nan 0.000 0.508 927 P HA 0.121 nan 4.420 nan 0.000 0.272 927 P C -0.029 177.284 177.300 0.022 0.000 1.240 927 P CA 0.139 63.250 63.100 0.018 0.000 0.791 927 P CB 0.479 32.191 31.700 0.020 0.000 0.978 928 E N -1.223 118.992 120.200 0.026 0.000 3.170 928 E HA -0.260 4.088 4.350 -0.004 0.000 0.284 928 E C -0.249 176.366 176.600 0.024 0.000 0.967 928 E CA 0.678 57.096 56.400 0.030 0.000 0.919 928 E CB -0.915 28.809 29.700 0.040 0.000 1.469 928 E HN 0.466 nan 8.360 nan 0.000 0.444 929 R N -0.211 120.300 120.500 0.018 0.000 2.718 929 R HA 0.281 4.619 4.340 -0.004 0.000 0.266 929 R C 0.456 176.762 176.300 0.010 0.000 1.776 929 R CA -0.151 55.957 56.100 0.012 0.000 1.567 929 R CB 0.353 30.658 30.300 0.008 0.000 1.336 929 R HN 0.145 nan 8.270 nan 0.000 0.619 930 L N -0.919 120.311 121.223 0.011 0.000 5.188 930 L HA -0.311 4.026 4.340 -0.004 0.000 0.431 930 L C 1.501 178.377 176.870 0.011 0.000 1.017 930 L CA 1.356 56.202 54.840 0.010 0.000 1.195 930 L CB -0.983 41.080 42.059 0.007 0.000 1.860 930 L HN 0.722 nan 8.230 nan 0.000 0.691 931 G N -0.582 108.226 108.800 0.013 0.000 2.511 931 G HA2 0.120 4.078 3.960 -0.004 0.000 0.217 931 G HA3 0.120 4.078 3.960 -0.004 0.000 0.217 931 G C 0.745 175.654 174.900 0.016 0.000 1.133 931 G CA 0.772 45.881 45.100 0.014 0.000 0.792 931 G HN 0.434 nan 8.290 nan 0.000 0.539 932 R N -1.629 118.882 120.500 0.018 0.000 4.000 932 R HA -0.163 4.175 4.340 -0.004 0.000 0.425 932 R C 0.877 177.191 176.300 0.023 0.000 0.241 932 R CA 0.798 56.910 56.100 0.019 0.000 1.350 932 R CB -1.018 29.292 30.300 0.016 0.000 1.117 932 R HN 0.386 nan 8.270 nan 0.000 0.506 933 E N 0.301 120.515 120.200 0.023 0.000 2.150 933 E HA -0.059 4.289 4.350 -0.004 0.000 0.193 933 E C 1.264 177.878 176.600 0.024 0.000 0.985 933 E CA 1.244 57.659 56.400 0.026 0.000 0.814 933 E CB -0.037 29.678 29.700 0.025 0.000 0.752 933 E HN 0.583 nan 8.360 nan 0.000 0.466 934 G N 2.006 110.818 108.800 0.021 0.000 3.401 934 G HA2 0.256 4.214 3.960 -0.004 0.000 0.251 934 G HA3 0.256 4.214 3.960 -0.004 0.000 0.251 934 G C 0.347 175.258 174.900 0.020 0.000 0.960 934 G CA -0.284 44.828 45.100 0.019 0.000 1.900 934 G HN 0.140 nan 8.290 nan 0.000 0.645 935 V N -1.361 118.566 119.914 0.022 0.000 4.901 935 V HA -0.279 3.839 4.120 -0.004 0.000 0.392 935 V C 0.607 176.713 176.094 0.020 0.000 1.006 935 V CA 0.613 62.926 62.300 0.021 0.000 1.541 935 V CB -1.421 30.415 31.823 0.022 0.000 1.687 935 V HN 0.920 nan 8.190 nan 0.000 0.464 936 Q N 4.142 123.954 119.800 0.019 0.000 3.359 936 Q HA -0.111 4.226 4.340 -0.004 0.000 0.378 936 Q C 0.584 176.596 176.000 0.019 0.000 1.043 936 Q CA 1.413 57.227 55.803 0.018 0.000 1.248 936 Q CB 0.191 28.939 28.738 0.017 0.000 0.987 936 Q HN 1.002 nan 8.270 nan 0.000 0.436 937 K N 3.273 123.684 120.400 0.018 0.000 2.367 937 K HA 0.424 4.742 4.320 -0.004 0.000 0.263 937 K C -0.881 175.730 176.600 0.019 0.000 1.000 937 K CA -0.730 55.569 56.287 0.020 0.000 0.891 937 K CB 1.684 34.195 32.500 0.019 0.000 1.117 937 K HN 0.376 nan 8.250 nan 0.000 0.443 938 E N 2.047 122.262 120.200 0.024 0.000 2.222 938 E HA 0.259 4.607 4.350 -0.004 0.000 0.272 938 E C -1.417 175.198 176.600 0.025 0.000 0.982 938 E CA -0.625 55.789 56.400 0.023 0.000 0.842 938 E CB 1.407 31.125 29.700 0.028 0.000 1.144 938 E HN 0.568 nan 8.360 nan 0.000 0.397 939 D N 2.001 122.409 120.400 0.013 0.000 2.696 939 D HA 0.379 5.016 4.640 -0.004 0.000 0.251 939 D C -1.000 175.289 176.300 -0.019 0.000 1.188 939 D CA -0.250 53.750 54.000 0.001 0.000 0.876 939 D CB 1.194 41.988 40.800 -0.011 0.000 1.334 939 D HN 0.255 nan 8.370 nan 0.000 0.540 940 I N 3.696 124.243 120.570 -0.037 0.000 2.466 940 I HA 0.303 4.470 4.170 -0.004 0.000 0.279 940 I C -2.193 173.770 176.117 -0.256 0.000 1.033 940 I CA -1.963 59.286 61.300 -0.085 0.000 1.123 940 I CB 1.453 39.448 38.000 -0.007 0.000 1.237 940 I HN 0.069 nan 8.210 nan 0.000 0.460 941 P HA 0.176 nan 4.420 nan 0.000 0.274 941 P C -2.367 174.692 177.300 -0.401 0.000 1.264 941 P CA -0.574 62.349 63.100 -0.297 0.000 0.795 941 P CB -0.317 31.284 31.700 -0.164 0.000 1.064 942 P HA 0.294 nan 4.420 nan 0.000 0.312 942 P C -1.072 176.151 177.300 -0.129 0.000 1.308 942 P CA -0.384 62.545 63.100 -0.283 0.000 0.743 942 P CB 0.323 31.911 31.700 -0.187 0.000 1.364 943 A N -0.533 122.251 122.820 -0.060 0.000 2.279 943 A HA 0.269 4.587 4.320 -0.004 0.000 0.303 943 A C 0.976 178.524 177.584 -0.060 0.000 1.108 943 A CA -0.068 51.943 52.037 -0.043 0.000 0.830 943 A CB -0.245 18.746 19.000 -0.015 0.000 1.106 943 A HN 0.540 nan 8.150 nan 0.000 0.493 944 D N 0.062 120.420 120.400 -0.070 0.000 2.087 944 D HA -0.023 4.614 4.640 -0.004 0.000 0.201 944 D C 0.525 176.764 176.300 -0.102 0.000 0.980 944 D CA 1.546 55.500 54.000 -0.076 0.000 0.849 944 D CB -0.307 40.451 40.800 -0.069 0.000 1.001 944 D HN 0.543 nan 8.370 nan 0.000 0.452 945 L N 0.017 121.142 121.223 -0.163 0.000 3.677 945 L HA -0.212 4.125 4.340 -0.004 0.000 0.464 945 L C 0.532 177.297 176.870 -0.174 0.000 1.278 945 L CA 0.291 54.983 54.840 -0.246 0.000 0.806 945 L CB -2.069 39.873 42.059 -0.197 0.000 1.610 945 L HN 0.201 nan 8.230 nan 0.000 0.867 946 S N -2.687 112.930 115.700 -0.138 0.000 2.539 946 S HA 0.063 4.531 4.470 -0.004 0.000 0.221 946 S C 1.039 175.602 174.600 -0.061 0.000 0.987 946 S CA 0.114 58.265 58.200 -0.081 0.000 0.929 946 S CB 0.288 63.456 63.200 -0.054 0.000 0.832 946 S HN 0.636 nan 8.310 nan 0.000 0.492 947 D N 0.771 121.118 120.400 -0.088 0.000 2.388 947 D HA 0.063 4.700 4.640 -0.004 0.000 0.221 947 D C 0.325 176.656 176.300 0.052 0.000 1.133 947 D CA -0.283 53.713 54.000 -0.007 0.000 0.831 947 D CB -0.173 40.647 40.800 0.033 0.000 0.962 947 D HN 0.475 nan 8.370 nan 0.000 0.502 948 Q N 0.611 120.400 119.800 -0.020 0.000 2.327 948 Q HA 0.287 4.625 4.340 -0.004 0.000 0.254 948 Q C -0.774 175.309 176.000 0.138 0.000 0.952 948 Q CA -0.475 55.383 55.803 0.090 0.000 0.884 948 Q CB 1.706 30.428 28.738 -0.026 0.000 1.224 948 Q HN -0.035 nan 8.270 nan 0.000 0.422 949 V N 6.048 126.086 119.914 0.208 0.000 2.546 949 V HA 0.272 4.389 4.120 -0.004 0.000 0.284 949 V C -2.007 174.133 176.094 0.076 0.000 1.050 949 V CA -1.574 60.800 62.300 0.122 0.000 0.981 949 V CB 1.229 33.125 31.823 0.123 0.000 0.990 949 V HN 0.850 nan 8.190 nan 0.000 0.474 950 P HA 0.121 nan 4.420 nan 0.000 0.270 950 P C -0.150 177.139 177.300 -0.019 0.000 1.223 950 P CA 0.094 63.196 63.100 0.003 0.000 0.785 950 P CB 0.216 31.906 31.700 -0.016 0.000 0.923 951 D N -0.198 120.187 120.400 -0.024 0.000 2.760 951 D HA -0.110 4.527 4.640 -0.004 0.000 0.244 951 D C -0.601 175.661 176.300 -0.064 0.000 1.123 951 D CA 1.328 55.302 54.000 -0.043 0.000 0.719 951 D CB -1.066 39.699 40.800 -0.059 0.000 1.045 951 D HN 0.586 nan 8.370 nan 0.000 0.426 952 T N -2.104 112.430 114.554 -0.034 0.000 2.812 952 T HA 0.659 5.006 4.350 -0.004 0.000 0.294 952 T C 0.281 174.999 174.700 0.030 0.000 1.159 952 T CA -0.583 61.493 62.100 -0.040 0.000 1.008 952 T CB 2.049 70.884 68.868 -0.056 0.000 1.289 952 T HN 0.159 nan 8.240 nan 0.000 0.514 953 E N 0.330 120.566 120.200 0.059 0.000 2.385 953 E HA 0.598 4.945 4.350 -0.004 0.000 0.254 953 E C -0.417 176.248 176.600 0.108 0.000 1.228 953 E CA -0.555 55.889 56.400 0.073 0.000 0.956 953 E CB 0.505 30.246 29.700 0.068 0.000 1.116 953 E HN 0.951 nan 8.360 nan 0.000 0.507 954 S N -1.028 114.725 115.700 0.089 0.000 2.689 954 S HA 0.157 4.624 4.470 -0.004 0.000 0.151 954 S C -1.003 173.642 174.600 0.075 0.000 1.155 954 S CA -0.854 57.405 58.200 0.098 0.000 1.144 954 S CB -0.216 63.035 63.200 0.085 0.000 1.526 954 S HN 0.630 nan 8.310 nan 0.000 0.419 955 E N 2.468 122.711 120.200 0.072 0.000 2.105 955 E HA 0.336 4.683 4.350 -0.004 0.000 0.285 955 E C -0.252 176.379 176.600 0.051 0.000 1.055 955 E CA -0.205 56.225 56.400 0.050 0.000 0.843 955 E CB 0.530 30.255 29.700 0.041 0.000 1.067 955 E HN 0.559 nan 8.360 nan 0.000 0.398 956 T N 4.409 118.989 114.554 0.043 0.000 2.860 956 T HA 0.216 4.563 4.350 -0.004 0.000 0.299 956 T C 0.096 174.808 174.700 0.020 0.000 1.045 956 T CA -0.316 61.812 62.100 0.048 0.000 1.071 956 T CB 0.701 69.602 68.868 0.055 0.000 0.985 956 T HN 0.394 nan 8.240 nan 0.000 0.537 957 R N 1.738 122.254 120.500 0.026 0.000 2.510 957 R HA 0.405 4.743 4.340 -0.004 0.000 0.294 957 R C -1.151 175.154 176.300 0.007 0.000 1.056 957 R CA -0.461 55.643 56.100 0.007 0.000 0.918 957 R CB 0.999 31.306 30.300 0.012 0.000 1.187 957 R HN 0.620 nan 8.270 nan 0.000 0.437 958 I N 4.395 124.954 120.570 -0.019 0.000 2.499 958 I HA 0.351 4.519 4.170 -0.004 0.000 0.296 958 I C 0.068 176.172 176.117 -0.023 0.000 0.992 958 I CA -0.886 60.404 61.300 -0.017 0.000 1.297 958 I CB 1.644 39.614 38.000 -0.050 0.000 1.410 958 I HN 0.417 nan 8.210 nan 0.000 0.507 959 L N 6.650 127.868 121.223 -0.008 0.000 2.384 959 L HA 0.414 4.751 4.340 -0.004 0.000 0.261 959 L C -0.986 175.882 176.870 -0.004 0.000 1.024 959 L CA -0.360 54.477 54.840 -0.006 0.000 0.899 959 L CB 0.463 42.527 42.059 0.007 0.000 1.243 959 L HN 0.527 nan 8.230 nan 0.000 0.449 960 L N 4.574 125.786 121.223 -0.018 0.000 2.389 960 L HA 0.328 4.665 4.340 -0.004 0.000 0.265 960 L C 0.475 177.354 176.870 0.014 0.000 1.167 960 L CA 0.132 54.967 54.840 -0.009 0.000 1.045 960 L CB 0.649 42.686 42.059 -0.036 0.000 1.351 960 L HN 0.678 nan 8.230 nan 0.000 0.419 961 Q N 1.106 120.922 119.800 0.026 0.000 2.407 961 Q HA 0.472 4.810 4.340 -0.004 0.000 0.214 961 Q C 0.371 176.411 176.000 0.067 0.000 1.043 961 Q CA -0.166 55.665 55.803 0.046 0.000 0.983 961 Q CB 1.346 30.109 28.738 0.041 0.000 1.211 961 Q HN 0.573 nan 8.270 nan 0.000 0.564 962 G N 0.966 109.827 108.800 0.101 0.000 4.142 962 G HA2 0.170 4.128 3.960 -0.004 0.000 0.310 962 G HA3 0.170 4.128 3.960 -0.004 0.000 0.310 962 G C -0.752 174.219 174.900 0.119 0.000 1.384 962 G CA -0.446 44.733 45.100 0.132 0.000 0.838 962 G HN 0.606 nan 8.290 nan 0.000 0.512 963 T N 1.172 115.758 114.554 0.054 0.000 2.759 963 T HA 0.398 4.746 4.350 -0.004 0.000 0.273 963 T C -2.190 172.486 174.700 -0.040 0.000 0.938 963 T CA -1.170 60.944 62.100 0.023 0.000 1.197 963 T CB 1.018 69.892 68.868 0.011 0.000 0.887 963 T HN 0.251 nan 8.240 nan 0.000 0.540 964 P HA 0.385 nan 4.420 nan 0.000 0.298 964 P C 0.254 177.406 177.300 -0.246 0.000 1.365 964 P CA -0.801 62.127 63.100 -0.287 0.000 0.835 964 P CB 1.561 32.920 31.700 -0.568 0.000 0.948 965 V N 1.738 121.519 119.914 -0.221 0.000 3.647 965 V HA 0.164 4.282 4.120 -0.004 0.000 0.279 965 V C 1.375 177.299 176.094 -0.284 0.000 1.314 965 V CA 0.061 62.245 62.300 -0.193 0.000 1.125 965 V CB -0.920 30.838 31.823 -0.109 0.000 0.907 965 V HN 0.629 nan 8.190 nan 0.000 0.434 966 A N 0.362 122.903 122.820 -0.464 0.000 2.577 966 A HA 0.191 4.508 4.320 -0.004 0.000 0.233 966 A C 0.806 178.000 177.584 -0.649 0.000 1.076 966 A CA 0.313 51.971 52.037 -0.633 0.000 0.767 966 A CB -0.245 18.146 19.000 -1.016 0.000 1.017 966 A HN 0.729 nan 8.150 nan 0.000 0.511 967 Q N -0.559 118.945 119.800 -0.494 0.000 2.455 967 Q HA -0.126 4.211 4.340 -0.004 0.000 0.343 967 Q C -0.433 175.438 176.000 -0.214 0.000 1.458 967 Q CA 0.419 56.047 55.803 -0.291 0.000 0.923 967 Q CB -1.311 27.295 28.738 -0.220 0.000 1.149 967 Q HN 0.683 nan 8.270 nan 0.000 0.357 968 M N 1.644 121.135 119.600 -0.181 0.000 3.274 968 M HA -0.059 4.419 4.480 -0.004 0.000 0.283 968 M C -0.297 176.009 176.300 0.009 0.000 1.752 968 M CA 1.658 56.916 55.300 -0.071 0.000 1.639 968 M CB -0.912 31.674 32.600 -0.025 0.000 1.661 968 M HN 0.354 nan 8.290 nan 0.000 0.488 969 T N 2.366 116.939 114.554 0.031 0.000 3.160 969 T HA 0.192 4.539 4.350 -0.004 0.000 0.346 969 T C -0.274 174.492 174.700 0.110 0.000 1.027 969 T CA -0.818 61.355 62.100 0.121 0.000 1.287 969 T CB 0.932 69.795 68.868 -0.008 0.000 0.997 969 T HN 0.319 nan 8.240 nan 0.000 0.518 970 E N 2.321 122.607 120.200 0.143 0.000 2.376 970 E HA 0.106 4.453 4.350 -0.004 0.000 0.266 970 E C 0.131 176.770 176.600 0.065 0.000 1.009 970 E CA -0.337 56.098 56.400 0.058 0.000 0.902 970 E CB 0.465 30.172 29.700 0.013 0.000 0.972 970 E HN 0.452 nan 8.360 nan 0.000 0.439 971 D N 1.261 121.685 120.400 0.039 0.000 2.571 971 D HA 0.029 4.667 4.640 -0.004 0.000 0.231 971 D C 0.299 176.635 176.300 0.059 0.000 1.133 971 D CA 0.403 54.430 54.000 0.045 0.000 0.862 971 D CB 0.449 41.268 40.800 0.033 0.000 1.179 971 D HN 0.457 nan 8.370 nan 0.000 0.474 972 A N 2.294 125.164 122.820 0.083 0.000 2.366 972 A HA 0.234 4.551 4.320 -0.004 0.000 0.250 972 A C 0.204 177.875 177.584 0.145 0.000 1.099 972 A CA -0.572 51.548 52.037 0.139 0.000 0.794 972 A CB 0.371 19.457 19.000 0.143 0.000 1.056 972 A HN 0.391 nan 8.150 nan 0.000 0.499 973 V N 2.218 122.253 119.914 0.203 0.000 2.585 973 V HA 0.018 4.136 4.120 -0.004 0.000 0.296 973 V C 0.414 176.612 176.094 0.173 0.000 1.035 973 V CA -0.199 62.183 62.300 0.136 0.000 1.084 973 V CB 0.295 32.137 31.823 0.031 0.000 0.953 973 V HN 0.836 nan 8.190 nan 0.000 0.483 974 D N 3.375 123.856 120.400 0.134 0.000 2.472 974 D HA 0.086 4.724 4.640 -0.004 0.000 0.237 974 D C 0.917 177.256 176.300 0.066 0.000 1.141 974 D CA 0.622 54.676 54.000 0.091 0.000 0.875 974 D CB 1.473 42.312 40.800 0.065 0.000 1.192 974 D HN 0.669 nan 8.370 nan 0.000 0.450 975 A N 2.678 125.527 122.820 0.048 0.000 2.016 975 A HA -0.136 4.181 4.320 -0.004 0.000 0.217 975 A C 1.818 179.437 177.584 0.059 0.000 1.162 975 A CA 0.870 52.913 52.037 0.011 0.000 0.662 975 A CB -0.173 18.836 19.000 0.015 0.000 0.812 975 A HN 0.680 nan 8.150 nan 0.000 0.450 976 E N -0.339 119.893 120.200 0.054 0.000 2.427 976 E HA -0.109 4.239 4.350 -0.004 0.000 0.196 976 E C 1.581 178.163 176.600 -0.030 0.000 1.028 976 E CA 0.218 56.646 56.400 0.046 0.000 0.864 976 E CB 0.088 29.796 29.700 0.014 0.000 0.813 976 E HN 0.417 nan 8.360 nan 0.000 0.514 977 R N -0.265 120.170 120.500 -0.109 0.000 2.210 977 R HA 0.054 4.392 4.340 -0.004 0.000 0.203 977 R C 1.636 177.802 176.300 -0.223 0.000 1.010 977 R CA 0.333 56.255 56.100 -0.297 0.000 1.008 977 R CB -0.179 29.762 30.300 -0.598 0.000 0.923 977 R HN 0.237 nan 8.270 nan 0.000 0.469 978 L N 1.061 122.165 121.223 -0.199 0.000 2.653 978 L HA 0.211 4.548 4.340 -0.004 0.000 0.232 978 L C 1.631 178.319 176.870 -0.302 0.000 1.169 978 L CA 0.031 54.640 54.840 -0.386 0.000 0.951 978 L CB -0.101 41.683 42.059 -0.459 0.000 1.181 978 L HN -0.014 nan 8.230 nan 0.000 0.460 979 K N 0.308 120.678 120.400 -0.050 0.000 2.209 979 K HA -0.147 4.170 4.320 -0.004 0.000 0.204 979 K C 1.887 178.511 176.600 0.041 0.000 1.048 979 K CA 1.138 57.504 56.287 0.132 0.000 0.940 979 K CB -0.074 32.495 32.500 0.115 0.000 0.729 979 K HN 0.583 nan 8.250 nan 0.000 0.451 980 H N -0.259 118.807 119.070 -0.006 0.000 2.551 980 H HA 0.068 4.622 4.556 -0.004 0.000 0.266 980 H C 1.710 177.023 175.328 -0.025 0.000 0.977 980 H CA 0.244 56.285 56.048 -0.012 0.000 1.163 980 H CB -0.168 29.578 29.762 -0.026 0.000 1.381 980 H HN 0.133 nan 8.280 nan 0.000 0.581 981 L N 0.813 121.798 121.223 -0.396 0.000 2.179 981 L HA 0.009 4.346 4.340 -0.004 0.000 0.208 981 L C 0.951 177.749 176.870 -0.119 0.000 1.096 981 L CA 0.208 54.870 54.840 -0.296 0.000 0.779 981 L CB -0.006 41.770 42.059 -0.472 0.000 0.922 981 L HN 0.151 nan 8.230 nan 0.000 0.443 982 I N 2.263 122.798 120.570 -0.059 0.000 2.593 982 I HA -0.026 4.142 4.170 -0.004 0.000 0.304 982 I C -0.131 176.010 176.117 0.041 0.000 1.176 982 I CA 0.560 61.873 61.300 0.023 0.000 1.533 982 I CB -0.638 37.430 38.000 0.112 0.000 1.492 982 I HN -0.161 nan 8.210 nan 0.000 0.704 983 V N 5.545 125.480 119.914 0.034 0.000 2.394 983 V HA 0.191 4.309 4.120 -0.004 0.000 0.282 983 V C 0.795 176.920 176.094 0.052 0.000 1.031 983 V CA -0.668 61.661 62.300 0.049 0.000 0.881 983 V CB 1.610 33.465 31.823 0.053 0.000 0.982 983 V HN 0.607 nan 8.190 nan 0.000 0.451 984 T N 7.968 122.554 114.554 0.053 0.000 2.750 984 T HA 0.181 4.529 4.350 -0.004 0.000 0.286 984 T C -2.265 172.466 174.700 0.051 0.000 0.911 984 T CA -0.421 61.711 62.100 0.052 0.000 1.130 984 T CB 0.256 69.154 68.868 0.049 0.000 0.873 984 T HN 0.485 nan 8.240 nan 0.000 0.536 985 P HA 0.265 nan 4.420 nan 0.000 0.271 985 P C -0.738 176.590 177.300 0.047 0.000 1.220 985 P CA -0.289 62.840 63.100 0.049 0.000 0.768 985 P CB 0.507 32.240 31.700 0.056 0.000 0.848 986 S N 1.633 117.354 115.700 0.035 0.000 2.592 986 S HA 0.834 5.302 4.470 -0.004 0.000 0.275 986 S C -0.369 174.240 174.600 0.015 0.000 1.169 986 S CA -0.087 58.136 58.200 0.039 0.000 0.958 986 S CB 1.590 64.819 63.200 0.049 0.000 1.095 986 S HN 0.750 nan 8.310 nan 0.000 0.471 987 G N 0.901 109.708 108.800 0.011 0.000 2.512 987 G HA2 0.349 4.306 3.960 -0.004 0.000 0.181 987 G HA3 0.349 4.306 3.960 -0.004 0.000 0.181 987 G C -0.028 174.834 174.900 -0.064 0.000 1.173 987 G CA 0.305 45.387 45.100 -0.029 0.000 0.988 987 G HN 0.991 nan 8.290 nan 0.000 0.485 988 C N -0.662 118.499 119.300 -0.233 0.000 3.855 988 C HA 0.684 5.142 4.460 -0.004 0.000 0.117 988 C C 2.648 177.022 174.990 -1.026 0.000 2.274 988 C CA 1.417 60.146 59.018 -0.482 0.000 1.436 988 C CB 0.144 27.470 27.740 -0.690 0.000 2.216 988 C HN 1.121 nan 8.230 nan 0.000 0.348 989 G N -0.746 107.496 108.800 -0.930 0.000 2.748 989 G HA2 0.141 4.098 3.960 -0.004 0.000 0.204 989 G HA3 0.141 4.098 3.960 -0.004 0.000 0.204 989 G C 1.213 175.877 174.900 -0.393 0.000 1.095 989 G CA 0.212 44.801 45.100 -0.851 0.000 0.775 989 G HN 0.679 nan 8.290 nan 0.000 0.531 990 E N 0.150 120.169 120.200 -0.300 0.000 2.244 990 E HA 0.043 4.391 4.350 -0.004 0.000 0.196 990 E C 2.353 178.808 176.600 -0.241 0.000 0.939 990 E CA 0.110 56.404 56.400 -0.177 0.000 0.884 990 E CB 0.131 29.775 29.700 -0.094 0.000 0.850 990 E HN 0.295 nan 8.360 nan 0.000 0.481 991 Q N 0.785 120.373 119.800 -0.354 0.000 2.224 991 Q HA -0.138 4.199 4.340 -0.004 0.000 0.203 991 Q C 1.793 177.701 176.000 -0.154 0.000 0.970 991 Q CA 1.031 56.648 55.803 -0.310 0.000 0.865 991 Q CB -0.056 28.511 28.738 -0.285 0.000 0.922 991 Q HN 0.082 nan 8.270 nan 0.000 0.445 992 N N -0.090 118.510 118.700 -0.166 0.000 2.188 992 N HA -0.094 4.644 4.740 -0.004 0.000 0.184 992 N C 1.321 176.819 175.510 -0.021 0.000 1.018 992 N CA 1.086 54.083 53.050 -0.089 0.000 0.858 992 N CB 0.153 38.557 38.487 -0.138 0.000 0.989 992 N HN 0.125 nan 8.380 nan 0.000 0.426 993 M N -0.341 119.247 119.600 -0.020 0.000 2.558 993 M HA 0.106 4.583 4.480 -0.004 0.000 0.255 993 M C 1.530 177.922 176.300 0.154 0.000 1.113 993 M CA 0.437 55.792 55.300 0.092 0.000 1.097 993 M CB -0.332 32.349 32.600 0.135 0.000 1.426 993 M HN 0.224 nan 8.290 nan 0.000 0.488 994 I N -0.510 120.094 120.570 0.057 0.000 2.277 994 I HA -0.111 4.056 4.170 -0.004 0.000 0.243 994 I C 2.470 178.639 176.117 0.086 0.000 1.094 994 I CA 1.174 62.512 61.300 0.062 0.000 1.393 994 I CB -0.622 37.365 38.000 -0.022 0.000 1.078 994 I HN 0.279 nan 8.210 nan 0.000 0.417 995 G N 0.194 109.029 108.800 0.059 0.000 2.421 995 G HA2 -0.225 3.733 3.960 -0.004 0.000 0.217 995 G HA3 -0.225 3.733 3.960 -0.004 0.000 0.217 995 G C 1.717 176.664 174.900 0.079 0.000 1.143 995 G CA 0.217 45.356 45.100 0.065 0.000 0.784 995 G HN 0.236 nan 8.290 nan 0.000 0.541 996 M N 0.693 120.348 119.600 0.093 0.000 2.476 996 M HA 0.007 4.485 4.480 -0.004 0.000 0.262 996 M C 2.387 178.770 176.300 0.138 0.000 1.079 996 M CA 0.972 56.333 55.300 0.101 0.000 1.104 996 M CB -0.107 32.555 32.600 0.102 0.000 1.409 996 M HN 0.173 nan 8.290 nan 0.000 0.467 997 T N 1.748 116.419 114.554 0.195 0.000 2.643 997 T HA -0.054 4.293 4.350 -0.004 0.000 0.264 997 T C -0.929 173.890 174.700 0.198 0.000 1.045 997 T CA 1.583 63.864 62.100 0.301 0.000 1.155 997 T CB -1.339 67.763 68.868 0.391 0.000 0.863 997 T HN 0.384 nan 8.240 nan 0.000 0.420 998 P HA 0.002 nan 4.420 nan 0.000 0.221 998 P C 1.236 178.482 177.300 -0.089 0.000 1.150 998 P CA 1.153 64.238 63.100 -0.025 0.000 0.800 998 P CB -0.248 31.431 31.700 -0.034 0.000 0.787 999 T N -0.085 114.458 114.554 -0.020 0.000 2.809 999 T HA -0.030 4.317 4.350 -0.004 0.000 0.260 999 T C 2.031 176.722 174.700 -0.015 0.000 1.039 999 T CA 0.950 63.036 62.100 -0.023 0.000 1.141 999 T CB -0.917 67.965 68.868 0.023 0.000 0.869 999 T HN -0.123 nan 8.240 nan 0.000 0.437 1000 V N 1.270 121.194 119.914 0.017 0.000 2.343 1000 V HA -0.084 4.034 4.120 -0.004 0.000 0.247 1000 V C 2.341 178.419 176.094 -0.027 0.000 1.051 1000 V CA 1.180 63.490 62.300 0.018 0.000 1.036 1000 V CB -0.481 31.377 31.823 0.057 0.000 0.654 1000 V HN 0.342 nan 8.190 nan 0.000 0.451 1001 I N 0.414 120.926 120.570 -0.096 0.000 2.546 1001 I HA -0.038 4.130 4.170 -0.004 0.000 0.255 1001 I C 2.315 178.361 176.117 -0.118 0.000 1.163 1001 I CA 1.348 62.543 61.300 -0.175 0.000 1.457 1001 I CB -0.443 37.389 38.000 -0.280 0.000 1.092 1001 I HN 0.164 nan 8.210 nan 0.000 0.434 1002 A N -0.593 122.101 122.820 -0.209 0.000 1.969 1002 A HA -0.099 4.218 4.320 -0.004 0.000 0.218 1002 A C 2.301 179.785 177.584 -0.167 0.000 1.169 1002 A CA 1.858 53.712 52.037 -0.305 0.000 0.635 1002 A CB -0.885 17.887 19.000 -0.380 0.000 0.810 1002 A HN 0.280 nan 8.150 nan 0.000 0.445 1003 V N -0.977 118.930 119.914 -0.013 0.000 2.346 1003 V HA -0.203 3.914 4.120 -0.004 0.000 0.244 1003 V C 2.395 178.578 176.094 0.149 0.000 1.037 1003 V CA 2.164 64.557 62.300 0.155 0.000 1.029 1003 V CB -1.083 30.860 31.823 0.201 0.000 0.663 1003 V HN 0.804 nan 8.190 nan 0.000 0.454 1004 H N -0.916 118.167 119.070 0.022 0.000 2.426 1004 H HA -0.269 4.285 4.556 -0.004 0.000 0.298 1004 H C 2.056 177.402 175.328 0.031 0.000 1.107 1004 H CA 2.439 58.493 56.048 0.010 0.000 1.298 1004 H CB -0.215 29.515 29.762 -0.053 0.000 1.377 1004 H HN 0.519 nan 8.280 nan 0.000 0.519 1005 Y N 0.184 120.453 120.300 -0.052 0.000 2.130 1005 Y HA -0.091 4.457 4.550 -0.004 0.000 0.287 1005 Y C 2.187 177.980 175.900 -0.177 0.000 1.124 1005 Y CA 1.618 59.667 58.100 -0.085 0.000 1.118 1005 Y CB -0.306 38.153 38.460 -0.001 0.000 0.994 1005 Y HN 0.174 nan 8.280 nan 0.000 0.497 1006 L N -0.010 121.107 121.223 -0.177 0.000 2.191 1006 L HA -0.196 4.142 4.340 -0.004 0.000 0.212 1006 L C 1.727 178.441 176.870 -0.261 0.000 1.103 1006 L CA 1.247 55.782 54.840 -0.508 0.000 0.769 1006 L CB -0.509 40.792 42.059 -1.262 0.000 0.908 1006 L HN 0.216 nan 8.230 nan 0.000 0.438 1007 D N -0.247 120.182 120.400 0.048 0.000 2.097 1007 D HA -0.159 4.478 4.640 -0.004 0.000 0.197 1007 D C 2.274 178.562 176.300 -0.022 0.000 0.984 1007 D CA 0.984 55.084 54.000 0.166 0.000 0.826 1007 D CB 0.066 40.925 40.800 0.099 0.000 0.973 1007 D HN 0.170 nan 8.370 nan 0.000 0.460 1008 E N -0.328 119.767 120.200 -0.176 0.000 2.122 1008 E HA -0.045 4.303 4.350 -0.004 0.000 0.190 1008 E C 2.077 178.553 176.600 -0.206 0.000 0.977 1008 E CA 1.075 57.356 56.400 -0.198 0.000 0.820 1008 E CB -0.217 29.325 29.700 -0.264 0.000 0.770 1008 E HN 0.416 nan 8.360 nan 0.000 0.462 1009 T N -0.921 113.444 114.554 -0.315 0.000 3.118 1009 T HA -0.020 4.327 4.350 -0.004 0.000 0.260 1009 T C 0.483 175.085 174.700 -0.163 0.000 1.139 1009 T CA 0.197 62.118 62.100 -0.297 0.000 1.085 1009 T CB 0.061 68.628 68.868 -0.502 0.000 0.934 1009 T HN -0.039 nan 8.240 nan 0.000 0.518 1010 E N 0.832 120.970 120.200 -0.103 0.000 2.389 1010 E HA -0.200 4.147 4.350 -0.004 0.000 0.243 1010 E C -0.017 176.578 176.600 -0.009 0.000 1.154 1010 E CA 0.543 56.944 56.400 0.003 0.000 0.723 1010 E CB -2.003 27.704 29.700 0.012 0.000 1.261 1010 E HN 0.789 nan 8.360 nan 0.000 0.390 1011 Q N -1.627 118.102 119.800 -0.119 0.000 2.201 1011 Q HA 0.074 4.412 4.340 -0.004 0.000 0.217 1011 Q C 1.139 177.078 176.000 -0.101 0.000 0.860 1011 Q CA -0.220 55.517 55.803 -0.109 0.000 0.984 1011 Q CB 0.021 28.669 28.738 -0.150 0.000 1.095 1011 Q HN 0.410 nan 8.270 nan 0.000 0.477 1012 W N 1.037 122.361 121.300 0.040 0.000 2.678 1012 W HA -0.039 4.619 4.660 -0.003 0.000 0.256 1012 W C 1.984 178.561 176.519 0.097 0.000 1.280 1012 W CA 0.323 57.718 57.345 0.084 0.000 1.345 1012 W CB 0.445 29.934 29.460 0.048 0.000 1.118 1012 W HN 0.341 nan 8.180 nan 0.000 0.629 1013 E N 0.895 121.248 120.200 0.254 0.000 2.031 1013 E HA -0.227 4.121 4.350 -0.004 0.000 0.193 1013 E C 2.027 178.715 176.600 0.146 0.000 0.994 1013 E CA 1.206 57.707 56.400 0.168 0.000 0.800 1013 E CB 0.105 29.870 29.700 0.108 0.000 0.752 1013 E HN 0.063 nan 8.360 nan 0.000 0.447 1014 K N 0.122 120.600 120.400 0.131 0.000 2.044 1014 K HA -0.100 4.218 4.320 -0.004 0.000 0.204 1014 K C 2.069 178.746 176.600 0.129 0.000 1.049 1014 K CA 0.704 57.053 56.287 0.104 0.000 0.945 1014 K CB -0.738 31.811 32.500 0.082 0.000 0.724 1014 K HN 0.180 nan 8.250 nan 0.000 0.440 1015 F N 1.267 121.226 119.950 0.015 0.000 2.161 1015 F HA -0.060 4.465 4.527 -0.004 0.000 0.300 1015 F C 0.623 176.467 175.800 0.073 0.000 1.089 1015 F CA 1.647 59.649 58.000 0.004 0.000 1.282 1015 F CB 0.196 39.143 39.000 -0.089 0.000 1.010 1015 F HN 0.189 nan 8.300 nan 0.000 0.485 1016 G N 0.173 109.076 108.800 0.173 0.000 2.693 1016 G HA2 0.018 3.975 3.960 -0.004 0.000 0.290 1016 G HA3 0.018 3.975 3.960 -0.004 0.000 0.290 1016 G C -0.299 174.789 174.900 0.314 0.000 1.378 1016 G CA -0.219 44.937 45.100 0.093 0.000 1.120 1016 G HN 0.348 nan 8.290 nan 0.000 0.609 1017 L N 1.541 122.885 121.223 0.202 0.000 2.072 