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 1ld4_1_M DATA FIRST_RESID 1001 DATA SEQUENCE YEHATTVPNV PQIPYKALVE RAGYAPLNLE ITVMSSEVLP STNQEYITCK DATA SEQUENCE FTTVVPSPKI KCcGSLECQP AAHADYTCKV FGGVYPFMWG GAQCFcDSEN DATA SEQUENCE SQMSEAYVEL SADCASDHAQ AIKVHTAAMK VGLRIVYGNT TSFLDVYVNG DATA SEQUENCE VTPGTSKDLK VIAGPISASF TPFDHKVVIH RGLVYNYDFP EYGAMKPGAF DATA SEQUENCE GDIQATSLTS KDLIASTDIR LLKPSAKNVH VPYTQASSGF EMWKNNSGRP DATA SEQUENCE LQETAPFGcK IAVNPLRAVD cSYGNIPISI DIPNAAFIRT SDAPLVSTVK DATA SEQUENCE CEVSECTYSX XXXXMATLQY VSDREGQCPV HSHSSTATLQ ESTVHXXXXX DATA SEQUENCE XVTVHFSTAS PQANFIVSLC GKKTTCNAEC 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 Y HA 0.000 nan 4.550 nan 0.000 0.201 1001 Y C 0.000 nan 175.900 nan 0.000 1.272 1001 Y CA 0.000 58.141 58.100 0.069 0.000 1.940 1001 Y CB 0.000 nan 38.460 nan 0.000 1.050 1002 E N 1.668 121.640 120.200 -0.381 0.000 0.000 1002 E HA 0.547 4.897 4.350 0.000 0.000 0.000 1002 E C -1.723 174.629 176.600 -0.413 0.000 0.000 1002 E CA -0.025 56.203 56.400 -0.286 0.000 0.000 1002 E CB -0.201 nan 29.700 nan 0.000 0.000 1002 E HN 1.321 nan 8.360 nan 0.000 0.000 1003 H N -0.367 118.714 119.070 0.017 0.000 2.855 1003 H HA 0.967 5.523 4.556 0.000 0.000 0.363 1003 H C -0.330 175.006 175.328 0.012 0.000 1.185 1003 H CA -0.626 55.435 56.048 0.020 0.000 1.174 1003 H CB 2.249 32.029 29.762 0.030 0.000 1.857 1003 H HN 1.298 nan 8.280 nan 0.000 0.565 1004 A N 1.334 124.251 122.820 0.161 0.000 2.498 1004 A HA 0.430 4.750 4.320 0.000 0.000 0.305 1004 A C -1.015 176.601 177.584 0.054 0.000 1.031 1004 A CA -0.526 51.559 52.037 0.080 0.000 0.998 1004 A CB 0.579 19.608 19.000 0.048 0.000 1.429 1004 A HN 0.525 nan 8.150 nan 0.000 0.387 1005 T N 1.925 116.498 114.554 0.032 0.000 2.876 1005 T HA 0.626 4.976 4.350 0.000 0.000 0.289 1005 T C 0.139 174.825 174.700 -0.025 0.000 1.014 1005 T CA -0.309 61.793 62.100 0.004 0.000 0.986 1005 T CB 1.588 70.454 68.868 -0.004 0.000 1.021 1005 T HN 0.624 nan 8.240 nan 0.000 0.458 1006 T N 2.503 117.035 114.554 -0.037 0.000 2.870 1006 T HA 0.434 4.784 4.350 0.000 0.000 0.300 1006 T C -0.227 174.396 174.700 -0.130 0.000 0.989 1006 T CA -0.339 61.723 62.100 -0.064 0.000 1.139 1006 T CB 0.306 69.147 68.868 -0.044 0.000 0.920 1006 T HN 0.348 nan 8.240 nan 0.000 0.537 1007 V N 7.183 126.982 119.914 -0.191 0.000 2.488 1007 V HA 0.331 4.451 4.120 0.000 0.000 0.293 1007 V C -1.984 173.883 176.094 -0.378 0.000 1.027 1007 V CA -1.890 60.165 62.300 -0.408 0.000 0.862 1007 V CB 1.717 33.281 31.823 -0.431 0.000 1.008 1007 V HN 0.709 nan 8.190 nan 0.000 0.428 1008 P HA 0.137 nan 4.420 nan 0.000 0.280 1008 P C -0.689 176.557 177.300 -0.089 0.000 1.278 1008 P CA -0.310 62.697 63.100 -0.155 0.000 0.787 1008 P CB 0.834 32.516 31.700 -0.030 0.000 1.163 1009 N N -0.679 118.030 118.700 0.015 0.000 3.112 1009 N HA 0.331 5.071 4.740 0.000 0.000 0.270 1009 N C -1.234 174.311 175.510 0.058 0.000 1.385 1009 N CA -0.200 52.876 53.050 0.044 0.000 0.986 1009 N CB 0.061 38.571 38.487 0.040 0.000 1.261 1009 N HN 0.056 nan 8.380 nan 0.000 0.495 1010 V N 2.339 122.340 119.914 0.146 0.000 2.509 1010 V HA 0.388 4.508 4.120 0.000 0.000 0.289 1010 V C -2.142 173.993 176.094 0.068 0.000 1.026 1010 V CA -1.536 60.817 62.300 0.088 0.000 0.872 1010 V CB 2.367 34.241 31.823 0.086 0.000 1.017 1010 V HN 0.271 nan 8.190 nan 0.000 0.436 1011 P HA 0.083 nan 4.420 nan 0.000 0.270 1011 P C 0.156 177.419 177.300 -0.061 0.000 1.227 1011 P CA 0.320 63.410 63.100 -0.017 0.000 0.788 1011 P CB 0.573 32.256 31.700 -0.028 0.000 0.926 1012 Q N -1.789 117.962 119.800 -0.083 0.000 2.406 1012 Q HA -0.182 4.158 4.340 0.000 0.000 0.236 1012 Q C -0.207 175.701 176.000 -0.155 0.000 0.799 1012 Q CA 0.796 56.537 55.803 -0.104 0.000 1.286 1012 Q CB -1.536 27.155 28.738 -0.079 0.000 1.615 1012 Q HN 0.535 nan 8.270 nan 0.000 0.621 1013 I N 2.401 122.825 120.570 -0.244 0.000 2.354 1013 I HA 0.275 4.445 4.170 0.000 0.000 0.286 1013 I C -1.979 173.742 176.117 -0.661 0.000 1.007 1013 I CA -2.113 58.944 61.300 -0.406 0.000 1.167 1013 I CB 1.330 39.067 38.000 -0.439 0.000 1.320 1013 I HN -0.191 nan 8.210 nan 0.000 0.458 1014 P HA 0.080 nan 4.420 nan 0.000 0.271 1014 P C -1.406 175.665 177.300 -0.382 0.000 1.226 1014 P CA 0.238 63.144 63.100 -0.323 0.000 0.765 1014 P CB 0.282 31.884 31.700 -0.165 0.000 0.835 1015 Y N 2.281 122.562 120.300 -0.033 0.000 2.342 1015 Y HA 0.391 4.941 4.550 0.000 0.000 0.334 1015 Y C 1.124 176.998 175.900 -0.043 0.000 1.067 1015 Y CA -0.431 57.647 58.100 -0.036 0.000 1.128 1015 Y CB 2.062 40.502 38.460 -0.032 0.000 1.200 1015 Y HN 0.136 nan 8.280 nan 0.000 0.464 1016 K N 2.765 123.228 120.400 0.104 0.000 2.579 1016 K HA 0.743 5.063 4.320 0.000 0.000 0.250 1016 K C -1.033 175.519 176.600 -0.081 0.000 0.952 1016 K CA -0.632 55.647 56.287 -0.013 0.000 0.857 1016 K CB 1.901 34.383 32.500 -0.029 0.000 1.123 1016 K HN 0.707 nan 8.250 nan 0.000 0.433 1017 A N 3.654 126.414 122.820 -0.100 0.000 2.313 1017 A HA 0.829 5.149 4.320 0.000 0.000 0.323 1017 A C -0.945 176.531 177.584 -0.181 0.000 1.133 1017 A CA -0.770 51.204 52.037 -0.104 0.000 0.847 1017 A CB 0.850 19.825 19.000 -0.043 0.000 1.308 1017 A HN 0.652 nan 8.150 nan 0.000 0.475 1018 L N 0.682 121.822 121.223 -0.138 0.000 2.386 1018 L HA 0.463 4.803 4.340 0.000 0.000 0.271 1018 L C -1.044 175.783 176.870 -0.073 0.000 0.993 1018 L CA -0.978 53.785 54.840 -0.129 0.000 0.819 1018 L CB 2.195 44.181 42.059 -0.122 0.000 1.294 1018 L HN 0.421 nan 8.230 nan 0.000 0.414 1019 V N 2.131 122.012 119.914 -0.054 0.000 2.385 1019 V HA 0.165 4.285 4.120 0.000 0.000 0.269 1019 V C 0.286 176.414 176.094 0.056 0.000 1.043 1019 V CA -0.374 61.900 62.300 -0.044 0.000 0.906 1019 V CB 1.024 32.840 31.823 -0.010 0.000 0.995 1019 V HN 0.724 nan 8.190 nan 0.000 0.467 1020 E N 5.239 125.481 120.200 0.071 0.000 2.427 1020 E HA 0.267 4.617 4.350 0.000 0.000 0.259 1020 E C 0.077 176.730 176.600 0.089 0.000 1.267 1020 E CA -0.283 56.167 56.400 0.084 0.000 1.425 1020 E CB 0.536 30.279 29.700 0.071 0.000 1.482 1020 E HN 0.553 nan 8.360 nan 0.000 0.460 1021 R N 0.538 121.095 120.500 0.096 0.000 2.543 1021 R HA 0.513 4.853 4.340 0.000 0.000 0.268 1021 R C -0.162 176.168 176.300 0.051 0.000 1.067 1021 R CA -0.437 55.699 56.100 0.060 0.000 1.142 1021 R CB 1.184 31.481 30.300 -0.006 0.000 1.110 1021 R HN 0.158 nan 8.270 nan 0.000 0.549 1022 A N 0.902 123.742 122.820 0.034 0.000 2.260 1022 A HA 0.564 4.884 4.320 0.000 0.000 0.308 1022 A C 0.700 178.306 177.584 0.037 0.000 1.254 1022 A CA 0.467 52.522 52.037 0.029 0.000 0.874 1022 A CB 0.614 19.623 19.000 0.015 0.000 1.153 1022 A HN 0.863 nan 8.150 nan 0.000 0.527 1023 G N 1.710 110.519 108.800 0.015 0.000 4.013 1023 G HA2 -0.205 3.756 3.960 0.000 0.000 0.255 1023 G HA3 -0.205 3.756 3.960 0.000 0.000 0.255 1023 G C 0.136 175.002 174.900 -0.056 0.000 1.765 1023 G CA -0.019 45.050 45.100 -0.050 0.000 1.396 1023 G HN 0.808 nan 8.290 nan 0.000 0.605 1024 Y N 2.357 122.627 120.300 -0.050 0.000 2.607 1024 Y HA 0.402 4.952 4.550 0.000 0.000 0.348 1024 Y C 1.390 177.320 175.900 0.049 0.000 1.261 1024 Y CA 0.485 58.578 58.100 -0.011 0.000 1.480 1024 Y CB 0.349 38.762 38.460 -0.078 0.000 1.358 1024 Y HN 0.840 nan 8.280 nan 0.000 0.630 1025 A N 4.876 127.852 122.820 0.260 0.000 2.488 1025 A HA 0.210 4.530 4.320 0.000 0.000 0.249 1025 A C -2.198 175.538 177.584 0.253 0.000 1.083 1025 A CA -1.430 50.730 52.037 0.205 0.000 0.768 1025 A CB -0.742 18.361 19.000 0.173 0.000 1.017 1025 A HN 0.509 nan 8.150 nan 0.000 0.496 1026 P HA 0.099 nan 4.420 nan 0.000 0.264 1026 P C -0.270 177.137 177.300 0.178 0.000 1.229 1026 P CA 0.366 63.580 63.100 0.190 0.000 0.780 1026 P CB 0.264 32.057 31.700 0.155 0.000 0.808 1027 L N 3.691 125.017 121.223 0.172 