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 1kzg_1_D DATA FIRST_RESID 1001 DATA SEQUENCE MQTIKCVVVG DGAVGKTCLL ISYTTNKFPS EYVPTVFDNY AVTVMIGGEP DATA SEQUENCE YTLGLFDTAG QEDYDRLRPL SYPQTDVFLV CFSVVSPSSF ENVKEKWVPE DATA SEQUENCE ITHHCPKTPF LLVGTQIDLR DDPSTIEKLA KNKQKPITPE TAEKLARDLK DATA SEQUENCE AVKYVECSAL TQKGLKNVFD EAILAAL 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 1001 M HA 0.000 nan 4.480 nan 0.000 0.227 1001 M C 0.000 176.313 176.300 0.022 0.000 1.140 1001 M CA 0.000 55.299 55.300 -0.001 0.000 0.988 1001 M CB 0.000 32.592 32.600 -0.013 0.000 1.302 1002 Q N 1.353 121.177 119.800 0.041 0.000 2.012 1002 Q HA -0.069 4.271 4.340 -0.000 0.000 0.211 1002 Q C -0.419 175.616 176.000 0.059 0.000 1.009 1002 Q CA 1.939 57.775 55.803 0.055 0.000 0.866 1002 Q CB -0.560 28.226 28.738 0.080 0.000 0.945 1002 Q HN 0.795 nan 8.270 nan 0.000 0.414 1003 T N 0.770 115.371 114.554 0.078 0.000 1.117 1003 T HA -0.058 4.292 4.350 -0.000 0.000 0.715 1003 T C -0.649 174.104 174.700 0.088 0.000 0.976 1003 T CA 0.074 62.223 62.100 0.082 0.000 3.779 1003 T CB -0.905 68.003 68.868 0.067 0.000 2.152 1003 T HN 0.315 nan 8.240 nan 0.000 0.403 1004 I N 3.081 123.713 120.570 0.104 0.000 2.301 1004 I HA 0.274 4.444 4.170 -0.000 0.000 0.292 1004 I C 0.773 176.951 176.117 0.102 0.000 1.046 1004 I CA -0.365 60.986 61.300 0.084 0.000 1.282 1004 I CB 1.047 39.095 38.000 0.080 0.000 1.409 1004 I HN 0.390 nan 8.210 nan 0.000 0.484 1005 K N 6.757 127.188 120.400 0.053 0.000 2.310 1005 K HA 0.245 4.565 4.320 -0.000 0.000 0.290 1005 K C -0.897 175.683 176.600 -0.033 0.000 1.077 1005 K CA -0.356 55.955 56.287 0.041 0.000 0.922 1005 K CB 0.693 33.118 32.500 -0.125 0.000 1.057 1005 K HN 0.705 nan 8.250 nan 0.000 0.479 1006 C N 5.677 125.047 119.300 0.117 0.000 2.298 1006 C HA 0.554 5.014 4.460 -0.000 0.000 0.323 1006 C C -0.728 174.336 174.990 0.124 0.000 1.284 1006 C CA -0.531 58.530 59.018 0.072 0.000 1.577 1006 C CB 0.065 27.913 27.740 0.179 0.000 2.249 1006 C HN 0.622 nan 8.230 nan 0.000 0.497 1007 V N 7.117 126.985 119.914 -0.077 0.000 2.417 1007 V HA 0.440 4.560 4.120 -0.000 0.000 0.291 1007 V C -0.152 176.029 176.094 0.145 0.000 1.024 1007 V CA -0.436 61.891 62.300 0.044 0.000 0.861 1007 V CB 1.764 33.527 31.823 -0.100 0.000 0.985 1007 V HN 0.706 nan 8.190 nan 0.000 0.436 1008 V N 6.303 126.317 119.914 0.167 0.000 2.333 1008 V HA 0.492 4.612 4.120 -0.000 0.000 0.274 1008 V C 0.144 176.258 176.094 0.033 0.000 1.028 1008 V CA -0.332 62.019 62.300 0.084 0.000 0.851 1008 V CB 1.314 33.164 31.823 0.045 0.000 1.000 1008 V HN 0.743 nan 8.190 nan 0.000 0.456 1009 V N 2.287 122.166 119.914 -0.058 0.000 3.166 1009 V HA 1.164 5.284 4.120 -0.000 0.000 0.317 1009 V C 0.228 175.955 176.094 -0.612 0.000 1.136 1009 V CA -0.147 61.961 62.300 -0.320 0.000 1.035 1009 V CB 1.536 33.179 31.823 -0.299 0.000 1.110 1009 V HN 1.431 nan 8.190 nan 0.000 0.450 1010 G N 0.116 108.124 108.800 -1.320 0.000 2.326 1010 G HA2 0.204 4.164 3.960 -0.000 0.000 0.413 1010 G HA3 0.204 4.164 3.960 -0.000 0.000 0.413 1010 G C -1.509 172.962 174.900 -0.716 0.000 1.444 1010 G CA -0.592 43.788 45.100 -1.200 0.000 1.002 1010 G HN 0.955 nan 8.290 nan 0.000 0.649 1011 D N 0.041 120.400 120.400 -0.068 0.000 2.478 1011 D HA 0.432 5.072 4.640 -0.000 0.000 0.234 1011 D C 1.395 177.749 176.300 0.089 0.000 1.154 1011 D CA 1.341 55.487 54.000 0.242 0.000 0.874 1011 D CB 0.706 41.683 40.800 0.295 0.000 1.198 1011 D HN 0.811 nan 8.370 nan 0.000 0.455 1012 G N -0.164 108.711 108.800 0.123 0.000 2.614 1012 G HA2 0.359 4.319 3.960 -0.000 0.000 0.239 1012 G HA3 0.359 4.319 3.960 -0.000 0.000 0.239 1012 G C 0.741 175.683 174.900 0.069 0.000 1.240 1012 G CA 0.258 45.403 45.100 0.076 0.000 0.842 1012 G HN 0.901 nan 8.290 nan 0.000 0.584 1013 A N -1.014 121.836 122.820 0.050 0.000 3.383 1013 A HA -0.214 4.106 4.320 -0.000 0.000 0.264 1013 A C 1.744 179.355 177.584 0.045 0.000 1.154 1013 A CA 2.191 54.257 52.037 0.049 0.000 1.179 1013 A CB -2.231 16.805 19.000 0.060 0.000 1.133 1013 A HN 2.238 nan 8.150 nan 0.000 0.933 1014 V N -3.067 116.868 119.914 0.034 0.000 3.649 1014 V HA 0.558 4.678 4.120 -0.000 0.000 0.275 1014 V C 1.711 177.798 176.094 -0.011 0.000 1.281 1014 V CA 1.123 63.436 62.300 0.022 0.000 1.143 1014 V CB -0.455 31.381 31.823 0.022 0.000 0.892 1014 V HN 2.471 nan 8.190 nan 0.000 0.441 1015 G N 0.822 109.620 108.800 -0.003 0.000 2.142 1015 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.225 1015 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.225 1015 G C 0.616 175.500 174.900 -0.027 0.000 1.015 1015 G CA 0.538 45.635 45.100 -0.004 0.000 0.716 1015 G HN 0.511 nan 8.290 nan 0.000 0.508 1016 K N -0.491 119.883 120.400 -0.043 0.000 1.991 1016 K HA -0.128 4.192 4.320 -0.000 0.000 0.212 1016 K C 2.632 179.180 176.600 -0.087 0.000 1.049 1016 K CA 2.047 58.296 56.287 -0.065 0.000 0.932 1016 K CB -0.472 31.990 32.500 -0.064 0.000 0.717 1016 K HN 0.381 nan 8.250 nan 0.000 0.441 1017 T N 1.330 115.845 114.554 -0.066 0.000 2.652 1017 T HA -0.244 4.106 4.350 -0.000 0.000 0.267 1017 T C 2.147 176.778 174.700 -0.117 0.000 1.039 1017 T CA 1.457 63.502 62.100 -0.090 0.000 1.153 1017 T CB -0.737 68.121 68.868 -0.015 0.000 0.863 1017 T HN 0.363 nan 8.240 nan 0.000 0.428 1018 C N 1.036 120.305 119.300 -0.052 0.000 2.398 1018 C HA -0.071 4.389 4.460 -0.000 0.000 0.276 1018 C C 2.659 177.661 174.990 0.019 0.000 1.222 1018 C CA 0.936 59.951 59.018 -0.006 0.000 1.746 1018 C CB -1.520 26.270 27.740 0.084 0.000 2.039 1018 C HN 0.621 nan 8.230 nan 0.000 0.470 1019 L N -0.114 121.109 121.223 -0.000 0.000 2.046 1019 L HA -0.129 4.211 4.340 -0.000 0.000 0.208 1019 L C 2.421 179.289 176.870 -0.003 0.000 1.077 1019 L CA 1.785 56.641 54.840 0.026 0.000 0.747 1019 L CB -0.357 41.704 42.059 0.004 0.000 0.896 1019 L HN 0.397 nan 8.230 nan 0.000 0.432 1020 L N -0.615 120.490 121.223 -0.196 0.000 2.056 1020 L HA -0.217 4.123 4.340 -0.000 0.000 0.207 1020 L C 2.529 179.172 176.870 -0.378 0.000 1.078 1020 L CA 0.668 55.213 54.840 -0.491 0.000 0.749 1020 L CB -0.458 40.816 42.059 -1.308 0.000 0.901 1020 L HN 0.269 nan 8.230 nan 0.000 0.433 1021 I N -0.629 119.800 120.570 -0.236 0.000 2.179 1021 I HA -0.293 3.877 4.170 -0.000 0.000 0.242 1021 I C 2.792 178.891 176.117 -0.031 0.000 1.088 1021 I CA 1.490 62.761 61.300 -0.048 0.000 1.357 