1017 L HA 0.295 4.633 4.340 -0.004 0.000 0.205 1017 L C 2.364 179.243 176.870 0.015 0.000 1.079 1017 L CA 2.445 57.375 54.840 0.150 0.000 0.752 1017 L CB -0.004 42.103 42.059 0.081 0.000 0.906 1017 L HN 0.745 nan 8.230 nan 0.000 0.436 1018 E N -0.984 119.225 120.200 0.014 0.000 2.511 1018 E HA -0.138 4.210 4.350 -0.004 0.000 0.196 1018 E C 1.703 178.299 176.600 -0.006 0.000 1.066 1018 E CA 0.181 56.567 56.400 -0.023 0.000 0.871 1018 E CB 0.179 29.868 29.700 -0.017 0.000 0.863 1018 E HN 0.433 nan 8.360 nan 0.000 0.520 1019 K N -0.066 120.369 120.400 0.058 0.000 2.288 1019 K HA -0.069 4.249 4.320 -0.004 0.000 0.201 1019 K C 2.056 178.735 176.600 0.132 0.000 1.048 1019 K CA 0.383 56.741 56.287 0.119 0.000 0.956 1019 K CB 0.055 32.666 32.500 0.185 0.000 0.746 1019 K HN -0.002 nan 8.250 nan 0.000 0.461 1020 R N 1.239 121.709 120.500 -0.050 0.000 2.092 1020 R HA -0.171 4.167 4.340 -0.004 0.000 0.231 1020 R C 2.195 178.384 176.300 -0.185 0.000 1.119 1020 R CA 1.410 57.307 56.100 -0.338 0.000 0.970 1020 R CB 0.069 29.700 30.300 -1.116 0.000 0.864 1020 R HN 0.023 nan 8.270 nan 0.000 0.440 1021 Q N -0.455 119.257 119.800 -0.146 0.000 2.224 1021 Q HA -0.033 4.305 4.340 -0.004 0.000 0.203 1021 Q C 1.588 177.563 176.000 -0.041 0.000 0.970 1021 Q CA 1.832 57.578 55.803 -0.095 0.000 0.865 1021 Q CB -0.201 28.487 28.738 -0.083 0.000 0.922 1021 Q HN 0.478 nan 8.270 nan 0.000 0.445 1022 G N -1.215 107.579 108.800 -0.010 0.000 2.662 1022 G HA2 0.116 4.074 3.960 -0.004 0.000 0.212 1022 G HA3 0.116 4.074 3.960 -0.004 0.000 0.212 1022 G C 1.230 176.157 174.900 0.045 0.000 1.141 1022 G CA 0.444 45.555 45.100 0.018 0.000 0.797 1022 G HN 0.410 nan 8.290 nan 0.000 0.531 1023 A N 0.428 123.290 122.820 0.070 0.000 2.030 1023 A HA 0.334 4.652 4.320 -0.004 0.000 0.215 1023 A C 2.147 179.770 177.584 0.065 0.000 1.164 1023 A CA 0.357 52.457 52.037 0.106 0.000 0.697 1023 A CB -0.176 18.954 19.000 0.217 0.000 0.827 1023 A HN 0.247 nan 8.150 nan 0.000 0.457 1024 L N 0.260 121.495 121.223 0.021 0.000 2.131 1024 L HA -0.122 4.216 4.340 -0.004 0.000 0.210 1024 L C 1.983 178.850 176.870 -0.005 0.000 1.092 1024 L CA 1.734 56.569 54.840 -0.008 0.000 0.759 1024 L CB -1.117 40.911 42.059 -0.051 0.000 0.903 1024 L HN 0.543 nan 8.230 nan 0.000 0.435 1025 E N -0.655 119.549 120.200 0.006 0.000 2.427 1025 E HA -0.099 4.249 4.350 -0.004 0.000 0.196 1025 E C 2.242 178.862 176.600 0.032 0.000 1.028 1025 E CA 0.179 56.588 56.400 0.015 0.000 0.864 1025 E CB 0.172 29.879 29.700 0.013 0.000 0.813 1025 E HN 0.458 nan 8.360 nan 0.000 0.514 1026 L N 0.366 121.613 121.223 0.039 0.000 2.179 1026 L HA -0.057 4.280 4.340 -0.004 0.000 0.208 1026 L C 2.173 179.072 176.870 0.049 0.000 1.096 1026 L CA 0.677 55.545 54.840 0.048 0.000 0.779 1026 L CB -0.092 42.000 42.059 0.054 0.000 0.922 1026 L HN 0.168 nan 8.230 nan 0.000 0.443 1027 I N -0.329 120.262 120.570 0.035 0.000 2.406 1027 I HA -0.238 3.930 4.170 -0.004 0.000 0.249 1027 I C 2.556 178.692 176.117 0.032 0.000 1.122 1027 I CA 1.053 62.366 61.300 0.021 0.000 1.431 1027 I CB -0.208 37.783 38.000 -0.013 0.000 1.087 1027 I HN 0.186 nan 8.210 nan 0.000 0.424 1028 K N 1.525 121.942 120.400 0.027 0.000 2.148 1028 K HA -0.206 4.112 4.320 -0.004 0.000 0.204 1028 K C 2.188 178.866 176.600 0.130 0.000 1.050 1028 K CA 1.247 57.579 56.287 0.076 0.000 0.942 1028 K CB 0.086 32.606 32.500 0.033 0.000 0.724 1028 K HN 0.109 nan 8.250 nan 0.000 0.446 1029 K N -0.458 119.994 120.400 0.087 0.000 2.103 1029 K HA -0.061 4.257 4.320 -0.004 0.000 0.204 1029 K C 1.923 178.579 176.600 0.094 0.000 1.052 1029 K CA 1.337 57.673 56.287 0.083 0.000 0.945 1029 K CB -0.116 32.422 32.500 0.064 0.000 0.722 1029 K HN 0.249 nan 8.250 nan 0.000 0.443 1030 G N -0.121 108.737 108.800 0.096 0.000 2.421 1030 G HA2 -0.271 3.687 3.960 -0.004 0.000 0.217 1030 G HA3 -0.271 3.687 3.960 -0.004 0.000 0.217 1030 G C 1.345 176.326 174.900 0.135 0.000 1.143 1030 G CA 0.708 45.870 45.100 0.102 0.000 0.784 1030 G HN 0.452 nan 8.290 nan 0.000 0.541 1031 Y N 1.770 122.064 120.300 -0.009 0.000 2.184 1031 Y HA -0.047 4.501 4.550 -0.004 0.000 0.290 1031 Y C 2.883 178.825 175.900 0.070 0.000 1.129 1031 Y CA 2.120 60.195 58.100 -0.041 0.000 1.144 1031 Y CB -0.352 37.971 38.460 -0.228 0.000 0.995 1031 Y HN 0.138 nan 8.280 nan 0.000 0.513 1032 T N 0.706 115.227 114.554 -0.055 0.000 2.867 1032 T HA -0.177 4.171 4.350 -0.004 0.000 0.268 1032 T C 1.661 176.338 174.700 -0.039 0.000 1.057 1032 T CA 1.733 63.760 62.100 -0.121 0.000 1.136 1032 T CB -0.194 68.697 68.868 0.040 0.000 0.874 1032 T HN 0.476 nan 8.240 nan 0.000 0.466 1033 Q N 0.342 120.173 119.800 0.053 0.000 2.172 1033 Q HA -0.090 4.247 4.340 -0.004 0.000 0.200 1033 Q C 2.445 178.595 176.000 0.251 0.000 0.964 1033 Q CA 0.973 56.860 55.803 0.140 0.000 0.855 1033 Q CB -0.119 28.716 28.738 0.162 0.000 0.918 1033 Q HN 0.360 nan 8.270 nan 0.000 0.444 1034 Q N 0.895 120.811 119.800 0.192 0.000 2.167 1034 Q HA -0.070 4.268 4.340 -0.004 0.000 0.202 1034 Q C 1.625 177.839 176.000 0.356 0.000 0.970 1034 Q CA 1.159 57.124 55.803 0.270 0.000 0.855 1034 Q CB -0.023 28.844 28.738 0.216 0.000 0.911 1034 Q HN 0.368 nan 8.270 nan 0.000 0.438 1035 L N -0.260 121.056 121.223 0.154 0.000 2.465 1035 L HA 0.025 4.363 4.340 -0.004 0.000 0.224 1035 L C 2.019 178.940 176.870 0.086 0.000 1.145 1035 L CA 0.567 55.489 54.840 0.136 0.000 0.834 1035 L CB -0.502 41.506 42.059 -0.085 0.000 0.944 1035 L HN 0.255 nan 8.230 nan 0.000 0.451 1036 A N -0.409 122.451 122.820 0.068 0.000 2.119 1036 A HA -0.074 4.243 4.320 -0.004 0.000 0.217 1036 A C 1.418 178.831 177.584 -0.286 0.000 1.153 1036 A CA 0.965 52.927 52.037 -0.125 0.000 0.692 1036 A CB -0.442 18.434 19.000 -0.207 0.000 0.799 1036 A HN 0.406 nan 8.150 nan 0.000 0.458 1037 F N -0.490 119.504 119.950 0.074 0.000 2.684 1037 F HA 0.281 4.805 4.527 -0.004 0.000 0.298 1037 F C 0.901 176.647 175.800 -0.090 0.000 1.120 1037 F CA -0.368 57.667 58.000 0.058 0.000 1.332 1037 F CB 0.266 39.343 39.000 0.129 0.000 0.986 1037 F HN 0.008 nan 8.300 nan 0.000 0.524 1038 R N 2.141 122.587 120.500 -0.089 0.000 2.220 1038 R HA 0.194 4.532 4.340 -0.004 0.000 0.340 1038 R C -0.041 176.030 176.300 -0.381 0.000 1.076 1038 R CA -0.153 55.637 56.100 -0.518 0.000 0.920 1038 R CB 0.397 30.531 30.300 -0.276 0.000 1.062 1038 R HN 0.341 nan 8.270 nan 0.000 0.469 1039 Q N 4.526 124.046 119.800 -0.467 0.000 2.417 1039 Q HA 0.087 4.425 4.340 -0.004 0.000 0.241 1039 Q C -1.569 174.288 176.000 -0.239 0.000 1.008 1039 Q CA -1.728 53.903 55.803 -0.286 0.000 0.901 1039 Q CB 0.821 29.393 28.738 -0.277 0.000 1.259 1039 Q HN 0.476 nan 8.270 nan 0.000 0.489 1040 P HA -0.208 nan 4.420 nan 0.000 0.217 1040 P C 0.714 177.969 177.300 -0.075 0.000 1.148 1040 P CA 1.524 64.572 63.100 -0.087 0.000 0.834 1040 P CB 0.126 31.798 31.700 -0.047 0.000 0.783 1041 S N -2.744 112.903 115.700 -0.087 0.000 2.710 1041 S HA 0.164 4.631 4.470 -0.004 0.000 0.224 1041 S C 0.387 174.925 174.600 -0.103 0.000 0.948 1041 S CA -0.122 58.071 58.200 -0.012 0.000 0.949 1041 S CB -1.044 62.224 63.200 0.114 0.000 0.778 1041 S HN -0.014 nan 8.310 nan 0.000 0.498 1042 S N 0.517 116.082 115.700 -0.224 0.000 3.667 1042 S HA 0.038 4.506 4.470 -0.004 0.000 0.405 1042 S C 0.078 174.346 174.600 -0.554 0.000 0.913 1042 S CA 0.456 58.483 58.200 -0.288 0.000 1.288 1042 S CB -1.897 61.269 63.200 -0.057 0.000 0.905 1042 S HN 1.445 nan 8.310 nan 0.000 0.550 1043 A N 0.871 123.170 122.820 -0.869 0.000 2.593 1043 A HA 0.942 5.260 4.320 -0.004 0.000 0.290 1043 A C -1.096 175.919 177.584 -0.948 0.000 1.126 1043 A CA -0.736 50.647 52.037 -1.089 0.000 0.695 1043 A CB 1.167 19.091 19.000 -1.792 0.000 1.290 1043 A HN 0.351 nan 8.150 nan 0.000 0.414 1044 F N -0.648 119.059 119.950 -0.406 0.000 2.588 1044 F HA 0.855 5.380 4.527 -0.004 0.000 0.314 1044 F C 0.548 176.279 175.800 -0.116 0.000 1.069 1044 F CA 0.372 58.258 58.000 -0.190 0.000 0.931 1044 F CB 2.610 41.513 39.000 -0.162 0.000 1.260 1044 F HN 1.057 nan 8.300 nan 0.000 0.465 1045 A N 0.455 123.363 122.820 0.147 0.000 2.493 1045 A HA 0.750 5.068 4.320 -0.004 0.000 0.300 1045 A C 0.171 177.783 177.584 0.046 0.000 1.152 1045 A CA -0.113 51.983 52.037 0.098 0.000 0.643 1045 A CB 0.135 19.188 19.000 0.089 0.000 1.316 1045 A HN 0.994 nan 8.150 nan 0.000 0.469 1046 A N -0.457 122.371 122.820 0.012 0.000 1.835 1046 A HA 0.385 4.703 4.320 -0.004 0.000 0.215 1046 A C 0.537 177.958 177.584 -0.271 0.000 1.199 1046 A CA 1.729 53.672 52.037 -0.156 0.000 0.615 1046 A CB -0.592 18.361 19.000 -0.079 0.000 0.838 1046 A HN 0.823 nan 8.150 nan 0.000 0.444 1047 F N -2.716 117.335 119.950 0.169 0.000 2.594 1047 F HA 0.417 4.942 4.527 -0.004 0.000 0.335 1047 F C 1.377 177.307 175.800 0.216 0.000 1.058 1047 F CA -0.269 57.892 58.000 0.268 0.000 0.981 1047 F CB 1.621 40.728 39.000 0.179 0.000 1.289 1047 F HN 0.014 nan 8.300 nan 0.000 0.490 1048 V N -1.050 119.113 119.914 0.416 0.000 2.626 1048 V HA -0.151 3.967 4.120 -0.004 0.000 0.252 1048 V C 1.669 177.843 176.094 0.133 0.000 1.067 1048 V CA 1.585 63.994 62.300 0.182 0.000 1.081 1048 V CB -0.895 30.968 31.823 0.066 0.000 0.686 1048 V HN 0.777 nan 8.190 nan 0.000 0.468 1049 K N 0.463 120.958 120.400 0.158 0.000 2.148 1049 K HA -0.019 4.299 4.320 -0.004 0.000 0.204 1049 K C 1.513 178.177 176.600 0.106 0.000 1.050 1049 K CA 0.549 56.891 56.287 0.092 0.000 0.942 1049 K CB -0.085 32.439 32.500 0.040 0.000 0.724 1049 K HN 0.481 nan 8.250 nan 0.000 0.446 1050 R N 1.031 121.628 120.500 0.162 0.000 2.582 1050 R HA 0.212 4.550 4.340 -0.004 0.000 0.271 1050 R C -0.602 175.761 176.300 0.105 0.000 1.078 1050 R CA -0.204 55.981 56.100 0.140 0.000 1.127 1050 R CB 0.689 31.096 30.300 0.178 0.000 1.038 1050 R HN 0.039 nan 8.270 nan 0.000 0.500 1051 A N 4.755 127.634 122.820 0.098 0.000 2.425 1051 A HA 0.302 4.619 4.320 -0.004 0.000 0.242 1051 A C -2.075 175.576 177.584 0.112 0.000 1.077 1051 A CA -1.240 50.858 52.037 0.101 0.000 0.781 1051 A CB -0.066 18.996 19.000 0.103 0.000 1.020 1051 A HN 0.590 nan 8.150 nan 0.000 0.494 1052 P HA 0.148 nan 4.420 nan 0.000 0.275 1052 P C -0.275 177.152 177.300 0.212 0.000 1.227 1052 P CA -0.015 63.143 63.100 0.097 0.000 0.781 1052 P CB 1.136 32.849 31.700 0.022 0.000 0.906 1053 S N 1.257 117.063 115.700 0.176 0.000 2.554 1053 S HA 0.264 4.732 4.470 -0.004 0.000 0.278 1053 S C 1.270 176.084 174.600 0.357 0.000 1.242 1053 S CA -0.317 58.029 58.200 0.243 0.000 1.051 1053 S CB 0.198 63.520 63.200 0.204 0.000 0.986 1053 S HN 0.410 nan 8.310 nan 0.000 0.502 1054 T N 3.645 118.434 114.554 0.391 0.000 2.851 1054 T HA -0.044 4.303 4.350 -0.004 0.000 0.262 1054 T C 1.219 176.151 174.700 0.385 0.000 1.043 1054 T CA 0.915 63.283 62.100 0.447 0.000 1.140 1054 T CB -0.384 68.682 68.868 0.329 0.000 0.872 1054 T HN 0.852 nan 8.240 nan 0.000 0.446 1055 W N 1.469 122.854 121.300 0.142 0.000 2.409 1055 W HA 0.065 4.723 4.660 -0.003 0.000 0.299 1055 W C 1.833 178.416 176.519 0.105 0.000 1.203 1055 W CA 0.273 57.662 57.345 0.073 0.000 1.298 1055 W CB -0.392 29.018 29.460 -0.083 0.000 1.127 1055 W HN 0.104 nan 8.180 nan 0.000 0.528 1056 L N 0.638 122.070 121.223 0.349 0.000 2.083 1056 L HA -0.144 4.194 4.340 -0.004 0.000 0.209 1056 L C 2.221 179.080 176.870 -0.018 0.000 1.083 1056 L CA 2.582 57.529 54.840 0.178 0.000 0.752 1056 L CB -1.166 41.038 42.059 0.242 0.000 0.899 1056 L HN -0.085 nan 8.230 nan 0.000 0.433 1057 T N -0.562 114.029 114.554 0.062 0.000 2.867 1057 T HA -0.054 4.293 4.350 -0.004 0.000 0.268 1057 T C 1.868 176.538 174.700 -0.050 0.000 1.057 1057 T CA 1.031 63.159 62.100 0.046 0.000 1.136 1057 T CB -0.364 68.594 68.868 0.151 0.000 0.874 1057 T HN 0.486 nan 8.240 nan 0.000 0.466 1058 A N 0.424 123.210 122.820 -0.057 0.000 1.898 1058 A HA 0.018 4.335 4.320 -0.004 0.000 0.214 1058 A C 2.070 179.520 177.584 -0.224 0.000 1.183 1058 A CA 0.905 52.870 52.037 -0.120 0.000 0.622 1058 A CB -0.858 18.101 19.000 -0.067 0.000 0.824 1058 A HN 0.498 nan 8.150 nan 0.000 0.444 1059 Y N 0.711 120.703 120.300 -0.514 0.000 2.293 1059 Y HA -0.124 4.424 4.550 -0.003 0.000 0.291 1059 Y C 2.269 177.907 175.900 -0.437 0.000 1.137 1059 Y CA 1.479 59.242 58.100 -0.563 0.000 1.202 1059 Y CB -0.237 37.662 38.460 -0.935 0.000 0.990 1059 Y HN 0.069 nan 8.280 nan 0.000 0.537 1060 V N -1.144 118.477 119.914 -0.490 0.000 2.490 1060 V HA -0.273 3.845 4.120 -0.004 0.000 0.250 1060 V C 2.268 177.964 176.094 -0.663 0.000 1.061 1060 V CA 1.639 63.505 62.300 -0.723 0.000 1.064 1060 V CB -0.768 30.420 31.823 -1.058 0.000 0.670 1060 V HN 0.288 nan 8.190 nan 0.000 0.461 1061 V N -0.247 119.411 119.914 -0.427 0.000 2.548 1061 V HA -0.206 3.912 4.120 -0.004 0.000 0.249 1061 V C 2.370 178.360 176.094 -0.174 0.000 1.055 1061 V CA 1.939 64.095 62.300 -0.240 0.000 1.065 1061 V CB -0.587 31.146 31.823 -0.150 0.000 0.681 1061 V HN 0.528 nan 8.190 nan 0.000 0.462 1062 K N 0.063 120.290 120.400 -0.288 0.000 2.062 1062 K HA -0.099 4.219 4.320 -0.004 0.000 0.205 1062 K C 2.020 178.520 176.600 -0.168 0.000 1.051 1062 K CA 1.269 57.394 56.287 -0.269 0.000 0.941 1062 K CB 0.002 32.226 32.500 -0.460 0.000 0.719 1062 K HN 0.350 nan 8.250 nan 0.000 0.440 1063 V N 0.901 120.628 119.914 -0.313 0.000 2.548 1063 V HA -0.158 3.960 4.120 -0.004 0.000 0.249 1063 V C 1.895 178.104 176.094 0.191 0.000 1.055 1063 V CA 1.277 63.558 62.300 -0.032 0.000 1.065 1063 V CB -0.458 31.251 31.823 -0.190 0.000 0.681 1063 V HN 0.199 nan 8.190 nan 0.000 0.462 1064 F N 0.495 120.363 119.950 -0.137 0.000 2.293 1064 F HA -0.002 4.522 4.527 -0.004 0.000 0.297 1064 F C 2.601 178.368 175.800 -0.054 0.000 1.089 1064 F CA 0.978 58.934 58.000 -0.072 0.000 1.377 1064 F CB -0.899 38.070 39.000 -0.052 0.000 1.051 1064 F HN 0.046 nan 8.300 nan 0.000 0.511 1065 S N 0.283 116.060 115.700 0.129 0.000 2.383 1065 S HA -0.130 4.338 4.470 -0.004 0.000 0.227 1065 S C 2.130 176.752 174.600 0.036 0.000 1.026 1065 S CA 0.779 59.016 58.200 0.060 0.000 0.981 1065 S CB -0.519 62.698 63.200 0.028 0.000 0.818 1065 S HN 0.372 nan 8.310 nan 0.000 0.472 1066 L N 0.769 122.014 121.223 0.037 0.000 2.291 1066 L HA 0.146 4.484 4.340 -0.004 0.000 0.214 1066 L C 1.621 178.483 176.870 -0.013 0.000 1.120 1066 L CA 0.827 55.650 54.840 -0.028 0.000 0.799 1066 L CB -0.227 41.788 42.059 -0.074 0.000 0.925 1066 L HN 0.294 nan 8.230 nan 0.000 0.446 1067 A N -1.182 121.631 122.820 -0.012 0.000 2.507 1067 A HA 0.233 4.550 4.320 -0.004 0.000 0.270 1067 A C 1.669 179.189 177.584 -0.106 0.000 1.318 1067 A CA 0.436 52.436 52.037 -0.063 0.000 0.924 1067 A CB -0.494 18.433 19.000 -0.120 0.000 1.061 1067 A HN 0.310 nan 8.150 nan 0.000 0.516 1068 V N -2.141 117.740 119.914 -0.055 0.000 2.548 1068 V HA -0.181 3.937 4.120 -0.004 0.000 0.249 1068 V C 1.585 177.645 176.094 -0.055 0.000 1.055 1068 V CA 2.110 64.374 62.300 -0.061 0.000 1.065 1068 V CB -0.948 30.866 31.823 -0.015 0.000 0.681 1068 V HN 0.600 nan 8.190 nan 0.000 0.462 1069 N N 0.448 119.135 118.700 -0.022 0.000 2.354 1069 N HA 0.081 4.819 4.740 -0.004 0.000 0.179 1069 N C 1.788 177.277 175.510 -0.034 0.000 1.021 1069 N CA 1.550 54.591 53.050 -0.014 0.000 0.887 1069 N CB 0.025 38.525 38.487 0.022 0.000 0.974 1069 N HN 0.479 nan 8.380 nan 0.000 0.437 1070 L N 0.638 121.834 121.223 -0.045 0.000 2.145 1070 L HA 0.226 4.564 4.340 -0.004 0.000 0.201 1070 L C 1.145 177.955 176.870 -0.099 0.000 1.075 1070 L CA 0.538 55.345 54.840 -0.056 0.000 0.773 1070 L CB -0.051 41.989 42.059 -0.031 0.000 0.936 1070 L HN 0.095 nan 8.230 nan 0.000 0.451 1071 I N -3.623 116.855 120.570 -0.154 0.000 3.002 1071 I HA 0.665 4.832 4.170 -0.004 0.000 0.310 1071 I C -0.250 175.711 176.117 -0.261 0.000 1.087 1071 I CA -1.234 59.941 61.300 -0.209 0.000 1.017 1071 I CB 1.849 39.686 38.000 -0.271 0.000 1.226 1071 I HN -0.217 nan 8.210 nan 0.000 0.443 1072 A N 4.912 127.579 122.820 -0.255 0.000 2.475 1072 A HA 0.484 4.802 4.320 -0.004 0.000 0.293 1072 A C -0.056 177.297 177.584 -0.385 0.000 1.252 1072 A CA -0.176 51.726 52.037 -0.225 0.000 0.920 1072 A CB -0.719 18.207 19.000 -0.124 0.000 1.125 1072 A HN 0.486 nan 8.150 nan 0.000 0.528 1073 I N 1.615 121.987 120.570 -0.330 0.000 2.577 1073 I HA 0.217 4.385 4.170 -0.004 0.000 0.300 1073 I C 0.263 176.371 176.117 -0.015 0.000 0.990 1073 I CA -0.551 60.566 61.300 -0.303 0.000 1.283 1073 I CB 1.295 39.180 38.000 -0.191 0.000 1.411 1073 I HN 0.565 nan 8.210 nan 0.000 0.515 1074 D N 1.944 122.447 120.400 0.172 0.000 2.256 1074 D HA 0.218 4.856 4.640 -0.004 0.000 0.250 1074 D C 0.972 177.361 176.300 0.149 0.000 1.093 1074 D CA 0.078 54.182 54.000 0.174 0.000 0.882 1074 D CB 1.270 42.209 40.800 0.233 0.000 1.185 1074 D HN 0.399 nan 8.370 nan 0.000 0.437 1075 S N 1.883 117.643 115.700 0.101 0.000 2.382 1075 S HA -0.169 4.299 4.470 -0.004 0.000 0.228 1075 S C 1.713 176.372 174.600 0.099 0.000 1.027 1075 S CA 0.782 59.034 58.200 0.087 0.000 0.991 1075 S CB -0.079 63.158 63.200 0.061 0.000 0.823 1075 S HN 0.586 nan 8.310 nan 0.000 0.469 1076 Q N 0.494 120.354 119.800 0.101 0.000 2.170 1076 Q HA -0.050 4.288 4.340 -0.004 0.000 0.203 1076 Q C 2.311 178.382 176.000 0.118 0.000 0.976 1076 Q CA 1.025 56.885 55.803 0.094 0.000 0.858 1076 Q CB -0.403 28.383 28.738 0.080 0.000 0.907 1076 Q HN 0.448 nan 8.270 nan 0.000 0.433 1077 V N 0.779 120.794 119.914 0.169 0.000 2.273 1077 V HA -0.208 3.910 4.120 -0.004 0.000 0.242 1077 V C 2.199 178.414 176.094 0.201 0.000 1.035 1077 V CA 1.198 63.630 62.300 0.220 0.000 1.013 1077 V CB -0.601 31.435 31.823 0.354 0.000 0.652 1077 V HN 0.219 nan 8.190 nan 0.000 0.452 1078 L N 0.318 121.667 121.223 0.209 0.000 1.976 1078 L HA -0.149 4.189 4.340 -0.004 0.000 0.209 1078 L C 2.369 179.301 176.870 0.102 0.000 1.071 1078 L CA 2.276 57.212 54.840 0.159 0.000 0.746 1078 L CB -1.013 41.151 42.059 0.176 0.000 0.890 1078 L HN 0.394 nan 8.230 nan 0.000 0.432 1079 c N 0.191 118.849 118.600 0.097 0.000 2.432 1079 c HA 0.035 4.603 4.570 -0.004 0.000 0.282 1079 c C 2.719 176.866 174.090 0.096 0.000 1.388 1079 c CA 0.326 56.705 56.329 0.083 0.000 1.777 1079 c CB -2.018 40.534 42.510 0.070 0.000 1.882 1079 c HN 0.767 nan 8.230 nan 0.000 0.520 1080 G N 0.623 109.486 108.800 0.105 0.000 2.408 1080 G HA2 -0.007 3.951 3.960 -0.004 0.000 0.217 1080 G HA3 -0.007 3.951 3.960 -0.004 0.000 0.217 1080 G C 1.823 176.804 174.900 0.136 0.000 1.150 1080 G CA 0.890 46.055 45.100 0.109 0.000 0.776 1080 G HN 0.597 nan 8.290 nan 0.000 0.542 1081 A N -0.007 122.896 122.820 0.139 0.000 2.066 1081 A HA 0.225 4.543 4.320 -0.004 0.000 0.218 1081 A C 2.454 180.162 177.584 0.208 0.000 1.157 1081 A CA 1.459 53.598 52.037 0.170 0.000 0.670 1081 A CB -0.187 18.905 19.000 0.154 0.000 0.804 1081 A HN 0.244 nan 8.150 nan 0.000 0.453 1082 V N -0.103 119.901 119.914 0.149 0.000 2.535 1082 V HA -0.149 3.969 4.120 -0.004 0.000 0.246 1082 V C 2.392 178.581 176.094 0.159 0.000 1.045 1082 V CA 1.920 64.300 62.300 0.133 0.000 1.058 1082 V CB -0.520 31.349 31.823 0.077 0.000 0.689 1082 V HN 0.605 nan 8.190 nan 0.000 0.461 1083 K N -0.793 119.703 120.400 0.159 0.000 2.057 1083 K HA -0.262 4.056 4.320 -0.004 0.000 0.207 1083 K C 2.044 178.751 176.600 0.179 0.000 1.049 1083 K CA 2.050 58.422 56.287 0.143 0.000 0.931 1083 K CB -0.256 32.319 32.500 0.124 0.000 0.714 1083 K HN 0.573 nan 8.250 nan 0.000 0.440 1084 W N 1.606 122.936 121.300 0.049 0.000 2.363 1084 W HA -0.177 4.480 4.660 -0.004 0.000 0.296 1084 W C 1.498 178.062 176.519 0.076 0.000 1.212 1084 W CA 1.295 58.669 57.345 0.050 0.000 1.260 1084 W CB -0.147 29.337 29.460 0.040 0.000 1.131 1084 W HN 0.015 nan 8.180 nan 0.000 0.530 1085 L N -0.017 121.364 121.223 0.263 0.000 2.027 1085 L HA -0.205 4.133 4.340 -0.004 0.000 0.206 1085 L C 2.394 179.324 176.870 0.100 0.000 1.074 1085 L CA 1.383 56.315 54.840 0.153 0.000 0.745 1085 L CB -0.750 41.479 42.059 0.284 0.000 0.898 1085 L HN -0.008 nan 8.230 nan 0.000 0.433 1086 I N -0.668 119.980 120.570 0.129 0.000 2.286 1086 I HA -0.248 3.919 4.170 -0.004 0.000 0.245 1086 I C 2.300 178.391 176.117 -0.044 0.000 1.104 1086 I CA 1.105 62.472 61.300 0.113 0.000 1.397 1086 I CB -0.157 37.911 38.000 0.114 0.000 1.072 1086 I HN 0.193 nan 8.210 nan 0.000 0.417 1087 L N 0.066 121.244 121.223 -0.076 0.000 2.023 1087 L HA -0.112 4.226 4.340 -0.004 0.000 0.205 1087 L C 2.646 179.394 176.870 -0.202 0.000 1.073 1087 L CA 1.280 56.051 54.840 -0.115 0.000 0.745 1087 L CB -0.586 41.426 42.059 -0.078 0.000 0.900 1087 L HN 0.202 nan 8.230 nan 0.000 0.435 1088 E N 0.322 120.314 120.200 -0.347 0.000 2.033 1088 E HA -0.057 4.291 4.350 -0.004 0.000 0.189 1088 E C 0.475 176.843 176.600 -0.387 0.000 0.979 1088 E CA 0.775 56.905 56.400 -0.450 0.000 0.802 1088 E CB 0.112 29.287 29.700 -0.875 0.000 0.763 1088 E HN 0.208 nan 8.360 nan 0.000 0.449 1089 K N 1.718 121.870 120.400 -0.414 0.000 2.319 1089 K HA 0.296 4.614 4.320 -0.004 0.000 0.237 1089 K C -0.499 175.939 176.600 -0.270 0.000 1.113 1089 K CA -0.041 56.087 56.287 -0.265 0.000 1.072 1089 K CB 0.904 33.294 32.500 -0.182 0.000 1.734 1089 K HN 0.119 nan 8.250 nan 0.000 0.429 1090 Q N 1.020 120.613 119.800 -0.344 0.000 2.327 1090 Q HA 0.253 4.591 4.340 -0.004 0.000 0.265 1090 Q C -1.215 174.578 176.000 -0.345 0.000 0.993 1090 Q CA -0.489 55.005 55.803 -0.515 0.000 0.885 1090 Q CB 2.052 30.387 28.738 -0.672 0.000 1.379 1090 Q HN 0.207 nan 8.270 nan 0.000 0.408 1091 K N 2.629 122.824 120.400 -0.341 0.000 2.127 1091 K HA 0.339 4.657 4.320 -0.004 0.000 0.240 1091 K C -1.712 174.754 176.600 -0.224 0.000 1.024 1091 K CA -1.786 54.354 56.287 -0.245 0.000 0.918 1091 K CB 0.513 32.871 32.500 -0.236 0.000 1.108 1091 K HN 0.377 nan 8.250 nan 0.000 0.485 1092 P HA -0.245 nan 4.420 nan 0.000 0.217 1092 P C 0.423 177.646 177.300 -0.128 0.000 1.162 1092 P CA 1.684 64.709 63.100 -0.125 0.000 0.901 1092 P CB 0.073 31.718 31.700 -0.090 0.000 0.793 1093 D N -2.798 117.508 120.400 -0.157 0.000 2.348 1093 D HA 0.107 4.745 4.640 -0.004 0.000 0.211 1093 D C 1.233 177.417 176.300 -0.194 0.000 0.998 1093 D CA 0.953 54.877 54.000 -0.127 0.000 0.873 1093 D CB -0.592 40.168 40.800 -0.066 0.000 0.925 1093 D HN 0.302 nan 8.370 nan 0.000 0.524 1094 G N -0.257 108.352 108.800 -0.319 0.000 2.155 1094 G HA2 -0.158 3.799 3.960 -0.004 0.000 0.135 1094 G HA3 -0.158 3.799 3.960 -0.004 0.000 0.135 1094 G C -0.207 174.432 174.900 -0.435 0.000 1.023 1094 G CA -0.097 44.788 45.100 -0.359 0.000 0.688 1094 G HN 0.277 nan 8.290 nan 0.000 0.499 1095 V N 1.723 121.319 119.914 -0.531 0.000 2.356 1095 V HA 0.351 4.469 4.120 -0.004 0.000 0.258 1095 V C 0.759 176.725 176.094 -0.214 0.000 1.065 1095 V CA -0.269 61.791 62.300 -0.401 0.000 0.935 1095 V CB -0.238 31.271 31.823 -0.523 0.000 1.061 1095 V HN 0.283 nan 8.190 nan 0.000 0.484 1096 F N 3.684 123.594 119.950 -0.068 0.000 2.650 1096 F HA 0.126 4.651 4.527 -0.004 0.000 0.338 1096 F C 1.114 176.923 175.800 0.015 0.000 1.311 1096 F CA 0.433 58.424 58.000 -0.015 0.000 1.106 1096 F CB -0.205 38.820 39.000 0.042 0.000 1.500 1096 F HN 0.526 nan 8.300 nan 0.000 0.670 1097 Q N 1.634 121.480 119.800 0.076 0.000 2.354 1097 Q HA 0.097 4.434 4.340 -0.004 0.000 0.244 1097 Q C -0.006 176.056 176.000 0.103 0.000 0.969 1097 Q CA -0.743 55.100 55.803 0.067 0.000 0.885 1097 Q CB 0.878 29.615 28.738 -0.001 0.000 1.241 1097 Q HN 0.443 nan 8.270 nan 0.000 0.461 1098 E N 1.277 121.537 120.200 0.100 0.000 2.360 1098 E HA 0.003 4.351 4.350 -0.004 0.000 0.269 1098 E C -0.901 175.755 176.600 0.092 0.000 1.022 1098 E CA 0.465 56.934 56.400 0.115 0.000 0.887 1098 E CB 0.869 30.616 29.700 0.079 0.000 0.990 1098 E HN 0.552 nan 8.360 nan 0.000 0.426 1099 D N 2.118 122.593 120.400 0.125 0.000 2.455 1099 D HA 0.262 4.900 4.640 -0.004 0.000 0.228 1099 D C -0.767 175.600 176.300 0.112 0.000 1.070 1099 D CA 0.350 54.416 54.000 0.110 0.000 0.881 1099 D CB 0.792 41.671 40.800 0.132 0.000 1.087 1099 D HN 0.333 nan 8.370 nan 0.000 0.498 1100 A N 1.313 124.212 122.820 0.131 0.000 2.605 1100 A HA 0.533 4.850 4.320 -0.004 0.000 0.293 1100 A C -2.751 174.886 177.584 0.088 0.000 1.216 1100 A CA -1.267 50.836 52.037 0.109 0.000 0.742 1100 A CB 0.819 19.898 19.000 0.132 0.000 1.170 1100 A HN -0.189 nan 8.150 nan 0.000 0.443 1101 P HA 0.230 nan 4.420 nan 0.000 0.268 1101 P C 0.513 177.818 177.300 0.008 0.000 1.204 1101 P CA 0.025 63.129 63.100 0.006 0.000 0.768 1101 P CB 0.823 32.515 31.700 -0.015 0.000 0.842 1102 V N 2.077 121.979 119.914 -0.020 0.000 2.924 1102 V HA 0.104 4.222 4.120 -0.004 0.000 0.305 1102 V C 1.501 177.590 176.094 -0.009 0.000 1.073 1102 V CA 0.055 62.356 62.300 0.001 0.000 1.098 1102 V CB -0.085 31.724 31.823 -0.024 0.000 1.000 1102 V HN 0.450 nan 8.190 nan 0.000 0.484 1103 I N 1.126 121.710 120.570 0.023 0.000 2.163 1103 I HA -0.086 4.081 4.170 -0.004 0.000 0.240 1103 I C 1.434 177.496 176.117 -0.091 0.000 1.081 1103 I CA 1.084 62.367 61.300 -0.028 0.000 1.353 1103 I CB -0.421 37.567 38.000 -0.019 0.000 1.054 1103 I HN 0.723 nan 8.210 nan 0.000 0.407 1104 H N 3.233 122.285 119.070 -0.031 0.000 3.198 1104 H HA 0.063 4.617 4.556 -0.004 0.000 0.255 1104 H C 0.842 176.103 175.328 -0.112 0.000 1.729 1104 H CA -0.018 56.007 56.048 -0.039 0.000 1.495 1104 H CB 0.325 30.071 29.762 -0.026 0.000 1.807 1104 H HN 