0.000 2.472 1027 L HA 0.137 4.477 4.340 0.000 0.000 0.260 1027 L C 1.130 178.054 176.870 0.090 0.000 1.209 1027 L CA -0.153 54.742 54.840 0.090 0.000 0.817 1027 L CB 0.010 42.024 42.059 -0.075 0.000 1.106 1027 L HN 0.340 nan 8.230 nan 0.000 0.479 1028 N N 1.616 120.400 118.700 0.141 0.000 2.443 1028 N HA 0.533 5.273 4.740 0.000 0.000 0.295 1028 N C -1.025 174.601 175.510 0.194 0.000 1.076 1028 N CA -0.357 52.811 53.050 0.197 0.000 0.919 1028 N CB 1.453 40.130 38.487 0.315 0.000 1.176 1028 N HN 0.349 nan 8.380 nan 0.000 0.487 1029 L N 0.974 122.265 121.223 0.114 0.000 2.462 1029 L HA 0.394 4.734 4.340 0.000 0.000 0.255 1029 L C -0.123 176.754 176.870 0.012 0.000 1.076 1029 L CA -0.454 54.479 54.840 0.155 0.000 0.920 1029 L CB 0.988 43.152 42.059 0.175 0.000 1.214 1029 L HN 0.283 nan 8.230 nan 0.000 0.472 1030 E N 4.067 124.221 120.200 -0.076 0.000 2.174 1030 E HA 0.627 4.977 4.350 0.000 0.000 0.282 1030 E C -0.840 175.691 176.600 -0.115 0.000 0.992 1030 E CA -0.447 55.919 56.400 -0.056 0.000 0.803 1030 E CB 2.604 32.285 29.700 -0.033 0.000 1.090 1030 E HN 0.452 nan 8.360 nan 0.000 0.396 1031 I N 2.026 122.600 120.570 0.007 0.000 2.571 1031 I HA 0.240 4.410 4.170 0.000 0.000 0.289 1031 I C -0.497 175.713 176.117 0.156 0.000 1.115 1031 I CA -0.526 60.804 61.300 0.050 0.000 1.045 1031 I CB 2.397 40.438 38.000 0.069 0.000 1.238 1031 I HN 0.286 nan 8.210 nan 0.000 0.424 1032 T N 4.694 119.304 114.554 0.093 0.000 2.887 1032 T HA 0.483 4.833 4.350 0.000 0.000 0.288 1032 T C -0.393 174.352 174.700 0.075 0.000 1.021 1032 T CA -0.556 61.577 62.100 0.055 0.000 1.000 1032 T CB 2.503 71.357 68.868 -0.024 0.000 1.034 1032 T HN 0.168 nan 8.240 nan 0.000 0.467 1033 V N 4.465 124.426 119.914 0.078 0.000 2.364 1033 V HA 0.243 4.363 4.120 0.000 0.000 0.272 1033 V C 0.978 177.067 176.094 -0.009 0.000 1.036 1033 V CA -0.256 62.082 62.300 0.063 0.000 0.880 1033 V CB 0.755 32.645 31.823 0.112 0.000 0.991 1033 V HN 0.908 nan 8.190 nan 0.000 0.460 1034 M N 2.458 122.039 119.600 -0.032 0.000 2.142 1034 M HA 0.101 4.581 4.480 0.000 0.000 0.256 1034 M C 0.283 176.550 176.300 -0.055 0.000 1.098 1034 M CA 1.162 56.419 55.300 -0.072 0.000 1.151 1034 M CB 0.102 32.637 32.600 -0.109 0.000 1.299 1034 M HN 0.690 nan 8.290 nan 0.000 0.431 1035 S N -0.165 115.509 115.700 -0.043 0.000 2.626 1035 S HA 0.419 4.889 4.470 0.000 0.000 0.275 1035 S C -0.823 173.762 174.600 -0.025 0.000 1.175 1035 S CA -1.090 57.088 58.200 -0.037 0.000 0.982 1035 S CB 1.708 64.882 63.200 -0.044 0.000 1.093 1035 S HN 0.151 nan 8.310 nan 0.000 0.472 1036 S N 2.303 117.992 115.700 -0.017 0.000 2.584 1036 S HA 0.488 4.958 4.470 0.000 0.000 0.273 1036 S C -0.265 174.337 174.600 0.004 0.000 1.311 1036 S CA -0.756 57.444 58.200 -0.001 0.000 1.034 1036 S CB 0.544 63.746 63.200 0.004 0.000 0.939 1036 S HN 0.739 nan 8.310 nan 0.000 0.513 1037 E N 1.250 121.458 120.200 0.014 0.000 2.302 1037 E HA 0.319 4.669 4.350 0.000 0.000 0.263 1037 E C -1.658 174.969 176.600 0.045 0.000 0.897 1037 E CA -0.389 56.023 56.400 0.021 0.000 0.809 1037 E CB 1.885 31.579 29.700 -0.011 0.000 1.270 1037 E HN 0.279 nan 8.360 nan 0.000 0.410 1038 V N 4.832 124.803 119.914 0.094 0.000 2.313 1038 V HA 0.336 4.456 4.120 0.000 0.000 0.278 1038 V C -0.302 175.867 176.094 0.125 0.000 1.017 1038 V CA -0.539 61.833 62.300 0.119 0.000 0.823 1038 V CB 1.209 33.143 31.823 0.184 0.000 1.010 1038 V HN 0.571 nan 8.190 nan 0.000 0.443 1039 L N 8.729 129.991 121.223 0.066 0.000 2.319 1039 L HA 0.627 4.967 4.340 0.000 0.000 0.281 1039 L C -2.105 174.778 176.870 0.021 0.000 1.005 1039 L CA -1.692 53.165 54.840 0.029 0.000 0.828 1039 L CB 2.703 44.761 42.059 -0.003 0.000 1.227 1039 L HN 0.428 nan 8.230 nan 0.000 0.415 1040 P HA 0.114 nan 4.420 nan 0.000 0.276 1040 P C -0.784 176.506 177.300 -0.016 0.000 1.261 1040 P CA -0.514 62.586 63.100 0.001 0.000 0.800 1040 P CB 0.877 32.568 31.700 -0.014 0.000 1.066 1041 S N -0.794 114.910 115.700 0.008 0.000 2.670 1041 S HA 0.111 4.581 4.470 0.000 0.000 0.328 1041 S C 0.242 174.838 174.600 -0.007 0.000 1.179 1041 S CA -0.334 57.873 58.200 0.011 0.000 1.194 1041 S CB -1.539 61.681 63.200 0.034 0.000 1.359 1041 S HN 0.339 nan 8.310 nan 0.000 0.555 1042 T N 4.430 118.964 114.554 -0.033 0.000 2.779 1042 T HA 0.218 4.568 4.350 0.000 0.000 0.296 1042 T C 0.035 174.719 174.700 -0.027 0.000 0.938 1042 T CA -0.291 61.778 62.100 -0.052 0.000 1.119 1042 T CB -0.043 68.782 68.868 -0.071 0.000 0.891 1042 T HN 0.575 nan 8.240 nan 0.000 0.526 1043 N N 3.619 122.306 118.700 -0.022 0.000 2.682 1043 N HA 0.149 4.889 4.740 0.000 0.000 0.252 1043 N C -0.575 174.929 175.510 -0.010 0.000 1.081 1043 N CA -0.499 52.545 53.050 -0.011 0.000 0.844 1043 N CB 1.159 39.647 38.487 0.001 0.000 1.167 1043 N HN 0.581 nan 8.380 nan 0.000 0.523 1044 Q N 0.874 120.670 119.800 -0.007 0.000 2.274 1044 Q HA 0.063 4.403 4.340 0.000 0.000 0.280 1044 Q C 0.473 176.498 176.000 0.042 0.000 1.047 1044 Q CA 0.726 56.535 55.803 0.009 0.000 0.907 1044 Q CB 1.317 30.058 28.738 0.004 0.000 1.171 1044 Q HN 0.517 nan 8.270 nan 0.000 0.381 1045 E N 1.612 121.866 120.200 0.090 0.000 2.502 1045 E HA 0.125 4.475 4.350 0.000 0.000 0.206 1045 E C -0.418 176.374 176.600 0.319 0.000 0.821 1045 E CA 0.133 56.622 56.400 0.149 0.000 1.354 1045 E CB 0.932 30.695 29.700 0.103 0.000 1.336 1045 E HN 0.521 nan 8.360 nan 0.000 0.675 1046 Y N -0.054 120.311 120.300 0.109 0.000 2.615 1046 Y HA 0.574 5.124 4.550 0.000 0.000 0.341 1046 Y C -0.767 175.101 175.900 -0.054 0.000 1.089 1046 Y CA -1.200 56.902 58.100 0.004 0.000 1.049 1046 Y CB 2.294 40.681 38.460 -0.123 0.000 1.296 1046 Y HN -0.198 nan 8.280 nan 0.000 0.470 1047 I N 1.019 121.604 120.570 0.025 0.000 2.913 1047 I HA 0.449 4.619 4.170 0.000 0.000 0.302 1047 I C -1.046 174.990 176.117 -0.135 0.000 1.246 1047 I CA -0.623 60.599 61.300 -0.129 0.000 1.010 1047 I CB 2.909 40.728 38.000 -0.301 0.000 1.259 1047 I HN 0.631 nan 8.210 nan 0.000 0.434 1048 T N -0.187 114.278 114.554 -0.148 0.000 2.787 1048 T HA 0.821 5.171 4.350 0.000 0.000 0.297 1048 T C -0.759 173.761 174.700 -0.300 0.000 1.221 1048 T CA -0.649 61.372 62.100 -0.131 0.000 1.006 1048 T CB 2.167 71.015 68.868 -0.033 0.000 1.328 1048 T HN 0.796 nan 8.240 nan 0.000 0.509 1049 C N -0.631 118.246 119.300 -0.704 0.000 3.184 1049 C HA 0.372 4.832 4.460 0.000 0.000 0.319 1049 C C -0.894 173.491 174.990 -1.008 0.000 1.378 1049 C CA -1.063 57.475 59.018 -0.800 0.000 1.168 1049 C CB 0.657 28.197 27.740 -0.333 0.000 1.496 1049 C HN 1.190 nan 8.230 nan 0.000 0.416 1050 K N -0.015 120.012 120.400 -0.620 0.000 2.187 1050 K HA 0.593 4.913 4.320 0.000 0.000 0.247 1050 K C -1.117 175.002 176.600 -0.801 0.000 1.019 1050 K CA 0.640 56.614 56.287 -0.523 0.000 0.893 1050 K CB 0.263 32.649 32.500 -0.191 0.000 1.025 1050 K HN 0.448 nan 8.250 nan 0.000 0.500 1051 F N -1.355 118.660 119.950 0.107 0.000 2.754 1051 F HA 0.357 4.884 4.527 0.000 0.000 0.320 1051 F C -0.361 175.471 175.800 0.053 0.000 1.156 1051 F CA -1.085 56.961 58.000 0.077 0.000 0.950 1051 F CB 2.378 41.433 39.000 0.091 0.000 1.388 1051 F HN 0.216 nan 8.300 nan 0.000 0.485 1052 T N 0.182 114.896 114.554 0.267 0.000 3.011 1052 T HA 0.305 4.655 4.350 0.000 0.000 0.303 1052 T C -0.898 173.870 174.700 0.113 0.000 0.997 1052 T CA -0.749 61.438 62.100 0.145 0.000 1.007 1052 T CB 1.434 70.360 68.868 0.097 0.000 1.017 1052 T HN 0.496 nan 8.240 nan 0.000 0.443 1053 T N 2.649 117.258 114.554 0.092 0.000 2.853 1053 T HA 0.220 4.570 4.350 0.000 0.000 0.298 1053 T C 0.594 175.321 174.700 0.046 0.000 0.978 1053 T CA -0.272 61.867 62.100 0.066 0.000 1.152 1053 T CB 0.289 69.200 68.868 0.072 0.000 0.914 1053 T HN 0.374 nan 8.240 nan 0.000 0.539 1054 V N 4.998 124.928 119.914 0.026 0.000 2.180 1054 V HA 0.159 