1021 I CB -1.212 36.752 38.000 -0.060 0.000 1.051 1021 I HN 0.231 nan 8.210 nan 0.000 0.409 1022 S N -0.032 115.679 115.700 0.018 0.000 2.370 1022 S HA -0.255 4.215 4.470 -0.000 0.000 0.226 1022 S C 2.205 176.857 174.600 0.086 0.000 1.033 1022 S CA 1.329 59.585 58.200 0.093 0.000 1.011 1022 S CB -0.469 62.848 63.200 0.196 0.000 0.852 1022 S HN 0.470 nan 8.310 nan 0.000 0.457 1023 Y N 2.345 122.598 120.300 -0.078 0.000 2.263 1023 Y HA -0.065 4.485 4.550 -0.000 0.000 0.292 1023 Y C 2.675 178.491 175.900 -0.139 0.000 1.130 1023 Y CA 2.128 60.145 58.100 -0.138 0.000 1.179 1023 Y CB -0.926 37.316 38.460 -0.364 0.000 0.998 1023 Y HN 0.475 nan 8.280 nan 0.000 0.532 1024 T N -3.858 110.572 114.554 -0.205 0.000 3.014 1024 T HA -0.070 4.280 4.350 -0.000 0.000 0.263 1024 T C 1.553 176.130 174.700 -0.206 0.000 1.078 1024 T CA 1.227 63.167 62.100 -0.266 0.000 1.135 1024 T CB -0.845 67.859 68.868 -0.274 0.000 0.895 1024 T HN 0.444 nan 8.240 nan 0.000 0.480 1025 T N -0.719 113.752 114.554 -0.138 0.000 3.069 1025 T HA 0.196 4.546 4.350 -0.000 0.000 0.252 1025 T C 0.816 175.476 174.700 -0.066 0.000 1.053 1025 T CA -0.167 61.874 62.100 -0.098 0.000 0.964 1025 T CB -0.468 68.351 68.868 -0.082 0.000 1.005 1025 T HN 0.371 nan 8.240 nan 0.000 0.532 1026 N N 1.500 120.158 118.700 -0.070 0.000 2.661 1026 N HA -0.183 4.557 4.740 -0.000 0.000 0.249 1026 N C -0.448 175.069 175.510 0.011 0.000 1.142 1026 N CA 1.815 54.846 53.050 -0.032 0.000 0.727 1026 N CB -1.057 37.400 38.487 -0.050 0.000 1.099 1026 N HN 0.842 nan 8.380 nan 0.000 0.558 1027 K N -1.305 119.110 120.400 0.025 0.000 2.543 1027 K HA 0.492 4.812 4.320 -0.000 0.000 0.255 1027 K C -1.147 175.507 176.600 0.090 0.000 0.934 1027 K CA -0.861 55.461 56.287 0.058 0.000 0.810 1027 K CB 0.619 33.134 32.500 0.024 0.000 1.315 1027 K HN -0.081 nan 8.250 nan 0.000 0.433 1028 F N 3.599 123.543 119.950 -0.011 0.000 2.427 1028 F HA 0.450 4.977 4.527 -0.000 0.000 0.352 1028 F C -1.950 173.842 175.800 -0.014 0.000 1.100 1028 F CA -2.135 55.856 58.000 -0.014 0.000 1.191 1028 F CB 0.987 39.980 39.000 -0.011 0.000 1.128 1028 F HN 0.503 nan 8.300 nan 0.000 0.533 1029 P HA 0.054 nan 4.420 nan 0.000 0.258 1029 P C 0.047 177.065 177.300 -0.470 0.000 1.214 1029 P CA 0.483 63.225 63.100 -0.596 0.000 0.872 1029 P CB 0.517 31.822 31.700 -0.658 0.000 0.890 1030 S N 3.378 119.006 115.700 -0.120 0.000 2.361 1030 S HA -0.195 4.275 4.470 -0.000 0.000 0.214 1030 S C 1.599 176.221 174.600 0.036 0.000 1.034 1030 S CA 1.566 59.788 58.200 0.037 0.000 1.025 1030 S CB -0.374 62.861 63.200 0.059 0.000 0.996 1030 S HN 0.640 nan 8.310 nan 0.000 0.422 1031 E N -0.631 119.591 120.200 0.038 0.000 2.371 1031 E HA -0.000 4.350 4.350 -0.000 0.000 0.194 1031 E C -0.100 176.583 176.600 0.138 0.000 1.012 1031 E CA 0.428 56.873 56.400 0.074 0.000 0.860 1031 E CB 0.089 29.827 29.700 0.064 0.000 0.811 1031 E HN 0.560 nan 8.360 nan 0.000 0.502 1032 Y N 0.631 120.889 120.300 -0.069 0.000 2.323 1032 Y HA 0.282 4.832 4.550 -0.000 0.000 0.322 1032 Y C -1.484 174.343 175.900 -0.121 0.000 1.133 1032 Y CA -1.365 56.693 58.100 -0.070 0.000 1.093 1032 Y CB 1.587 40.017 38.460 -0.050 0.000 1.203 1032 Y HN -0.209 nan 8.280 nan 0.000 0.427 1033 V N 9.059 128.598 119.914 -0.625 0.000 2.405 1033 V HA 0.275 4.394 4.120 -0.000 0.000 0.264 1033 V C -1.940 173.635 176.094 -0.866 0.000 1.048 1033 V CA -1.471 60.457 62.300 -0.619 0.000 0.966 1033 V CB 0.348 31.957 31.823 -0.355 0.000 1.015 1033 V HN 0.669 nan 8.190 nan 0.000 0.477 1034 P HA 0.096 nan 4.420 nan 0.000 0.267 1034 P C 0.884 178.040 177.300 -0.240 0.000 1.200 1034 P CA 0.275 63.120 63.100 -0.424 0.000 0.772 1034 P CB 0.613 32.209 31.700 -0.173 0.000 0.855 1035 T N 0.176 114.665 114.554 -0.108 0.000 3.010 1035 T HA 0.071 4.421 4.350 -0.000 0.000 0.252 1035 T C 0.681 175.400 174.700 0.032 0.000 1.047 1035 T CA 0.525 62.613 62.100 -0.020 0.000 1.140 1035 T CB 0.193 69.084 68.868 0.039 0.000 0.885 1035 T HN 0.110 nan 8.240 nan 0.000 0.464 1036 V N 2.174 122.115 119.914 0.044 0.000 2.481 1036 V HA 0.526 4.646 4.120 -0.000 0.000 0.286 1036 V C -0.981 175.176 176.094 0.104 0.000 1.042 1036 V CA -0.864 61.476 62.300 0.066 0.000 0.928 1036 V CB 1.238 33.081 31.823 0.034 0.000 0.986 1036 V HN 0.365 nan 8.190 nan 0.000 0.462 1037 F N 3.608 123.539 119.950 -0.030 0.000 2.716 1037 F HA 0.475 5.002 4.527 -0.000 0.000 0.354 1037 F C -0.109 175.670 175.800 -0.035 0.000 1.168 1037 F CA -0.700 57.270 58.000 -0.050 0.000 1.045 1037 F CB 0.844 39.818 39.000 -0.044 0.000 1.311 1037 F HN 0.491 nan 8.300 nan 0.000 0.477 1038 D N 3.771 123.880 120.400 -0.485 0.000 2.339 1038 D HA 0.076 4.716 4.640 -0.000 0.000 0.245 1038 D C -0.155 175.841 176.300 -0.506 0.000 1.115 1038 D CA 0.033 53.822 54.000 -0.351 0.000 0.917 1038 D CB 0.721 41.374 40.800 -0.246 0.000 1.192 1038 D HN 0.436 nan 8.370 nan 0.000 0.428 1039 N N 1.143 119.644 118.700 -0.333 0.000 2.219 1039 N HA -0.129 4.611 4.740 -0.000 0.000 0.263 1039 N C -0.546 174.771 175.510 -0.323 0.000 1.269 1039 N CA 0.772 53.532 53.050 -0.482 0.000 0.831 1039 N CB 0.003 38.115 38.487 -0.625 0.000 1.059 1039 N HN 0.399 nan 8.380 nan 0.000 0.475 1040 Y N 0.099 120.166 120.300 -0.389 0.000 2.477 1040 Y HA 0.541 5.091 4.550 -0.000 0.000 0.347 1040 Y C -1.134 174.706 175.900 -0.100 0.000 0.981 1040 Y CA -1.235 56.716 58.100 -0.247 0.000 1.033 1040 Y CB 1.508 39.822 38.460 -0.242 0.000 1.245 1040 Y HN 0.579 nan 8.280 nan 0.000 0.455 1041 A N 4.945 127.376 122.820 -0.648 0.000 2.273 1041 A HA 0.684 5.004 4.320 -0.000 0.000 0.315 1041 A C -1.531 175.726 177.584 -0.545 0.000 1.256 1041 A CA -0.473 51.312 52.037 -0.420 0.000 0.851 1041 A CB 0.073 18.904 19.000 -0.282 0.000 1.172 1041 A HN 0.942 nan 8.150 nan 0.000 0.508 1042 V N 0.924 120.718 119.914 -0.199 0.000 2.409 1042 V HA 0.686 4.806 4.120 -0.000 0.000 0.291 1042 V C -0.032 176.061 176.094 -0.003 0.000 1.020 1042 V CA -0.457 61.787 62.300 -0.093 0.000 0.848 1042 V CB 0.961 32.824 31.823 0.066 0.000 0.990 1042 V HN 0.660 nan 8.190 nan 0.000 0.430 1043 T N 4.585 119.127 114.554 -0.021 0.000 2.780 1043 T HA 0.616 4.966 4.350 -0.000 0.000 0.294 1043 T C -0.112 174.622 174.700 0.056 0.000 0.949 1043 T CA -0.193 61.919 62.100 0.020 0.000 1.074 1043 T CB 1.372 70.231 68.868 -0.016 0.000 0.910 1043 T HN 0.666 nan 8.240 nan 0.000 0.501 1044 V N 4.859 124.845 