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 1dfc_1_A DATA FIRST_RESID 1008 DATA SEQUENCE EAVQIQFGLI NCGNKYLTAE AFGFKVNASA SSLKKKQIWT LEXXXXXXXX DATA SEQUENCE AAVCLRSHLG RYLAADKDGN VTCEREVPGP DCRFLIVAHD DGRWSLQSEA DATA SEQUENCE HRRYFGGTED RLSCFAQTVS PAEKWSVHIA MHPQVNIYSV TRKRYAHLSA DATA SEQUENCE RPADEIAVDR DVPWGVDSLI TLAFQDQRYS VQTADHRFLR HDGRLVARPE DATA SEQUENCE PATGYTLEFR SGKVAFRDCE GRYLAPSGPS GTLKAGKATK VGKDELFALE DATA SEQUENCE QSCAQVVLQA ANERNVSTXX XMDLSANQDE ETDQETFQLE IDRDTKKCAF DATA SEQUENCE RTHTGKYWTL TATGGVQSTA SSKNASCYFD IEWRDRRITL RASNGKFVTS DATA SEQUENCE KKNGQLAASV ETAGDSELFL MKLINRPIIV FRGEHGFIGC RKVTGTLDAN DATA SEQUENCE RSSYDVFQLE FNDGAYNIKD STGKYWTVGS DSAVTSSGDT PVDFFFEFCD DATA SEQUENCE YNKVAIKVGG RYLKGDHAGV LKASAETVDP ASLWEY 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 1008 E HA 0.000 nan 4.350 nan 0.000 0.291 1008 E C 0.000 176.627 176.600 0.045 0.000 1.382 1008 E CA 0.000 56.430 56.400 0.049 0.000 0.976 1008 E CB 0.000 29.732 29.700 0.054 0.000 0.812 1009 A N 1.978 124.818 122.820 0.034 0.000 2.491 1009 A HA 0.395 4.715 4.320 -0.000 0.000 0.261 1009 A C 0.590 178.196 177.584 0.037 0.000 1.101 1009 A CA 0.149 52.208 52.037 0.037 0.000 0.772 1009 A CB 0.468 19.484 19.000 0.026 0.000 1.043 1009 A HN 0.451 nan 8.150 nan 0.000 0.501 1010 V N 4.589 124.531 119.914 0.046 0.000 2.572 1010 V HA 0.273 4.393 4.120 -0.000 0.000 0.291 1010 V C 0.473 176.574 176.094 0.011 0.000 1.039 1010 V CA 0.018 62.337 62.300 0.032 0.000 1.055 1010 V CB 0.818 32.667 31.823 0.045 0.000 0.969 1010 V HN 0.986 nan 8.190 nan 0.000 0.482 1011 Q N 6.949 126.741 119.800 -0.014 0.000 2.322 1011 Q HA 0.431 4.771 4.340 -0.000 0.000 0.256 1011 Q C -0.518 175.410 176.000 -0.120 0.000 0.960 1011 Q CA -0.874 54.892 55.803 -0.061 0.000 0.934 1011 Q CB 1.226 29.929 28.738 -0.058 0.000 1.200 1011 Q HN 0.676 nan 8.270 nan 0.000 0.435 1012 I N 2.806 123.251 120.570 -0.209 0.000 2.668 1012 I HA -0.032 4.138 4.170 -0.000 0.000 0.285 1012 I C 0.280 176.116 176.117 -0.467 0.000 1.168 1012 I CA 0.686 61.766 61.300 -0.367 0.000 1.424 1012 I CB -0.598 36.973 38.000 -0.716 0.000 1.377 1012 I HN 0.798 nan 8.210 nan 0.000 0.560 1013 Q N 6.560 126.132 119.800 -0.380 0.000 2.305 1013 Q HA 0.687 5.027 4.340 -0.000 0.000 0.271 1013 Q C -1.109 174.751 176.000 -0.234 0.000 1.046 1013 Q CA -0.532 55.032 55.803 -0.398 0.000 0.798 1013 Q CB 3.030 31.658 28.738 -0.184 0.000 1.286 1013 Q HN 0.563 nan 8.270 nan 0.000 0.435 1014 F N -1.256 118.741 119.950 0.078 0.000 3.090 1014 F HA 0.895 5.422 4.527 -0.000 0.000 0.324 1014 F C -0.697 175.216 175.800 0.188 0.000 1.189 1014 F CA -1.511 56.568 58.000 0.132 0.000 0.907 1014 F CB 0.692 39.772 39.000 0.135 0.000 1.445 1014 F HN 0.469 nan 8.300 nan 0.000 0.500 1015 G N 0.657 109.846 108.800 0.649 0.000 2.612 1015 G HA2 0.657 4.617 3.960 -0.000 0.000 0.298 1015 G HA3 0.657 4.617 3.960 -0.000 0.000 0.298 1015 G C -2.442 172.728 174.900 0.450 0.000 1.336 1015 G CA -0.910 44.545 45.100 0.591 0.000 0.953 1015 G HN 0.506 nan 8.290 nan 0.000 0.482 1016 L N 0.753 122.211 121.223 0.391 0.000 2.334 1016 L HA 0.648 4.988 4.340 -0.000 0.000 0.276 1016 L C -0.022 177.033 176.870 0.309 0.000 1.014 1016 L CA -1.120 53.851 54.840 0.218 0.000 0.815 1016 L CB 1.517 43.549 42.059 -0.044 0.000 1.268 1016 L HN 0.410 nan 8.230 nan 0.000 0.428 1017 I N 2.847 123.543 120.570 0.210 0.000 2.509 1017 I HA 0.371 4.541 4.170 -0.000 0.000 0.293 1017 I C -0.199 175.931 176.117 0.021 0.000 1.020 1017 I CA -0.843 60.456 61.300 -0.001 0.000 1.088 1017 I CB 1.928 39.748 38.000 -0.300 0.000 1.267 1017 I HN 0.662 nan 8.210 nan 0.000 0.430 1018 N N 4.060 122.672 118.700 -0.147 0.000 2.448 1018 N HA 0.140 4.880 4.740 -0.000 0.000 0.274 1018 N C 0.961 176.287 175.510 -0.307 0.000 1.239 1018 N CA -0.853 51.911 53.050 -0.477 0.000 0.982 1018 N CB 0.461 38.565 38.487 -0.638 0.000 1.199 1018 N HN 0.793 nan 8.380 nan 0.000 0.576 1019 C N -3.157 115.949 119.300 -0.325 0.000 2.419 1019 C HA 0.202 4.662 4.460 -0.000 0.000 0.283 1019 C C 1.858 176.759 174.990 -0.149 0.000 1.373 1019 C CA 0.258 59.152 59.018 -0.206 0.000 1.781 1019 C CB -1.707 25.919 27.740 -0.191 0.000 1.886 1019 C HN 0.785 nan 8.230 nan 0.000 0.520 1020 G N 0.295 109.008 108.800 -0.145 0.000 3.383 1020 G HA2 0.206 4.166 3.960 -0.000 0.000 0.251 1020 G HA3 0.206 4.166 3.960 -0.000 0.000 0.251 1020 G C 0.282 175.138 174.900 -0.074 0.000 1.203 1020 G CA -0.164 44.882 45.100 -0.091 0.000 0.852 1020 G HN 0.820 nan 8.290 nan 0.000 0.531 1021 N N -0.104 118.534 118.700 -0.103 0.000 2.716 1021 N HA -0.165 4.575 4.740 -0.000 0.000 0.250 1021 N C -0.055 175.412 175.510 -0.071 0.000 1.033 1021 N CA 0.561 53.547 53.050 -0.106 0.000 0.727 1021 N CB -0.247 38.194 38.487 -0.076 0.000 0.950 1021 N HN 0.285 nan 8.380 nan 0.000 0.541 1022 K N 0.409 120.779 120.400 -0.050 0.000 2.258 1022 K HA 0.490 4.810 4.320 -0.000 0.000 0.236 1022 K C -0.632 176.011 176.600 0.072 0.000 1.008 1022 K CA -0.426 55.903 56.287 0.070 0.000 0.869 1022 K CB 0.904 33.464 32.500 0.101 0.000 1.171 1022 K HN 0.039 nan 8.250 nan 0.000 0.447 1023 Y N 0.400 120.821 120.300 0.201 0.000 2.364 1023 Y HA 0.291 4.841 4.550 -0.000 0.000 0.340 1023 Y C 0.463 176.558 175.900 0.325 0.000 0.975 1023 Y CA -0.734 57.527 58.100 0.268 0.000 1.089 1023 Y CB 1.515 40.112 38.460 0.229 0.000 1.192 1023 Y HN 0.340 nan 8.280 nan 0.000 0.454 1024 L N 3.942 125.487 121.223 0.535 0.000 2.601 1024 L HA 0.082 4.422 4.340 -0.000 0.000 0.277 1024 L C -0.512 176.729 176.870 0.618 0.000 1.219 1024 L CA 1.003 56.122 54.840 0.465 0.000 0.915 1024 L CB 0.180 42.306 42.059 0.112 0.000 1.160 1024 L HN 0.725 nan 8.230 nan 0.000 0.494 1025 T N 4.122 118.995 114.554 0.531 0.000 2.876 1025 T HA 0.626 4.976 4.350 -0.000 0.000 0.289 1025 T C -0.554 174.429 174.700 0.471 0.000 1.014 1025 T CA -0.462 61.913 62.100 0.459 0.000 0.986 1025 T CB 1.766 70.814 68.868 0.300 0.000 1.021 1025 T HN 0.703 nan 8.240 nan 0.000 0.458 1026 A N 2.769 125.773 122.820 0.308 0.000 2.293 1026 A HA 0.608 4.928 4.320 -0.000 0.000 0.312 1026 A C 0.152 177.839 177.584 0.172 0.000 1.309 1026 A CA -0.735 51.463 52.037 0.268 0.000 0.839 1026 A CB 0.331 19.367 19.000 0.060 0.000 1.155 1026 A HN 0.661 nan 8.150 nan 0.000 0.501 1027 E N 1.464 121.793 120.200 0.216 0.000 2.415 1027 E HA 0.177 4.527 4.350 -0.000 0.000 0.262 1027 E C 1.262 177.952 176.600 0.149 0.000 1.038 1027 E CA 0.563 57.073 56.400 0.183 0.000 0.921 1027 E CB 1.046 30.916 29.700 0.285 0.000 0.950 1027 E HN 0.681 nan 8.360 nan 0.000 0.438 1028 A N 4.138 127.002 122.820 0.073 0.000 2.168 1028 A HA -0.048 4.272 4.320 -0.000 0.000 0.215 1028 A C 1.113 178.733 177.584 0.061 0.000 1.152 1028 A CA 0.230 52.282 52.037 0.024 0.000 0.716 1028 A CB -0.282 18.698 19.000 -0.032 0.000 0.794 1028 A HN 0.617 nan 8.150 nan 0.000 0.465 1029 F N 0.053 119.970 119.950 -0.055 0.000 2.263 1029 F HA 0.146 4.673 4.527 -0.000 0.000 0.275 1029 F C 1.690 177.386 175.800 -0.172 0.000 1.215 1029 F CA -0.091 57.864 58.000 -0.076 0.000 1.284 1029 F CB 0.225 39.218 39.000 -0.012 0.000 1.509 1029 F HN 0.207 nan 8.300 nan 0.000 0.491 1030 G N 0.937 109.696 108.800 -0.069 0.000 2.909 1030 G HA2 0.109 4.069 3.960 -0.000 0.000 0.269 1030 G HA3 0.109 4.069 3.960 -0.000 0.000 0.269 1030 G C -0.403 174.471 174.900 -0.043 0.000 0.726 1030 G CA -0.364 44.597 45.100 -0.231 0.000 2.082 1030 G HN 0.603 nan 8.290 nan 0.000 0.588 1031 F N -0.747 119.261 119.950 0.096 0.000 2.829 1031 F HA -0.232 4.295 4.527 -0.000 0.000 0.237 1031 F C 1.068 176.941 175.800 0.121 0.000 1.017 1031 F CA 0.686 58.751 58.000 0.107 0.000 0.882 1031 F CB -1.082 37.971 39.000 0.089 0.000 0.795 1031 F HN 0.343 nan 8.300 nan 0.000 0.848 1032 K N 0.220 120.778 120.400 0.264 0.000 2.182 1032 K HA 0.760 5.080 4.320 -0.000 0.000 0.262 1032 K C -0.330 176.436 176.600 0.276 0.000 0.957 1032 K CA -0.952 55.471 56.287 0.227 0.000 0.842 1032 K CB 3.080 35.678 32.500 0.165 0.000 1.099 1032 K HN 0.061 nan 8.250 nan 0.000 0.438 1033 V N 2.410 122.491 119.914 0.278 0.000 2.881 1033 V HA 0.504 4.624 4.120 -0.000 0.000 0.316 1033 V C -1.293 174.967 176.094 0.277 0.000 1.070 1033 V CA -0.360 62.138 62.300 0.330 0.000 0.976 1033 V CB 1.694 33.728 31.823 0.352 0.000 1.038 1033 V HN 1.138 nan 8.190 nan 0.000 0.446 1034 N N 2.812 121.689 118.700 0.295 0.000 3.521 1034 N HA 0.525 5.265 4.740 -0.000 0.000 0.228 1034 N C -1.168 174.511 175.510 0.281 0.000 1.328 1034 N CA -0.074 53.124 53.050 0.247 0.000 0.907 1034 N CB 1.465 40.077 38.487 0.208 0.000 1.487 1034 N HN 0.767 nan 8.380 nan 0.000 0.503 1035 A N 0.293 123.266 122.820 0.255 0.000 3.232 1035 A HA 0.585 4.905 4.320 -0.000 0.000 0.312 1035 A C -0.506 177.198 177.584 0.200 0.000 1.185 1035 A CA -0.460 51.748 52.037 0.284 0.000 1.011 1035 A CB -0.590 18.611 19.000 0.335 0.000 1.096 1035 A HN 0.482 nan 8.150 nan 0.000 0.543 1036 S N 0.850 116.669 115.700 0.197 0.000 2.078 1036 S HA 0.615 5.085 4.470 -0.000 0.000 0.168 1036 S C -0.205 174.493 174.600 0.163 0.000 1.542 1036 S CA 0.079 58.370 58.200 0.152 0.000 1.223 1036 S CB 0.415 63.691 63.200 0.127 0.000 1.152 1036 S HN 1.036 nan 8.310 nan 0.000 0.452 1037 A N 0.833 123.774 122.820 0.202 0.000 2.455 1037 A HA 0.673 4.993 4.320 -0.000 0.000 0.300 1037 A C 0.628 178.372 177.584 0.266 0.000 1.040 1037 A CA -0.688 51.478 52.037 0.215 0.000 0.697 1037 A CB 1.104 20.253 19.000 0.249 0.000 1.265 1037 A HN 0.438 nan 8.150 nan 0.000 0.407 1038 S N 0.292 116.115 115.700 0.206 0.000 2.524 1038 S HA 0.311 4.781 4.470 -0.000 0.000 0.216 1038 S C 0.696 175.477 174.600 0.302 0.000 0.987 1038 S CA 0.567 58.900 58.200 0.222 0.000 0.909 1038 S CB -0.342 62.934 63.200 0.126 0.000 0.781 1038 S HN 1.850 nan 8.310 nan 0.000 0.521 1039 S N 0.855 116.670 115.700 0.192 0.000 2.556 1039 S HA 0.628 5.098 4.470 -0.000 0.000 0.271 1039 S C -1.097 173.212 174.600 -0.486 0.000 1.135 1039 S CA -0.975 57.215 58.200 -0.016 0.000 0.858 1039 S CB 1.330 64.536 63.200 0.010 0.000 1.114 1039 S HN 0.154 nan 8.310 nan 0.000 0.468 1040 L N 2.571 123.303 121.223 -0.819 0.000 2.456 1040 L HA 0.592 4.932 4.340 -0.000 0.000 0.277 1040 L C -0.280 176.400 176.870 -0.317 0.000 1.124 1040 L CA 1.030 55.399 54.840 -0.785 0.000 0.880 1040 L CB -0.853 40.800 42.059 -0.676 0.000 1.192 1040 L HN 0.794 nan 8.230 nan 0.000 0.463 1041 K N 3.406 123.655 120.400 -0.251 0.000 1.998 1041 K HA 0.339 4.659 4.320 -0.000 0.000 0.250 1041 K C 0.874 177.358 176.600 -0.193 0.000 0.935 1041 K CA -0.746 55.450 56.287 -0.152 0.000 0.795 1041 K CB 0.540 32.989 32.500 -0.085 0.000 1.581 1041 K HN 0.213 nan 8.250 nan 0.000 0.493 1042 K N 1.428 121.741 120.400 -0.145 0.000 2.015 1042 K HA -0.134 4.186 4.320 -0.000 0.000 0.216 1042 K C 1.547 177.919 176.600 -0.380 0.000 1.052 1042 K CA 1.919 58.053 56.287 -0.256 0.000 0.937 1042 K CB -0.010 32.522 32.500 0.053 0.000 0.719 1042 K HN 0.254 nan 8.250 nan 0.000 0.446 1043 K N 0.231 120.581 120.400 -0.082 0.000 2.366 1043 K HA -0.081 4.239 4.320 -0.000 0.000 0.198 1043 K C 1.618 178.147 176.600 -0.118 0.000 1.044 1043 K CA 0.800 57.066 56.287 -0.035 0.000 0.973 1043 K CB 0.185 32.708 32.500 0.039 0.000 0.767 1043 K HN 0.110 nan 8.250 nan 0.000 0.475 1044 Q N 0.658 120.387 119.800 -0.118 0.000 2.360 1044 Q HA 0.127 4.467 4.340 -0.000 0.000 0.202 1044 Q C 0.549 176.522 176.000 -0.045 0.000 0.915 1044 Q CA 0.192 55.995 55.803 -0.001 0.000 0.943 1044 Q CB -0.088 28.627 28.738 -0.039 0.000 1.064 1044 Q HN 0.434 nan 8.270 nan 0.000 0.511 1045 I N -2.228 118.176 120.570 -0.276 0.000 2.352 1045 I HA 0.453 4.623 4.170 -0.000 0.000 0.290 1045 I C -0.803 175.102 176.117 -0.354 0.000 1.036 1045 I CA -0.819 60.339 61.300 -0.238 0.000 1.336 1045 I CB 0.474 38.267 38.000 -0.345 0.000 1.407 1045 I HN -0.127 nan 8.210 nan 0.000 0.497 1046 W N 4.215 125.500 121.300 -0.025 0.000 2.606 1046 W HA 0.609 5.269 4.660 -0.000 0.000 0.332 1046 W C 0.167 176.499 176.519 -0.311 0.000 1.052 1046 W CA -0.565 56.742 57.345 -0.064 0.000 1.223 1046 W CB 2.117 31.657 29.460 0.133 0.000 1.383 1046 W HN 0.600 nan 8.180 nan 0.000 0.524 1047 T N 2.163 116.641 114.554 -0.128 0.000 2.807 1047 T HA 0.537 4.887 4.350 -0.000 0.000 0.279 1047 T C -0.611 173.950 174.700 -0.231 0.000 0.993 1047 T CA -0.738 61.189 62.100 -0.289 0.000 0.970 1047 T CB 0.902 69.638 68.868 -0.219 0.000 0.950 1047 T HN 0.273 nan 8.240 nan 0.000 0.441 1048 L N 2.851 123.851 121.223 -0.373 0.000 2.468 1048 L HA 0.583 4.923 4.340 -0.000 0.000 0.253 1048 L C 0.585 177.410 176.870 -0.076 0.000 1.237 1048 L CA 0.704 55.435 54.840 -0.181 0.000 0.823 1048 L CB 0.040 41.928 42.059 -0.285 0.000 1.124 1048 L HN 0.957 nan 8.230 nan 0.000 0.504 1059 A N 0.279 123.067 122.820 -0.054 0.000 2.306 1059 A HA 0.798 5.118 4.320 -0.000 0.000 0.330 1059 A C 0.364 177.938 177.584 -0.017 0.000 1.146 1059 A CA 0.154 52.161 52.037 -0.051 0.000 0.827 1059 A CB 0.858 19.811 19.000 -0.079 0.000 1.178 1059 A HN 1.581 nan 8.150 nan 0.000 0.490 1060 V N -2.101 117.821 119.914 0.014 0.000 3.267 1060 V HA 0.825 4.945 4.120 -0.000 0.000 0.317 1060 V C -0.166 175.995 176.094 0.112 0.000 1.131 1060 V CA -0.915 61.420 62.300 0.059 0.000 1.031 1060 V CB 1.158 33.024 31.823 0.071 0.000 1.159 1060 V HN 0.951 nan 8.190 nan 0.000 0.454 1061 C N 1.486 120.881 119.300 0.159 0.000 2.609 1061 C HA 0.723 5.183 4.460 -0.000 0.000 0.313 1061 C C -0.795 174.347 174.990 0.253 0.000 1.175 1061 C CA -0.433 58.745 59.018 0.265 0.000 1.434 1061 C CB 1.039 28.989 27.740 0.350 0.000 2.005 1061 C HN 0.786 nan 8.230 nan 0.000 0.471 1062 L N 4.420 125.800 121.223 0.260 0.000 2.283 1062 L HA 0.468 4.808 4.340 -0.000 0.000 0.281 1062 L C 0.478 177.473 176.870 0.209 0.000 1.033 1062 L CA 0.166 55.144 54.840 0.231 0.000 0.848 1062 L CB 0.069 42.196 42.059 0.114 0.000 1.226 1062 L HN 0.488 nan 8.230 nan 0.000 0.429 1063 R N 1.494 121.965 120.500 -0.047 0.000 2.265 1063 R HA 0.362 4.702 4.340 -0.000 0.000 0.314 1063 R C 0.367 176.540 176.300 -0.210 0.000 1.053 1063 R CA -0.076 55.804 56.100 -0.367 0.000 0.931 1063 R CB 1.443 31.431 30.300 -0.521 0.000 1.024 1063 R HN 0.759 nan 8.270 nan 0.000 0.457 1064 S N 1.754 117.258 115.700 -0.327 0.000 2.634 1064 S HA 0.050 4.520 4.470 -0.000 0.000 0.261 1064 S C 0.747 175.086 174.600 -0.436 0.000 1.271 1064 S CA -0.406 57.336 58.200 -0.762 0.000 0.985 1064 S CB 0.676 63.496 63.200 -0.632 0.000 0.968 1064 S HN 0.751 nan 8.310 nan 0.000 0.568 1065 H N 0.234 118.962 119.070 -0.570 0.000 3.262 1065 H HA 0.345 4.901 4.556 -0.000 0.000 0.270 1065 H C -0.059 175.143 175.328 -0.209 0.000 1.431 1065 H CA 0.088 55.932 56.048 -0.339 0.000 1.237 1065 H CB -0.323 29.255 29.762 -0.308 0.000 1.443 1065 H HN 0.515 nan 8.280 nan 0.000 0.609 1066 L N -0.907 120.205 121.223 -0.185 0.000 4.114 1066 L HA 0.161 4.501 4.340 -0.000 0.000 0.398 1066 L C 1.352 178.179 176.870 -0.072 0.000 1.159 1066 L CA 0.718 55.488 54.840 -0.117 0.000 1.399 1066 L CB 0.849 42.904 42.059 -0.006 0.000 1.605 1066 L HN 0.475 nan 8.230 nan 0.000 0.629 1067 G N 0.769 109.494 108.800 -0.125 0.000 2.179 1067 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.260 1067 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.260 1067 G C 0.372 175.220 174.900 -0.087 0.000 0.977 1067 G CA 0.370 45.406 45.100 -0.105 0.000 0.641 1067 G HN 0.298 nan 8.290 nan 0.000 0.533 1068 R N -0.750 119.702 120.500 -0.080 0.000 2.532 1068 R HA 0.600 4.940 4.340 -0.000 0.000 0.295 1068 R C -0.437 175.849 176.300 -0.023 0.000 0.968 1068 R CA -0.817 55.290 56.100 0.012 0.000 0.916 1068 R CB 0.932 31.222 30.300 -0.017 0.000 1.124 1068 R HN 0.241 nan 8.270 nan 0.000 0.463 1069 Y N 1.642 121.988 120.300 0.076 0.000 2.309 1069 Y HA 0.138 4.688 4.550 -0.000 0.000 0.327 1069 Y C 0.491 176.501 175.900 0.184 0.000 1.172 1069 Y CA -0.603 57.582 58.100 0.141 0.000 1.280 1069 Y CB 0.664 39.176 38.460 0.087 0.000 1.234 1069 Y HN 0.348 nan 8.280 nan 0.000 0.512 1070 L N 3.219 124.656 121.223 0.357 0.000 2.426 1070 L HA 0.571 4.911 4.340 -0.000 0.000 0.271 1070 L C -0.235 176.836 176.870 0.336 0.000 1.169 1070 L CA 0.241 55.239 54.840 0.263 0.000 0.836 1070 L CB 0.133 42.175 42.059 -0.028 0.000 1.112 1070 L HN 0.737 nan 8.230 nan 0.000 0.465 1071 A N 4.006 127.009 122.820 0.304 0.000 2.539 1071 A HA 0.944 5.264 4.320 -0.000 0.000 0.296 1071 A C -1.421 176.361 177.584 0.329 0.000 1.073 1071 A CA -0.145 52.056 52.037 0.273 0.000 0.700 1071 A CB 1.608 20.712 19.000 0.172 0.000 1.296 1071 A HN 1.200 nan 8.150 nan 0.000 0.405 1072 A N 1.770 124.760 122.820 0.284 0.000 2.402 1072 A HA 0.672 4.992 4.320 -0.000 0.000 0.291 1072 A C -0.740 176.986 177.584 0.237 0.000 1.051 1072 A CA -0.312 51.918 52.037 0.321 0.000 0.716 1072 A CB 0.755 20.040 19.000 0.475 0.000 1.223 1072 A HN 1.074 nan 8.150 nan 0.000 0.425 1073 D N 1.695 122.162 120.400 0.112 0.000 2.478 1073 D HA 0.263 4.903 4.640 -0.000 0.000 0.269 1073 D C 0.814 176.803 176.300 -0.518 0.000 1.232 1073 D CA -0.438 53.509 54.000 -0.088 0.000 1.059 1073 D CB 0.621 41.410 40.800 -0.018 0.000 1.104 1073 D HN 0.133 nan 8.370 nan 0.000 0.566 1074 K N -0.741 119.244 120.400 -0.692 0.000 2.148 1074 K HA -0.069 4.251 