0.397 nan 8.280 nan 0.000 0.554 1105 Q N 1.269 121.032 119.800 -0.061 0.000 2.369 1105 Q HA -0.103 4.234 4.340 -0.004 0.000 0.206 1105 Q C 1.696 177.590 176.000 -0.177 0.000 0.963 1105 Q CA 0.572 56.285 55.803 -0.150 0.000 0.894 1105 Q CB 0.337 28.995 28.738 -0.133 0.000 0.965 1105 Q HN 0.759 nan 8.270 nan 0.000 0.475 1106 E N 0.505 120.634 120.200 -0.119 0.000 2.265 1106 E HA -0.204 4.144 4.350 -0.004 0.000 0.196 1106 E C 1.915 178.407 176.600 -0.179 0.000 0.996 1106 E CA 1.035 57.349 56.400 -0.143 0.000 0.832 1106 E CB -0.602 28.970 29.700 -0.213 0.000 0.756 1106 E HN 0.510 nan 8.360 nan 0.000 0.491 1107 M N 1.032 120.511 119.600 -0.201 0.000 2.254 1107 M HA 0.003 4.481 4.480 -0.004 0.000 0.265 1107 M C 2.471 178.587 176.300 -0.307 0.000 1.066 1107 M CA 1.483 56.661 55.300 -0.202 0.000 1.123 1107 M CB -0.800 31.709 32.600 -0.151 0.000 1.388 1107 M HN 0.140 nan 8.290 nan 0.000 0.425 1108 I N -1.528 118.694 120.570 -0.579 0.000 3.111 1108 I HA 0.330 4.498 4.170 -0.004 0.000 0.272 1108 I C 1.318 177.199 176.117 -0.393 0.000 1.268 1108 I CA 0.513 61.286 61.300 -0.878 0.000 1.467 1108 I CB -0.975 36.138 38.000 -1.479 0.000 1.087 1108 I HN 0.566 nan 8.210 nan 0.000 0.467 1109 G N 1.706 110.375 108.800 -0.218 0.000 2.536 1109 G HA2 -0.344 3.614 3.960 -0.004 0.000 0.277 1109 G HA3 -0.344 3.614 3.960 -0.004 0.000 0.277 1109 G C 0.858 175.481 174.900 -0.462 0.000 1.155 1109 G CA 0.182 45.248 45.100 -0.057 0.000 0.960 1109 G HN 0.540 nan 8.290 nan 0.000 0.544 1110 G N -0.425 107.946 108.800 -0.716 0.000 2.484 1110 G HA2 0.230 4.187 3.960 -0.004 0.000 0.218 1110 G HA3 0.230 4.187 3.960 -0.004 0.000 0.218 1110 G C 1.766 176.023 174.900 -1.071 0.000 1.130 1110 G CA 1.589 45.740 45.100 -1.582 0.000 0.784 1110 G HN 0.656 nan 8.290 nan 0.000 0.543 1111 L N 0.251 121.139 121.223 -0.557 0.000 2.275 1111 L HA 0.108 4.445 4.340 -0.004 0.000 0.215 1111 L C 2.667 179.309 176.870 -0.381 0.000 1.119 1111 L CA 1.013 55.645 54.840 -0.345 0.000 0.790 1111 L CB -0.543 41.326 42.059 -0.317 0.000 0.919 1111 L HN 0.207 nan 8.230 nan 0.000 0.443 1112 R N 0.051 120.286 120.500 -0.441 0.000 2.105 1112 R HA -0.167 4.171 4.340 -0.004 0.000 0.239 1112 R C 0.813 176.953 176.300 -0.266 0.000 1.135 1112 R CA 0.685 56.587 56.100 -0.328 0.000 0.967 1112 R CB -0.185 29.958 30.300 -0.261 0.000 0.861 1112 R HN 0.307 nan 8.270 nan 0.000 0.442 1113 N N 0.806 119.298 118.700 -0.346 0.000 2.454 1113 N HA -0.087 4.650 4.740 -0.004 0.000 0.260 1113 N C 0.234 175.642 175.510 -0.170 0.000 1.218 1113 N CA 0.280 53.185 53.050 -0.241 0.000 0.904 1113 N CB 0.704 39.013 38.487 -0.298 0.000 1.065 1113 N HN 0.106 nan 8.380 nan 0.000 0.462 1114 N N 2.362 120.998 118.700 -0.108 0.000 2.494 1114 N HA -0.029 4.708 4.740 -0.004 0.000 0.182 1114 N C -0.660 174.819 175.510 -0.051 0.000 1.076 1114 N CA 0.295 53.301 53.050 -0.073 0.000 0.908 1114 N CB -0.226 38.230 38.487 -0.052 0.000 0.967 1114 N HN 0.602 nan 8.380 nan 0.000 0.449 1115 N N 1.953 120.620 118.700 -0.055 0.000 2.416 1115 N HA -0.019 4.719 4.740 -0.004 0.000 0.271 1115 N C -0.642 174.859 175.510 -0.016 0.000 1.245 1115 N CA 0.180 53.211 53.050 -0.031 0.000 0.940 1115 N CB 0.200 38.668 38.487 -0.032 0.000 1.175 1115 N HN 0.139 nan 8.380 nan 0.000 0.483 1116 E N 0.423 120.626 120.200 0.005 0.000 2.358 1116 E HA -0.232 4.116 4.350 -0.004 0.000 0.246 1116 E C -0.003 176.626 176.600 0.048 0.000 1.127 1116 E CA 0.411 56.829 56.400 0.031 0.000 0.726 1116 E CB -1.056 28.659 29.700 0.026 0.000 1.272 1116 E HN 0.715 nan 8.360 nan 0.000 0.390 1117 K N -0.478 119.941 120.400 0.032 0.000 2.504 1117 K HA 0.049 4.367 4.320 -0.004 0.000 0.199 1117 K C 0.359 177.005 176.600 0.077 0.000 1.028 1117 K CA 0.267 56.573 56.287 0.031 0.000 1.164 1117 K CB 0.513 33.000 32.500 -0.022 0.000 0.877 1117 K HN 0.007 nan 8.250 nan 0.000 0.508 1118 D N 0.129 120.601 120.400 0.120 0.000 2.417 1118 D HA 0.108 4.746 4.640 -0.004 0.000 0.207 1118 D C 1.366 177.853 176.300 0.311 0.000 1.075 1118 D CA 0.277 54.383 54.000 0.176 0.000 0.851 1118 D CB 0.449 41.345 40.800 0.160 0.000 0.976 1118 D HN 0.190 nan 8.370 nan 0.000 0.505 1119 M N 0.294 120.049 119.600 0.258 0.000 2.412 1119 M HA 0.155 4.633 4.480 -0.004 0.000 0.263 1119 M C 2.176 178.594 176.300 0.196 0.000 1.122 1119 M CA 0.548 55.995 55.300 0.246 0.000 1.179 1119 M CB -0.674 31.978 32.600 0.087 0.000 1.335 1119 M HN -0.078 nan 8.290 nan 0.000 0.465 1120 A N 0.177 123.091 122.820 0.158 0.000 1.898 1120 A HA -0.125 4.193 4.320 -0.004 0.000 0.216 1120 A C 2.111 179.822 177.584 0.212 0.000 1.181 1120 A CA 1.157 53.288 52.037 0.157 0.000 0.620 1120 A CB -0.897 18.229 19.000 0.209 0.000 0.819 1120 A HN 0.391 nan 8.150 nan 0.000 0.442 1121 L N -0.025 121.324 121.223 0.211 0.000 2.191 1121 L HA -0.088 4.250 4.340 -0.004 0.000 0.212 1121 L C 2.328 179.370 176.870 0.286 0.000 1.103 1121 L CA 2.474 57.463 54.840 0.248 0.000 0.769 1121 L CB -0.717 41.455 42.059 0.188 0.000 0.908 1121 L HN 0.378 nan 8.230 nan 0.000 0.438 1122 T N -0.760 113.969 114.554 0.292 0.000 2.857 1122 T HA -0.044 4.303 4.350 -0.004 0.000 0.266 1122 T C 1.877 176.713 174.700 0.228 0.000 1.048 1122 T CA 1.074 63.382 62.100 0.347 0.000 1.139 1122 T CB -0.305 68.804 68.868 0.402 0.000 0.874 1122 T HN 0.478 nan 8.240 nan 0.000 0.455 1123 A N 0.720 123.652 122.820 0.186 0.000 1.897 1123 A HA 0.116 4.434 4.320 -0.004 0.000 0.215 1123 A C 1.977 179.597 177.584 0.060 0.000 1.181 1123 A CA 0.819 52.909 52.037 0.089 0.000 0.620 1123 A CB -0.880 18.148 19.000 0.047 0.000 0.821 1123 A HN 0.453 nan 8.150 nan 0.000 0.443 1124 F N 0.714 120.669 119.950 0.008 0.000 2.075 1124 F HA -0.176 4.349 4.527 -0.004 0.000 0.297 1124 F C 2.266 178.027 175.800 -0.065 0.000 1.113 1124 F CA 2.134 60.156 58.000 0.036 0.000 1.218 1124 F CB -0.127 38.985 39.000 0.186 0.000 0.984 1124 F HN 0.035 nan 8.300 nan 0.000 0.472 1125 V N 0.277 120.258 119.914 0.112 0.000 2.490 1125 V HA -0.270 3.847 4.120 -0.004 0.000 0.250 1125 V C 2.225 178.079 176.094 -0.401 0.000 1.061 1125 V CA 1.622 63.799 62.300 -0.205 0.000 1.064 1125 V CB -0.705 30.843 31.823 -0.459 0.000 0.670 1125 V HN 0.402 nan 8.190 nan 0.000 0.461 1126 L N -0.150 120.861 121.223 -0.352 0.000 2.056 1126 L HA -0.074 4.263 4.340 -0.004 0.000 0.207 1126 L C 2.138 178.886 176.870 -0.203 0.000 1.078 1126 L CA 1.776 56.457 54.840 -0.265 0.000 0.749 1126 L CB -0.409 41.576 42.059 -0.122 0.000 0.901 1126 L HN 0.206 nan 8.230 nan 0.000 0.433 1127 I N -1.094 119.356 120.570 -0.200 0.000 2.264 1127 I HA -0.307 3.861 4.170 -0.004 0.000 0.248 1127 I C 2.288 178.300 176.117 -0.174 0.000 1.111 1127 I CA 1.341 62.529 61.300 -0.188 0.000 1.382 1127 I CB -0.363 37.572 38.000 -0.107 0.000 1.060 1127 I HN 0.210 nan 8.210 nan 0.000 0.418 1128 S N 0.774 116.336 115.700 -0.229 0.000 2.399 1128 S HA -0.093 4.375 4.470 -0.004 0.000 0.231 1128 S C 1.951 176.473 174.600 -0.131 0.000 1.022 1128 S CA 1.134 59.218 58.200 -0.193 0.000 0.983 1128 S CB -0.291 62.774 63.200 -0.225 0.000 0.803 1128 S HN 0.347 nan 8.310 nan 0.000 0.480 1129 L N 1.098 122.237 121.223 -0.141 0.000 2.072 1129 L HA -0.103 4.235 4.340 -0.004 0.000 0.205 1129 L C 2.705 179.532 176.870 -0.071 0.000 1.079 1129 L CA 1.155 55.940 54.840 -0.092 0.000 0.752 1129 L CB -0.481 41.521 42.059 -0.096 0.000 0.906 1129 L HN 0.297 nan 8.230 nan 0.000 0.436 1130 Q N -0.253 119.490 119.800 -0.096 0.000 2.172 1130 Q HA -0.178 4.159 4.340 -0.004 0.000 0.200 1130 Q C 2.012 177.977 176.000 -0.059 0.000 0.964 1130 Q CA 1.182 56.932 55.803 -0.089 0.000 0.855 1130 Q CB 0.052 28.702 28.738 -0.147 0.000 0.918 1130 Q HN 0.532 nan 8.270 nan 0.000 0.444 1131 E N 0.116 120.287 120.200 -0.049 0.000 2.216 1131 E HA -0.048 4.299 4.350 -0.004 0.000 0.192 1131 E C 1.298 177.895 176.600 -0.004 0.000 0.988 1131 E CA 0.719 57.113 56.400 -0.010 0.000 0.834 1131 E CB 0.145 29.850 29.700 0.009 0.000 0.772 1131 E HN 0.243 nan 8.360 nan 0.000 0.479 1132 A N 0.870 123.680 122.820 -0.016 0.000 2.275 1132 A HA 0.040 4.358 4.320 -0.004 0.000 0.212 1132 A C 1.743 179.329 177.584 0.003 0.000 1.201 1132 A CA 0.040 52.076 52.037 -0.001 0.000 0.843 1132 A CB -0.020 18.978 19.000 -0.004 0.000 0.873 1132 A HN -0.033 nan 8.150 nan 0.000 0.492 1133 K N 0.077 120.474 120.400 -0.005 0.000 2.228 1133 K HA -0.104 4.214 4.320 -0.004 0.000 0.202 1133 K C 0.596 177.199 176.600 0.005 0.000 1.051 1133 K CA 1.153 57.439 56.287 -0.001 0.000 0.960 1133 K CB 0.016 32.509 32.500 -0.012 0.000 0.743 1133 K HN 0.286 nan 8.250 nan 0.000 0.458 1134 D N 0.594 120.999 120.400 0.007 0.000 2.218 1134 D HA -0.126 4.512 4.640 -0.004 0.000 0.204 1134 D C 1.584 177.893 176.300 0.015 0.000 0.976 1134 D CA 1.033 55.040 54.000 0.012 0.000 0.853 1134 D CB 0.154 40.963 40.800 0.015 0.000 0.939 1134 D HN 0.318 nan 8.370 nan 0.000 0.481 1135 I N -0.403 120.178 120.570 0.018 0.000 2.726 1135 I HA -0.027 4.141 4.170 -0.004 0.000 0.243 1135 I C 0.566 176.697 176.117 0.024 0.000 1.082 1135 I CA 0.145 61.458 61.300 0.022 0.000 1.447 1135 I CB 0.123 38.140 38.000 0.027 0.000 1.250 1135 I HN -0.152 nan 8.210 nan 0.000 0.453 1136 c N 2.942 121.558 118.600 0.026 0.000 2.459 1136 c HA 0.127 4.695 4.570 -0.004 0.000 0.358 1136 c C 1.402 175.506 174.090 0.023 0.000 1.162 1136 c CA -0.117 56.229 56.329 0.029 0.000 1.559 1136 c CB -1.436 41.095 42.510 0.034 0.000 2.132 1136 c HN 0.469 nan 8.230 nan 0.000 0.536 1137 E N 1.086 121.300 120.200 0.022 0.000 2.538 1137 E HA -0.013 4.335 4.350 -0.004 0.000 0.188 1137 E C 1.372 177.984 176.600 0.020 0.000 1.014 1137 E CA 0.114 56.525 56.400 0.018 0.000 1.140 1137 E CB 0.090 29.799 29.700 0.015 0.000 1.262 1137 E HN 0.551 nan 8.360 nan 0.000 0.488 1138 E N 1.052 121.264 120.200 0.020 0.000 2.371 1138 E HA -0.038 4.309 4.350 -0.004 0.000 0.194 1138 E C 1.794 178.408 176.600 0.023 0.000 1.012 1138 E CA 0.663 57.074 56.400 0.019 0.000 0.860 1138 E CB 0.325 30.035 29.700 0.017 0.000 0.811 1138 E HN 0.184 nan 8.360 nan 0.000 0.502 1139 Q N -0.586 119.230 119.800 0.027 0.000 2.008 1139 Q HA 0.029 4.367 4.340 -0.004 0.000 0.196 1139 Q C 0.184 176.205 176.000 0.035 0.000 0.973 1139 Q CA 0.825 56.648 55.803 0.032 0.000 0.826 1139 Q CB 0.216 28.977 28.738 0.038 0.000 0.894 1139 Q HN 0.048 nan 8.270 nan 0.000 0.439 1140 V N 2.953 122.889 119.914 0.038 0.000 2.352 1140 V HA -0.011 4.107 4.120 -0.004 0.000 0.253 1140 V C 0.776 176.889 176.094 0.031 0.000 1.083 1140 V CA 0.140 62.464 62.300 0.040 0.000 0.993 1140 V CB -0.004 31.847 31.823 0.047 0.000 1.111 1140 V HN 0.354 nan 8.190 nan 0.000 0.490 1141 N N 3.026 121.742 118.700 0.026 0.000 2.022 1141 N HA -0.136 4.602 4.740 -0.004 0.000 0.194 1141 N C 1.450 176.971 175.510 0.018 0.000 1.057 1141 N CA 1.560 54.621 53.050 0.020 0.000 0.849 1141 N CB -0.045 38.452 38.487 0.016 0.000 1.044 1141 N HN 0.698 nan 8.380 nan 0.000 0.424 1142 S N 1.211 116.922 115.700 0.017 0.000 2.994 1142 S HA 0.130 4.597 4.470 -0.004 0.000 0.247 1142 S C 1.077 175.692 174.600 0.025 0.000 1.323 1142 S CA -0.364 57.846 58.200 0.015 0.000 1.246 1142 S CB 0.014 63.218 63.200 0.007 0.000 0.994 1142 S HN 0.200 nan 8.310 nan 0.000 0.484 1143 L N 1.439 122.679 121.223 0.028 0.000 2.044 1143 L HA 0.326 4.664 4.340 -0.004 0.000 0.205 1143 L C -2.174 174.714 176.870 0.030 0.000 1.075 1143 L CA 0.788 55.650 54.840 0.036 0.000 0.747 1143 L CB -1.119 40.959 42.059 0.031 0.000 0.903 1143 L HN 0.208 nan 8.230 nan 0.000 0.435 1144 P HA 0.294 nan 4.420 nan 0.000 0.274 1144 P C 0.290 177.600 177.300 0.015 0.000 1.291 1144 P CA 0.990 64.099 63.100 0.014 0.000 0.815 1144 P CB 0.354 32.059 31.700 0.008 0.000 0.897 1145 G N 2.362 111.174 108.800 0.020 0.000 3.288 1145 G HA2 -0.218 3.740 3.960 -0.004 0.000 0.195 1145 G HA3 -0.218 3.740 3.960 -0.004 0.000 0.195 1145 G C 1.329 176.245 174.900 0.027 0.000 1.093 1145 G CA 0.306 45.416 45.100 0.017 0.000 0.852 1145 G HN 0.418 nan 8.290 nan 0.000 0.453 1146 S N 0.042 115.771 115.700 0.049 0.000 2.489 1146 S HA 0.283 4.751 4.470 -0.004 0.000 0.228 1146 S C 2.212 176.895 174.600 0.139 0.000 0.995 1146 S CA 1.069 59.327 58.200 0.096 0.000 0.934 1146 S CB -0.218 63.071 63.200 0.148 0.000 0.771 1146 S HN 0.427 nan 8.310 nan 0.000 0.522 1147 I N 0.510 121.129 120.570 0.082 0.000 2.585 1147 I HA -0.047 4.121 4.170 -0.004 0.000 0.254 1147 I C 2.198 178.342 176.117 0.045 0.000 1.129 1147 I CA 0.934 62.269 61.300 0.058 0.000 1.455 1147 I CB -0.366 37.645 38.000 0.019 0.000 1.111 1147 I HN 0.252 nan 8.210 nan 0.000 0.433 1148 T N 0.399 114.974 114.554 0.035 0.000 2.851 1148 T HA -0.068 4.280 4.350 -0.004 0.000 0.262 1148 T C 1.985 176.708 174.700 0.038 0.000 1.043 1148 T CA 0.836 62.951 62.100 0.024 0.000 1.140 1148 T CB 0.005 68.881 68.868 0.013 0.000 0.872 1148 T HN 0.080 nan 8.240 nan 0.000 0.446 1149 K N 1.329 121.754 120.400 0.043 0.000 2.103 1149 K HA 0.212 4.529 4.320 -0.004 0.000 0.204 1149 K C 2.575 179.228 176.600 0.089 0.000 1.052 1149 K CA 0.991 57.306 56.287 0.046 0.000 0.945 1149 K CB -0.502 32.003 32.500 0.009 0.000 0.722 1149 K HN 0.315 nan 8.250 nan 0.000 0.443 1150 A N 0.645 123.536 122.820 0.118 0.000 1.972 1150 A HA -0.062 4.256 4.320 -0.004 0.000 0.219 1150 A C 2.222 179.916 177.584 0.184 0.000 1.169 1150 A CA 1.862 54.018 52.037 0.198 0.000 0.635 1150 A CB -0.724 18.459 19.000 0.304 0.000 0.810 1150 A HN 0.368 nan 8.150 nan 0.000 0.446 1151 G N -1.125 107.739 108.800 0.108 0.000 2.744 1151 G HA2 -0.081 3.877 3.960 -0.004 0.000 0.211 1151 G HA3 -0.081 3.877 3.960 -0.004 0.000 0.211 1151 G C 1.162 176.095 174.900 0.055 0.000 1.143 1151 G CA 1.002 46.138 45.100 0.060 0.000 0.788 1151 G HN 0.479 nan 8.290 nan 0.000 0.534 1152 D N -0.018 120.435 120.400 0.088 0.000 2.197 1152 D HA -0.050 4.587 4.640 -0.004 0.000 0.212 1152 D C 1.903 178.272 176.300 0.115 0.000 0.963 1152 D CA -0.034 54.013 54.000 0.079 0.000 0.864 1152 D CB -0.098 40.748 40.800 0.076 0.000 1.009 1152 D HN 0.171 nan 8.370 nan 0.000 0.479 1153 F N 1.603 121.569 119.950 0.027 0.000 2.095 1153 F HA -0.116 4.409 4.527 -0.004 0.000 0.298 1153 F C 2.117 177.950 175.800 0.054 0.000 1.104 1153 F CA 1.393 59.414 58.000 0.035 0.000 1.232 1153 F CB -0.344 38.678 39.000 0.036 0.000 0.987 1153 F HN -0.064 nan 8.300 nan 0.000 0.475 1154 L N -0.277 120.955 121.223 0.014 0.000 2.131 1154 L HA -0.111 4.227 4.340 -0.004 0.000 0.206 1154 L C 2.476 179.348 176.870 0.004 0.000 1.087 1154 L CA 1.474 56.284 54.840 -0.051 0.000 0.767 1154 L CB -0.858 41.265 42.059 0.107 0.000 0.917 1154 L HN 0.228 nan 8.230 nan 0.000 0.441 1155 E N 0.815 121.018 120.200 0.005 0.000 2.047 1155 E HA -0.226 4.122 4.350 -0.004 0.000 0.191 1155 E C 2.238 178.840 176.600 0.003 0.000 0.987 1155 E CA 1.223 57.615 56.400 -0.014 0.000 0.799 1155 E CB 0.066 29.739 29.700 -0.045 0.000 0.752 1155 E HN 0.422 nan 8.360 nan 0.000 0.449 1156 A N 1.359 124.163 122.820 -0.027 0.000 1.858 1156 A HA -0.171 4.147 4.320 -0.004 0.000 0.216 1156 A C 1.691 179.243 177.584 -0.053 0.000 1.190 1156 A CA 1.699 53.716 52.037 -0.034 0.000 0.617 1156 A CB -0.521 18.458 19.000 -0.035 0.000 0.827 1156 A HN 0.253 nan 8.150 nan 0.000 0.443 1157 N N -1.468 117.143 118.700 -0.148 0.000 2.362 1157 N HA 0.074 4.812 4.740 -0.004 0.000 0.204 1157 N C 0.656 176.113 175.510 -0.088 0.000 1.166 1157 N CA 0.083 53.026 53.050 -0.178 0.000 0.831 1157 N CB -0.412 37.833 38.487 -0.402 0.000 1.008 1157 N HN 0.635 nan 8.380 nan 0.000 0.472 1158 Y N 0.858 121.088 120.300 -0.117 0.000 2.373 1158 Y HA 0.004 4.552 4.550 -0.004 0.000 0.293 1158 Y C 1.398 177.278 175.900 -0.033 0.000 1.129 1158 Y CA 1.089 59.150 58.100 -0.065 0.000 1.226 1158 Y CB 0.261 38.692 38.460 -0.047 0.000 1.000 1158 Y HN 0.008 nan 8.280 nan 0.000 0.549 1159 M N -0.212 119.430 119.600 0.070 0.000 2.568 1159 M HA 0.075 4.553 4.480 -0.004 0.000 0.226 1159 M C -0.403 175.877 176.300 -0.033 0.000 1.148 1159 M CA 0.654 55.969 55.300 0.025 0.000 1.007 1159 M CB -1.146 31.484 32.600 0.050 0.000 1.651 1159 M HN 0.326 nan 8.290 nan 0.000 0.488 1160 N N 0.906 119.563 118.700 -0.071 0.000 2.599 1160 N HA 0.388 5.125 4.740 -0.004 0.000 0.309 1160 N C -1.087 174.369 175.510 -0.090 0.000 1.743 1160 N CA -0.094 52.915 53.050 -0.070 0.000 0.918 1160 N CB 1.101 39.549 38.487 -0.065 0.000 1.339 1160 N HN 0.172 nan 8.380 nan 0.000 0.493 1161 L N 1.071 122.225 121.223 -0.114 0.000 2.446 1161 L HA 0.312 4.649 4.340 -0.004 0.000 0.268 1161 L C 0.890 177.713 176.870 -0.078 0.000 0.975 1161 L CA -0.554 54.218 54.840 -0.113 0.000 0.848 1161 L CB 2.018 43.958 42.059 -0.198 0.000 1.225 1161 L HN 0.101 nan 8.230 nan 0.000 0.410 1162 Q N 1.781 121.556 119.800 -0.042 0.000 1.994 1162 Q HA 0.071 4.409 4.340 -0.004 0.000 0.198 1162 Q C 0.517 176.513 176.000 -0.006 0.000 0.976 1162 Q CA 1.007 56.795 55.803 -0.024 0.000 0.828 1162 Q CB 0.134 28.862 28.738 -0.015 0.000 0.894 1162 Q HN 0.545 nan 8.270 nan 0.000 0.432 1163 R N 0.774 121.283 120.500 0.014 0.000 2.679 1163 R HA 0.055 4.393 4.340 -0.004 0.000 0.268 1163 R C 1.556 177.910 176.300 0.090 0.000 1.044 1163 R CA -0.026 56.107 56.100 0.056 0.000 1.105 1163 R CB 0.381 30.726 30.300 0.076 0.000 0.989 1163 R HN 0.101 nan 8.270 nan 0.000 0.447 1164 S N 1.269 117.052 115.700 0.139 0.000 2.453 1164 S HA -0.138 4.330 4.470 -0.004 0.000 0.231 1164 S C 1.361 176.134 174.600 0.288 0.000 1.005 1164 S CA 0.624 58.964 58.200 0.235 0.000 0.949 1164 S CB -0.176 63.167 63.200 0.239 0.000 0.774 1164 S HN 0.618 nan 8.310 nan 0.000 0.510 1165 Y N 2.826 123.198 120.300 0.118 0.000 2.153 1165 Y HA -0.157 4.390 4.550 -0.004 0.000 0.289 1165 Y C 2.477 178.396 175.900 0.032 0.000 1.127 1165 Y CA 1.789 59.938 58.100 0.083 0.000 1.131 1165 Y CB -0.744 37.735 38.460 0.033 0.000 0.995 1165 Y HN 0.174 nan 8.280 nan 0.000 0.505 1166 T N -0.513 114.120 114.554 0.131 0.000 2.951 1166 T HA -0.111 4.237 4.350 -0.004 0.000 0.268 1166 T C 2.007 176.655 174.700 -0.086 0.000 1.073 1166 T CA 1.201 63.307 62.100 0.011 0.000 1.134 1166 T CB -0.528 68.370 68.868 0.050 0.000 0.884 1166 T HN 0.187 nan 8.240 nan 0.000 0.479 1167 V N 1.475 121.350 119.914 -0.064 0.000 2.427 1167 V HA -0.114 4.004 4.120 -0.004 0.000 0.248 1167 V C 2.798 178.951 176.094 0.098 0.000 1.051 1167 V CA 1.757 63.987 62.300 -0.118 0.000 1.048 1167 V CB -0.957 30.883 31.823 0.029 0.000 0.666 1167 V HN 0.547 nan 8.190 nan 0.000 0.456 1168 A N -0.645 122.212 122.820 0.061 0.000 1.911 1168 A HA 0.003 4.320 4.320 -0.004 0.000 0.212 1168 A C 2.175 179.697 177.584 -0.102 0.000 1.189 1168 A CA 1.220 53.256 52.037 -0.001 0.000 0.639 1168 A CB -0.404 18.441 19.000 -0.259 0.000 0.839 1168 A HN 0.440 nan 8.150 nan 0.000 0.449 1169 I N -0.374 120.005 120.570 -0.320 0.000 2.361 1169 I HA -0.201 3.966 4.170 -0.004 0.000 0.251 1169 I C 2.493 178.496 176.117 -0.189 0.000 1.133 1169 I CA 1.189 62.199 61.300 -0.484 0.000 1.413 1169 I CB -0.007 37.544 38.000 -0.749 0.000 1.073 1169 I HN 0.322 nan 8.210 nan 0.000 0.424 1170 A N 0.212 123.001 122.820 -0.052 0.000 1.968 1170 A HA -0.008 4.310 4.320 -0.004 0.000 0.217 1170 A C 2.309 179.950 177.584 0.095 0.000 1.169 1170 A CA 1.232 53.314 52.037 0.074 0.000 0.638 1170 A CB -1.249 17.856 19.000 0.175 0.000 0.812 1170 A HN 0.486 nan 8.150 nan 0.000 0.446 1171 G N -1.674 107.205 108.800 0.131 0.000 2.422 1171 G HA2 -0.239 3.718 3.960 -0.004 0.000 0.218 1171 G HA3 -0.239 3.718 3.960 -0.004 0.000 0.218 1171 G C 1.495 176.263 174.900 -0.220 0.000 1.140 1171 G CA 1.266 46.295 45.100 -0.119 0.000 0.775 1171 G HN 0.563 nan 8.290 nan 0.000 0.545 1172 Y N 1.929 122.107 120.300 -0.202 0.000 2.286 1172 Y HA 0.262 4.810 4.550 -0.004 0.000 0.293 1172 Y C 2.742 178.582 175.900 -0.101 0.000 1.124 1172 Y CA 0.550 58.571 58.100 -0.132 0.000 1.178 1172 Y CB -0.482 37.987 38.460 0.016 0.000 1.010 1172 Y HN 0.220 nan 8.280 nan 0.000 0.536 1173 A N 0.460 123.147 122.820 -0.223 0.000 1.933 1173 A HA -0.149 4.169 4.320 -0.004 0.000 0.218 1173 A C 2.324 179.770 177.584 -0.230 0.000 1.175 1173 A CA 1.856 53.730 52.037 -0.271 0.000 0.628 1173 A CB -1.073 17.850 19.000 -0.127 0.000 0.814 1173 A HN 0.532 nan 8.150 nan 0.000 0.444 1174 L N -1.027 120.079 121.223 -0.195 0.000 2.044 1174 L HA -0.131 4.207 4.340 -0.004 0.000 0.205 1174 L C 3.048 179.797 176.870 -0.202 0.000 1.075 1174 L CA 1.037 55.759 54.840 -0.196 0.000 0.747 1174 L CB -0.469 41.437 42.059 -0.256 0.000 0.903 1174 L HN 0.412 nan 8.230 nan 0.000 0.435 1175 A N -0.810 121.877 122.820 -0.221 0.000 2.067 1175 A HA -0.208 4.109 4.320 -0.004 0.000 0.219 1175 A C 2.159 179.660 177.584 -0.139 0.000 1.158 1175 A CA 1.158 53.091 52.037 -0.174 0.000 0.661 1175 A CB -0.372 18.532 19.000 -0.159 0.000 0.801 1175 A HN 0.476 nan 8.150 nan 0.000 0.452 1176 Q N -1.030 118.649 119.800 -0.202 0.000 2.224 1176 Q HA -0.059 4.279 4.340 -0.004 0.000 0.203 1176 Q C 1.903 177.830 176.000 -0.122 0.000 0.970 1176 Q CA 1.535 57.228 55.803 -0.182 0.000 0.865 1176 Q CB -0.190 28.361 28.738 -0.311 0.000 0.922 1176 Q HN 0.767 nan 8.270 nan 0.000 0.445 1177 M N -1.903 117.624 119.600 -0.120 0.000 2.486 1177 M HA 0.162 4.640 4.480 -0.004 0.000 0.264 1177 M C 0.847 177.105 176.300 -0.070 0.000 1.125 1177 M CA 0.770 56.020 55.300 -0.085 0.000 1.144 1177 M CB 0.780 33.331 32.600 -0.081 0.000 1.353 1177 M HN 0.256 nan 8.290 nan 0.000 0.466 1178 G N 1.996 110.747 108.800 -0.083 0.000 2.270 1178 G HA2 -0.206 3.751 3.960 -0.004 0.000 0.224 1178 G HA3 -0.206 3.751 3.960 -0.004 0.000 0.224 1178 G C 0.156 175.010 174.900 -0.076 0.000 1.079 1178 G CA -0.324 44.734 45.100 -0.071 0.000 0.807 1178 G HN 0.471 nan 8.290 nan 0.000 0.492 1179 R N -1.116 119.324 120.500 -0.100 0.000 2.629 1179 R HA 0.306 4.644 4.340 -0.004 0.000 0.408 1179 R C 0.159 176.372 176.300 -0.146 0.000 1.057 1179 R CA -0.454 55.584 56.100 -0.103 0.000 1.119 1179 R CB 0.573 30.817 30.300 -0.092 0.000 1.403 1179 R HN 0.253 nan 8.270 nan 0.000 0.576 1180 L N 1.797 122.922 121.223 -0.162 0.000 2.360 1180 L HA 0.383 4.720 4.340 -0.004 0.000 0.265 1180 L C -1.003 175.777 176.870 -0.151 0.000 1.066 1180 L CA 0.179 54.890 54.840 -0.215 0.000 0.929 1180 L CB 0.113 42.007 42.059 -0.274 0.000 1.306 1180 L HN -0.094 nan 8.230 nan 0.000 0.434 1181 K N 2.510 122.834 120.400 -0.127 0.000 2.502 1181 K HA 0.819 5.137 4.320 -0.004 0.000 0.257 1181 K C 0.051 176.614 176.600 -0.062 0.000 0.938 1181 K CA -0.505 55.736 56.287 -0.077 0.000 0.819 1181 K CB 2.118 34.583 32.500 -0.058 0.000 1.333 1181 K HN 0.523 nan 8.250 nan 0.000 0.434 1182 G N 2.063 110.842 108.800 -0.034 0.000 2.520 1182 G HA2 -0.226 3.732 3.960 -0.004 0.000 0.248 1182 G HA3 -0.226 3.732 3.960 -0.004 0.000 0.248 1182 G C -1.883 173.014 174.900 -0.005 0.000 1.161 1182 G CA -0.113 44.976 45.100 -0.019 0.000 0.946 1182 G HN 0.482 nan 8.290 nan 0.000 0.565 1183 P HA 0.106 nan 4.420 nan 0.000 0.223 1183 P C 2.067 179.405 177.300 0.065 0.000 1.151 1183 P CA 1.172 64.291 63.100 0.031 0.000 0.787 1183 P CB 0.001 31.720 31.700 0.031 0.000 0.788 1184 L N -1.092 120.138 121.223 0.012 0.000 2.240 1184 L HA -0.029 4.308 4.340 -0.004 0.000 0.211 1184 L C 2.397 179.224 176.870 -0.073 0.000 1.106 1184 L CA 1.090 55.896 54.840 -0.057 0.000 0.793 1184 L CB -1.440 40.430 42.059 -0.315 0.000 0.927 1184 L HN -0.049 nan 8.230 nan 0.000 0.446 1185 L N -0.803 120.396 121.223 -0.040 0.000 2.341 1185 L HA -0.012 4.326 4.340 -0.004 0.000 0.214 1185 L C 2.046 178.990 176.870 0.123 0.000 1.115 1185 L CA 1.217 56.071 54.840 0.024 0.000 0.820 1185 L CB -0.660 41.387 42.059 -0.019 0.000 0.944 1185 L HN 0.263 nan 8.230 nan 0.000 0.452 1186 N N 0.064 118.819 118.700 0.092 0.000 2.220 1186 N HA -0.174 4.563 4.740 -0.004 0.000 0.182 1186 N C 1.870 177.439 175.510 0.098 0.000 1.023 1186 N CA 1.259 54.347 53.050 0.064 0.000 0.856 1186 N CB 0.032 38.539 38.487 0.034 0.000 0.997 1186 N HN 0.335 nan 8.380 nan 0.000 0.429 1187 K N -0.596 119.907 120.400 0.173 0.000 2.152 1187 K HA -0.160 4.158 4.320 -0.004 0.000 0.206 1187 K C 1.985 178.756 176.600 0.285 0.000 1.048 1187 K CA 0.983 57.389 56.287 0.199 0.000 0.933 1187 K CB -0.336 32.319 32.500 0.258 0.000 0.721 1187 K HN 0.138 nan 8.250 nan 0.000 0.447 1188 F N 1.524 121.637 119.950 0.271 0.000 2.095 1188 F HA -0.178 4.346 4.527 -0.004 0.000 0.298 1188 F C 1.577 177.548 175.800 0.286 0.000 1.104 1188 F CA 1.503 59.718 58.000 0.359 0.000 1.232 1188 F CB -0.330 38.830 39.000 0.268 0.000 0.987 1188 F HN -0.040 nan 8.300 nan 0.000 0.475 1189 L N -0.295 120.876 121.223 -0.086 0.000 2.056 1189 L HA -0.179 4.159 4.340 -0.004 0.000 0.207 1189 L C 2.478 179.101 176.870 -0.412 0.000 1.078 1189 L CA 1.842 56.404 54.840 -0.463 0.000 0.749 1189 L CB -1.118 40.684 42.059 -0.428 0.000 0.901 1189 L HN 0.327 nan 8.230 nan 0.000 0.433 1190 T N -5.934 108.484 114.554 -0.227 0.000 3.067 1190 T HA -0.047 4.301 4.350 -0.004 0.000 0.257 1190 T C 1.699 176.248 174.700 -0.252 0.000 1.105 1190 T CA 0.864 62.845 62.100 -0.198 0.000 1.104 1190 T CB -0.293 68.513 68.868 -0.103 0.000 0.925 1190 T HN 0.110 nan 8.240 nan 0.000 0.498 1191 T N 2.451 116.838 114.554 -0.279 0.000 2.881 1191 T HA 0.221 4.568 4.350 -0.004 0.000 0.270 1191 T C 1.156 175.487 174.700 -0.616 0.000 1.068 1191 T CA 0.803 62.711 62.100 -0.320 0.000 1.131 1191 T CB -0.609 68.176 68.868 -0.138 0.000 0.871 1191 T