119.914 0.120 0.000 2.604 1044 V HA 0.423 4.543 4.120 -0.000 0.000 0.305 1044 V C -0.219 175.977 176.094 0.169 0.000 1.043 1044 V CA -1.047 61.343 62.300 0.150 0.000 0.888 1044 V CB 1.983 33.934 31.823 0.213 0.000 0.995 1044 V HN 0.784 nan 8.190 nan 0.000 0.429 1045 M N 5.807 125.480 119.600 0.121 0.000 2.105 1045 M HA 0.490 4.970 4.480 -0.000 0.000 0.350 1045 M C -0.856 175.545 176.300 0.168 0.000 1.308 1045 M CA -0.225 55.138 55.300 0.105 0.000 1.108 1045 M CB 0.638 33.269 32.600 0.052 0.000 1.622 1045 M HN 0.297 nan 8.290 nan 0.000 0.468 1046 I N 2.233 122.961 120.570 0.263 0.000 2.439 1046 I HA 0.325 4.495 4.170 -0.000 0.000 0.283 1046 I C 0.977 177.235 176.117 0.235 0.000 1.023 1046 I CA -0.365 61.093 61.300 0.263 0.000 1.100 1046 I CB 1.061 39.237 38.000 0.293 0.000 1.238 1046 I HN 0.953 nan 8.210 nan 0.000 0.445 1047 G N 4.590 113.469 108.800 0.130 0.000 2.273 1047 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.280 1047 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.280 1047 G C 1.029 175.975 174.900 0.077 0.000 1.047 1047 G CA 0.685 45.843 45.100 0.097 0.000 0.869 1047 G HN 1.656 nan 8.290 nan 0.000 0.502 1048 G N -1.645 107.191 108.800 0.060 0.000 2.168 1048 G HA2 -0.125 3.834 3.960 -0.000 0.000 0.257 1048 G HA3 -0.125 3.834 3.960 -0.000 0.000 0.257 1048 G C 0.077 174.970 174.900 -0.012 0.000 0.997 1048 G CA 1.322 46.436 45.100 0.023 0.000 0.708 1048 G HN 1.318 nan 8.290 nan 0.000 0.520 1049 E N 0.506 120.695 120.200 -0.018 0.000 2.212 1049 E HA 0.632 4.982 4.350 -0.000 0.000 0.268 1049 E C -2.449 173.921 176.600 -0.382 0.000 0.902 1049 E CA -2.226 54.054 56.400 -0.200 0.000 0.779 1049 E CB 2.587 32.163 29.700 -0.206 0.000 1.172 1049 E HN 0.115 nan 8.360 nan 0.000 0.409 1050 P HA 0.263 nan 4.420 nan 0.000 0.294 1050 P C -1.351 175.583 177.300 -0.611 0.000 1.294 1050 P CA -0.443 62.438 63.100 -0.365 0.000 0.827 1050 P CB 0.621 32.207 31.700 -0.191 0.000 0.992 1051 Y N -0.267 120.048 120.300 0.026 0.000 2.346 1051 Y HA 0.280 4.830 4.550 -0.000 0.000 0.332 1051 Y C 0.796 176.717 175.900 0.034 0.000 0.985 1051 Y CA -0.587 57.532 58.100 0.032 0.000 1.112 1051 Y CB 1.881 40.367 38.460 0.043 0.000 1.170 1051 Y HN 0.157 nan 8.280 nan 0.000 0.447 1052 T N 4.811 119.450 114.554 0.141 0.000 2.832 1052 T HA 0.364 4.714 4.350 -0.000 0.000 0.296 1052 T C -0.968 173.803 174.700 0.119 0.000 0.968 1052 T CA -0.223 61.930 62.100 0.088 0.000 1.107 1052 T CB 0.403 69.291 68.868 0.034 0.000 0.916 1052 T HN 0.349 nan 8.240 nan 0.000 0.517 1053 L N 4.026 125.315 121.223 0.111 0.000 2.319 1053 L HA 0.666 5.006 4.340 -0.000 0.000 0.281 1053 L C 0.273 177.228 176.870 0.143 0.000 1.005 1053 L CA -0.258 54.672 54.840 0.151 0.000 0.828 1053 L CB 1.002 43.180 42.059 0.199 0.000 1.227 1053 L HN 0.688 nan 8.230 nan 0.000 0.415 1054 G N 6.463 115.378 108.800 0.192 0.000 2.393 1054 G HA2 0.477 4.437 3.960 -0.000 0.000 0.311 1054 G HA3 0.477 4.437 3.960 -0.000 0.000 0.311 1054 G C -0.608 174.510 174.900 0.362 0.000 1.067 1054 G CA -0.451 44.787 45.100 0.231 0.000 1.000 1054 G HN 0.573 nan 8.290 nan 0.000 0.422 1055 L N 2.256 123.628 121.223 0.248 0.000 2.292 1055 L HA 0.498 4.838 4.340 -0.000 0.000 0.284 1055 L C -0.717 176.318 176.870 0.275 0.000 1.065 1055 L CA -0.580 54.489 54.840 0.381 0.000 0.806 1055 L CB 1.086 43.406 42.059 0.435 0.000 1.175 1055 L HN 0.326 nan 8.230 nan 0.000 0.431 1056 F N 1.059 121.172 119.950 0.271 0.000 2.507 1056 F HA 0.314 4.841 4.527 -0.000 0.000 0.328 1056 F C 0.203 176.137 175.800 0.223 0.000 1.136 1056 F CA -1.014 57.136 58.000 0.251 0.000 0.930 1056 F CB 1.423 40.519 39.000 0.159 0.000 1.166 1056 F HN 0.362 nan 8.300 nan 0.000 0.436 1057 D N 0.629 121.276 120.400 0.411 0.000 2.312 1057 D HA 0.360 4.999 4.640 -0.000 0.000 0.248 1057 D C 0.735 177.178 176.300 0.239 0.000 1.086 1057 D CA -0.048 54.106 54.000 0.257 0.000 0.948 1057 D CB 1.647 42.612 40.800 0.276 0.000 1.162 1057 D HN 0.621 nan 8.370 nan 0.000 0.446 1058 T N -1.260 113.389 114.554 0.158 0.000 3.058 1058 T HA 0.455 4.805 4.350 -0.000 0.000 0.278 1058 T C 0.702 175.474 174.700 0.119 0.000 0.974 1058 T CA 0.075 62.265 62.100 0.150 0.000 0.893 1058 T CB -0.082 68.869 68.868 0.139 0.000 1.138 1058 T HN 0.478 nan 8.240 nan 0.000 0.529 1059 A N 0.857 123.735 122.820 0.096 0.000 2.598 1059 A HA 0.453 4.773 4.320 -0.000 0.000 0.239 1059 A C 1.789 179.442 177.584 0.115 0.000 1.032 1059 A CA 0.829 52.917 52.037 0.086 0.000 0.760 1059 A CB -1.154 17.890 19.000 0.072 0.000 0.946 1059 A HN 1.736 nan 8.150 nan 0.000 0.512 1060 G N 1.413 110.289 108.800 0.126 0.000 2.195 1060 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.246 1060 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.246 1060 G C 0.600 175.650 174.900 0.250 0.000 0.984 1060 G CA 0.775 45.974 45.100 0.165 0.000 0.633 1060 G HN 0.849 nan 8.290 nan 0.000 0.525 1061 Q N -0.269 119.669 119.800 0.231 0.000 2.281 1061 Q HA 0.304 4.644 4.340 -0.000 0.000 0.215 1061 Q C 1.857 178.005 176.000 0.247 0.000 0.867 1061 Q CA 0.486 56.474 55.803 0.309 0.000 0.940 1061 Q CB 0.237 29.108 28.738 0.222 0.000 1.111 1061 Q HN 0.527 nan 8.270 nan 0.000 0.513 1062 E N 1.332 121.653 120.200 0.202 0.000 2.208 1062 E HA -0.220 4.130 4.350 -0.000 0.000 0.202 1062 E C 0.832 177.468 176.600 0.060 0.000 1.014 1062 E CA 1.499 58.055 56.400 0.260 0.000 0.819 1062 E CB 0.003 29.857 29.700 0.257 0.000 0.735 1062 E HN 0.303 nan 8.360 nan 0.000 0.469 1063 D N -1.186 119.072 120.400 -0.237 0.000 2.350 1063 D HA -0.023 4.617 4.640 -0.000 0.000 0.213 1063 D C -0.378 175.518 176.300 -0.673 0.000 1.031 1063 D CA 0.350 54.035 54.000 -0.524 0.000 0.861 1063 D CB 0.155 40.508 40.800 -0.745 0.000 0.926 1063 D HN 0.305 nan 8.370 nan 0.000 0.520 1064 Y N 1.572 121.905 120.300 0.054 0.000 2.721 1064 Y HA 0.134 4.684 4.550 -0.000 0.000 0.328 1064 Y C 0.985 176.895 175.900 0.016 0.000 1.003 1064 Y CA -1.151 56.967 58.100 0.029 0.000 1.275 1064 Y CB 0.676 39.152 38.460 0.027 0.000 1.097 1064 Y HN -0.213 nan 8.280 nan 0.000 0.514 1065 D N 0.143 120.587 120.400 0.074 0.000 2.384 1065 D HA -0.156 4.484 4.640 -0.000 0.000 0.222 1065 D C 1.420 177.750 176.300 0.050 0.000 0.976 1065 D CA 1.002 55.026 54.000 0.041 0.000 0.915 1065 D CB 0.280 41.082 40.800 0.004 0.000 0.896 1065 D HN 0.314 nan 8.370 nan 0.000 0.523 1066 R N -0.556 119.989 120.500 0.075 0.000 