4.279 4.120 0.000 0.000 0.265 1054 V C 0.254 176.325 176.094 -0.039 0.000 1.214 1054 V CA -0.682 61.620 62.300 0.003 0.000 1.130 1054 V CB 0.241 32.068 31.823 0.006 0.000 1.266 1054 V HN 0.729 nan 8.190 nan 0.000 0.473 1055 V N 6.522 126.430 119.914 -0.010 0.000 2.427 1055 V HA 0.253 4.373 4.120 0.000 0.000 0.268 1055 V C -0.790 175.284 176.094 -0.033 0.000 1.046 1055 V CA -0.922 61.371 62.300 -0.012 0.000 0.970 1055 V CB 0.846 32.708 31.823 0.065 0.000 1.001 1055 V HN 0.643 nan 8.190 nan 0.000 0.476 1056 P HA 0.283 nan 4.420 nan 0.000 0.289 1056 P C -0.434 176.853 177.300 -0.022 0.000 1.299 1056 P CA -0.481 62.586 63.100 -0.055 0.000 0.766 1056 P CB 0.668 32.312 31.700 -0.093 0.000 1.226 1057 S N -0.143 115.549 115.700 -0.013 0.000 2.499 1057 S HA 0.422 4.892 4.470 0.000 0.000 0.279 1057 S C -1.954 172.650 174.600 0.006 0.000 1.219 1057 S CA -1.152 57.047 58.200 -0.002 0.000 1.062 1057 S CB -0.005 63.193 63.200 -0.003 0.000 0.978 1057 S HN 0.349 nan 8.310 nan 0.000 0.489 1058 P HA 0.197 nan 4.420 nan 0.000 0.269 1058 P C -0.875 176.441 177.300 0.028 0.000 1.209 1058 P CA -0.424 62.699 63.100 0.037 0.000 0.776 1058 P CB 0.516 32.257 31.700 0.067 0.000 0.876 1059 K N 2.716 123.135 120.400 0.033 0.000 3.129 1059 K HA 0.317 4.637 4.320 0.000 0.000 0.224 1059 K C 0.377 176.998 176.600 0.035 0.000 1.249 1059 K CA -0.447 55.855 56.287 0.026 0.000 1.177 1059 K CB -0.218 32.297 32.500 0.024 0.000 1.393 1059 K HN 0.451 nan 8.250 nan 0.000 0.459 1060 I N 1.689 122.283 120.570 0.040 0.000 2.845 1060 I HA -0.158 4.012 4.170 0.000 0.000 0.296 1060 I C 0.799 176.936 176.117 0.033 0.000 1.216 1060 I CA 0.887 62.220 61.300 0.054 0.000 1.438 1060 I CB 0.153 38.177 38.000 0.039 0.000 1.342 1060 I HN 0.296 nan 8.210 nan 0.000 0.577 1061 K N 4.071 124.500 120.400 0.049 0.000 1.754 1061 K HA 0.614 4.934 4.320 0.000 0.000 0.264 1061 K C -0.453 176.182 176.600 0.058 0.000 0.932 1061 K CA -0.681 55.633 56.287 0.045 0.000 0.833 1061 K CB 0.819 33.344 32.500 0.042 0.000 2.355 1061 K HN 0.582 nan 8.250 nan 0.000 0.873 1062 C N -0.392 118.947 119.300 0.065 0.000 3.389 1062 C HA 0.211 4.671 4.460 0.000 0.000 0.133 1062 C C 1.734 176.764 174.990 0.066 0.000 2.714 1062 C CA -0.530 58.536 59.018 0.081 0.000 1.946 1062 C CB 0.186 27.992 27.740 0.109 0.000 3.241 1062 C HN 0.838 nan 8.230 nan 0.000 0.403 1063 c N 2.287 120.925 118.600 0.064 0.000 2.511 1063 c HA 0.331 4.901 4.570 0.000 0.000 0.300 1063 c C 1.272 175.384 174.090 0.036 0.000 1.393 1063 c CA -0.213 56.145 56.329 0.047 0.000 1.637 1063 c CB -2.388 40.150 42.510 0.047 0.000 1.637 1063 c HN 0.823 nan 8.230 nan 0.000 0.595 1064 G N 0.963 109.785 108.800 0.037 0.000 2.448 1064 G HA2 0.459 4.419 3.960 0.000 0.000 0.285 1064 G HA3 0.459 4.419 3.960 0.000 0.000 0.285 1064 G C 0.042 174.957 174.900 0.025 0.000 1.176 1064 G CA -0.049 45.068 45.100 0.028 0.000 0.852 1064 G HN 0.517 nan 8.290 nan 0.000 0.530 1065 S N 0.181 115.893 115.700 0.019 0.000 2.601 1065 S HA 0.716 5.186 4.470 0.000 0.000 0.271 1065 S C -0.297 174.311 174.600 0.013 0.000 1.305 1065 S CA -0.575 57.634 58.200 0.015 0.000 1.022 1065 S CB 1.200 64.407 63.200 0.011 0.000 0.940 1065 S HN 0.501 nan 8.310 nan 0.000 0.525 1066 L N 0.844 122.072 121.223 0.008 0.000 2.505 1066 L HA 0.562 4.902 4.340 0.000 0.000 0.259 1066 L C -0.845 176.020 176.870 -0.008 0.000 0.952 1066 L CA -0.356 54.486 54.840 0.003 0.000 0.840 1066 L CB 2.433 44.495 42.059 0.005 0.000 1.358 1066 L HN 0.792 nan 8.230 nan 0.000 0.409 1067 E N 1.634 121.830 120.200 -0.008 0.000 2.294 1067 E HA 0.282 4.632 4.350 0.000 0.000 0.272 1067 E C -1.429 175.165 176.600 -0.009 0.000 0.896 1067 E CA -0.602 55.789 56.400 -0.015 0.000 0.802 1067 E CB 2.101 31.793 29.700 -0.012 0.000 1.267 1067 E HN 0.491 nan 8.360 nan 0.000 0.406 1068 C N 2.493 121.786 119.300 -0.013 0.000 2.652 1068 C HA 0.149 4.609 4.460 0.000 0.000 0.412 1068 C C 0.374 175.369 174.990 0.007 0.000 1.294 1068 C CA -0.337 58.687 59.018 0.010 0.000 2.127 1068 C CB -0.166 27.585 27.740 0.017 0.000 2.691 1068 C HN 0.630 nan 8.230 nan 0.000 0.615 1069 Q N 2.690 122.504 119.800 0.023 0.000 2.331 1069 Q HA 0.451 4.791 4.340 0.000 0.000 0.267 1069 Q C -2.121 173.860 176.000 -0.031 0.000 1.006 1069 Q CA -1.067 54.729 55.803 -0.011 0.000 0.818 1069 Q CB 1.608 30.343 28.738 -0.005 0.000 1.276 1069 Q HN 0.631 nan 8.270 nan 0.000 0.450 1070 P HA 0.408 nan 4.420 nan 0.000 0.276 1070 P C -1.055 176.029 177.300 -0.361 0.000 1.244 1070 P CA -0.086 62.743 63.100 -0.452 0.000 0.801 1070 P CB 1.519 32.886 31.700 -0.556 0.000 1.006 1071 A N 0.811 123.342 122.820 -0.482 0.000 3.389 1071 A HA 0.756 5.076 4.320 0.000 0.000 0.179 1071 A C -0.765 176.715 177.584 -0.174 0.000 0.848 1071 A CA 0.172 52.095 52.037 -0.189 0.000 1.090 1071 A CB -0.054 18.921 19.000 -0.041 0.000 1.808 1071 A HN 0.589 nan 8.150 nan 0.000 0.715 1072 A N 0.342 123.059 122.820 -0.172 0.000 2.943 1072 A HA 0.683 5.003 4.320 0.000 0.000 0.327 1072 A C -0.751 176.641 177.584 -0.319 0.000 1.141 1072 A CA -0.380 51.570 52.037 -0.146 0.000 0.773 1072 A CB -0.085 18.824 19.000 -0.151 0.000 1.143 1072 A HN 0.646 nan 8.150 nan 0.000 0.463 1073 H N 0.238 119.362 119.070 0.089 0.000 3.220 1073 H HA 0.775 5.331 4.556 0.000 0.000 0.299 1073 H C -0.053 175.103 175.328 -0.287 0.000 1.604 1073 H CA -0.239 55.644 56.048 -0.275 0.000 1.260 1073 H CB 1.813 31.072 29.762 -0.838 0.000 1.846 1073 H HN 0.634 nan 8.280 nan 0.000 0.632 1074 A N 1.018 123.707 122.820 -0.219 0.000 2.276 1074 A HA 0.511 4.831 4.320 0.000 0.000 0.316 1074 A C -0.870 176.554 177.584 -0.267 0.000 1.229 1074 A CA -0.283 51.641 52.037 -0.189 0.000 0.851 1074 A CB -0.179 18.727 19.000 -0.157 0.000 1.165 1074 A HN 0.701 nan 8.150 nan 0.000 0.513 1075 D N -0.742 119.564 120.400 -0.157 0.000 10.695 1075 D HA -0.190 4.450 4.640 0.000 0.000 0.330 1075 D C -1.222 174.993 176.300 -0.142 0.000 3.085 1075 D CA 1.667 55.613 54.000 -0.090 0.000 2.708 1075 D CB -0.695 40.065 40.800 -0.067 0.000 1.181 1075 D HN 0.615 nan 8.370 nan 0.000 0.923 1076 Y N 0.348 120.672 120.300 0.040 0.000 2.379 1076 Y HA 0.377 4.927 4.550 0.000 0.000 0.342 1076 Y C -0.288 175.643 175.900 0.051 0.000 1.126 1076 Y CA -0.388 57.758 58.100 0.077 0.000 1.310 1076 Y CB 1.932 40.403 38.460 0.018 0.000 1.115 1076 Y HN 0.193 nan 8.280 nan 0.000 0.505 1077 T N 2.929 117.612 114.554 0.215 0.000 3.089 1077 T HA 0.344 4.694 4.350 0.000 0.000 0.340 1077 T C -1.107 173.619 174.700 0.044 0.000 1.008 1077 T CA -0.302 61.851 62.100 0.090 0.000 1.096 1077 T CB -0.036 68.839 68.868 0.011 0.000 1.024 1077 T HN 0.457 nan 8.240 nan 0.000 0.477 1078 C N 3.773 123.107 119.300 0.056 0.000 2.379 1078 C HA 0.703 5.163 4.460 0.000 0.000 0.323 1078 C C -0.028 174.903 174.990 -0.099 0.000 1.262 1078 C CA -1.166 57.843 59.018 -0.014 0.000 1.581 1078 C CB 0.643 28.415 27.740 0.053 0.000 2.221 1078 C HN 0.736 nan 8.230 nan 0.000 0.497 1079 K N 2.100 122.349 120.400 -0.251 0.000 2.507 1079 K HA 0.511 4.831 4.320 0.000 0.000 0.251 1079 K C -1.270 174.882 176.600 -0.746 0.000 0.943 1079 K CA -0.527 55.528 56.287 -0.387 0.000 0.794 1079 K CB 2.121 34.449 32.500 -0.286 0.000 1.188 1079 K HN 0.432 nan 8.250 nan 0.000 0.428 1080 V N 4.500 124.160 119.914 -0.423 0.000 2.439 1080 V HA 0.188 4.308 4.120 0.000 0.000 0.271 1080 V C -0.285 175.647 176.094 -0.271 0.000 1.040 1080 V CA -0.074 62.024 62.300 -0.338 0.000 1.002 1080 V CB -0.642 31.103 31.823 -0.130 0.000 1.000 1080 V HN 0.534 nan 8.190 nan 0.000 0.477 1081 F N 2.979 122.941 119.950 0.021 0.000 2.408 1081 F HA 0.689 5.216 4.527 0.000 0.000 0.344 1081 F C 0.942 176.737 175.800 -0.008 0.000 1.112 1081 F CA -0.489 57.513 58.000 0.003 0.000 1.096 1081 F CB 1.614 40.610 39.000 -0.006 0.000 1.129 1081 F HN 0.558 nan 8.300 