HN 0.693 nan 8.240 nan 0.000 0.479 1192 A N 2.170 124.373 122.820 -1.028 0.000 2.476 1192 A HA 0.236 4.554 4.320 -0.004 0.000 0.275 1192 A C 0.350 177.596 177.584 -0.564 0.000 1.133 1192 A CA -0.062 51.288 52.037 -1.144 0.000 0.797 1192 A CB -0.209 17.931 19.000 -1.433 0.000 1.081 1192 A HN 0.329 nan 8.150 nan 0.000 0.510 1193 K N 2.449 122.581 120.400 -0.447 0.000 2.383 1193 K HA 0.207 4.525 4.320 -0.004 0.000 0.286 1193 K C -0.509 175.923 176.600 -0.281 0.000 1.051 1193 K CA 0.234 56.344 56.287 -0.295 0.000 0.974 1193 K CB 0.110 32.469 32.500 -0.235 0.000 0.968 1193 K HN 0.760 nan 8.250 nan 0.000 0.475 1194 D N 3.370 123.645 120.400 -0.207 0.000 3.076 1194 D HA -0.182 4.456 4.640 -0.004 0.000 0.218 1194 D C -0.989 175.201 176.300 -0.183 0.000 1.156 1194 D CA 1.160 55.057 54.000 -0.172 0.000 0.921 1194 D CB -0.991 39.710 40.800 -0.165 0.000 1.113 1194 D HN 0.829 nan 8.370 nan 0.000 0.418 1195 K N -1.637 118.650 120.400 -0.189 0.000 3.244 1195 K HA -0.306 4.011 4.320 -0.004 0.000 0.270 1195 K C 0.643 177.068 176.600 -0.292 0.000 1.016 1195 K CA 1.278 57.498 56.287 -0.113 0.000 0.754 1195 K CB -1.936 30.542 32.500 -0.037 0.000 1.326 1195 K HN 0.791 nan 8.250 nan 0.000 0.465 1196 N N -0.945 117.563 118.700 -0.320 0.000 2.228 1196 N HA -0.049 4.689 4.740 -0.004 0.000 0.299 1196 N C -0.301 175.094 175.510 -0.191 0.000 0.829 1196 N CA -0.499 52.396 53.050 -0.258 0.000 0.772 1196 N CB 0.519 38.861 38.487 -0.242 0.000 2.041 1196 N HN 0.279 nan 8.380 nan 0.000 1.019 1197 R N -0.444 119.782 120.500 -0.457 0.000 2.686 1197 R HA 0.329 4.667 4.340 -0.004 0.000 0.286 1197 R C -1.306 174.824 176.300 -0.283 0.000 0.969 1197 R CA -0.817 55.028 56.100 -0.424 0.000 0.898 1197 R CB 1.219 30.715 30.300 -1.340 0.000 1.183 1197 R HN 0.139 nan 8.270 nan 0.000 0.456 1198 W N 4.014 125.196 121.300 -0.198 0.000 1.714 1198 W HA 0.127 4.785 4.660 -0.004 0.000 0.363 1198 W C -0.194 176.301 176.519 -0.040 0.000 0.724 1198 W CA -0.363 56.930 57.345 -0.086 0.000 1.804 1198 W CB 0.455 29.911 29.460 -0.006 0.000 1.900 1198 W HN 0.759 nan 8.180 nan 0.000 0.296 1199 E N 0.326 120.536 120.200 0.016 0.000 2.369 1199 E HA 0.296 4.643 4.350 -0.004 0.000 0.255 1199 E C -0.394 176.252 176.600 0.077 0.000 1.172 1199 E CA -0.166 56.258 56.400 0.040 0.000 0.932 1199 E CB 1.173 30.842 29.700 -0.051 0.000 1.040 1199 E HN -0.062 nan 8.360 nan 0.000 0.454 1200 D N -0.060 120.396 120.400 0.094 0.000 2.602 1200 D HA 0.282 4.920 4.640 -0.004 0.000 0.236 1200 D C -2.577 173.764 176.300 0.067 0.000 1.209 1200 D CA -1.497 52.557 54.000 0.090 0.000 0.831 1200 D CB 1.914 42.797 40.800 0.138 0.000 1.478 1200 D HN 0.363 nan 8.370 nan 0.000 0.438 1201 P HA 0.342 nan 4.420 nan 0.000 0.281 1201 P C 0.367 177.692 177.300 0.041 0.000 1.286 1201 P CA 0.227 63.347 63.100 0.033 0.000 0.772 1201 P CB 1.165 32.877 31.700 0.021 0.000 0.862 1202 G N 4.436 113.251 108.800 0.026 0.000 2.344 1202 G HA2 -0.142 3.816 3.960 -0.004 0.000 0.215 1202 G HA3 -0.142 3.816 3.960 -0.004 0.000 0.215 1202 G C -0.882 174.004 174.900 -0.023 0.000 1.293 1202 G CA -0.697 44.409 45.100 0.011 0.000 1.305 1202 G HN 0.513 nan 8.290 nan 0.000 0.484 1203 K N 1.485 121.846 120.400 -0.065 0.000 2.297 1203 K HA 0.474 4.792 4.320 -0.004 0.000 0.286 1203 K C 0.941 177.420 176.600 -0.200 0.000 1.053 1203 K CA -0.044 56.116 56.287 -0.213 0.000 0.940 1203 K CB 1.350 33.559 32.500 -0.485 0.000 1.019 1203 K HN 0.504 nan 8.250 nan 0.000 0.475 1204 Q N 1.973 121.678 119.800 -0.158 0.000 2.403 1204 Q HA 0.042 4.379 4.340 -0.004 0.000 0.203 1204 Q C 1.112 177.027 176.000 -0.141 0.000 0.932 1204 Q CA 0.375 56.129 55.803 -0.082 0.000 0.945 1204 Q CB 0.156 28.868 28.738 -0.043 0.000 1.045 1204 Q HN 0.602 nan 8.270 nan 0.000 0.511 1205 L N -0.794 120.268 121.223 -0.269 0.000 2.179 1205 L HA -0.113 4.225 4.340 -0.004 0.000 0.208 1205 L C 1.477 178.322 176.870 -0.042 0.000 1.096 1205 L CA 0.800 55.475 54.840 -0.275 0.000 0.779 1205 L CB -0.298 41.588 42.059 -0.288 0.000 0.922 1205 L HN 0.257 nan 8.230 nan 0.000 0.443 1206 Y N 0.216 120.516 120.300 0.000 0.000 2.439 1206 Y HA -0.108 4.440 4.550 -0.004 0.000 0.292 1206 Y C 2.374 178.376 175.900 0.169 0.000 1.130 1206 Y CA 0.161 58.293 58.100 0.054 0.000 1.254 1206 Y CB -1.014 37.418 38.460 -0.048 0.000 1.000 1206 Y HN 0.266 nan 8.280 nan 0.000 0.554 1207 N N -0.170 118.688 118.700 0.263 0.000 2.106 1207 N HA -0.118 4.620 4.740 -0.004 0.000 0.188 1207 N C 1.991 177.706 175.510 0.343 0.000 1.029 1207 N CA 1.375 54.591 53.050 0.277 0.000 0.848 1207 N CB -0.790 37.834 38.487 0.228 0.000 1.007 1207 N HN 0.173 nan 8.380 nan 0.000 0.423 1208 V N 1.349 121.426 119.914 0.271 0.000 2.626 1208 V HA -0.128 3.989 4.120 -0.004 0.000 0.252 1208 V C 2.293 178.528 176.094 0.233 0.000 1.067 1208 V CA 1.313 63.759 62.300 0.244 0.000 1.081 1208 V CB -0.457 31.336 31.823 -0.050 0.000 0.686 1208 V HN 0.377 nan 8.190 nan 0.000 0.468 1209 E N 0.635 120.999 120.200 0.273 0.000 2.072 1209 E HA -0.183 4.165 4.350 -0.004 0.000 0.190 1209 E C 2.272 179.107 176.600 0.391 0.000 0.982 1209 E CA 1.231 57.840 56.400 0.348 0.000 0.803 1209 E CB -0.176 29.813 29.700 0.480 0.000 0.755 1209 E HN 0.541 nan 8.360 nan 0.000 0.453 1210 A N 0.330 123.393 122.820 0.406 0.000 1.933 1210 A HA -0.154 4.163 4.320 -0.004 0.000 0.218 1210 A C 2.340 179.990 177.584 0.110 0.000 1.175 1210 A CA 2.002 54.192 52.037 0.256 0.000 0.628 1210 A CB -0.832 18.371 19.000 0.339 0.000 0.814 1210 A HN 0.333 nan 8.150 nan 0.000 0.444 1211 T N -0.280 114.389 114.554 0.191 0.000 2.857 1211 T HA -0.056 4.292 4.350 -0.004 0.000 0.266 1211 T C 2.199 176.908 174.700 0.015 0.000 1.048 1211 T CA 1.508 63.675 62.100 0.113 0.000 1.139 1211 T CB -0.193 68.900 68.868 0.374 0.000 0.874 1211 T HN 0.462 nan 8.240 nan 0.000 0.455 1212 S N 0.405 116.144 115.700 0.065 0.000 2.387 1212 S HA -0.020 4.447 4.470 -0.004 0.000 0.226 1212 S C 1.699 176.219 174.600 -0.133 0.000 1.026 1212 S CA 0.655 58.837 58.200 -0.031 0.000 0.972 1212 S CB -0.419 62.760 63.200 -0.035 0.000 0.814 1212 S HN 0.469 nan 8.310 nan 0.000 0.477 1213 Y N 1.942 122.171 120.300 -0.118 0.000 2.165 1213 Y HA -0.172 4.376 4.550 -0.004 0.000 0.286 1213 Y C 2.639 178.375 175.900 -0.275 0.000 1.155 1213 Y CA 0.877 58.846 58.100 -0.218 0.000 1.164 1213 Y CB -0.737 37.646 38.460 -0.127 0.000 0.978 1213 Y HN 0.280 nan 8.280 nan 0.000 0.513 1214 A N -0.813 121.943 122.820 -0.107 0.000 1.969 1214 A HA -0.153 4.165 4.320 -0.004 0.000 0.218 1214 A C 2.142 179.701 177.584 -0.041 0.000 1.169 1214 A CA 1.439 53.374 52.037 -0.171 0.000 0.635 1214 A CB -0.937 17.486 19.000 -0.962 0.000 0.810 1214 A HN 0.418 nan 8.150 nan 0.000 0.445 1215 L N -0.454 120.723 121.223 -0.077 0.000 2.093 1215 L HA -0.009 4.329 4.340 -0.004 0.000 0.208 1215 L C 2.199 179.059 176.870 -0.017 0.000 1.085 1215 L CA 1.382 56.226 54.840 0.007 0.000 0.755 1215 L CB -0.412 41.647 42.059 -0.000 0.000 0.904 1215 L HN 0.388 nan 8.230 nan 0.000 0.435 1216 L N -1.029 120.086 121.223 -0.180 0.000 2.131 1216 L HA -0.171 4.167 4.340 -0.004 0.000 0.210 1216 L C 2.552 179.359 176.870 -0.104 0.000 1.092 1216 L CA 1.000 55.653 54.840 -0.312 0.000 0.759 1216 L CB -0.694 40.806 42.059 -0.932 0.000 0.903 1216 L HN 0.360 nan 8.230 nan 0.000 0.435 1217 A N -0.057 122.754 122.820 -0.014 0.000 1.872 1217 A HA -0.129 4.189 4.320 -0.004 0.000 0.214 1217 A C 2.188 179.822 177.584 0.083 0.000 1.187 1217 A CA 1.169 53.280 52.037 0.123 0.000 0.614 1217 A CB -0.601 18.357 19.000 -0.069 0.000 0.826 1217 A HN 0.333 nan 8.150 nan 0.000 0.442 1218 L N -0.579 120.735 121.223 0.152 0.000 2.201 1218 L HA -0.128 4.210 4.340 -0.004 0.000 0.212 1218 L C 2.422 179.325 176.870 0.055 0.000 1.105 1218 L CA 0.682 55.624 54.840 0.169 0.000 0.775 1218 L CB -0.347 41.875 42.059 0.273 0.000 0.913 1218 L HN 0.369 nan 8.230 nan 0.000 0.440 1219 L N -1.067 120.197 121.223 0.069 0.000 2.109 1219 L HA -0.196 4.142 4.340 -0.004 0.000 0.207 1219 L C 2.571 179.445 176.870 0.006 0.000 1.086 1219 L CA 0.838 55.706 54.840 0.048 0.000 0.760 1219 L CB -0.226 41.900 42.059 0.112 0.000 0.910 1219 L HN 0.246 nan 8.230 nan 0.000 0.437 1220 Q N 0.164 119.990 119.800 0.043 0.000 2.123 1220 Q HA -0.114 4.224 4.340 -0.004 0.000 0.199 1220 Q C 2.184 178.168 176.000 -0.027 0.000 0.966 1220 Q CA 1.293 57.116 55.803 0.034 0.000 0.845 1220 Q CB -0.098 28.690 28.738 0.083 0.000 0.907 1220 Q HN 0.413 nan 8.270 nan 0.000 0.439 1221 L N 0.297 121.492 121.223 -0.047 0.000 2.191 1221 L HA -0.137 4.201 4.340 -0.004 0.000 0.212 1221 L C 0.408 177.200 176.870 -0.129 0.000 1.103 1221 L CA 1.025 55.821 54.840 -0.072 0.000 0.769 1221 L CB -0.189 41.843 42.059 -0.046 0.000 0.908 1221 L HN 0.257 nan 8.230 nan 0.000 0.438 1222 K N -0.194 120.052 120.400 -0.256 0.000 3.117 1222 K HA -0.231 4.086 4.320 -0.004 0.000 0.269 1222 K C -0.200 176.091 176.600 -0.515 0.000 1.098 1222 K CA 0.793 56.779 56.287 -0.502 0.000 0.785 1222 K CB -1.592 30.800 32.500 -0.179 0.000 1.242 1222 K HN 0.251 nan 8.250 nan 0.000 0.491 1223 D N 0.100 120.267 120.400 -0.389 0.000 2.499 1223 D HA 0.219 4.856 4.640 -0.004 0.000 0.225 1223 D C 0.211 176.432 176.300 -0.131 0.000 1.124 1223 D CA -0.543 53.364 54.000 -0.155 0.000 0.938 1223 D CB 0.145 40.947 40.800 0.002 0.000 1.014 1223 D HN 0.085 nan 8.370 nan 0.000 0.517 1224 F N 0.951 120.976 119.950 0.126 0.000 2.804 1224 F HA 0.096 4.620 4.527 -0.004 0.000 0.303 1224 F C 1.730 177.603 175.800 0.122 0.000 1.154 1224 F CA -0.028 58.044 58.000 0.121 0.000 1.401 1224 F CB 0.097 39.146 39.000 0.082 0.000 1.106 1224 F HN 0.322 nan 8.300 nan 0.000 0.568 1225 D N -0.409 120.145 120.400 0.256 0.000 2.120 1225 D HA -0.149 4.489 4.640 -0.004 0.000 0.202 1225 D C 1.715 178.150 176.300 0.224 0.000 0.972 1225 D CA 1.255 55.384 54.000 0.215 0.000 0.837 1225 D CB -0.256 40.662 40.800 0.196 0.000 0.989 1225 D HN 0.309 nan 8.370 nan 0.000 0.469 1226 F N 0.857 120.874 119.950 0.112 0.000 2.765 1226 F HA 0.023 4.548 4.527 -0.004 0.000 0.302 1226 F C 1.793 177.676 175.800 0.139 0.000 1.111 1226 F CA -0.035 58.031 58.000 0.109 0.000 1.359 1226 F CB 0.440 39.508 39.000 0.112 0.000 1.097 1226 F HN -0.269 nan 8.300 nan 0.000 0.577 1227 V N 1.333 121.388 119.914 0.236 0.000 2.283 1227 V HA -0.139 3.979 4.120 -0.004 0.000 0.243 1227 V C -0.374 175.801 176.094 0.135 0.000 1.039 1227 V CA 1.584 64.024 62.300 0.234 0.000 1.016 1227 V CB -1.689 30.342 31.823 0.347 0.000 0.650 1227 V HN 0.154 nan 8.190 nan 0.000 0.449 1228 P HA -0.095 nan 4.420 nan 0.000 0.215 1228 P C -1.371 175.914 177.300 -0.026 0.000 1.157 1228 P CA 1.864 64.997 63.100 0.055 0.000 0.868 1228 P CB -1.343 30.386 31.700 0.049 0.000 0.788 1229 P HA -0.090 nan 4.420 nan 0.000 0.218 1229 P C 1.556 178.818 177.300 -0.064 0.000 1.149 1229 P CA 0.983 64.001 63.100 -0.137 0.000 0.817 1229 P CB -0.447 31.064 31.700 -0.314 0.000 0.785 1230 V N -0.499 119.389 119.914 -0.043 0.000 2.307 1230 V HA -0.166 3.952 4.120 -0.004 0.000 0.245 1230 V C 2.435 178.598 176.094 0.115 0.000 1.045 1230 V CA 1.702 64.064 62.300 0.104 0.000 1.024 1230 V CB -1.173 30.764 31.823 0.189 0.000 0.651 1230 V HN -0.039 nan 8.190 nan 0.000 0.449 1231 V N 0.018 119.922 119.914 -0.017 0.000 2.548 1231 V HA -0.179 3.939 4.120 -0.004 0.000 0.249 1231 V C 2.504 178.545 176.094 -0.088 0.000 1.055 1231 V CA 1.953 64.165 62.300 -0.147 0.000 1.065 1231 V CB -0.858 30.695 31.823 -0.451 0.000 0.681 1231 V HN 0.469 nan 8.190 nan 0.000 0.462 1232 R N -0.921 119.563 120.500 -0.027 0.000 2.096 1232 R HA -0.248 4.089 4.340 -0.004 0.000 0.235 1232 R C 2.138 178.464 176.300 0.043 0.000 1.127 1232 R CA 2.189 58.286 56.100 -0.004 0.000 0.968 1232 R CB -0.336 29.969 30.300 0.008 0.000 0.861 1232 R HN 0.648 nan 8.270 nan 0.000 0.440 1233 W N 0.930 122.184 121.300 -0.077 0.000 2.381 1233 W HA -0.089 4.569 4.660 -0.004 0.000 0.301 1233 W C 1.433 177.912 176.519 -0.067 0.000 1.205 1233 W CA 1.118 58.427 57.345 -0.061 0.000 1.285 1233 W CB -0.261 29.174 29.460 -0.042 0.000 1.133 1233 W HN 0.028 nan 8.180 nan 0.000 0.521 1234 L N 0.957 122.087 121.223 -0.155 0.000 2.131 1234 L HA -0.248 4.090 4.340 -0.004 0.000 0.210 1234 L C 2.045 178.700 176.870 -0.358 0.000 1.092 1234 L CA 1.344 55.962 54.840 -0.370 0.000 0.759 1234 L CB -0.993 40.955 42.059 -0.185 0.000 0.903 1234 L HN -0.007 nan 8.230 nan 0.000 0.435 1235 N N 0.143 118.699 118.700 -0.239 0.000 2.309 1235 N HA -0.141 4.597 4.740 -0.004 0.000 0.182 1235 N C 1.275 176.665 175.510 -0.200 0.000 1.018 1235 N CA 0.965 53.901 53.050 -0.189 0.000 0.876 1235 N CB -0.024 38.395 38.487 -0.115 0.000 0.972 1235 N HN 0.413 nan 8.380 nan 0.000 0.434 1236 E N -0.197 119.857 120.200 -0.243 0.000 2.437 1236 E HA 0.077 4.424 4.350 -0.004 0.000 0.189 1236 E C 0.985 177.375 176.600 -0.350 0.000 1.054 1236 E CA -0.027 56.238 56.400 -0.225 0.000 0.874 1236 E CB 0.351 29.973 29.700 -0.130 0.000 1.011 1236 E HN 0.312 nan 8.360 nan 0.000 0.474 1237 Q N 0.034 119.535 119.800 -0.498 0.000 2.387 1237 Q HA 0.128 4.466 4.340 -0.004 0.000 0.212 1237 Q C 0.356 176.137 176.000 -0.366 0.000 0.925 1237 Q CA 0.188 55.686 55.803 -0.508 0.000 0.901 1237 Q CB 0.481 28.764 28.738 -0.759 0.000 1.020 1237 Q HN 0.152 nan 8.270 nan 0.000 0.545 1238 R N 0.475 120.738 120.500 -0.395 0.000 3.416 1238 R HA -0.226 4.111 4.340 -0.004 0.000 0.263 1238 R C -0.768 175.020 176.300 -0.853 0.000 1.053 1238 R CA 0.202 55.967 56.100 -0.558 0.000 0.705 1238 R CB -2.210 27.837 30.300 -0.421 0.000 1.124 1238 R HN 0.195 nan 8.270 nan 0.000 0.444 1239 Y N 0.856 120.793 120.300 -0.605 0.000 2.624 1239 Y HA 0.017 4.565 4.550 -0.004 0.000 0.354 1239 Y C 0.521 176.266 175.900 -0.259 0.000 1.051 1239 Y CA -0.289 57.567 58.100 -0.406 0.000 1.377 1239 Y CB 0.038 38.355 38.460 -0.238 0.000 1.168 1239 Y HN 0.078 nan 8.280 nan 0.000 0.525 1240 Y N 4.083 124.254 120.300 -0.214 0.000 2.529 1240 Y HA 0.241 4.789 4.550 -0.004 0.000 0.290 1240 Y C 1.651 177.484 175.900 -0.112 0.000 1.177 1240 Y CA 0.111 58.195 58.100 -0.027 0.000 1.305 1240 Y CB -0.559 37.968 38.460 0.111 0.000 1.047 1240 Y HN 0.846 nan 8.280 nan 0.000 0.522 1241 G N -0.278 108.196 108.800 -0.543 0.000 2.593 1241 G HA2 0.144 4.102 3.960 -0.004 0.000 0.237 1241 G HA3 0.144 4.102 3.960 -0.004 0.000 0.237 1241 G C 0.502 175.346 174.900 -0.093 0.000 1.312 1241 G CA -0.290 44.584 45.100 -0.377 0.000 0.896 1241 G HN 1.174 nan 8.290 nan 0.000 0.574 1242 G N -1.813 107.018 108.800 0.052 0.000 2.601 1242 G HA2 0.410 4.368 3.960 -0.004 0.000 0.261 1242 G HA3 0.410 4.368 3.960 -0.004 0.000 0.261 1242 G C 1.447 176.417 174.900 0.117 0.000 1.289 1242 G CA 1.731 46.915 45.100 0.141 0.000 0.920 1242 G HN 3.273 nan 8.290 nan 0.000 0.571 1243 G N -1.455 107.417 108.800 0.119 0.000 2.779 1243 G HA2 0.203 4.161 3.960 -0.004 0.000 0.284 1243 G HA3 0.203 4.161 3.960 -0.004 0.000 0.284 1243 G C 0.286 175.326 174.900 0.233 0.000 1.326 1243 G CA 1.703 46.880 45.100 0.128 0.000 0.983 1243 G HN 2.550 nan 8.290 nan 0.000 0.555 1244 Y N 0.493 120.839 120.300 0.078 0.000 2.480 1244 Y HA 0.495 5.043 4.550 -0.004 0.000 0.329 1244 Y C 0.611 176.565 175.900 0.091 0.000 1.127 1244 Y CA 0.800 58.947 58.100 0.078 0.000 1.037 1244 Y CB 1.386 39.882 38.460 0.060 0.000 1.320 1244 Y HN 2.419 nan 8.280 nan 0.000 0.446 1245 G N 2.851 111.264 108.800 -0.646 0.000 2.249 1245 G HA2 -0.274 3.684 3.960 -0.004 0.000 0.273 1245 G HA3 -0.274 3.684 3.960 -0.004 0.000 0.273 1245 G C 0.336 175.182 174.900 -0.090 0.000 1.036 1245 G CA 0.839 45.675 45.100 -0.439 0.000 0.824 1245 G HN 1.509 nan 8.290 nan 0.000 0.504 1246 S N -1.981 113.730 115.700 0.017 0.000 2.663 1246 S HA 0.311 4.778 4.470 -0.004 0.000 0.243 1246 S C 1.695 176.410 174.600 0.192 0.000 1.009 1246 S CA 1.013 59.318 58.200 0.174 0.000 0.988 1246 S CB 0.474 63.827 63.200 0.255 0.000 0.896 1246 S HN 0.308 nan 8.310 nan 0.000 0.502 1247 T N 3.029 117.657 114.554 0.124 0.000 2.607 1247 T HA -0.155 4.193 4.350 -0.004 0.000 0.267 1247 T C 1.874 176.737 174.700 0.272 0.000 1.049 1247 T CA 1.805 64.007 62.100 0.170 0.000 1.162 1247 T CB -0.292 68.619 68.868 0.071 0.000 0.863 1247 T HN 0.373 nan 8.240 nan 0.000 0.424 1248 Q N 0.491 120.439 119.800 0.246 0.000 2.172 1248 Q HA 0.182 4.520 4.340 -0.004 0.000 0.200 1248 Q C 2.652 178.868 176.000 0.360 0.000 0.964 1248 Q CA 1.185 57.196 55.803 0.346 0.000 0.855 1248 Q CB -0.619 28.336 28.738 0.361 0.000 0.918 1248 Q HN 0.576 nan 8.270 nan 0.000 0.444 1249 A N 0.440 123.456 122.820 0.327 0.000 2.015 1249 A HA -0.109 4.209 4.320 -0.004 0.000 0.219 1249 A C 2.176 180.003 177.584 0.405 0.000 1.163 1249 A CA 1.711 53.950 52.037 0.337 0.000 0.646 1249 A CB -0.406 18.782 19.000 0.314 0.000 0.806 1249 A HN 0.337 nan 8.150 nan 0.000 0.448 1250 T N -1.341 113.449 114.554 0.395 0.000 2.781 1250 T HA -0.002 4.345 4.350 -0.004 0.000 0.252 1250 T C 1.626 176.551 174.700 0.374 0.000 1.039 1250 T CA 1.193 63.518 62.100 0.375 0.000 1.147 1250 T CB -0.408 68.606 68.868 0.244 0.000 0.865 1250 T HN 0.405 nan 8.240 nan 0.000 0.423 1251 F N 1.655 121.741 119.950 0.227 0.000 2.126 1251 F HA -0.110 4.415 4.527 -0.004 0.000 0.299 1251 F C 2.103 177.971 175.800 0.115 0.000 1.096 1251 F CA 1.259 59.369 58.000 0.184 0.000 1.255 1251 F CB -0.203 38.951 39.000 0.258 0.000 0.997 1251 F HN 0.012 nan 8.300 nan 0.000 0.479 1252 M N -1.292 118.486 119.600 0.297 0.000 2.334 1252 M HA -0.013 4.464 4.480 -0.004 0.000 0.266 1252 M C 2.346 178.631 176.300 -0.025 0.000 1.082 1252 M CA 0.757 56.081 55.300 0.040 0.000 1.141 1252 M CB -1.292 31.224 32.600 -0.139 0.000 1.380 1252 M HN 0.148 nan 8.290 nan 0.000 0.440 1253 V N -0.316 119.623 119.914 0.041 0.000 2.591 1253 V HA -0.160 3.958 4.120 -0.004 0.000 0.249 1253 V C 1.732 177.693 176.094 -0.222 0.000 1.053 1253 V CA 1.521 63.765 62.300 -0.094 0.000 1.068 1253 V CB -0.308 31.446 31.823 -0.114 0.000 0.689 1253 V HN 0.261 nan 8.190 nan 0.000 0.462 1254 F N -0.447 119.462 119.950 -0.068 0.000 2.754 1254 F HA 0.130 4.655 4.527 -0.004 0.000 0.297 1254 F C 2.273 178.099 175.800 0.044 0.000 1.122 1254 F CA 1.031 58.985 58.000 -0.077 0.000 1.400 1254 F CB 0.060 38.938 39.000 -0.202 0.000 1.117 1254 F HN 0.183 nan 8.300 nan 0.000 0.587 1255 Q N 0.387 120.228 119.800 0.070 0.000 2.089 1255 Q HA -0.052 4.285 4.340 -0.004 0.000 0.195 1255 Q C 2.389 178.427 176.000 0.064 0.000 0.963 1255 Q CA 1.171 56.987 55.803 0.021 0.000 0.834 1255 Q CB -0.085 28.535 28.738 -0.198 0.000 0.906 1255 Q HN 0.317 nan 8.270 nan 0.000 0.452 1256 A N 0.799 123.609 122.820 -0.016 0.000 1.930 1256 A HA -0.089 4.229 4.320 -0.004 0.000 0.217 1256 A C 1.920 179.538 177.584 0.058 0.000 1.175 1256 A CA 0.959 52.981 52.037 -0.025 0.000 0.627 1256 A CB -0.479 18.462 19.000 -0.099 0.000 0.815 1256 A HN 0.426 nan 8.150 nan 0.000 0.443 1257 L N -1.186 120.068 121.223 0.051 0.000 2.492 1257 L HA 0.050 4.388 4.340 -0.004 0.000 0.223 1257 L C 2.697 179.717 176.870 0.251 0.000 1.132 1257 L CA 0.510 55.417 54.840 0.112 0.000 0.850 1257 L CB -0.204 41.849 42.059 -0.009 0.000 0.966 1257 L HN 0.419 nan 8.230 nan 0.000 0.454 1258 A N -0.467 122.499 122.820 0.244 0.000 1.911 1258 A HA -0.145 4.173 4.320 -0.004 0.000 0.212 1258 A C 2.171 179.792 177.584 0.061 0.000 1.189 1258 A CA 0.711 52.818 52.037 0.116 0.000 0.639 1258 A CB -0.182 18.938 19.000 0.200 0.000 0.839 1258 A HN 0.292 nan 8.150 nan 0.000 0.449 1259 Q N -1.841 118.039 119.800 0.133 0.000 2.369 1259 Q HA -0.102 4.236 4.340 -0.004 0.000 0.206 1259 Q C 1.568 177.640 176.000 0.121 0.000 0.963 1259 Q CA 1.253 57.124 55.803 0.114 0.000 0.894 1259 Q CB -0.450 28.361 28.738 0.122 0.000 0.965 1259 Q HN 0.783 nan 8.270 nan 0.000 0.475 1260 Y N -0.004 120.315 120.300 0.031 0.000 2.200 1260 Y HA -0.191 4.357 4.550 -0.004 0.000 0.290 1260 Y C 1.847 177.759 175.900 0.020 0.000 1.137 1260 Y CA 1.507 59.632 58.100 0.041 0.000 1.163 1260 Y CB 0.174 38.657 38.460 0.039 0.000 0.988 1260 Y HN 0.092 nan 8.280 nan 0.000 0.518 1261 Q N 0.721 120.499 119.800 -0.037 0.000 2.224 1261 Q HA -0.143 4.195 4.340 -0.004 0.000 0.203 1261 Q C 1.992 177.896 176.000 -0.159 0.000 0.970 1261 Q CA 1.296 57.007 55.803 -0.154 0.000 0.865 1261 Q CB -0.122 28.554 28.738 -0.102 0.000 0.922 1261 Q HN 0.572 nan 8.270 nan 0.000 0.445 1262 K N 0.709 121.049 120.400 -0.100 0.000 1.965 1262 K HA -0.136 4.182 4.320 -0.004 0.000 0.214 1262 K C 1.516 178.077 176.600 -0.065 0.000 1.042 1262 K CA 1.665 57.911 56.287 -0.069 0.000 0.950 1262 K CB -0.058 32.427 32.500 -0.025 0.000 0.733 1262 K HN 0.103 nan 8.250 nan 0.000 0.441 1263 D N 0.421 120.803 120.400 -0.029 0.000 2.347 1263 D HA 0.027 4.665 4.640 -0.004 0.000 0.215 1263 D C -0.018 176.293 176.300 0.018 0.000 0.976 1263 D CA 0.186 54.211 54.000 0.041 0.000 0.884 1263 D CB 0.089 40.961 40.800 0.118 0.000 0.915 1263 D HN 0.220 nan 8.370 nan 0.000 0.526 1264 A N 1.672 124.381 122.820 -0.185 0.000 2.520 1264 A HA 0.265 4.582 4.320 -0.004 0.000 0.245 1264 A C -2.089 175.318 177.584 -0.295 0.000 1.072 1264 A CA -1.055 50.778 52.037 -0.340 0.000 0.761 1264 A CB -0.091 18.428 19.000 -0.801 0.000 1.004 1264 A HN -0.048 nan 8.150 nan 0.000 0.499 1265 P HA -0.036 nan 4.420 nan 0.000 0.259 1265 P C -0.223 176.952 177.300 -0.208 0.000 1.163 1265 P CA 0.545 63.449 63.100 -0.326 0.000 0.760 1265 P CB 0.452 31.907 31.700 -0.409 0.000 0.762 1266 D N 0.839 121.160 120.400 -0.132 0.000 2.117 1266 D HA -0.090 4.547 4.640 -0.004 0.000 0.198 1266 D C 0.338 176.473 176.300 -0.275 0.000 0.982 1266 D CA 1.676 55.591 54.000 -0.142 0.000 0.828 1266 D CB -0.047 40.740 40.800 -0.022 0.000 0.967 1266 D HN 0.522 nan 8.370 nan 0.000 0.464 1267 H N -0.075 119.038 119.070 0.070 0.000 2.934 1267 H HA 0.171 4.725 4.556 -0.004 0.000 0.340 1267 H C 0.395 175.788 175.328 0.109 0.000 1.008 1267 H CA -0.355 55.820 56.048 0.212 0.000 1.317 1267 H CB 2.065 31.951 29.762 0.206 0.000 1.670 1267 H HN -0.050 nan 8.280 nan 0.000 0.516 1268 Q N 2.173 122.070 119.800 0.161 0.000 1.967 1268 Q HA 0.037 4.375 4.340 -0.004 0.000 0.196 1268 Q C -0.273 175.698 176.000 -0.049 0.000 0.978 1268 Q CA 1.057 56.835 55.803 -0.042 0.000 0.833 1268 Q CB 0.736 29.385 28.738 -0.149 0.000 0.898 1268 Q HN 0.751 nan 8.270 nan 0.000 0.446 1269 E N -0.713 119.486 120.200 -0.001 0.000 2.440 1269 E HA 0.450 4.798 4.350 -0.004 0.000 0.263 1269 E C -0.837 175.799 176.600 0.061 0.000 0.938 1269 E CA -0.653 55.794 56.400 0.078 0.000 0.831 1269 E CB 1.278 31.027 29.700 0.082 0.000 1.456 1269 E HN 0.108 nan 8.360 nan 0.000 0.427 1270 L N 1.470 122.761 121.223 0.113 0.000 2.783 1270 L HA 0.301 4.639 4.340 -0.004 0.000 0.265 1270 L C -0.120 176.747 176.870 -0.005 0.000 1.398 1270 L CA -0.334 54.548 54.840 0.070 0.000 0.802 1270 L CB 0.416 42.565 42.059 0.150 0.000 1.126 1270 L HN 0.393 nan 8.230 nan 0.000 0.529 1271 N N 2.156 120.831 118.700 -0.041 0.000 3.298 1271 N HA 0.261 4.998 4.740 -0.004 0.000 0.292 1271 N C -0.701 174.742 175.510 -0.113 0.000 1.271 1271 N CA -0.081 52.878 53.050 -0.152 0.000 1.184 1271 N CB 0.209 38.656 38.487 -0.066 0.000 1.452 1271 N HN 0.381 nan 8.380 nan 0.000 0.534 1272 L N 1.119 122.279 121.223 -0.105 0.000 2.276 1272 L HA 0.284 4.622 4.340 -0.004 0.000 0.286 1272 L C -0.010 176.832 176.870 -0.046 0.000 1.061 1272 L CA -0.558 54.253 54.840 -0.049 0.000 0.807 1272 L CB 0.943 42.991 42.059 -0.018 0.000 1.177 1272 L HN 0.049 nan 8.230 nan 0.000 0.429 1273 D N 2.727 123.118 120.400 -0.015 0.000 2.557 1273 D HA 0.196 4.834 4.640 -0.004 0.000 0.236 1273 D C -0.460 175.857 176.300 0.029 0.000 1.154 1273 D CA -0.027 53.978 54.000 0.008 0.000 0.985 1273 D CB 0.905 41.712 40.800 0.012 0.000 1.010 1273 D HN 0.038 nan 8.370 nan 0.000 0.516 1274 V N 1.758 121.700 119.914 0.046 0.000 2.405 1274 V HA 0.166 4.284 4.120 -0.004 0.000 0.264 1274 V C 0.455 176.598 176.094 0.081 0.000 1.048 1274 V CA -0.184 62.153 62.300 0.061 0.000 0.966 1274 V CB 0.864 32.723 31.823 0.060 0.000 1.015 1274 V HN 0.299 nan 8.190 nan 0.000 0.477 1275 S N 6.726 122.464 115.700 0.064 0.000 2.474 1275 S HA 0.565 5.032 4.470 -0.004 0.000 0.320 1275 S C -0.399 174.243 174.600 0.069 0.000 1.067 1275 S CA -0.479 57.757 58.200 0.060 0.000 1.127 1275 S CB 0.553 63.778 63.200 0.041 0.000 0.971 1275 S HN 0.464 nan 8.310 nan 0.000 0.472 1276 L N 3.484 124.751 121.223 0.074 0.000 2.260 1276 L HA 0.438 4.775 4.340 -0.004 0.000 0.289 1276 L C 0.378 177.272 176.870 0.040 0.000 1.057 1276 L CA 0.174 55.050 54.840 0.060 0.000 0.811 1276 L CB 0.743 42.801 42.059 -0.002 0.000 1.184 1276 L HN 0.572 nan 8.230 nan 0.000 0.429 1277 Q N 3.583 123.430 119.800 0.078 0.000 2.425 1277 Q HA 0.517 4.855 4.340 -0.004 0.000 0.254 1277 Q C -1.445 174.623 176.000 0.112 0.000 1.032 1277 Q CA -0.736 55.109 55.803 0.070 0.000 0.798 1277 Q CB 0.911 29.689 28.738 0.067 0.000 1.210 1277 Q HN 0.484 nan 8.270 nan 0.000 0.491 1278 L N 6.585 127.847 121.223 0.064 0.000 2.292 1278 L HA 0.367 4.704 4.340 -0.004 0.000 0.284 1278 L C -1.464 175.454 176.870 0.080 0.000 1.065 1278 L CA -1.505 53.397 54.840 0.103 0.000 0.806 1278 L CB 0.908 42.971 42.059 0.007 0.000 1.175 1278 L HN 0.558 nan 8.230 nan 0.000 0.431 1279 P HA -0.109 nan 4.420 nan 0.000 0.223 1279 P C 1.478 178.805 177.300 0.044 0.000 1.151 1279 P CA 0.761 63.897 63.100 0.059 0.000 0.787 