2.250 1066 R HA 0.303 4.643 4.340 -0.000 0.000 0.194 1066 R C 2.249 178.561 176.300 0.019 0.000 0.927 1066 R CA 0.049 56.178 56.100 0.048 0.000 1.052 1066 R CB 0.025 30.358 30.300 0.054 0.000 1.055 1066 R HN 0.293 nan 8.270 nan 0.000 0.537 1067 L N -0.078 121.175 121.223 0.049 0.000 2.168 1067 L HA 0.104 4.444 4.340 -0.000 0.000 0.203 1067 L C 2.700 179.552 176.870 -0.030 0.000 1.078 1067 L CA 0.584 55.433 54.840 0.017 0.000 0.780 1067 L CB -0.435 41.647 42.059 0.038 0.000 0.939 1067 L HN 0.049 nan 8.230 nan 0.000 0.451 1068 R N 0.895 121.393 120.500 -0.002 0.000 2.112 1068 R HA -0.207 4.133 4.340 -0.000 0.000 0.242 1068 R C -0.557 175.468 176.300 -0.459 0.000 1.137 1068 R CA 2.213 58.268 56.100 -0.075 0.000 0.944 1068 R CB -1.238 29.092 30.300 0.049 0.000 0.857 1068 R HN 0.246 nan 8.270 nan 0.000 0.435 1069 P HA -0.049 nan 4.420 nan 0.000 0.226 1069 P C 0.870 177.796 177.300 -0.622 0.000 1.153 1069 P CA 0.861 63.303 63.100 -1.096 0.000 0.777 1069 P CB -0.037 31.221 31.700 -0.738 0.000 0.794 1070 L N -1.323 119.715 121.223 -0.309 0.000 2.349 1070 L HA -0.143 4.197 4.340 -0.000 0.000 0.220 1070 L C 1.956 178.763 176.870 -0.105 0.000 1.130 1070 L CA 1.239 55.997 54.840 -0.137 0.000 0.791 1070 L CB -0.803 41.217 42.059 -0.065 0.000 0.918 1070 L HN 0.005 nan 8.230 nan 0.000 0.444 1071 S N -1.821 113.782 115.700 -0.161 0.000 2.501 1071 S HA 0.007 4.477 4.470 -0.000 0.000 0.220 1071 S C 1.760 176.423 174.600 0.104 0.000 0.997 1071 S CA 0.125 58.314 58.200 -0.018 0.000 0.919 1071 S CB -0.062 63.180 63.200 0.070 0.000 0.778 1071 S HN 0.423 nan 8.310 nan 0.000 0.523 1072 Y N 1.675 121.991 120.300 0.027 0.000 2.181 1072 Y HA -0.026 4.524 4.550 -0.000 0.000 0.288 1072 Y C -1.436 174.484 175.900 0.033 0.000 1.146 1072 Y CA -0.516 57.652 58.100 0.113 0.000 1.164 1072 Y CB -1.803 36.757 38.460 0.167 0.000 0.982 1072 Y HN 0.165 nan 8.280 nan 0.000 0.515 1073 P HA -0.097 nan 4.420 nan 0.000 0.263 1073 P C -0.299 176.999 177.300 -0.004 0.000 1.175 1073 P CA 1.180 64.331 63.100 0.085 0.000 0.761 1073 P CB 0.280 32.017 31.700 0.062 0.000 0.794 1074 Q N -1.490 118.307 119.800 -0.005 0.000 2.460 1074 Q HA -0.156 4.184 4.340 -0.000 0.000 0.248 1074 Q C -0.297 175.635 176.000 -0.113 0.000 0.847 1074 Q CA 1.150 56.927 55.803 -0.043 0.000 1.214 1074 Q CB -3.254 25.459 28.738 -0.042 0.000 1.523 1074 Q HN 0.458 nan 8.270 nan 0.000 0.602 1075 T N 1.832 116.288 114.554 -0.164 0.000 2.851 1075 T HA 0.154 4.504 4.350 -0.000 0.000 0.298 1075 T C 1.043 175.600 174.700 -0.239 0.000 0.977 1075 T CA -0.151 61.744 62.100 -0.342 0.000 1.126 1075 T CB 0.656 69.077 68.868 -0.745 0.000 0.916 1075 T HN 0.038 nan 8.240 nan 0.000 0.529 1076 D N 1.280 121.557 120.400 -0.205 0.000 2.355 1076 D HA 0.164 4.804 4.640 -0.000 0.000 0.206 1076 D C 0.370 176.610 176.300 -0.100 0.000 1.010 1076 D CA 0.527 54.465 54.000 -0.103 0.000 0.875 1076 D CB 0.721 41.491 40.800 -0.051 0.000 0.966 1076 D HN 0.302 nan 8.370 nan 0.000 0.512 1077 V N 0.434 120.235 119.914 -0.188 0.000 2.950 1077 V HA 0.322 4.442 4.120 -0.000 0.000 0.295 1077 V C -1.942 174.041 176.094 -0.185 0.000 1.297 1077 V CA -0.778 61.463 62.300 -0.098 0.000 0.962 1077 V CB 1.702 33.504 31.823 -0.036 0.000 1.081 1077 V HN -0.180 nan 8.190 nan 0.000 0.432 1078 F N 5.721 125.701 119.950 0.050 0.000 2.458 1078 F HA 0.682 5.209 4.527 -0.000 0.000 0.330 1078 F C 0.118 175.949 175.800 0.051 0.000 1.082 1078 F CA -0.706 57.314 58.000 0.032 0.000 0.995 1078 F CB 1.971 40.974 39.000 0.004 0.000 1.170 1078 F HN 0.271 nan 8.300 nan 0.000 0.478 1079 L N 4.221 125.566 121.223 0.204 0.000 2.295 1079 L HA 0.418 4.758 4.340 -0.000 0.000 0.281 1079 L C -0.980 175.933 176.870 0.071 0.000 1.018 1079 L CA -0.811 54.071 54.840 0.070 0.000 0.841 1079 L CB 1.283 43.294 42.059 -0.080 0.000 1.218 1079 L HN 0.288 nan 8.230 nan 0.000 0.424 1080 V N 2.614 122.605 119.914 0.128 0.000 2.372 1080 V HA 0.174 4.294 4.120 -0.000 0.000 0.261 1080 V C 0.245 176.390 176.094 0.084 0.000 1.055 1080 V CA -0.307 62.031 62.300 0.064 0.000 0.930 1080 V CB 0.744 32.645 31.823 0.130 0.000 1.031 1080 V HN 0.791 nan 8.190 nan 0.000 0.479 1081 C N 6.102 125.380 119.300 -0.036 0.000 2.365 1081 C HA 0.909 5.369 4.460 -0.000 0.000 0.349 1081 C C -0.185 174.865 174.990 0.101 0.000 1.191 1081 C CA -0.851 58.150 59.018 -0.029 0.000 2.114 1081 C CB 0.502 28.170 27.740 -0.121 0.000 2.367 1081 C HN 0.868 nan 8.230 nan 0.000 0.530 1082 F N -0.242 119.753 119.950 0.076 0.000 2.641 1082 F HA 0.640 5.167 4.527 -0.000 0.000 0.308 1082 F C -0.565 175.306 175.800 0.119 0.000 1.105 1082 F CA -0.780 57.300 58.000 0.134 0.000 0.964 1082 F CB 0.861 40.021 39.000 0.266 0.000 1.294 1082 F HN 0.456 nan 8.300 nan 0.000 0.442 1083 S N 1.809 117.605 115.700 0.161 0.000 2.513 1083 S HA 0.375 4.845 4.470 -0.000 0.000 0.276 1083 S C 1.050 175.760 174.600 0.183 0.000 1.254 1083 S CA -0.145 58.073 58.200 0.031 0.000 1.053 1083 S CB 1.149 64.392 63.200 0.072 0.000 0.958 1083 S HN 1.590 nan 8.310 nan 0.000 0.491 1084 V N 3.890 123.822 119.914 0.029 0.000 3.026 1084 V HA -0.006 4.114 4.120 -0.000 0.000 0.265 1084 V C 1.192 177.347 176.094 0.102 0.000 1.121 1084 V CA 1.717 64.114 62.300 0.162 0.000 1.142 1084 V CB -1.065 30.798 31.823 0.067 0.000 0.730 1084 V HN 0.957 nan 8.190 nan 0.000 0.503 1085 V N -2.399 117.562 119.914 0.079 0.000 3.121 1085 V HA 0.552 4.672 4.120 -0.000 0.000 0.344 1085 V C 0.536 176.675 176.094 0.075 0.000 1.390 1085 V CA 0.517 62.849 62.300 0.054 0.000 1.177 1085 V CB -0.204 31.635 31.823 0.028 0.000 1.163 1085 V HN 0.428 nan 8.190 nan 0.000 0.484 1086 S N 1.081 116.857 115.700 0.127 0.000 2.395 1086 S HA 0.558 5.028 4.470 -0.000 0.000 0.207 1086 S C -1.858 172.849 174.600 0.179 0.000 1.454 1086 S CA -0.850 57.434 58.200 0.140 0.000 1.211 1086 S CB 1.683 64.976 63.200 0.154 0.000 1.093 1086 S HN 0.255 nan 8.310 nan 0.000 0.472 1087 P HA -0.130 nan 4.420 nan 0.000 0.219 1087 P C 1.604 179.008 177.300 0.174 0.000 1.146 1087 P CA 1.204 64.385 63.100 0.135 0.000 0.808 1087 P CB 0.096 31.841 31.700 0.075 0.000 0.779 1088 S N -0.962 114.821 115.700 0.137 0.000 2.387 1088 S HA -0.122 4.348 4.470 -0.000 0.000 0.226 1088 S C 2.095 176.787 174.600 0.153 0.000 1.026 1088 S CA 1.327 59.596 58.200 0.115 0.000 0.972 1088 S CB -1.555 61.697 63.200 0.087 0.000 0.814 1088 S HN 0.246 nan 8.310 nan 0.000 0.477 