nan 0.000 0.486 1082 G N 0.278 109.184 108.800 0.176 0.000 2.495 1082 G HA2 0.501 4.461 3.960 0.000 0.000 0.318 1082 G HA3 0.501 4.461 3.960 0.000 0.000 0.318 1082 G C 0.365 175.288 174.900 0.038 0.000 1.257 1082 G CA -0.383 44.767 45.100 0.083 0.000 0.962 1082 G HN 1.044 nan 8.290 nan 0.000 0.483 1083 G N -0.463 108.341 108.800 0.006 0.000 2.179 1083 G HA2 -0.147 3.813 3.960 0.000 0.000 0.220 1083 G HA3 -0.147 3.813 3.960 0.000 0.000 0.220 1083 G C 0.317 175.172 174.900 -0.075 0.000 0.990 1083 G CA 0.169 45.249 45.100 -0.033 0.000 0.646 1083 G HN 1.282 nan 8.290 nan 0.000 0.517 1084 V N 0.806 120.660 119.914 -0.099 0.000 2.732 1084 V HA 0.533 4.653 4.120 0.000 0.000 0.297 1084 V C 1.032 177.023 176.094 -0.172 0.000 1.060 1084 V CA 0.191 62.332 62.300 -0.265 0.000 1.038 1084 V CB 0.247 31.807 31.823 -0.439 0.000 1.003 1084 V HN 0.658 nan 8.190 nan 0.000 0.481 1085 Y N 2.823 123.109 120.300 -0.024 0.000 2.994 1085 Y HA -0.140 4.410 4.550 0.000 0.000 0.168 1085 Y C -1.387 174.464 175.900 -0.083 0.000 1.648 1085 Y CA -0.023 58.059 58.100 -0.030 0.000 0.924 1085 Y CB -1.294 37.151 38.460 -0.026 0.000 1.415 1085 Y HN 0.622 nan 8.280 nan 0.000 0.391 1086 P HA -0.038 nan 4.420 nan 0.000 0.230 1086 P C 0.066 176.973 177.300 -0.654 0.000 1.158 1086 P CA 1.435 64.335 63.100 -0.333 0.000 0.769 1086 P CB 0.293 31.788 31.700 -0.341 0.000 0.807 1087 F N -2.998 117.020 119.950 0.114 0.000 2.789 1087 F HA 0.331 4.858 4.527 0.000 0.000 0.319 1087 F C 1.931 177.756 175.800 0.043 0.000 1.168 1087 F CA -1.056 57.008 58.000 0.107 0.000 0.934 1087 F CB 0.589 39.704 39.000 0.192 0.000 1.375 1087 F HN -0.447 nan 8.300 nan 0.000 0.480 1088 M N -0.374 119.367 119.600 0.235 0.000 2.374 1088 M HA -0.113 4.367 4.480 0.000 0.000 0.264 1088 M C 0.605 176.811 176.300 -0.157 0.000 1.067 1088 M CA 1.908 57.129 55.300 -0.131 0.000 1.103 1088 M CB -0.093 32.311 32.600 -0.326 0.000 1.402 1088 M HN 0.558 nan 8.290 nan 0.000 0.444 1089 W N -0.494 120.834 121.300 0.047 0.000 3.290 1089 W HA 0.262 4.922 4.660 0.000 0.000 0.287 1089 W C 2.087 178.648 176.519 0.070 0.000 1.288 1089 W CA 0.227 57.591 57.345 0.031 0.000 1.725 1089 W CB -0.784 28.684 29.460 0.013 0.000 1.103 1089 W HN 0.151 nan 8.180 nan 0.000 0.670 1090 G N -0.048 108.919 108.800 0.278 0.000 2.395 1090 G HA2 0.286 4.246 3.960 0.000 0.000 0.214 1090 G HA3 0.286 4.246 3.960 0.000 0.000 0.214 1090 G C 1.433 176.451 174.900 0.196 0.000 1.177 1090 G CA 1.310 46.569 45.100 0.264 0.000 0.794 1090 G HN 0.361 nan 8.290 nan 0.000 0.532 1091 G N -1.085 107.718 108.800 0.006 0.000 4.018 1091 G HA2 0.221 4.181 3.960 0.000 0.000 0.195 1091 G HA3 0.221 4.181 3.960 0.000 0.000 0.195 1091 G C 1.208 175.863 174.900 -0.407 0.000 1.019 1091 G CA 0.613 45.611 45.100 -0.170 0.000 0.871 1091 G HN 0.925 nan 8.290 nan 0.000 0.339 1092 A N 0.381 122.808 122.820 -0.655 0.000 2.251 1092 A HA 0.514 4.834 4.320 0.000 0.000 0.209 1092 A C 1.173 178.559 177.584 -0.331 0.000 1.187 1092 A CA 1.471 53.176 52.037 -0.552 0.000 0.823 1092 A CB -0.469 18.103 19.000 -0.714 0.000 0.846 1092 A HN 0.788 nan 8.150 nan 0.000 0.486 1093 Q N -1.109 118.509 119.800 -0.304 0.000 2.460 1093 Q HA -0.186 4.154 4.340 0.000 0.000 0.311 1093 Q C -0.534 175.198 176.000 -0.446 0.000 1.396 1093 Q CA 0.384 55.977 55.803 -0.350 0.000 0.838 1093 Q CB -2.628 25.928 28.738 -0.304 0.000 1.140 1093 Q HN 0.699 nan 8.270 nan 0.000 0.415 1094 C N -0.534 118.570 119.300 -0.326 0.000 2.459 1094 C HA 0.410 4.870 4.460 0.000 0.000 0.374 1094 C C 1.351 176.137 174.990 -0.339 0.000 1.241 1094 C CA -0.471 58.399 59.018 -0.246 0.000 2.352 1094 C CB 0.096 27.802 27.740 -0.057 0.000 2.490 1094 C HN 0.546 nan 8.230 nan 0.000 0.583 1095 F N -0.437 119.546 119.950 0.055 0.000 2.704 1095 F HA 0.179 4.706 4.527 0.000 0.000 0.304 1095 F C 1.309 177.155 175.800 0.076 0.000 1.094 1095 F CA -0.181 57.868 58.000 0.082 0.000 1.275 1095 F CB -0.144 38.889 39.000 0.055 0.000 1.073 1095 F HN 0.465 nan 8.300 nan 0.000 0.586 1096 c N 1.121 119.824 118.600 0.172 0.000 2.539 1096 c HA 0.125 4.695 4.570 0.000 0.000 0.392 1096 c C 1.631 175.710 174.090 -0.017 0.000 1.269 1096 c CA -0.663 55.719 56.329 0.088 0.000 2.250 1096 c CB 0.827 43.376 42.510 0.065 0.000 2.584 1096 c HN 0.350 nan 8.230 nan 0.000 0.589 1097 D N 0.743 121.125 120.400 -0.030 0.000 2.091 1097 D HA -0.049 4.591 4.640 0.000 0.000 0.199 1097 D C 1.612 177.791 176.300 -0.203 0.000 0.980 1097 D CA 1.722 55.633 54.000 -0.148 0.000 0.831 1097 D CB 0.085 40.871 40.800 -0.024 0.000 0.987 1097 D HN 0.719 nan 8.370 nan 0.000 0.460 1098 S N -1.489 114.156 115.700 -0.092 0.000 3.067 1098 S HA 0.220 4.690 4.470 0.000 0.000 0.253 1098 S C -0.101 174.482 174.600 -0.028 0.000 0.942 1098 S CA -0.607 57.549 58.200 -0.074 0.000 1.197 1098 S CB 0.127 63.291 63.200 -0.060 0.000 1.143 1098 S HN 0.030 nan 8.310 nan 0.000 0.638 1099 E N 2.498 122.692 120.200 -0.010 0.000 2.731 1099 E HA 0.369 4.719 4.350 0.000 0.000 0.220 1099 E C -1.007 175.609 176.600 0.027 0.000 1.087 1099 E CA -0.330 56.077 56.400 0.012 0.000 1.020 1099 E CB 0.317 30.028 29.700 0.018 0.000 1.339 1099 E HN 0.397 nan 8.360 nan 0.000 0.444 1100 N N 1.210 119.929 118.700 0.032 0.000 2.235 1100 N HA 0.326 5.066 4.740 0.000 0.000 0.293 1100 N C -0.941 174.611 175.510 0.068 0.000 1.083 1100 N CA -0.410 52.675 53.050 0.059 0.000 0.801 1100 N CB 2.275 40.810 38.487 0.081 0.000 1.559 1100 N HN 0.265 nan 8.380 nan 0.000 0.472 1101 S N 0.586 116.333 115.700 0.077 0.000 2.627 1101 S HA 0.612 5.082 4.470 0.000 0.000 0.283 1101 S C -1.080 173.574 174.600 0.091 0.000 1.127 1101 S CA -0.750 57.496 58.200 0.077 0.000 0.863 1101 S CB 2.722 65.947 63.200 0.043 0.000 1.121 1101 S HN 0.525 nan 8.310 nan 0.000 0.479 1102 Q N 0.220 120.069 119.800 0.082 0.000 2.456 1102 Q HA 0.486 4.826 4.340 0.000 0.000 0.283 1102 Q C 0.218 176.218 176.000 -0.001 0.000 1.084 1102 Q CA -0.947 54.906 55.803 0.083 0.000 0.801 1102 Q CB 2.222 31.062 28.738 0.171 0.000 1.434 1102 Q HN 0.700 nan 8.270 nan 0.000 0.419 1103 M N -0.224 119.380 119.600 0.006 0.000 2.276 1103 M HA 0.065 4.545 4.480 0.000 0.000 0.262 1103 M C 0.008 176.270 176.300 -0.063 0.000 1.098 1103 M CA 0.621 55.901 55.300 -0.032 0.000 1.167 1103 M CB 0.230 32.831 32.600 0.002 0.000 1.337 1103 M HN 0.709 nan 8.290 nan 0.000 0.446 1104 S N 2.410 118.121 115.700 0.018 0.000 3.391 1104 S HA -0.101 4.369 4.470 0.000 0.000 0.458 1104 S C -0.541 174.084 174.600 0.041 0.000 0.812 1104 S CA 0.355 58.614 58.200 0.098 0.000 1.366 1104 S CB -0.918 62.404 63.200 0.204 0.000 0.943 1104 S HN 0.449 nan 8.310 nan 0.000 0.680 1105 E N 0.814 121.008 120.200 -0.011 0.000 2.212 1105 E HA 0.780 5.130 4.350 0.000 0.000 0.270 1105 E C -0.073 176.378 176.600 -0.249 0.000 0.956 1105 E CA -0.731 55.567 56.400 -0.169 0.000 0.825 1105 E CB 1.762 31.311 29.700 -0.251 0.000 1.167 1105 E HN 0.620 nan 8.360 nan 0.000 0.400 1106 A N 2.451 124.994 122.820 -0.463 0.000 2.500 1106 A HA 0.481 4.801 4.320 0.000 0.000 0.288 1106 A C -1.777 175.612 177.584 -0.326 0.000 1.045 1106 A CA -0.585 51.241 52.037 -0.352 0.000 0.830 1106 A CB 0.192 19.112 19.000 -0.133 0.000 1.337 1106 A HN 0.619 nan 8.150 nan 0.000 0.400 1107 Y N 0.301 120.522 120.300 -0.131 0.000 2.686 1107 Y HA 0.784 5.334 4.550 0.000 0.000 0.330 1107 Y C 0.068 175.886 175.900 -0.136 0.000 1.082 1107 Y CA -1.651 56.331 58.100 -0.196 0.000 1.158 1107 Y CB 2.270 40.552 38.460 -0.297 0.000 1.333 1107 Y HN 0.355 nan 8.280 nan 0.000 0.519 1108 V N 1.141 121.074 119.914 0.032 0.000 2.488 1108 V HA 0.252 4.372 4.120 0.000 0.000 0.293 1108 V C -0.790 175.268 176.094 -0.060 0.000 1.027 1108 V CA -0.960 61.326 62.300 -0.024 0.000 0.862 1108 V CB 1.313 33.085 31.823 -0.084 0.000 1.008 1108 V HN 0.722 nan 8.190 nan 0.000 