4.320 -0.000 0.000 0.204 1074 K C 0.729 177.237 176.600 -0.154 0.000 1.050 1074 K CA 0.937 56.857 56.287 -0.611 0.000 0.942 1074 K CB -0.380 31.938 32.500 -0.303 0.000 0.724 1074 K HN 0.445 nan 8.250 nan 0.000 0.446 1075 D N -0.585 119.800 120.400 -0.024 0.000 2.363 1075 D HA 0.034 4.674 4.640 -0.000 0.000 0.226 1075 D C 1.054 177.519 176.300 0.274 0.000 1.020 1075 D CA 0.821 54.904 54.000 0.139 0.000 0.892 1075 D CB 0.318 41.164 40.800 0.077 0.000 0.900 1075 D HN 0.401 nan 8.370 nan 0.000 0.531 1076 G N 0.585 109.529 108.800 0.240 0.000 2.194 1076 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.236 1076 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.236 1076 G C 0.234 175.271 174.900 0.227 0.000 0.987 1076 G CA -0.485 44.813 45.100 0.330 0.000 0.635 1076 G HN 0.249 nan 8.290 nan 0.000 0.520 1077 N N 0.428 119.223 118.700 0.159 0.000 2.483 1077 N HA 0.328 5.068 4.740 -0.000 0.000 0.264 1077 N C -0.050 175.581 175.510 0.201 0.000 1.197 1077 N CA 0.709 53.848 53.050 0.148 0.000 0.927 1077 N CB 2.304 40.855 38.487 0.107 0.000 1.065 1077 N HN 0.594 nan 8.380 nan 0.000 0.461 1078 V N 2.220 122.268 119.914 0.223 0.000 2.378 1078 V HA 0.509 4.629 4.120 -0.000 0.000 0.288 1078 V C 0.267 176.506 176.094 0.242 0.000 1.016 1078 V CA -0.297 62.180 62.300 0.295 0.000 0.840 1078 V CB 0.984 33.061 31.823 0.422 0.000 0.994 1078 V HN 0.881 nan 8.190 nan 0.000 0.431 1079 T N 2.549 117.240 114.554 0.228 0.000 2.841 1079 T HA 0.577 4.927 4.350 -0.000 0.000 0.276 1079 T C -0.131 174.702 174.700 0.222 0.000 1.003 1079 T CA -0.267 61.953 62.100 0.200 0.000 0.995 1079 T CB 1.625 70.582 68.868 0.148 0.000 1.260 1079 T HN 1.274 nan 8.240 nan 0.000 0.581 1080 C N 0.721 120.142 119.300 0.202 0.000 2.616 1080 C HA 0.468 4.928 4.460 -0.000 0.000 0.243 1080 C C 0.406 175.456 174.990 0.100 0.000 1.108 1080 C CA -0.277 58.872 59.018 0.219 0.000 0.879 1080 C CB -1.301 26.643 27.740 0.340 0.000 1.791 1080 C HN 1.113 nan 8.230 nan 0.000 0.716 1081 E N 0.650 120.823 120.200 -0.045 0.000 2.500 1081 E HA 0.206 4.556 4.350 -0.000 0.000 0.217 1081 E C 0.394 176.810 176.600 -0.306 0.000 0.848 1081 E CA -0.309 55.835 56.400 -0.427 0.000 1.217 1081 E CB 0.319 29.772 29.700 -0.412 0.000 1.217 1081 E HN 0.541 nan 8.360 nan 0.000 0.573 1082 R N 2.135 122.591 120.500 -0.074 0.000 2.484 1082 R HA -0.023 4.317 4.340 -0.000 0.000 0.293 1082 R C 0.663 176.998 176.300 0.058 0.000 1.023 1082 R CA 0.536 56.626 56.100 -0.016 0.000 1.037 1082 R CB 0.299 30.619 30.300 0.034 0.000 0.951 1082 R HN 0.391 nan 8.270 nan 0.000 0.418 1083 E N 1.120 121.328 120.200 0.014 0.000 2.474 1083 E HA 0.063 4.413 4.350 -0.000 0.000 0.195 1083 E C 0.239 176.890 176.600 0.086 0.000 1.039 1083 E CA -0.106 56.349 56.400 0.092 0.000 0.881 1083 E CB 0.666 30.381 29.700 0.024 0.000 0.970 1083 E HN 0.189 nan 8.360 nan 0.000 0.486 1084 V N 1.536 121.422 119.914 -0.047 0.000 2.686 1084 V HA 0.351 4.471 4.120 -0.000 0.000 0.306 1084 V C -2.818 173.046 176.094 -0.384 0.000 1.065 1084 V CA -2.561 59.613 62.300 -0.209 0.000 0.894 1084 V CB 2.060 33.809 31.823 -0.122 0.000 1.004 1084 V HN -0.067 nan 8.190 nan 0.000 0.424 1085 P HA 0.338 nan 4.420 nan 0.000 0.262 1085 P C -0.072 177.060 177.300 -0.279 0.000 1.182 1085 P CA 0.702 63.453 63.100 -0.581 0.000 0.761 1085 P CB 0.479 31.845 31.700 -0.556 0.000 0.795 1086 G N 3.702 112.384 108.800 -0.196 0.000 2.605 1086 G HA2 0.438 4.398 3.960 -0.000 0.000 0.296 1086 G HA3 0.438 4.398 3.960 -0.000 0.000 0.296 1086 G C -2.091 172.732 174.900 -0.129 0.000 1.304 1086 G CA -1.380 43.642 45.100 -0.130 0.000 0.941 1086 G HN 0.159 nan 8.290 nan 0.000 0.475 1087 P HA -0.146 nan 4.420 nan 0.000 0.217 1087 P C 0.463 177.639 177.300 -0.207 0.000 1.151 1087 P CA 1.146 64.153 63.100 -0.156 0.000 0.849 1087 P CB 0.341 31.962 31.700 -0.132 0.000 0.787 1088 D N -1.537 118.781 120.400 -0.136 0.000 2.332 1088 D HA 0.007 4.647 4.640 -0.000 0.000 0.244 1088 D C 0.640 176.841 176.300 -0.165 0.000 1.136 1088 D CA 0.380 54.317 54.000 -0.105 0.000 0.884 1088 D CB -0.748 40.087 40.800 0.059 0.000 0.906 1088 D HN 0.196 nan 8.370 nan 0.000 0.520 1089 C N 0.342 119.516 119.300 -0.209 0.000 3.525 1089 C HA 0.237 4.697 4.460 -0.000 0.000 0.289 1089 C C 0.346 175.200 174.990 -0.227 0.000 1.496 1089 C CA -0.573 58.362 59.018 -0.138 0.000 1.804 1089 C CB -0.061 27.680 27.740 0.001 0.000 2.708 1089 C HN 0.092 nan 8.230 nan 0.000 0.642 1090 R N 1.245 121.508 120.500 -0.396 0.000 2.230 1090 R HA 0.502 4.842 4.340 -0.000 0.000 0.337 1090 R C -1.073 174.952 176.300 -0.459 0.000 1.063 1090 R CA 0.142 56.059 56.100 -0.304 0.000 0.935 1090 R CB 0.290 30.453 30.300 -0.228 0.000 1.121 1090 R HN 0.259 nan 8.270 nan 0.000 0.486 1091 F N 1.459 121.344 119.950 -0.108 0.000 2.410 1091 F HA 0.487 5.014 4.527 -0.000 0.000 0.324 1091 F C 0.670 176.375 175.800 -0.157 0.000 1.093 1091 F CA -1.049 56.862 58.000 -0.147 0.000 1.028 1091 F CB 1.003 39.879 39.000 -0.207 0.000 1.309 1091 F HN 0.107 nan 8.300 nan 0.000 0.499 1092 L N 2.412 123.648 121.223 0.022 0.000 2.342 1092 L HA 0.451 4.791 4.340 -0.000 0.000 0.276 1092 L C -0.657 176.104 176.870 -0.183 0.000 0.997 1092 L CA -0.368 54.417 54.840 -0.092 0.000 0.838 1092 L CB 1.269 43.267 42.059 -0.102 0.000 1.224 1092 L HN 0.414 nan 8.230 nan 0.000 0.416 1093 I N 3.329 123.721 120.570 -0.296 0.000 2.634 1093 I HA 0.162 4.332 4.170 -0.000 0.000 0.284 1093 I C -0.173 175.676 176.117 -0.446 0.000 1.124 1093 I CA -0.197 60.775 61.300 -0.548 0.000 1.417 1093 I CB 1.290 38.695 38.000 -0.991 0.000 1.396 1093 I HN 0.239 nan 8.210 nan 0.000 0.571 1094 V N 5.884 125.547 119.914 -0.420 0.000 2.487 1094 V HA 0.524 4.644 4.120 -0.000 0.000 0.298 1094 V C 0.150 176.041 176.094 -0.338 0.000 1.028 1094 V CA -0.641 61.452 62.300 -0.346 0.000 0.860 1094 V CB 1.653 33.254 31.823 -0.371 0.000 0.991 1094 V HN 0.837 nan 8.190 nan 0.000 0.427 1095 A N 4.534 127.236 122.820 -0.196 0.000 2.260 1095 A HA 0.650 4.970 4.320 -0.000 0.000 0.308 1095 A C -0.293 177.281 177.584 -0.017 0.000 1.254 1095 A CA -0.438 51.616 52.037 0.029 0.000 0.874 1095 A CB 0.091 19.183 19.000 0.154 0.000 1.153 1095 A HN 0.858 nan 8.150 nan 0.000 0.527 1096 H N 2.033 121.218 119.070 0.192 0.000 2.502 1096 H HA 0.064 4.620 4.556 -0.000 0.000 0.327 1096 H C 0.867 176.257 175.328 0.104 0.000 1.099 1096 H CA 0.193 56.323 56.048 0.136 0.000 1.323 1096 H CB 1.560 31.404 29.762 0.138 0.000 1.450 1096 H HN 1.032 nan 8.280 nan 0.000 0.502 1097 D N 2.434 122.960 120.400 0.210 0.000 3.691 1097 D HA -0.281 4.359 4.640 -0.000 0.000 0.228 1097 D C 0.627 176.981 176.300 0.089 0.000 1.236 1097 D CA 2.439 56.504 54.000 0.109 0.000 0.888 1097 D CB 0.264 41.111 40.800 0.079 0.000 0.969 1097 D HN 0.615 nan 8.370 nan 0.000 0.560 1098 D N -1.734 118.721 120.400 0.092 0.000 2.504 1098 D HA 0.233 4.873 4.640 -0.000 0.000 0.276 1098 D C 1.353 177.702 176.300 0.082 0.000 1.073 1098 D CA 0.806 54.843 54.000 0.062 0.000 0.905 1098 D CB -0.379 40.435 40.800 0.023 0.000 1.350 1098 D HN 0.306 nan 8.370 nan 0.000 0.496 1099 G N 1.002 109.864 108.800 0.103 0.000 2.226 1099 G HA2 0.052 4.012 3.960 -0.000 0.000 0.166 1099 G HA3 0.052 4.012 3.960 -0.000 0.000 0.166 1099 G C 0.683 175.681 174.900 0.165 0.000 1.629 1099 G CA 0.881 46.044 45.100 0.105 0.000 1.008 1099 G HN 0.183 nan 8.290 nan 0.000 0.410 1100 R N -2.969 117.677 120.500 0.244 0.000 2.787 1100 R HA 0.516 4.856 4.340 -0.000 0.000 0.097 1100 R C -0.816 175.801 176.300 0.528 0.000 0.862 1100 R CA -0.729 55.538 56.100 0.279 0.000 0.681 1100 R CB -0.140 30.249 30.300 0.149 0.000 0.589 1100 R HN 0.471 nan 8.270 nan 0.000 0.348 1101 W N -0.110 121.324 121.300 0.224 0.000 2.578 1101 W HA 0.783 5.443 4.660 -0.000 0.000 0.353 1101 W C -0.386 176.298 176.519 0.275 0.000 1.088 1101 W CA -1.179 56.272 57.345 0.177 0.000 1.235 1101 W CB 1.734 31.244 29.460 0.083 0.000 1.362 1101 W HN 0.202 nan 8.180 nan 0.000 0.592 1102 S N 1.953 117.846 115.700 0.321 0.000 2.776 1102 S HA 0.446 4.916 4.470 -0.000 0.000 0.284 1102 S C -1.542 173.048 174.600 -0.016 0.000 1.160 1102 S CA -0.556 57.804 58.200 0.266 0.000 1.051 1102 S CB 0.080 63.511 63.200 0.385 0.000 1.037 1102 S HN 0.164 nan 8.310 nan 0.000 0.485 1103 L N 4.564 125.788 121.223 0.002 0.000 2.268 1103 L HA 0.475 4.815 4.340 -0.000 0.000 0.289 1103 L C 0.514 177.325 176.870 -0.098 0.000 1.064 1103 L CA 0.266 55.025 54.840 -0.134 0.000 0.824 1103 L CB 0.539 42.376 42.059 -0.370 0.000 1.202 1103 L HN 0.715 nan 8.230 nan 0.000 0.433 1104 Q N 1.666 121.350 119.800 -0.194 0.000 2.241 1104 Q HA 0.262 4.602 4.340 -0.000 0.000 0.254 1104 Q C -0.069 175.974 176.000 0.072 0.000 0.917 1104 Q CA -0.359 55.307 55.803 -0.228 0.000 0.919 1104 Q CB 1.501 29.959 28.738 -0.467 0.000 1.237 1104 Q HN 0.617 nan 8.270 nan 0.000 0.434 1105 S N 3.031 118.824 115.700 0.155 0.000 2.466 1105 S HA -0.056 4.414 4.470 -0.000 0.000 0.286 1105 S C 0.906 175.433 174.600 -0.122 0.000 1.221 1105 S CA 0.078 58.265 58.200 -0.022 0.000 1.091 1105 S CB 0.550 63.815 63.200 0.109 0.000 0.956 1105 S HN 0.880 nan 8.310 nan 0.000 0.501 1106 E N 4.968 125.022 120.200 -0.243 0.000 2.023 1106 E HA -0.189 4.161 4.350 -0.000 0.000 0.196 1106 E C 2.065 178.531 176.600 -0.223 0.000 1.003 1106 E CA 1.433 57.717 56.400 -0.193 0.000 0.809 1106 E CB -0.417 29.157 29.700 -0.209 0.000 0.755 1106 E HN 0.884 nan 8.360 nan 0.000 0.449 1107 A N 1.422 124.018 122.820 -0.373 0.000 1.849 1107 A HA -0.209 4.111 4.320 -0.000 0.000 0.217 1107 A C 1.933 179.243 177.584 -0.458 0.000 1.202 1107 A CA 1.950 53.677 52.037 -0.517 0.000 0.629 1107 A CB -0.990 17.475 19.000 -0.892 0.000 0.834 1107 A HN 0.480 nan 8.150 nan 0.000 0.447 1108 H N -2.606 116.433 119.070 -0.052 0.000 2.539 1108 H HA 0.230 4.785 4.556 -0.000 0.000 0.269 1108 H C 0.791 176.122 175.328 0.005 0.000 0.980 1108 H CA 0.765 56.802 56.048 -0.018 0.000 1.152 1108 H CB 0.248 30.008 29.762 -0.003 0.000 1.407 1108 H HN 0.445 nan 8.280 nan 0.000 0.564 1109 R N -0.027 120.523 120.500 0.084 0.000 3.977 1109 R HA -0.145 4.195 4.340 -0.000 0.000 0.428 1109 R C 0.023 176.465 176.300 0.236 0.000 1.079 1109 R CA 0.603 56.780 56.100 0.127 0.000 1.269 1109 R CB -0.973 29.378 30.300 0.085 0.000 1.856 1109 R HN 0.185 nan 8.270 nan 0.000 0.551 1110 R N -0.126 120.515 120.500 0.235 0.000 2.546 1110 R HA 0.337 4.677 4.340 -0.000 0.000 0.266 1110 R C -0.079 176.546 176.300 0.541 0.000 1.086 1110 R CA -0.340 55.933 56.100 0.289 0.000 1.160 1110 R CB 0.067 30.438 30.300 0.117 0.000 1.138 1110 R HN -0.068 nan 8.270 nan 0.000 0.567 1111 Y N 0.057 120.461 120.300 0.173 0.000 2.334 1111 Y HA 0.263 4.812 4.550 -0.000 0.000 0.328 1111 Y C 0.331 176.431 175.900 0.334 0.000 1.130 1111 Y CA -1.565 56.685 58.100 0.250 0.000 1.163 1111 Y CB 0.554 39.136 38.460 0.202 0.000 1.207 1111 Y HN 0.368 nan 8.280 nan 0.000 0.471 1112 F N 1.908 122.018 119.950 0.266 0.000 2.443 1112 F HA 0.571 5.098 4.527 -0.000 0.000 0.353 1112 F C 0.549 176.589 175.800 0.400 0.000 1.101 1112 F CA 0.608 58.749 58.000 0.235 0.000 1.226 1112 F CB 0.325 39.309 39.000 -0.026 0.000 1.140 1112 F HN 0.560 nan 8.300 nan 0.000 0.557 1113 G N 1.584 110.259 108.800 -0.208 0.000 2.348 1113 G HA2 0.564 4.524 3.960 -0.000 0.000 0.296 1113 G HA3 0.564 4.524 3.960 -0.000 0.000 0.296 1113 G C -0.710 174.107 174.900 -0.138 0.000 1.258 1113 G CA 0.168 45.259 45.100 -0.014 0.000 0.868 1113 G HN 1.644 nan 8.290 nan 0.000 0.488 1114 G N -2.308 106.420 108.800 -0.120 0.000 2.422 1114 G HA2 0.499 4.459 3.960 -0.000 0.000 0.607 1114 G HA3 0.499 4.459 3.960 -0.000 0.000 0.607 1114 G C -0.318 174.508 174.900 -0.123 0.000 1.270 1114 G CA 0.765 45.808 45.100 -0.096 0.000 0.992 1114 G HN 1.801 nan 8.290 nan 0.000 0.499 1115 T N -1.208 113.307 114.554 -0.065 0.000 2.742 1115 T HA 0.585 4.935 4.350 -0.000 0.000 0.282 1115 T C 1.263 175.969 174.700 0.010 0.000 1.025 1115 T CA 0.966 63.033 62.100 -0.054 0.000 1.020 1115 T CB 1.258 70.091 68.868 -0.058 0.000 1.317 1115 T HN 0.966 nan 8.240 nan 0.000 0.538 1116 E N 1.017 121.231 120.200 0.023 0.000 3.111 1116 E HA -0.294 4.056 4.350 -0.000 0.000 0.309 1116 E C 1.141 177.791 176.600 0.084 0.000 1.044 1116 E CA 2.911 59.347 56.400 0.059 0.000 1.243 1116 E CB -0.641 29.086 29.700 0.045 0.000 1.299 1116 E HN 0.850 nan 8.360 nan 0.000 0.434 1117 D N -0.664 119.778 120.400 0.070 0.000 2.305 1117 D HA 0.014 4.653 4.640 -0.000 0.000 0.206 1117 D C 0.211 176.555 176.300 0.073 0.000 0.974 1117 D CA 0.560 54.609 54.000 0.082 0.000 0.871 1117 D CB -0.033 40.810 40.800 0.071 0.000 0.947 1117 D HN 0.103 nan 8.370 nan 0.000 0.516 1118 R N 0.816 121.345 120.500 0.049 0.000 2.471 1118 R HA 0.440 4.780 4.340 -0.000 0.000 0.292 1118 R C -0.586 175.727 176.300 0.022 0.000 1.192 1118 R CA -0.380 55.741 56.100 0.035 0.000 1.257 1118 R CB 0.829 31.138 30.300 0.016 0.000 1.130 1118 R HN 0.102 nan 8.270 nan 0.000 0.558 1119 L N 1.470 122.714 121.223 0.034 0.000 2.360 1119 L HA 0.519 4.859 4.340 -0.000 0.000 0.271 1119 L C 0.297 177.150 176.870 -0.027 0.000 1.057 1119 L CA -0.259 54.563 54.840 -0.029 0.000 0.803 1119 L CB 1.686 43.738 42.059 -0.012 0.000 1.207 1119 L HN 0.649 nan 8.230 nan 0.000 0.445 1120 S N 0.091 115.734 115.700 -0.096 0.000 2.578 1120 S HA 0.245 4.715 4.470 -0.000 0.000 0.272 1120 S C -1.241 173.425 174.600 0.110 0.000 1.145 1120 S CA -0.875 57.355 58.200 0.049 0.000 0.835 1120 S CB 1.436 64.687 63.200 0.085 0.000 1.104 1120 S HN 0.619 nan 8.310 nan 0.000 0.458 1121 C N 2.760 122.230 119.300 0.284 0.000 2.787 1121 C HA 0.728 5.188 4.460 -0.000 0.000 0.265 1121 C C 0.001 175.207 174.990 0.361 0.000 1.190 1121 C CA -0.521 58.727 59.018 0.384 0.000 1.616 1121 C CB -2.089 25.979 27.740 0.546 0.000 1.732 1121 C HN 0.860 nan 8.230 nan 0.000 0.433 1122 F N 2.503 122.552 119.950 0.166 0.000 2.880 1122 F HA 0.535 5.062 4.527 -0.000 0.000 0.346 1122 F C 1.107 176.972 175.800 0.107 0.000 1.054 1122 F CA 0.485 58.558 58.000 0.121 0.000 1.151 1122 F CB -0.033 39.011 39.000 0.074 0.000 1.066 1122 F HN 0.509 nan 8.300 nan 0.000 0.566 1123 A N 0.930 123.898 122.820 0.247 0.000 2.346 1123 A HA 0.370 4.690 4.320 -0.000 0.000 0.252 1123 A C 0.674 178.256 177.584 -0.003 0.000 1.089 1123 A CA 0.289 52.410 52.037 0.139 0.000 0.797 1123 A CB 0.194 19.281 19.000 0.145 0.000 1.047 1123 A HN 0.560 nan 8.150 nan 0.000 0.494 1124 Q N -0.671 119.065 119.800 -0.107 0.000 2.127 1124 Q HA 0.229 4.569 4.340 -0.000 0.000 0.222 1124 Q C -0.862 174.897 176.000 -0.402 0.000 0.794 1124 Q CA -0.024 55.633 55.803 -0.242 0.000 1.010 1124 Q CB 0.482 29.121 28.738 -0.165 0.000 1.170 1124 Q HN 0.519 nan 8.270 nan 0.000 0.479 1125 T N 0.847 115.195 114.554 -0.344 0.000 2.971 1125 T HA 0.405 4.755 4.350 -0.000 0.000 0.304 1125 T C -0.187 174.397 174.700 -0.195 0.000 1.038 1125 T CA -0.593 61.327 62.100 -0.301 0.000 1.007 1125 T CB 2.274 71.062 68.868 -0.134 0.000 1.055 1125 T HN 0.093 nan 8.240 nan 0.000 0.451 1126 V N 2.421 122.267 119.914 -0.115 0.000 2.740 1126 V HA 0.642 4.762 4.120 -0.000 0.000 0.303 1126 V C 0.672 176.787 176.094 0.034 0.000 1.054 1126 V CA -0.358 62.022 62.300 0.133 0.000 1.106 1126 V CB 0.726 32.717 31.823 0.280 0.000 0.957 1126 V HN 1.084 nan 8.190 nan 0.000 0.486 1127 S N 3.246 118.971 115.700 0.040 0.000 2.596 1127 S HA 0.576 5.046 4.470 -0.000 0.000 0.270 1127 S C -2.489 172.089 174.600 -0.037 0.000 1.155 1127 S CA -1.280 56.912 58.200 -0.014 0.000 0.827 1127 S CB 2.031 65.223 63.200 -0.013 0.000 1.130 1127 S HN 0.392 nan 8.310 nan 0.000 0.467 1128 P HA -0.034 nan 4.420 nan 0.000 0.219 1128 P C 1.073 178.292 177.300 -0.136 0.000 1.144 1128 P CA 1.817 64.860 63.100 -0.094 0.000 0.806 1128 P CB -0.096 31.551 31.700 -0.088 0.000 0.771 1129 A N -0.304 122.449 122.820 -0.112 0.000 2.208 1129 A HA -0.059 4.261 4.320 -0.000 0.000 0.209 1129 A C 1.373 178.858 177.584 -0.165 0.000 1.161 1129 A CA 0.834 52.777 52.037 -0.156 0.000 0.782 1129 A CB -0.341 18.604 19.000 -0.093 0.000 0.816 1129 A HN 0.156 nan 8.150 nan 0.000 0.477 1130 E N -0.027 120.146 120.200 -0.046 0.000 2.660 1130 E HA 0.165 4.515 4.350 -0.000 0.000 0.216 1130 E C -0.604 176.120 176.600 0.206 0.000 0.986 1130 E CA -0.051 56.430 56.400 0.135 0.000 1.037 1130 E CB 0.136 30.016 29.700 0.300 0.000 1.041 1130 E HN 0.358 nan 8.360 nan 0.000 0.480 1131 K N 1.130 121.519 120.400 -0.018 0.000 2.316 1131 K HA 0.312 4.632 4.320 -0.000 0.000 0.267 1131 K C -1.041 175.539 176.600 -0.034 0.000 1.025 1131 K CA -0.429 55.920 56.287 0.104 0.000 0.896 1131 K CB 0.851 33.368 32.500 0.028 0.000 1.124 1131 K HN -0.091 nan 8.250 nan 0.000 0.451 1132 W N 0.589 121.973 121.300 0.140 0.000 2.578 1132 W HA 0.342 5.002 4.660 -0.000 0.000 0.353 1132 W C 0.014 176.542 176.519 0.014 0.000 1.088 1132 W CA -0.689 56.693 57.345 0.062 0.000 1.235 1132 W CB 1.176 30.676 29.460 0.067 0.000 1.362 1132 W HN 0.290 nan 8.180 nan 0.000 0.592 1133 S N 1.283 117.070 115.700 0.146 0.000 2.454 1133 S HA 0.542 5.012 4.470 -0.000 0.000 0.306 1133 S C -0.241 174.306 174.600 -0.088 0.000 1.100 1133 S CA -0.992 57.199 58.200 -0.015 0.000 1.087 1133 S CB 0.826 64.000 63.200 -0.043 0.000 1.019 1133 S HN 0.380 nan 8.310 nan 0.000 0.480 