1089 S N 1.118 116.947 115.700 0.215 0.000 2.402 1089 S HA -0.052 4.418 4.470 -0.000 0.000 0.229 1089 S C 1.592 176.382 174.600 0.316 0.000 1.021 1089 S CA 0.772 59.142 58.200 0.284 0.000 0.974 1089 S CB -0.955 62.432 63.200 0.312 0.000 0.800 1089 S HN 0.482 nan 8.310 nan 0.000 0.484 1090 F N 2.816 122.810 119.950 0.072 0.000 2.146 1090 F HA 0.102 4.629 4.527 -0.000 0.000 0.298 1090 F C 2.421 178.136 175.800 -0.142 0.000 1.096 1090 F CA 1.622 59.485 58.000 -0.228 0.000 1.275 1090 F CB -0.624 38.142 39.000 -0.389 0.000 1.008 1090 F HN 0.200 nan 8.300 nan 0.000 0.480 1091 E N 0.639 120.804 120.200 -0.059 0.000 2.110 1091 E HA -0.206 4.144 4.350 -0.000 0.000 0.193 1091 E C 1.858 178.372 176.600 -0.143 0.000 0.988 1091 E CA 1.506 57.820 56.400 -0.144 0.000 0.804 1091 E CB -0.549 29.135 29.700 -0.027 0.000 0.745 1091 E HN 0.300 nan 8.360 nan 0.000 0.458 1092 N N -0.350 118.330 118.700 -0.033 0.000 2.453 1092 N HA -0.090 4.650 4.740 -0.000 0.000 0.183 1092 N C 1.595 177.112 175.510 0.012 0.000 1.041 1092 N CA 0.657 53.687 53.050 -0.034 0.000 0.900 1092 N CB 0.063 38.600 38.487 0.084 0.000 0.961 1092 N HN 0.080 nan 8.380 nan 0.000 0.443 1093 V N 2.016 121.956 119.914 0.043 0.000 2.261 1093 V HA -0.242 3.878 4.120 -0.000 0.000 0.246 1093 V C 2.442 178.488 176.094 -0.080 0.000 1.047 1093 V CA 1.930 64.273 62.300 0.072 0.000 1.015 1093 V CB -0.364 31.406 31.823 -0.089 0.000 0.642 1093 V HN 0.472 nan 8.190 nan 0.000 0.446 1094 K N -0.204 120.070 120.400 -0.210 0.000 2.243 1094 K HA -0.109 4.211 4.320 -0.000 0.000 0.201 1094 K C 1.866 178.366 176.600 -0.166 0.000 1.051 1094 K CA 1.413 57.588 56.287 -0.187 0.000 0.970 1094 K CB -0.059 32.304 32.500 -0.228 0.000 0.755 1094 K HN 0.314 nan 8.250 nan 0.000 0.465 1095 E N 0.961 121.053 120.200 -0.180 0.000 2.230 1095 E HA -0.005 4.345 4.350 -0.000 0.000 0.192 1095 E C 1.536 177.997 176.600 -0.232 0.000 0.987 1095 E CA 0.946 57.238 56.400 -0.179 0.000 0.841 1095 E CB 0.389 29.992 29.700 -0.161 0.000 0.783 1095 E HN 0.391 nan 8.360 nan 0.000 0.481 1096 K N -1.974 118.231 120.400 -0.324 0.000 2.524 1096 K HA 0.048 4.368 4.320 -0.000 0.000 0.210 1096 K C 1.702 177.998 176.600 -0.507 0.000 1.340 1096 K CA 0.141 56.121 56.287 -0.511 0.000 0.880 1096 K CB -0.494 31.512 32.500 -0.822 0.000 1.616 1096 K HN 0.021 nan 8.250 nan 0.000 0.457 1097 W N 1.587 122.817 121.300 -0.118 0.000 2.353 1097 W HA -0.170 4.490 4.660 -0.000 0.000 0.319 1097 W C 2.047 178.386 176.519 -0.301 0.000 1.207 1097 W CA 0.648 57.890 57.345 -0.171 0.000 1.291 1097 W CB -0.624 28.752 29.460 -0.140 0.000 1.159 1097 W HN -0.119 nan 8.180 nan 0.000 0.478 1098 V N 1.049 120.886 119.914 -0.129 0.000 2.332 1098 V HA -0.239 3.881 4.120 -0.000 0.000 0.248 1098 V C -0.533 175.398 176.094 -0.270 0.000 1.055 1098 V CA 1.959 64.033 62.300 -0.377 0.000 1.038 1098 V CB -2.145 29.475 31.823 -0.339 0.000 0.651 1098 V HN 0.002 nan 8.190 nan 0.000 0.450 1099 P HA -0.199 nan 4.420 nan 0.000 0.215 1099 P C 1.721 178.980 177.300 -0.067 0.000 1.157 1099 P CA 1.751 64.781 63.100 -0.116 0.000 0.868 1099 P CB 0.058 31.684 31.700 -0.123 0.000 0.788 1100 E N 0.069 120.232 120.200 -0.061 0.000 2.031 1100 E HA -0.204 4.146 4.350 -0.000 0.000 0.193 1100 E C 1.798 178.450 176.600 0.086 0.000 0.994 1100 E CA 1.614 58.066 56.400 0.088 0.000 0.800 1100 E CB -0.559 29.200 29.700 0.098 0.000 0.752 1100 E HN 0.161 nan 8.360 nan 0.000 0.447 1101 I N -0.727 119.680 120.570 -0.272 0.000 2.546 1101 I HA -0.078 4.091 4.170 -0.000 0.000 0.255 1101 I C 2.132 178.046 176.117 -0.338 0.000 1.163 1101 I CA 1.249 62.159 61.300 -0.650 0.000 1.457 1101 I CB -0.814 36.313 38.000 -1.456 0.000 1.092 1101 I HN -0.077 nan 8.210 nan 0.000 0.434 1102 T N 0.032 114.451 114.554 -0.224 0.000 2.777 1102 T HA -0.198 4.152 4.350 -0.000 0.000 0.266 1102 T C 1.823 176.520 174.700 -0.006 0.000 1.040 1102 T CA 2.152 64.199 62.100 -0.089 0.000 1.141 1102 T CB -0.520 68.305 68.868 -0.071 0.000 0.868 1102 T HN 0.635 nan 8.240 nan 0.000 0.444 1103 H N 0.892 119.924 119.070 -0.063 0.000 2.293 1103 H HA -0.064 4.492 4.556 -0.000 0.000 0.300 1103 H C 2.251 177.523 175.328 -0.093 0.000 1.082 1103 H CA 1.851 57.848 56.048 -0.086 0.000 1.308 1103 H CB -0.358 29.328 29.762 -0.126 0.000 1.375 1103 H HN 0.440 nan 8.280 nan 0.000 0.495 1104 H N -1.342 117.651 119.070 -0.129 0.000 2.357 1104 H HA 0.048 4.604 4.556 -0.000 0.000 0.301 1104 H C 0.394 175.706 175.328 -0.027 0.000 1.082 1104 H CA 1.352 57.352 56.048 -0.078 0.000 1.342 1104 H CB -0.035 29.855 29.762 0.213 0.000 1.389 1104 H HN 0.291 nan 8.280 nan 0.000 0.511 1105 C N 1.920 121.285 119.300 0.107 0.000 3.003 1105 C HA 0.216 4.676 4.460 -0.000 0.000 0.241 1105 C C -1.315 173.727 174.990 0.086 0.000 1.224 1105 C CA -1.261 57.837 59.018 0.133 0.000 1.560 1105 C CB 0.932 28.857 27.740 0.308 0.000 1.768 1105 C HN 0.266 nan 8.230 nan 0.000 0.440 1106 P HA -0.141 nan 4.420 nan 0.000 0.215 1106 P C 1.262 178.603 177.300 0.069 0.000 1.153 1106 P CA 1.571 64.694 63.100 0.039 0.000 0.853 1106 P CB 0.169 31.874 31.700 0.008 0.000 0.788 1107 K N -1.706 118.734 120.400 0.066 0.000 2.426 1107 K HA 0.092 4.412 4.320 -0.000 0.000 0.193 1107 K C 0.199 176.852 176.600 0.090 0.000 1.028 1107 K CA 0.412 56.738 56.287 0.066 0.000 1.047 1107 K CB -0.251 32.276 32.500 0.045 0.000 0.821 1107 K HN 0.105 nan 8.250 nan 0.000 0.513 1108 T N 4.426 119.061 114.554 0.136 0.000 2.749 1108 T HA 0.149 4.499 4.350 -0.000 0.000 0.295 1108 T C -2.209 172.639 174.700 0.246 0.000 0.936 1108 T CA -1.376 60.832 62.100 0.180 0.000 1.060 1108 T CB 1.039 70.064 68.868 0.261 0.000 0.904 1108 T HN 0.080 nan 8.240 nan 0.000 0.500 1109 P HA 0.372 nan 4.420 nan 0.000 0.274 1109 P C -0.931 176.526 177.300 0.261 0.000 1.231 1109 P CA -0.449 62.730 63.100 0.131 0.000 0.790 1109 P CB 0.527 32.240 31.700 0.022 0.000 0.951 1110 F N -0.284 119.720 119.950 0.089 0.000 2.613 1110 F HA 0.678 5.205 4.527 -0.000 0.000 0.310 1110 F C -1.797 174.036 175.800 0.055 0.000 1.085 1110 F CA -1.409 56.656 58.000 0.109 0.000 0.945 1110 F CB 1.027 40.099 39.000 0.119 0.000 1.298 1110 F HN 0.045 nan 8.300 nan 0.000 0.455 1111 L N 2.660 123.972 121.223 0.149 0.000 2.330 1111 L HA 0.578 4.918 4.340 -0.000 0.000 0.271 1111 L C -1.125 175.876 176.870 0.219 0.000 1.013 1111 L CA -1.288 53.566 54.840 0.025 0.000 0.816 1111 L CB 1.965 43.993 