0.428 1109 E N 3.325 123.527 120.200 0.004 0.000 2.232 1109 E HA 0.605 4.956 4.350 0.000 0.000 0.265 1109 E C -0.755 175.918 176.600 0.122 0.000 1.001 1109 E CA -1.008 55.407 56.400 0.024 0.000 0.870 1109 E CB 2.082 31.799 29.700 0.030 0.000 1.175 1109 E HN 0.494 nan 8.360 nan 0.000 0.407 1110 L N 2.164 123.481 121.223 0.156 0.000 2.499 1110 L HA 0.002 4.342 4.340 0.000 0.000 0.273 1110 L C 0.835 177.818 176.870 0.188 0.000 1.195 1110 L CA -0.152 54.856 54.840 0.279 0.000 0.882 1110 L CB -0.018 42.170 42.059 0.215 0.000 1.133 1110 L HN 0.575 nan 8.230 nan 0.000 0.483 1111 S N 2.408 118.219 115.700 0.185 0.000 2.587 1111 S HA 0.184 4.654 4.470 0.000 0.000 0.260 1111 S C 1.100 175.720 174.600 0.034 0.000 1.353 1111 S CA -0.169 58.081 58.200 0.083 0.000 0.995 1111 S CB 1.165 64.385 63.200 0.034 0.000 0.912 1111 S HN 0.690 nan 8.310 nan 0.000 0.568 1112 A N 0.166 122.995 122.820 0.015 0.000 2.016 1112 A HA 0.063 4.383 4.320 0.000 0.000 0.217 1112 A C 1.470 179.036 177.584 -0.030 0.000 1.162 1112 A CA 0.864 52.902 52.037 0.000 0.000 0.662 1112 A CB -0.555 18.448 19.000 0.005 0.000 0.812 1112 A HN 0.815 nan 8.150 nan 0.000 0.450 1113 D N -1.115 119.256 120.400 -0.048 0.000 2.340 1113 D HA 0.042 4.682 4.640 0.000 0.000 0.220 1113 D C 1.247 177.454 176.300 -0.154 0.000 1.039 1113 D CA 0.197 54.149 54.000 -0.079 0.000 0.866 1113 D CB -0.162 40.600 40.800 -0.063 0.000 0.913 1113 D HN 0.382 nan 8.370 nan 0.000 0.523 1114 C N 0.531 119.721 119.300 -0.184 0.000 2.495 1114 C HA 0.133 4.593 4.460 0.000 0.000 0.275 1114 C C 2.735 177.411 174.990 -0.524 0.000 1.392 1114 C CA 0.430 59.216 59.018 -0.387 0.000 1.766 1114 C CB -0.677 26.923 27.740 -0.233 0.000 1.933 1114 C HN 0.381 nan 8.230 nan 0.000 0.519 1115 A N 0.302 122.996 122.820 -0.210 0.000 1.940 1115 A HA -0.148 4.173 4.320 0.000 0.000 0.219 1115 A C 2.200 179.718 177.584 -0.109 0.000 1.176 1115 A CA 2.522 54.499 52.037 -0.100 0.000 0.631 1115 A CB -0.464 18.517 19.000 -0.031 0.000 0.814 1115 A HN 0.570 nan 8.150 nan 0.000 0.446 1116 S N -0.396 115.219 115.700 -0.142 0.000 2.289 1116 S HA 0.043 4.513 4.470 0.000 0.000 0.193 1116 S C 0.274 174.801 174.600 -0.121 0.000 1.002 1116 S CA -0.115 58.030 58.200 -0.091 0.000 0.951 1116 S CB -0.363 62.801 63.200 -0.061 0.000 0.920 1116 S HN 0.563 nan 8.310 nan 0.000 0.502 1117 D N 1.768 122.081 120.400 -0.146 0.000 2.458 1117 D HA 0.298 4.938 4.640 0.000 0.000 0.243 1117 D C -0.056 176.113 176.300 -0.218 0.000 1.146 1117 D CA 0.875 54.804 54.000 -0.119 0.000 0.877 1117 D CB 0.363 41.113 40.800 -0.084 0.000 1.176 1117 D HN 0.289 nan 8.370 nan 0.000 0.461 1118 H N -0.312 118.706 119.070 -0.088 0.000 3.110 1118 H HA 0.706 5.262 4.556 0.000 0.000 0.277 1118 H C -1.248 173.962 175.328 -0.196 0.000 1.571 1118 H CA -0.801 55.163 56.048 -0.140 0.000 1.206 1118 H CB 1.636 31.334 29.762 -0.105 0.000 1.852 1118 H HN 0.364 nan 8.280 nan 0.000 0.629 1119 A N 1.282 124.066 122.820 -0.061 0.000 2.429 1119 A HA 0.437 4.757 4.320 0.000 0.000 0.289 1119 A C -1.314 176.152 177.584 -0.197 0.000 1.043 1119 A CA -0.641 51.244 52.037 -0.254 0.000 0.722 1119 A CB 1.237 20.044 19.000 -0.322 0.000 1.243 1119 A HN 0.511 nan 8.150 nan 0.000 0.415 1120 Q N 1.631 121.321 119.800 -0.183 0.000 2.368 1120 Q HA 0.566 4.906 4.340 0.000 0.000 0.256 1120 Q C 0.036 175.936 176.000 -0.168 0.000 0.980 1120 Q CA -0.451 55.266 55.803 -0.143 0.000 0.887 1120 Q CB 1.988 30.662 28.738 -0.106 0.000 1.221 1120 Q HN 0.888 nan 8.270 nan 0.000 0.458 1121 A N 4.497 127.228 122.820 -0.148 0.000 2.409 1121 A HA 0.586 4.906 4.320 0.000 0.000 0.267 1121 A C -0.328 177.209 177.584 -0.079 0.000 1.127 1121 A CA -0.007 51.905 52.037 -0.208 0.000 0.795 1121 A CB 0.146 19.078 19.000 -0.113 0.000 1.061 1121 A HN 0.768 nan 8.150 nan 0.000 0.502 1122 I N 1.049 121.551 120.570 -0.113 0.000 3.095 1122 I HA 0.367 4.537 4.170 0.000 0.000 0.310 1122 I C -0.312 175.763 176.117 -0.071 0.000 1.196 1122 I CA -0.732 60.528 61.300 -0.068 0.000 0.985 1122 I CB 2.660 40.597 38.000 -0.106 0.000 1.250 1122 I HN 0.527 nan 8.210 nan 0.000 0.446 1123 K N 2.969 123.332 120.400 -0.062 0.000 2.484 1123 K HA 0.437 4.757 4.320 0.000 0.000 0.226 1123 K C -1.066 175.362 176.600 -0.288 0.000 1.031 1123 K CA -0.491 55.726 56.287 -0.116 0.000 1.026 1123 K CB 1.599 34.112 32.500 0.022 0.000 1.412 1123 K HN 0.266 nan 8.250 nan 0.000 0.492 1124 V N 4.537 124.258 119.914 -0.322 0.000 2.599 1124 V HA -0.024 4.096 4.120 0.000 0.000 0.300 1124 V C 0.570 176.332 176.094 -0.554 0.000 1.034 1124 V CA 0.621 62.733 62.300 -0.313 0.000 1.115 1124 V CB 0.027 31.731 31.823 -0.198 0.000 0.934 1124 V HN 0.698 nan 8.190 nan 0.000 0.485 1125 H N 1.211 120.263 119.070 -0.029 0.000 3.742 1125 H HA 0.271 4.827 4.556 0.000 0.000 0.342 1125 H C 0.299 175.610 175.328 -0.030 0.000 1.682 1125 H CA -0.601 55.429 56.048 -0.031 0.000 1.177 1125 H CB 0.497 30.247 29.762 -0.020 0.000 1.602 1125 H HN 0.450 nan 8.280 nan 0.000 0.699 1126 T N 1.912 116.550 114.554 0.140 0.000 2.417 1126 T HA 0.030 4.380 4.350 0.000 0.000 0.202 1126 T C 0.429 175.148 174.700 0.033 0.000 1.204 1126 T CA 0.504 62.632 62.100 0.048 0.000 3.616 1126 T CB -1.385 67.497 68.868 0.023 0.000 0.734 1126 T HN 0.562 nan 8.240 nan 0.000 0.256 1127 A N 2.978 125.811 122.820 0.021 0.000 2.488 1127 A HA 0.609 4.929 4.320 0.000 0.000 0.249 1127 A C 0.804 178.400 177.584 0.021 0.000 1.083 1127 A CA -0.240 51.814 52.037 0.028 0.000 0.768 1127 A CB 0.225 19.247 19.000 0.037 0.000 1.017 1127 A HN 1.002 nan 8.150 nan 0.000 0.496 1128 A N 2.881 125.722 122.820 0.035 0.000 2.269 1128 A HA 0.851 5.171 4.320 0.000 0.000 0.319 1128 A C -0.031 177.582 177.584 0.047 0.000 1.110 1128 A CA -0.518 51.546 52.037 0.044 0.000 0.847 1128 A CB 0.640 19.676 19.000 0.060 0.000 1.161 1128 A HN 0.860 nan 8.150 nan 0.000 0.497 1129 M N 0.408 120.041 119.600 0.055 0.000 2.446 1129 M HA 0.446 4.926 4.480 0.000 0.000 0.294 1129 M C -1.311 175.010 176.300 0.035 0.000 1.158 1129 M CA -0.206 55.123 55.300 0.049 0.000 0.899 1129 M CB 2.707 35.337 32.600 0.050 0.000 1.687 1129 M HN 0.628 nan 8.290 nan 0.000 0.455 1130 K N 2.207 122.603 120.400 -0.005 0.000 2.656 1130 K HA 0.587 4.907 4.320 0.000 0.000 0.253 1130 K C -1.751 174.823 176.600 -0.044 0.000 1.002 1130 K CA -0.619 55.625 56.287 -0.073 0.000 0.880 1130 K CB 2.697 35.060 32.500 -0.228 0.000 1.232 1130 K HN 0.411 nan 8.250 nan 0.000 0.456 1131 V N 1.444 121.349 119.914 -0.015 0.000 2.407 1131 V HA 0.386 4.506 4.120 0.000 0.000 0.291 1131 V C 0.473 176.568 176.094 0.002 0.000 1.018 1131 V CA -0.913 61.387 62.300 -0.001 0.000 0.842 1131 V CB 1.772 33.609 31.823 0.024 0.000 0.996 1131 V HN 0.908 nan 8.190 nan 0.000 0.426 1132 G N 5.812 114.607 108.800 -0.008 0.000 2.605 1132 G HA2 0.427 4.387 3.960 0.000 0.000 0.301 1132 G HA3 0.427 4.387 3.960 0.000 0.000 0.301 1132 G C -0.258 174.657 174.900 0.025 0.000 0.881 1132 G CA -0.196 44.908 45.100 0.006 0.000 1.553 1132 G HN 0.616 nan 8.290 nan 0.000 0.483 1133 L N 2.775 124.027 121.223 0.048 0.000 2.290 1133 L HA 0.337 4.677 4.340 0.000 0.000 0.284 1133 L C 1.101 178.027 176.870 0.093 0.000 1.078 1133 L CA -0.668 54.209 54.840 0.062 0.000 0.815 1133 L CB 1.026 43.121 42.059 0.059 0.000 1.162 1133 L HN 0.398 nan 8.230 nan 0.000 0.435 1134 R N 3.704 124.266 120.500 0.103 0.000 2.590 1134 R HA 0.460 4.800 4.340 0.000 0.000 0.274 1134 R C -0.653 175.706 176.300 0.098 0.000 1.061 1134 R CA -0.008 56.214 56.100 0.203 0.000 1.081 1134 R CB 0.688 31.096 30.300 0.180 0.000 0.984 1134 R HN 0.524 nan 8.270 nan 0.000 0.448 1135 I N 2.420 123.031 120.570 0.067 0.000 2.498 1135 I HA 0.365 4.535 4.170 0.000 0.000 0.290 1135 I C -0.805 175.198 176.117 -0.190 0.000 1.032 1135 I CA -0.950 60.281 61.300 -0.115 0.000 1.073 1135 I CB 