1279 P CB 0.473 32.207 31.700 0.057 0.000 0.788 1280 S N -0.559 115.171 115.700 0.049 0.000 2.368 1280 S HA -0.116 4.351 4.470 -0.004 0.000 0.224 1280 S C 1.311 175.923 174.600 0.019 0.000 1.029 1280 S CA 0.250 58.469 58.200 0.032 0.000 0.988 1280 S CB -0.532 62.689 63.200 0.035 0.000 0.838 1280 S HN 0.054 nan 8.310 nan 0.000 0.462 1281 R N 0.252 120.763 120.500 0.017 0.000 2.615 1281 R HA 0.287 4.624 4.340 -0.004 0.000 0.270 1281 R C 1.230 177.536 176.300 0.009 0.000 1.081 1281 R CA 0.404 56.507 56.100 0.006 0.000 1.154 1281 R CB 0.613 30.911 30.300 -0.004 0.000 1.063 1281 R HN 0.187 nan 8.270 nan 0.000 0.519 1282 S N 0.137 115.839 115.700 0.004 0.000 2.362 1282 S HA 0.021 4.489 4.470 -0.004 0.000 0.221 1282 S C 0.075 174.678 174.600 0.004 0.000 1.032 1282 S CA 0.632 58.834 58.200 0.004 0.000 0.973 1282 S CB 0.277 63.478 63.200 0.001 0.000 0.849 1282 S HN 0.636 nan 8.310 nan 0.000 0.465 1283 S N 0.869 116.569 115.700 -0.000 0.000 2.621 1283 S HA 0.451 4.919 4.470 -0.004 0.000 0.302 1283 S C -0.280 174.319 174.600 -0.002 0.000 1.093 1283 S CA -0.883 57.316 58.200 -0.002 0.000 1.017 1283 S CB 1.573 64.767 63.200 -0.009 0.000 1.077 1283 S HN 0.198 nan 8.310 nan 0.000 0.517 1284 K N 0.735 121.135 120.400 0.000 0.000 2.156 1284 K HA 0.318 4.636 4.320 -0.004 0.000 0.242 1284 K C -0.561 176.031 176.600 -0.013 0.000 1.033 1284 K CA -0.145 56.144 56.287 0.003 0.000 0.878 1284 K CB 0.199 32.705 32.500 0.009 0.000 1.057 1284 K HN 0.356 nan 8.250 nan 0.000 0.505 1285 I N 2.134 122.700 120.570 -0.006 0.000 2.641 1285 I HA 0.057 4.225 4.170 -0.004 0.000 0.275 1285 I C -0.498 175.598 176.117 -0.035 0.000 1.129 1285 I CA -0.312 60.959 61.300 -0.048 0.000 1.094 1285 I CB 0.815 38.806 38.000 -0.014 0.000 1.232 1285 I HN 0.472 nan 8.210 nan 0.000 0.503 1286 T N 4.446 118.964 114.554 -0.059 0.000 3.162 1286 T HA 0.108 4.456 4.350 -0.004 0.000 0.264 1286 T C 0.526 175.194 174.700 -0.054 0.000 0.959 1286 T CA 0.133 62.221 62.100 -0.020 0.000 1.118 1286 T CB -0.739 68.122 68.868 -0.012 0.000 0.979 1286 T HN 0.193 nan 8.240 nan 0.000 0.679 1287 H N 3.519 122.591 119.070 0.002 0.000 2.899 1287 H HA 0.170 4.723 4.556 -0.004 0.000 0.303 1287 H C 0.917 176.249 175.328 0.006 0.000 1.042 1287 H CA 0.156 56.207 56.048 0.005 0.000 1.479 1287 H CB 0.640 30.401 29.762 -0.001 0.000 1.493 1287 H HN 0.347 nan 8.280 nan 0.000 0.534 1288 R N 3.065 123.630 120.500 0.108 0.000 2.539 1288 R HA 0.401 4.739 4.340 -0.004 0.000 0.275 1288 R C 0.014 176.352 176.300 0.064 0.000 1.077 1288 R CA -0.250 55.897 56.100 0.077 0.000 1.097 1288 R CB 0.861 31.253 30.300 0.152 0.000 1.018 1288 R HN 0.507 nan 8.270 nan 0.000 0.483 1289 I N 2.349 122.864 120.570 -0.092 0.000 2.533 1289 I HA 0.344 4.511 4.170 -0.004 0.000 0.290 1289 I C -0.597 175.326 176.117 -0.322 0.000 1.056 1289 I CA -0.688 60.562 61.300 -0.083 0.000 1.057 1289 I CB 1.917 39.894 38.000 -0.038 0.000 1.240 1289 I HN 0.470 nan 8.210 nan 0.000 0.423 1290 H N 4.728 123.842 119.070 0.073 0.000 2.947 1290 H HA 0.076 4.630 4.556 -0.004 0.000 0.354 1290 H C -1.491 173.912 175.328 0.126 0.000 1.085 1290 H CA -0.591 55.509 56.048 0.087 0.000 1.253 1290 H CB 2.765 32.545 29.762 0.030 0.000 1.757 1290 H HN 0.711 nan 8.280 nan 0.000 0.523 1291 W N 5.292 126.670 121.300 0.130 0.000 2.598 1291 W HA 0.129 4.787 4.660 -0.004 0.000 0.396 1291 W C -0.546 176.051 176.519 0.131 0.000 1.142 1291 W CA 0.808 58.227 57.345 0.123 0.000 1.568 1291 W CB -0.031 29.500 29.460 0.119 0.000 1.637 1291 W HN 0.916 nan 8.180 nan 0.000 0.417 1292 E N 1.526 121.518 120.200 -0.347 0.000 1.920 1292 E HA -0.116 4.232 4.350 -0.004 0.000 0.250 1292 E C 0.318 176.712 176.600 -0.345 0.000 1.075 1292 E CA 0.105 56.240 56.400 -0.442 0.000 1.683 1292 E CB -0.222 29.279 29.700 -0.331 0.000 3.768 1292 E HN 0.161 nan 8.360 nan 0.000 0.959 1293 S N 1.058 116.639 115.700 -0.198 0.000 2.498 1293 S HA 0.341 4.809 4.470 -0.004 0.000 0.281 1293 S C 0.873 175.365 174.600 -0.179 0.000 1.265 1293 S CA 0.227 58.341 58.200 -0.143 0.000 1.071 1293 S CB 1.432 64.600 63.200 -0.053 0.000 0.894 1293 S HN 0.373 nan 8.310 nan 0.000 0.491 1294 A N 3.295 126.013 122.820 -0.170 0.000 2.255 1294 A HA 0.122 4.439 4.320 -0.004 0.000 0.206 1294 A C 2.023 179.551 177.584 -0.094 0.000 1.193 1294 A CA 0.643 52.579 52.037 -0.169 0.000 0.794 1294 A CB -0.952 17.970 19.000 -0.131 0.000 0.794 1294 A HN 1.082 nan 8.150 nan 0.000 0.481 1295 S N -0.364 115.299 115.700 -0.063 0.000 2.370 1295 S HA 0.160 4.627 4.470 -0.004 0.000 0.214 1295 S C 0.820 175.420 174.600 0.000 0.000 1.033 1295 S CA 0.566 58.752 58.200 -0.023 0.000 0.941 1295 S CB -0.794 62.398 63.200 -0.012 0.000 0.886 1295 S HN 0.750 nan 8.310 nan 0.000 0.521 1296 L N 1.655 122.885 121.223 0.012 0.000 3.677 1296 L HA -0.102 4.236 4.340 -0.004 0.000 0.464 1296 L C -0.518 176.373 176.870 0.034 0.000 1.278 1296 L CA 0.043 54.911 54.840 0.047 0.000 0.806 1296 L CB -1.491 40.628 42.059 0.100 0.000 1.610 1296 L HN 0.624 nan 8.230 nan 0.000 0.867 1297 L N -0.459 120.772 121.223 0.013 0.000 2.643 1297 L HA 0.684 5.022 4.340 -0.004 0.000 0.256 1297 L C -0.803 176.053 176.870 -0.023 0.000 0.931 1297 L CA -0.699 54.139 54.840 -0.003 0.000 0.895 1297 L CB 1.536 43.597 42.059 0.003 0.000 1.430 1297 L HN 0.135 nan 8.230 nan 0.000 0.419 1298 R N 1.508 121.974 120.500 -0.058 0.000 2.846 1298 R HA 0.874 5.212 4.340 -0.004 0.000 0.263 1298 R C -1.517 174.727 176.300 -0.093 0.000 1.080 1298 R CA -0.778 55.267 56.100 -0.092 0.000 0.961 1298 R CB 2.037 32.210 30.300 -0.210 0.000 1.231 1298 R HN 0.504 nan 8.270 nan 0.000 0.465 1299 S N -0.284 115.360 115.700 -0.093 0.000 2.605 1299 S HA 0.299 4.766 4.470 -0.004 0.000 0.279 1299 S C -1.429 173.136 174.600 -0.057 0.000 1.166 1299 S CA -0.782 57.377 58.200 -0.069 0.000 0.975 1299 S CB 0.753 63.933 63.200 -0.033 0.000 1.111 1299 S HN 0.510 nan 8.310 nan 0.000 0.465 1300 E N 2.032 122.190 120.200 -0.071 0.000 2.267 1300 E HA 0.518 4.866 4.350 -0.004 0.000 0.258 1300 E C -0.945 175.631 176.600 -0.039 0.000 1.074 1300 E CA -0.833 55.536 56.400 -0.052 0.000 0.915 1300 E CB 0.847 30.495 29.700 -0.087 0.000 1.186 1300 E HN 0.599 nan 8.360 nan 0.000 0.439 1301 E N 0.638 120.820 120.200 -0.030 0.000 2.580 1301 E HA 0.207 4.554 4.350 -0.004 0.000 0.248 1301 E C -1.439 175.153 176.600 -0.015 0.000 1.018 1301 E CA -0.206 56.185 56.400 -0.014 0.000 0.775 1301 E CB 1.566 31.266 29.700 -0.001 0.000 1.378 1301 E HN 0.192 nan 8.360 nan 0.000 0.401 1302 T N 2.261 116.806 114.554 -0.016 0.000 2.918 1302 T HA 0.134 4.482 4.350 -0.004 0.000 0.302 1302 T C 1.107 175.817 174.700 0.016 0.000 1.045 1302 T CA -0.475 61.621 62.100 -0.007 0.000 1.114 1302 T CB 0.884 69.755 68.868 0.005 0.000 0.965 1302 T HN 0.194 nan 8.240 nan 0.000 0.540 1303 K N 0.878 121.288 120.400 0.017 0.000 2.365 1303 K HA 0.243 4.560 4.320 -0.004 0.000 0.195 1303 K C 0.570 177.186 176.600 0.028 0.000 1.079 1303 K CA 0.416 56.716 56.287 0.022 0.000 0.979 1303 K CB 0.657 33.166 32.500 0.013 0.000 0.929 1303 K HN 0.631 nan 8.250 nan 0.000 0.523 1304 E N 1.330 121.549 120.200 0.033 0.000 2.272 1304 E HA 0.159 4.507 4.350 -0.004 0.000 0.269 1304 E C -1.188 175.444 176.600 0.055 0.000 0.877 1304 E CA -0.568 55.853 56.400 0.036 0.000 0.755 1304 E CB 1.310 31.026 29.700 0.028 0.000 1.192 1304 E HN -0.166 nan 8.360 nan 0.000 0.422 1305 N N 3.594 122.321 118.700 0.046 0.000 2.406 1305 N HA 0.002 4.740 4.740 -0.004 0.000 0.269 1305 N C -1.307 174.238 175.510 0.059 0.000 1.210 1305 N CA 0.520 53.603 53.050 0.054 0.000 0.966 1305 N CB 0.258 38.756 38.487 0.018 0.000 1.293 1305 N HN 0.334 nan 8.380 nan 0.000 0.491 1306 E N 0.855 121.123 120.200 0.113 0.000 2.312 1306 E HA 0.429 4.776 4.350 -0.004 0.000 0.267 1306 E C -0.238 176.435 176.600 0.122 0.000 0.894 1306 E CA -1.007 55.460 56.400 0.112 0.000 0.773 1306 E CB 1.616 31.396 29.700 0.132 0.000 1.241 1306 E HN 0.507 nan 8.360 nan 0.000 0.432 1307 G N 1.839 110.648 108.800 0.016 0.000 2.338 1307 G HA2 0.493 4.450 3.960 -0.004 0.000 0.295 1307 G HA3 0.493 4.450 3.960 -0.004 0.000 0.295 1307 G C -0.606 174.267 174.900 -0.044 0.000 1.132 1307 G CA -0.310 44.709 45.100 -0.134 0.000 0.922 1307 G HN 0.267 nan 8.290 nan 0.000 0.427 1308 F N 0.107 120.059 119.950 0.003 0.000 2.563 1308 F HA 0.747 5.271 4.527 -0.004 0.000 0.316 1308 F C 0.117 175.922 175.800 0.008 0.000 1.076 1308 F CA -1.465 56.540 58.000 0.007 0.000 0.921 1308 F CB 1.054 40.061 39.000 0.011 0.000 1.209 1308 F HN 0.267 nan 8.300 nan 0.000 0.462 1309 T N 1.537 116.224 114.554 0.221 0.000 2.913 1309 T HA 0.563 4.910 4.350 -0.004 0.000 0.287 1309 T C -0.496 174.335 174.700 0.217 0.000 1.008 1309 T CA -0.499 61.688 62.100 0.144 0.000 1.067 1309 T CB 1.547 70.468 68.868 0.088 0.000 0.996 1309 T HN 0.563 nan 8.240 nan 0.000 0.513 1310 V N 3.049 123.055 119.914 0.155 0.000 2.558 1310 V HA 0.239 4.356 4.120 -0.004 0.000 0.261 1310 V C -0.043 176.101 176.094 0.084 0.000 0.958 1310 V CA -0.837 61.549 62.300 0.144 0.000 0.852 1310 V CB 1.031 32.963 31.823 0.183 0.000 1.067 1310 V HN 1.007 nan 8.190 nan 0.000 0.468 1311 T N 4.060 118.655 114.554 0.069 0.000 2.728 1311 T HA 0.674 5.021 4.350 -0.004 0.000 0.296 1311 T C 0.633 175.359 174.700 0.043 0.000 0.940 1311 T CA 0.148 62.277 62.100 0.049 0.000 1.013 1311 T CB 1.541 70.434 68.868 0.042 0.000 0.912 1311 T HN 0.767 nan 8.240 nan 0.000 0.484 1312 A N 3.079 125.920 122.820 0.035 0.000 2.249 1312 A HA 0.698 5.016 4.320 -0.004 0.000 0.281 1312 A C 0.246 177.844 177.584 0.023 0.000 1.127 1312 A CA -0.533 51.521 52.037 0.029 0.000 0.833 1312 A CB 0.476 19.490 19.000 0.024 0.000 1.140 1312 A HN 0.809 nan 8.150 nan 0.000 0.502 1313 E N -1.079 119.132 120.200 0.017 0.000 2.558 1313 E HA 0.439 4.787 4.350 -0.004 0.000 0.345 1313 E C -0.579 176.027 176.600 0.010 0.000 0.928 1313 E CA 0.290 56.699 56.400 0.016 0.000 0.774 1313 E CB 0.527 30.238 29.700 0.017 0.000 1.462 1313 E HN 2.203 nan 8.360 nan 0.000 0.387 1314 G N 3.692 112.501 108.800 0.014 0.000 3.396 1314 G HA2 -0.164 3.793 3.960 -0.004 0.000 0.682 1314 G HA3 -0.164 3.793 3.960 -0.004 0.000 0.682 1314 G C -0.570 174.336 174.900 0.011 0.000 0.924 1314 G CA 0.099 45.209 45.100 0.016 0.000 0.770 1314 G HN 0.682 nan 8.290 nan 0.000 0.484 1315 K N -0.747 119.663 120.400 0.017 0.000 2.672 1315 K HA 0.320 4.638 4.320 -0.004 0.000 0.595 1315 K C 1.553 178.156 176.600 0.006 0.000 2.575 1315 K CA 2.404 58.700 56.287 0.014 0.000 1.990 1315 K CB -0.852 31.660 32.500 0.019 0.000 2.751 1315 K HN 2.885 nan 8.250 nan 0.000 0.150 1316 G N 0.006 108.806 108.800 0.001 0.000 2.508 1316 G HA2 -0.041 3.917 3.960 -0.004 0.000 0.220 1316 G HA3 -0.041 3.917 3.960 -0.004 0.000 0.220 1316 G C -1.013 173.884 174.900 -0.005 0.000 1.287 1316 G CA 0.495 45.593 45.100 -0.004 0.000 0.916 1316 G HN 0.957 nan 8.290 nan 0.000 0.574 1317 Q N -1.102 118.700 119.800 0.003 0.000 2.594 1317 Q HA 0.589 4.927 4.340 -0.004 0.000 0.278 1317 Q C -0.599 175.412 176.000 0.019 0.000 0.961 1317 Q CA -0.001 55.805 55.803 0.005 0.000 0.844 1317 Q CB 1.598 30.331 28.738 -0.008 0.000 1.475 1317 Q HN 2.502 nan 8.270 nan 0.000 0.389 1318 G N 0.999 109.810 108.800 0.019 0.000 2.556 1318 G HA2 0.402 4.360 3.960 -0.004 0.000 0.294 1318 G HA3 0.402 4.360 3.960 -0.004 0.000 0.294 1318 G C -1.074 173.839 174.900 0.021 0.000 1.516 1318 G CA -0.416 44.699 45.100 0.025 0.000 0.824 1318 G HN 0.472 nan 8.290 nan 0.000 0.535 1319 T N 0.017 114.584 114.554 0.022 0.000 2.766 1319 T HA 0.514 4.861 4.350 -0.004 0.000 0.295 1319 T C -0.279 174.432 174.700 0.019 0.000 1.024 1319 T CA 0.167 62.279 62.100 0.020 0.000 1.018 1319 T CB 1.212 70.092 68.868 0.020 0.000 1.002 1319 T HN 0.940 nan 8.240 nan 0.000 0.532 1320 L N 2.420 123.656 121.223 0.022 0.000 2.422 1320 L HA 0.317 4.655 4.340 -0.004 0.000 0.263 1320 L C -0.049 176.843 176.870 0.037 0.000 1.372 1320 L CA -0.224 54.633 54.840 0.028 0.000 0.857 1320 L CB 0.404 42.484 42.059 0.034 0.000 1.024 1320 L HN 0.787 nan 8.230 nan 0.000 0.507 1321 S N 1.005 116.725 115.700 0.034 0.000 2.693 1321 S HA 0.895 5.363 4.470 -0.004 0.000 0.276 1321 S C -0.234 174.403 174.600 0.061 0.000 1.192 1321 S CA -0.699 57.525 58.200 0.040 0.000 0.994 1321 S CB 2.209 65.427 63.200 0.030 0.000 1.012 1321 S HN 0.234 nan 8.310 nan 0.000 0.550 1322 V N 1.409 121.364 119.914 0.068 0.000 2.516 1322 V HA 0.308 4.426 4.120 -0.004 0.000 0.271 1322 V C -1.029 175.112 176.094 0.078 0.000 0.992 1322 V CA -0.630 61.730 62.300 0.100 0.000 0.857 1322 V CB 1.225 33.129 31.823 0.135 0.000 1.047 1322 V HN 0.766 nan 8.190 nan 0.000 0.455 1323 V N 4.151 124.106 119.914 0.068 0.000 2.275 1323 V HA 0.345 4.463 4.120 -0.004 0.000 0.272 1323 V C 0.956 177.092 176.094 0.071 0.000 1.028 1323 V CA -0.239 62.098 62.300 0.062 0.000 0.810 1323 V CB 1.501 33.351 31.823 0.046 0.000 1.043 1323 V HN 0.939 nan 8.190 nan 0.000 0.453 1324 T N 2.064 116.668 114.554 0.084 0.000 2.698 1324 T HA 0.669 5.017 4.350 -0.004 0.000 0.295 1324 T C -0.281 174.493 174.700 0.124 0.000 1.007 1324 T CA -0.516 61.642 62.100 0.097 0.000 0.980 1324 T CB 1.354 70.275 68.868 0.089 0.000 1.036 1324 T HN 0.452 nan 8.240 nan 0.000 0.526 1325 M N 2.073 121.765 119.600 0.154 0.000 2.265 1325 M HA 0.472 4.949 4.480 -0.004 0.000 0.262 1325 M C -1.748 174.685 176.300 0.221 0.000 1.026 1325 M CA -0.679 54.715 55.300 0.156 0.000 0.987 1325 M CB 1.348 33.990 32.600 0.071 0.000 1.937 1325 M HN 0.923 nan 8.290 nan 0.000 0.481 1326 Y N 0.255 120.563 120.300 0.013 0.000 2.790 1326 Y HA 0.727 5.275 4.550 -0.004 0.000 0.323 1326 Y C -1.339 174.563 175.900 0.002 0.000 1.230 1326 Y CA -1.086 57.062 58.100 0.078 0.000 1.121 1326 Y CB 1.416 39.918 38.460 0.071 0.000 1.328 1326 Y HN 0.536 nan 8.280 nan 0.000 0.514 1327 H N 0.815 119.857 119.070 -0.046 0.000 2.547 1327 H HA 0.716 5.270 4.556 -0.004 0.000 0.342 1327 H C -0.720 174.581 175.328 -0.044 0.000 1.048 1327 H CA -0.724 55.231 56.048 -0.154 0.000 1.204 1327 H CB 2.010 31.757 29.762 -0.025 0.000 1.493 1327 H HN 0.968 nan 8.280 nan 0.000 0.511 1328 A N 3.392 126.165 122.820 -0.078 0.000 2.298 1328 A HA 0.358 4.676 4.320 -0.004 0.000 0.302 1328 A C 0.381 178.022 177.584 0.095 0.000 1.177 1328 A CA -0.693 51.407 52.037 0.105 0.000 0.912 1328 A CB 0.843 19.869 19.000 0.043 0.000 1.331 1328 A HN 0.640 nan 8.150 nan 0.000 0.504 1329 K N -1.374 119.084 120.400 0.096 0.000 2.132 1329 K HA 0.384 4.702 4.320 -0.004 0.000 0.240 1329 K C 1.306 177.935 176.600 0.047 0.000 1.036 1329 K CA 0.320 56.648 56.287 0.068 0.000 0.888 1329 K CB 0.681 33.219 32.500 0.063 0.000 1.071 1329 K HN 0.657 nan 8.250 nan 0.000 0.502 1330 A N 1.314 124.159 122.820 0.042 0.000 1.840 1330 A HA -0.029 4.288 4.320 -0.004 0.000 0.214 1330 A C -0.139 177.461 177.584 0.027 0.000 1.198 1330 A CA 1.050 53.107 52.037 0.034 0.000 0.608 1330 A CB -0.196 18.826 19.000 0.037 0.000 0.839 1330 A HN 0.794 nan 8.150 nan 0.000 0.443 1331 K N -1.017 119.401 120.400 0.029 0.000 7.055 1331 K HA -0.124 4.194 4.320 -0.004 0.000 0.623 1331 K C -1.816 174.799 176.600 0.024 0.000 2.571 1331 K CA 0.668 56.970 56.287 0.025 0.000 1.982 1331 K CB -0.413 32.099 32.500 0.020 0.000 2.344 1331 K HN 0.492 nan 8.250 nan 0.000 0.202 1332 D N 3.614 124.029 120.400 0.024 0.000 2.671 1332 D HA 0.047 4.685 4.640 -0.004 0.000 0.228 1332 D C 0.249 176.562 176.300 0.021 0.000 1.102 1332 D CA 0.687 54.702 54.000 0.025 0.000 1.044 1332 D CB 0.271 41.086 40.800 0.024 0.000 1.113 1332 D HN 0.289 nan 8.370 nan 0.000 0.480 1333 Q N 1.565 121.377 119.800 0.021 0.000 2.330 1333 Q HA 0.092 4.429 4.340 -0.004 0.000 0.290 1333 Q C 0.075 176.087 176.000 0.020 0.000 0.805 1333 Q CA -0.027 55.786 55.803 0.018 0.000 1.054 1333 Q CB 0.293 29.037 28.738 0.010 0.000 1.367 1333 Q HN 0.440 nan 8.270 nan 0.000 0.387 1334 L N -2.014 119.225 121.223 0.027 0.000 2.350 1334 L HA 0.421 4.759 4.340 -0.004 0.000 0.209 1334 L C 1.709 178.601 176.870 0.037 0.000 1.215 1334 L CA 0.541 55.400 54.840 0.032 0.000 2.667 1334 L CB -1.858 40.223 42.059 0.037 0.000 2.466 1334 L HN 0.320 nan 8.230 nan 0.000 1.095 1335 T N -0.903 113.678 114.554 0.046 0.000 2.773 1335 T HA -0.432 3.916 4.350 -0.004 0.000 0.100 1335 T C 0.600 175.332 174.700 0.053 0.000 1.738 1335 T CA 1.338 63.470 62.100 0.054 0.000 0.777 1335 T CB -2.417 66.484 68.868 0.056 0.000 0.867 1335 T HN 0.702 nan 8.240 nan 0.000 0.395 1336 c N 3.506 122.139 118.600 0.054 0.000 2.364 1336 c HA 0.460 5.028 4.570 -0.004 0.000 0.405 1336 c C 2.177 176.295 174.090 0.046 0.000 1.122 1336 c CA -0.390 55.980 56.329 0.067 0.000 1.601 1336 c CB -1.455 41.102 42.510 0.079 0.000 1.601 1336 c HN 0.816 nan 8.230 nan 0.000 0.509 1337 N N 1.833 120.556 118.700 0.037 0.000 2.149 1337 N HA -0.176 4.561 4.740 -0.004 0.000 0.188 1337 N C 1.234 176.719 175.510 -0.041 0.000 1.019 1337 N CA 1.488 54.540 53.050 0.004 0.000 0.857 1337 N CB 0.080 38.574 38.487 0.012 0.000 0.997 1337 N HN 0.487 nan 8.380 nan 0.000 0.426 1338 K N -1.240 119.162 120.400 0.003 0.000 2.391 1338 K HA 0.251 4.569 4.320 -0.004 0.000 0.197 1338 K C -0.331 176.120 176.600 -0.249 0.000 1.087 1338 K CA -0.025 56.194 56.287 -0.113 0.000 1.012 1338 K CB 0.707 33.261 32.500 0.090 0.000 0.925 1338 K HN 0.104 nan 8.250 nan 0.000 0.547 1339 F N 0.785 120.709 119.950 -0.044 0.000 2.588 1339 F HA 0.305 4.829 4.527 -0.004 0.000 0.314 1339 F C -0.374 175.393 175.800 -0.056 0.000 1.069 1339 F CA -1.092 56.894 58.000 -0.022 0.000 0.931 1339 F CB 1.807 40.839 39.000 0.054 0.000 1.260 1339 F HN -0.266 nan 8.300 nan 0.000 0.465 1340 D N 2.445 122.918 120.400 0.122 0.000 2.256 1340 D HA 0.491 5.128 4.640 -0.004 0.000 0.240 1340 D C -1.336 175.048 176.300 0.140 0.000 1.062 1340 D CA -0.154 53.901 54.000 0.092 0.000 0.832 1340 D CB 2.081 42.911 40.800 0.051 0.000 1.135 1340 D HN 0.206 nan 8.370 nan 0.000 0.484 1341 L N 2.286 123.569 121.223 0.100 0.000 2.410 1341 L HA 0.479 4.817 4.340 -0.004 0.000 0.270 1341 L C -1.255 175.643 176.870 0.046 0.000 0.983 1341 L CA -0.477 54.403 54.840 0.067 0.000 0.822 1341 L CB 1.554 43.635 42.059 0.036 0.000 1.285 1341 L HN 0.192 nan 8.230 nan 0.000 0.409 1342 K N 4.282 124.701 120.400 0.031 0.000 2.578 1342 K HA 0.749 5.066 4.320 -0.004 0.000 0.250 1342 K C -1.666 174.928 176.600 -0.010 0.000 0.955 1342 K CA -0.527 55.773 56.287 0.021 0.000 0.825 1342 K CB 2.406 34.922 32.500 0.028 0.000 1.151 1342 K HN 0.327 nan 8.250 nan 0.000 0.432 1343 V N 1.717 121.622 119.914 -0.015 0.000 2.588 1343 V HA 0.591 4.708 4.120 -0.004 0.000 0.304 1343 V C -0.375 175.686 176.094 -0.055 0.000 1.042 1343 V CA -0.792 61.467 62.300 -0.068 0.000 0.877 1343 V CB 1.866 33.646 31.823 -0.071 0.000 0.996 1343 V HN 0.925 nan 8.190 nan 0.000 0.425 1344 T N 2.027 116.512 114.554 -0.115 0.000 2.900 1344 T HA 0.828 5.176 4.350 -0.004 0.000 0.295 1344 T C -1.166 173.445 174.700 -0.148 0.000 1.044 1344 T CA -0.649 61.401 62.100 -0.083 0.000 0.995 1344 T CB 1.998 70.830 68.868 -0.060 0.000 1.072 1344 T HN 0.502 nan 8.240 nan 0.000 0.473 1345 I N 1.577 122.099 120.570 -0.080 0.000 2.466 1345 I HA 0.748 4.916 4.170 -0.004 0.000 0.289 1345 I C -1.013 175.069 176.117 -0.057 0.000 1.026 1345 I CA -0.537 60.707 61.300 -0.094 0.000 1.078 1345 I CB 1.622 39.621 38.000 -0.001 0.000 1.249 1345 I HN 0.813 nan 8.210 nan 0.000 0.429 1346 K N 7.083 127.447 120.400 -0.061 0.000 2.480 1346 K HA 0.722 5.039 4.320 -0.004 0.000 0.258 1346 K C -2.696 173.897 176.600 -0.012 0.000 0.990 1346 K CA -1.602 54.665 56.287 -0.032 0.000 0.857 1346 K CB 1.593 34.075 32.500 -0.030 0.000 1.384 1346 K HN 0.243 nan 8.250 nan 0.000 0.446 1347 P HA 0.186 nan 4.420 nan 0.000 0.274 1347 P C -1.189 176.131 177.300 0.032 0.000 1.246 1347 P CA -0.476 62.642 63.100 0.031 0.000 0.795 1347 P CB 0.745 32.462 31.700 0.029 0.000 1.006 1348 A N 1.778 124.630 122.820 0.053 0.000 2.242 1348 A HA 0.685 5.003 4.320 -0.004 0.000 0.304 1348 A C -1.880 175.730 177.584 0.043 0.000 1.100 1348 A CA -0.889 51.181 52.037 0.055 0.000 0.860 1348 A CB -1.605 17.449 19.000 0.090 0.000 1.168 1348 A HN 0.460 nan 8.150 nan 0.000 0.503 1349 P HA 0.274 nan 4.420 nan 0.000 0.307 1349 P C -0.346 176.972 177.300 0.030 0.000 1.306 1349 P CA -0.750 62.368 63.100 0.031 0.000 0.742 1349 P CB 0.132 31.849 31.700 0.029 0.000 1.349 1350 E N -0.532 119.681 120.200 0.022 0.000 2.413 1350 E HA 0.191 4.539 4.350 -0.004 0.000 0.263 1350 E C -0.694 175.916 176.600 0.016 0.000 1.015 1350 E CA 0.513 56.923 56.400 0.017 0.000 0.916 1350 E CB 0.150 29.857 29.700 0.012 0.000 0.947 1350 E HN 0.298 nan 8.360 nan 0.000 0.440 1360 N N 0.553 119.250 118.700 -0.005 0.000 2.488 1360 N HA 0.287 5.025 4.740 -0.004 0.000 0.274 1360 N C -1.351 174.226 175.510 0.112 0.000 1.111 1360 N CA 0.512 53.590 53.050 0.046 0.000 0.974 1360 N CB 0.890 39.399 38.487 0.036 0.000 1.089 1360 N HN 0.462 nan 8.380 nan 0.000 0.465 1361 T N 0.897 115.567 114.554 0.193 0.000 2.900 1361 T HA 0.590 4.938 4.350 -0.004 0.000 0.303 1361 T C -0.614 174.229 174.700 0.239 0.000 1.142 1361 T CA -0.842 61.438 62.100 0.300 0.000 1.007 1361 T CB 1.645 70.757 68.868 0.406 0.000 1.156 1361 T HN 0.381 nan 8.240 nan 0.000 0.490 1362 M N 1.629 121.359 119.600 0.216 0.000 2.716 1362 M HA 0.535 5.012 4.480 -0.004 0.000 0.278 1362 M C -1.506 174.795 176.300 0.003 0.000 1.281 1362 M CA -1.193 54.168 55.300 0.102 0.000 0.814 1362 M CB 2.411 35.065 32.600 0.090 0.000 1.719 1362 M HN 0.455 nan 8.290 nan 0.000 0.457 1363 I N 2.964 123.497 120.570 -0.062 0.000 2.464 1363 I HA 0.295 4.462 4.170 -0.004 0.000 0.277 1363 I C -0.754 175.214 176.117 -0.249 0.000 1.040 1363 I CA -0.632 60.585 61.300 -0.138 0.000 1.153 1363 I CB 0.696 38.646 38.000 -0.084 0.000 1.274 1363 I HN 0.466 nan 8.210 nan 0.000 0.469 1364 L N 6.569 127.528 121.223 -0.440 0.000 2.410 1364 L HA 0.311 4.649 4.340 -0.004 0.000 0.273 1364 L C 0.229 176.761 176.870 -0.563 0.000 1.152 1364 L CA 0.628 55.091 54.840 -0.629 0.000 0.855 1364 L CB 0.407 41.876 42.059 -0.983 0.000 1.129 1364 L HN 0.678 nan 8.230 nan 0.000 0.463 1365 E N 5.623 125.586 120.200 -0.396 0.000 2.241 1365 E HA 0.428 4.776 4.350 -0.004 0.000 0.263 1365 E C -1.498 174.980 176.600 -0.204 0.000 0.882 1365 E CA -0.568 55.682 56.400 -0.250 0.000 0.769 1365 E CB 1.107 30.717 29.700 -0.150 0.000 1.185 1365 E HN 0.673 nan 8.360 nan 0.000 0.415 1366 I N 4.082 124.566 120.570 -0.143 0.000 2.354 1366 I HA 0.381 4.549 4.170 -0.004 0.000 0.292 1366 I C -0.658 175.441 176.117 -0.031 0.000 0.989 1366 I CA -0.876 60.371 61.300 -0.088 0.000 1.188 1366 I CB 1.462 39.426 38.000 -0.060 0.000 1.342 1366 I HN 0.520 nan 8.210 nan 0.000 0.457 1367 c N 4.161 122.753 118.600 -0.013 0.000 2.364 1367 c HA 0.692 5.260 4.570 -0.004 0.000 0.324 1367 c C 0.276 174.396 174.090 0.051 0.000 1.234 1367 c CA -0.371 55.971 56.329 0.022 0.000 1.417 1367 c CB 1.407 43.929 42.510 0.020 0.000 2.101 1367 c HN 0.805 nan 8.230 nan 0.000 0.466 1368 T N 3.815 118.418 114.554 0.082 0.000 2.916 1368 T HA 0.734 5.082 4.350 -0.004 0.000 0.305 1368 T C -1.140 173.667 174.700 0.178 0.000 1.119 1368 T CA -0.426 61.755 62.100 0.136 0.000 1.008 1368 T CB 1.195 70.144 68.868 0.135 0.000 1.129 1368 T HN 0.821 nan 8.240 nan 0.000 0.480 1369 R N 1.645 122.269 120.500 0.207 0.000 2.739 1369 R HA 0.420 4.758 4.340 -0.004 0.000 0.271 1369 R C -1.420 174.896 176.300 0.028 0.000 1.010 1369 R CA -0.791 55.423 56.100 0.191 0.000 0.897 1369 R CB 1.621 32.059 30.300 0.230 0.000 1.236 1369 R HN 0.655 nan 8.270 nan 0.000 0.466 1370 Y N 1.243 121.380 120.300 -0.272 0.000 2.220 1370 Y HA 0.229 4.776 4.550 -0.004 0.000 0.347 1370 Y C -0.115 175.395 175.900 -0.651 0.000 1.311 1370 Y CA 0.122 57.791 58.100 -0.719 0.000 1.593 1370 Y CB 0.694 38.840 38.460 -0.523 0.000 1.419 1370 Y HN 0.345 nan 8.280 nan 0.000 0.614 1371 R N 1.095 120.895 120.500 -1.166 0.000 2.388 1371 R HA 0.526 4.863 4.340 -0.004 0.000 0.314 1371 R C -1.075 174.874 176.300 -0.585 0.000 0.959 1371 R CA -0.094 55.506 56.100 -0.833 0.000 0.851 1371 R CB 0.968 30.872 30.300 -0.661 0.000 1.168 1371 R HN 0.961 nan 8.270 nan 0.000 0.472 1372 G N 2.385 111.073 108.800 -0.186 0.000 3.187 1372 G HA2 -0.182 3.775 3.960 -0.004 0.000 0.682 1372 G HA3 -0.182 3.775 3.960 -0.004 0.000 0.682 1372 G C -1.020 173.912 174.900 0.054 0.000 1.266 1372 G CA -1.048 44.014 45.100 -0.063 0.000 0.902 1372 G HN 0.627 nan 8.290 nan 0.000 0.589 1373 D N 2.053 122.494 120.400 0.069 0.000 2.598 1373 D HA 0.314 4.952 4.640 -0.004 0.000 0.231 1373 D C 0.732 177.079 176.300 0.079 0.000 1.127 1373 D CA 0.725 54.771 54.000 0.077 0.000 1.126 1373 D CB -0.064 40.758 40.800 0.037 0.000 1.124 1373 D HN 0.592 nan 8.370 nan 0.000 0.485 1374 Q N 1.494 121.365 119.800 0.119 0.000 3.088 1374 Q HA 0.139 4.476 4.340 -0.004 0.000 0.205 1374 Q C -1.280 174.819 176.000 0.165 0.000 0.782 1374 Q CA -0.755 55.120 55.803 0.120 0.000 0.897 1374 Q CB -0.534 28.270 28.738 0.109 0.000 1.495 1374 Q HN -0.015 nan 8.270 nan 0.000 0.459 1375 D N 2.560 123.029 120.400 0.115 0.000 2.752 1375 D HA 0.153 4.791 4.640 -0.004 0.000 0.225 1375 D C 0.303 176.618 176.300 0.025 0.000 1.104 1375 D CA 1.153 55.206 54.000 0.088 0.000 0.832 1375 D CB 0.590 41.427 40.800 0.062 0.000 1.161 1375 D HN 0.662 nan 8.370 nan 0.000 0.505 1376 A N 2.824 125.576 