42.059 -0.053 0.000 1.287 1111 L HN 0.670 nan 8.230 nan 0.000 0.435 1112 L N 2.503 123.857 121.223 0.218 0.000 2.275 1112 L HA 0.477 4.817 4.340 -0.000 0.000 0.288 1112 L C -0.657 176.367 176.870 0.257 0.000 1.046 1112 L CA -0.067 55.014 54.840 0.401 0.000 0.805 1112 L CB 1.501 43.899 42.059 0.565 0.000 1.193 1112 L HN 0.220 nan 8.230 nan 0.000 0.426 1113 V N 4.563 124.573 119.914 0.159 0.000 2.407 1113 V HA 0.627 4.747 4.120 -0.000 0.000 0.291 1113 V C 0.529 176.431 176.094 -0.320 0.000 1.018 1113 V CA -0.644 61.574 62.300 -0.136 0.000 0.842 1113 V CB 1.308 33.011 31.823 -0.201 0.000 0.996 1113 V HN 0.845 nan 8.190 nan 0.000 0.426 1114 G N 2.836 111.380 108.800 -0.427 0.000 2.356 1114 G HA2 0.621 4.581 3.960 -0.000 0.000 0.298 1114 G HA3 0.621 4.581 3.960 -0.000 0.000 0.298 1114 G C 0.034 174.645 174.900 -0.481 0.000 1.145 1114 G CA 0.018 44.627 45.100 -0.819 0.000 0.850 1114 G HN 0.791 nan 8.290 nan 0.000 0.487 1115 T N -0.806 113.476 114.554 -0.452 0.000 2.910 1115 T HA 0.506 4.856 4.350 -0.000 0.000 0.287 1115 T C 0.222 174.829 174.700 -0.154 0.000 1.050 1115 T CA -0.510 61.447 62.100 -0.238 0.000 1.011 1115 T CB 1.495 70.253 68.868 -0.183 0.000 1.195 1115 T HN 0.674 nan 8.240 nan 0.000 0.540 1116 Q N 0.014 119.750 119.800 -0.107 0.000 2.468 1116 Q HA -0.178 4.162 4.340 -0.000 0.000 0.289 1116 Q C 1.121 177.080 176.000 -0.068 0.000 1.299 1116 Q CA 0.689 56.445 55.803 -0.078 0.000 0.838 1116 Q CB -1.900 26.808 28.738 -0.050 0.000 1.195 1116 Q HN 0.830 nan 8.270 nan 0.000 0.456 1117 I N -2.227 118.297 120.570 -0.076 0.000 2.567 1117 I HA -0.210 3.960 4.170 -0.000 0.000 0.257 1117 I C 1.852 177.940 176.117 -0.048 0.000 1.184 1117 I CA 1.721 62.989 61.300 -0.053 0.000 1.451 1117 I CB -0.418 37.551 38.000 -0.052 0.000 1.089 1117 I HN 0.226 nan 8.210 nan 0.000 0.441 1118 D N 2.115 122.476 120.400 -0.065 0.000 2.263 1118 D HA -0.193 4.447 4.640 -0.000 0.000 0.208 1118 D C 1.965 178.234 176.300 -0.052 0.000 0.971 1118 D CA 1.108 55.069 54.000 -0.066 0.000 0.867 1118 D CB -0.357 40.385 40.800 -0.097 0.000 0.929 1118 D HN 0.508 nan 8.370 nan 0.000 0.492 1119 L N -0.239 120.957 121.223 -0.045 0.000 2.558 1119 L HA 0.135 4.475 4.340 -0.000 0.000 0.225 1119 L C 2.723 179.581 176.870 -0.019 0.000 1.128 1119 L CA -0.187 54.635 54.840 -0.030 0.000 0.868 1119 L CB -0.096 41.949 42.059 -0.024 0.000 1.006 1119 L HN -0.118 nan 8.230 nan 0.000 0.454 1120 R N 0.920 121.408 120.500 -0.019 0.000 2.091 1120 R HA -0.171 4.169 4.340 -0.000 0.000 0.238 1120 R C 0.945 177.238 176.300 -0.012 0.000 1.136 1120 R CA 1.772 57.865 56.100 -0.012 0.000 0.959 1120 R CB -0.120 30.174 30.300 -0.011 0.000 0.856 1120 R HN 0.487 nan 8.270 nan 0.000 0.437 1121 D N -0.705 119.686 120.400 -0.015 0.000 2.525 1121 D HA -0.013 4.627 4.640 -0.000 0.000 0.229 1121 D C -0.616 175.677 176.300 -0.012 0.000 1.202 1121 D CA -0.267 53.725 54.000 -0.013 0.000 0.828 1121 D CB -0.201 40.591 40.800 -0.013 0.000 1.008 1121 D HN -0.022 nan 8.370 nan 0.000 0.493 1122 D N 0.841 121.234 120.400 -0.012 0.000 2.256 1122 D HA 0.166 4.806 4.640 -0.000 0.000 0.250 1122 D C -1.574 174.723 176.300 -0.006 0.000 1.093 1122 D CA -1.892 52.102 54.000 -0.011 0.000 0.882 1122 D CB 2.163 42.955 40.800 -0.012 0.000 1.185 1122 D HN -0.203 nan 8.370 nan 0.000 0.437 1123 P HA -0.133 nan 4.420 nan 0.000 0.211 1123 P C 1.157 178.457 177.300 0.000 0.000 1.179 1123 P CA 1.205 64.303 63.100 -0.002 0.000 0.910 1123 P CB 0.127 31.826 31.700 -0.002 0.000 0.785 1124 S N -0.732 114.969 115.700 0.001 0.000 2.365 1124 S HA -0.184 4.286 4.470 -0.000 0.000 0.225 1124 S C 1.977 176.580 174.600 0.005 0.000 1.039 1124 S CA 2.141 60.343 58.200 0.004 0.000 1.033 1124 S CB -1.722 61.481 63.200 0.006 0.000 0.887 1124 S HN 0.289 nan 8.310 nan 0.000 0.447 1125 T N 2.772 117.328 114.554 0.004 0.000 2.674 1125 T HA 0.000 4.350 4.350 -0.000 0.000 0.265 1125 T C 1.802 176.505 174.700 0.005 0.000 1.039 1125 T CA 1.379 63.483 62.100 0.006 0.000 1.150 1125 T CB -0.540 68.329 68.868 0.003 0.000 0.864 1125 T HN 0.325 nan 8.240 nan 0.000 0.427 1126 I N 1.041 121.612 120.570 0.001 0.000 2.208 1126 I HA -0.208 3.962 4.170 -0.000 0.000 0.245 1126 I C 2.678 178.796 176.117 0.002 0.000 1.097 1126 I CA 1.360 62.660 61.300 0.000 0.000 1.363 1126 I CB -0.443 37.555 38.000 -0.002 0.000 1.051 1126 I HN 0.249 nan 8.210 nan 0.000 0.413 1127 E N 2.081 122.283 120.200 0.003 0.000 2.007 1127 E HA -0.315 4.035 4.350 -0.000 0.000 0.203 1127 E C 2.111 178.715 176.600 0.006 0.000 1.020 1127 E CA 2.128 58.531 56.400 0.004 0.000 0.845 1127 E CB -0.377 29.326 29.700 0.005 0.000 0.779 1127 E HN 0.283 nan 8.360 nan 0.000 0.466 1128 K N -0.090 120.315 120.400 0.009 0.000 2.077 1128 K HA -0.239 4.081 4.320 -0.000 0.000 0.213 1128 K C 2.342 178.949 176.600 0.012 0.000 1.051 1128 K CA 2.108 58.402 56.287 0.011 0.000 0.929 1128 K CB -0.461 32.048 32.500 0.014 0.000 0.715 1128 K HN 0.279 nan 8.250 nan 0.000 0.451 1129 L N 0.260 121.490 121.223 0.011 0.000 1.976 1129 L HA -0.189 4.151 4.340 -0.000 0.000 0.209 1129 L C 2.749 179.624 176.870 0.008 0.000 1.071 1129 L CA 1.417 56.264 54.840 0.011 0.000 0.746 1129 L CB -0.738 41.327 42.059 0.009 0.000 0.890 1129 L HN 0.358 nan 8.230 nan 0.000 0.432 1130 A N -0.173 122.649 122.820 0.004 0.000 1.986 1130 A HA -0.276 4.044 4.320 -0.000 0.000 0.220 1130 A C 2.263 179.850 177.584 0.004 0.000 1.171 1130 A CA 1.814 53.853 52.037 0.002 0.000 0.640 1130 A CB -0.607 18.393 19.000 0.001 0.000 0.811 1130 A HN 0.345 nan 8.150 nan 0.000 0.451 1131 K N -0.329 120.074 120.400 0.005 0.000 2.633 1131 K HA -0.089 4.231 4.320 -0.000 0.000 0.193 1131 K C -0.331 176.273 176.600 0.007 0.000 1.033 1131 K CA 0.859 57.150 56.287 0.006 0.000 0.980 1131 K CB -0.194 32.310 32.500 0.007 0.000 0.800 1131 K HN 0.483 nan 8.250 nan 0.000 0.493 1132 N N 0.659 119.363 118.700 0.007 0.000 2.471 1132 N HA 0.031 4.771 4.740 -0.000 0.000 0.270 1132 N C -1.065 174.449 175.510 0.006 0.000 1.490 1132 N CA -0.141 52.913 53.050 0.008 0.000 0.850 1132 N CB 1.017 39.511 38.487 0.011 0.000 1.411 1132 N HN -0.055 nan 8.380 nan 0.000 0.488 1133 K N 0.599 121.001 120.400 0.004 0.000 3.071 1133 K HA -0.210 4.110 4.320 -0.000 0.000 0.265 1133 K C -0.505 176.096 176.600 0.002 0.000 1.060 1133 K CA 0.904 57.192 56.287 0.002 0.000 0.767 1133 K CB -1.390 31.111 32.500 0.002 0.000 1.241 1133 K