1134 V N 0.589 120.336 119.914 -0.278 0.000 3.003 1134 V HA 0.473 4.593 4.120 -0.000 0.000 0.305 1134 V C -0.082 176.120 176.094 0.180 0.000 1.078 1134 V CA -0.308 61.814 62.300 -0.297 0.000 1.083 1134 V CB 0.695 32.131 31.823 -0.644 0.000 1.039 1134 V HN 1.090 nan 8.190 nan 0.000 0.481 1135 H N 3.403 122.622 119.070 0.248 0.000 2.699 1135 H HA 0.408 4.964 4.556 -0.000 0.000 0.256 1135 H C -0.645 175.038 175.328 0.592 0.000 1.376 1135 H CA -1.102 55.262 56.048 0.525 0.000 1.549 1135 H CB 0.724 30.773 29.762 0.478 0.000 1.686 1135 H HN 0.694 nan 8.280 nan 0.000 0.550 1136 I N 3.434 124.476 120.570 0.785 0.000 2.828 1136 I HA -0.126 4.044 4.170 -0.000 0.000 0.292 1136 I C 1.343 177.723 176.117 0.439 0.000 1.206 1136 I CA 0.977 62.535 61.300 0.431 0.000 1.420 1136 I CB 0.467 38.478 38.000 0.018 0.000 1.368 1136 I HN 0.753 nan 8.210 nan 0.000 0.556 1137 A N 8.392 131.401 122.820 0.316 0.000 2.140 1137 A HA 0.112 4.432 4.320 -0.000 0.000 0.209 1137 A C 1.156 178.930 177.584 0.318 0.000 1.181 1137 A CA -0.064 52.162 52.037 0.316 0.000 0.824 1137 A CB 0.066 19.137 19.000 0.118 0.000 0.879 1137 A HN 0.759 nan 8.150 nan 0.000 0.480 1138 M N 0.445 120.152 119.600 0.179 0.000 2.245 1138 M HA 0.153 4.633 4.480 -0.000 0.000 0.330 1138 M C -0.002 176.415 176.300 0.195 0.000 1.098 1138 M CA 0.178 55.562 55.300 0.139 0.000 1.172 1138 M CB -0.448 32.181 32.600 0.048 0.000 1.467 1138 M HN 0.370 nan 8.290 nan 0.000 0.454 1139 H N 5.506 124.642 119.070 0.109 0.000 3.167 1139 H HA 0.050 4.606 4.556 -0.000 0.000 0.306 1139 H C -1.703 173.565 175.328 -0.100 0.000 0.965 1139 H CA -0.317 55.763 56.048 0.053 0.000 1.408 1139 H CB 0.433 30.178 29.762 -0.029 0.000 1.406 1139 H HN 0.476 nan 8.280 nan 0.000 0.576 1140 P HA -0.080 nan 4.420 nan 0.000 0.239 1140 P C -0.518 176.755 177.300 -0.045 0.000 1.184 1140 P CA 0.720 63.660 63.100 -0.267 0.000 0.760 1140 P CB 0.346 31.671 31.700 -0.625 0.000 0.884 1141 Q N 0.866 120.822 119.800 0.259 0.000 2.325 1141 Q HA 0.511 4.851 4.340 -0.000 0.000 0.262 1141 Q C 0.068 176.066 176.000 -0.004 0.000 0.968 1141 Q CA -0.751 55.095 55.803 0.073 0.000 0.877 1141 Q CB 2.572 31.326 28.738 0.026 0.000 1.253 1141 Q HN -0.025 nan 8.270 nan 0.000 0.448 1142 V N -0.247 119.666 119.914 -0.002 0.000 3.181 1142 V HA 0.589 4.709 4.120 -0.000 0.000 0.307 1142 V C -1.443 174.676 176.094 0.041 0.000 1.310 1142 V CA -1.211 61.100 62.300 0.018 0.000 1.067 1142 V CB 2.353 34.216 31.823 0.067 0.000 1.081 1142 V HN 0.752 nan 8.190 nan 0.000 0.453 1143 N N 0.055 118.811 118.700 0.092 0.000 2.361 1143 N HA 0.745 5.485 4.740 -0.000 0.000 0.302 1143 N C -1.112 174.557 175.510 0.264 0.000 1.074 1143 N CA -0.576 52.572 53.050 0.164 0.000 0.850 1143 N CB 2.076 40.664 38.487 0.169 0.000 1.228 1143 N HN 0.720 nan 8.380 nan 0.000 0.491 1144 I N 2.368 123.112 120.570 0.291 0.000 2.336 1144 I HA 0.216 4.386 4.170 -0.000 0.000 0.292 1144 I C -1.110 175.249 176.117 0.405 0.000 0.991 1144 I CA -0.640 60.835 61.300 0.291 0.000 1.227 1144 I CB 0.738 38.799 38.000 0.102 0.000 1.366 1144 I HN 0.500 nan 8.210 nan 0.000 0.466 1145 Y N 5.928 126.351 120.300 0.205 0.000 2.331 1145 Y HA 0.330 4.880 4.550 -0.000 0.000 0.334 1145 Y C 0.090 176.080 175.900 0.151 0.000 0.960 1145 Y CA -0.516 57.576 58.100 -0.013 0.000 1.130 1145 Y CB 1.790 40.109 38.460 -0.234 0.000 1.164 1145 Y HN 0.492 nan 8.280 nan 0.000 0.458 1146 S N 4.912 120.449 115.700 -0.271 0.000 2.465 1146 S HA 0.264 4.733 4.470 -0.000 0.000 0.279 1146 S C 0.777 175.010 174.600 -0.612 0.000 1.201 1146 S CA -0.516 57.453 58.200 -0.384 0.000 1.053 1146 S CB 0.382 63.428 63.200 -0.258 0.000 0.953 1146 S HN 0.660 nan 8.310 nan 0.000 0.488 1147 V N 5.316 124.998 119.914 -0.386 0.000 2.307 1147 V HA -0.104 4.016 4.120 -0.000 0.000 0.245 1147 V C 2.639 178.591 176.094 -0.236 0.000 1.045 1147 V CA 2.193 64.361 62.300 -0.221 0.000 1.024 1147 V CB -1.679 30.070 31.823 -0.124 0.000 0.651 1147 V HN 0.850 nan 8.190 nan 0.000 0.449 1148 T N -0.199 114.199 114.554 -0.261 0.000 2.759 1148 T HA -0.170 4.180 4.350 -0.000 0.000 0.269 1148 T C 1.927 176.518 174.700 -0.181 0.000 1.042 1148 T CA 1.789 63.772 62.100 -0.196 0.000 1.140 1148 T CB -0.207 68.546 68.868 -0.192 0.000 0.864 1148 T HN 0.490 nan 8.240 nan 0.000 0.455 1149 R N 0.173 120.532 120.500 -0.235 0.000 2.365 1149 R HA 0.165 4.505 4.340 -0.000 0.000 0.223 1149 R C 1.062 177.224 176.300 -0.230 0.000 0.899 1149 R CA 0.412 56.400 56.100 -0.186 0.000 1.059 1149 R CB 0.219 30.437 30.300 -0.136 0.000 1.086 1149 R HN 0.340 nan 8.270 nan 0.000 0.522 1150 K N 0.105 120.265 120.400 -0.401 0.000 3.274 1150 K HA -0.208 4.112 4.320 -0.000 0.000 0.300 1150 K C -0.680 175.651 176.600 -0.448 0.000 1.230 1150 K CA 1.148 57.156 56.287 -0.466 0.000 0.884 1150 K CB -0.971 31.459 32.500 -0.116 0.000 1.242 1150 K HN -0.073 nan 8.250 nan 0.000 0.467 1151 R N 0.059 120.288 120.500 -0.452 0.000 2.828 1151 R HA 0.569 4.909 4.340 -0.000 0.000 0.264 1151 R C -0.767 175.392 176.300 -0.235 0.000 1.022 1151 R CA -0.951 55.032 56.100 -0.196 0.000 1.021 1151 R CB 0.450 30.713 30.300 -0.061 0.000 1.163 1151 R HN 0.238 nan 8.270 nan 0.000 0.494 1152 Y N -0.146 120.199 120.300 0.075 0.000 2.361 1152 Y HA 0.559 5.109 4.550 -0.000 0.000 0.332 1152 Y C 0.645 176.629 175.900 0.139 0.000 1.101 1152 Y CA -0.781 57.421 58.100 0.171 0.000 1.137 1152 Y CB 1.628 40.215 38.460 0.210 0.000 1.207 1152 Y HN 0.647 nan 8.280 nan 0.000 0.463 1153 A N 3.656 126.672 122.820 0.328 0.000 2.407 1153 A HA 0.456 4.776 4.320 -0.000 0.000 0.248 1153 A C -0.506 177.266 177.584 0.313 0.000 1.082 1153 A CA 0.108 52.295 52.037 0.249 0.000 0.785 1153 A CB -0.099 18.973 19.000 0.120 0.000 1.020 1153 A HN 0.856 nan 8.150 nan 0.000 0.489 1154 H N 0.313 119.427 119.070 0.073 0.000 3.024 1154 H HA 0.252 4.808 4.556 -0.000 0.000 0.324 1154 H C -1.686 173.659 175.328 0.028 0.000 1.347 1154 H CA -1.218 54.861 56.048 0.053 0.000 1.182 1154 H CB 0.184 29.991 29.762 0.074 0.000 1.889 1154 H HN 0.648 nan 8.280 nan 0.000 0.528 1155 L N 2.278 123.299 121.223 -0.337 0.000 2.562 1155 L HA 0.087 4.426 4.340 -0.000 0.000 0.271 1155 L C 0.481 176.953 176.870 -0.664 0.000 1.167 1155 L CA 0.219 54.841 54.840 -0.363 0.000 0.917 1155 L CB 0.424 42.378 42.059 -0.174 0.000 1.187 1155 L HN 0.691 nan 8.230 nan 0.000 0.482 1156 S N 3.212 118.618 115.700 -0.489 0.000 2.548 1156 S HA 0.352 4.821 4.470 -0.000 0.000 0.277 1156 S C 0.933 175.450 174.600 -0.138 0.000 1.315 1156 S CA 0.038 58.030 58.200 -0.346 0.000 1.050 1156 S CB 1.642 64.776 63.200 -0.109 0.000 0.918 1156 S HN 0.788 nan 8.310 nan 0.000 0.497 1157 A N 6.364 129.167 122.820 -0.029 0.000 1.861 1157 A HA 0.061 4.381 4.320 -0.000 0.000 0.212 1157 A C 2.142 179.737 177.584 0.018 0.000 1.199 1157 A CA 0.322 52.367 52.037 0.013 0.000 0.613 1157 A CB -0.407 18.630 19.000 0.062 0.000 0.846 1157 A HN 0.821 nan 8.150 nan 0.000 0.446 1158 R N 0.415 120.936 120.500 0.035 0.000 2.280 1158 R HA -0.087 4.253 4.340 -0.000 0.000 0.209 1158 R C -1.453 174.857 176.300 0.016 0.000 1.059 1158 R CA 0.958 57.076 56.100 0.031 0.000 0.847 1158 R CB -2.851 27.474 30.300 0.042 0.000 0.763 1158 R HN 0.262 nan 8.270 nan 0.000 0.452 1159 P HA 0.249 nan 4.420 nan 0.000 0.230 1159 P C -0.812 176.485 177.300 -0.004 0.000 1.791 1159 P CA -0.167 62.937 63.100 0.008 0.000 1.020 1159 P CB 0.218 31.925 31.700 0.012 0.000 1.977 1160 A N 2.082 124.897 122.820 -0.008 0.000 2.672 1160 A HA -0.075 4.245 4.320 -0.000 0.000 0.232 1160 A C 0.821 178.393 177.584 -0.020 0.000 1.121 1160 A CA 0.781 52.806 52.037 -0.019 0.000 0.829 1160 A CB -0.576 18.418 19.000 -0.011 0.000 1.027 1160 A HN 0.560 nan 8.150 nan 0.000 0.515 1161 D N -1.009 119.374 120.400 -0.028 0.000 2.775 1161 D HA -0.116 4.524 4.640 -0.000 0.000 0.235 1161 D C -0.094 176.192 176.300 -0.023 0.000 1.120 1161 D CA 1.880 55.867 54.000 -0.022 0.000 0.708 1161 D CB -0.960 39.835 40.800 -0.009 0.000 1.084 1161 D HN 0.788 nan 8.370 nan 0.000 0.434 1162 E N 0.647 120.823 120.200 -0.040 0.000 2.466 1162 E HA 0.186 4.536 4.350 -0.000 0.000 0.308 1162 E C -0.567 175.998 176.600 -0.059 0.000 0.933 1162 E CA -0.569 55.812 56.400 -0.032 0.000 0.800 1162 E CB 0.462 30.154 29.700 -0.013 0.000 1.434 1162 E HN 0.162 nan 8.360 nan 0.000 0.389 1163 I N 3.490 124.025 120.570 -0.058 0.000 2.680 1163 I HA 0.025 4.195 4.170 -0.000 0.000 0.286 1163 I C 0.746 176.852 176.117 -0.017 0.000 1.144 1163 I CA 0.345 61.599 61.300 -0.076 0.000 1.370 1163 I CB 0.237 38.198 38.000 -0.064 0.000 1.420 1163 I HN 0.450 nan 8.210 nan 0.000 0.540 1164 A N 6.471 129.283 122.820 -0.015 0.000 2.340 1164 A HA 0.403 4.723 4.320 -0.000 0.000 0.268 1164 A C 0.000 177.734 177.584 0.249 0.000 1.100 1164 A CA -0.398 51.721 52.037 0.137 0.000 0.803 1164 A CB 1.303 20.440 19.000 0.228 0.000 1.043 1164 A HN 0.529 nan 8.150 nan 0.000 0.488 1165 V N 3.675 123.695 119.914 0.177 0.000 2.233 1165 V HA 0.410 4.530 4.120 -0.000 0.000 0.261 1165 V C -0.847 175.310 176.094 0.105 0.000 1.076 1165 V CA -0.053 62.348 62.300 0.167 0.000 1.001 1165 V CB 0.205 32.126 31.823 0.162 0.000 1.206 1165 V HN 0.918 nan 8.190 nan 0.000 0.468 1166 D N 3.836 124.297 120.400 0.102 0.000 2.940 1166 D HA 0.210 4.850 4.640 -0.000 0.000 0.366 1166 D C 0.013 176.299 176.300 -0.024 0.000 1.446 1166 D CA -0.352 53.669 54.000 0.035 0.000 0.780 1166 D CB 0.167 40.997 40.800 0.049 0.000 1.206 1166 D HN 0.422 nan 8.370 nan 0.000 0.454 1167 R N 0.003 120.506 120.500 0.005 0.000 2.562 1167 R HA 0.300 4.640 4.340 -0.000 0.000 0.298 1167 R C -0.315 176.086 176.300 0.169 0.000 0.961 1167 R CA -0.557 55.541 56.100 -0.003 0.000 0.881 1167 R CB 1.746 31.994 30.300 -0.086 0.000 1.159 1167 R HN -0.151 nan 8.270 nan 0.000 0.450 1168 D N 0.277 120.744 120.400 0.113 0.000 2.347 1168 D HA 0.032 4.672 4.640 -0.000 0.000 0.215 1168 D C -0.335 176.123 176.300 0.264 0.000 0.976 1168 D CA 0.802 54.908 54.000 0.176 0.000 0.884 1168 D CB 0.559 41.388 40.800 0.049 0.000 0.915 1168 D HN -0.053 nan 8.370 nan 0.000 0.526 1169 V N 0.017 120.019 119.914 0.146 0.000 3.000 1169 V HA 0.292 4.412 4.120 -0.000 0.000 0.300 1169 V C -2.657 173.382 176.094 -0.091 0.000 1.251 1169 V CA -1.934 60.345 62.300 -0.036 0.000 0.972 1169 V CB 2.620 34.369 31.823 -0.123 0.000 1.065 1169 V HN -0.177 nan 8.190 nan 0.000 0.431 1170 P HA 0.230 nan 4.420 nan 0.000 0.266 1170 P C -1.077 176.321 177.300 0.164 0.000 1.586 1170 P CA 0.190 63.189 63.100 -0.168 0.000 1.088 1170 P CB -0.013 31.438 31.700 -0.416 0.000 1.584 1171 W N 2.902 124.133 121.300 -0.116 0.000 2.864 1171 W HA 0.503 5.163 4.660 -0.000 0.000 0.343 1171 W C 0.477 176.968 176.519 -0.048 0.000 1.109 1171 W CA 0.001 57.296 57.345 -0.082 0.000 1.192 1171 W CB 2.793 32.215 29.460 -0.064 0.000 1.426 1171 W HN 0.629 nan 8.180 nan 0.000 0.529 1172 G N 0.731 109.459 108.800 -0.120 0.000 2.877 1172 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.279 1172 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.279 1172 G C 0.290 175.169 174.900 -0.035 0.000 1.431 1172 G CA -0.342 44.727 45.100 -0.052 0.000 0.883 1172 G HN 0.659 nan 8.290 nan 0.000 0.547 1173 V N 0.496 120.400 119.914 -0.018 0.000 2.332 1173 V HA -0.197 3.922 4.120 -0.000 0.000 0.248 1173 V C 2.615 178.715 176.094 0.009 0.000 1.055 1173 V CA 2.828 65.119 62.300 -0.016 0.000 1.038 1173 V CB -0.916 30.900 31.823 -0.010 0.000 0.651 1173 V HN 0.813 nan 8.190 nan 0.000 0.450 1174 D N 1.104 121.537 120.400 0.054 0.000 2.303 1174 D HA -0.269 4.371 4.640 -0.000 0.000 0.190 1174 D C 2.203 178.568 176.300 0.108 0.000 1.011 1174 D CA 2.374 56.432 54.000 0.097 0.000 0.860 1174 D CB -0.452 40.507 40.800 0.264 0.000 0.961 1174 D HN 0.513 nan 8.370 nan 0.000 0.453 1175 S N 0.432 116.209 115.700 0.129 0.000 2.465 1175 S HA -0.126 4.344 4.470 -0.000 0.000 0.241 1175 S C 0.921 175.549 174.600 0.048 0.000 1.000 1175 S CA -0.092 58.176 58.200 0.113 0.000 0.964 1175 S CB -0.231 63.011 63.200 0.070 0.000 0.763 1175 S HN 0.173 nan 8.310 nan 0.000 0.512 1176 L N 2.891 124.115 121.223 0.001 0.000 2.410 1176 L HA 0.271 4.611 4.340 -0.000 0.000 0.273 1176 L C -0.613 176.232 176.870 -0.042 0.000 1.144 1176 L CA 0.572 55.392 54.840 -0.033 0.000 0.863 1176 L CB 0.007 42.031 42.059 -0.058 0.000 1.140 1176 L HN 0.037 nan 8.230 nan 0.000 0.463 1177 I N 4.199 124.746 120.570 -0.039 0.000 2.533 1177 I HA 0.340 4.510 4.170 -0.000 0.000 0.290 1177 I C -0.437 175.644 176.117 -0.061 0.000 1.056 1177 I CA -0.383 60.880 61.300 -0.060 0.000 1.057 1177 I CB 2.085 40.056 38.000 -0.048 0.000 1.240 1177 I HN 0.579 nan 8.210 nan 0.000 0.423 1178 T N 5.564 120.066 114.554 -0.087 0.000 2.779 1178 T HA 0.586 4.936 4.350 -0.000 0.000 0.280 1178 T C 0.001 174.681 174.700 -0.033 0.000 0.987 1178 T CA -0.624 61.430 62.100 -0.076 0.000 0.966 1178 T CB 1.576 70.376 68.868 -0.113 0.000 0.933 1178 T HN 0.298 nan 8.240 nan 0.000 0.442 1179 L N 3.004 124.221 121.223 -0.009 0.000 2.358 1179 L HA 0.532 4.872 4.340 -0.000 0.000 0.274 1179 L C 0.731 177.675 176.870 0.123 0.000 1.136 1179 L CA -0.671 54.205 54.840 0.059 0.000 0.970 1179 L CB -0.099 41.975 42.059 0.024 0.000 1.314 1179 L HN 0.819 nan 8.230 nan 0.000 0.427 1180 A N 2.607 125.554 122.820 0.212 0.000 2.310 1180 A HA 0.580 4.899 4.320 -0.000 0.000 0.299 1180 A C -0.373 177.416 177.584 0.342 0.000 1.147 1180 A CA -0.482 51.740 52.037 0.308 0.000 0.818 1180 A CB 0.305 19.491 19.000 0.310 0.000 1.096 1180 A HN 0.380 nan 8.150 nan 0.000 0.495 1181 F N 1.240 121.340 119.950 0.250 0.000 2.608 1181 F HA 0.052 4.579 4.527 -0.000 0.000 0.380 1181 F C 1.529 177.282 175.800 -0.077 0.000 1.083 1181 F CA 0.918 58.918 58.000 0.000 0.000 1.266 1181 F CB 0.516 39.417 39.000 -0.166 0.000 1.076 1181 F HN 0.808 nan 8.300 nan 0.000 0.574 1182 Q N 0.971 120.798 119.800 0.045 0.000 2.505 1182 Q HA 0.157 4.496 4.340 -0.000 0.000 0.184 1182 Q C -0.613 175.327 176.000 -0.100 0.000 0.878 1182 Q CA 0.147 55.934 55.803 -0.027 0.000 0.811 1182 Q CB 0.718 29.430 28.738 -0.043 0.000 1.118 1182 Q HN 0.485 nan 8.270 nan 0.000 0.605 1183 D N 0.835 121.154 120.400 -0.134 0.000 2.336 1183 D HA 0.101 4.741 4.640 -0.000 0.000 0.248 1183 D C -0.728 175.473 176.300 -0.164 0.000 1.326 1183 D CA 0.028 53.939 54.000 -0.148 0.000 0.973 1183 D CB 1.366 42.094 40.800 -0.121 0.000 1.255 1183 D HN 0.257 nan 8.370 nan 0.000 0.558 1184 Q N 0.114 119.788 119.800 -0.209 0.000 2.377 1184 Q HA -0.268 4.071 4.340 -0.000 0.000 0.234 1184 Q C 0.038 175.911 176.000 -0.211 0.000 0.847 1184 Q CA 1.423 57.109 55.803 -0.194 0.000 1.280 1184 Q CB -0.743 27.919 28.738 -0.127 0.000 1.717 1184 Q HN 0.599 nan 8.270 nan 0.000 0.579 1185 R N -1.806 118.524 120.500 -0.283 0.000 2.987 1185 R HA 0.723 5.063 4.340 -0.000 0.000 0.248 1185 R C -1.078 174.921 176.300 -0.502 0.000 1.264 1185 R CA -0.646 55.312 56.100 -0.237 0.000 1.026 1185 R CB 1.171 31.441 30.300 -0.051 0.000 1.286 1185 R HN -0.047 nan 8.270 nan 0.000 0.483 1186 Y N -0.449 119.986 120.300 0.225 0.000 2.492 1186 Y HA 0.391 4.941 4.550 -0.000 0.000 0.346 1186 Y C -0.391 175.688 175.900 0.298 0.000 0.997 1186 Y CA -0.737 57.506 58.100 0.237 0.000 1.025 1186 Y CB 2.493 41.094 38.460 0.235 0.000 1.263 1186 Y HN 0.614 nan 8.280 nan 0.000 0.454 1187 S N 0.127 116.075 115.700 0.414 0.000 2.638 1187 S HA 0.791 5.261 4.470 -0.000 0.000 0.302 1187 S C -1.314 173.449 174.600 0.271 0.000 1.096 1187 S CA -0.957 57.491 58.200 0.414 0.000 0.953 1187 S CB 1.877 65.306 63.200 0.383 0.000 1.107 1187 S HN 0.309 nan 8.310 nan 0.000 0.503 1188 V N 2.526 122.542 119.914 0.169 0.000 2.288 1188 V HA 0.364 4.484 4.120 -0.000 0.000 0.266 1188 V C 0.076 176.156 176.094 -0.023 0.000 1.048 1188 V CA -0.356 61.917 62.300 -0.044 0.000 0.842 1188 V CB 0.276 31.922 31.823 -0.294 0.000 1.064 1188 V HN 0.933 nan 8.190 nan 0.000 0.472 1189 Q N 4.202 123.948 119.800 -0.090 0.000 2.278 1189 Q HA 0.509 4.849 4.340 -0.000 0.000 0.257 1189 Q C 0.232 176.068 176.000 -0.272 0.000 0.928 1189 Q CA -0.529 55.079 55.803 -0.325 0.000 0.932 1189 Q CB 1.635 30.021 28.738 -0.586 0.000 1.221 1189 Q HN 0.730 nan 8.270 nan 0.000 0.434 1190 T N 0.390 114.784 114.554 -0.266 0.000 2.766 1190 T HA 0.368 4.718 4.350 -0.000 0.000 0.295 1190 T C 1.278 175.851 174.700 -0.211 0.000 1.024 1190 T CA -0.167 61.818 62.100 -0.192 0.000 1.018 1190 T CB 0.969 69.750 68.868 -0.145 0.000 1.002 1190 T HN 0.757 nan 8.240 nan 0.000 0.532 1191 A N 1.005 123.735 122.820 -0.150 0.000 2.076 1191 A HA -0.059 4.261 4.320 -0.000 0.000 0.220 1191 A C 1.508 179.010 177.584 -0.137 0.000 1.160 1191 A CA 1.519 53.468 52.037 -0.146 0.000 0.653 1191 A CB -0.942 18.011 19.000 -0.080 0.000 0.801 1191 A HN 0.957 nan 8.150 nan 0.000 0.455 1192 D N -2.628 117.729 120.400 -0.072 0.000 2.722 1192 D HA 0.249 4.889 4.640 -0.000 0.000 0.239 1192 D C 0.107 176.521 176.300 0.191 0.000 1.249 1192 D CA -0.401 53.652 54.000 0.088 0.000 0.830 1192 D CB -0.996 39.835 40.800 0.052 0.000 1.025 1192 D HN 0.527 nan 8.370 nan 0.000 0.486 1193 H N -1.608 117.369 119.070 -0.155 0.000 3.366 1193 H HA -0.205 4.351 4.556 -0.000 0.000 0.233 1193 H C 0.254 175.365 175.328 -0.362 0.000 1.102 1193 H CA 1.233 57.148 56.048 -0.222 0.000 1.184 