2.180 40.139 38.000 -0.068 0.000 1.251 1135 I HN 0.215 nan 8.210 nan 0.000 0.426 1136 V N 6.378 126.069 119.914 -0.372 0.000 2.733 1136 V HA 0.360 4.480 4.120 0.000 0.000 0.306 1136 V C -1.001 174.824 176.094 -0.448 0.000 1.084 1136 V CA -0.393 61.742 62.300 -0.275 0.000 0.905 1136 V CB 2.019 33.757 31.823 -0.141 0.000 1.010 1136 V HN 0.704 nan 8.190 nan 0.000 0.424 1137 Y N 2.785 123.069 120.300 -0.026 0.000 2.898 1137 Y HA 0.548 5.098 4.550 0.000 0.000 0.249 1137 Y C 0.930 176.806 175.900 -0.039 0.000 1.108 1137 Y CA 0.206 58.281 58.100 -0.042 0.000 1.184 1137 Y CB 1.620 40.036 38.460 -0.073 0.000 1.245 1137 Y HN 0.929 nan 8.280 nan 0.000 0.611 1138 G N 0.373 109.234 108.800 0.101 0.000 2.251 1138 G HA2 -0.184 3.776 3.960 0.000 0.000 0.058 1138 G HA3 -0.184 3.776 3.960 0.000 0.000 0.058 1138 G C 0.007 174.931 174.900 0.040 0.000 0.922 1138 G CA -0.173 44.969 45.100 0.070 0.000 1.133 1138 G HN 0.017 nan 8.290 nan 0.000 0.410 1139 N N 0.957 119.676 118.700 0.032 0.000 2.373 1139 N HA 0.179 4.919 4.740 0.000 0.000 0.181 1139 N C 0.322 175.829 175.510 -0.006 0.000 1.082 1139 N CA 0.850 53.910 53.050 0.018 0.000 0.885 1139 N CB 0.366 38.868 38.487 0.026 0.000 0.977 1139 N HN 0.427 nan 8.380 nan 0.000 0.462 1140 T N 0.300 114.847 114.554 -0.012 0.000 2.909 1140 T HA 0.372 4.722 4.350 0.000 0.000 0.286 1140 T C 0.073 174.717 174.700 -0.094 0.000 1.002 1140 T CA -0.018 62.053 62.100 -0.047 0.000 1.074 1140 T CB 1.544 70.393 68.868 -0.032 0.000 0.984 1140 T HN -0.064 nan 8.240 nan 0.000 0.495 1141 T N 1.928 116.378 114.554 -0.174 0.000 3.209 1141 T HA 0.383 4.733 4.350 0.000 0.000 0.366 1141 T C -0.072 174.273 174.700 -0.592 0.000 1.293 1141 T CA -0.901 61.010 62.100 -0.315 0.000 1.417 1141 T CB 0.180 68.886 68.868 -0.270 0.000 1.013 1141 T HN 0.617 nan 8.240 nan 0.000 0.572 1142 S N 1.763 117.179 115.700 -0.473 0.000 2.525 1142 S HA 0.821 5.291 4.470 0.000 0.000 0.290 1142 S C -0.639 173.695 174.600 -0.443 0.000 1.152 1142 S CA -0.874 57.046 58.200 -0.465 0.000 1.072 1142 S CB 0.882 63.975 63.200 -0.179 0.000 1.027 1142 S HN 0.463 nan 8.310 nan 0.000 0.500 1143 F N 1.683 121.631 119.950 -0.003 0.000 2.477 1143 F HA 0.566 5.093 4.527 0.000 0.000 0.335 1143 F C -0.179 175.623 175.800 0.004 0.000 1.130 1143 F CA -0.970 57.027 58.000 -0.005 0.000 0.948 1143 F CB 1.300 40.295 39.000 -0.008 0.000 1.154 1143 F HN 0.275 nan 8.300 nan 0.000 0.439 1144 L N 3.045 124.376 121.223 0.180 0.000 2.370 1144 L HA 0.450 4.790 4.340 0.000 0.000 0.266 1144 L C -0.881 176.040 176.870 0.085 0.000 1.002 1144 L CA -1.034 53.873 54.840 0.111 0.000 0.818 1144 L CB 2.331 44.443 42.059 0.088 0.000 1.325 1144 L HN 0.499 nan 8.230 nan 0.000 0.418 1145 D N 3.067 123.503 120.400 0.061 0.000 2.468 1145 D HA 0.237 4.877 4.640 0.000 0.000 0.218 1145 D C -0.494 175.823 176.300 0.028 0.000 1.155 1145 D CA -0.003 54.003 54.000 0.011 0.000 0.924 1145 D CB 1.692 42.476 40.800 -0.026 0.000 1.029 1145 D HN 0.001 nan 8.370 nan 0.000 0.515 1146 V N 2.878 122.820 119.914 0.046 0.000 2.427 1146 V HA 0.154 4.274 4.120 0.000 0.000 0.286 1146 V C -0.203 175.960 176.094 0.114 0.000 1.034 1146 V CA -0.907 61.471 62.300 0.130 0.000 0.893 1146 V CB 0.709 32.603 31.823 0.119 0.000 0.982 1146 V HN 0.303 nan 8.190 nan 0.000 0.452 1147 Y N 2.805 123.118 120.300 0.021 0.000 2.442 1147 Y HA 0.214 4.764 4.550 0.000 0.000 0.330 1147 Y C 0.643 176.553 175.900 0.016 0.000 1.129 1147 Y CA -0.450 57.660 58.100 0.017 0.000 1.365 1147 Y CB 0.466 38.934 38.460 0.012 0.000 1.233 1147 Y HN 0.352 nan 8.280 nan 0.000 0.529 1148 V N 5.196 125.197 119.914 0.144 0.000 2.326 1148 V HA 0.191 4.311 4.120 0.000 0.000 0.249 1148 V C 0.013 176.154 176.094 0.078 0.000 1.114 1148 V CA -0.015 62.338 62.300 0.089 0.000 1.028 1148 V CB -1.068 30.790 31.823 0.059 0.000 1.170 1148 V HN 0.766 nan 8.190 nan 0.000 0.494 1149 N N 2.899 121.640 118.700 0.068 0.000 2.935 1149 N HA 0.287 5.027 4.740 0.000 0.000 0.248 1149 N C 0.496 176.019 175.510 0.022 0.000 1.276 1149 N CA 0.051 53.124 53.050 0.038 0.000 0.906 1149 N CB 2.171 40.682 38.487 0.039 0.000 1.564 1149 N HN 0.356 nan 8.380 nan 0.000 0.500 1150 G N -0.019 108.785 108.800 0.007 0.000 3.262 1150 G HA2 0.217 4.177 3.960 0.000 0.000 0.228 1150 G HA3 0.217 4.177 3.960 0.000 0.000 0.228 1150 G C 0.694 175.590 174.900 -0.007 0.000 1.197 1150 G CA 0.323 45.423 45.100 0.001 0.000 0.819 1150 G HN 0.316 nan 8.290 nan 0.000 0.531 1151 V N -0.538 119.368 119.914 -0.013 0.000 3.013 1151 V HA 0.100 4.220 4.120 0.000 0.000 0.238 1151 V C 1.269 177.338 176.094 -0.041 0.000 1.161 1151 V CA 0.865 63.148 62.300 -0.028 0.000 1.170 1151 V CB 0.283 32.084 31.823 -0.036 0.000 0.917 1151 V HN 0.149 nan 8.190 nan 0.000 0.478 1152 T N 4.530 119.055 114.554 -0.048 0.000 2.747 1152 T HA 0.328 4.678 4.350 0.000 0.000 0.301 1152 T C -2.007 172.680 174.700 -0.022 0.000 0.952 1152 T CA -0.670 61.385 62.100 -0.074 0.000 0.983 1152 T CB 1.165 69.932 68.868 -0.168 0.000 0.930 1152 T HN 0.333 nan 8.240 nan 0.000 0.494 1153 P HA 0.502 nan 4.420 nan 0.000 0.289 1153 P C 0.277 177.589 177.300 0.019 0.000 1.299 1153 P CA -0.351 62.751 63.100 0.005 0.000 0.766 1153 P CB 0.950 32.648 31.700 -0.004 0.000 1.226 1154 G N -1.875 106.943 108.800 0.030 0.000 3.209 1154 G HA2 0.593 4.553 3.960 0.000 0.000 0.236 1154 G HA3 0.593 4.553 3.960 0.000 0.000 0.236 1154 G C -0.284 174.635 174.900 0.032 0.000 1.329 1154 G CA -0.109 45.016 45.100 0.042 0.000 1.015 1154 G HN 0.441 nan 8.290 nan 0.000 0.571 1155 T N -1.573 113.004 114.554 0.037 0.000 3.689 1155 T HA 0.123 4.473 4.350 0.000 0.000 0.293 1155 T C 2.089 176.807 174.700 0.031 0.000 0.955 1155 T CA 1.528 63.645 62.100 0.028 0.000 1.130 1155 T CB -0.652 68.229 68.868 0.023 0.000 1.138 1155 T HN 1.530 nan 8.240 nan 0.000 0.477 1156 S N 3.293 119.015 115.700 0.037 0.000 4.155 1156 S HA -0.389 4.081 4.470 0.000 0.000 0.538 1156 S C 0.681 175.294 174.600 0.022 0.000 1.284 1156 S CA 2.247 60.468 58.200 0.034 0.000 3.676 1156 S CB -1.506 61.728 63.200 0.057 0.000 1.966 1156 S HN 0.881 nan 8.310 nan 0.000 0.455 1157 K N 1.804 122.223 120.400 0.032 0.000 2.961 1157 K HA 0.527 4.847 4.320 0.000 0.000 0.187 1157 K C -0.796 175.808 176.600 0.007 0.000 1.110 1157 K CA 0.064 56.363 56.287 0.020 0.000 0.968 1157 K CB 0.255 32.776 32.500 0.035 0.000 1.287 1157 K HN 0.385 nan 8.250 nan 0.000 0.578 1158 D N 1.142 121.545 120.400 0.004 0.000 2.983 1158 D HA -0.171 4.469 4.640 0.000 0.000 0.225 1158 D C -0.486 175.807 176.300 -0.012 0.000 1.174 1158 D CA 1.000 54.998 54.000 -0.004 0.000 0.831 1158 D CB -0.678 40.117 40.800 -0.009 0.000 1.104 1158 D HN 0.503 nan 8.370 nan 0.000 0.421 1159 L N -0.163 121.058 121.223 -0.003 0.000 2.354 1159 L HA 0.367 4.707 4.340 0.000 0.000 0.269 1159 L C 0.797 177.674 176.870 0.011 0.000 1.005 1159 L CA -0.820 54.014 54.840 -0.011 0.000 0.819 1159 L CB 1.937 43.982 42.059 -0.023 0.000 1.311 1159 L HN -0.338 nan 8.230 nan 0.000 0.423 1160 K N 2.429 122.833 120.400 0.006 0.000 2.180 1160 K HA 0.291 4.611 4.320 0.000 0.000 0.250 1160 K C -0.882 175.736 176.600 0.030 0.000 1.135 1160 K CA -0.342 55.955 56.287 0.015 0.000 1.037 1160 K CB 0.700 33.203 32.500 0.006 0.000 1.624 1160 K HN 0.263 nan 8.250 nan 0.000 0.382 1161 V N 4.830 124.774 119.914 0.049 0.000 2.427 1161 V HA 0.188 4.308 4.120 0.000 0.000 0.268 1161 V C 0.385 176.512 176.094 0.056 0.000 1.046 1161 V CA -0.237 62.105 62.300 0.069 0.000 0.970 1161 V CB 0.236 32.116 31.823 0.096 0.000 1.001 1161 V HN 0.511 nan 8.190 nan 0.000 0.476 1162 I N 3.837 124.437 120.570 0.050 0.000 2.377 1162 I HA 0.450 4.620 4.170 0.000 0.000 0.293 1162 I C 1.227 177.370 176.117 0.043 0.000 0.987 1162 I CA -0.445 60.879 61.300 0.040 0.000 1.185 1162 I CB 1.853 39.869 38.000 0.026 0.000 1.341 