122.820 -0.114 0.000 2.407 1376 A HA 0.458 4.776 4.320 -0.004 0.000 0.248 1376 A C 0.640 178.182 177.584 -0.071 0.000 1.082 1376 A CA -0.489 51.334 52.037 -0.358 0.000 0.785 1376 A CB 0.266 18.728 19.000 -0.896 0.000 1.020 1376 A HN 0.575 nan 8.150 nan 0.000 0.489 1377 T N 0.102 114.673 114.554 0.029 0.000 2.767 1377 T HA 0.504 4.851 4.350 -0.004 0.000 0.288 1377 T C 0.008 174.837 174.700 0.214 0.000 0.963 1377 T CA -0.151 62.024 62.100 0.125 0.000 1.019 1377 T CB 0.144 69.113 68.868 0.169 0.000 0.923 1377 T HN 1.229 nan 8.240 nan 0.000 0.468 1378 M N 2.830 122.517 119.600 0.144 0.000 4.037 1378 M HA -0.155 4.322 4.480 -0.004 0.000 0.157 1378 M C -0.630 175.780 176.300 0.183 0.000 1.531 1378 M CA 0.672 56.060 55.300 0.146 0.000 1.094 1378 M CB -1.109 31.542 32.600 0.086 0.000 1.345 1378 M HN 0.926 nan 8.290 nan 0.000 0.203 1379 S N 3.600 119.347 115.700 0.078 0.000 2.667 1379 S HA 0.932 5.400 4.470 -0.004 0.000 0.292 1379 S C -0.920 173.573 174.600 -0.178 0.000 1.126 1379 S CA -0.887 57.276 58.200 -0.063 0.000 0.881 1379 S CB 1.736 64.891 63.200 -0.074 0.000 1.132 1379 S HN 0.514 nan 8.310 nan 0.000 0.492 1380 I N 1.370 121.641 120.570 -0.499 0.000 2.474 1380 I HA 0.460 4.628 4.170 -0.004 0.000 0.294 1380 I C -0.971 174.798 176.117 -0.580 0.000 1.005 1380 I CA -0.241 60.675 61.300 -0.640 0.000 1.113 1380 I CB 1.360 38.760 38.000 -1.000 0.000 1.289 1380 I HN 0.397 nan 8.210 nan 0.000 0.436 1381 L N 4.837 125.805 121.223 -0.424 0.000 2.318 1381 L HA 0.409 4.747 4.340 -0.004 0.000 0.277 1381 L C -0.982 175.741 176.870 -0.246 0.000 1.008 1381 L CA -0.522 54.148 54.840 -0.283 0.000 0.846 1381 L CB 1.338 43.288 42.059 -0.183 0.000 1.220 1381 L HN 0.501 nan 8.230 nan 0.000 0.423 1382 D N 4.648 124.952 120.400 -0.160 0.000 2.412 1382 D HA 0.449 5.087 4.640 -0.004 0.000 0.224 1382 D C -0.475 175.800 176.300 -0.043 0.000 1.093 1382 D CA -0.075 53.871 54.000 -0.090 0.000 0.850 1382 D CB 0.832 41.633 40.800 0.002 0.000 1.046 1382 D HN 0.236 nan 8.370 nan 0.000 0.507 1383 I N 2.069 122.625 120.570 -0.024 0.000 2.498 1383 I HA 0.369 4.537 4.170 -0.004 0.000 0.301 1383 I C 0.127 176.283 176.117 0.065 0.000 0.984 1383 I CA -0.622 60.709 61.300 0.052 0.000 1.204 1383 I CB 1.798 39.862 38.000 0.108 0.000 1.362 1383 I HN 0.346 nan 8.210 nan 0.000 0.471 1384 S N 5.848 121.617 115.700 0.115 0.000 2.538 1384 S HA 0.632 5.100 4.470 -0.004 0.000 0.288 1384 S C -0.599 174.074 174.600 0.122 0.000 1.108 1384 S CA -1.080 57.167 58.200 0.079 0.000 0.971 1384 S CB 1.772 64.986 63.200 0.023 0.000 1.041 1384 S HN 0.320 nan 8.310 nan 0.000 0.483 1385 M N 2.584 122.245 119.600 0.101 0.000 2.241 1385 M HA 0.331 4.809 4.480 -0.004 0.000 0.335 1385 M C 0.189 176.492 176.300 0.004 0.000 1.122 1385 M CA -0.024 55.355 55.300 0.130 0.000 1.164 1385 M CB 0.236 32.941 32.600 0.175 0.000 1.459 1385 M HN 0.734 nan 8.290 nan 0.000 0.461 1386 M N 1.519 121.074 119.600 -0.076 0.000 2.239 1386 M HA 0.094 4.572 4.480 -0.004 0.000 0.348 1386 M C 0.498 176.848 176.300 0.085 0.000 1.239 1386 M CA -0.124 55.096 55.300 -0.134 0.000 1.114 1386 M CB -0.163 32.204 32.600 -0.390 0.000 1.641 1386 M HN 0.674 nan 8.290 nan 0.000 0.453 1387 T N 0.497 115.096 114.554 0.074 0.000 2.822 1387 T HA 0.265 4.613 4.350 -0.004 0.000 0.288 1387 T C 1.257 176.051 174.700 0.157 0.000 0.991 1387 T CA 0.273 62.425 62.100 0.085 0.000 1.176 1387 T CB 0.161 69.063 68.868 0.058 0.000 0.951 1387 T HN 1.055 nan 8.240 nan 0.000 0.526 1388 G N 2.014 110.816 108.800 0.004 0.000 2.194 1388 G HA2 -0.197 3.761 3.960 -0.004 0.000 0.236 1388 G HA3 -0.197 3.761 3.960 -0.004 0.000 0.236 1388 G C -0.085 174.576 174.900 -0.399 0.000 0.987 1388 G CA -0.476 44.457 45.100 -0.278 0.000 0.635 1388 G HN 0.700 nan 8.290 nan 0.000 0.520 1389 F N 1.237 121.149 119.950 -0.063 0.000 2.470 1389 F HA 0.773 5.298 4.527 -0.004 0.000 0.329 1389 F C 0.547 176.525 175.800 0.297 0.000 1.072 1389 F CA -0.169 57.915 58.000 0.141 0.000 0.989 1389 F CB 2.270 41.338 39.000 0.113 0.000 1.193 1389 F HN 0.379 nan 8.300 nan 0.000 0.481 1390 A N 2.797 125.879 122.820 0.437 0.000 2.549 1390 A HA 0.810 5.128 4.320 -0.004 0.000 0.297 1390 A C -3.014 174.549 177.584 -0.035 0.000 1.061 1390 A CA -1.922 50.170 52.037 0.092 0.000 0.690 1390 A CB 1.681 20.503 19.000 -0.297 0.000 1.287 1390 A HN 0.361 nan 8.150 nan 0.000 0.402 1391 P HA 0.267 nan 4.420 nan 0.000 0.274 1391 P C -0.917 176.356 177.300 -0.045 0.000 1.237 1391 P CA -0.038 63.068 63.100 0.010 0.000 0.793 1391 P CB 0.513 32.185 31.700 -0.047 0.000 0.977 1392 D N 0.483 120.932 120.400 0.083 0.000 2.359 1392 D HA 0.019 4.656 4.640 -0.004 0.000 0.250 1392 D C 1.017 177.425 176.300 0.180 0.000 1.264 1392 D CA 0.149 54.295 54.000 0.243 0.000 0.911 1392 D CB 0.048 40.967 40.800 0.199 0.000 1.056 1392 D HN 0.277 nan 8.370 nan 0.000 0.499 1393 T N 0.973 115.679 114.554 0.255 0.000 2.721 1393 T HA -0.262 4.086 4.350 -0.004 0.000 0.268 1393 T C 1.332 176.079 174.700 0.078 0.000 1.038 1393 T CA 1.216 63.392 62.100 0.127 0.000 1.145 1393 T CB -0.114 68.865 68.868 0.186 0.000 0.858 1393 T HN 0.365 nan 8.240 nan 0.000 0.459 1394 D N 1.497 121.966 120.400 0.114 0.000 2.097 1394 D HA -0.071 4.566 4.640 -0.004 0.000 0.197 1394 D C 1.951 178.286 176.300 0.059 0.000 0.984 1394 D CA 1.313 55.359 54.000 0.077 0.000 0.826 1394 D CB -0.479 40.374 40.800 0.090 0.000 0.973 1394 D HN 0.344 nan 8.370 nan 0.000 0.460 1395 D N 0.108 120.556 120.400 0.081 0.000 2.218 1395 D HA -0.054 4.584 4.640 -0.004 0.000 0.204 1395 D C 2.246 178.545 176.300 -0.002 0.000 0.976 1395 D CA 0.254 54.295 54.000 0.070 0.000 0.853 1395 D CB -0.099 40.784 40.800 0.138 0.000 0.939 1395 D HN 0.192 nan 8.370 nan 0.000 0.481 1396 L N 0.190 121.374 121.223 -0.065 0.000 2.023 1396 L HA -0.120 4.218 4.340 -0.004 0.000 0.205 1396 L C 2.220 179.030 176.870 -0.101 0.000 1.073 1396 L CA 1.112 55.853 54.840 -0.165 0.000 0.745 1396 L CB -0.228 41.700 42.059 -0.218 0.000 0.900 1396 L HN -0.031 nan 8.230 nan 0.000 0.435 1397 K N -0.165 120.202 120.400 -0.055 0.000 2.057 1397 K HA -0.265 4.052 4.320 -0.004 0.000 0.207 1397 K C 2.019 178.608 176.600 -0.017 0.000 1.049 1397 K CA 1.522 57.788 56.287 -0.034 0.000 0.931 1397 K CB -0.195 32.296 32.500 -0.014 0.000 0.714 1397 K HN 0.145 nan 8.250 nan 0.000 0.440 1398 Q N 1.500 121.297 119.800 -0.005 0.000 2.096 1398 Q HA -0.184 4.154 4.340 -0.004 0.000 0.208 1398 Q C 1.825 177.827 176.000 0.003 0.000 0.993 1398 Q CA 1.691 57.499 55.803 0.008 0.000 0.862 1398 Q CB -0.324 28.427 28.738 0.023 0.000 0.915 1398 Q HN 0.339 nan 8.270 nan 0.000 0.416 1399 L N -0.431 120.783 121.223 -0.015 0.000 2.044 1399 L HA -0.062 4.275 4.340 -0.004 0.000 0.205 1399 L C 2.470 179.331 176.870 -0.015 0.000 1.075 1399 L CA 0.958 55.788 54.840 -0.017 0.000 0.747 1399 L CB -0.660 41.368 42.059 -0.051 0.000 0.903 1399 L HN 0.425 nan 8.230 nan 0.000 0.435 1400 A N 0.150 122.948 122.820 -0.036 0.000 1.972 1400 A HA -0.230 4.088 4.320 -0.004 0.000 0.219 1400 A C 1.901 179.499 177.584 0.024 0.000 1.169 1400 A CA 2.073 54.097 52.037 -0.021 0.000 0.635 1400 A CB -0.817 18.145 19.000 -0.063 0.000 0.810 1400 A HN 0.556 nan 8.150 nan 0.000 0.446 1401 N N -0.123 118.587 118.700 0.016 0.000 2.331 1401 N HA 0.051 4.789 4.740 -0.004 0.000 0.180 1401 N C 1.095 176.623 175.510 0.030 0.000 1.019 1401 N CA 0.205 53.270 53.050 0.026 0.000 0.881 1401 N CB -0.199 38.299 38.487 0.018 0.000 0.972 1401 N HN 0.480 nan 8.380 nan 0.000 0.435 1402 G N 0.925 109.741 108.800 0.027 0.000 2.484 1402 G HA2 0.165 4.123 3.960 -0.004 0.000 0.235 1402 G HA3 0.165 4.123 3.960 -0.004 0.000 0.235 1402 G C -0.058 174.864 174.900 0.038 0.000 1.282 1402 G CA -0.338 44.780 45.100 0.030 0.000 0.857 1402 G HN 0.021 nan 8.290 nan 0.000 0.571 1403 V N 1.974 121.908 119.914 0.033 0.000 3.003 1403 V HA 0.251 4.368 4.120 -0.004 0.000 0.305 1403 V C 0.762 176.880 176.094 0.039 0.000 1.078 1403 V CA 0.650 62.970 62.300 0.033 0.000 1.083 1403 V CB 0.947 32.785 31.823 0.024 0.000 1.039 1403 V HN 1.006 nan 8.190 nan 0.000 0.481 1404 D N 2.099 122.523 120.400 0.040 0.000 3.059 1404 D HA -0.147 4.491 4.640 -0.004 0.000 0.220 1404 D C 0.024 176.363 176.300 0.066 0.000 1.169 1404 D CA 1.156 55.183 54.000 0.046 0.000 0.902 1404 D CB -0.778 40.046 40.800 0.041 0.000 1.116 1404 D HN 0.688 nan 8.370 nan 0.000 0.417 1405 R N -0.342 120.207 120.500 0.083 0.000 2.584 1405 R HA 0.559 4.897 4.340 -0.004 0.000 0.276 1405 R C -1.384 175.019 176.300 0.171 0.000 1.046 1405 R CA -0.828 55.335 56.100 0.104 0.000 0.906 1405 R CB 2.263 32.598 30.300 0.059 0.000 1.215 1405 R HN 0.102 nan 8.270 nan 0.000 0.449 1406 Y N 3.089 123.421 120.300 0.052 0.000 2.470 1406 Y HA 0.584 5.132 4.550 -0.004 0.000 0.341 1406 Y C -1.599 174.372 175.900 0.118 0.000 1.021 1406 Y CA -0.847 57.288 58.100 0.059 0.000 1.025 1406 Y CB 1.533 40.009 38.460 0.028 0.000 1.266 1406 Y HN 0.532 nan 8.280 nan 0.000 0.448 1407 I N 5.487 125.672 120.570 -0.642 0.000 2.478 1407 I HA 0.309 4.476 4.170 -0.004 0.000 0.287 1407 I C -0.319 175.295 176.117 -0.839 0.000 1.042 1407 I CA -1.096 59.843 61.300 -0.602 0.000 1.067 1407 I CB 2.160 39.985 38.000 -0.291 0.000 1.233 1407 I HN 0.756 nan 8.210 nan 0.000 0.431 1408 S N 4.612 119.890 115.700 -0.703 0.000 2.558 1408 S HA -0.007 4.460 4.470 -0.004 0.000 0.293 1408 S C 1.103 175.653 174.600 -0.083 0.000 1.292 1408 S CA -0.255 57.770 58.200 -0.291 0.000 1.063 1408 S CB 1.129 64.348 63.200 0.032 0.000 0.831 1408 S HN 0.844 nan 8.310 nan 0.000 0.499 1409 K N 2.000 122.414 120.400 0.024 0.000 2.074 1409 K HA -0.258 4.060 4.320 -0.004 0.000 0.209 1409 K C 1.845 178.477 176.600 0.053 0.000 1.048 1409 K CA 1.926 58.235 56.287 0.037 0.000 0.926 1409 K CB -0.507 32.034 32.500 0.069 0.000 0.713 1409 K HN 0.848 nan 8.250 nan 0.000 0.444 1410 Y N 1.361 121.650 120.300 -0.019 0.000 2.139 1410 Y HA -0.329 4.218 4.550 -0.004 0.000 0.282 1410 Y C 2.037 177.913 175.900 -0.040 0.000 1.179 1410 Y CA 2.320 60.409 58.100 -0.018 0.000 1.161 1410 Y CB -0.115 38.345 38.460 -0.000 0.000 0.970 1410 Y HN 0.241 nan 8.280 nan 0.000 0.511 1411 E N -0.249 119.992 120.200 0.069 0.000 2.072 1411 E HA -0.123 4.224 4.350 -0.004 0.000 0.190 1411 E C 1.852 178.371 176.600 -0.135 0.000 0.982 1411 E CA 1.219 57.590 56.400 -0.048 0.000 0.803 1411 E CB -0.301 29.394 29.700 -0.008 0.000 0.755 1411 E HN 0.418 nan 8.360 nan 0.000 0.453 1412 L N 1.003 122.163 121.223 -0.104 0.000 2.093 1412 L HA -0.121 4.217 4.340 -0.004 0.000 0.208 1412 L C 1.434 178.248 176.870 -0.094 0.000 1.085 1412 L CA 1.614 56.397 54.840 -0.096 0.000 0.755 1412 L CB -0.478 41.538 42.059 -0.072 0.000 0.904 1412 L HN 0.097 nan 8.230 nan 0.000 0.435 1413 D N -1.014 119.320 120.400 -0.109 0.000 2.363 1413 D HA -0.050 4.588 4.640 -0.004 0.000 0.220 1413 D C 1.036 177.247 176.300 -0.149 0.000 0.994 1413 D CA 0.446 54.383 54.000 -0.106 0.000 0.890 1413 D CB -0.007 40.739 40.800 -0.089 0.000 0.906 1413 D HN 0.051 nan 8.370 nan 0.000 0.530 1414 K N 0.604 120.878 120.400 -0.210 0.000 2.138 1414 K HA 0.463 4.781 4.320 -0.004 0.000 0.251 1414 K C 0.009 176.532 176.600 -0.129 0.000 1.015 1414 K CA -0.441 55.713 56.287 -0.221 0.000 0.917 1414 K CB 0.706 33.027 32.500 -0.300 0.000 1.021 1414 K HN -0.072 nan 8.250 nan 0.000 0.485 1415 A N 2.239 124.995 122.820 -0.107 0.000 2.409 1415 A HA 0.100 4.418 4.320 -0.004 0.000 0.246 1415 A C 0.792 178.352 177.584 -0.040 0.000 1.099 1415 A CA 0.116 52.124 52.037 -0.049 0.000 0.789 1415 A CB -0.227 18.744 19.000 -0.048 0.000 1.053 1415 A HN 0.834 nan 8.150 nan 0.000 0.503 1416 F N 0.083 119.947 119.950 -0.143 0.000 2.149 1416 F HA -0.043 4.481 4.527 -0.004 0.000 0.294 1416 F C 2.729 178.344 175.800 -0.309 0.000 1.095 1416 F CA 2.226 60.120 58.000 -0.175 0.000 1.276 1416 F CB -0.070 38.838 39.000 -0.153 0.000 1.023 1416 F HN 0.502 nan 8.300 nan 0.000 0.480 1417 S N -0.648 114.947 115.700 -0.175 0.000 2.371 1417 S HA -0.125 4.343 4.470 -0.004 0.000 0.224 1417 S C 0.816 175.274 174.600 -0.237 0.000 1.029 1417 S CA 1.056 58.992 58.200 -0.440 0.000 0.978 1417 S CB -0.449 62.625 63.200 -0.209 0.000 0.833 1417 S HN 0.255 nan 8.310 nan 0.000 0.466 1418 D N 1.809 122.127 120.400 -0.135 0.000 2.994 1418 D HA 0.174 4.812 4.640 -0.004 0.000 0.240 1418 D C 0.099 176.327 176.300 -0.119 0.000 1.195 1418 D CA 0.195 54.139 54.000 -0.093 0.000 0.957 1418 D CB -0.119 40.636 40.800 -0.075 0.000 1.105 1418 D HN 0.252 nan 8.370 nan 0.000 0.477 1419 R N 2.168 122.588 120.500 -0.133 0.000 3.101 1419 R HA 0.026 4.364 4.340 -0.004 0.000 0.242 1419 R C -0.179 176.070 176.300 -0.085 0.000 1.831 1419 R CA -0.211 55.809 56.100 -0.133 0.000 1.321 1419 R CB -0.023 30.156 30.300 -0.201 0.000 1.512 1419 R HN -0.004 nan 8.270 nan 0.000 0.568 1420 N N 0.478 119.159 118.700 -0.032 0.000 2.171 1420 N HA -0.006 4.732 4.740 -0.004 0.000 0.212 1420 N C -0.393 175.120 175.510 0.004 0.000 1.184 1420 N CA -0.056 53.003 53.050 0.016 0.000 0.888 1420 N CB 1.071 39.581 38.487 0.038 0.000 1.038 1420 N HN 0.411 nan 8.380 nan 0.000 0.517 1421 T N -1.398 113.144 114.554 -0.019 0.000 2.907 1421 T HA 0.709 5.057 4.350 -0.004 0.000 0.292 1421 T C -0.874 173.809 174.700 -0.028 0.000 1.043 1421 T CA -0.832 61.259 62.100 -0.016 0.000 1.003 1421 T CB 2.322 71.175 68.868 -0.024 0.000 1.084 1421 T HN 0.059 nan 8.240 nan 0.000 0.483 1422 L N 1.517 122.719 121.223 -0.036 0.000 2.505 1422 L HA 0.726 5.064 4.340 -0.004 0.000 0.259 1422 L C -1.883 174.919 176.870 -0.113 0.000 0.952 1422 L CA -0.849 53.944 54.840 -0.077 0.000 0.840 1422 L CB 1.975 43.974 42.059 -0.099 0.000 1.358 1422 L HN 0.871 nan 8.230 nan 0.000 0.409 1423 I N 5.672 126.143 120.570 -0.166 0.000 2.418 1423 I HA 0.445 4.613 4.170 -0.004 0.000 0.287 1423 I C -0.770 175.114 176.117 -0.388 0.000 1.008 1423 I CA -0.446 60.667 61.300 -0.312 0.000 1.104 1423 I CB 1.772 39.538 38.000 -0.390 0.000 1.264 1423 I HN 0.464 nan 8.210 nan 0.000 0.438 1424 I N 6.474 126.814 120.570 -0.384 0.000 2.339 1424 I HA 0.275 4.442 4.170 -0.004 0.000 0.290 1424 I C -0.957 174.969 176.117 -0.319 0.000 0.994 1424 I CA -0.586 60.543 61.300 -0.285 0.000 1.191 1424 I CB 1.131 39.021 38.000 -0.183 0.000 1.343 1424 I HN 0.407 nan 8.210 nan 0.000 0.458 1425 Y N 6.749 127.018 120.300 -0.052 0.000 2.367 1425 Y HA 0.432 4.980 4.550 -0.004 0.000 0.342 1425 Y C 0.030 175.946 175.900 0.027 0.000 0.979 1425 Y CA -0.507 57.601 58.100 0.013 0.000 1.161 1425 Y CB 0.867 39.431 38.460 0.173 0.000 1.155 1425 Y HN 0.307 nan 8.280 nan 0.000 0.503 1426 L N 3.397 124.686 121.223 0.109 0.000 2.325 1426 L HA 0.328 4.665 4.340 -0.004 0.000 0.279 1426 L C 0.268 177.193 176.870 0.092 0.000 1.054 1426 L CA -0.598 54.291 54.840 0.081 0.000 0.804 1426 L CB 1.160 43.241 42.059 0.036 0.000 1.200 1426 L HN 0.589 nan 8.230 nan 0.000 0.436 1427 D N 0.845 121.289 120.400 0.074 0.000 2.289 1427 D HA -0.005 4.632 4.640 -0.004 0.000 0.207 1427 D C 0.105 176.438 176.300 0.054 0.000 0.966 1427 D CA 0.998 55.029 54.000 0.051 0.000 0.868 1427 D CB 0.282 41.102 40.800 0.033 0.000 0.943 1427 D HN 0.512 nan 8.370 nan 0.000 0.514 1428 K N -2.002 118.435 120.400 0.061 0.000 2.680 1428 K HA 0.633 4.950 4.320 -0.004 0.000 0.295 1428 K C -1.628 175.020 176.600 0.081 0.000 1.052 1428 K CA -1.125 55.199 56.287 0.062 0.000 0.863 1428 K CB 2.052 34.582 32.500 0.050 0.000 1.549 1428 K HN -0.189 nan 8.250 nan 0.000 0.391 1429 V N -0.611 119.353 119.914 0.084 0.000 2.827 1429 V HA 0.479 4.597 4.120 -0.004 0.000 0.250 1429 V C -1.440 174.729 176.094 0.126 0.000 1.755 1429 V CA 0.287 62.661 62.300 0.124 0.000 0.888 1429 V CB 1.325 33.267 31.823 0.198 0.000 1.303 1429 V HN 1.067 nan 8.190 nan 0.000 0.470 1430 S N 3.723 119.511 115.700 0.146 0.000 2.816 1430 S HA 0.666 5.133 4.470 -0.004 0.000 0.253 1430 S C -0.137 174.598 174.600 0.225 0.000 1.055 1430 S CA 0.312 58.621 58.200 0.182 0.000 1.032 1430 S CB 1.255 64.538 63.200 0.138 0.000 1.270 1430 S HN 1.116 nan 8.310 nan 0.000 0.587 1431 H N 0.000 119.104 119.070 0.056 0.000 2.637 1431 H HA 0.543 5.097 4.556 -0.004 0.000 0.245 1431 H C 1.047 176.383 175.328 0.014 0.000 1.190 1431 H CA -0.067 55.989 56.048 0.014 0.000 0.934 1431 H CB -0.263 29.475 29.762 -0.040 0.000 1.950 1431 H HN 0.304 nan 8.280 nan 0.000 0.614 1432 S N -0.508 115.240 115.700 0.079 0.000 2.336 1432 S HA -0.034 4.434 4.470 -0.004 0.000 0.214 1432 S C 0.842 175.433 174.600 -0.015 0.000 1.032 1432 S CA 1.112 59.319 58.200 0.012 0.000 1.001 1432 S CB 0.563 63.784 63.200 0.034 0.000 0.953 1432 S HN 0.570 nan 8.310 nan 0.000 0.430 1433 E N 0.314 120.534 120.200 0.033 0.000 3.446 1433 E HA 0.471 4.819 4.350 -0.004 0.000 0.229 1433 E C -1.270 175.372 176.600 0.070 0.000 0.740 1433 E CA -0.698 55.719 56.400 0.029 0.000 1.531 1433 E CB 0.340 30.060 29.700 0.033 0.000 1.891 1433 E HN -0.017 nan 8.360 nan 0.000 0.383 1434 D N 0.524 120.966 120.400 0.070 0.000 2.696 1434 D HA 0.254 4.891 4.640 -0.004 0.000 0.251 1434 D C -1.663 174.683 176.300 0.077 0.000 1.188 1434 D CA -0.440 53.615 54.000 0.092 0.000 0.876 1434 D CB 1.334 42.180 40.800 0.076 0.000 1.334 1434 D HN 0.088 nan 8.370 nan 0.000 0.540 1435 D N 1.643 122.098 120.400 0.091 0.000 2.339 1435 D HA 0.187 4.825 4.640 -0.004 0.000 0.256 1435 D C -0.398 175.939 176.300 0.061 0.000 1.214 1435 D CA 0.154 54.199 54.000 0.075 0.000 0.877 1435 D CB 0.410 41.263 40.800 0.088 0.000 1.111 1435 D HN 0.201 nan 8.370 nan 0.000 0.478 1436 c N 3.166 121.794 118.600 0.046 0.000 2.561 1436 c HA 0.822 5.390 4.570 -0.004 0.000 0.319 1436 c C -0.390 173.719 174.090 0.033 0.000 1.198 1436 c CA -0.747 55.602 56.329 0.033 0.000 1.665 1436 c CB 0.439 42.963 42.510 0.023 0.000 2.258 1436 c HN 0.586 nan 8.230 nan 0.000 0.493 1437 L N 0.999 122.240 121.223 0.029 0.000 2.540 1437 L HA 1.084 5.422 4.340 -0.004 0.000 0.256 1437 L C -0.640 176.252 176.870 0.037 0.000 1.001 1437 L CA -0.532 54.338 54.840 0.050 0.000 0.843 1437 L CB 1.429 43.534 42.059 0.076 0.000 1.436 1437 L HN 0.854 nan 8.230 nan 0.000 0.410 1438 A N 1.133 123.993 122.820 0.066 0.000 2.606 1438 A HA 0.960 5.278 4.320 -0.004 0.000 0.293 1438 A C -1.510 176.143 177.584 0.115 0.000 1.082 1438 A CA -0.358 51.665 52.037 -0.024 0.000 0.685 1438 A CB 1.521 20.474 19.000 -0.079 0.000 1.284 1438 A HN 1.632 nan 8.150 nan 0.000 0.408 1439 F N -1.270 118.641 119.950 -0.065 0.000 2.678 1439 F HA 0.723 5.248 4.527 -0.004 0.000 0.308 1439 F C -0.675 175.084 175.800 -0.068 0.000 1.118 1439 F CA -1.090 56.877 58.000 -0.055 0.000 0.959 1439 F CB 1.108 40.074 39.000 -0.058 0.000 1.305 1439 F HN 0.456 nan 8.300 nan 0.000 0.443 1440 K N 2.000 122.474 120.400 0.123 0.000 2.350 1440 K HA 0.566 4.884 4.320 -0.004 0.000 0.279 1440 K C -0.724 175.822 176.600 -0.090 0.000 1.027 1440 K CA -0.485 55.783 56.287 -0.031 0.000 0.969 1440 K CB 1.357 33.856 32.500 -0.003 0.000 0.954 1440 K HN 0.638 nan 8.250 nan 0.000 0.474 1441 V N 0.321 120.145 119.914 -0.150 0.000 2.604 1441 V HA 0.464 4.581 4.120 -0.004 0.000 0.305 1441 V C -0.769 175.328 176.094 0.005 0.000 1.043 1441 V CA -0.933 61.349 62.300 -0.030 0.000 0.888 1441 V CB 1.637 33.565 31.823 0.174 0.000 0.995 1441 V HN 0.662 nan 8.190 nan 0.000 0.429 1442 H N 2.801 122.084 119.070 0.355 0.000 2.495 1442 H HA 0.465 5.019 4.556 -0.004 0.000 0.348 1442 H C -0.709 174.635 175.328 0.025 0.000 1.113 1442 H CA -0.462 55.727 56.048 0.236 0.000 1.195 1442 H CB 2.225 32.173 29.762 0.310 0.000 1.521 1442 H HN 0.871 nan 8.280 nan 0.000 0.509 1443 Q N 2.798 122.419 119.800 -0.299 0.000 2.307 1443 Q HA 0.075 4.412 4.340 -0.004 0.000 0.259 1443 Q C -0.093 175.794 176.000 -0.188 0.000 0.998 1443 Q CA -0.230 55.102 55.803 -0.785 0.000 0.923 1443 Q CB 0.383 28.467 28.738 -1.089 0.000 1.196 1443 Q HN 0.759 nan 8.270 nan 0.000 0.416 1444 Y N 3.298 123.552 120.300 -0.077 0.000 2.464 1444 Y HA 0.330 4.878 4.550 -0.004 0.000 0.288 1444 Y C -0.185 175.734 175.900 0.032 0.000 1.133 1444 Y CA -0.575 57.550 58.100 0.041 0.000 1.223 1444 Y CB 0.195 38.769 38.460 0.189 0.000 1.187 1444 Y HN 0.427 nan 8.280 nan 0.000 0.539 1445 F N 2.824 122.407 119.950 -0.611 0.000 2.399 1445 F HA 0.454 4.979 4.527 -0.004 0.000 0.334 1445 F C -0.456 175.185 175.800 -0.265 0.000 1.097 1445 F CA -1.342 56.456 58.000 -0.337 0.000 1.076 1445 F CB 0.886 39.656 39.000 -0.384 0.000 1.162 1445 F HN -0.022 nan 8.300 nan 0.000 0.495 1446 N N 3.511 122.215 118.700 0.006 0.000 2.400 1446 N HA 0.589 5.326 4.740 -0.004 0.000 0.288 1446 N C -1.635 174.006 175.510 0.218 0.000 1.024 1446 N CA -0.187 52.893 53.050 0.050 0.000 0.894 1446 N CB 1.641 40.094 38.487 -0.057 0.000 1.173 1446 N HN 0.517 nan 8.380 nan 0.000 0.487 1447 V N 1.962 121.976 119.914 0.167 0.000 3.178 1447 V HA 0.358 4.476 4.120 -0.004 0.000 0.302 1447 V C -1.020 175.142 176.094 0.113 0.000 1.262 1447 V CA -0.874 61.523 62.300 0.162 0.000 1.030 1447 V CB 2.061 33.977 31.823 0.155 0.000 1.074 1447 V HN 0.821 nan 8.190 nan 0.000 0.438 1448 E N 4.582 124.838 120.200 0.093 0.000 2.349 1448 E HA 0.573 4.921 4.350 -0.004 0.000 0.262 1448 E C 0.728 177.367 176.600 0.066 0.000 1.088 1448 E CA -0.006 56.436 56.400 0.070 0.000 0.899 1448 E CB 1.496 31.228 29.700 0.052 0.000 1.044 1448 E HN 0.665 nan 8.360 nan 0.000 0.420 1449 L N 0.370 121.625 121.223 0.054 0.000 3.449 1449 L HA -0.407 3.930 4.340 -0.004 0.000 0.077 1449 L C 1.067 177.989 176.870 0.087 0.000 4.433 1449 L CA 1.665 56.529 54.840 0.039 0.000 0.491 1449 L CB -2.243 39.807 42.059 -0.014 0.000 3.547 1449 L HN 1.084 nan 8.230 nan 0.000 0.760 1450 I N -0.476 120.141 120.570 0.078 0.000 8.714 1450 I HA -0.278 3.889 4.170 -0.004 0.000 0.126 1450 I C -0.074 176.085 176.117 0.069 0.000 1.854 1450 I CA 0.699 62.065 61.300 0.109 0.000 2.050 1450 I CB -0.035 38.066 38.000 0.168 0.000 3.870 1450 I HN 0.518 nan 8.210 nan 0.000 0.173 1451 Q N 8.106 127.918 119.800 0.020 0.000 2.314 1451 Q HA 0.534 4.871 4.340 -0.004 0.000 0.258 1451 Q C -2.261 173.710 176.000 -0.049 0.000 0.954 1451 Q CA -1.474 54.301 55.803 -0.046 0.000 0.890 1451 Q CB 1.004 29.743 28.738 0.002 0.000 1.210 1451 Q HN 0.537 nan 8.270 nan 0.000 0.410 1452 P HA -0.035 nan 4.420 nan 0.000 0.267 1452 P C -0.445 176.728 177.300 -0.210 0.000 1.201 1452 P CA 0.157 63.181 63.100 -0.126 0.000 0.775 1452 P CB 0.520 32.145 31.700 -0.125 0.000 0.854 1453 G N 0.353 108.795 108.800 -0.596 0.000 2.543 1453 G HA2 0.619 4.577 3.960 -0.004 0.000 0.290 1453 G HA3 0.619 4.577 3.960 -0.004 0.000 0.290 1453 G C -1.229 173.477 174.900 -0.322 0.000 1.310 1453 G CA -0.312 44.359 45.100 -0.715 0.000 1.025 1453 G HN 0.651 nan 8.290 nan 0.000 0.502 1454 A N -1.402 121.417 122.820 -0.000 0.000 2.513 1454 A HA 0.587 4.905 4.320 -0.004 0.000 0.296 1454 A C -1.312 176.312 177.584 0.066 0.000 1.052 1454 A CA -0.374 51.659 52.037 -0.007 0.000 0.714 1454 A CB 1.667 20.561 19.000 -0.177 0.000 1.279 1454 A HN 1.092 nan 8.150 nan 0.000 0.397 1455 V N 2.172 122.079 119.914 -0.012 0.000 2.495 1455 V HA 0.624 4.742 4.120 -0.004 0.000 0.298 1455 V C 0.005 176.032 176.094 -0.113 0.000 1.031 1455 V CA -0.525 61.751 62.300 -0.041 0.000 0.871 1455 V CB 1.741 33.538 31.823 -0.043 0.000 0.988 1455 V HN 0.899 nan 8.190 nan 0.000 0.432 1456 K N 4.019 124.366 120.400 -0.087 0.000 2.426 1456 K HA 0.762 5.080 4.320 -0.004 0.000 0.254 1456 K C -1.078 175.481 176.600 -0.069 0.000 0.936 1456 K CA -0.574 55.673 56.287 -0.066 0.000 0.801 1456 K CB 2.082 34.572 32.500 -0.018 0.000 1.139 1456 K HN 0.617 nan 8.250 nan 0.000 0.424 1457 V N 1.793 121.633 119.914 -0.124 0.000 2.581 1457 V HA 0.812 4.930 4.120 -0.004 0.000 0.303 1457 V C -1.263 174.641 176.094 -0.317 0.000 1.041 1457 V CA -0.502 61.595 62.300 -0.339 0.000 0.907 1457 V CB 0.632 32.151 31.823 -0.507 0.000 0.994 1457 V HN 0.864 nan 8.190 nan 0.000 0.442 1458 Y N 1.482 121.439 120.300 -0.570 0.000 2.662 1458 Y HA 0.877 5.424 4.550 -0.004 0.000 0.334 1458 Y C -0.304 175.391 175.900 -0.341 0.000 1.185 1458 Y CA -0.897 56.916 58.100 -0.480 0.000 1.074 1458 Y CB 0.720 39.033 38.460 -0.244 0.000 1.330 1458 Y HN 1.048 nan 8.280 nan 0.000 0.458 1459 A N 1.811 124.570 122.820 -0.101 0.000 2.322 1459 A HA 0.367 4.685 4.320 -0.004 0.000 0.269 1459 A C 0.453 177.961 177.584 -0.126 0.000 1.094 1459 A CA -0.086 51.856 52.037 -0.159 0.000 0.807 1459 A CB -0.204 18.550 19.000 -0.410 0.000 1.047 1459 A HN 1.250 nan 8.150 nan 0.000 0.487 1460 Y N 0.866 121.139 120.300 -0.046 0.000 2.224 1460 Y HA -0.280 4.267 4.550 -0.004 0.000 0.289 1460 Y C 1.552 177.513 175.900 0.102 0.000 1.146 1460 Y CA 1.898 60.050 58.100 0.088 0.000 1.182 1460 Y CB -0.940 37.589 38.460 0.116 0.000 0.983 1460 Y HN 0.720 nan 8.280 nan 0.000 0.524 1461 Y N 0.525 120.288 120.300 -0.894 0.000 2.578 1461 Y HA 0.254 4.802 4.550 -0.004 0.000 0.297 1461 Y C -0.221 175.549 175.900 -0.216 0.000 1.176 1461 Y CA -0.119 57.571 58.100 -0.684 0.000 1.315 1461 Y CB -0.605 37.354 38.460 -0.835 0.000 1.031 1461 Y HN 0.311 nan 8.280 nan 0.000 0.524 1462 N N 0.587 119.058 118.700 -0.382 0.000 2.932 1462 N HA 0.087 4.825 4.740 -0.004 0.000 0.242 1462 N C -0.200 175.229 175.510 -0.135 0.000 1.351 1462 N CA -0.218 52.715 53.050 -0.194 0.000 0.785 1462 N CB 0.621 38.997 38.487 -0.185 0.000 1.501 1462 N HN 0.203 nan 8.380 nan 0.000 0.584 1463 L N 3.234 