HN 0.510 nan 8.250 nan 0.000 0.486 1134 Q N -0.217 119.584 119.800 0.002 0.000 2.423 1134 Q HA 0.588 4.928 4.340 -0.000 0.000 0.278 1134 Q C -0.782 175.215 176.000 -0.004 0.000 1.097 1134 Q CA -1.159 54.645 55.803 0.001 0.000 0.809 1134 Q CB 2.351 31.095 28.738 0.009 0.000 1.391 1134 Q HN 0.240 nan 8.270 nan 0.000 0.428 1135 K N -0.443 119.949 120.400 -0.013 0.000 2.512 1135 K HA 0.691 5.011 4.320 -0.000 0.000 0.263 1135 K C -2.936 173.647 176.600 -0.029 0.000 0.966 1135 K CA -1.975 54.301 56.287 -0.018 0.000 0.851 1135 K CB 1.177 33.663 32.500 -0.023 0.000 1.395 1135 K HN 0.154 nan 8.250 nan 0.000 0.440 1136 P HA 0.015 nan 4.420 nan 0.000 0.271 1136 P C -0.732 176.523 177.300 -0.075 0.000 1.233 1136 P CA -0.237 62.845 63.100 -0.029 0.000 0.795 1136 P CB 0.262 31.953 31.700 -0.015 0.000 0.936 1137 I N 0.247 120.755 120.570 -0.103 0.000 2.365 1137 I HA 0.182 4.352 4.170 -0.000 0.000 0.291 1137 I C 0.979 177.019 176.117 -0.128 0.000 1.004 1137 I CA 0.219 61.379 61.300 -0.233 0.000 1.311 1137 I CB 0.548 38.250 38.000 -0.497 0.000 1.401 1137 I HN 0.304 nan 8.210 nan 0.000 0.491 1138 T N 3.229 117.697 114.554 -0.142 0.000 2.913 1138 T HA 0.350 4.700 4.350 -0.000 0.000 0.287 1138 T C -1.952 172.700 174.700 -0.080 0.000 1.008 1138 T CA -1.697 60.357 62.100 -0.076 0.000 1.067 1138 T CB 1.276 70.105 68.868 -0.065 0.000 0.996 1138 T HN 0.330 nan 8.240 nan 0.000 0.513 1139 P HA -0.091 nan 4.420 nan 0.000 0.217 1139 P C 1.156 178.412 177.300 -0.073 0.000 1.148 1139 P CA 1.010 64.132 63.100 0.035 0.000 0.828 1139 P CB 0.096 31.869 31.700 0.123 0.000 0.783 1140 E N -1.136 119.033 120.200 -0.052 0.000 2.051 1140 E HA -0.128 4.222 4.350 -0.000 0.000 0.192 1140 E C 2.026 178.573 176.600 -0.088 0.000 0.991 1140 E CA 1.664 58.032 56.400 -0.052 0.000 0.799 1140 E CB -1.585 28.096 29.700 -0.033 0.000 0.748 1140 E HN 0.211 nan 8.360 nan 0.000 0.449 1141 T N 0.786 115.272 114.554 -0.113 0.000 2.652 1141 T HA -0.210 4.140 4.350 -0.000 0.000 0.267 1141 T C 1.984 176.621 174.700 -0.106 0.000 1.039 1141 T CA 1.604 63.640 62.100 -0.107 0.000 1.153 1141 T CB -0.540 68.221 68.868 -0.179 0.000 0.863 1141 T HN 0.298 nan 8.240 nan 0.000 0.428 1142 A N 1.570 124.227 122.820 -0.271 0.000 1.908 1142 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 1142 A C 2.223 179.563 177.584 -0.408 0.000 1.181 1142 A CA 1.771 53.567 52.037 -0.402 0.000 0.627 1142 A CB -0.629 17.776 19.000 -0.993 0.000 0.818 1142 A HN 0.591 nan 8.150 nan 0.000 0.445 1143 E N -0.608 119.374 120.200 -0.363 0.000 2.110 1143 E HA -0.208 4.142 4.350 -0.000 0.000 0.193 1143 E C 2.095 178.674 176.600 -0.036 0.000 0.988 1143 E CA 1.344 57.678 56.400 -0.110 0.000 0.804 1143 E CB -0.111 29.581 29.700 -0.014 0.000 0.745 1143 E HN 0.675 nan 8.360 nan 0.000 0.458 1144 K N 0.826 121.202 120.400 -0.041 0.000 2.025 1144 K HA -0.170 4.150 4.320 -0.000 0.000 0.207 1144 K C 2.230 178.830 176.600 0.001 0.000 1.049 1144 K CA 0.789 57.069 56.287 -0.011 0.000 0.933 1144 K CB -0.088 32.407 32.500 -0.009 0.000 0.714 1144 K HN 0.031 nan 8.250 nan 0.000 0.438 1145 L N 1.153 122.382 121.223 0.010 0.000 2.079 1145 L HA -0.111 4.229 4.340 -0.000 0.000 0.210 1145 L C 2.160 179.048 176.870 0.030 0.000 1.081 1145 L CA 2.030 56.872 54.840 0.002 0.000 0.752 1145 L CB -0.683 41.364 42.059 -0.020 0.000 0.896 1145 L HN 0.250 nan 8.230 nan 0.000 0.433 1146 A N -0.334 122.517 122.820 0.052 0.000 1.877 1146 A HA -0.217 4.103 4.320 -0.000 0.000 0.216 1146 A C 2.410 180.015 177.584 0.035 0.000 1.186 1146 A CA 1.816 53.904 52.037 0.085 0.000 0.620 1146 A CB -0.530 18.549 19.000 0.131 0.000 0.822 1146 A HN 0.506 nan 8.150 nan 0.000 0.443 1147 R N -0.367 120.146 120.500 0.021 0.000 2.081 1147 R HA -0.119 4.221 4.340 -0.000 0.000 0.235 1147 R C 1.583 177.889 176.300 0.010 0.000 1.131 1147 R CA 1.488 57.591 56.100 0.006 0.000 0.960 1147 R CB -0.441 29.862 30.300 0.005 0.000 0.856 1147 R HN 0.481 nan 8.270 nan 0.000 0.436 1148 D N 0.734 121.143 120.400 0.014 0.000 2.117 1148 D HA -0.094 4.546 4.640 -0.000 0.000 0.198 1148 D C 1.787 178.107 176.300 0.034 0.000 0.982 1148 D CA 1.048 55.056 54.000 0.014 0.000 0.828 1148 D CB -0.045 40.755 40.800 -0.000 0.000 0.967 1148 D HN 0.184 nan 8.370 nan 0.000 0.464 1149 L N 0.195 121.458 121.223 0.066 0.000 2.599 1149 L HA 0.041 4.381 4.340 -0.000 0.000 0.230 1149 L C 0.198 177.187 176.870 0.198 0.000 1.141 1149 L CA 0.145 55.071 54.840 0.143 0.000 0.877 1149 L CB -0.067 42.121 42.059 0.214 0.000 1.009 1149 L HN -0.102 nan 8.230 nan 0.000 0.447 1150 K N -1.068 119.375 120.400 0.071 0.000 3.251 1150 K HA -0.131 4.189 4.320 -0.000 0.000 0.282 1150 K C 0.152 176.613 176.600 -0.233 0.000 1.201 1150 K CA 0.834 57.114 56.287 -0.011 0.000 0.827 1150 K CB -2.231 30.300 32.500 0.051 0.000 1.286 1150 K HN 0.283 nan 8.250 nan 0.000 0.503 1151 A N 0.437 123.047 122.820 -0.349 0.000 2.401 1151 A HA 0.388 4.708 4.320 -0.000 0.000 0.259 1151 A C 1.806 179.121 177.584 -0.449 0.000 1.103 1151 A CA 0.044 51.570 52.037 -0.852 0.000 0.789 1151 A CB 0.673 19.427 19.000 -0.410 0.000 1.035 1151 A HN 0.042 nan 8.150 nan 0.000 0.491 1152 V N 1.682 121.316 119.914 -0.467 0.000 2.439 1152 V HA -0.137 3.983 4.120 -0.000 0.000 0.253 1152 V C 1.133 177.140 176.094 -0.145 0.000 1.074 1152 V CA 2.591 64.751 62.300 -0.232 0.000 1.076 1152 V CB -1.103 30.609 31.823 -0.185 0.000 0.664 1152 V HN 1.007 nan 8.190 nan 0.000 0.461 1153 K N -2.235 118.087 120.400 -0.130 0.000 2.931 1153 K HA 0.169 4.489 4.320 -0.000 0.000 0.292 1153 K C -2.060 174.567 176.600 0.045 0.000 1.077 1153 K CA -0.737 55.531 56.287 -0.032 0.000 0.829 1153 K CB 0.945 33.417 32.500 -0.047 0.000 1.488 1153 K HN -0.121 nan 8.250 nan 0.000 0.358 1154 Y N 1.960 122.248 120.300 -0.021 0.000 2.364 1154 Y HA 0.576 5.126 4.550 -0.000 0.000 0.340 1154 Y C -1.166 174.731 175.900 -0.005 0.000 0.975 1154 Y CA -0.319 57.794 58.100 0.022 0.000 1.089 1154 Y CB 1.552 40.057 38.460 0.075 0.000 1.192 1154 Y HN 0.439 nan 8.280 nan 0.000 0.454 1155 V N 3.082 122.479 119.914 -0.861 0.000 3.007 1155 V HA 0.792 4.912 4.120 -0.000 0.000 0.311 1155 V C -1.301 174.232 176.094 -0.936 0.000 1.120 1155 V CA -0.993 60.872 62.300 -0.726 0.000 0.980 1155 V CB 1.780 33.369 31.823 -0.389 0.000 1.033 1155 V HN 0.887 nan 8.190 nan 0.000 0.429 1156 E N 1.959 121.804 120.200 -0.591 0.000 2.408 1156 E HA 0.858 5.208 