1193 H CB -1.609 28.096 29.762 -0.095 0.000 1.216 1193 H HN 0.309 nan 8.280 nan 0.000 0.317 1194 R N -0.598 119.767 120.500 -0.225 0.000 2.574 1194 R HA 0.584 4.924 4.340 -0.000 0.000 0.266 1194 R C -0.396 175.567 176.300 -0.562 0.000 1.157 1194 R CA -0.286 55.692 56.100 -0.204 0.000 1.187 1194 R CB 0.609 30.885 30.300 -0.040 0.000 1.179 1194 R HN -0.005 nan 8.270 nan 0.000 0.600 1195 F N 0.333 120.292 119.950 0.014 0.000 2.569 1195 F HA 0.288 4.815 4.527 -0.000 0.000 0.312 1195 F C -0.524 175.284 175.800 0.013 0.000 1.109 1195 F CA -0.989 57.021 58.000 0.016 0.000 0.919 1195 F CB 1.366 40.380 39.000 0.022 0.000 1.211 1195 F HN 0.196 nan 8.300 nan 0.000 0.446 1196 L N 4.711 126.053 121.223 0.199 0.000 2.283 1196 L HA 0.427 4.767 4.340 -0.000 0.000 0.287 1196 L C 0.232 177.208 176.870 0.177 0.000 1.073 1196 L CA -0.029 54.892 54.840 0.135 0.000 0.822 1196 L CB 0.285 42.384 42.059 0.068 0.000 1.186 1196 L HN 0.636 nan 8.230 nan 0.000 0.436 1197 R N 3.848 124.400 120.500 0.087 0.000 2.441 1197 R HA 0.118 4.458 4.340 -0.000 0.000 0.284 1197 R C 1.302 177.615 176.300 0.021 0.000 1.070 1197 R CA -0.207 55.897 56.100 0.005 0.000 1.047 1197 R CB 0.528 30.773 30.300 -0.093 0.000 1.016 1197 R HN 0.916 nan 8.270 nan 0.000 0.477 1198 H N 2.698 121.832 119.070 0.106 0.000 2.554 1198 H HA -0.130 4.426 4.556 -0.000 0.000 0.290 1198 H C 0.249 175.640 175.328 0.106 0.000 1.058 1198 H CA 1.292 57.446 56.048 0.176 0.000 1.224 1198 H CB 0.113 29.963 29.762 0.146 0.000 1.359 1198 H HN 0.675 nan 8.280 nan 0.000 0.589 1199 D N -0.201 119.994 120.400 -0.340 0.000 2.363 1199 D HA 0.064 4.703 4.640 -0.000 0.000 0.226 1199 D C 1.713 177.992 176.300 -0.034 0.000 1.020 1199 D CA 0.842 54.734 54.000 -0.180 0.000 0.892 1199 D CB -0.307 40.352 40.800 -0.233 0.000 0.900 1199 D HN 0.583 nan 8.370 nan 0.000 0.531 1200 G N 0.127 108.928 108.800 0.002 0.000 2.279 1200 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.223 1200 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.223 1200 G C 0.431 175.335 174.900 0.008 0.000 1.015 1200 G CA 0.039 45.154 45.100 0.025 0.000 0.621 1200 G HN 0.553 nan 8.290 nan 0.000 0.506 1201 R N 0.176 120.669 120.500 -0.011 0.000 2.577 1201 R HA 0.649 4.989 4.340 -0.000 0.000 0.269 1201 R C -0.320 175.984 176.300 0.008 0.000 1.084 1201 R CA -0.520 55.576 56.100 -0.007 0.000 1.163 1201 R CB 0.288 30.579 30.300 -0.015 0.000 1.100 1201 R HN 0.132 nan 8.270 nan 0.000 0.547 1202 L N 1.835 123.066 121.223 0.013 0.000 2.344 1202 L HA 0.493 4.833 4.340 -0.000 0.000 0.272 1202 L C -0.536 176.365 176.870 0.052 0.000 1.035 1202 L CA -0.405 54.456 54.840 0.035 0.000 0.807 1202 L CB 1.734 43.799 42.059 0.009 0.000 1.237 1202 L HN 0.459 nan 8.230 nan 0.000 0.442 1203 V N -1.367 118.611 119.914 0.106 0.000 2.969 1203 V HA 0.744 4.864 4.120 -0.000 0.000 0.304 1203 V C 0.259 176.476 176.094 0.204 0.000 1.192 1203 V CA -0.334 62.032 62.300 0.110 0.000 0.962 1203 V CB 1.475 33.338 31.823 0.067 0.000 1.045 1203 V HN 0.772 nan 8.190 nan 0.000 0.428 1204 A N 3.164 126.072 122.820 0.146 0.000 2.119 1204 A HA 0.174 4.494 4.320 -0.000 0.000 0.217 1204 A C 1.155 178.861 177.584 0.204 0.000 1.153 1204 A CA 1.196 53.346 52.037 0.188 0.000 0.692 1204 A CB -0.208 18.852 19.000 0.101 0.000 0.799 1204 A HN 1.134 nan 8.150 nan 0.000 0.458 1205 R N 0.618 121.176 120.500 0.097 0.000 2.387 1205 R HA 0.357 4.697 4.340 -0.000 0.000 0.314 1205 R C -3.479 172.714 176.300 -0.177 0.000 0.958 1205 R CA -2.439 53.646 56.100 -0.026 0.000 0.846 1205 R CB 0.554 30.835 30.300 -0.032 0.000 1.147 1205 R HN -0.023 nan 8.270 nan 0.000 0.447 1206 P HA 0.075 nan 4.420 nan 0.000 0.273 1206 P C -0.495 176.622 177.300 -0.304 0.000 1.319 1206 P CA 0.092 62.820 63.100 -0.620 0.000 0.885 1206 P CB 0.460 31.589 31.700 -0.950 0.000 1.015 1207 E N 6.568 126.647 120.200 -0.202 0.000 2.790 1207 E HA 0.327 4.677 4.350 -0.000 0.000 0.256 1207 E C -1.652 174.869 176.600 -0.132 0.000 1.246 1207 E CA -1.709 54.609 56.400 -0.135 0.000 1.041 1207 E CB 0.281 29.927 29.700 -0.092 0.000 1.272 1207 E HN 0.105 nan 8.360 nan 0.000 0.603 1208 P HA -0.082 nan 4.420 nan 0.000 0.220 1208 P C 0.838 178.079 177.300 -0.098 0.000 1.152 1208 P CA 1.287 64.331 63.100 -0.094 0.000 0.812 1208 P CB 0.056 31.716 31.700 -0.066 0.000 0.792 1209 A N 0.269 123.059 122.820 -0.049 0.000 2.261 1209 A HA 0.072 4.392 4.320 -0.000 0.000 0.208 1209 A C 1.705 179.241 177.584 -0.080 0.000 1.223 1209 A CA 1.268 53.330 52.037 0.042 0.000 0.833 1209 A CB -1.361 17.732 19.000 0.155 0.000 0.830 1209 A HN 0.392 nan 8.150 nan 0.000 0.483 1210 T N -4.484 109.965 114.554 -0.175 0.000 3.010 1210 T HA 0.355 4.705 4.350 -0.000 0.000 0.257 1210 T C 0.907 175.442 174.700 -0.275 0.000 1.020 1210 T CA 0.436 62.436 62.100 -0.167 0.000 0.938 1210 T CB 0.188 69.033 68.868 -0.039 0.000 1.049 1210 T HN 0.363 nan 8.240 nan 0.000 0.522 1211 G N 0.328 108.938 108.800 -0.317 0.000 2.395 1211 G HA2 0.559 4.519 3.960 -0.000 0.000 0.283 1211 G HA3 0.559 4.519 3.960 -0.000 0.000 0.283 1211 G C -1.431 173.268 174.900 -0.335 0.000 1.178 1211 G CA -0.453 44.531 45.100 -0.195 0.000 0.837 1211 G HN 0.349 nan 8.290 nan 0.000 0.518 1212 Y N -0.661 119.728 120.300 0.148 0.000 2.638 1212 Y HA 0.615 5.165 4.550 -0.000 0.000 0.339 1212 Y C 0.435 176.500 175.900 0.276 0.000 1.084 1212 Y CA -0.828 57.401 58.100 0.215 0.000 1.068 1212 Y CB 2.492 41.117 38.460 0.276 0.000 1.294 1212 Y HN 0.604 nan 8.280 nan 0.000 0.480 1213 T N 0.928 115.788 114.554 0.510 0.000 2.812 1213 T HA 0.574 4.924 4.350 -0.000 0.000 0.282 1213 T C -0.879 174.058 174.700 0.395 0.000 0.990 1213 T CA -0.809 61.548 62.100 0.429 0.000 0.960 1213 T CB 0.616 69.690 68.868 0.343 0.000 0.948 1213 T HN 0.400 nan 8.240 nan 0.000 0.438 1214 L N 2.765 124.195 121.223 0.345 0.000 2.361 1214 L HA 0.374 4.714 4.340 -0.000 0.000 0.278 1214 L C 0.732 177.577 176.870 -0.042 0.000 1.113 1214 L CA -0.123 54.709 54.840 -0.014 0.000 0.849 1214 L CB 0.361 42.295 42.059 -0.208 0.000 1.155 1214 L HN 0.744 nan 8.230 nan 0.000 0.452 1215 E N 3.935 123.963 120.200 -0.286 0.000 2.376 1215 E HA 0.269 4.619 4.350 -0.000 0.000 0.236 1215 E C -1.110 175.275 176.600 -0.359 0.000 0.962 1215 E CA -0.710 55.552 56.400 -0.231 0.000 0.768 1215 E CB 0.600 30.223 29.700 -0.130 0.000 1.236 1215 E HN 0.303 nan 8.360 nan 0.000 0.431 1216 F N 2.103 122.038 119.950 -0.026 0.000 2.533 1216 F HA 0.126 4.652 4.527 -0.000 0.000 0.378 1216 F C 1.240 176.987 175.800 -0.088 0.000 1.070 1216 F CA 0.097 58.078 58.000 -0.032 0.000 1.172 1216 F CB 0.373 39.418 39.000 0.075 0.000 1.085 1216 F HN 0.148 nan 8.300 nan 0.000 0.552 1217 R N 2.442 122.963 120.500 0.036 0.000 3.057 1217 R HA 0.241 4.581 4.340 -0.000 0.000 0.291 1217 R C -0.454 175.851 176.300 0.008 0.000 1.394 1217 R CA -0.344 55.746 56.100 -0.018 0.000 1.630 1217 R CB 0.641 30.888 30.300 -0.088 0.000 1.268 1217 R HN 0.740 nan 8.270 nan 0.000 0.621 1218 S N 0.144 115.870 115.700 0.043 0.000 3.416 1218 S HA -0.181 4.289 4.470 -0.000 0.000 0.534 1218 S C 1.149 175.773 174.600 0.040 0.000 0.664 1218 S CA 0.851 59.071 58.200 0.032 0.000 1.377 1218 S CB -0.762 62.439 63.200 0.002 0.000 1.037 1218 S HN 1.047 nan 8.310 nan 0.000 0.845 1219 G N 3.214 112.048 108.800 0.058 0.000 2.480 1219 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.246 1219 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.246 1219 G C 0.231 175.187 174.900 0.093 0.000 1.073 1219 G CA 1.179 46.315 45.100 0.059 0.000 0.643 1219 G HN 0.717 nan 8.290 nan 0.000 0.525 1220 K N -0.071 120.378 120.400 0.081 0.000 2.240 1220 K HA 0.823 5.143 4.320 -0.000 0.000 0.237 1220 K C -0.308 176.342 176.600 0.084 0.000 1.027 1220 K CA -0.637 55.693 56.287 0.072 0.000 0.937 1220 K CB 1.977 34.482 32.500 0.008 0.000 1.171 1220 K HN 0.437 nan 8.250 nan 0.000 0.479 1221 V N -0.486 119.410 119.914 -0.030 0.000 2.971 1221 V HA 0.667 4.787 4.120 -0.000 0.000 0.309 1221 V C -1.641 174.238 176.094 -0.357 0.000 1.130 1221 V CA -0.730 61.407 62.300 -0.271 0.000 0.964 1221 V CB 2.123 33.703 31.823 -0.406 0.000 1.029 1221 V HN 0.899 nan 8.190 nan 0.000 0.427 1222 A N 4.438 126.955 122.820 -0.505 0.000 2.393 1222 A HA 0.882 5.202 4.320 -0.000 0.000 0.306 1222 A C -1.471 175.874 177.584 -0.398 0.000 1.050 1222 A CA -0.370 51.431 52.037 -0.393 0.000 0.724 1222 A CB 1.125 19.843 19.000 -0.470 0.000 1.248 1222 A HN 0.621 nan 8.150 nan 0.000 0.424 1223 F N 1.552 121.536 119.950 0.056 0.000 2.405 1223 F HA 0.506 5.033 4.527 -0.000 0.000 0.355 1223 F C 0.930 176.937 175.800 0.345 0.000 1.121 1223 F CA -0.074 57.959 58.000 0.055 0.000 1.112 1223 F CB 1.408 40.251 39.000 -0.261 0.000 1.126 1223 F HN 0.575 nan 8.300 nan 0.000 0.481 1224 R N 3.153 124.001 120.500 0.580 0.000 2.255 1224 R HA 0.244 4.584 4.340 -0.000 0.000 0.326 1224 R C -0.794 175.796 176.300 0.482 0.000 0.986 1224 R CA -0.742 55.649 56.100 0.485 0.000 0.847 1224 R CB 0.656 31.199 30.300 0.406 0.000 1.111 1224 R HN 0.747 nan 8.270 nan 0.000 0.452 1225 D N 2.167 122.749 120.400 0.303 0.000 2.423 1225 D HA -0.001 4.639 4.640 -0.000 0.000 0.255 1225 D C 1.524 177.787 176.300 -0.062 0.000 1.174 1225 D CA -0.721 53.332 54.000 0.090 0.000 1.008 1225 D CB 0.526 41.302 40.800 -0.041 0.000 1.101 1225 D HN 0.617 nan 8.370 nan 0.000 0.516 1226 C N -0.797 118.415 119.300 -0.146 0.000 2.401 1226 C HA -0.144 4.316 4.460 -0.000 0.000 0.276 1226 C C 1.823 176.752 174.990 -0.102 0.000 1.233 1226 C CA 0.707 59.662 59.018 -0.105 0.000 1.753 1226 C CB -1.020 26.655 27.740 -0.108 0.000 2.029 1226 C HN 0.550 nan 8.230 nan 0.000 0.478 1227 E N 1.300 121.400 120.200 -0.167 0.000 2.029 1227 E HA 0.211 4.561 4.350 -0.000 0.000 0.217 1227 E C 2.019 178.542 176.600 -0.129 0.000 0.903 1227 E CA 1.700 58.010 56.400 -0.150 0.000 1.062 1227 E CB -0.759 28.810 29.700 -0.219 0.000 0.908 1227 E HN 0.702 nan 8.360 nan 0.000 0.569 1228 G N -0.505 108.194 108.800 -0.169 0.000 3.668 1228 G HA2 0.049 4.009 3.960 -0.000 0.000 0.185 1228 G HA3 0.049 4.009 3.960 -0.000 0.000 0.185 1228 G C 0.216 174.902 174.900 -0.357 0.000 1.159 1228 G CA -0.416 44.557 45.100 -0.212 0.000 0.875 1228 G HN -0.045 nan 8.290 nan 0.000 0.689 1229 R N -0.052 120.293 120.500 -0.259 0.000 2.652 1229 R HA 0.625 4.965 4.340 -0.000 0.000 0.271 1229 R C -0.989 175.168 176.300 -0.238 0.000 1.129 1229 R CA -0.079 55.885 56.100 -0.226 0.000 1.200 1229 R CB 0.184 30.454 30.300 -0.049 0.000 1.146 1229 R HN 0.262 nan 8.270 nan 0.000 0.581 1230 Y N 0.204 120.571 120.300 0.112 0.000 2.341 1230 Y HA 0.278 4.828 4.550 -0.000 0.000 0.338 1230 Y C -0.364 175.642 175.900 0.176 0.000 0.965 1230 Y CA -1.419 56.769 58.100 0.146 0.000 1.108 1230 Y CB 1.324 39.847 38.460 0.105 0.000 1.180 1230 Y HN 0.107 nan 8.280 nan 0.000 0.458 1231 L N 3.295 124.752 121.223 0.389 0.000 2.559 1231 L HA 0.270 4.610 4.340 -0.000 0.000 0.282 1231 L C 0.173 177.273 176.870 0.383 0.000 1.232 1231 L CA 0.505 55.528 54.840 0.304 0.000 0.885 1231 L CB -0.407 41.750 42.059 0.164 0.000 1.131 1231 L HN 0.795 nan 8.230 nan 0.000 0.498 1232 A N 5.899 128.905 122.820 0.311 0.000 2.589 1232 A HA 0.732 5.052 4.320 -0.000 0.000 0.296 1232 A C -2.755 174.966 177.584 0.228 0.000 1.062 1232 A CA -1.129 51.086 52.037 0.296 0.000 0.686 1232 A CB 1.608 20.703 19.000 0.158 0.000 1.282 1232 A HN 0.498 nan 8.150 nan 0.000 0.404 1233 P HA 0.169 nan 4.420 nan 0.000 0.266 1233 P C 0.155 177.508 177.300 0.089 0.000 1.195 1233 P CA 0.534 63.718 63.100 0.141 0.000 0.768 1233 P CB 1.192 32.952 31.700 0.099 0.000 0.838 1234 S N 2.120 117.867 115.700 0.078 0.000 3.171 1234 S HA 0.363 4.833 4.470 -0.000 0.000 0.170 1234 S C 1.410 176.036 174.600 0.043 0.000 0.773 1234 S CA 0.292 58.528 58.200 0.059 0.000 1.114 1234 S CB -0.955 62.282 63.200 0.061 0.000 0.657 1234 S HN 0.680 nan 8.310 nan 0.000 0.624 1235 G N 2.432 111.256 108.800 0.040 0.000 2.268 1235 G HA2 0.040 4.000 3.960 -0.000 0.000 0.330 1235 G HA3 0.040 4.000 3.960 -0.000 0.000 0.330 1235 G C -1.489 173.428 174.900 0.028 0.000 1.413 1235 G CA 0.261 45.380 45.100 0.031 0.000 1.094 1235 G HN 0.445 nan 8.290 nan 0.000 0.581 1236 P HA -0.038 nan 4.420 nan 0.000 0.225 1236 P C 1.727 179.045 177.300 0.029 0.000 1.156 1236 P CA 1.833 64.945 63.100 0.021 0.000 0.787 1236 P CB 0.094 31.805 31.700 0.018 0.000 0.802 1237 S N -1.235 114.489 115.700 0.040 0.000 2.528 1237 S HA 0.246 4.716 4.470 -0.000 0.000 0.219 1237 S C 1.616 176.255 174.600 0.066 0.000 0.985 1237 S CA 0.563 58.797 58.200 0.056 0.000 0.914 1237 S CB -1.414 61.823 63.200 0.061 0.000 0.776 1237 S HN 0.286 nan 8.310 nan 0.000 0.526 1238 G N 1.429 110.263 108.800 0.055 0.000 2.221 1238 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.265 1238 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.265 1238 G C 0.111 175.060 174.900 0.083 0.000 1.041 1238 G CA 0.221 45.360 45.100 0.066 0.000 0.807 1238 G HN 0.630 nan 8.290 nan 0.000 0.502 1239 T N 0.112 114.707 114.554 0.068 0.000 2.903 1239 T HA 0.127 4.477 4.350 -0.000 0.000 0.299 1239 T C 0.966 175.712 174.700 0.077 0.000 1.041 1239 T CA 0.347 62.485 62.100 0.063 0.000 1.138 1239 T CB 0.764 69.662 68.868 0.050 0.000 1.040 1239 T HN 0.385 nan 8.240 nan 0.000 0.524 1240 L N 5.096 126.356 121.223 0.062 0.000 2.276 1240 L HA 0.488 4.828 4.340 -0.000 0.000 0.286 1240 L C 0.412 177.322 176.870 0.068 0.000 1.061 1240 L CA -0.117 54.762 54.840 0.066 0.000 0.807 1240 L CB 0.199 42.252 42.059 -0.010 0.000 1.177 1240 L HN 0.758 nan 8.230 nan 0.000 0.429 1241 K N 3.168 123.634 120.400 0.110 0.000 2.615 1241 K HA 0.617 4.937 4.320 -0.000 0.000 0.291 1241 K C -1.276 175.437 176.600 0.189 0.000 1.017 1241 K CA -0.983 55.389 56.287 0.141 0.000 0.882 1241 K CB 1.095 33.663 32.500 0.113 0.000 1.522 1241 K HN 0.399 nan 8.250 nan 0.000 0.412 1242 A N 0.680 123.647 122.820 0.244 0.000 2.483 1242 A HA 0.494 4.814 4.320 -0.000 0.000 0.238 1242 A C 0.560 178.246 177.584 0.170 0.000 1.070 1242 A CA 0.751 52.927 52.037 0.231 0.000 0.770 1242 A CB -0.110 19.025 19.000 0.226 0.000 1.008 1242 A HN 0.783 nan 8.150 nan 0.000 0.497 1243 G N -0.059 108.837 108.800 0.159 0.000 2.583 1243 G HA2 0.468 4.428 3.960 -0.000 0.000 0.280 1243 G HA3 0.468 4.428 3.960 -0.000 0.000 0.280 1243 G C 0.519 175.473 174.900 0.090 0.000 1.376 1243 G CA -0.378 44.799 45.100 0.129 0.000 1.043 1243 G HN 0.608 nan 8.290 nan 0.000 0.538 1244 K N -0.338 120.109 120.400 0.078 0.000 2.214 1244 K HA 0.271 4.591 4.320 -0.000 0.000 0.201 1244 K C 1.497 178.127 176.600 0.051 0.000 1.049 1244 K CA 0.490 56.809 56.287 0.054 0.000 0.978 1244 K CB -0.651 31.878 32.500 0.047 0.000 0.842 1244 K HN 0.466 nan 8.250 nan 0.000 0.474 1245 A N 1.839 124.705 122.820 0.077 0.000 2.455 1245 A HA 0.120 4.440 4.320 -0.000 0.000 0.244 1245 A C 1.048 178.683 177.584 0.084 0.000 1.099 1245 A CA 0.996 53.089 52.037 0.094 0.000 0.786 1245 A CB -0.004 19.076 19.000 0.133 0.000 1.051 1245 A HN 0.435 nan 8.150 nan 0.000 0.508 1246 T N -2.525 112.084 114.554 0.090 0.000 3.043 1246 T HA 0.336 4.686 4.350 -0.000 0.000 0.272 1246 T C 0.243 175.057 174.700 0.190 0.000 0.990 1246 T CA 0.183 62.298 62.100 0.024 0.000 0.897 1246 T CB -0.080 68.790 68.868 0.003 0.000 1.111 1246 T HN 0.618 nan 8.240 nan 0.000 0.529 1247 K N 1.655 122.249 120.400 0.322 0.000 2.427 1247 K HA 0.557 4.876 4.320 -0.000 0.000 0.252 1247 K C -0.616 176.101 176.600 0.196 0.000 0.931 1247 K CA -0.932 55.566 56.287 0.351 0.000 0.793 1247 K CB 2.821 35.404 32.500 0.139 0.000 1.211 1247 K HN 0.029 nan 8.250 nan 0.000 0.426 1248 V N 4.578 124.398 119.914 -0.157 0.000 2.486 1248 V HA 0.143 4.263 4.120 -0.000 0.000 0.290 1248 V C 0.341 176.336 176.094 -0.165 0.000 0.991 1248 V CA 1.389 63.438 62.300 -0.418 0.000 1.142 1248 V CB -0.321 31.189 31.823 -0.522 0.000 0.926 1248 V HN 0.887 nan 8.190 nan 0.000 0.472 1249 G N 5.708 114.439 108.800 -0.115 0.000 3.075 1249 G HA2 0.330 4.290 3.960 -0.000 0.000 0.156 1249 G HA3 0.330 4.290 3.960 -0.000 0.000 0.156 1249 G C 0.486 175.321 174.900 -0.108 0.000 1.403 1249 G CA 0.075 45.130 45.100 -0.075 0.000 1.033 1249 G HN 0.658 nan 8.290 nan 0.000 0.589 1250 K N -0.744 119.597 120.400 -0.099 0.000 2.262 1250 K HA 0.135 4.455 4.320 -0.000 0.000 0.200 1250 K C 1.739 178.229 176.600 -0.183 0.000 1.058 1250 K CA 0.483 56.693 56.287 -0.128 0.000 0.974 1250 K CB 0.281 32.722 32.500 -0.099 0.000 0.910 1250 K HN 0.188 nan 8.250 nan 0.000 0.484 1251 D N 1.181 121.492 120.400 -0.148 0.000 2.378 1251 D HA -0.087 4.553 4.640 -0.000 0.000 0.222 1251 D C 0.887 177.052 176.300 -0.224 0.000 0.980 1251 D CA 0.916 54.808 54.000 -0.180 0.000 0.907 1251 D CB 0.194 40.944 40.800 -0.084 0.000 0.899 1251 D HN 0.133 nan 8.370 nan 0.000 0.527 1252 E N -0.506 119.589 120.200 -0.176 0.000 2.447 1252 E HA 0.173 4.523 4.350 -0.000 0.000 0.195 1252 E C 0.198 176.674 176.600 -0.205 0.000 1.028 1252 E CA 0.003 56.337 56.400 -0.110 0.000 0.876 1252 E CB 0.391 30.034 29.700 -0.094 0.000 0.885 1252 E HN 0.260 nan 8.360 nan 0.000 0.500 1253 L N 0.998 122.018 121.223 -0.338 0.000 2.326 1253 L HA 0.380 4.720 4.340 -0.000 0.000 0.278 1253 L C -0.589 175.969 176.870 -0.520 0.000 1.092 1253 L CA -0.290 54.373 54.840 -0.295 0.000 0.810 1253 L CB 0.490 42.429 42.059 -0.200 0.000 1.153 1253 L HN -0.047 nan 8.230 nan 0.000 0.439 1254 F N 0.932 120.849 119.950 -0.056 0.000 2.588 1254 F HA 0.604 5.131 4.527 -0.000 0.000 0.310 1254 F C 0.169 175.996 175.800 0.045 0.000 1.082 1254 F CA -0.691 57.320 58.000 0.018 0.000 0.929 1254 F CB 1.895 40.946 39.000 0.085 0.000 1.254 1254 F HN 0.382 nan 8.300 nan 0.000 0.455 1255 A N 3.408 126.426 122.820 0.330 0.000 2.292 1255 A HA 0.789 5.109 4.320 -0.000 0.000 0.319 1255 A C -1.087 176.647 177.584 0.251 0.000 1.206 1255 A CA -0.542 51.642 52.037 0.244 0.000 0.835 1255 A CB 0.402 19.543 19.000 0.235 0.000 1.164 1255 A HN 0.763 nan 8.150 nan 0.000 0.505 1256 L N 3.025 124.365 121.223 0.195 0.000 2.265 1256 L HA 0.391 4.731 4.340 -0.000 0.000 0.289 1256 L C -0.079 176.876 176.870 0.141 0.000 1.033 1256 L CA -0.140 54.812 54.840 0.187 0.000 0.814 1256 L CB 1.102 43.268 42.059 0.179 0.000 1.203 1256 L HN 0.772 nan 8.230 nan 0.000 0.423 1257 E N 2.796 123.087 120.200 0.152 0.000 2.207 1257 E HA 0.307 4.657 4.350 -0.000 0.000 0.270 1257 E C -1.074 175.569 176.600 0.070 0.000 0.927 1257 E CA -0.998 55.465 56.400 0.106 0.000 0.799 1257 E CB 1.717 31.494 29.700 0.128 0.000 1.172 1257 E HN 0.493 nan 8.360 nan 0.000 0.404 1258 Q N 0.656 120.471 119.800 0.026 0.000 2.337 1258 Q HA 0.162 4.502 4.340 -0.000 0.000 0.270 1258 Q C -0.340 175.620 176.000 -0.066 0.000 1.002 1258 Q CA -0.205 55.576 55.803 -0.037 0.000 0.888 1258 Q CB 0.904 29.605 28.738 -0.062 0.000 1.222 1258 Q HN 0.262 nan 8.270 nan 0.000 0.400 1259 S N 2.593 118.220 115.700 -0.121 0.000 2.448 1259 S HA 0.178 4.648 4.470 -0.000 0.000 0.279 1259 S C -0.355 174.141 174.600 -0.173 0.000 1.195 1259 S CA -0.812 57.308 58.200 -0.134 0.000 1.051 1259 S CB -0.075 63.046 63.200 -0.132 0.000 0.948 1259 S HN 0.709 nan 8.310 nan 0.000 0.493 1260 C N 4.782 124.004 119.300 -0.130 0.000 2.652 1260 C HA 0.588 5.048 4.460 -0.000 0.000 0.412 1260 C C 1.263 176.226 174.990 -0.045 0.000 1.294 1260 C CA -0.683 58.280 59.018 -0.091 0.000 2.127 1260 C CB -0.425 27.270 27.740 -0.074 0.000 2.691 1260 C HN 0.977 nan 8.230 nan 0.000 0.615 1261 A N 3.852 126.749 122.820 0.127 0.000 2.540 1261 A HA 0.279 4.599 4.320 -0.000 0.000 0.239 1261 A C -0.088 177.423 177.584 -0.123 0.000 1.061 1261 A CA 0.464 52.582 52.037 0.135 0.000 0.758 1261 A CB 0.108 19.212 19.000 0.173 0.000 0.991 1261 A HN 0.906 nan 8.150 nan 0.000 0.502 1262 Q N 0.483 120.178 119.800 -0.175 0.000 2.340 1262 Q HA 0.564 4.903 4.340 -0.000 0.000 0.268 1262 Q C -0.664 175.211 176.000 -0.208 0.000 1.031 1262 Q CA -0.662 54.967 55.803 -0.290 0.000 0.804 1262 Q CB 2.215 30.672 28.738 -0.468 0.000 1.286 1262 Q HN 0.820 nan 8.270 nan 0.000 0.448 1263 V N -0.718 119.105 119.914 -0.152 0.000 3.126 1263 V HA 0.786 4.906 4.120 -0.000 0.000 0.314 1263 V C -0.751 175.338 176.094 -0.009 0.000 1.138 1263 V CA -0.852 61.401 62.300 -0.078 0.000 1.034 1263 V CB 2.114 33.915 31.823 -0.036 0.000 1.075 1263 V HN 0.433 nan 8.190 nan 0.000 0.442 1264 V N 2.674 122.582 119.914 -0.010 0.000 2.409 1264 V HA 0.457 4.577 4.120 -0.000 0.000 0.290 1264 V C -0.271 175.861 176.094 0.063 0.000 1.017 1264 V CA -0.296 62.030 62.300 0.043 0.000 0.841 1264 V CB 1.201 33.012 31.823 -0.020 0.000 1.003 1264 V HN 0.765 nan 8.190 nan 0.000 0.426 1265 L N 4.392 125.685 121.223 0.117 0.000 2.326 1265 L HA 0.591 4.931 4.340 -0.000 0.000 0.278 1265 L C 0.013 176.987 176.870 0.175 0.000 1.092 1265 L CA -0.150 54.744 54.840 0.090 0.000 0.810 1265 L CB 1.168 43.177 42.059 -0.084 0.000 1.153 1265 L HN 0.627 nan 8.230 nan 0.000 0.439 1266 Q N 1.980 121.922 119.800 0.237 0.000 2.331 1266 Q HA 0.653 4.993 4.340 -0.000 0.000 0.267 1266 Q C -0.808 175.367 176.000 0.291 0.000 1.006 1266 Q CA -0.564 55.373 55.803 0.224 0.000 0.818 1266 Q CB 2.126 30.961 28.738 0.161 0.000 1.276 1266 Q HN 0.781 nan 8.270 nan 0.000 0.450 1267 A N 2.314 125.271 122.820 0.228 0.000 2.259 1267 A HA 0.622 4.942 4.320 -0.000 0.000 0.278 1267 A C 0.845 178.355 177.584 -0.124 0.000 1.107 1267 A CA 0.335 52.361 52.037 -0.018 0.000 0.828 1267 A CB 0.293 19.343 19.000 0.083 0.000 1.111 1267 A HN 0.994 nan 8.150 nan 0.000 0.498 1268 A N 0.214 122.875 122.820 -0.264 0.000 2.070 1268 A HA -0.153 4.167 4.320 -0.000 0.000 0.220 1268 A C 1.547 179.084 177.584 -0.078 0.000 1.159 1268 A CA 1.973 53.915 52.037 -0.158 0.000 0.656 1268 A CB -0.974 17.915 19.000 -0.185 0.000 0.800 1268 A HN 1.063 nan 8.150 nan 0.000 0.453 1269 N N -0.570 118.094 118.700 -0.060 0.000 2.571 1269 N HA -0.080 4.660 4.740 -0.000 0.000 0.189 1269 N C 0.076 175.583 175.510 -0.006 0.000 1.154 1269 N CA 1.009 54.043 53.050 -0.026 0.000 0.907 1269 N CB -0.482 37.997 38.487 -0.014 0.000 0.977 1269 N HN 0.572 nan 8.380 nan 0.000 0.449 1270 E N -2.021 118.178 120.200 -0.001 0.000 2.596 1270 E HA -0.207 4.143 4.350 -0.000 0.000 0.272 1270 E C -0.658 175.965 176.600 0.038 0.000 1.039 1270 E CA 0.197 56.610 56.400 0.021 0.000 0.804 1270 E CB -1.138 28.571 29.700 0.015 0.000 1.373 1270 E HN 0.362 nan 8.360 nan 0.000 0.404 1271 R N 0.161 120.692 120.500 0.051 0.000 2.960 1271 R HA 0.490 4.830 4.340 -0.000 0.000 0.249 1271 R C -0.705 175.653 176.300 0.097 0.000 1.192 1271 R CA -0.780 55.358 56.100 0.064 0.000 1.035 1271 R CB 0.812 31.144 30.300 0.053 0.000 1.234 1271 R HN -0.051 nan 8.270 nan 0.000 0.493 1272 N N 0.069 118.828 118.700 0.098 0.000 2.417 1272 N HA 0.190 4.930 4.740 -0.000 0.000 0.274 1272 N C -1.068 174.529 175.510 0.145 0.000 0.987 1272 N CA -0.515 52.611 53.050 0.127 0.000 0.912 1272 N CB 1.871 40.422 38.487 0.106 0.000 1.177 1272 N HN 0.358 nan 8.380 nan 0.000 0.490 1273 V N 2.035 122.054 119.914 0.175 0.000 2.585 1273 V HA 0.457 4.577 4.120 -0.000 0.000 0.296 1273 V C 0.371 176.638 176.094 0.289 0.000 1.035 1273 V CA 0.293 62.682 62.300 0.148 0.000 1.084 1273 V CB 0.033 31.875 31.823 0.030 0.000 0.953 1273 V HN 0.806 nan 8.190 nan 0.000 0.483 1274 S N 4.496 120.326 115.700 0.217 0.000 2.697 1274 S HA 0.926 5.396 4.470 -0.000 0.000 0.289 1274 S C -0.326 174.397 174.600 0.205 0.000 1.149 1274 S CA -0.103 58.255 58.200 0.264 0.000 0.850 1274 S CB 2.198 65.474 63.200 0.127 0.000 1.151 1274 S HN 1.577 nan 8.310 nan 0.000 0.491 1280 D N 2.459 122.834 120.400 -0.042 0.000 2.280 1280 D HA 0.666 5.306 4.640 -0.000 0.000 0.236 1280 D C -0.203 176.025 176.300 -0.120 0.000 1.082 1280 D CA -0.184 53.764 54.000 -0.087 0.000 0.834 1280 D CB 1.119 41.878 40.800 -0.068 0.000 1.100 1280 D HN 0.702 nan 8.370 nan 0.000 0.486 1281 L N 1.304 122.388 121.223 -0.231 0.000 2.483 1281 L HA 0.462 4.802 4.340 -0.000 0.000 0.276 1281 L C 0.448 177.192 176.870 -0.210 0.000 1.213 1281 L CA -0.187 54.493 54.840 -0.266 0.000 0.843 1281 L CB 0.139 41.838 42.059 -0.600 0.000 1.107 1281 L HN 0.331 nan 8.230 nan 0.000 0.487 1282 S N 0.323 115.956 115.700 -0.113 0.000 2.556 1282 S HA 0.633 5.103 4.470 -0.000 0.000 0.280 1282 S C -0.642 173.962 174.600 0.007 0.000 1.141 1282 S CA -0.609 57.557 58.200 -0.057 0.000 0.883 1282 S CB 1.331 64.508 63.200 -0.038 0.000 1.103 1282 S HN 0.937 nan 8.310 nan 0.000 0.453 1283 A N 2.748 125.590 122.820 0.038 0.000 2.785 1283 A HA 0.403 4.723 4.320 -0.000 0.000 0.294 1283 A C 1.041 178.653 177.584 0.046 0.000 1.597 1283 A CA -0.049 52.029 52.037 0.069 0.000 1.283 1283 A CB -1.233 17.825 19.000 0.096 0.000 1.088 1283 A HN 0.877 nan 8.150 nan 0.000 0.568 1284 N N 0.897 119.624 118.700 0.044 0.000 2.167 1284 N HA 0.047 4.787 4.740 -0.000 0.000 0.234 1284 N C -0.795 174.738 175.510 0.037 0.000 1.312 1284 N CA -0.276 52.794 53.050 0.033 0.000 0.861 1284 N CB 0.639 39.140 38.487 0.023 0.000 1.217 1284 N HN 0.453 nan 8.380 nan 0.000 0.504 1285 Q N 1.677 121.506 119.800 0.049 0.000 2.337 1285 Q HA 0.167 4.507 4.340 -0.000 0.000 0.270 1285 Q C -0.835 175.194 176.000 0.047 0.000 1.043 1285 Q CA -0.194 55.636 55.803 0.045 0.000 0.794 1285 Q CB 2.265 31.032 28.738 0.049 0.000 1.281 1285 Q HN 0.395 nan 8.270 nan 0.000 0.446 1286 D N -0.518 119.905 120.400 0.038 0.000 2.427 1286 D HA 0.097 4.737 4.640 -0.000 0.000 0.224 1286 D C -0.093 176.229 176.300 0.036 0.000 1.157 1286 D CA 0.106 54.129 54.000 0.039 0.000 0.828 1286 D CB 0.658 41.478 40.800 0.033 0.000 0.974 1286 D HN 0.277 nan 8.370 nan 0.000 0.498 1287 E N 0.065 120.285 120.200 0.034 0.000 2.285 1287 E HA 0.418 4.768 4.350 -0.000 0.000 0.254 1287 E C -0.526 176.090 176.600 0.026 0.000 1.011 1287 E CA -0.922 55.495 56.400 0.028 0.000 0.873 1287 E CB 1.256 30.970 29.700 0.022 0.000 1.229 1287 E HN 0.053 nan 8.360 nan 0.000 0.422 1288 E N 1.152 121.361 120.200 0.016 0.000 3.132 1288 E HA 0.141 4.491 4.350 -0.000 0.000 0.241 1288 E C -1.258 175.340 176.600 -0.004 0.000 1.196 1288 E CA -0.165 56.237 56.400 0.005 0.000 0.869 1288 E CB 1.070 30.771 29.700 0.002 0.000 1.387 1288 E HN 0.460 nan 8.360 nan 0.000 0.393 1289 T N -2.309 112.237 114.554 -0.013 0.000 2.938 1289 T HA 0.209 4.559 4.350 -0.000 0.000 0.285 1289 T C 0.873 175.546 174.700 -0.045 0.000 1.028 1289 T CA -0.759 61.334 62.100 -0.011 0.000 1.005 1289 T CB 1.292 70.156 68.868 -0.007 0.000 1.157 1289 T HN -0.043 nan 8.240 nan 0.000 0.550 1290 D N 0.437 120.833 120.400 -0.007 0.000 2.357 1290 D HA -0.123 4.517 4.640 -0.000 0.000 0.216 1290 D C 1.803 177.862 176.300 -0.402 0.000 0.973 1290 D CA 0.903 54.904 54.000 0.001 0.000 0.912 1290 D CB 0.126 40.968 40.800 0.071 0.000 0.900 1290 D HN 0.497 nan 8.370 nan 0.000 0.501 1291 Q N 0.115 119.720 119.800 -0.324 0.000 2.245 1291 Q HA -0.060 4.280 4.340 -0.000 0.000 0.201 1291 Q C 0.904 176.745 176.000 -0.266 0.000 0.955 1291 Q CA 0.777 56.360 55.803 -0.366 0.000 0.870 1291 Q CB 0.137 28.800 28.738 -0.126 0.000 0.945 1291 Q HN 0.316 nan 8.270 nan 0.000 0.461 1292 E N 0.006 120.087 120.200 -0.198 0.000 2.499 1292 E HA 0.116 4.466 4.350 -0.000 0.000 0.199 1292 E C -0.686 175.750 176.600 -0.272 0.000 1.016 1292 E CA 0.054 56.392 56.400 -0.104 0.000 0.933 1292 E CB 0.959 30.668 29.700 0.016 0.000 1.050 1292 E HN -0.057 nan 8.360 nan 0.000 0.462 1293 T N 0.836 115.091 114.554 -0.499 0.000 2.809 1293 T HA 0.474 4.824 4.350 -0.000 0.000 0.296 1293 T C -0.659 173.681 174.700 -0.600 0.000 1.015 1293 T CA -0.537 61.326 62.100 -0.395 0.000 0.954 1293 T CB 0.200 68.952 68.868 -0.193 0.000 0.950 1293 T HN -0.078 nan 8.240 nan 0.000 0.450 1294 F N 1.518 121.486 119.950 0.030 0.000 2.483 1294 F HA 0.525 5.052 4.527 -0.000 0.000 0.329 1294 F C 0.697 176.418 175.800 -0.132 0.000 1.064 1294 F CA -1.291 56.743 58.000 0.057 0.000 0.986 1294 F CB 1.479 40.472 39.000 -0.012 0.000 1.218 1294 F HN 0.338 nan 8.300 nan 0.000 0.484 1295 Q N 2.442 122.264 119.800 0.037 0.000 2.390 1295 Q HA 0.405 4.745 4.340 -0.000 0.000 0.249 1295 Q C -1.161 174.774 176.000 -0.109 0.000 0.996 1295 Q CA -0.819 54.897 55.803 -0.145 0.000 0.899 1295 Q CB 0.932 29.592 28.738 -0.129 0.000 1.216 1295 Q HN 0.722 nan 8.270 nan 0.000 0.465 1296 L N 4.340 125.450 121.223 -0.188 0.000 2.477 1296 L HA 0.112 4.452 4.340 -0.000 0.000 0.272 1296 L C -0.746 176.010 176.870 -0.190 0.000 1.157 1296 L CA 1.115 55.757 54.840 -0.331 0.000 0.889 1296 L CB 0.424 42.285 42.059 -0.330 0.000 1.158 1296 L HN 0.668 nan 8.230 nan 0.000 0.473 1297 E N 5.379 125.455 120.200 -0.206 0.000 2.220 1297 E HA 0.322 4.672 4.350 -0.000 0.000 0.256 1297 E C -1.047 175.562 176.600 0.015 0.000 0.881 1297 E CA -0.743 55.652 56.400 -0.009 0.000 0.766 1297 E CB 1.624 31.389 29.700 0.109 0.000 1.187 1297 E HN 0.391 nan 8.360 nan 0.000 0.419 1298 I N 1.966 122.583 120.570 0.080 0.000 2.488 1298 I HA 0.100 4.270 4.170 -0.000 0.000 0.299 1298 I C 0.169 176.339 176.117 0.087 0.000 0.984 1298 I CA -0.382 60.974 61.300 0.093 0.000 1.250 1298 I CB 1.262 39.358 38.000 0.160 0.000 1.389 1298 I HN 0.404 nan 8.210 nan 0.000 0.488 1299 D N 3.450 123.850 120.400 -0.001 0.000 2.225 1299 D HA 0.265 4.905 4.640 -0.000 0.000 0.248 1299 D C 1.182 177.465 176.300 -0.029 0.000 1.096 1299 D CA -0.284 53.678 54.000 -0.064 0.000 0.863 1299 D CB 1.005 41.651 40.800 -0.257 0.000 1.156 1299 D HN 0.353 nan 8.370 nan 0.000 0.450 1300 R N 2.315 122.789 120.500 -0.044 0.000 2.132 1300 R HA -0.180 4.160 4.340 -0.000 0.000 0.233 1300 R C 1.072 177.343 176.300 -0.048 0.000 1.125 1300 R CA 2.248 58.316 56.100 -0.054 0.000 0.914 1300 R CB -0.245 29.963 30.300 -0.153 0.000 0.845 1300 R HN 0.662 nan 8.270 nan 0.000 0.431 1301 D N -0.703 119.651 120.400 -0.076 0.000 2.084 1301 D HA -0.135 4.505 4.640 -0.000 0.000 0.199 1301 D C 1.985 178.240 176.300 -0.075 0.000 0.981 1301 D CA 1.976 55.935 54.000 -0.069 0.000 0.841 1301 D CB -1.049 39.708 40.800 -0.072 0.000 0.997 1301 D HN 0.355 nan 8.370 nan 0.000 0.454 1302 T N -1.250 113.231 114.554 -0.122 0.000 2.881 1302 T HA -0.170 4.180 4.350 -0.000 0.000 0.270 1302 T C 1.280 175.918 174.700 -0.103 0.000 1.068 1302 T CA 1.944 63.959 62.100 -0.140 0.000 1.131 1302 T CB -0.109 68.597 68.868 -0.270 0.000 0.871 1302 T HN 0.104 nan 8.240 nan 0.000 0.479 1303 K N -0.370 119.977 120.400 -0.088 0.000 3.529 1303 K HA -0.144 4.176 4.320 -0.000 0.000 0.313 1303 K C -0.031 176.565 176.600 -0.006 0.000 1.316 1303 K CA 1.179 57.457 56.287 -0.016 0.000 0.988 1303 K CB -1.478 31.035 32.500 0.022 0.000 1.252 1303 K HN 0.597 nan 8.250 nan 0.000 0.438 1304 K N -0.034 120.307 120.400 -0.100 0.000 2.102 1304 K HA 0.445 4.765 4.320 -0.000 0.000 0.244 1304 K C 0.297 176.883 176.600 -0.024 0.000 1.021 1304 K CA -0.115 56.136 56.287 -0.060 0.000 0.913 1304 K CB 0.886 33.306 32.500 -0.133 0.000 1.062 1304 K HN 0.372 nan 8.250 nan 0.000 0.485 1305 C N -1.588 117.772 119.300 0.099 0.000 2.848 1305 C HA 0.944 5.404 4.460 -0.000 0.000 0.317 1305 C C -0.747 174.348 174.990 0.175 0.000 1.260 1305 C CA -0.981 58.067 59.018 0.050 0.000 1.656 1305 C CB 0.937 28.580 27.740 -0.163 0.000 2.174 1305 C HN 0.757 nan 8.230 nan 0.000 0.479 1306 A N 0.891 123.697 122.820 -0.024 0.000 2.427 1306 A HA 0.805 5.125 4.320 -0.000 0.000 0.298 1306 A C -1.274 176.171 177.584 -0.233 0.000 1.036 1306 A CA -0.297 51.763 52.037 0.038 0.000 0.701 1306 A CB 0.619 19.635 19.000 0.028 0.000 1.250 1306 A HN 0.760 nan 8.150 nan 0.000 0.412 1307 F N 1.202 121.063 119.950 -0.148 0.000 2.394 1307 F HA 0.630 5.157 4.527 -0.000 0.000 0.340 1307 F C 0.905 176.667 175.800 -0.064 0.000 1.105 1307 F CA -0.033 57.719 58.000 -0.414 0.000 1.124 1307 F CB 1.473 39.530 39.000 -1.572 0.000 1.145 1307 F HN 0.624 nan 8.300 nan 0.000 0.505 1308 R N 1.503 122.104 120.500 0.168 0.000 2.445 1308 R HA 0.460 4.800 4.340 -0.000 0.000 0.308 1308 R C -0.499 176.021 176.300 0.366 0.000 0.961 1308 R CA -0.546 55.578 56.100 0.040 0.000 0.862 1308 R CB 1.263 31.441 30.300 -0.203 0.000 1.144 1308 R HN 0.844 nan 8.270 nan 0.000 0.447 1309 T N 0.352 115.103 114.554 0.328 0.000 2.849 1309 T HA 0.057 4.407 4.350 -0.000 0.000 0.284 1309 T C 1.332 176.044 174.700 0.020 0.000 1.004 1309 T CA -0.583 61.742 62.100 0.375 0.000 1.021 1309 T CB 0.839 69.973 68.868 0.444 0.000 1.013 1309 T HN 0.810 nan 8.240 nan 0.000 0.527 1310 H N -0.469 118.281 119.070 -0.534 0.000 2.567 1310 H HA 0.067 4.623 4.556 -0.000 0.000 0.276 1310 H C 0.496 175.400 175.328 -0.707 0.000 1.016 1310 H CA 0.508 55.762 56.048 -1.324 0.000 1.186 1310 H CB -1.192 27.759 29.762 -1.351 0.000 1.351 1310 H HN 0.580 nan 8.280 nan 0.000 0.605 1311 T N 0.951 115.224 114.554 -0.468 0.000 3.242 1311 T HA 0.333 4.683 4.350 -0.000 0.000 0.253 1311 T C 0.972 175.535 174.700 -0.229 0.000 0.946 1311 T CA 0.092 61.940 62.100 -0.420 0.000 0.944 1311 T CB -0.508 68.178 68.868 -0.303 0.000 1.122 1311 T HN 0.683 nan 8.240 nan 0.000 0.546 1312 G N 2.354 110.997 108.800 -0.261 0.000 2.424 1312 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.290 1312 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.290 1312 G C -0.065 174.747 174.900 -0.147 0.000 0.912 1312 G CA 0.543 45.533 45.100 -0.183 0.000 1.142 1312 G HN 0.515 nan 8.290 nan 0.000 0.501 1313 K N -0.833 119.485 120.400 -0.136 0.000 2.501 1313 K HA 0.556 4.876 4.320 -0.000 0.000 0.252 1313 K C -0.413 176.175 176.600 -0.020 0.000 0.934 1313 K CA -0.882 55.375 56.287 -0.050 0.000 0.797 1313 K CB 1.404 33.934 32.500 0.050 0.000 1.270 1313 K HN 0.152 nan 8.250 nan 0.000 0.431 1314 Y N 1.117 121.538 120.300 0.202 0.000 2.307 1314 Y HA 0.228 4.778 4.550 -0.000 0.000 0.324 1314 Y C 0.182 176.300 175.900 0.364 0.000 1.238 1314 Y CA -0.267 57.994 58.100 0.269 0.000 1.280 1314 Y CB 0.544 39.097 38.460 0.155 0.000 1.248 1314 Y HN 0.412 nan 8.280 nan 0.000 0.508 1315 W N 1.835 123.315 121.300 0.300 0.000 2.193 1315 W HA 0.265 4.925 4.660 -0.000 0.000 0.338 1315 W C -0.193 176.464 176.519 0.230 0.000 1.310 1315 W CA -0.665 56.798 57.345 0.196 0.000 1.243 1315 W CB -0.007 29.535 29.460 0.136 0.000 1.165 1315 W HN 0.375 nan 8.180 nan 0.000 0.566 1316 T N 1.881 116.600 114.554 0.276 0.000 2.883 1316 T HA 0.561 4.911 4.350 -0.000 0.000 0.296 1316 T C -1.387 173.388 174.700 0.125 0.000 1.117 1316 T CA -1.014 61.199 62.100 0.189 0.000 1.006 1316 T CB 2.089 71.023 68.868 0.110 0.000 1.191 1316 T HN 0.119 nan 8.240 nan 0.000 0.508 1317 L N 3.117 124.384 121.223 0.074 0.000 2.272 1317 L HA 0.624 4.964 4.340 -0.000 0.000 0.289 1317 L C 0.601 177.477 176.870 0.010 0.000 1.032 1317 L CA 0.095 54.951 54.840 0.027 0.000 0.810 1317 L CB 0.796 42.836 42.059 -0.031 0.000 1.205 1317 L HN 1.072 nan 8.230 nan 0.000 0.422 1318 T N 1.349 115.907 114.554 0.007 0.000 2.893 1318 T HA 0.685 5.035 4.350 -0.000 0.000 0.279 1318 T C 1.148 175.847 174.700 -0.002 0.000 0.991 1318 T CA -0.078 62.023 62.100 0.001 0.000 0.950 1318 T CB 0.983 69.850 68.868 -0.001 0.000 1.223 1318 T HN 0.583 nan 8.240 nan 0.000 0.585 1319 A N 0.789 123.607 122.820 -0.003 0.000 1.841 1319 A HA 0.021 4.341 4.320 -0.000 0.000 0.214 1319 A C 2.377 179.959 177.584 -0.004 0.000 1.195 1319 A CA 2.109 54.144 52.037 -0.004 0.000 0.611 1319 A CB -1.938 17.060 19.000 -0.003 0.000 0.835 1319 A HN 1.001 nan 8.150 nan 0.000 0.443 1320 T N -1.160 113.392 114.554 -0.004 0.000 3.026 1320 T HA 0.190 4.540 4.350 -0.000 0.000 0.271 1320 T C 1.495 176.195 174.700 -0.001 0.000 1.149 1320 T CA 1.437 63.535 62.100 -0.003 0.000 1.088 1320 T CB -0.713 68.153 68.868 -0.005 0.000 0.857 1320 T HN 1.743 nan 8.240 nan 0.000 0.551 1321 G N 0.832 109.633 108.800 0.000 0.000 2.159 1321 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.256 1321 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.256 1321 G C 0.388 175.296 174.900 0.013 0.000 0.977 1321 G CA -0.181 44.923 45.100 0.007 0.000 0.652 1321 G HN 0.979 nan 8.290 nan 0.000 0.531 1322 G N -1.315 107.486 108.800 0.001 0.000 2.651 1322 G HA2 0.594 4.554 3.960 -0.000 0.000 0.260 1322 G HA3 0.594 4.554 3.960 -0.000 0.000 0.260 1322 G C -0.181 174.709 174.900 -0.016 0.000 1.216 1322 G CA 0.248 45.341 45.100 -0.012 0.000 0.913 1322 G HN 1.089 nan 8.290 nan 0.000 0.535 1323 V N 1.200 121.076 119.914 -0.063 0.000 2.443 1323 V HA 0.462 4.582 4.120 -0.000 0.000 0.293 1323 V C -0.051 175.926 176.094 -0.196 0.000 1.021 1323 V CA -0.631 61.607 62.300 -0.103 0.000 0.848 1323 V CB 0.852 32.578 31.823 -0.162 0.000 0.998 1323 V HN 0.979 nan 8.190 nan 0.000 0.424 1324 Q N 2.694 122.419 119.800 -0.126 0.000 2.458 1324 Q HA 0.606 4.946 4.340 -0.000 0.000 0.282 1324 Q C -0.418 175.536 176.000 -0.077 0.000 1.106 1324 Q CA -0.771 54.955 55.803 -0.129 0.000 0.814 1324 Q CB 2.298 31.003 28.738 -0.053 0.000 1.425 1324 Q HN 0.596 nan 8.270 nan 0.000 0.437 1325 S N 0.427 116.102 115.700 -0.041 0.000 3.513 1325 S HA 0.156 4.625 4.470 -0.000 0.000 0.209 1325 S C 0.151 174.813 174.600 0.103 0.000 1.446 1325 S CA -0.350 57.904 58.200 0.091 0.000 1.150 1325 S CB 0.237 63.529 63.200 0.153 0.000 1.266 1325 S HN 0.643 nan 8.310 nan 0.000 0.502 1326 T N 1.690 116.300 114.554 0.094 0.000 3.033 1326 T HA 0.383 4.733 4.350 -0.000 0.000 0.248 1326 T C 1.172 175.932 174.700 0.100 0.000 1.040 1326 T CA 0.521 62.668 62.100 0.078 0.000 1.133 1326 T CB -0.173 68.725 68.868 0.051 0.000 0.895 1326 T HN 0.766 nan 8.240 nan 0.000 0.465 1327 A N 0.799 123.703 122.820 0.139 0.000 2.555 1327 A HA 0.294 4.614 4.320 -0.000 0.000 0.233 1327 A C 1.175 178.875 177.584 0.194 0.000 1.060 1327 A CA 0.243 52.375 52.037 0.158 0.000 0.759 1327 A CB 0.117 19.227 19.000 0.184 0.000 0.995 1327 A HN 0.358 nan 8.150 nan 0.000 0.506 1328 S N -0.546 115.253 115.700 0.164 0.000 2.554 1328 S HA 0.179 4.649 4.470 -0.000 0.000 0.227 1328 S C 0.774 175.505 174.600 0.219 0.000 1.050 1328 S CA 0.409 58.713 58.200 0.172 0.000 0.927 1328 S CB 0.061 63.318 63.200 0.095 0.000 0.859 1328 S HN 1.209 nan 8.310 nan 0.000 0.494 1329 S N 1.193 116.982 115.700 0.148 0.000 2.600 1329 S HA 0.577 5.047 4.470 -0.000 0.000 0.300 1329 S C -1.202 173.360 174.600 -0.065 0.000 1.087 1329 S CA -0.771 57.471 58.200 0.071 0.000 0.965 1329 S CB 1.483 64.704 63.200 0.034 0.000 1.089 1329 S HN 0.065 nan 8.310 nan 0.000 0.496 1330 K N 2.451 122.730 120.400 -0.201 0.000 2.268 1330 K HA 0.323 4.643 4.320 -0.000 0.000 0.276 1330 K C -0.752 175.680 176.600 -0.280 0.000 1.080 1330 K CA -0.345 55.692 56.287 -0.417 0.000 0.910 1330 K CB 0.241 32.360 32.500 -0.635 0.000 1.163 1330 K HN 0.768 nan 8.250 nan 0.000 0.465 1331 N N 0.538 119.084 118.700 -0.257 0.000 2.381 1331 N HA 0.344 5.084 4.740 -0.000 0.000 0.294 1331 N C 0.713 176.132 175.510 -0.152 0.000 1.216 1331 N CA -0.632 52.340 53.050 -0.130 0.000 0.803 1331 N CB 1.123 39.579 38.487 -0.052 0.000 1.372 1331 N HN 0.209 nan 8.380 nan 0.000 0.500 1332 A N 0.881 123.703 122.820 0.003 0.000 1.968 1332 A HA -0.341 3.979 4.320 -0.000 0.000 0.227 1332 A C 2.023 179.586 177.584 -0.034 0.000 1.381 1332 A CA 2.889 54.959 52.037 0.055 0.000 0.697 1332 A CB -1.838 17.187 19.000 0.042 0.000 0.836 1332 A HN 0.734 nan 8.150 nan 0.000 0.497 1333 S N -1.315 114.351 115.700 -0.057 0.000 2.407 1333 S HA -0.246 4.224 4.470 -0.000 0.000 0.235 1333 S C 1.578 176.142 174.600 -0.061 0.000 1.036 1333 S CA 1.583 59.750 58.200 -0.055 0.000 1.013 1333 S CB -0.829 62.358 63.200 -0.021 0.000 0.820 1333 S HN 0.931 nan 8.310 nan 0.000 0.476 1334 C N -0.602 118.622 119.300 -0.127 0.000 2.855 1334 C HA 0.467 4.927 4.460 -0.000 0.000 0.279 1334 C C 0.432 175.401 174.990 -0.035 0.000 1.270 1334 C CA -1.447 57.541 59.018 -0.051 0.000 1.702 1334 C CB -2.043 25.619 27.740 -0.130 0.000 1.949 1334 C HN 0.366 nan 8.230 nan 0.000 0.618 1335 Y N 0.011 120.357 120.300 0.076 0.000 2.360 1335 Y HA 0.625 5.175 4.550 -0.000 0.000 0.337 1335 Y C 0.108 176.017 175.900 0.015 0.000 1.039 1335 Y CA -0.849 57.318 58.100 0.112 0.000 1.109 1335 Y CB 0.997 39.468 38.460 0.019 0.000 1.201 1335 Y HN 0.103 nan 8.280 nan 0.000 0.458 1336 F N 0.901 121.018 119.950 0.278 0.000 2.611 1336 F HA 0.344 4.871 4.527 -0.000 0.000 0.324 1336 F C -0.529 175.334 175.800 0.105 0.000 1.061 1336 F CA -1.135 56.980 58.000 0.192 0.000 0.954 1336 F CB 1.591 40.733 39.000 0.237 0.000 1.301 1336 F HN 0.345 nan 8.300 nan 0.000 0.482 1337 D N 2.566 123.121 120.400 0.259 0.000 2.427 1337 D HA 0.355 4.995 4.640 -0.000 0.000 0.226 1337 D C -0.356 175.953 176.300 0.015 0.000 1.076 1337 D CA 0.010 54.075 54.000 0.108 0.000 0.849 1337 D CB 1.419 42.271 40.800 0.087 0.000 1.052 1337 D HN 0.259 nan 8.370 nan 0.000 0.515 1338 I N 1.789 122.300 120.570 -0.097 0.000 2.396 1338 I HA 0.065 4.235 4.170 -0.000 0.000 0.289 1338 I C 0.809 176.616 176.117 -0.517 0.000 1.056 1338 I CA -0.111 60.954 61.300 -0.392 0.000 1.365 1338 I CB 0.899 38.464 38.000 -0.725 0.000 1.407 1338 I HN 0.147 nan 8.210 nan 0.000 0.509 1339 E N 6.886 126.809 120.200 -0.461 0.000 2.113 1339 E HA 0.216 4.566 4.350 -0.000 0.000 0.273 1339 E C -1.579 174.829 176.600 -0.321 0.000 0.924 1339 E CA -0.775 55.446 56.400 -0.299 0.000 0.764 1339 E CB 0.804 30.374 29.700 -0.216 0.000 1.104 1339 E HN 0.389 nan 8.360 nan 0.000 0.406 1340 W N 4.676 126.025 121.300 0.082 0.000 2.416 1340 W HA 0.293 4.953 4.660 -0.000 0.000 0.318 1340 W C 0.280 176.826 176.519 0.046 0.000 1.150 1340 W CA -0.688 56.717 57.345 0.101 0.000 1.392 1340 W CB 0.615 30.170 29.460 0.158 0.000 1.311 1340 W HN 0.278 nan 8.180 nan 0.000 0.436 1341 R N 3.176 123.780 120.500 0.174 0.000 2.664 1341 R HA 0.084 4.424 4.340 -0.000 0.000 0.281 1341 R C -0.605 175.689 176.300 -0.010 0.000 1.383 1341 R CA -0.792 55.340 56.100 0.054 0.000 1.563 1341 R CB -0.135 30.170 30.300 0.009 0.000 1.131 1341 R HN 0.544 nan 8.270 nan 0.000 0.599 1342 D N 1.822 122.178 120.400 -0.074 0.000 5.698 1342 D HA -0.256 4.384 4.640 -0.000 0.000 0.147 1342 D C 0.501 176.561 176.300 -0.400 0.000 1.063 1342 D CA 0.545 54.298 54.000 -0.411 0.000 0.693 1342 D CB 0.303 40.347 40.800 -1.260 0.000 1.316 1342 D HN 0.535 nan 8.370 nan 0.000 0.740 1343 R N -0.691 119.781 120.500 -0.046 0.000 3.205 1343 R HA -0.177 4.163 4.340 -0.000 0.000 0.425 1343 R C -0.139 176.219 176.300 0.095 0.000 0.465 1343 R CA 1.065 57.205 56.100 0.066 0.000 1.455 1343 R CB -0.911 29.373 30.300 -0.026 0.000 1.999 1343 R HN 0.636 nan 8.270 nan 0.000 0.317 1344 R N -0.252 120.303 120.500 0.092 0.000 2.668 1344 R HA 0.552 4.892 4.340 -0.000 0.000 0.272 1344 R C -1.254 175.123 176.300 0.127 0.000 1.019 1344 R CA -0.617 55.548 56.100 0.108 0.000 0.894 1344 R CB 1.424 31.748 30.300 0.040 0.000 1.228 1344 R HN 0.026 nan 8.270 nan 0.000 0.460 1345 I N -0.179 120.471 120.570 0.133 0.000 2.863 1345 I HA 0.586 4.756 4.170 -0.000 0.000 0.311 1345 I C -0.670 175.457 176.117 0.018 0.000 1.026 1345 I CA -0.412 60.922 61.300 0.056 0.000 1.077 1345 I CB 2.568 40.602 38.000 0.058 0.000 1.262 1345 I HN 0.529 nan 8.210 nan 0.000 0.461 1346 T N 5.910 120.395 114.554 -0.115 0.000 2.890 1346 T HA 0.502 4.852 4.350 -0.000 0.000 0.295 1346 T C -1.178 173.396 174.700 -0.209 0.000 0.993 1346 T CA -0.262 61.736 62.100 -0.169 0.000 0.979 1346 T CB 0.515 69.195 68.868 -0.314 0.000 0.967 1346 T HN 0.172 nan 8.240 nan 0.000 0.441 1347 L N 4.290 125.474 121.223 -0.064 0.000 2.264 1347 L HA 0.500 4.840 4.340 -0.000 0.000 0.287 1347 L C 0.534 177.502 176.870 0.162 0.000 1.039 1347 L CA -0.249 54.620 54.840 0.047 0.000 0.829 1347 L CB 0.803 42.878 42.059 0.026 0.000 1.211 1347 L HN 0.462 nan 8.230 nan 0.000 0.427 1348 R N 3.502 124.092 120.500 0.150 0.000 2.204 1348 R HA 0.706 5.046 4.340 -0.000 0.000 0.341 1348 R C -0.131 176.324 176.300 0.259 0.000 1.035 1348 R CA -0.433 55.864 56.100 0.329 0.000 0.887 1348 R CB 0.722 31.219 30.300 0.329 0.000 1.114 1348 R HN 0.690 nan 8.270 nan 0.000 0.473 1349 A N 2.826 125.761 122.820 0.193 0.000 2.386 1349 A HA 0.028 4.348 4.320 -0.000 0.000 0.246 1349 A C 1.260 178.738 177.584 -0.176 0.000 1.089 1349 A CA 0.254 52.153 52.037 -0.230 0.000 0.790 1349 A CB 0.743 19.675 19.000 -0.114 0.000 1.042 1349 A HN 0.927 nan 8.150 nan 0.000 0.497 1350 S N 0.430 115.943 115.700 -0.312 0.000 2.462 1350 S HA -0.180 4.290 4.470 -0.000 0.000 0.243 1350 S C 1.265 175.824 174.600 -0.069 0.000 1.003 1350 S CA 1.703 59.815 58.200 -0.147 0.000 0.970 1350 S CB -0.750 62.360 63.200 -0.150 0.000 0.762 1350 S HN 0.913 nan 8.310 nan 0.000 0.510 1351 N N 0.305 118.968 118.700 -0.062 0.000 2.322 1351 N HA 0.235 4.974 4.740 -0.000 0.000 0.216 1351 N C 1.141 176.642 175.510 -0.016 0.000 1.144 1351 N CA 0.722 53.753 53.050 -0.030 0.000 0.830 1351 N CB -0.719 37.753 38.487 -0.025 0.000 1.034 1351 N HN 0.385 nan 8.380 nan 0.000 0.484 1352 G N -0.430 108.370 108.800 0.000 0.000 2.228 1352 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.270 1352 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.270 1352 G C 0.047 174.944 174.900 -0.006 0.000 0.976 1352 G CA 0.749 45.858 45.100 0.014 0.000 0.636 1352 G HN 0.453 nan 8.290 nan 0.000 0.542 1353 K N -0.228 120.177 120.400 0.008 0.000 2.090 1353 K HA 0.643 4.963 4.320 -0.000 0.000 0.249 1353 K C -0.169 176.560 176.600 0.215 0.000 0.995 1353 K CA -0.804 55.469 56.287 -0.022 0.000 0.914 1353 K CB 0.581 33.078 32.500 -0.006 0.000 1.057 1353 K HN -0.001 nan 8.250 nan 0.000 0.462 1354 F N 0.696 120.689 119.950 0.072 0.000 2.408 1354 F HA 0.183 4.710 4.527 -0.000 0.000 0.344 1354 F C 0.628 176.515 175.800 0.145 0.000 1.112 1354 F CA -1.643 56.426 58.000 0.114 0.000 1.096 1354 F CB 0.584 39.640 39.000 0.094 0.000 1.129 1354 F HN 0.004 nan 8.300 nan 0.000 0.486 1355 V N 2.559 122.722 119.914 0.415 0.000 2.763 1355 V HA 0.298 4.418 4.120 -0.000 0.000 0.306 1355 V C 0.432 176.733 176.094 0.344 0.000 1.059 1355 V CA 0.368 62.878 62.300 0.350 0.000 1.138 1355 V CB 0.970 33.004 31.823 0.352 0.000 0.940 1355 V HN 0.887 nan 8.190 nan 0.000 0.489 1356 T N 2.593 117.292 114.554 0.242 0.000 2.853 1356 T HA 0.494 4.844 4.350 -0.000 0.000 0.311 1356 T C -0.614 174.151 174.700 0.110 0.000 1.307 1356 T CA -0.188 61.992 62.100 0.134 0.000 1.019 1356 T CB 1.782 70.698 68.868 0.080 0.000 1.264 1356 T HN 0.919 nan 8.240 nan 0.000 0.497 1357 S N 3.054 118.776 115.700 0.038 0.000 2.457 1357 S HA 0.561 5.031 4.470 -0.000 0.000 0.289 1357 S C -0.158 174.447 174.600 0.007 0.000 1.163 1357 S CA -0.917 57.305 58.200 0.036 0.000 1.078 1357 S CB 0.552 63.764 63.200 0.019 0.000 0.987 1357 S HN 0.758 nan 8.310 nan 0.000 0.482 1358 K N 2.259 122.665 120.400 0.010 0.000 2.295 1358 K HA 0.096 4.416 4.320 -0.000 0.000 0.270 1358 K C 1.371 177.969 176.600 -0.002 0.000 1.011 1358 K CA -0.496 55.792 56.287 0.003 0.000 0.953 1358 K CB 0.699 33.200 32.500 0.001 0.000 0.956 1358 K HN 0.784 nan 8.250 nan 0.000 0.477 1359 K N 1.787 122.185 120.400 -0.004 0.000 2.066 1359 K HA -0.393 3.927 4.320 -0.000 0.000 0.221 1359 K C 1.382 177.980 176.600 -0.003 0.000 1.056 1359 K CA 2.652 58.936 56.287 -0.005 0.000 0.950 1359 K CB -0.872 31.625 32.500 -0.004 0.000 0.726 1359 K HN 0.689 nan 8.250 nan 0.000 0.456 1360 N N 0.556 119.254 118.700 -0.003 0.000 2.027 1360 N HA -0.190 4.550 4.740 -0.000 0.000 0.200 1360 N C 1.687 177.196 175.510 -0.001 0.000 1.042 1360 N CA 2.231 55.279 53.050 -0.002 0.000 0.871 1360 N CB -0.547 37.937 38.487 -0.004 0.000 1.063 1360 N HN 0.551 nan 8.380 nan 0.000 0.438 1361 G N -1.475 107.324 108.800 -0.001 0.000 3.768 1361 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.214 1361 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.214 1361 G C -0.242 174.655 174.900 -0.003 0.000 1.058 1361 G CA 0.079 45.180 45.100 0.002 0.000 0.890 1361 G HN 0.602 nan 8.290 nan 0.000 0.393 1362 Q N 0.789 120.580 119.800 -0.015 0.000 2.593 1362 Q HA 0.326 4.666 4.340 -0.000 0.000 0.285 1362 Q C -0.247 175.735 176.000 -0.030 0.000 1.185 1362 Q CA 0.884 56.666 55.803 -0.034 0.000 1.012 1362 Q CB 0.326 29.045 28.738 -0.031 0.000 1.322 1362 Q HN 1.001 nan 8.270 nan 0.000 0.500 1363 L N -1.103 120.086 121.223 -0.056 0.000 2.445 1363 L HA 0.967 5.307 4.340 -0.000 0.000 0.262 1363 L C -1.474 175.382 176.870 -0.024 0.000 0.974 1363 L CA -0.529 54.296 54.840 -0.024 0.000 0.822 1363 L CB 2.025 44.078 42.059 -0.011 0.000 1.339 1363 L HN 0.664 nan 8.230 nan 0.000 0.409 1364 A N 1.564 124.400 122.820 0.028 0.000 2.569 1364 A HA 0.916 5.236 4.320 -0.000 0.000 0.290 1364 A C -0.245 177.394 177.584 0.092 0.000 1.136 1364 A CA -0.420 51.642 52.037 0.042 0.000 0.710 1364 A CB 1.583 20.596 19.000 0.021 0.000 1.303 1364 A HN 1.555 nan 8.150 nan 0.000 0.413 1365 A N 0.829 123.705 122.820 0.094 0.000 3.117 1365 A HA 0.466 4.786 4.320 -0.000 0.000 0.255 1365 A C 1.233 178.859 177.584 0.071 0.000 1.583 1365 A CA 0.608 52.715 52.037 0.116 0.000 1.234 1365 A CB -1.369 17.687 19.000 0.093 0.000 1.076 1365 A HN 1.536 nan 8.150 nan 0.000 0.653 1366 S N -0.453 115.285 115.700 0.064 0.000 2.310 1366 S HA 0.060 4.530 4.470 -0.000 0.000 0.205 1366 S C 0.837 175.446 174.600 0.016 0.000 1.020 1366 S CA 0.544 58.763 58.200 0.030 0.000 0.939 1366 S CB -1.063 62.151 63.200 0.024 0.000 0.919 1366 S HN 0.347 nan 8.310 nan 0.000 0.501 1367 V N 3.094 123.028 119.914 0.033 0.000 2.931 1367 V HA -0.101 4.019 4.120 -0.000 0.000 0.290 1367 V C 1.601 177.641 176.094 -0.090 0.000 1.315 1367 V CA 1.292 63.596 62.300 0.006 0.000 1.393 1367 V CB 0.102 31.964 31.823 0.065 0.000 0.887 1367 V HN 0.649 nan 8.190 nan 0.000 0.520 1368 E N 1.454 121.570 120.200 -0.140 0.000 2.175 1368 E HA 0.021 4.370 4.350 -0.000 0.000 0.195 1368 E C 0.862 177.220 176.600 -0.403 0.000 0.934 1368 E CA 0.742 56.990 56.400 -0.252 0.000 0.870 1368 E CB 0.490 30.101 29.700 -0.149 0.000 0.838 1368 E HN 0.888 nan 8.360 nan 0.000 0.474 1369 T N -0.728 113.690 114.554 -0.226 0.000 2.758 1369 T HA 0.626 4.976 4.350 -0.000 0.000 0.285 1369 T C -0.070 174.653 174.700 0.038 0.000 0.981 1369 T CA -0.493 61.520 62.100 -0.144 0.000 0.965 1369 T CB 1.493 70.332 68.868 -0.048 0.000 0.927 1369 T HN 0.205 nan 8.240 nan 0.000 0.448 1370 A N 3.675 126.677 122.820 0.303 0.000 2.581 1370 A HA 0.450 4.770 4.320 -0.000 0.000 0.257 1370 A C 1.156 178.876 177.584 0.226 0.000 1.022 1370 A CA 0.456 52.825 52.037 0.552 0.000 0.812 1370 A CB -0.776 18.527 19.000 0.504 0.000 0.918 1370 A HN 1.266 nan 8.150 nan 0.000 0.516 1371 G N 0.607 109.509 108.800 0.170 0.000 3.329 1371 G HA2 0.435 4.394 3.960 -0.000 0.000 0.180 1371 G HA3 0.435 4.394 3.960 -0.000 0.000 0.180 1371 G C -0.023 174.898 174.900 0.035 0.000 1.640 1371 G CA 0.594 45.738 45.100 0.074 0.000 1.018 1371 G HN 0.543 nan 8.290 nan 0.000 0.581 1372 D N -1.755 118.645 120.400 0.000 0.000 2.538 1372 D HA 0.169 4.809 4.640 -0.000 0.000 0.241 1372 D C 1.495 177.756 176.300 -0.065 0.000 1.297 1372 D CA 0.444 54.428 54.000 -0.027 0.000 0.804 1372 D CB 0.728 41.515 40.800 -0.021 0.000 1.122 1372 D HN 0.265 nan 8.370 nan 0.000 0.519 1373 S N -1.079 114.579 115.700 -0.070 0.000 2.666 1373 S HA 0.162 4.632 4.470 -0.000 0.000 0.239 1373 S C 1.091 175.579 174.600 -0.188 0.000 1.031 1373 S CA -0.299 57.826 58.200 -0.125 0.000 1.015 1373 S CB 0.406 63.560 63.200 -0.076 0.000 0.981 1373 S HN -0.141 nan 8.310 nan 0.000 0.547 1374 E N 0.819 120.954 120.200 -0.108 0.000 2.474 1374 E HA 0.392 4.741 4.350 -0.000 0.000 0.195 1374 E C -0.694 175.823 176.600 -0.138 0.000 1.039 1374 E CA -0.057 56.305 56.400 -0.064 0.000 0.881 1374 E CB 0.155 29.930 29.700 0.126 0.000 0.970 1374 E HN 0.307 nan 8.360 nan 0.000 0.486 1375 L N 1.232 122.336 121.223 -0.200 0.000 2.283 1375 L HA 0.313 4.653 4.340 -0.000 0.000 0.287 1375 L C -0.632 176.099 176.870 -0.233 0.000 1.073 1375 L CA 0.044 54.802 54.840 -0.138 0.000 0.822 1375 L CB -0.273 41.736 42.059 -0.084 0.000 1.186 1375 L HN -0.053 nan 8.230 nan 0.000 0.436 1376 F N 3.706 123.645 119.950 -0.019 0.000 2.432 1376 F HA 0.520 5.047 4.527 0.000 0.000 0.329 1376 F C 0.091 175.914 175.800 0.040 0.000 1.076 1376 F CA -0.698 57.300 58.000 -0.002 0.000 1.018 1376 F CB 1.646 40.625 39.000 -0.035 0.000 1.201 1376 F HN 0.216 nan 8.300 nan 0.000 0.489 1377 L N 4.689 126.080 121.223 0.280 0.000 2.280 1377 L HA 0.531 4.871 4.340 -0.000 0.000 0.287 1377 L C -0.975 176.052 176.870 0.261 0.000 1.023 1377 L CA -0.365 54.626 54.840 0.252 0.000 0.819 1377 L CB 0.806 42.996 42.059 0.218 0.000 1.212 1377 L HN 0.706 nan 8.230 nan 0.000 0.420 1378 M N 6.308 126.077 119.600 0.281 0.000 2.044 1378 M HA 0.347 4.827 4.480 -0.000 0.000 0.333 1378 M C -1.058 175.333 176.300 0.152 0.000 1.004 1378 M CA -0.641 54.781 55.300 0.204 0.000 0.954 1378 M CB 0.734 33.474 32.600 0.234 0.000 1.468 1378 M HN 0.623 nan 8.290 nan 0.000 0.414 1379 K N 5.449 125.766 120.400 -0.137 0.000 2.211 1379 K HA 0.398 4.718 4.320 -0.000 0.000 0.275 1379 K C -1.280 175.179 176.600 -0.235 0.000 1.024 1379 K CA -0.558 55.360 56.287 -0.616 0.000 0.887 1379 K CB 1.119 32.985 32.500 -1.057 0.000 1.084 1379 K HN 0.829 nan 8.250 nan 0.000 0.463 1380 L N 7.365 128.583 121.223 -0.009 0.000 2.360 1380 L HA 0.156 4.496 4.340 -0.000 0.000 0.276 1380 L C 0.930 177.796 176.870 -0.007 0.000 1.121 1380 L CA 0.004 54.877 54.840 0.055 0.000 0.845 1380 L CB 0.599 42.791 42.059 0.221 0.000 1.143 1380 L HN 0.858 nan 8.230 nan 0.000 0.452 1381 I N 0.935 121.471 120.570 -0.057 0.000 4.124 1381 I HA 0.111 4.281 4.170 -0.000 0.000 0.311 1381 I C 0.853 176.943 176.117 -0.046 0.000 1.259 1381 I CA -0.155 61.109 61.300 -0.060 0.000 1.315 1381 I CB 0.107 38.050 38.000 -0.094 0.000 1.223 1381 I HN 0.554 nan 8.210 nan 0.000 0.441 1382 N N 2.713 121.370 118.700 -0.072 0.000 3.259 1382 N HA 0.122 4.862 4.740 -0.000 0.000 0.308 1382 N C -0.011 175.484 175.510 -0.025 0.000 1.334 1382 N CA -0.105 52.901 53.050 -0.072 0.000 1.202 1382 N CB 0.348 38.753 38.487 -0.137 0.000 1.485 1382 N HN 0.334 nan 8.380 nan 0.000 0.549 1383 R N 0.253 120.757 120.500 0.007 0.000 2.433 1383 R HA 0.204 4.544 4.340 -0.000 0.000 0.274 1383 R C -2.212 174.111 176.300 0.037 0.000 1.189 1383 R CA -0.687 55.429 56.100 0.026 0.000 1.307 1383 R CB 0.247 30.596 30.300 0.082 0.000 1.385 1383 R HN 0.153 nan 8.270 nan 0.000 0.752 1384 P HA -0.002 nan 4.420 nan 0.000 0.239 1384 P C -0.319 177.001 177.300 0.034 0.000 1.184 1384 P CA 0.693 63.822 63.100 0.048 0.000 0.760 1384 P CB 0.479 32.203 31.700 0.039 0.000 0.884 1385 I N 0.430 120.990 120.570 -0.017 0.000 2.586 1385 I HA 0.302 4.472 4.170 -0.000 0.000 0.288 1385 I C 0.057 176.136 176.117 -0.063 0.000 1.147 1385 I CA -1.693 59.578 61.300 -0.050 0.000 1.047 1385 I CB 1.852 39.751 38.000 -0.169 0.000 1.244 1385 I HN -0.249 nan 8.210 nan 0.000 0.429 1386 I N 6.178 126.704 120.570 -0.074 0.000 3.023 1386 I HA 0.796 4.966 4.170 -0.000 0.000 0.312 1386 I C -0.303 175.676 176.117 -0.231 0.000 1.056 1386 I CA -1.096 60.066 61.300 -0.230 0.000 1.033 1386 I CB 2.025 39.713 38.000 -0.519 0.000 1.233 1386 I HN 0.110 nan 8.210 nan 0.000 0.462 1387 V N 2.217 121.930 119.914 -0.334 0.000 2.817 1387 V HA 0.395 4.515 4.120 -0.000 0.000 0.303 1387 V C -1.519 174.478 176.094 -0.162 0.000 1.151 1387 V CA -0.454 61.736 62.300 -0.183 0.000 0.929 1387 V CB 1.981 33.565 31.823 -0.397 0.000 1.030 1387 V HN 0.423 nan 8.190 nan 0.000 0.427 1388 F N 4.044 124.224 119.950 0.383 0.000 2.332 1388 F HA 0.588 5.115 4.527 -0.000 0.000 0.368 1388 F C 0.472 176.563 175.800 0.485 0.000 1.110 1388 F CA -0.468 57.772 58.000 0.400 0.000 1.087 1388 F CB 1.126 40.271 39.000 0.241 0.000 1.235 1388 F HN 0.236 nan 8.300 nan 0.000 0.470 1389 R N 1.986 122.804 120.500 0.529 0.000 2.368 1389 R HA 0.711 5.051 4.340 -0.000 0.000 0.302 1389 R C -0.092 176.300 176.300 0.153 0.000 1.002 1389 R CA -0.207 55.969 56.100 0.126 0.000 0.929 1389 R CB 1.348 31.657 30.300 0.015 0.000 1.073 1389 R HN 0.845 nan 8.270 nan 0.000 0.464 1390 G N 0.953 109.762 108.800 0.014 0.000 2.816 1390 G HA2 0.117 4.077 3.960 -0.000 0.000 0.288 1390 G HA3 0.117 4.077 3.960 -0.000 0.000 0.288 1390 G C 0.227 174.966 174.900 -0.269 0.000 1.334 1390 G CA -0.414 44.614 45.100 -0.121 0.000 0.978 1390 G HN 0.715 nan 8.290 nan 0.000 0.493 1391 E N -1.125 118.833 120.200 -0.404 0.000 2.171 1391 E HA -0.198 4.152 4.350 -0.000 0.000 0.197 1391 E C 0.836 177.087 176.600 -0.581 0.000 0.997 1391 E CA 1.224 57.328 56.400 -0.493 0.000 0.810 1391 E CB 0.025 29.360 29.700 -0.608 0.000 0.738 1391 E HN 0.516 nan 8.360 nan 0.000 0.467 1392 H N -1.669 117.333 119.070 -0.113 0.000 2.784 1392 H HA 0.368 4.923 4.556 -0.000 0.000 0.273 1392 H C 0.565 175.850 175.328 -0.071 0.000 1.112 1392 H CA 0.657 56.660 56.048 -0.075 0.000 1.162 1392 H CB 1.362 31.104 29.762 -0.033 0.000 1.586 1392 H HN 0.226 nan 8.280 nan 0.000 0.548 1393 G N 0.179 108.941 108.800 -0.063 0.000 2.361 1393 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.331 1393 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.331 1393 G C -0.981 173.842 174.900 -0.129 0.000 1.324 1393 G CA -1.070 43.961 45.100 -0.115 0.000 0.984 1393 G HN 0.003 nan 8.290 nan 0.000 0.586 1394 F N -0.380 119.730 119.950 0.265 0.000 2.331 1394 F HA 0.637 5.164 4.527 -0.000 0.000 0.293 1394 F C 1.521 177.529 175.800 0.346 0.000 1.277 1394 F CA -0.168 58.034 58.000 0.337 0.000 1.204 1394 F CB 0.405 39.633 39.000 0.380 0.000 1.374 1394 F HN 0.285 nan 8.300 nan 0.000 0.520 1395 I N -0.034 120.888 120.570 0.587 0.000 2.412 1395 I HA 0.598 4.768 4.170 -0.000 0.000 0.296 1395 I C 0.141 176.558 176.117 0.501 0.000 0.987 1395 I CA -0.228 61.325 61.300 0.421 0.000 1.180 1395 I CB 1.353 39.559 38.000 0.344 0.000 1.340 1395 I HN 0.630 nan 8.210 nan 0.000 0.455 1396 G N 4.461 113.477 108.800 0.359 0.000 2.718 1396 G HA2 0.394 4.354 3.960 -0.000 0.000 0.295 1396 G HA3 0.394 4.354 3.960 -0.000 0.000 0.295 1396 G C -1.690 173.358 174.900 0.247 0.000 1.421 1396 G CA -0.322 44.979 45.100 0.335 0.000 0.902 1396 G HN 0.596 nan 8.290 nan 0.000 0.501 1397 C N 0.500 119.947 119.300 0.244 0.000 2.605 1397 C HA 0.609 5.069 4.460 -0.000 0.000 0.404 1397 C C 1.293 176.336 174.990 0.089 0.000 1.284 1397 C CA -0.230 58.889 59.018 0.168 0.000 2.199 1397 C CB 0.196 28.039 27.740 0.172 0.000 2.647 1397 C HN 0.797 nan 8.230 nan 0.000 0.604 1398 R N 1.302 121.835 120.500 0.055 0.000 2.748 1398 R HA 0.269 4.609 4.340 -0.000 0.000 0.220 1398 R C 1.285 177.602 176.300 0.028 0.000 1.404 1398 R CA -0.803 55.317 56.100 0.033 0.000 1.039 1398 R CB 0.270 30.580 30.300 0.016 0.000 1.904 1398 R HN 0.584 nan 8.270 nan 0.000 0.529 1399 K N 0.217 120.627 120.400 0.016 0.000 2.471 1399 K HA -0.238 4.082 4.320 -0.000 0.000 0.228 1399 K C 1.494 178.105 176.600 0.018 0.000 0.710 1399 K CA 2.693 58.987 56.287 0.012 0.000 0.900 1399 K CB -0.863 31.641 32.500 0.007 0.000 0.385 1399 K HN 0.508 nan 8.250 nan 0.000 0.972 1400 V N -4.839 115.086 119.914 0.018 0.000 3.400 1400 V HA 0.111 4.231 4.120 -0.000 0.000 0.281 1400 V C 1.726 177.834 176.094 0.024 0.000 1.617 1400 V CA 0.938 63.252 62.300 0.022 0.000 1.044 1400 V CB 0.346 32.178 31.823 0.016 0.000 0.858 1400 V HN 0.499 nan 8.190 nan 0.000 0.425 1401 T N 0.805 115.369 114.554 0.017 0.000 2.849 1401 T HA 0.056 4.406 4.350 -0.000 0.000 0.270 1401 T C 1.834 176.544 174.700 0.017 0.000 1.066 1401 T CA 3.097 65.205 62.100 0.013 0.000 1.130 1401 T CB -0.671 68.201 68.868 0.005 0.000 0.864 1401 T HN 1.913 nan 8.240 nan 0.000 0.481 1402 G N -0.162 108.654 108.800 0.025 0.000 2.284 1402 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.230 1402 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.230 1402 G C 0.464 175.362 174.900 -0.004 0.000 1.021 1402 G CA 0.388 45.507 45.100 0.031 0.000 0.619 1402 G HN 0.764 nan 8.290 nan 0.000 0.510 1403 T N 1.722 116.264 114.554 -0.020 0.000 2.902 1403 T HA 0.303 4.652 4.350 -0.000 0.000 0.317 1403 T C -0.084 174.578 174.700 -0.064 0.000 1.064 1403 T CA 0.559 62.627 62.100 -0.052 0.000 1.130 1403 T CB 1.176 70.022 68.868 -0.035 0.000 1.073 1403 T HN 0.419 nan 8.240 nan 0.000 0.524 1404 L N 3.526 124.669 121.223 -0.133 0.000 2.325 1404 L HA 0.414 4.754 4.340 -0.000 0.000 0.281 1404 L C -0.262 176.546 176.870 -0.104 0.000 1.004 1404 L CA -0.224 54.516 54.840 -0.166 0.000 0.823 1404 L CB 1.730 43.522 42.059 -0.444 0.000 1.236 1404 L HN 0.625 nan 8.230 nan 0.000 0.415 1405 D N 2.988 123.381 120.400 -0.012 0.000 2.256 1405 D HA 0.432 5.072 4.640 -0.000 0.000 0.246 1405 D C -0.061 176.288 176.300 0.083 0.000 1.042 1405 D CA -0.277 53.738 54.000 0.026 0.000 0.841 1405 D CB 2.452 43.282 40.800 0.051 0.000 1.223 1405 D HN 0.583 nan 8.370 nan 0.000 0.470 1406 A N 2.456 125.339 122.820 0.106 0.000 2.337 1406 A HA 0.005 4.325 4.320 -0.000 0.000 0.227 1406 A C 0.580 178.319 177.584 0.259 0.000 1.259 1406 A CA -0.073 52.101 52.037 0.228 0.000 0.870 1406 A CB -0.453 18.736 19.000 0.314 0.000 0.927 1406 A HN 0.518 nan 8.150 nan 0.000 0.497 1407 N N -1.103 117.712 118.700 0.192 0.000 2.545 1407 N HA 0.092 4.832 4.740 -0.000 0.000 0.283 1407 N C -0.415 175.197 175.510 0.169 0.000 1.596 1407 N CA -0.431 52.722 53.050 0.171 0.000 0.862 1407 N CB -0.176 38.385 38.487 0.123 0.000 1.422 1407 N HN 0.164 nan 8.380 nan 0.000 0.489 1408 R N 0.238 120.874 120.500 0.228 0.000 2.694 1408 R HA 0.164 4.503 4.340 -0.000 0.000 0.268 1408 R C 0.880 177.375 176.300 0.325 0.000 1.061 1408 R CA 0.512 56.756 56.100 0.241 0.000 1.133 1408 R CB 0.649 31.107 30.300 0.264 0.000 1.020 1408 R HN 0.444 nan 8.270 nan 0.000 0.475 1409 S N -0.532 115.342 115.700 0.290 0.000 2.528 1409 S HA 0.042 4.512 4.470 -0.000 0.000 0.219 1409 S C 0.292 175.218 174.600 0.544 0.000 0.985 1409 S CA -0.146 58.277 58.200 0.372 0.000 0.914 1409 S CB 0.455 63.835 63.200 0.299 0.000 0.776 1409 S HN 0.411 nan 8.310 nan 0.000 0.526 1410 S N 1.277 117.198 115.700 0.367 0.000 2.548 1410 S HA 0.577 5.047 4.470 -0.000 0.000 0.276 1410 S C -0.925 173.738 174.600 0.106 0.000 1.129 1410 S CA -1.024 57.282 58.200 0.175 0.000 0.931 1410 S CB 1.054 64.184 63.200 -0.116 0.000 1.068 1410 S HN 0.496 nan 8.310 nan 0.000 0.480 1411 Y N 0.063 120.363 120.300 0.000 0.000 2.316 1411 Y HA 0.766 5.316 4.550 -0.000 0.000 0.324 1411 Y C -0.272 175.615 175.900 -0.022 0.000 1.267 1411 Y CA -0.803 57.282 58.100 -0.026 0.000 1.311 1411 Y CB 0.343 38.524 38.460 -0.465 0.000 1.267 1411 Y HN 0.357 nan 8.280 nan 0.000 0.516 1412 D N 0.709 121.220 120.400 0.186 0.000 2.272 1412 D HA 0.482 5.122 4.640 -0.000 0.000 0.247 1412 D C -1.222 174.943 176.300 -0.225 0.000 0.990 1412 D CA -0.535 53.393 54.000 -0.120 0.000 0.931 1412 D CB 2.401 42.983 40.800 -0.363 0.000 1.195 1412 D HN 0.474 nan 8.370 nan 0.000 0.477 1413 V N 2.906 122.636 119.914 -0.306 0.000 2.326 1413 V HA 0.325 4.445 4.120 -0.000 0.000 0.281 1413 V C -0.470 175.437 176.094 -0.311 0.000 1.015 1413 V CA -0.575 61.597 62.300 -0.213 0.000 0.823 1413 V CB 0.086 31.884 31.823 -0.041 0.000 1.009 1413 V HN 0.321 nan 8.190 nan 0.000 0.436 1414 F N 2.907 122.893 119.950 0.059 0.000 2.380 1414 F HA 0.599 5.126 4.527 -0.000 0.000 0.321 1414 F C 0.752 176.552 175.800 -0.001 0.000 1.103 1414 F CA -0.654 57.369 58.000 0.039 0.000 1.067 1414 F CB 0.974 39.983 39.000 0.015 0.000 1.265 1414 F HN 0.430 nan 8.300 nan 0.000 0.517 1415 Q N 2.064 121.991 119.800 0.211 0.000 2.345 1415 Q HA 0.744 5.084 4.340 -0.000 0.000 0.268 1415 Q C -1.683 174.384 176.000 0.111 0.000 1.054 1415 Q CA -1.297 54.591 55.803 0.141 0.000 0.835 1415 Q CB 2.406 31.235 28.738 0.150 0.000 1.339 1415 Q HN 0.415 nan 8.270 nan 0.000 0.447 1416 L N -1.702 119.594 121.223 0.122 0.000 2.381 1416 L HA 0.642 4.982 4.340 -0.000 0.000 0.268 1416 L C -0.638 176.349 176.870 0.195 0.000 0.997 1416 L CA -1.209 53.718 54.840 0.145 0.000 0.818 1416 L CB 1.117 43.278 42.059 0.170 0.000 1.310 1416 L HN 0.668 nan 8.230 nan 0.000 0.416 1417 E N 1.498 121.818 120.200 0.200 0.000 2.207 1417 E HA 0.532 4.882 4.350 -0.000 0.000 0.270 1417 E C -1.596 175.111 176.600 0.178 0.000 0.927 1417 E CA -0.561 55.951 56.400 0.187 0.000 0.799 1417 E CB 2.457 32.256 29.700 0.165 0.000 1.172 1417 E HN 0.497 nan 8.360 nan 0.000 0.404 1418 F N 2.905 122.831 119.950 -0.039 0.000 2.411 1418 F HA 0.353 4.880 4.527 -0.000 0.000 0.350 1418 F C -0.435 175.257 175.800 -0.180 0.000 1.114 1418 F CA -0.761 57.110 58.000 -0.215 0.000 1.135 1418 F CB 0.684 39.582 39.000 -0.171 0.000 1.120 1418 F HN 0.267 nan 8.300 nan 0.000 0.495 1419 N N 4.892 123.142 118.700 -0.749 0.000 2.664 1419 N HA 0.154 4.893 4.740 -0.000 0.000 0.257 1419 N C -0.975 174.088 175.510 -0.745 0.000 1.108 1419 N CA -0.363 52.333 53.050 -0.590 0.000 0.822 1419 N CB 0.244 38.529 38.487 -0.337 0.000 1.199 1419 N HN 0.666 nan 8.380 nan 0.000 0.529 1420 D N 3.271 123.182 120.400 -0.815 0.000 2.720 1420 D HA -0.189 4.451 4.640 -0.000 0.000 0.229 1420 D C 0.985 176.992 176.300 -0.489 0.000 1.198 1420 D CA 2.294 55.962 54.000 -0.554 0.000 0.639 1420 D CB -1.054 39.597 40.800 -0.249 0.000 1.003 1420 D HN 0.953 nan 8.370 nan 0.000 0.411 1421 G N -1.680 106.601 108.800 -0.864 0.000 2.213 1421 G HA2 0.063 4.023 3.960 -0.000 0.000 0.226 1421 G HA3 0.063 4.023 3.960 -0.000 0.000 0.226 1421 G C 0.409 175.240 174.900 -0.115 0.000 0.992 1421 G CA 0.460 45.446 45.100 -0.189 0.000 0.632 1421 G HN 1.386 nan 8.290 nan 0.000 0.511 1422 A N -0.707 121.861 122.820 -0.421 0.000 2.350 1422 A HA 0.908 5.228 4.320 -0.000 0.000 0.318 1422 A C -0.879 176.327 177.584 -0.629 0.000 1.132 1422 A CA -0.736 51.109 52.037 -0.321 0.000 0.811 1422 A CB 1.162 19.993 19.000 -0.282 0.000 1.313 1422 A HN 0.689 nan 8.150 nan 0.000 0.454 1423 Y N -0.051 120.043 120.300 -0.344 0.000 2.509 1423 Y HA 0.463 5.013 4.550 -0.000 0.000 0.341 1423 Y C 0.149 175.920 175.900 -0.215 0.000 1.038 1423 Y CA -0.505 57.413 58.100 -0.304 0.000 1.089 1423 Y CB 2.117 40.193 38.460 -0.639 0.000 1.241 1423 Y HN 0.744 nan 8.280 nan 0.000 0.468 1424 N N 2.011 120.728 118.700 0.028 0.000 2.399 1424 N HA 0.527 5.267 4.740 -0.000 0.000 0.280 1424 N C -1.679 173.873 175.510 0.070 0.000 1.008 1424 N CA -0.526 52.550 53.050 0.043 0.000 0.894 1424 N CB 1.563 40.039 38.487 -0.018 0.000 1.273 1424 N HN 0.388 nan 8.380 nan 0.000 0.486 1425 I N 2.146 122.652 120.570 -0.105 0.000 2.315 1425 I HA 0.222 4.392 4.170 -0.000 0.000 0.291 1425 I C 0.206 176.259 176.117 -0.108 0.000 1.006 1425 I CA -0.168 60.909 61.300 -0.372 0.000 1.265 1425 I CB 0.845 38.002 38.000 -1.405 0.000 1.387 1425 I HN 0.343 nan 8.210 nan 0.000 0.475 1426 K N 4.829 125.221 120.400 -0.013 0.000 2.208 1426 K HA 0.413 4.733 4.320 -0.000 0.000 0.247 1426 K C -0.934 175.746 176.600 0.134 0.000 0.953 1426 K CA -0.781 55.458 56.287 -0.079 0.000 0.837 1426 K CB 1.186 33.554 32.500 -0.220 0.000 1.131 1426 K HN 0.654 nan 8.250 nan 0.000 0.431 1427 D N 0.151 120.649 120.400 0.164 0.000 2.442 1427 D HA 0.125 4.765 4.640 -0.000 0.000 0.254 1427 D C 0.418 176.772 176.300 0.090 0.000 1.069 1427 D CA -0.556 53.610 54.000 0.276 0.000 1.017 1427 D CB 1.109 42.142 40.800 0.388 0.000 1.172 1427 D HN 0.420 nan 8.370 nan 0.000 0.561 1428 S N -0.641 115.090 115.700 0.052 0.000 2.383 1428 S HA -0.211 4.259 4.470 -0.000 0.000 0.229 1428 S C 1.820 176.424 174.600 0.007 0.000 1.030 1428 S CA 1.673 59.883 58.200 0.018 0.000 1.002 1428 S CB -1.228 61.977 63.200 0.008 0.000 0.829 1428 S HN 0.818 nan 8.310 nan 0.000 0.467 1429 T N -0.914 113.653 114.554 0.021 0.000 3.215 1429 T HA 0.372 4.722 4.350 -0.000 0.000 0.254 1429 T C 1.302 175.997 174.700 -0.009 0.000 1.149 1429 T CA 0.608 62.714 62.100 0.010 0.000 1.042 1429 T CB -0.803 68.080 68.868 0.025 0.000 0.966 1429 T HN 1.020 nan 8.240 nan 0.000 0.534 1430 G N 1.057 109.836 108.800 -0.034 0.000 2.182 1430 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.248 1430 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.248 1430 G C -0.048 174.768 174.900 -0.140 0.000 1.042 1430 G CA -0.003 45.040 45.100 -0.095 0.000 0.775 1430 G HN 0.593 nan 8.290 nan 0.000 0.501 1431 K N -1.297 119.047 120.400 -0.093 0.000 2.288 1431 K HA 0.798 5.118 4.320 -0.000 0.000 0.234 1431 K C -0.583 175.953 176.600 -0.106 0.000 1.037 1431 K CA -0.768 55.495 56.287 -0.040 0.000 0.914 1431 K CB 0.931 33.488 32.500 0.095 0.000 1.197 1431 K HN 0.109 nan 8.250 nan 0.000 0.471 1432 Y N -0.882 119.527 120.300 0.182 0.000 2.536 1432 Y HA 0.263 4.813 4.550 -0.000 0.000 0.347 1432 Y C -0.345 175.755 175.900 0.334 0.000 1.000 1432 Y CA -0.832 57.389 58.100 0.203 0.000 1.051 1432 Y CB 1.051 39.596 38.460 0.143 0.000 1.259 1432 Y HN 0.395 nan 8.280 nan 0.000 0.468 1433 W N 1.825 123.271 121.300 0.243 0.000 2.170 1433 W HA 0.466 5.126 4.660 -0.000 0.000 0.336 1433 W C -0.298 176.372 176.519 0.251 0.000 1.283 1433 W CA -0.594 56.828 57.345 0.130 0.000 1.224 1433 W CB 0.514 29.900 29.460 -0.123 0.000 1.132 1433 W HN 0.343 nan 8.180 nan 0.000 0.571 1434 T N 0.146 114.912 114.554 0.355 0.000 2.868 1434 T HA 0.565 4.915 4.350 -0.000 0.000 0.306 1434 T C -1.020 173.761 174.700 0.134 0.000 1.224 1434 T CA -0.919 61.313 62.100 0.219 