1162 I HN 0.662 nan 8.210 nan 0.000 0.455 1163 A N 4.800 127.648 122.820 0.047 0.000 1.854 1163 A HA 0.373 4.693 4.320 0.000 0.000 0.214 1163 A C 1.201 178.801 177.584 0.027 0.000 1.192 1163 A CA 1.014 53.078 52.037 0.044 0.000 0.611 1163 A CB -0.721 18.317 19.000 0.063 0.000 0.832 1163 A HN 1.189 nan 8.150 nan 0.000 0.442 1164 G N -0.908 107.906 108.800 0.024 0.000 2.862 1164 G HA2 -0.020 3.940 3.960 0.000 0.000 0.686 1164 G HA3 -0.020 3.940 3.960 0.000 0.000 0.686 1164 G C -2.750 172.154 174.900 0.007 0.000 1.134 1164 G CA -0.306 44.800 45.100 0.011 0.000 0.791 1164 G HN 0.481 nan 8.290 nan 0.000 0.592 1165 P HA 0.343 nan 4.420 nan 0.000 0.271 1165 P C 0.694 177.984 177.300 -0.016 0.000 1.220 1165 P CA -0.052 63.043 63.100 -0.009 0.000 0.768 1165 P CB 0.674 32.364 31.700 -0.018 0.000 0.848 1166 I N 2.222 122.781 120.570 -0.018 0.000 2.754 1166 I HA -0.058 4.112 4.170 0.000 0.000 0.285 1166 I C 1.986 178.080 176.117 -0.037 0.000 1.166 1166 I CA 0.155 61.443 61.300 -0.019 0.000 1.417 1166 I CB 0.353 38.349 38.000 -0.006 0.000 1.382 1166 I HN 0.389 nan 8.210 nan 0.000 0.588 1167 S N 3.142 118.827 115.700 -0.024 0.000 2.522 1167 S HA 0.123 4.593 4.470 0.000 0.000 0.227 1167 S C 0.815 175.388 174.600 -0.045 0.000 0.986 1167 S CA 0.020 58.202 58.200 -0.031 0.000 0.929 1167 S CB -0.018 63.178 63.200 -0.007 0.000 0.769 1167 S HN 0.704 nan 8.310 nan 0.000 0.529 1168 A N 2.133 124.934 122.820 -0.030 0.000 2.260 1168 A HA 0.603 4.923 4.320 0.000 0.000 0.312 1168 A C 0.684 178.127 177.584 -0.236 0.000 1.321 1168 A CA -0.413 51.614 52.037 -0.017 0.000 0.928 1168 A CB 0.426 19.517 19.000 0.150 0.000 1.158 1168 A HN 0.506 nan 8.150 nan 0.000 0.542 1169 S N 1.823 117.220 115.700 -0.504 0.000 2.526 1169 S HA 0.371 4.841 4.470 0.000 0.000 0.247 1169 S C -0.505 173.733 174.600 -0.604 0.000 1.076 1169 S CA -0.390 57.516 58.200 -0.490 0.000 1.105 1169 S CB -0.843 62.114 63.200 -0.404 0.000 0.793 1169 S HN 0.409 nan 8.310 nan 0.000 0.458 1170 F N 2.085 121.843 119.950 -0.320 0.000 2.404 1170 F HA 0.425 4.952 4.527 0.000 0.000 0.358 1170 F C 0.839 176.409 175.800 -0.382 0.000 1.120 1170 F CA -0.486 57.341 58.000 -0.289 0.000 1.144 1170 F CB 1.055 39.925 39.000 -0.216 0.000 1.133 1170 F HN -0.005 nan 8.300 nan 0.000 0.495 1171 T N 4.891 119.402 114.554 -0.071 0.000 2.824 1171 T HA 0.242 4.592 4.350 0.000 0.000 0.280 1171 T C -1.358 173.301 174.700 -0.068 0.000 0.995 1171 T CA -1.115 60.940 62.100 -0.074 0.000 1.009 1171 T CB 1.753 70.606 68.868 -0.025 0.000 0.955 1171 T HN 0.400 nan 8.240 nan 0.000 0.452 1172 P HA 0.077 nan 4.420 nan 0.000 0.229 1172 P C -0.263 176.784 177.300 -0.423 0.000 1.160 1172 P CA 0.426 63.317 63.100 -0.348 0.000 0.777 1172 P CB 0.149 31.524 31.700 -0.541 0.000 0.814 1173 F N 0.329 120.278 119.950 -0.003 0.000 2.420 1173 F HA 0.288 4.815 4.527 0.000 0.000 0.342 1173 F C 1.322 177.075 175.800 -0.079 0.000 1.113 1173 F CA -0.988 56.986 58.000 -0.043 0.000 1.059 1173 F CB 0.742 39.706 39.000 -0.061 0.000 1.128 1173 F HN -0.249 nan 8.300 nan 0.000 0.475 1174 D N 0.574 121.028 120.400 0.090 0.000 2.261 1174 D HA 0.058 4.698 4.640 0.000 0.000 0.289 1174 D C 1.697 177.909 176.300 -0.147 0.000 1.162 1174 D CA 0.189 54.166 54.000 -0.038 0.000 1.089 1174 D CB 0.197 41.039 40.800 0.070 0.000 1.162 1174 D HN 0.487 nan 8.370 nan 0.000 0.521 1175 H N -0.351 118.713 119.070 -0.010 0.000 2.428 1175 H HA 0.139 4.695 4.556 0.000 0.000 0.296 1175 H C 0.195 175.430 175.328 -0.155 0.000 1.062 1175 H CA 0.894 56.884 56.048 -0.097 0.000 1.350 1175 H CB 0.549 30.314 29.762 0.006 0.000 1.403 1175 H HN 0.038 nan 8.280 nan 0.000 0.533 1176 K N 0.945 121.377 120.400 0.053 0.000 2.482 1176 K HA 0.488 4.808 4.320 0.000 0.000 0.251 1176 K C -1.360 175.221 176.600 -0.032 0.000 0.936 1176 K CA -0.436 55.848 56.287 -0.005 0.000 0.791 1176 K CB 3.595 36.127 32.500 0.054 0.000 1.213 1176 K HN -0.214 nan 8.250 nan 0.000 0.428 1177 V N 3.253 123.103 119.914 -0.107 0.000 2.524 1177 V HA 0.304 4.424 4.120 0.000 0.000 0.297 1177 V C -0.637 175.345 176.094 -0.186 0.000 1.035 1177 V CA -0.898 61.321 62.300 -0.135 0.000 0.867 1177 V CB 1.863 33.588 31.823 -0.162 0.000 1.004 1177 V HN 0.484 nan 8.190 nan 0.000 0.426 1178 V N 5.987 125.782 119.914 -0.199 0.000 2.547 1178 V HA 0.538 4.658 4.120 0.000 0.000 0.299 1178 V C 0.070 176.164 176.094 0.001 0.000 1.040 1178 V CA -0.603 61.592 62.300 -0.174 0.000 0.913 1178 V CB 2.078 33.751 31.823 -0.251 0.000 0.992 1178 V HN 0.660 nan 8.190 nan 0.000 0.449 1179 I N 3.771 124.317 120.570 -0.039 0.000 2.499 1179 I HA 0.436 4.606 4.170 0.000 0.000 0.296 1179 I C -0.218 175.908 176.117 0.014 0.000 0.992 1179 I CA -0.352 60.963 61.300 0.025 0.000 1.297 1179 I CB 0.696 38.668 38.000 -0.047 0.000 1.410 1179 I HN 0.567 nan 8.210 nan 0.000 0.507 1180 H N 6.325 125.495 119.070 0.166 0.000 3.240 1180 H HA 0.378 4.934 4.556 0.000 0.000 0.326 1180 H C 0.030 175.454 175.328 0.159 0.000 1.015 1180 H CA -0.492 55.691 56.048 0.226 0.000 1.504 1180 H CB 1.503 31.529 29.762 0.441 0.000 1.754 1180 H HN 0.685 nan 8.280 nan 0.000 0.505 1181 R N 1.837 122.439 120.500 0.169 0.000 1.368 1181 R HA -0.243 4.097 4.340 0.000 0.000 0.041 1181 R C 0.798 177.144 176.300 0.075 0.000 0.958 1181 R CA 2.067 58.235 56.100 0.113 0.000 1.925 1181 R CB -1.404 28.976 30.300 0.134 0.000 0.221 1181 R HN 0.756 nan 8.270 nan 0.000 0.717 1182 G N 0.129 108.975 108.800 0.077 0.000 5.414 1182 G HA2 0.495 4.455 3.960 0.000 0.000 0.202 1182 G HA3 0.495 4.455 3.960 0.000 0.000 0.202 1182 G C -0.594 174.307 174.900 0.002 0.000 0.727 1182 G CA -0.490 44.628 45.100 0.030 0.000 0.670 1182 G HN 0.027 nan 8.290 nan 0.000 0.442 1183 L N -0.372 120.850 121.223 -0.001 0.000 2.303 1183 L HA 0.808 5.148 4.340 0.000 0.000 0.256 1183 L C -0.708 176.032 176.870 -0.217 0.000 1.034 1183 L CA -1.483 53.262 54.840 -0.158 0.000 0.832 1183 L CB 2.691 44.588 42.059 -0.271 0.000 1.403 1183 L HN -0.135 nan 8.230 nan 0.000 0.419 1184 V N 0.825 120.501 119.914 -0.397 0.000 2.482 1184 V HA 0.445 4.565 4.120 0.000 0.000 0.295 1184 V C -1.280 174.574 176.094 -0.400 0.000 1.026 1184 V CA -0.579 61.565 62.300 -0.261 0.000 0.856 1184 V CB 1.371 33.164 31.823 -0.050 0.000 1.001 1184 V HN 0.434 nan 8.190 nan 0.000 0.424 1185 Y N 2.130 122.286 120.300 -0.241 0.000 2.587 1185 Y HA 0.553 5.103 4.550 0.000 0.000 0.337 1185 Y C 0.548 176.222 175.900 -0.376 0.000 1.065 1185 Y CA -1.334 56.529 58.100 -0.396 0.000 1.126 1185 Y CB 1.299 39.230 38.460 -0.882 0.000 1.279 1185 Y HN 0.437 nan 8.280 nan 0.000 0.489 1186 N N 1.598 120.273 118.700 -0.041 0.000 2.589 1186 N HA 0.205 4.945 4.740 0.000 0.000 0.232 1186 N C -1.506 174.097 175.510 0.157 0.000 1.015 1186 N CA -0.228 52.851 53.050 0.048 0.000 0.931 1186 N CB 0.002 38.554 38.487 0.109 0.000 1.150 1186 N HN 0.601 nan 8.380 nan 0.000 0.512 1187 Y N -0.275 120.054 120.300 0.048 0.000 2.457 1187 Y HA 0.216 4.766 4.550 0.000 0.000 0.333 1187 Y C 0.661 176.579 175.900 0.029 0.000 1.119 1187 Y CA -0.972 57.119 58.100 -0.016 0.000 1.143 1187 Y CB 1.934 40.279 38.460 -0.193 0.000 1.230 1187 Y HN 0.233 nan 8.280 nan 0.000 0.469 1188 D N 3.020 123.548 120.400 0.213 0.000 3.133 1188 D HA 0.148 4.788 4.640 0.000 0.000 0.288 1188 D C -0.847 175.540 176.300 0.144 0.000 1.346 1188 D CA -0.132 53.971 54.000 0.173 0.000 0.934 1188 D CB -0.207 40.692 40.800 0.166 0.000 1.042 1188 D HN 0.216 nan 8.370 nan 0.000 0.506 1189 F N 2.421 122.280 119.950 -0.152 0.000 2.563 1189 F HA 0.143 4.670 4.527 0.000 0.000 0.363 1189 F C -1.087 174.724 175.800 0.017 0.000 1.123 1189 F CA -1.682 56.232 58.000 -0.142 0.000 1.307 1189 F CB 0.046 38.969 39.000 -0.127 0.000 1.115 1189 F HN 0.128 nan 8.300 nan 0.000 0.592 1190 P HA 0.017 nan 4.420 nan 0.000 0.271 1190 P C -0.713 