124.374 121.223 -0.138 0.000 2.141 1463 L HA 0.048 4.385 4.340 -0.004 0.000 0.209 1463 L C 1.794 178.526 176.870 -0.230 0.000 1.094 1463 L CA 1.908 56.555 54.840 -0.321 0.000 0.763 1463 L CB -0.180 41.651 42.059 -0.381 0.000 0.908 1463 L HN 0.575 nan 8.230 nan 0.000 0.437 1464 E N -0.095 120.033 120.200 -0.121 0.000 2.058 1464 E HA -0.212 4.136 4.350 -0.004 0.000 0.194 1464 E C 0.520 177.099 176.600 -0.035 0.000 0.997 1464 E CA 1.268 57.626 56.400 -0.070 0.000 0.801 1464 E CB -0.216 29.462 29.700 -0.036 0.000 0.746 1464 E HN 0.600 nan 8.360 nan 0.000 0.450 1465 E N 1.823 122.021 120.200 -0.004 0.000 1.802 1465 E HA 0.060 4.408 4.350 -0.004 0.000 0.265 1465 E C -0.401 176.250 176.600 0.086 0.000 1.168 1465 E CA -0.428 56.005 56.400 0.054 0.000 1.033 1465 E CB 0.404 30.159 29.700 0.091 0.000 1.095 1465 E HN 0.109 nan 8.360 nan 0.000 0.436 1466 S N 0.844 116.570 115.700 0.043 0.000 2.786 1466 S HA 0.661 5.129 4.470 -0.004 0.000 0.307 1466 S C -0.497 174.133 174.600 0.051 0.000 1.121 1466 S CA -0.916 57.305 58.200 0.034 0.000 0.975 1466 S CB 2.085 65.257 63.200 -0.046 0.000 1.220 1466 S HN 0.409 nan 8.310 nan 0.000 0.550 1467 c N 1.154 119.760 118.600 0.009 0.000 2.871 1467 c HA 0.738 5.305 4.570 -0.004 0.000 0.378 1467 c C -0.964 173.101 174.090 -0.041 0.000 1.052 1467 c CA -0.013 56.325 56.329 0.014 0.000 1.250 1467 c CB 0.429 42.983 42.510 0.072 0.000 1.689 1467 c HN 0.987 nan 8.230 nan 0.000 0.506 1468 T N 5.061 119.575 114.554 -0.067 0.000 2.841 1468 T HA 0.682 5.030 4.350 -0.004 0.000 0.283 1468 T C -0.563 174.011 174.700 -0.211 0.000 1.000 1468 T CA -0.480 61.512 62.100 -0.179 0.000 0.977 1468 T CB 1.487 70.188 68.868 -0.278 0.000 0.979 1468 T HN 0.696 nan 8.240 nan 0.000 0.446 1469 R N 1.016 121.375 120.500 -0.235 0.000 2.832 1469 R HA 0.786 5.124 4.340 -0.004 0.000 0.271 1469 R C -1.235 174.893 176.300 -0.287 0.000 0.996 1469 R CA -0.664 55.350 56.100 -0.143 0.000 0.977 1469 R CB 0.969 31.276 30.300 0.010 0.000 1.168 1469 R HN 0.482 nan 8.270 nan 0.000 0.482 1470 F N 1.145 121.151 119.950 0.093 0.000 2.541 1470 F HA 0.534 5.059 4.527 -0.004 0.000 0.331 1470 F C -0.404 175.496 175.800 0.166 0.000 1.057 1470 F CA -0.704 57.349 58.000 0.088 0.000 0.975 1470 F CB 1.218 40.220 39.000 0.003 0.000 1.246 1470 F HN 0.431 nan 8.300 nan 0.000 0.484 1471 Y N -0.578 119.828 120.300 0.178 0.000 2.504 1471 Y HA 0.756 5.304 4.550 -0.004 0.000 0.344 1471 Y C -1.550 174.411 175.900 0.102 0.000 1.023 1471 Y CA -1.174 56.978 58.100 0.086 0.000 1.020 1471 Y CB 1.527 39.982 38.460 -0.009 0.000 1.282 1471 Y HN 0.751 nan 8.280 nan 0.000 0.454 1472 H N 3.196 122.264 119.070 -0.003 0.000 3.046 1472 H HA 0.430 4.984 4.556 -0.004 0.000 0.363 1472 H C -2.714 172.588 175.328 -0.043 0.000 1.203 1472 H CA -2.170 53.816 56.048 -0.102 0.000 1.169 1472 H CB 3.097 32.797 29.762 -0.103 0.000 1.851 1472 H HN 0.387 nan 8.280 nan 0.000 0.546 1473 P HA 0.023 nan 4.420 nan 0.000 0.225 1473 P C -0.117 177.057 177.300 -0.211 0.000 1.156 1473 P CA 1.087 63.980 63.100 -0.345 0.000 0.787 1473 P CB 0.454 31.938 31.700 -0.359 0.000 0.802 1474 E N -1.930 118.140 120.200 -0.216 0.000 2.714 1474 E HA 0.174 4.522 4.350 -0.004 0.000 0.219 1474 E C 1.078 177.783 176.600 0.175 0.000 0.979 1474 E CA -0.026 56.388 56.400 0.024 0.000 1.092 1474 E CB 0.435 30.150 29.700 0.024 0.000 1.049 1474 E HN 0.095 nan 8.360 nan 0.000 0.487 1475 K N 0.154 120.719 120.400 0.275 0.000 2.493 1475 K HA 0.100 4.418 4.320 -0.004 0.000 0.201 1475 K C -0.587 176.068 176.600 0.092 0.000 1.355 1475 K CA -0.032 56.349 56.287 0.157 0.000 0.953 1475 K CB 1.009 33.558 32.500 0.081 0.000 1.316 1475 K HN -0.138 nan 8.250 nan 0.000 0.522 1476 E N 1.421 121.690 120.200 0.114 0.000 7.670 1476 E HA -0.187 4.161 4.350 -0.004 0.000 0.463 1476 E C -0.740 175.910 176.600 0.082 0.000 0.435 1476 E CA 1.192 57.646 56.400 0.088 0.000 0.770 1476 E CB -0.741 28.994 29.700 0.058 0.000 0.972 1476 E HN 0.487 nan 8.360 nan 0.000 0.272 1477 D N -0.579 119.884 120.400 0.106 0.000 2.983 1477 D HA -0.171 4.466 4.640 -0.004 0.000 0.225 1477 D C 0.780 177.164 176.300 0.141 0.000 1.174 1477 D CA 2.095 56.174 54.000 0.131 0.000 0.831 1477 D CB -1.514 39.342 40.800 0.094 0.000 1.104 1477 D HN 1.011 nan 8.370 nan 0.000 0.421 1478 G N -0.071 108.813 108.800 0.140 0.000 2.386 1478 G HA2 -0.370 3.588 3.960 -0.004 0.000 0.286 1478 G HA3 -0.370 3.588 3.960 -0.004 0.000 0.286 1478 G C 0.231 175.062 174.900 -0.115 0.000 0.831 1478 G CA 0.981 46.125 45.100 0.072 0.000 1.018 1478 G HN 0.390 nan 8.290 nan 0.000 0.486 1479 K N -0.434 119.892 120.400 -0.124 0.000 2.183 1479 K HA 0.563 4.880 4.320 -0.004 0.000 0.274 1479 K C 0.929 177.404 176.600 -0.208 0.000 1.009 1479 K CA -0.660 55.503 56.287 -0.206 0.000 0.888 1479 K CB 0.691 33.124 32.500 -0.112 0.000 1.078 1479 K HN 0.218 nan 8.250 nan 0.000 0.459 1480 L N 3.507 124.584 121.223 -0.242 0.000 2.453 1480 L HA 0.106 4.444 4.340 -0.004 0.000 0.272 1480 L C 0.039 176.828 176.870 -0.135 0.000 1.182 1480 L CA -0.199 54.522 54.840 -0.199 0.000 0.858 1480 L CB 0.334 42.284 42.059 -0.182 0.000 1.120 1480 L HN 0.656 nan 8.230 nan 0.000 0.474 1481 N N 3.335 121.965 118.700 -0.117 0.000 2.412 1481 N HA 0.013 4.751 4.740 -0.004 0.000 0.279 1481 N C -0.614 174.855 175.510 -0.069 0.000 1.287 1481 N CA 0.291 53.293 53.050 -0.080 0.000 0.948 1481 N CB 0.207 38.649 38.487 -0.075 0.000 1.255 1481 N HN 0.457 nan 8.380 nan 0.000 0.485 1482 K N 0.839 121.207 120.400 -0.054 0.000 2.316 1482 K HA 0.688 5.006 4.320 -0.004 0.000 0.234 1482 K C -1.119 175.461 176.600 -0.033 0.000 1.054 1482 K CA -1.065 55.194 56.287 -0.047 0.000 0.879 1482 K CB 1.373 33.852 32.500 -0.034 0.000 1.252 1482 K HN 0.093 nan 8.250 nan 0.000 0.471 1483 L N 1.262 122.454 121.223 -0.052 0.000 2.492 1483 L HA 0.344 4.681 4.340 -0.004 0.000 0.258 1483 L C -1.789 175.052 176.870 -0.048 0.000 1.028 1483 L CA -0.099 54.699 54.840 -0.069 0.000 0.900 1483 L CB 1.016 42.959 42.059 -0.194 0.000 1.191 1483 L HN 0.813 nan 8.230 nan 0.000 0.459 1484 c N 3.747 122.384 118.600 0.063 0.000 2.376 1484 c HA 0.938 5.506 4.570 -0.004 0.000 0.335 1484 c C -0.120 174.074 174.090 0.173 0.000 1.229 1484 c CA -0.678 55.723 56.329 0.120 0.000 1.867 1484 c CB 1.165 43.746 42.510 0.118 0.000 2.319 1484 c HN 0.877 nan 8.230 nan 0.000 0.515 1485 R N 1.669 122.277 120.500 0.181 0.000 2.561 1485 R HA 0.558 4.895 4.340 -0.004 0.000 0.266 1485 R C -0.748 175.636 176.300 0.140 0.000 1.091 1485 R CA -0.365 55.853 56.100 0.196 0.000 0.927 1485 R CB 0.758 31.164 30.300 0.176 0.000 1.240 1485 R HN 0.733 nan 8.270 nan 0.000 0.449 1486 D N 1.219 121.688 120.400 0.114 0.000 3.996 1486 D HA -0.334 4.304 4.640 -0.004 0.000 0.140 1486 D C 0.572 176.898 176.300 0.044 0.000 0.829 1486 D CA 2.437 56.474 54.000 0.062 0.000 1.111 1486 D CB -0.593 40.224 40.800 0.028 0.000 0.516 1486 D HN 0.818 nan 8.370 nan 0.000 0.517 1487 E N 0.303 120.506 120.200 0.005 0.000 2.011 1487 E HA 0.156 4.504 4.350 -0.004 0.000 0.191 1487 E C 1.007 177.614 176.600 0.012 0.000 0.980 1487 E CA 1.075 57.469 56.400 -0.009 0.000 0.814 1487 E CB -0.134 29.534 29.700 -0.053 0.000 0.775 1487 E HN 0.593 nan 8.360 nan 0.000 0.454 1488 L N -1.718 119.510 121.223 0.008 0.000 2.416 1488 L HA 0.666 5.004 4.340 -0.004 0.000 0.263 1488 L C -0.668 176.333 176.870 0.218 0.000 1.065 1488 L CA -1.209 53.672 54.840 0.069 0.000 0.798 1488 L CB 1.359 43.419 42.059 0.002 0.000 1.267 1488 L HN 0.016 nan 8.230 nan 0.000 0.467 1489 c N 0.157 118.895 118.600 0.230 0.000 2.609 1489 c HA 0.614 5.182 4.570 -0.004 0.000 0.313 1489 c C -0.277 173.901 174.090 0.147 0.000 1.175 1489 c CA -0.712 55.729 56.329 0.186 0.000 1.434 1489 c CB 1.807 44.365 42.510 0.080 0.000 2.005 1489 c HN 0.713 nan 8.230 nan 0.000 0.471 1490 R N 0.912 121.397 120.500 -0.024 0.000 2.368 1490 R HA 0.303 4.641 4.340 -0.004 0.000 0.302 1490 R C -0.242 175.995 176.300 -0.105 0.000 1.002 1490 R CA -0.230 55.771 56.100 -0.165 0.000 0.929 1490 R CB 1.352 31.353 30.300 -0.498 0.000 1.073 1490 R HN 0.927 nan 8.270 nan 0.000 0.464 1491 C N 3.170 122.430 119.300 -0.066 0.000 2.624 1491 C HA 0.328 4.786 4.460 -0.004 0.000 0.397 1491 C C 1.297 176.243 174.990 -0.074 0.000 1.331 1491 C CA -0.160 58.830 59.018 -0.048 0.000 1.716 1491 C CB -1.111 26.628 27.740 -0.003 0.000 2.452 1491 C HN 0.762 nan 8.230 nan 0.000 0.586 1492 A N 4.693 127.465 122.820 -0.080 0.000 2.500 1492 A HA 0.239 4.557 4.320 -0.004 0.000 0.267 1492 A C 1.696 179.232 177.584 -0.080 0.000 1.290 1492 A CA 0.093 52.076 52.037 -0.090 0.000 0.928 1492 A CB -0.267 18.679 19.000 -0.089 0.000 1.066 1492 A HN 0.895 nan 8.150 nan 0.000 0.516 1493 E N 1.191 121.348 120.200 -0.071 0.000 2.347 1493 E HA -0.094 4.253 4.350 -0.004 0.000 0.196 1493 E C 0.806 177.361 176.600 -0.076 0.000 1.008 1493 E CA 0.385 56.740 56.400 -0.075 0.000 0.852 1493 E CB 0.003 29.660 29.700 -0.072 0.000 0.783 1493 E HN 0.950 nan 8.360 nan 0.000 0.505 1494 E N 1.208 121.364 120.200 -0.073 0.000 2.451 1494 E HA -0.005 4.342 4.350 -0.004 0.000 0.256 1494 E C -0.017 176.520 176.600 -0.105 0.000 1.294 1494 E CA -0.400 55.953 56.400 -0.079 0.000 1.005 1494 E CB 0.256 29.915 29.700 -0.068 0.000 0.990 1494 E HN -0.197 nan 8.360 nan 0.000 0.505 1495 N N -0.346 118.285 118.700 -0.116 0.000 2.508 1495 N HA 0.077 4.814 4.740 -0.004 0.000 0.264 1495 N C -0.729 174.639 175.510 -0.237 0.000 1.216 1495 N CA -0.377 52.568 53.050 -0.176 0.000 0.943 1495 N CB 0.558 38.947 38.487 -0.164 0.000 1.113 1495 N HN 0.389 nan 8.380 nan 0.000 0.447 1496 c N 3.536 121.907 118.600 -0.381 0.000 2.576 1496 c HA 0.304 4.872 4.570 -0.004 0.000 0.401 1496 c C 0.421 174.010 174.090 -0.836 0.000 1.314 1496 c CA -0.555 55.472 56.329 -0.503 0.000 1.855 1496 c CB -2.195 39.969 42.510 -0.575 0.000 2.537 1496 c HN 0.744 nan 8.230 nan 0.000 0.578 1497 F N 0.959 120.858 119.950 -0.085 0.000 1.381 1497 F HA -0.220 4.304 4.527 -0.004 0.000 0.069 1497 F C -0.419 175.313 175.800 -0.113 0.000 0.139 1497 F CA -0.737 57.194 58.000 -0.116 0.000 0.290 1497 F CB -0.977 37.906 39.000 -0.195 0.000 0.716 1497 F HN 0.520 nan 8.300 nan 0.000 0.664 1498 I N 2.614 123.322 120.570 0.230 0.000 2.517 1498 I HA 0.083 4.251 4.170 -0.004 0.000 0.285 1498 I C 0.611 176.813 176.117 0.142 0.000 1.106 1498 I CA -0.147 61.241 61.300 0.146 0.000 1.402 1498 I CB 0.737 38.853 38.000 0.194 0.000 1.399 1498 I HN 0.563 nan 8.210 nan 0.000 0.535 1499 Q N 8.542 128.405 119.800 0.106 0.000 2.286 1499 Q HA 0.180 4.518 4.340 -0.004 0.000 0.267 1499 Q C 0.149 176.158 176.000 0.016 0.000 1.028 1499 Q CA -0.569 55.294 55.803 0.099 0.000 0.901 1499 Q CB 1.270 30.023 28.738 0.024 0.000 1.183 1499 Q HN 0.526 nan 8.270 nan 0.000 0.392 1504 K N 1.465 121.881 120.400 0.026 0.000 2.172 1504 K HA 0.261 4.578 4.320 -0.004 0.000 0.203 1504 K C 0.969 177.592 176.600 0.038 0.000 1.040 1504 K CA 1.367 57.673 56.287 0.031 0.000 0.974 1504 K CB -0.167 32.356 32.500 0.040 0.000 0.857 1504 K HN 0.481 nan 8.250 nan 0.000 0.464 1505 V N 1.764 121.719 119.914 0.068 0.000 5.726 1505 V HA -0.191 3.927 4.120 -0.004 0.000 0.260 1505 V C -0.284 175.850 176.094 0.066 0.000 0.657 1505 V CA 1.035 63.395 62.300 0.099 0.000 0.584 1505 V CB -3.144 28.714 31.823 0.059 0.000 0.241 1505 V HN 0.391 nan 8.190 nan 0.000 0.652 1506 T N 1.546 116.140 114.554 0.065 0.000 2.813 1506 T HA 0.493 4.841 4.350 -0.004 0.000 0.297 1506 T C 1.247 175.974 174.700 0.044 0.000 1.036 1506 T CA 0.116 62.242 62.100 0.044 0.000 1.044 1506 T CB 2.060 70.951 68.868 0.040 0.000 0.993 1506 T HN 0.529 nan 8.240 nan 0.000 0.535 1507 L N 0.343 121.592 121.223 0.042 0.000 2.093 1507 L HA -0.052 4.285 4.340 -0.004 0.000 0.208 1507 L C 2.442 179.358 176.870 0.077 0.000 1.085 1507 L CA 1.543 56.425 54.840 0.070 0.000 0.755 1507 L CB -0.143 41.958 42.059 0.070 0.000 0.904 1507 L HN 0.656 nan 8.230 nan 0.000 0.435 1508 E N -0.390 119.837 120.200 0.045 0.000 2.418 1508 E HA -0.163 4.185 4.350 -0.004 0.000 0.197 1508 E C 1.945 178.560 176.600 0.025 0.000 1.026 1508 E CA 0.477 56.893 56.400 0.027 0.000 0.862 1508 E CB 0.205 29.913 29.700 0.012 0.000 0.799 1508 E HN 0.408 nan 8.360 nan 0.000 0.518 1509 E N -0.094 120.128 120.200 0.037 0.000 2.042 1509 E HA -0.053 4.295 4.350 -0.004 0.000 0.189 1509 E C 2.046 178.648 176.600 0.004 0.000 0.974 1509 E CA 0.559 56.984 56.400 0.041 0.000 0.806 1509 E CB -0.014 29.736 29.700 0.084 0.000 0.769 1509 E HN 0.219 nan 8.360 nan 0.000 0.451 1510 R N 0.603 121.091 120.500 -0.020 0.000 2.091 1510 R HA -0.077 4.261 4.340 -0.004 0.000 0.238 1510 R C 2.545 178.826 176.300 -0.033 0.000 1.136 1510 R CA 0.963 56.987 56.100 -0.126 0.000 0.959 1510 R CB -0.385 29.743 30.300 -0.286 0.000 0.856 1510 R HN 0.156 nan 8.270 nan 0.000 0.437 1511 L N 0.588 121.866 121.223 0.092 0.000 2.275 1511 L HA -0.150 4.188 4.340 -0.004 0.000 0.215 1511 L C 1.366 178.168 176.870 -0.114 0.000 1.119 1511 L CA 0.793 55.630 54.840 -0.006 0.000 0.790 1511 L CB -0.340 41.715 42.059 -0.007 0.000 0.919 1511 L HN 0.148 nan 8.230 nan 0.000 0.443 1512 D N 0.322 120.669 120.400 -0.088 0.000 2.146 1512 D HA -0.100 4.538 4.640 -0.004 0.000 0.209 1512 D C 2.094 178.315 176.300 -0.132 0.000 0.973 1512 D CA 1.092 55.038 54.000 -0.089 0.000 0.860 1512 D CB -0.021 40.756 40.800 -0.037 0.000 1.015 1512 D HN 0.164 nan 8.370 nan 0.000 0.465 1513 K N 0.675 121.006 120.400 -0.116 0.000 2.288 1513 K HA 0.098 4.416 4.320 -0.004 0.000 0.201 1513 K C 1.802 178.211 176.600 -0.318 0.000 1.048 1513 K CA 0.716 56.965 56.287 -0.062 0.000 0.956 1513 K CB 0.111 32.694 32.500 0.137 0.000 0.746 1513 K HN 0.002 nan 8.250 nan 0.000 0.461 1514 A N 0.276 122.602 122.820 -0.824 0.000 2.167 1514 A HA -0.063 4.254 4.320 -0.004 0.000 0.214 1514 A C 1.729 178.864 177.584 -0.749 0.000 1.151 1514 A CA 0.648 51.768 52.037 -1.528 0.000 0.735 1514 A CB -0.274 17.740 19.000 -1.643 0.000 0.802 1514 A HN 0.349 nan 8.150 nan 0.000 0.467 1515 c N 0.276 118.621 118.600 -0.424 0.000 3.038 1515 c HA 0.231 4.799 4.570 -0.004 0.000 0.279 1515 c C 0.694 174.685 174.090 -0.165 0.000 1.276 1515 c CA -0.833 55.342 56.329 -0.257 0.000 1.697 1515 c CB -1.344 41.052 42.510 -0.190 0.000 2.032 1515 c HN 0.541 nan 8.230 nan 0.000 0.636 1516 E N 2.153 122.262 120.200 -0.151 0.000 2.442 1516 E HA 0.009 4.357 4.350 -0.004 0.000 0.262 1516 E C -1.341 175.230 176.600 -0.049 0.000 1.004 1516 E CA -0.737 55.625 56.400 -0.064 0.000 0.928 1516 E CB 0.544 30.238 29.700 -0.010 0.000 0.937 1516 E HN 0.139 nan 8.360 nan 0.000 0.446 1517 P HA -0.287 nan 4.420 nan 0.000 0.224 1517 P C 1.227 178.529 177.300 0.004 0.000 1.153 1517 P CA 1.925 65.020 63.100 -0.007 0.000 0.947 1517 P CB -0.019 31.686 31.700 0.008 0.000 0.790 1518 G N -1.121 107.691 108.800 0.021 0.000 2.443 1518 G HA2 -0.107 3.851 3.960 -0.004 0.000 0.219 1518 G HA3 -0.107 3.851 3.960 -0.004 0.000 0.219 1518 G C 0.307 175.230 174.900 0.038 0.000 1.131 1518 G CA 0.035 45.161 45.100 0.043 0.000 0.775 1518 G HN 0.232 nan 8.290 nan 0.000 0.547 1519 V N 1.638 121.547 119.914 -0.008 0.000 2.479 1519 V HA -0.003 4.115 4.120 -0.004 0.000 0.284 1519 V C 0.774 176.850 176.094 -0.029 0.000 0.981 1519 V CA 0.896 63.159 62.300 -0.062 0.000 1.139 1519 V CB 0.704 32.406 31.823 -0.202 0.000 0.947 1519 V HN 0.244 nan 8.190 nan 0.000 0.468 1520 D N 3.215 123.647 120.400 0.054 0.000 2.431 1520 D HA 0.223 4.861 4.640 -0.004 0.000 0.213 1520 D C -0.363 176.127 176.300 0.317 0.000 1.130 1520 D CA 0.019 54.143 54.000 0.207 0.000 0.834 1520 D CB 0.376 41.393 40.800 0.363 0.000 0.985 1520 D HN 0.698 nan 8.370 nan 0.000 0.504 1521 Y N -3.067 117.278 120.300 0.074 0.000 2.565 1521 Y HA 0.590 5.138 4.550 -0.004 0.000 0.330 1521 Y C -1.862 173.974 175.900 -0.107 0.000 1.150 1521 Y CA -1.400 56.643 58.100 -0.094 0.000 1.055 1521 Y CB 0.790 39.141 38.460 -0.183 0.000 1.337 1521 Y HN -0.310 nan 8.280 nan 0.000 0.457 1522 V N 3.557 123.395 119.914 -0.126 0.000 2.612 1522 V HA 0.456 4.573 4.120 -0.004 0.000 0.301 1522 V C -1.454 174.719 176.094 0.132 0.000 1.059 1522 V CA -0.782 61.568 62.300 0.084 0.000 0.886 1522 V CB 1.190 33.124 31.823 0.184 0.000 1.007 1522 V HN 0.738 nan 8.190 nan 0.000 0.426 1523 Y N 2.013 122.602 120.300 0.481 0.000 2.549 1523 Y HA 0.604 5.151 4.550 -0.004 0.000 0.339 1523 Y C 0.195 176.274 175.900 0.298 0.000 1.053 1523 Y CA -1.594 56.712 58.100 0.343 0.000 1.105 1523 Y CB 1.764 40.408 38.460 0.308 0.000 1.258 1523 Y HN 0.445 nan 8.280 nan 0.000 0.478 1524 K N 1.707 122.315 120.400 0.347 0.000 2.265 1524 K HA 0.573 4.890 4.320 -0.004 0.000 0.267 1524 K C -1.229 175.421 176.600 0.084 0.000 0.994 1524 K CA -0.344 56.015 56.287 0.120 0.000 0.860 1524 K CB 0.713 33.074 32.500 -0.232 0.000 1.099 1524 K HN 0.893 nan 8.250 nan 0.000 0.448 1525 T N 1.070 115.694 114.554 0.117 0.000 2.900 1525 T HA 0.414 4.762 4.350 -0.004 0.000 0.295 1525 T C -0.656 174.141 174.700 0.162 0.000 1.044 1525 T CA -1.016 61.146 62.100 0.104 0.000 0.995 1525 T CB 1.816 70.723 68.868 0.064 0.000 1.072 1525 T HN 0.581 nan 8.240 nan 0.000 0.473 1526 R N 1.762 122.336 120.500 0.123 0.000 2.338 1526 R HA 0.504 4.842 4.340 -0.004 0.000 0.317 1526 R C -0.979 175.338 176.300 0.029 0.000 0.968 1526 R CA -1.043 55.071 56.100 0.024 0.000 0.849 1526 R CB 0.907 31.198 30.300 -0.015 0.000 1.128 1526 R HN 0.588 nan 8.270 nan 0.000 0.448 1527 L N 6.703 127.961 121.223 0.057 0.000 2.433 1527 L HA 0.073 4.411 4.340 -0.004 0.000 0.284 1527 L C 0.508 177.408 176.870 0.049 0.000 1.120 1527 L CA 0.502 55.397 54.840 0.092 0.000 0.879 1527 L CB 0.924 43.089 42.059 0.177 0.000 1.232 1527 L HN 0.626 nan 8.230 nan 0.000 0.454 1528 V N 3.666 123.609 119.914 0.048 0.000 2.229 1528 V HA -0.068 4.050 4.120 -0.004 0.000 0.243 1528 V C 0.999 177.118 176.094 0.041 0.000 1.042 1528 V CA 1.261 63.581 62.300 0.034 0.000 1.000 1528 V CB -0.477 31.366 31.823 0.035 0.000 0.637 1528 V HN 0.781 nan 8.190 nan 0.000 0.446 1529 K N 0.116 120.550 120.400 0.057 0.000 2.578 1529 K HA 0.473 4.791 4.320 -0.004 0.000 0.250 1529 K C -1.469 175.166 176.600 0.059 0.000 0.955 1529 K CA -0.396 55.920 56.287 0.048 0.000 0.825 1529 K CB 2.026 34.547 32.500 0.034 0.000 1.151 1529 K HN 0.060 nan 8.250 nan 0.000 0.432 1530 V N 4.682 124.629 119.914 0.055 0.000 2.488 1530 V HA 0.198 4.316 4.120 -0.004 0.000 0.277 1530 V C -0.269 175.799 176.094 -0.044 0.000 1.046 1530 V CA -0.120 62.197 62.300 0.027 0.000 0.986 1530 V CB 1.147 33.012 31.823 0.069 0.000 0.989 1530 V HN 0.755 nan 8.190 nan 0.000 0.475 1531 Q N 4.484 124.212 119.800 -0.119 0.000 2.290 1531 Q HA 0.535 4.872 4.340 -0.004 0.000 0.269 1531 Q C -1.410 174.480 176.000 -0.184 0.000 1.016 1531 Q CA -0.733 55.002 55.803 -0.112 0.000 0.754 1531 Q CB 2.384 31.083 28.738 -0.065 0.000 1.247 1531 Q HN 0.528 nan 8.270 nan 0.000 0.451 1532 L N 0.695 121.828 121.223 -0.149 0.000 2.400 1532 L HA 0.702 5.040 4.340 -0.004 0.000 0.264 1532 L C 0.221 177.005 176.870 -0.144 0.000 1.061 1532 L CA -0.045 54.700 54.840 -0.158 0.000 0.799 1532 L CB 1.676 43.672 42.059 -0.106 0.000 1.240 1532 L HN 0.592 nan 8.230 nan 0.000 0.461 1533 S N -1.113 114.501 115.700 -0.143 0.000 2.683 1533 S HA 0.363 4.831 4.470 -0.004 0.000 0.269 1533 S C 0.057 174.585 174.600 -0.119 0.000 1.165 1533 S CA -0.449 57.656 58.200 -0.159 0.000 0.840 1533 S CB 0.870 63.905 63.200 -0.275 0.000 1.169 1533 S HN 0.578 nan 8.310 nan 0.000 0.490 1534 N N 1.257 119.887 118.700 -0.117 0.000 2.305 1534 N HA 0.040 4.777 4.740 -0.004 0.000 0.179 1534 N C 1.225 176.699 175.510 -0.059 0.000 1.019 1534 N CA 1.706 54.714 53.050 -0.070 0.000 0.869 1534 N CB -0.189 38.267 38.487 -0.051 0.000 1.000 1534 N HN 0.688 nan 8.380 nan 0.000 0.431 1535 D N -0.062 120.272 120.400 -0.109 0.000 2.084 1535 D HA -0.091 4.547 4.640 -0.004 0.000 0.199 1535 D C 0.233 176.582 176.300 0.083 0.000 0.981 1535 D CA 0.987 54.968 54.000 -0.033 0.000 0.841 1535 D CB -0.421 40.350 40.800 -0.047 0.000 0.997 1535 D HN 0.349 nan 8.370 nan 0.000 0.454 1536 F N -0.721 119.222 119.950 -0.011 0.000 2.596 1536 F HA 0.471 4.996 4.527 -0.004 0.000 0.311 1536 F C -1.580 174.194 175.800 -0.043 0.000 1.116 1536 F CA -1.654 56.338 58.000 -0.013 0.000 0.957 1536 F CB 1.171 40.171 39.000 -0.000 0.000 1.250 1536 F HN -0.381 nan 8.300 nan 0.000 0.444 1537 D N 2.393 122.857 120.400 0.106 0.000 2.308 1537 D HA 0.158 4.795 4.640 -0.004 0.000 0.251 1537 D C -0.605 175.640 176.300 -0.090 0.000 1.127 1537 D CA -0.107 53.812 54.000 -0.136 0.000 0.876 1537 D CB 1.555 42.148 40.800 -0.344 0.000 1.176 1537 D HN 0.693 nan 8.370 nan 0.000 0.446 1538 E N 1.956 122.081 120.200 -0.124 0.000 1.998 1538 E HA 0.106 4.454 4.350 -0.004 0.000 0.257 1538 E C -0.588 175.974 176.600 -0.063 0.000 1.038 1538 E CA -0.522 55.893 56.400 0.024 0.000 0.869 1538 E CB 0.282 30.040 29.700 0.096 0.000 1.135 1538 E HN 0.347 nan 8.360 nan 0.000 0.430 1539 Y N 1.952 122.340 120.300 0.147 0.000 2.486 1539 Y HA 0.143 4.690 4.550 -0.004 0.000 0.348 1539 Y C 0.305 176.292 175.900 0.145 0.000 1.000 1539 Y CA -0.556 57.610 58.100 0.110 0.000 1.253 1539 Y CB 0.097 38.598 38.460 0.068 0.000 1.140 1539 Y HN 0.365 nan 8.280 nan 0.000 0.526 1540 I N 5.199 125.902 120.570 0.221 0.000 2.325 1540 I HA 0.171 4.339 4.170 -0.004 0.000 0.291 1540 I C -0.240 175.967 176.117 0.149 0.000 1.019 1540 I CA -0.169 61.237 61.300 0.177 0.000 1.302 1540 I CB 0.345 38.413 38.000 0.113 0.000 1.401 1540 I HN 0.428 nan 8.210 nan 0.000 0.485 1541 M N 5.485 125.176 119.600 0.151 0.000 2.364 1541 M HA 0.594 5.072 4.480 -0.004 0.000 0.334 1541 M C -0.106 176.220 176.300 0.043 0.000 1.107 1541 M CA -0.740 54.606 55.300 0.077 0.000 0.988 1541 M CB 1.586 34.200 32.600 0.022 0.000 1.673 1541 M HN 0.586 nan 8.290 nan 0.000 0.441 1542 A N 4.285 127.120 122.820 0.025 0.000 2.304 1542 A HA 0.769 5.087 4.320 -0.004 0.000 0.301 1542 A C -0.235 177.337 177.584 -0.020 0.000 1.132 1542 A CA -0.589 51.450 52.037 0.003 0.000 0.819 1542 A CB 0.390 19.399 19.000 0.015 0.000 1.094 1542 A HN 0.852 nan 8.150 nan 0.000 0.492 1543 I N 2.533 123.068 120.570 -0.058 0.000 2.307 1543 I HA 0.177 4.345 4.170 -0.004 0.000 0.289 1543 I C 0.592 176.683 176.117 -0.044 0.000 1.021 1543 I CA -0.359 60.886 61.300 -0.092 0.000 1.224 1543 I CB 1.253 39.135 38.000 -0.197 0.000 1.376 1543 I HN 0.794 nan 8.210 nan 0.000 0.470 1544 E N 5.287 125.467 120.200 -0.032 0.000 2.021 1544 E HA -0.072 4.276 4.350 -0.004 0.000 0.189 1544 E C 0.275 176.851 176.600 -0.040 0.000 0.980 1544 E CA 1.029 57.396 56.400 -0.056 0.000 0.803 1544 E CB 0.112 29.729 29.700 -0.138 0.000 0.766 1544 E HN 0.760 nan 8.360 nan 0.000 0.449 1545 Q N -0.557 119.239 119.800 -0.008 0.000 2.456 1545 Q HA 0.480 4.817 4.340 -0.004 0.000 0.284 1545 Q C -1.121 174.973 176.000 0.156 0.000 1.061 1545 Q CA -0.722 55.107 55.803 0.044 0.000 0.799 1545 Q CB 1.521 30.269 28.738 0.017 0.000 1.445 1545 Q HN -0.106 nan 8.270 nan 0.000 0.411 1546 T N -0.009 114.655 114.554 0.184 0.000 3.262 1546 T HA 0.382 4.730 4.350 -0.004 0.000 0.374 1546 T C 0.963 175.800 174.700 0.229 0.000 1.504 1546 T CA -0.564 61.727 62.100 0.317 0.000 1.158 1546 T CB -0.388 68.652 68.868 0.287 0.000 1.157 1546 T HN 0.646 nan 8.240 nan 0.000 0.644 1547 I N 0.500 121.210 120.570 0.233 0.000 2.194 1547 I HA -0.101 4.066 4.170 -0.004 0.000 0.246 1547 I C 1.403 177.568 176.117 0.079 0.000 1.093 1547 I CA 1.340 62.726 61.300 0.142 0.000 1.355 1547 I CB 0.033 38.148 38.000 0.191 0.000 1.046 1547 I HN 0.463 nan 8.210 nan 0.000 0.413 1548 K N 0.487 120.946 120.400 0.098 0.000 2.535 1548 K HA 0.362 4.680 4.320 -0.004 0.000 0.250 1548 K C -1.241 175.429 176.600 0.117 0.000 0.948 1548 K CA -0.342 55.979 56.287 0.057 0.000 0.796 1548 K CB 1.911 34.401 32.500 -0.015 0.000 1.216 1548 K HN -0.145 nan 8.250 nan 0.000 0.432 1549 S N 1.075 116.859 115.700 0.140 0.000 2.608 1549 S HA 0.722 5.190 4.470 -0.004 0.000 0.291 1549 S C -0.012 174.690 174.600 0.169 0.000 1.146 1549 S CA -0.514 57.806 58.200 0.201 0.000 1.043 1549 S CB 1.715 65.022 63.200 0.178 0.000 1.037 1549 S HN 0.831 nan 8.310 nan 0.000 0.520 1550 G N 0.402 109.333 108.800 0.218 0.000 3.253 1550 G HA2 0.358 4.315 3.960 -0.004 0.000 0.175 1550 G HA3 0.358 4.315 3.960 -0.004 0.000 0.175 1550 G C 0.859 175.839 174.900 0.133 0.000 1.098 1550 G CA 0.036 45.249 45.100 0.189 0.000 0.790 1550 G HN 0.553 nan 8.290 nan 0.000 0.648 1551 S N -0.500 115.263 115.700 0.104 0.000 2.368 1551 S HA -0.082 4.385 4.470 -0.004 0.000 0.225 1551 S C 0.851 175.392 174.600 -0.099 0.000 1.030 1551 S CA 1.543 59.725 58.200 -0.030 0.000 0.999 1551 S CB -0.420 62.715 63.200 -0.109 0.000 0.844 1551 S HN 0.472 nan 8.310 nan 0.000 0.459 1552 D N 1.781 122.111 120.400 -0.117 0.000 2.344 1552 D HA 0.065 4.702 4.640 -0.004 0.000 0.253 1552 D C -0.254 176.104 176.300 0.096 0.000 1.255 1552 D CA 0.173 54.131 54.000 -0.070 0.000 0.894 1552 D CB 0.417 41.211 40.800 -0.011 0.000 1.067 1552 D HN 0.297 nan 8.370 nan 0.000 0.492 1553 E N 3.119 123.347 120.200 0.047 0.000 2.515 1553 E HA 0.075 4.423 4.350 -0.004 0.000 0.315 1553 E C -0.218 176.430 176.600 0.079 0.000 1.523 1553 E CA -0.335 56.107 56.400 0.071 0.000 1.704 1553 E CB 0.700 30.420 29.700 0.033 0.000 1.395 1553 E HN 0.258 nan 8.360 nan 0.000 0.490 1554 V N 2.331 122.319 119.914 