0.000 1.012 1434 T CB 1.543 70.489 68.868 0.130 0.000 1.221 1434 T HN 0.061 nan 8.240 nan 0.000 0.499 1435 V N 1.386 121.336 119.914 0.059 0.000 2.435 1435 V HA 0.739 4.859 4.120 -0.000 0.000 0.290 1435 V C 1.016 177.111 176.094 0.002 0.000 1.030 1435 V CA -0.427 61.884 62.300 0.018 0.000 0.881 1435 V CB 1.150 32.955 31.823 -0.030 0.000 0.983 1435 V HN 1.150 nan 8.190 nan 0.000 0.445 1436 G N 2.585 111.384 108.800 -0.002 0.000 2.783 1436 G HA2 0.325 4.284 3.960 -0.000 0.000 0.182 1436 G HA3 0.325 4.284 3.960 -0.000 0.000 0.182 1436 G C 1.063 175.960 174.900 -0.006 0.000 1.516 1436 G CA 0.516 45.614 45.100 -0.004 0.000 1.079 1436 G HN 0.829 nan 8.290 nan 0.000 0.573 1437 S N -0.618 115.079 115.700 -0.004 0.000 2.545 1437 S HA 0.006 4.476 4.470 -0.000 0.000 0.232 1437 S C 1.317 175.917 174.600 -0.001 0.000 1.070 1437 S CA 1.064 59.262 58.200 -0.003 0.000 0.923 1437 S CB 0.023 63.222 63.200 -0.001 0.000 0.806 1437 S HN 0.464 nan 8.310 nan 0.000 0.506 1438 D N 1.865 122.265 120.400 -0.001 0.000 2.352 1438 D HA 0.158 4.798 4.640 -0.000 0.000 0.232 1438 D C 0.377 176.679 176.300 0.003 0.000 1.055 1438 D CA 0.673 54.674 54.000 0.002 0.000 0.891 1438 D CB -0.536 40.264 40.800 -0.000 0.000 0.897 1438 D HN 0.347 nan 8.370 nan 0.000 0.529 1439 S N -1.827 113.873 115.700 0.000 0.000 3.261 1439 S HA -0.190 4.280 4.470 -0.000 0.000 0.287 1439 S C 0.718 175.316 174.600 -0.004 0.000 1.281 1439 S CA 0.499 58.700 58.200 0.002 0.000 1.053 1439 S CB -2.002 61.206 63.200 0.013 0.000 1.251 1439 S HN 0.847 nan 8.310 nan 0.000 0.659 1440 A N 0.856 123.666 122.820 -0.017 0.000 2.371 1440 A HA 0.602 4.922 4.320 -0.000 0.000 0.257 1440 A C 0.413 177.962 177.584 -0.059 0.000 1.089 1440 A CA -0.149 51.863 52.037 -0.042 0.000 0.794 1440 A CB 0.489 19.462 19.000 -0.045 0.000 1.029 1440 A HN 0.659 nan 8.150 nan 0.000 0.488 1441 V N 2.141 121.980 119.914 -0.125 0.000 2.427 1441 V HA 0.655 4.775 4.120 -0.000 0.000 0.286 1441 V C 0.520 176.456 176.094 -0.263 0.000 1.034 1441 V CA 0.084 62.276 62.300 -0.179 0.000 0.893 1441 V CB 1.106 32.745 31.823 -0.308 0.000 0.982 1441 V HN 1.140 nan 8.190 nan 0.000 0.452 1442 T N 0.114 114.557 114.554 -0.185 0.000 2.896 1442 T HA 0.418 4.768 4.350 -0.000 0.000 0.297 1442 T C -0.083 174.563 174.700 -0.092 0.000 1.108 1442 T CA -0.638 61.370 62.100 -0.153 0.000 1.004 1442 T CB 1.870 70.708 68.868 -0.049 0.000 1.159 1442 T HN 0.407 nan 8.240 nan 0.000 0.499 1443 S N 1.157 116.840 115.700 -0.028 0.000 2.979 1443 S HA 0.410 4.880 4.470 -0.000 0.000 0.210 1443 S C 0.777 175.471 174.600 0.156 0.000 1.364 1443 S CA -0.489 57.803 58.200 0.152 0.000 1.208 1443 S CB -1.235 62.115 63.200 0.250 0.000 1.167 1443 S HN 0.718 nan 8.310 nan 0.000 0.519 1444 S N 1.015 116.795 115.700 0.134 0.000 3.798 1444 S HA 0.650 5.120 4.470 -0.000 0.000 0.185 1444 S C 1.013 175.706 174.600 0.155 0.000 0.882 1444 S CA -0.138 58.131 58.200 0.115 0.000 1.488 1444 S CB -1.410 61.837 63.200 0.078 0.000 0.639 1444 S HN 0.893 nan 8.310 nan 0.000 0.687 1445 G N 2.988 111.870 108.800 0.137 0.000 2.776 1445 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.343 1445 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.343 1445 G C -0.071 174.957 174.900 0.213 0.000 0.103 1445 G CA 0.504 45.697 45.100 0.155 0.000 1.240 1445 G HN 0.740 nan 8.290 nan 0.000 0.553 1446 D N 0.228 120.727 120.400 0.165 0.000 2.355 1446 D HA 0.076 4.716 4.640 -0.000 0.000 0.218 1446 D C 1.404 177.856 176.300 0.252 0.000 1.004 1446 D CA 1.043 55.157 54.000 0.190 0.000 0.880 1446 D CB -0.061 40.806 40.800 0.111 0.000 0.911 1446 D HN 0.709 nan 8.370 nan 0.000 0.528 1447 T N -1.689 112.968 114.554 0.173 0.000 2.856 1447 T HA 0.531 4.881 4.350 -0.000 0.000 0.283 1447 T C -2.897 171.749 174.700 -0.090 0.000 1.008 1447 T CA -2.055 60.073 62.100 0.047 0.000 0.997 1447 T CB 2.488 71.352 68.868 -0.006 0.000 0.992 1447 T HN -0.157 nan 8.240 nan 0.000 0.454 1448 P HA 0.300 nan 4.420 nan 0.000 0.287 1448 P C -0.034 177.074 177.300 -0.321 0.000 1.281 1448 P CA -0.477 62.176 63.100 -0.744 0.000 0.781 1448 P CB 1.249 32.042 31.700 -1.511 0.000 0.903 1449 V N 2.123 121.943 119.914 -0.157 0.000 2.607 1449 V HA 0.353 4.473 4.120 -0.000 0.000 0.289 1449 V C -0.343 175.605 176.094 -0.244 0.000 1.053 1449 V CA -0.445 61.744 62.300 -0.186 0.000 0.996 1449 V CB 0.614 32.334 31.823 -0.171 0.000 0.995 1449 V HN 0.295 nan 8.190 nan 0.000 0.476 1450 D N 5.398 125.593 120.400 -0.341 0.000 2.308 1450 D HA 0.452 5.092 4.640 -0.000 0.000 0.251 1450 D C -0.499 175.351 176.300 -0.751 0.000 1.127 1450 D CA 0.556 54.302 54.000 -0.425 0.000 0.876 1450 D CB 0.863 41.416 40.800 -0.412 0.000 1.176 1450 D HN 0.535 nan 8.370 nan 0.000 0.446 1451 F N 0.839 120.436 119.950 -0.589 0.000 2.541 1451 F HA 0.533 5.060 4.527 -0.000 0.000 0.331 1451 F C 0.010 175.253 175.800 -0.929 0.000 1.057 1451 F CA -0.935 56.709 58.000 -0.593 0.000 0.975 1451 F CB 1.061 39.916 39.000 -0.243 0.000 1.246 1451 F HN 0.141 nan 8.300 nan 0.000 0.484 1452 F N 2.022 122.074 119.950 0.171 0.000 2.477 1452 F HA 0.435 4.962 4.527 -0.000 0.000 0.335 1452 F C -0.769 175.188 175.800 0.261 0.000 1.130 1452 F CA -0.851 57.238 58.000 0.149 0.000 0.948 1452 F CB 0.986 40.033 39.000 0.078 0.000 1.154 1452 F HN 0.082 nan 8.300 nan 0.000 0.439 1453 F N 2.073 122.167 119.950 0.240 0.000 2.396 1453 F HA 0.349 4.876 4.527 -0.000 0.000 0.343 1453 F C 0.262 175.900 175.800 -0.271 0.000 1.104 1453 F CA -1.367 56.559 58.000 -0.123 0.000 1.161 1453 F CB 1.109 39.887 39.000 -0.371 0.000 1.146 1453 F HN 0.426 nan 8.300 nan 0.000 0.522 1454 E N 3.273 123.282 120.200 -0.317 0.000 2.182 1454 E HA 0.229 4.579 4.350 -0.000 0.000 0.258 1454 E C -1.276 174.806 176.600 -0.864 0.000 0.879 1454 E CA -0.566 55.318 56.400 -0.861 0.000 0.754 1454 E CB 1.193 30.594 29.700 -0.499 0.000 1.162 1454 E HN 0.259 nan 8.360 nan 0.000 0.419 1455 F N 2.333 121.680 119.950 -1.006 0.000 2.651 1455 F HA 0.075 4.602 4.527 -0.000 0.000 0.347 1455 F C 0.949 176.712 175.800 -0.061 0.000 1.284 1455 F CA -0.288 57.505 58.000 -0.345 0.000 1.175 1455 F CB 0.021 38.959 39.000 -0.103 0.000 1.542 1455 F HN 0.562 nan 8.300 nan 0.000 0.661 1456 C N 0.433 119.717 119.300 -0.026 0.000 2.594 1456 C HA 0.064 4.524 4.460 -0.000 0.000 0.265 1456 C C 1.063 176.107 174.990 0.090 0.000 1.351 1456 C CA 0.277 59.334 59.018 0.066 0.000 1.744 1456 C CB -0.853 26.866 27.740 -0.034 0.000 1.890 1456 C HN 0.696 nan 8.230 nan 0.000 0.551 1457 D N -1.928 118.524 120.400 0.087 0.000 2.781 1457 D HA 0.143 4.783 4.640 -0.000 0.000 0.295 1457 D C 0.300 176.691 176.300 0.150 0.000 1.143 1457 D CA -0.454 53.610 54.000 0.107 0.000 1.076 1457 D CB 0.691 41.521 40.800 0.049 0.000 1.444 1457 D HN 0.257 nan 8.370 nan 0.000 0.567 1458 Y N 0.709 121.038 120.300 0.048 0.000 2.293 1458 Y HA 0.020 4.570 4.550 -0.000 0.000 0.291 1458 Y C 0.769 176.706 175.900 0.060 0.000 1.137 1458 Y CA 1.453 59.583 58.100 0.050 0.000 1.202 1458 Y CB -0.086 38.381 38.460 0.011 0.000 0.990 1458 Y HN 0.182 nan 8.280 nan 0.000 0.537 1459 N N -0.118 118.161 118.700 -0.702 0.000 2.628 1459 N HA 0.251 4.991 4.740 -0.000 0.000 0.299 1459 N C -1.550 173.753 175.510 -0.346 0.000 1.834 1459 N CA -0.468 52.219 53.050 -0.605 0.000 0.871 1459 N CB 0.395 38.307 38.487 -0.959 0.000 1.377 1459 N HN 0.370 nan 8.380 nan 0.000 0.493 1460 K N -0.146 120.253 120.400 -0.002 0.000 2.542 1460 K HA 0.467 4.787 4.320 -0.000 0.000 0.259 1460 K C -1.742 174.864 176.600 0.010 0.000 0.932 1460 K CA -0.796 55.519 56.287 0.047 0.000 0.820 1460 K CB 3.280 35.719 32.500 -0.101 0.000 1.345 1460 K HN -0.024 nan 8.250 nan 0.000 0.432 1461 V N 0.895 120.721 119.914 -0.147 0.000 2.919 1461 V HA 0.863 4.983 4.120 -0.000 0.000 0.316 1461 V C -1.415 174.525 176.094 -0.257 0.000 1.077 1461 V CA -0.497 61.468 62.300 -0.558 0.000 0.977 1461 V CB 1.833 32.971 31.823 -1.141 0.000 1.039 1461 V HN 0.909 nan 8.190 nan 0.000 0.441 1462 A N 6.099 128.784 122.820 -0.224 0.000 2.330 1462 A HA 0.830 5.150 4.320 -0.000 0.000 0.313 1462 A C -0.860 176.816 177.584 0.155 0.000 1.124 1462 A CA -0.606 51.469 52.037 0.063 0.000 0.774 1462 A CB 0.845 19.883 19.000 0.063 0.000 1.198 1462 A HN 0.764 nan 8.150 nan 0.000 0.465 1463 I N 2.081 122.803 120.570 0.253 0.000 2.331 1463 I HA 0.377 4.547 4.170 -0.000 0.000 0.292 1463 I C 0.339 176.602 176.117 0.244 0.000 0.998 1463 I CA -0.200 61.244 61.300 0.240 0.000 1.267 1463 I CB 1.428 39.474 38.000 0.076 0.000 1.386 1463 I HN 0.571 nan 8.210 nan 0.000 0.476 1464 K N 5.899 126.401 120.400 0.170 0.000 2.324 1464 K HA 0.773 5.093 4.320 -0.000 0.000 0.253 1464 K C -1.827 174.796 176.600 0.038 0.000 0.932 1464 K CA -0.638 55.608 56.287 -0.068 0.000 0.799 1464 K CB 2.630 34.950 32.500 -0.300 0.000 1.154 1464 K HN 0.444 nan 8.250 nan 0.000 0.425 1465 V N 2.484 122.367 119.914 -0.052 0.000 2.851 1465 V HA 0.511 4.631 4.120 -0.000 0.000 0.307 1465 V C -0.063 175.957 176.094 -0.124 0.000 1.129 1465 V CA 0.522 62.707 62.300 -0.192 0.000 0.932 1465 V CB 1.607 33.122 31.823 -0.513 0.000 1.024 1465 V HN 1.008 nan 8.190 nan 0.000 0.426 1466 G N 4.218 112.955 108.800 -0.105 0.000 2.366 1466 G HA2 0.065 4.025 3.960 -0.000 0.000 0.299 1466 G HA3 0.065 4.025 3.960 -0.000 0.000 0.299 1466 G C 1.440 176.318 174.900 -0.036 0.000 1.020 1466 G CA 1.180 46.243 45.100 -0.061 0.000 1.026 1466 G HN 2.681 nan 8.290 nan 0.000 0.512 1467 G N -1.790 106.992 108.800 -0.031 0.000 2.189 1467 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.267 1467 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.267 1467 G C 0.476 175.339 174.900 -0.062 0.000 0.975 1467 G CA 1.499 46.575 45.100 -0.040 0.000 0.644 1467 G HN 1.117 nan 8.290 nan 0.000 0.537 1468 R N -1.497 118.951 120.500 -0.086 0.000 2.854 1468 R HA 0.698 5.038 4.340 -0.000 0.000 0.271 1468 R C -0.879 175.346 176.300 -0.125 0.000 0.994 1468 R CA -0.754 55.321 56.100 -0.041 0.000 0.945 1468 R CB 0.905 31.226 30.300 0.036 0.000 1.194 1468 R HN 0.144 nan 8.270 nan 0.000 0.476 1469 Y N 1.237 121.599 120.300 0.102 0.000 2.323 1469 Y HA 0.296 4.846 4.550 -0.000 0.000 0.331 1469 Y C -0.094 175.897 175.900 0.151 0.000 1.092 1469 Y CA -0.723 57.455 58.100 0.129 0.000 1.150 1469 Y CB 0.895 39.418 38.460 0.106 0.000 1.200 1469 Y HN 0.220 nan 8.280 nan 0.000 0.472 1470 L N 4.173 125.581 121.223 0.309 0.000 2.490 1470 L HA 0.148 4.488 4.340 -0.000 0.000 0.274 1470 L C -0.231 176.891 176.870 0.420 0.000 1.201 1470 L CA 0.079 55.073 54.840 0.257 0.000 0.869 1470 L CB -0.043 42.075 42.059 0.099 0.000 1.123 1470 L HN 0.718 nan 8.230 nan 0.000 0.484 1471 K N 1.735 122.340 120.400 0.342 0.000 2.569 1471 K HA 0.620 4.940 4.320 -0.000 0.000 0.259 1471 K C -0.679 176.091 176.600 0.284 0.000 0.932 1471 K CA -0.555 55.960 56.287 0.381 0.000 0.833 1471 K CB 1.177 33.803 32.500 0.209 0.000 1.340 1471 K HN 0.601 nan 8.250 nan 0.000 0.429 1472 G N 2.829 111.828 108.800 0.332 0.000 2.370 1472 G HA2 0.307 4.267 3.960 -0.000 0.000 0.272 1472 G HA3 0.307 4.267 3.960 -0.000 0.000 0.272 1472 G C -0.439 174.546 174.900 0.141 0.000 1.208 1472 G CA -0.294 44.931 45.100 0.208 0.000 0.856 1472 G HN 0.808 nan 8.290 nan 0.000 0.500 1473 D N 0.422 120.881 120.400 0.097 0.000 2.440 1473 D HA 0.121 4.761 4.640 -0.000 0.000 0.269 1473 D C 0.895 177.255 176.300 0.100 0.000 1.249 1473 D CA -0.563 53.519 54.000 0.136 0.000 1.055 1473 D CB -0.048 40.860 40.800 0.181 0.000 1.104 1473 D HN 0.558 nan 8.370 nan 0.000 0.561 1474 H N -2.444 116.608 119.070 -0.029 0.000 2.852 1474 H HA 0.370 4.925 4.556 -0.000 0.000 0.362 1474 H C 0.965 176.270 175.328 -0.039 0.000 1.122 1474 H CA 0.036 56.049 56.048 -0.058 0.000 1.419 1474 H CB 0.297 30.030 29.762 -0.049 0.000 1.401 1474 H HN 0.861 nan 8.280 nan 0.000 0.609 1475 A N 1.189 123.885 122.820 -0.207 0.000 4.018 1475 A HA -0.181 4.139 4.320 -0.000 0.000 0.252 1475 A C 1.833 179.339 177.584 -0.130 0.000 0.872 1475 A CA 1.898 53.801 52.037 -0.223 0.000 1.417 1475 A CB -2.337 16.429 19.000 -0.391 0.000 1.002 1475 A HN 2.288 nan 8.150 nan 0.000 0.777 1476 G N -1.549 107.188 108.800 -0.104 0.000 2.298 1476 G HA2 0.159 4.119 3.960 -0.000 0.000 0.287 1476 G HA3 0.159 4.119 3.960 -0.000 0.000 0.287 1476 G C 0.710 175.602 174.900 -0.012 0.000 1.075 1476 G CA 0.862 45.949 45.100 -0.022 0.000 0.960 1476 G HN 2.399 nan 8.290 nan 0.000 0.502 1477 V N -1.996 117.891 119.914 -0.045 0.000 2.394 1477 V HA 0.800 4.920 4.120 -0.000 0.000 0.282 1477 V C 0.721 176.795 176.094 -0.034 0.000 1.031 1477 V CA -1.719 60.551 62.300 -0.051 0.000 0.881 1477 V CB 1.825 33.603 31.823 -0.075 0.000 0.982 1477 V HN 0.594 nan 8.190 nan 0.000 0.451 1478 L N 5.192 126.371 121.223 -0.072 0.000 2.534 1478 L HA 0.364 4.704 4.340 -0.000 0.000 0.271 1478 L C 0.249 177.071 176.870 -0.080 0.000 1.178 1478 L CA 1.113 55.896 54.840 -0.096 0.000 0.907 1478 L CB -0.307 41.571 42.059 -0.301 0.000 1.164 1478 L HN 0.846 nan 8.230 nan 0.000 0.482 1479 K N 3.352 123.750 120.400 -0.003 0.000 2.435 1479 K HA 0.725 5.045 4.320 -0.000 0.000 0.251 1479 K C -0.794 175.838 176.600 0.053 0.000 0.954 1479 K CA -0.722 55.571 56.287 0.010 0.000 0.820 1479 K CB 1.916 34.431 32.500 0.026 0.000 1.292 1479 K HN 0.547 nan 8.250 nan 0.000 0.436 1480 A N 1.537 124.387 122.820 0.050 0.000 3.078 1480 A HA 0.176 4.495 4.320 -0.000 0.000 0.279 1480 A C 0.539 178.165 177.584 0.070 0.000 1.594 1480 A CA -0.166 51.915 52.037 0.074 0.000 1.301 1480 A CB -0.708 18.325 19.000 0.054 0.000 1.162 1480 A HN 0.711 nan 8.150 nan 0.000 0.585 1481 S N 0.238 115.995 115.700 0.094 0.000 2.554 1481 S HA 0.431 4.901 4.470 -0.000 0.000 0.227 1481 S C 1.016 175.681 174.600 0.108 0.000 1.050 1481 S CA 0.559 58.810 58.200 0.086 0.000 0.927 1481 S CB -0.200 63.047 63.200 0.077 0.000 0.859 1481 S HN 1.182 nan 8.310 nan 0.000 0.494 1482 A N 1.876 124.787 122.820 0.152 0.000 2.524 1482 A HA 0.343 4.663 4.320 -0.000 0.000 0.250 1482 A C 0.757 178.485 177.584 0.239 0.000 1.078 1482 A CA -0.131 52.014 52.037 0.180 0.000 0.761 1482 A CB 0.005 19.135 19.000 0.216 0.000 1.012 1482 A HN 0.524 nan 8.150 nan 0.000 0.500 1483 E N 0.366 120.673 120.200 0.179 0.000 2.447 1483 E HA 0.058 4.408 4.350 -0.000 0.000 0.195 1483 E C -0.074 176.669 176.600 0.239 0.000 1.028 1483 E CA 0.941 57.462 56.400 0.200 0.000 0.876 1483 E CB 0.344 30.113 29.700 0.115 0.000 0.885 1483 E HN 0.871 nan 8.360 nan 0.000 0.500 1484 T N -1.992 112.636 114.554 0.122 0.000 3.012 1484 T HA 0.347 4.697 4.350 -0.000 0.000 0.330 1484 T C -0.129 174.416 174.700 -0.259 0.000 1.321 1484 T CA -1.085 60.959 62.100 -0.093 0.000 1.067 1484 T CB 1.414 70.257 68.868 -0.042 0.000 1.235 1484 T HN -0.051 nan 8.240 nan 0.000 0.479 1485 V N 0.210 119.807 119.914 -0.529 0.000 3.096 1485 V HA 0.753 4.873 4.120 -0.000 0.000 0.306 1485 V C -0.426 175.544 176.094 -0.208 0.000 1.088 1485 V CA -0.121 61.940 62.300 -0.398 0.000 1.129 1485 V CB 0.300 31.843 31.823 -0.468 0.000 1.014 1485 V HN 1.302 nan 8.190 nan 0.000 0.486 1486 D N 0.849 121.145 120.400 -0.173 0.000 2.671 1486 D HA 0.443 5.083 4.640 -0.000 0.000 0.273 1486 D C -2.343 173.856 176.300 -0.169 0.000 1.264 1486 D CA -1.042 52.878 54.000 -0.134 0.000 0.788 1486 D CB 0.916 41.661 40.800 -0.092 0.000 1.324 1486 D HN 0.312 nan 8.370 nan 0.000 0.424 1487 P HA -0.215 nan 4.420 nan 0.000 0.216 1487 P C 1.221 178.351 177.300 -0.284 0.000 1.150 1487 P CA 2.112 65.084 63.100 -0.213 0.000 0.843 1487 P CB -0.148 31.448 31.700 -0.172 0.000 0.787 1488 A N 0.344 123.041 122.820 -0.205 0.000 2.125 1488 A HA -0.087 4.233 4.320 -0.000 0.000 0.219 1488 A C 1.973 179.388 177.584 -0.283 0.000 1.156 1488 A CA 1.848 53.772 52.037 -0.189 0.000 0.671 1488 A CB -1.007 17.964 19.000 -0.048 0.000 0.794 1488 A HN 0.431 nan 8.150 nan 0.000 0.459 1489 S N -1.688 113.834 115.700 -0.297 0.000 2.749 1489 S HA 0.516 4.986 4.470 -0.000 0.000 0.246 1489 S C -0.123 174.212 174.600 -0.442 0.000 1.023 1489 S CA -0.497 57.548 58.200 -0.257 0.000 1.012 1489 S CB -0.223 62.986 63.200 0.015 0.000 0.942 1489 S HN 0.231 nan 8.310 nan 0.000 0.531 1490 L N 2.324 123.165 121.223 -0.636 0.000 2.287 1490 L HA 0.579 4.919 4.340 -0.000 0.000 0.287 1490 L C -1.217 175.177 176.870 -0.793 0.000 1.022 1490 L CA -0.690 53.843 54.840 -0.510 0.000 0.814 1490 L CB 0.998 42.868 42.059 -0.316 0.000 1.217 1490 L HN 0.407 nan 8.230 nan 0.000 0.420 1491 W N 2.124 123.380 121.300 -0.074 0.000 2.520 1491 W HA 0.389 5.049 4.660 -0.000 0.000 0.323 1491 W C 0.189 176.737 176.519 0.048 0.000 1.062 1491 W CA -0.530 56.818 57.345 0.005 0.000 1.215 1491 W CB 1.175 30.652 29.460 0.028 0.000 1.340 1491 W HN 0.383 nan 8.180 nan 0.000 0.516 1492 E N 3.601 123.929 120.200 0.214 0.000 2.130 1492 E HA 0.157 4.506 4.350 -0.000 0.000 0.284 1492 E C -0.883 175.798 176.600 0.136 0.000 1.018 1492 E CA -0.566 55.872 56.400 0.063 0.000 0.817 1492 E CB 0.460 30.148 29.700 -0.020 0.000 1.078 1492 E HN 0.421 nan 8.360 nan 0.000 0.396 1493 Y N 0.000 120.241 120.300 -0.098 0.000 2.660 1493 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 1493 Y CA 0.000 57.969 58.100 -0.218 0.000 1.940 1493 Y CB 0.000 38.316 38.460 -0.239 0.000 1.050 1493 Y HN 0.000 nan 8.280 nan 0.000 0.758