4.350 -0.000 0.000 0.275 1156 E C -0.795 175.665 176.600 -0.234 0.000 0.935 1156 E CA -0.648 55.512 56.400 -0.399 0.000 0.775 1156 E CB 2.342 31.901 29.700 -0.235 0.000 1.277 1156 E HN 1.460 nan 8.360 nan 0.000 0.455 1157 C N -0.432 118.755 119.300 -0.189 0.000 3.276 1157 C HA 0.894 5.354 4.460 -0.000 0.000 0.370 1157 C C -1.036 173.891 174.990 -0.105 0.000 1.624 1157 C CA -0.545 58.397 59.018 -0.127 0.000 1.179 1157 C CB 1.164 28.834 27.740 -0.117 0.000 1.909 1157 C HN 0.724 nan 8.230 nan 0.000 0.434 1158 S N -0.494 115.159 115.700 -0.079 0.000 2.736 1158 S HA 0.638 5.108 4.470 -0.000 0.000 0.285 1158 S C 0.531 175.088 174.600 -0.072 0.000 1.163 1158 S CA 0.356 58.503 58.200 -0.089 0.000 1.025 1158 S CB 1.333 64.474 63.200 -0.099 0.000 1.030 1158 S HN 2.027 nan 8.310 nan 0.000 0.486 1159 A N 5.417 128.201 122.820 -0.059 0.000 1.969 1159 A HA 0.061 4.381 4.320 -0.000 0.000 0.218 1159 A C 1.966 179.490 177.584 -0.099 0.000 1.169 1159 A CA 0.879 52.931 52.037 0.025 0.000 0.635 1159 A CB -0.500 18.581 19.000 0.136 0.000 0.810 1159 A HN 0.790 nan 8.150 nan 0.000 0.445 1160 L N 0.519 121.479 121.223 -0.438 0.000 1.988 1160 L HA -0.125 4.215 4.340 -0.000 0.000 0.207 1160 L C 2.613 179.267 176.870 -0.360 0.000 1.071 1160 L CA 3.003 57.333 54.840 -0.850 0.000 0.744 1160 L CB -1.345 40.257 42.059 -0.762 0.000 0.893 1160 L HN 0.592 nan 8.230 nan 0.000 0.433 1161 T N -3.842 110.589 114.554 -0.205 0.000 3.054 1161 T HA -0.024 4.326 4.350 -0.000 0.000 0.259 1161 T C 1.153 175.827 174.700 -0.043 0.000 1.092 1161 T CA 0.602 62.640 62.100 -0.103 0.000 1.121 1161 T CB 0.105 68.923 68.868 -0.083 0.000 0.912 1161 T HN 0.543 nan 8.240 nan 0.000 0.489 1162 Q N -0.348 119.434 119.800 -0.030 0.000 2.385 1162 Q HA -0.155 4.184 4.340 -0.000 0.000 0.215 1162 Q C -0.029 175.981 176.000 0.017 0.000 0.671 1162 Q CA 0.753 56.569 55.803 0.023 0.000 1.335 1162 Q CB -1.525 27.243 28.738 0.049 0.000 1.425 1162 Q HN 0.705 nan 8.270 nan 0.000 0.781 1163 K N 0.530 120.922 120.400 -0.014 0.000 2.412 1163 K HA 0.196 4.516 4.320 -0.000 0.000 0.284 1163 K C 1.228 177.813 176.600 -0.024 0.000 1.046 1163 K CA 1.271 57.547 56.287 -0.017 0.000 0.999 1163 K CB 0.063 32.545 32.500 -0.031 0.000 0.941 1163 K HN 0.356 nan 8.250 nan 0.000 0.474 1164 G N 3.618 112.409 108.800 -0.015 0.000 2.212 1164 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.266 1164 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.266 1164 G C 0.563 175.446 174.900 -0.028 0.000 0.978 1164 G CA 0.405 45.483 45.100 -0.036 0.000 0.632 1164 G HN 0.629 nan 8.290 nan 0.000 0.537 1165 L N 0.910 122.147 121.223 0.023 0.000 1.971 1165 L HA 0.025 4.365 4.340 -0.000 0.000 0.215 1165 L C 2.793 179.756 176.870 0.154 0.000 1.072 1165 L CA 3.091 57.983 54.840 0.087 0.000 0.758 1165 L CB -0.497 41.658 42.059 0.160 0.000 0.889 1165 L HN 0.233 nan 8.230 nan 0.000 0.433 1166 K N -0.243 120.286 120.400 0.215 0.000 2.074 1166 K HA -0.247 4.073 4.320 -0.000 0.000 0.209 1166 K C 2.057 178.747 176.600 0.150 0.000 1.048 1166 K CA 1.710 58.172 56.287 0.291 0.000 0.926 1166 K CB -1.097 31.547 32.500 0.240 0.000 0.713 1166 K HN 0.575 nan 8.250 nan 0.000 0.444 1167 N N 1.161 119.893 118.700 0.052 0.000 2.149 1167 N HA -0.145 4.595 4.740 -0.000 0.000 0.188 1167 N C 1.792 177.241 175.510 -0.102 0.000 1.019 1167 N CA 1.129 54.170 53.050 -0.015 0.000 0.857 1167 N CB 0.131 38.595 38.487 -0.038 0.000 0.997 1167 N HN -0.101 nan 8.380 nan 0.000 0.426 1168 V N 0.838 120.638 119.914 -0.191 0.000 2.252 1168 V HA -0.253 3.867 4.120 -0.000 0.000 0.249 1168 V C 1.881 177.667 176.094 -0.514 0.000 1.056 1168 V CA 1.849 63.905 62.300 -0.406 0.000 1.022 1168 V CB -0.811 30.653 31.823 -0.599 0.000 0.641 1168 V HN 0.245 nan 8.190 nan 0.000 0.445 1169 F N -0.012 119.765 119.950 -0.288 0.000 2.325 1169 F HA -0.078 4.449 4.527 -0.000 0.000 0.299 1169 F C 2.260 177.990 175.800 -0.117 0.000 1.090 1169 F CA 1.227 59.059 58.000 -0.279 0.000 1.392 1169 F CB -0.477 38.155 39.000 -0.612 0.000 1.053 1169 F HN 0.195 nan 8.300 nan 0.000 0.521 1170 D N 0.223 120.656 120.400 0.055 0.000 2.117 1170 D HA -0.129 4.511 4.640 -0.000 0.000 0.198 1170 D C 2.137 178.415 176.300 -0.037 0.000 0.982 1170 D CA 1.017 55.041 54.000 0.040 0.000 0.828 1170 D CB -0.288 40.538 40.800 0.043 0.000 0.967 1170 D HN 0.211 nan 8.370 nan 0.000 0.464 1171 E N 0.836 120.988 120.200 -0.080 0.000 2.160 1171 E HA -0.128 4.222 4.350 -0.000 0.000 0.195 1171 E C 2.040 178.573 176.600 -0.111 0.000 0.991 1171 E CA 0.712 57.050 56.400 -0.104 0.000 0.810 1171 E CB -0.182 29.437 29.700 -0.134 0.000 0.742 1171 E HN 0.213 nan 8.360 nan 0.000 0.466 1172 A N 0.999 123.742 122.820 -0.127 0.000 1.898 1172 A HA -0.131 4.189 4.320 -0.000 0.000 0.216 1172 A C 2.313 179.860 177.584 -0.062 0.000 1.181 1172 A CA 1.023 52.999 52.037 -0.101 0.000 0.620 1172 A CB -0.548 18.382 19.000 -0.116 0.000 0.819 1172 A HN 0.168 nan 8.150 nan 0.000 0.442 1173 I N -0.368 120.172 120.570 -0.052 0.000 2.202 1173 I HA -0.246 3.924 4.170 -0.000 0.000 0.242 1173 I C 2.392 178.410 176.117 -0.166 0.000 1.091 1173 I CA 1.072 62.315 61.300 -0.096 0.000 1.368 1173 I CB -0.416 37.519 38.000 -0.109 0.000 1.058 1173 I HN 0.271 nan 8.210 nan 0.000 0.410 1174 L N 0.701 121.835 121.223 -0.149 0.000 2.012 1174 L HA -0.228 4.112 4.340 -0.000 0.000 0.210 1174 L C 2.873 179.678 176.870 -0.107 0.000 1.073 1174 L CA 1.515 56.270 54.840 -0.142 0.000 0.748 1174 L CB -0.799 41.199 42.059 -0.103 0.000 0.891 1174 L HN 0.261 nan 8.230 nan 0.000 0.431 1175 A N -0.101 122.665 122.820 -0.090 0.000 1.972 1175 A HA -0.145 4.175 4.320 -0.000 0.000 0.219 1175 A C 2.451 180.000 177.584 -0.058 0.000 1.169 1175 A CA 1.658 53.651 52.037 -0.073 0.000 0.635 1175 A CB -0.619 18.336 19.000 -0.074 0.000 0.810 1175 A HN 0.425 nan 8.150 nan 0.000 0.446 1176 A N -1.370 121.412 122.820 -0.063 0.000 2.066 1176 A HA 0.340 4.660 4.320 -0.000 0.000 0.218 1176 A C 0.966 178.522 177.584 -0.046 0.000 1.157 1176 A CA 0.573 52.582 52.037 -0.046 0.000 0.670 1176 A CB -0.285 18.690 19.000 -0.041 0.000 0.804 1176 A HN 0.366 nan 8.150 nan 0.000 0.453 1177 L N 0.000 121.179 121.223 -0.074 0.000 2.949 1177 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 1177 L CA 0.000 54.803 54.840 -0.062 0.000 0.813 1177 L CB 0.000 41.989 42.059 -0.116 0.000 0.961 1177 L HN 0.000 nan 8.230 nan 0.000 0.502