0.123 0.000 2.614 1554 V HA 0.003 4.121 4.120 -0.004 0.000 0.291 1554 V C -0.058 176.073 176.094 0.062 0.000 1.049 1554 V CA -0.077 62.268 62.300 0.076 0.000 1.038 1554 V CB 1.421 33.267 31.823 0.038 0.000 0.980 1554 V HN 0.428 nan 8.190 nan 0.000 0.481 1555 Q N 5.264 125.082 119.800 0.029 0.000 2.274 1555 Q HA 0.483 4.821 4.340 -0.004 0.000 0.260 1555 Q C -0.862 175.141 176.000 0.005 0.000 0.974 1555 Q CA -0.402 55.416 55.803 0.025 0.000 0.876 1555 Q CB 1.883 30.633 28.738 0.020 0.000 1.297 1555 Q HN 0.606 nan 8.270 nan 0.000 0.446 1556 V N 4.081 124.001 119.914 0.010 0.000 2.720 1556 V HA 0.251 4.369 4.120 -0.004 0.000 0.307 1556 V C 1.488 177.576 176.094 -0.010 0.000 1.071 1556 V CA 2.093 64.391 62.300 -0.003 0.000 1.199 1556 V CB 0.148 31.974 31.823 0.005 0.000 0.900 1556 V HN 1.087 nan 8.190 nan 0.000 0.494 1557 G N 3.185 111.974 108.800 -0.019 0.000 2.308 1557 G HA2 -0.207 3.751 3.960 -0.004 0.000 0.221 1557 G HA3 -0.207 3.751 3.960 -0.004 0.000 0.221 1557 G C 0.256 175.147 174.900 -0.014 0.000 1.032 1557 G CA 0.199 45.291 45.100 -0.013 0.000 0.623 1557 G HN 0.651 nan 8.290 nan 0.000 0.506 1558 Q N 0.547 120.335 119.800 -0.019 0.000 2.535 1558 Q HA 0.525 4.863 4.340 -0.004 0.000 0.228 1558 Q C 0.112 176.097 176.000 -0.026 0.000 1.062 1558 Q CA 0.422 56.216 55.803 -0.016 0.000 0.967 1558 Q CB 0.341 29.071 28.738 -0.012 0.000 1.273 1558 Q HN 0.579 nan 8.270 nan 0.000 0.554 1559 Q N 0.763 120.559 119.800 -0.006 0.000 2.353 1559 Q HA 0.473 4.811 4.340 -0.004 0.000 0.268 1559 Q C -0.948 175.066 176.000 0.023 0.000 1.045 1559 Q CA -0.771 55.035 55.803 0.006 0.000 0.811 1559 Q CB 1.814 30.568 28.738 0.028 0.000 1.305 1559 Q HN 0.208 nan 8.270 nan 0.000 0.447 1560 R N 1.131 121.646 120.500 0.025 0.000 2.621 1560 R HA 0.461 4.798 4.340 -0.004 0.000 0.292 1560 R C -0.912 175.474 176.300 0.143 0.000 0.969 1560 R CA -0.655 55.484 56.100 0.065 0.000 0.887 1560 R CB 2.020 32.288 30.300 -0.054 0.000 1.180 1560 R HN 0.547 nan 8.270 nan 0.000 0.450 1561 T N 3.691 118.351 114.554 0.176 0.000 2.729 1561 T HA 0.380 4.727 4.350 -0.004 0.000 0.296 1561 T C -0.057 174.782 174.700 0.231 0.000 0.928 1561 T CA -0.037 62.196 62.100 0.221 0.000 1.045 1561 T CB 0.022 68.997 68.868 0.178 0.000 0.902 1561 T HN 0.150 nan 8.240 nan 0.000 0.500 1562 F N 2.630 122.688 119.950 0.180 0.000 2.377 1562 F HA 0.593 5.118 4.527 -0.004 0.000 0.328 1562 F C 0.564 176.515 175.800 0.252 0.000 1.094 1562 F CA -1.141 56.988 58.000 0.216 0.000 1.093 1562 F CB 0.881 39.965 39.000 0.139 0.000 1.214 1562 F HN 0.335 nan 8.300 nan 0.000 0.518 1563 I N 1.597 122.377 120.570 0.350 0.000 2.533 1563 I HA 0.381 4.548 4.170 -0.004 0.000 0.290 1563 I C -0.701 175.556 176.117 0.233 0.000 1.056 1563 I CA -0.431 61.014 61.300 0.242 0.000 1.057 1563 I CB 2.134 40.145 38.000 0.018 0.000 1.240 1563 I HN 0.427 nan 8.210 nan 0.000 0.423 1564 S N 6.293 122.163 115.700 0.284 0.000 2.546 1564 S HA 0.638 5.106 4.470 -0.004 0.000 0.274 1564 S C -2.718 172.000 174.600 0.197 0.000 1.121 1564 S CA -1.274 57.067 58.200 0.234 0.000 0.887 1564 S CB 2.196 65.606 63.200 0.351 0.000 1.094 1564 S HN 0.195 nan 8.310 nan 0.000 0.474 1565 P HA 0.150 nan 4.420 nan 0.000 0.272 1565 P C 1.151 178.509 177.300 0.096 0.000 1.254 1565 P CA -0.509 62.648 63.100 0.095 0.000 0.795 1565 P CB 0.337 32.052 31.700 0.024 0.000 1.022 1566 I N 1.005 121.615 120.570 0.067 0.000 2.208 1566 I HA -0.247 3.921 4.170 -0.004 0.000 0.245 1566 I C 1.451 177.589 176.117 0.036 0.000 1.097 1566 I CA 2.244 63.569 61.300 0.043 0.000 1.363 1566 I CB -0.548 37.465 38.000 0.022 0.000 1.051 1566 I HN 0.364 nan 8.210 nan 0.000 0.413 1567 K N -0.597 119.815 120.400 0.019 0.000 2.444 1567 K HA 0.056 4.374 4.320 -0.004 0.000 0.193 1567 K C 1.619 178.212 176.600 -0.011 0.000 1.024 1567 K CA 0.656 56.943 56.287 0.001 0.000 1.077 1567 K CB -0.801 31.689 32.500 -0.016 0.000 0.833 1567 K HN 0.219 nan 8.250 nan 0.000 0.517 1568 c N 0.281 118.885 118.600 0.007 0.000 2.590 1568 c HA 0.265 4.833 4.570 -0.004 0.000 0.272 1568 c C 2.422 176.546 174.090 0.057 0.000 1.338 1568 c CA -0.359 55.965 56.329 -0.009 0.000 1.746 1568 c CB -0.686 41.819 42.510 -0.008 0.000 2.020 1568 c HN 0.609 nan 8.230 nan 0.000 0.531 1569 R N 1.696 122.257 120.500 0.101 0.000 2.117 1569 R HA -0.215 4.123 4.340 -0.004 0.000 0.243 1569 R C 2.059 178.410 176.300 0.085 0.000 1.143 1569 R CA 1.774 57.956 56.100 0.137 0.000 0.968 1569 R CB -0.253 30.125 30.300 0.130 0.000 0.863 1569 R HN 0.629 nan 8.270 nan 0.000 0.444 1570 E N -0.787 119.444 120.200 0.051 0.000 2.058 1570 E HA -0.189 4.159 4.350 -0.004 0.000 0.194 1570 E C 1.385 178.009 176.600 0.041 0.000 0.997 1570 E CA 1.449 57.870 56.400 0.034 0.000 0.801 1570 E CB -0.054 29.656 29.700 0.015 0.000 0.746 1570 E HN 0.496 nan 8.360 nan 0.000 0.450 1571 A N -0.234 122.618 122.820 0.053 0.000 2.238 1571 A HA 0.143 4.460 4.320 -0.004 0.000 0.210 1571 A C 1.813 179.534 177.584 0.229 0.000 1.179 1571 A CA -0.059 52.042 52.037 0.107 0.000 0.827 1571 A CB 0.042 19.072 19.000 0.049 0.000 0.856 1571 A HN 0.215 nan 8.150 nan 0.000 0.488 1572 L N -1.382 119.946 121.223 0.176 0.000 2.084 1572 L HA 0.018 4.355 4.340 -0.004 0.000 0.202 1572 L C 0.672 177.505 176.870 -0.062 0.000 1.074 1572 L CA 1.005 55.897 54.840 0.086 0.000 0.757 1572 L CB -0.054 42.003 42.059 -0.003 0.000 0.918 1572 L HN 0.349 nan 8.230 nan 0.000 0.444 1573 K N 0.126 120.516 120.400 -0.016 0.000 3.129 1573 K HA -0.176 4.142 4.320 -0.004 0.000 0.273 1573 K C -0.563 176.027 176.600 -0.017 0.000 1.123 1573 K CA 0.403 56.682 56.287 -0.012 0.000 0.800 1573 K CB -2.388 30.094 32.500 -0.029 0.000 1.238 1573 K HN 0.202 nan 8.250 nan 0.000 0.492 1574 L N 1.272 122.445 121.223 -0.084 0.000 2.530 1574 L HA 0.155 4.493 4.340 -0.004 0.000 0.273 1574 L C 0.710 177.639 176.870 0.099 0.000 1.141 1574 L CA 0.336 55.097 54.840 -0.132 0.000 0.905 1574 L CB 0.324 42.066 42.059 -0.528 0.000 1.202 1574 L HN 0.207 nan 8.230 nan 0.000 0.473 1575 E N 2.346 122.664 120.200 0.196 0.000 2.202 1575 E HA 0.266 4.614 4.350 -0.004 0.000 0.272 1575 E C -0.699 175.987 176.600 0.143 0.000 0.951 1575 E CA -0.745 55.736 56.400 0.136 0.000 0.813 1575 E CB 1.582 31.325 29.700 0.071 0.000 1.151 1575 E HN 0.470 nan 8.360 nan 0.000 0.398 1576 E N 2.207 122.459 120.200 0.086 0.000 2.384 1576 E HA -0.018 4.329 4.350 -0.004 0.000 0.266 1576 E C -0.313 176.293 176.600 0.010 0.000 1.012 1576 E CA 0.381 56.816 56.400 0.059 0.000 0.901 1576 E CB 0.471 30.195 29.700 0.039 0.000 0.967 1576 E HN 0.458 nan 8.360 nan 0.000 0.435 1577 K N 0.875 121.258 120.400 -0.029 0.000 3.193 1577 K HA -0.247 4.070 4.320 -0.004 0.000 0.294 1577 K C -0.521 175.930 176.600 -0.248 0.000 1.185 1577 K CA 0.935 57.141 56.287 -0.135 0.000 0.866 1577 K CB -0.862 31.585 32.500 -0.090 0.000 1.227 1577 K HN 0.405 nan 8.250 nan 0.000 0.467 1578 K N 1.246 121.545 120.400 -0.167 0.000 2.183 1578 K HA 0.219 4.536 4.320 -0.004 0.000 0.274 1578 K C -0.002 176.322 176.600 -0.459 0.000 1.009 1578 K CA -0.629 55.513 56.287 -0.242 0.000 0.888 1578 K CB 0.796 33.236 32.500 -0.100 0.000 1.078 1578 K HN 0.084 nan 8.250 nan 0.000 0.459 1579 H N 1.909 120.786 119.070 -0.322 0.000 2.551 1579 H HA 0.199 4.753 4.556 -0.004 0.000 0.358 1579 H C -0.713 174.331 175.328 -0.473 0.000 1.151 1579 H CA 0.343 56.211 56.048 -0.301 0.000 1.374 1579 H CB 0.656 30.248 29.762 -0.284 0.000 1.473 1579 H HN 0.432 nan 8.280 nan 0.000 0.574 1580 Y N 0.470 120.881 120.300 0.185 0.000 2.504 1580 Y HA 0.172 4.720 4.550 -0.004 0.000 0.344 1580 Y C -0.555 175.502 175.900 0.262 0.000 1.023 1580 Y CA -0.907 57.291 58.100 0.164 0.000 1.020 1580 Y CB 1.713 40.169 38.460 -0.007 0.000 1.282 1580 Y HN 0.360 nan 8.280 nan 0.000 0.454 1581 L N 4.760 126.280 121.223 0.496 0.000 2.264 1581 L HA 0.649 4.986 4.340 -0.004 0.000 0.287 1581 L C -1.276 175.798 176.870 0.340 0.000 1.039 1581 L CA -0.383 54.755 54.840 0.497 0.000 0.829 1581 L CB 0.129 42.478 42.059 0.482 0.000 1.211 1581 L HN 0.599 nan 8.230 nan 0.000 0.427 1582 M N 5.525 125.336 119.600 0.352 0.000 2.326 1582 M HA 0.498 4.975 4.480 -0.004 0.000 0.306 1582 M C -1.552 174.999 176.300 0.417 0.000 1.054 1582 M CA -0.460 55.006 55.300 0.277 0.000 0.922 1582 M CB 1.875 34.567 32.600 0.153 0.000 1.632 1582 M HN 0.692 nan 8.290 nan 0.000 0.436 1583 W N 1.649 123.054 121.300 0.175 0.000 3.033 1583 W HA 0.954 5.612 4.660 -0.004 0.000 0.336 1583 W C -1.073 175.215 176.519 -0.387 0.000 1.173 1583 W CA -0.947 56.201 57.345 -0.330 0.000 1.185 1583 W CB 0.861 30.161 29.460 -0.266 0.000 1.425 1583 W HN 0.810 nan 8.180 nan 0.000 0.536 1584 G N 1.107 109.482 108.800 -0.709 0.000 2.606 1584 G HA2 0.592 4.550 3.960 -0.004 0.000 0.300 1584 G HA3 0.592 4.550 3.960 -0.004 0.000 0.300 1584 G C -1.772 173.064 174.900 -0.106 0.000 1.360 1584 G CA -1.267 43.750 45.100 -0.138 0.000 0.783 1584 G HN 0.768 nan 8.290 nan 0.000 0.484 1585 L N -0.064 121.201 121.223 0.069 0.000 2.448 1585 L HA 0.368 4.705 4.340 -0.004 0.000 0.258 1585 L C 1.651 178.552 176.870 0.052 0.000 1.104 1585 L CA -0.752 54.130 54.840 0.070 0.000 0.800 1585 L CB 1.413 43.514 42.059 0.070 0.000 1.241 1585 L HN 0.550 nan 8.230 nan 0.000 0.472 1586 S N -0.630 115.152 115.700 0.136 0.000 2.461 1586 S HA -0.103 4.364 4.470 -0.004 0.000 0.228 1586 S C 1.723 176.450 174.600 0.212 0.000 1.005 1586 S CA 1.052 59.413 58.200 0.269 0.000 0.942 1586 S CB -0.098 63.272 63.200 0.283 0.000 0.776 1586 S HN 0.806 nan 8.310 nan 0.000 0.514 1587 S N 1.294 117.068 115.700 0.124 0.000 2.603 1587 S HA -0.002 4.466 4.470 -0.004 0.000 0.229 1587 S C 0.421 175.082 174.600 0.101 0.000 0.972 1587 S CA 0.469 58.750 58.200 0.134 0.000 0.935 1587 S CB -0.190 63.072 63.200 0.104 0.000 0.769 1587 S HN 0.269 nan 8.310 nan 0.000 0.536 1588 D N 0.522 120.895 120.400 -0.044 0.000 2.340 1588 D HA 0.249 4.887 4.640 -0.004 0.000 0.217 1588 D C -0.877 175.291 176.300 -0.220 0.000 1.081 1588 D CA -0.115 53.800 54.000 -0.142 0.000 0.842 1588 D CB -0.162 40.546 40.800 -0.153 0.000 0.934 1588 D HN 0.380 nan 8.370 nan 0.000 0.511 1589 F N 0.725 120.729 119.950 0.090 0.000 2.375 1589 F HA 0.228 4.753 4.527 -0.004 0.000 0.362 1589 F C 0.415 176.350 175.800 0.225 0.000 1.129 1589 F CA -0.857 57.140 58.000 -0.006 0.000 1.154 1589 F CB 0.494 39.431 39.000 -0.105 0.000 1.205 1589 F HN -0.091 nan 8.300 nan 0.000 0.513 1590 W N 4.709 126.004 121.300 -0.008 0.000 2.291 1590 W HA 0.528 5.186 4.660 -0.004 0.000 0.312 1590 W C 0.199 176.698 176.519 -0.034 0.000 1.061 1590 W CA -0.543 56.779 57.345 -0.039 0.000 1.296 1590 W CB 1.424 30.828 29.460 -0.093 0.000 1.223 1590 W HN 0.696 nan 8.180 nan 0.000 0.421 1591 G N 2.833 111.565 108.800 -0.114 0.000 2.326 1591 G HA2 -0.137 3.821 3.960 -0.004 0.000 0.413 1591 G HA3 -0.137 3.821 3.960 -0.004 0.000 0.413 1591 G C -0.311 174.514 174.900 -0.125 0.000 1.444 1591 G CA -0.921 44.116 45.100 -0.106 0.000 1.002 1591 G HN 0.371 nan 8.290 nan 0.000 0.649 1592 E N 0.280 120.416 120.200 -0.108 0.000 3.262 1592 E HA 0.346 4.694 4.350 -0.004 0.000 0.485 1592 E C 0.395 176.941 176.600 -0.090 0.000 0.288 1592 E CA 0.096 56.435 56.400 -0.101 0.000 2.824 1592 E CB 0.309 29.959 29.700 -0.083 0.000 2.232 1592 E HN 0.556 nan 8.360 nan 0.000 0.424 1593 K N 1.076 121.434 120.400 -0.070 0.000 2.571 1593 K HA 0.227 4.545 4.320 -0.004 0.000 0.252 1593 K C -2.642 173.935 176.600 -0.039 0.000 0.956 1593 K CA -1.063 55.187 56.287 -0.062 0.000 0.822 1593 K CB 1.614 34.069 32.500 -0.074 0.000 1.286 1593 K HN 0.089 nan 8.250 nan 0.000 0.439 1594 P HA 0.287 nan 4.420 nan 0.000 0.211 1594 P C -0.886 176.412 177.300 -0.003 0.000 1.856 1594 P CA -0.482 62.607 63.100 -0.018 0.000 0.962 1594 P CB 0.109 31.805 31.700 -0.005 0.000 1.785 1595 N N 0.685 119.378 118.700 -0.012 0.000 2.375 1595 N HA 0.100 4.837 4.740 -0.004 0.000 0.220 1595 N C 0.172 175.692 175.510 0.016 0.000 1.170 1595 N CA 0.052 53.105 53.050 0.005 0.000 0.833 1595 N CB -0.075 38.405 38.487 -0.011 0.000 1.069 1595 N HN 0.374 nan 8.380 nan 0.000 0.479 1596 L N 0.640 121.871 121.223 0.014 0.000 2.418 1596 L HA 0.102 4.440 4.340 -0.004 0.000 0.274 1596 L C 0.466 177.386 176.870 0.082 0.000 1.135 1596 L CA 0.328 55.179 54.840 0.018 0.000 0.870 1596 L CB 0.441 42.489 42.059 -0.018 0.000 1.154 1596 L HN -0.055 nan 8.230 nan 0.000 0.462 1597 S N 1.720 117.471 115.700 0.085 0.000 2.599 1597 S HA 0.620 5.088 4.470 -0.004 0.000 0.294 1597 S C -1.225 173.358 174.600 -0.028 0.000 1.094 1597 S CA -0.575 57.687 58.200 0.102 0.000 0.931 1597 S CB 1.526 64.791 63.200 0.108 0.000 1.093 1597 S HN 0.224 nan 8.310 nan 0.000 0.488 1598 Y N 1.058 121.198 120.300 -0.268 0.000 2.328 1598 Y HA 0.497 5.044 4.550 -0.004 0.000 0.333 1598 Y C 0.014 175.741 175.900 -0.288 0.000 0.958 1598 Y CA -0.652 57.131 58.100 -0.528 0.000 1.167 1598 Y CB 0.569 38.110 38.460 -1.532 0.000 1.151 1598 Y HN 0.449 nan 8.280 nan 0.000 0.470 1599 I N 4.974 125.489 120.570 -0.093 0.000 2.395 1599 I HA 0.187 4.355 4.170 -0.004 0.000 0.289 1599 I C 0.094 176.260 176.117 0.082 0.000 1.023 1599 I CA -0.146 61.118 61.300 -0.060 0.000 1.350 1599 I CB 0.872 38.739 38.000 -0.222 0.000 1.409 1599 I HN 0.509 nan 8.210 nan 0.000 0.507 1600 I N 6.506 127.160 120.570 0.140 0.000 2.191 1600 I HA 0.191 4.358 4.170 -0.004 0.000 0.289 1600 I C 1.084 177.248 176.117 0.079 0.000 1.141 1600 I CA -0.117 61.294 61.300 0.185 0.000 1.430 1600 I CB -0.316 37.806 38.000 0.203 0.000 1.497 1600 I HN 0.683 nan 8.210 nan 0.000 0.636 1601 G N 2.993 111.819 108.800 0.044 0.000 2.508 1601 G HA2 0.136 4.094 3.960 -0.004 0.000 0.278 1601 G HA3 0.136 4.094 3.960 -0.004 0.000 0.278 1601 G C 1.018 175.924 174.900 0.010 0.000 1.389 1601 G CA -0.472 44.622 45.100 -0.010 0.000 1.050 1601 G HN 0.639 nan 8.290 nan 0.000 0.522 1602 K N -1.171 119.219 120.400 -0.016 0.000 2.280 1602 K HA -0.036 4.281 4.320 -0.004 0.000 0.202 1602 K C 0.478 177.105 176.600 0.045 0.000 1.047 1602 K CA 1.723 58.004 56.287 -0.012 0.000 0.942 1602 K CB 0.129 32.611 32.500 -0.029 0.000 0.739 1602 K HN 0.289 nan 8.250 nan 0.000 0.457 1603 D N 0.938 121.379 120.400 0.068 0.000 2.369 1603 D HA 0.039 4.676 4.640 -0.004 0.000 0.211 1603 D C -0.227 176.164 176.300 0.152 0.000 1.077 1603 D CA 0.208 54.276 54.000 0.115 0.000 0.842 1603 D CB 0.665 41.525 40.800 0.100 0.000 0.947 1603 D HN 0.100 nan 8.370 nan 0.000 0.509 1604 T N 1.046 115.678 114.554 0.130 0.000 2.856 1604 T HA 0.117 4.464 4.350 -0.004 0.000 0.292 1604 T C -0.485 174.255 174.700 0.068 0.000 0.980 1604 T CA -0.490 61.691 62.100 0.135 0.000 1.091 1604 T CB 1.556 70.540 68.868 0.193 0.000 0.936 1604 T HN 0.111 nan 8.240 nan 0.000 0.503 1605 W N 5.506 126.568 121.300 -0.396 0.000 2.361 1605 W HA 0.614 5.271 4.660 -0.004 0.000 0.314 1605 W C -1.532 174.636 176.519 -0.584 0.000 1.041 1605 W CA -1.068 55.868 57.345 -0.682 0.000 1.241 1605 W CB 0.668 29.175 29.460 -1.588 0.000 1.279 1605 W HN 0.460 nan 8.180 nan 0.000 0.436 1606 V N 6.192 125.728 119.914 -0.631 0.000 2.769 1606 V HA 0.757 4.875 4.120 -0.004 0.000 0.312 1606 V C -1.435 174.218 176.094 -0.736 0.000 1.061 1606 V CA -0.532 61.452 62.300 -0.527 0.000 0.931 1606 V CB 2.002 33.534 31.823 -0.484 0.000 1.010 1606 V HN 0.678 nan 8.190 nan 0.000 0.433 1607 E N 4.113 124.118 120.200 -0.325 0.000 2.381 1607 E HA 0.314 4.662 4.350 -0.004 0.000 0.286 1607 E C -1.713 174.973 176.600 0.144 0.000 0.960 1607 E CA -0.728 55.536 56.400 -0.227 0.000 0.793 1607 E CB 1.382 30.903 29.700 -0.299 0.000 1.225 1607 E HN 1.034 nan 8.360 nan 0.000 0.420 1608 H N 4.632 123.707 119.070 0.008 0.000 2.764 1608 H HA 0.062 4.616 4.556 -0.004 0.000 0.341 1608 H C -1.297 174.008 175.328 -0.037 0.000 1.072 1608 H CA -0.062 55.952 56.048 -0.058 0.000 1.444 1608 H CB 0.739 30.448 29.762 -0.087 0.000 1.458 1608 H HN 0.502 nan 8.280 nan 0.000 0.572 1609 W N 8.505 129.318 121.300 -0.811 0.000 2.391 1609 W HA 0.270 4.928 4.660 -0.004 0.000 0.312 1609 W C -2.742 173.354 176.519 -0.704 0.000 1.003 1609 W CA -2.820 54.193 57.345 -0.554 0.000 1.375 1609 W CB 0.944 30.261 29.460 -0.240 0.000 1.253 1609 W HN 0.585 nan 8.180 nan 0.000 0.416 1610 P HA -0.113 nan 4.420 nan 0.000 0.267 1610 P C -0.024 177.343 177.300 0.113 0.000 1.201 1610 P CA 0.558 63.599 63.100 -0.099 0.000 0.775 1610 P CB 0.791 32.478 31.700 -0.022 0.000 0.854 1611 E N 1.138 121.402 120.200 0.106 0.000 2.422 1611 E HA -0.069 4.279 4.350 -0.004 0.000 0.260 1611 E C 1.140 177.787 176.600 0.079 0.000 1.108 1611 E CA 0.423 56.897 56.400 0.122 0.000 0.943 1611 E CB 0.152 29.915 29.700 0.105 0.000 0.961 1611 E HN 0.363 nan 8.360 nan 0.000 0.443 1612 E N 1.100 121.317 120.200 0.028 0.000 2.097 1612 E HA -0.243 4.104 4.350 -0.004 0.000 0.196 1612 E C 1.094 177.714 176.600 0.033 0.000 1.000 1612 E CA 1.639 58.049 56.400 0.016 0.000 0.804 1612 E CB 0.023 29.706 29.700 -0.027 0.000 0.740 1612 E HN 0.619 nan 8.360 nan 0.000 0.454 1613 D N -0.192 120.227 120.400 0.032 0.000 2.327 1613 D HA -0.122 4.516 4.640 -0.004 0.000 0.205 1613 D C 1.612 177.932 176.300 0.034 0.000 0.989 1613 D CA 0.469 54.487 54.000 0.029 0.000 0.873 1613 D CB -0.194 40.620 40.800 0.024 0.000 0.955 1613 D HN 0.178 nan 8.370 nan 0.000 0.515 1614 E N 0.087 120.313 120.200 0.043 0.000 2.285 1614 E HA -0.068 4.280 4.350 -0.004 0.000 0.194 1614 E C 1.460 178.085 176.600 0.041 0.000 0.997 1614 E CA 0.303 56.729 56.400 0.044 0.000 0.845 1614 E CB 0.001 29.735 29.700 0.057 0.000 0.782 1614 E HN 0.162 nan 8.360 nan 0.000 0.491 1615 c N 1.103 119.731 118.600 0.046 0.000 2.411 1615 c HA -0.109 4.459 4.570 -0.004 0.000 0.279 1615 c C 1.206 175.311 174.090 0.026 0.000 1.288 1615 c CA 0.498 56.850 56.329 0.038 0.000 1.764 1615 c CB -0.805 41.738 42.510 0.055 0.000 1.974 1615 c HN 0.433 nan 8.230 nan 0.000 0.498 1616 Q N 1.164 120.979 119.800 0.026 0.000 2.780 1616 Q HA 0.234 4.572 4.340 -0.004 0.000 0.234 1616 Q C -0.853 175.157 176.000 0.017 0.000 1.355 1616 Q CA 0.488 56.302 55.803 0.020 0.000 0.919 1616 Q CB -0.216 28.534 28.738 0.019 0.000 1.645 1616 Q HN 0.498 nan 8.270 nan 0.000 0.568 1617 D N -0.347 120.062 120.400 0.014 0.000 2.836 1617 D HA 0.032 4.670 4.640 -0.004 0.000 0.215 1617 D C 0.323 176.628 176.300 0.008 0.000 1.255 1617 D CA -0.475 53.533 54.000 0.012 0.000 0.822 1617 D CB 1.151 41.960 40.800 0.015 0.000 1.656 1617 D HN 0.122 nan 8.370 nan 0.000 0.511 1618 E N 1.558 121.762 120.200 0.007 0.000 2.154 1618 E HA -0.251 4.097 4.350 -0.004 0.000 0.240 1618 E C -0.352 176.249 176.600 0.002 0.000 1.059 1618 E CA 1.622 58.024 56.400 0.004 0.000 0.954 1618 E CB 0.106 29.808 29.700 0.004 0.000 0.842 1618 E HN 0.566 nan 8.360 nan 0.000 0.508 1619 E N -0.229 119.972 120.200 0.002 0.000 2.227 1619 E HA 0.150 4.497 4.350 -0.004 0.000 0.282 1619 E C 0.306 176.905 176.600 -0.001 0.000 1.015 1619 E CA 0.612 57.012 56.400 -0.001 0.000 0.823 1619 E CB 0.630 30.329 29.700 -0.001 0.000 1.081 1619 E HN 0.520 nan 8.360 nan 0.000 0.396 1620 N N 1.538 120.233 118.700 -0.008 0.000 2.974 1620 N HA -0.261 4.477 4.740 -0.004 0.000 0.191 1620 N C 0.857 176.353 175.510 -0.023 0.000 0.960 1620 N CA 0.646 53.687 53.050 -0.016 0.000 1.054 1620 N CB -0.702 37.784 38.487 -0.001 0.000 1.002 1620 N HN 0.436 nan 8.380 nan 0.000 0.549 1621 Q N 1.055 120.847 119.800 -0.014 0.000 2.123 1621 Q HA -0.036 4.302 4.340 -0.004 0.000 0.199 1621 Q C 1.303 177.290 176.000 -0.021 0.000 0.966 1621 Q CA 1.541 57.337 55.803 -0.012 0.000 0.845 1621 Q CB 0.059 28.795 28.738 -0.003 0.000 0.907 1621 Q HN 0.615 nan 8.270 nan 0.000 0.439 1622 K N 0.277 120.663 120.400 -0.022 0.000 2.032 1622 K HA -0.218 4.099 4.320 -0.004 0.000 0.209 1622 K C 2.210 178.784 176.600 -0.044 0.000 1.048 1622 K CA 1.640 57.912 56.287 -0.024 0.000 0.927 1622 K CB -0.192 32.297 32.500 -0.019 0.000 0.712 1622 K HN 0.241 nan 8.250 nan 0.000 0.441 1623 Q N 0.745 120.506 119.800 -0.064 0.000 1.990 1623 Q HA -0.168 4.169 4.340 -0.004 0.000 0.200 1623 Q C 2.347 178.247 176.000 -0.168 0.000 0.980 1623 Q CA 1.694 57.429 55.803 -0.112 0.000 0.832 1623 Q CB -0.223 28.443 28.738 -0.119 0.000 0.897 1623 Q HN 0.393 nan 8.270 nan 0.000 0.427 1624 c N 0.954 119.464 118.600 -0.150 0.000 2.391 1624 c HA -0.208 4.360 4.570 -0.004 0.000 0.276 1624 c C 2.808 176.832 174.090 -0.110 0.000 1.217 1624 c CA 1.476 57.710 56.329 -0.159 0.000 1.766 1624 c CB -1.013 41.468 42.510 -0.049 0.000 2.046 1624 c HN 0.648 nan 8.230 nan 0.000 0.475 1625 Q N 0.114 119.879 119.800 -0.059 0.000 2.079 1625 Q HA -0.173 4.165 4.340 -0.004 0.000 0.200 1625 Q C 1.606 177.594 176.000 -0.021 0.000 0.974 1625 Q CA 1.618 57.410 55.803 -0.018 0.000 0.840 1625 Q CB -0.108 28.628 28.738 -0.004 0.000 0.898 1625 Q HN 0.602 nan 8.270 nan 0.000 0.430 1626 D N 0.380 120.750 120.400 -0.051 0.000 2.178 1626 D HA -0.128 4.510 4.640 -0.004 0.000 0.202 1626 D C 1.922 178.201 176.300 -0.035 0.000 0.974 1626 D CA 0.769 54.752 54.000 -0.028 0.000 0.841 1626 D CB -0.104 40.670 40.800 -0.042 0.000 0.953 1626 D HN 0.275 nan 8.370 nan 0.000 0.478 1627 L N 0.420 121.524 121.223 -0.198 0.000 1.976 1627 L HA -0.073 4.264 4.340 -0.004 0.000 0.209 1627 L C 2.614 179.492 176.870 0.013 0.000 1.071 1627 L CA 1.589 56.224 54.840 -0.341 0.000 0.746 1627 L CB -0.877 40.501 42.059 -1.135 0.000 0.890 1627 L HN 0.095 nan 8.230 nan 0.000 0.432 1628 G N -0.618 108.218 108.800 0.059 0.000 2.442 1628 G HA2 -0.239 3.719 3.960 -0.004 0.000 0.219 1628 G HA3 -0.239 3.719 3.960 -0.004 0.000 0.219 1628 G C 1.728 176.719 174.900 0.151 0.000 1.141 1628 G CA 0.821 46.039 45.100 0.196 0.000 0.763 1628 G HN 0.479 nan 8.290 nan 0.000 0.554 1629 A N 0.286 123.174 122.820 0.114 0.000 1.969 1629 A HA 0.131 4.448 4.320 -0.004 0.000 0.218 1629 A C 2.120 179.790 177.584 0.143 0.000 1.169 1629 A CA 1.455 53.556 52.037 0.107 0.000 0.635 1629 A CB -0.431 18.617 19.000 0.080 0.000 0.810 1629 A HN 0.503 nan 8.150 nan 0.000 0.445 1630 F N 1.074 121.035 119.950 0.017 0.000 2.234 1630 F HA -0.069 4.456 4.527 -0.004 0.000 0.296 1630 F C 2.216 178.047 175.800 0.052 0.000 1.089 1630 F CA 1.975 59.986 58.000 0.018 0.000 1.343 1630 F CB -0.404 38.593 39.000 -0.005 0.000 1.040 1630 F HN 0.163 nan 8.300 nan 0.000 0.498 1631 T N -0.063 114.606 114.554 0.191 0.000 2.833 1631 T HA -0.174 4.173 4.350 -0.004 0.000 0.269 1631 T C 1.741 176.424 174.700 -0.028 0.000 1.054 1631 T CA 1.687 63.848 62.100 0.103 0.000 1.135 1631 T CB -0.297 68.763 68.868 0.320 0.000 0.869 1631 T HN 0.421 nan 8.240 nan 0.000 0.466 1632 E N 0.432 120.633 120.200 0.001 0.000 2.112 1632 E HA -0.043 4.304 4.350 -0.004 0.000 0.190 1632 E C 2.461 179.019 176.600 -0.070 0.000 0.979 1632 E CA 0.570 56.949 56.400 -0.034 0.000 0.814 1632 E CB -0.057 29.644 29.700 0.002 0.000 0.762 1632 E HN 0.364 nan 8.360 nan 0.000 0.460 1633 S N 0.250 115.940 115.700 -0.017 0.000 2.368 1633 S HA -0.150 4.318 4.470 -0.004 0.000 0.225 1633 S C 1.976 176.560 174.600 -0.027 0.000 1.030 1633 S CA 1.008 59.268 58.200 0.101 0.000 0.999 1633 S CB 0.012 63.239 63.200 0.045 0.000 0.844 1633 S HN 0.138 nan 8.310 nan 0.000 0.459 1634 M N 0.772 120.219 119.600 -0.255 0.000 2.156 1634 M HA 0.031 4.509 4.480 -0.004 0.000 0.264 1634 M C 2.256 178.450 176.300 -0.177 0.000 1.067 1634 M CA 0.977 56.098 55.300 -0.299 0.000 1.131 1634 M CB -1.359 30.911 32.600 -0.550 0.000 1.368 1634 M HN 0.240 nan 8.290 nan 0.000 0.416 1635 V N -0.357 119.464 119.914 -0.155 0.000 2.307 1635 V HA -0.187 3.930 4.120 -0.004 0.000 0.245 1635 V C 2.501 178.494 176.094 -0.169 0.000 1.045 1635 V CA 1.246 63.475 62.300 -0.117 0.000 1.024 1635 V CB -0.560 31.216 31.823 -0.079 0.000 0.651 1635 V HN 0.172 nan 8.190 nan 0.000 0.449 1636 V N -0.592 119.153 119.914 -0.281 0.000 2.231 1636 V HA -0.166 3.952 4.120 -0.004 0.000 0.240 1636 V C 2.047 177.852 176.094 -0.483 0.000 1.039 1636 V CA 2.331 64.330 62.300 -0.502 0.000 0.998 1636 V CB -0.635 30.630 31.823 -0.931 0.000 0.639 1636 V HN 0.484 nan 8.190 nan 0.000 0.451 1637 F N 0.173 120.078 119.950 -0.076 0.000 2.473 1637 F HA 0.466 4.991 4.527 -0.004 0.000 0.294 1637 F C 1.663 177.412 175.800 -0.086 0.000 1.103 1637 F CA 0.687 58.643 58.000 -0.074 0.000 1.442 1637 F CB -0.711 38.243 39.000 -0.077 0.000 1.097 1637 F HN 0.358 nan 8.300 nan 0.000 0.547 1638 G N 0.106 108.926 108.800 0.033 0.000 2.645 1638 G HA2 -0.290 3.668 3.960 -0.004 0.000 0.246 1638 G HA3 -0.290 3.668 3.960 -0.004 0.000 0.246 1638 G C -0.540 174.336 174.900 -0.040 0.000 1.322 1638 G CA -0.754 44.324 45.100 -0.037 0.000 0.898 1638 G HN 0.337 nan 8.290 nan 0.000 0.573 1639 c N 1.266 119.823 118.600 -0.072 0.000 2.539 1639 c HA 0.542 5.110 4.570 -0.004 0.000 0.392 1639 c C 0.009 174.068 174.090 -0.051 0.000 1.269 1639 c CA 0.129 56.407 56.329 -0.085 0.000 2.250 1639 c CB 1.001 43.445 42.510 -0.111 0.000 2.584 1639 c HN 0.698 nan 8.230 nan 0.000 0.589 1640 P HA 0.039 nan 4.420 nan 0.000 0.241 1640 P C 0.097 177.374 177.300 -0.040 0.000 1.191 1640 P CA 0.547 63.621 63.100 -0.044 0.000 0.771 1640 P CB -0.156 31.511 31.700 -0.055 0.000 0.929 1641 N N 0.000 118.672 118.700 -0.047 0.000 1.763 1641 N HA 0.000 4.738 4.740 -0.004 0.000 0.220 1641 N CA 0.000 53.026 53.050 -0.040 0.000 0.885 1641 N CB 0.000 38.470 38.487 -0.028 0.000 1.341 1641 N HN 0.000 nan 8.380 nan 0.000 0.667