176.701 177.300 0.191 0.000 1.233 1190 P CA -0.306 62.865 63.100 0.118 0.000 0.789 1190 P CB 0.580 32.317 31.700 0.061 0.000 0.951 1191 E N 0.106 120.421 120.200 0.192 0.000 2.373 1191 E HA 0.048 4.398 4.350 0.000 0.000 0.267 1191 E C -0.401 176.385 176.600 0.310 0.000 1.032 1191 E CA -0.162 56.402 56.400 0.274 0.000 0.889 1191 E CB 0.068 29.873 29.700 0.175 0.000 0.984 1191 E HN 0.332 nan 8.360 nan 0.000 0.425 1192 Y N 0.839 121.181 120.300 0.071 0.000 2.713 1192 Y HA 0.139 4.689 4.550 0.000 0.000 0.341 1192 Y C 1.481 177.448 175.900 0.112 0.000 1.167 1192 Y CA 0.726 58.883 58.100 0.096 0.000 1.503 1192 Y CB 0.006 38.394 38.460 -0.121 0.000 1.199 1192 Y HN 0.825 nan 8.280 nan 0.000 0.525 1193 G N 1.847 110.803 108.800 0.259 0.000 2.131 1193 G HA2 -0.054 3.906 3.960 0.000 0.000 0.223 1193 G HA3 -0.054 3.906 3.960 0.000 0.000 0.223 1193 G C 0.343 175.316 174.900 0.122 0.000 0.990 1193 G CA -0.010 45.194 45.100 0.173 0.000 0.671 1193 G HN 1.224 nan 8.290 nan 0.000 0.521 1194 A N -0.207 122.687 122.820 0.123 0.000 2.676 1194 A HA 0.739 5.059 4.320 0.000 0.000 0.258 1194 A C 0.639 178.269 177.584 0.077 0.000 0.898 1194 A CA 0.150 52.241 52.037 0.090 0.000 1.087 1194 A CB 0.025 19.080 19.000 0.091 0.000 1.214 1194 A HN 0.427 nan 8.150 nan 0.000 0.474 1195 M N 0.608 120.251 119.600 0.071 0.000 2.232 1195 M HA 0.270 4.750 4.480 0.000 0.000 0.321 1195 M C 0.088 176.407 176.300 0.031 0.000 1.101 1195 M CA 1.012 56.342 55.300 0.050 0.000 1.181 1195 M CB 0.556 33.180 32.600 0.040 0.000 1.432 1195 M HN 0.273 nan 8.290 nan 0.000 0.457 1196 K N 1.513 121.925 120.400 0.020 0.000 2.532 1196 K HA 0.342 4.662 4.320 0.000 0.000 0.265 1196 K C -2.149 174.444 176.600 -0.011 0.000 0.948 1196 K CA -1.530 54.762 56.287 0.008 0.000 0.842 1196 K CB 1.963 34.472 32.500 0.015 0.000 1.392 1196 K HN 0.315 nan 8.250 nan 0.000 0.436 1197 P HA -0.035 nan 4.420 nan 0.000 0.251 1197 P C 0.518 177.775 177.300 -0.073 0.000 1.251 1197 P CA 0.430 63.500 63.100 -0.051 0.000 0.763 1197 P CB -0.122 31.550 31.700 -0.046 0.000 1.067 1198 G N -0.054 108.719 108.800 -0.045 0.000 3.210 1198 G HA2 0.339 4.299 3.960 0.000 0.000 0.220 1198 G HA3 0.339 4.299 3.960 0.000 0.000 0.220 1198 G C 0.587 175.461 174.900 -0.043 0.000 1.200 1198 G CA 0.472 45.545 45.100 -0.046 0.000 0.834 1198 G HN 0.577 nan 8.290 nan 0.000 0.524 1199 A N -1.207 121.565 122.820 -0.081 0.000 6.624 1199 A HA -0.042 4.278 4.320 0.000 0.000 0.226 1199 A C 0.788 178.486 177.584 0.190 0.000 2.318 1199 A CA 0.390 52.389 52.037 -0.062 0.000 0.686 1199 A CB -1.585 17.239 19.000 -0.294 0.000 0.893 1199 A HN 1.347 nan 8.150 nan 0.000 0.362 1200 F N -1.979 118.103 119.950 0.220 0.000 3.074 1200 F HA -0.089 4.438 4.527 0.000 0.000 0.289 1200 F C 1.194 176.606 175.800 -0.648 0.000 0.863 1200 F CA 1.270 59.028 58.000 -0.404 0.000 1.121 1200 F CB -0.917 37.704 39.000 -0.632 0.000 1.169 1200 F HN 2.407 nan 8.300 nan 0.000 0.570 1201 G N 0.579 109.368 108.800 -0.018 0.000 2.927 1201 G HA2 0.115 4.075 3.960 0.000 0.000 0.234 1201 G HA3 0.115 4.075 3.960 0.000 0.000 0.234 1201 G C -0.390 174.590 174.900 0.132 0.000 3.444 1201 G CA -0.166 44.983 45.100 0.083 0.000 0.715 1201 G HN 0.302 nan 8.290 nan 0.000 0.422 1202 D N 0.398 120.952 120.400 0.255 0.000 1.989 1202 D HA 0.158 4.798 4.640 0.000 0.000 0.259 1202 D C 1.431 177.809 176.300 0.130 0.000 0.992 1202 D CA 0.781 54.905 54.000 0.207 0.000 0.912 1202 D CB 0.308 41.361 40.800 0.422 0.000 1.083 1202 D HN 0.391 nan 8.370 nan 0.000 0.441 1203 I N 1.417 122.055 120.570 0.113 0.000 2.317 1203 I HA 0.147 4.317 4.170 0.000 0.000 0.286 1203 I C -0.306 175.823 176.117 0.020 0.000 1.119 1203 I CA -0.350 60.843 61.300 -0.177 0.000 1.228 1203 I CB 0.088 37.622 38.000 -0.776 0.000 1.476 1203 I HN 0.060 nan 8.210 nan 0.000 0.514 1204 Q N 3.659 123.405 119.800 -0.090 0.000 2.373 1204 Q HA 0.633 4.973 4.340 0.000 0.000 0.255 1204 Q C -0.064 175.622 176.000 -0.524 0.000 0.980 1204 Q CA -0.282 55.339 55.803 -0.303 0.000 0.882 1204 Q CB 1.781 30.183 28.738 -0.560 0.000 1.249 1204 Q HN 0.748 nan 8.270 nan 0.000 0.438 1205 A N 1.150 123.700 122.820 -0.450 0.000 2.479 1205 A HA 0.456 4.776 4.320 0.000 0.000 0.296 1205 A C 0.516 178.019 177.584 -0.134 0.000 1.121 1205 A CA -0.632 51.233 52.037 -0.287 0.000 0.743 1205 A CB 1.434 20.372 19.000 -0.103 0.000 1.323 1205 A HN 0.717 nan 8.150 nan 0.000 0.415 1206 T N 0.771 115.357 114.554 0.054 0.000 2.701 1206 T HA 0.041 4.391 4.350 0.000 0.000 0.263 1206 T C 1.112 175.880 174.700 0.113 0.000 1.040 1206 T CA 2.071 64.295 62.100 0.207 0.000 1.147 1206 T CB -0.290 68.677 68.868 0.165 0.000 0.865 1206 T HN 1.187 nan 8.240 nan 0.000 0.426 1207 S N -1.142 114.579 115.700 0.035 0.000 3.121 1207 S HA 0.504 4.974 4.470 0.000 0.000 0.324 1207 S C 0.840 175.413 174.600 -0.044 0.000 1.192 1207 S CA -0.840 57.358 58.200 -0.003 0.000 0.937 1207 S CB 0.536 63.747 63.200 0.018 0.000 1.336 1207 S HN 0.093 nan 8.310 nan 0.000 0.664 1208 L N 0.568 121.775 121.223 -0.026 0.000 2.131 1208 L HA 0.170 4.510 4.340 0.000 0.000 0.206 1208 L C 0.709 177.605 176.870 0.043 0.000 1.087 1208 L CA 1.014 55.857 54.840 0.004 0.000 0.767 1208 L CB -0.407 41.672 42.059 0.032 0.000 0.917 1208 L HN 0.681 nan 8.230 nan 0.000 0.441 1209 T N 0.214 114.788 114.554 0.033 0.000 3.427 1209 T HA 0.228 4.578 4.350 0.000 0.000 0.306 1209 T C 0.271 174.992 174.700 0.034 0.000 1.733 1209 T CA -0.329 61.794 62.100 0.038 0.000 1.599 1209 T CB 0.397 69.285 68.868 0.034 0.000 0.964 1209 T HN 0.239 nan 8.240 nan 0.000 0.701 1210 S N 0.946 116.666 115.700 0.034 0.000 2.719 1210 S HA 0.650 5.120 4.470 0.000 0.000 0.285 1210 S C 0.227 174.846 174.600 0.033 0.000 1.137 1210 S CA -0.805 57.414 58.200 0.032 0.000 1.012 1210 S CB 1.724 64.940 63.200 0.026 0.000 1.134 1210 S HN 0.362 nan 8.310 nan 0.000 0.544 1211 K N -0.364 120.054 120.400 0.031 0.000 3.017 1211 K HA 0.282 4.602 4.320 0.000 0.000 0.178 1211 K C -1.716 174.898 176.600 0.024 0.000 1.103 1211 K CA -0.058 56.247 56.287 0.030 0.000 1.084 1211 K CB 0.508 33.026 32.500 0.030 0.000 0.711 1211 K HN 0.542 nan 8.250 nan 0.000 0.416 1212 D N 1.400 121.812 120.400 0.020 0.000 2.478 1212 D HA 0.313 4.953 4.640 0.000 0.000 0.240 1212 D C -1.000 175.298 176.300 -0.003 0.000 1.364 1212 D CA -0.219 53.790 54.000 0.016 0.000 0.987 1212 D CB 1.287 42.106 40.800 0.033 0.000 1.328 1212 D HN 0.050 nan 8.370 nan 0.000 0.584 1213 L N 2.311 123.522 121.223 -0.020 0.000 2.313 1213 L HA 0.702 5.042 4.340 0.000 0.000 0.268 1213 L C -0.068 176.771 176.870 -0.051 0.000 1.010 1213 L CA -0.897 53.908 54.840 -0.059 0.000 0.814 1213 L CB 2.031 44.041 42.059 -0.082 0.000 1.304 1213 L HN 0.217 nan 8.230 nan 0.000 0.441 1214 I N 0.802 121.325 120.570 -0.079 0.000 2.722 1214 I HA 0.761 4.931 4.170 0.000 0.000 0.292 1214 I C -0.674 175.401 176.117 -0.071 0.000 1.267 1214 I CA -0.338 60.936 61.300 -0.043 0.000 1.036 1214 I CB 2.136 40.142 38.000 0.011 0.000 1.281 1214 I HN 0.762 nan 8.210 nan 0.000 0.423 1215 A N 3.525 126.314 122.820 -0.052 0.000 2.483 1215 A HA 0.876 5.196 4.320 0.000 0.000 0.294 1215 A C -1.366 176.197 177.584 -0.034 0.000 1.077 1215 A CA -0.378 51.624 52.037 -0.060 0.000 0.633 1215 A CB 1.761 20.683 19.000 -0.131 0.000 1.318 1215 A HN 0.871 nan 8.150 nan 0.000 0.455 1216 S N -0.691 114.989 115.700 -0.033 0.000 2.548 1216 S HA 0.385 4.855 4.470 0.000 0.000 0.168 1216 S C -0.479 174.105 174.600 -0.027 0.000 1.068 1216 S CA 0.269 58.457 58.200 -0.021 0.000 1.129 1216 S CB 0.025 63.224 63.200 -0.002 0.000 1.435 1216 S HN 1.019 nan 8.310 nan 0.000 0.410 1217 T N 1.096 115.627 114.554 -0.038 0.000 3.330 1217 T HA 0.242 4.592 4.350 0.000 0.000 0.249 1217 T C 0.117 174.798 174.700 -0.031 0.000 0.980 1217 T CA -0.033 62.046 62.100 -0.035 0.000 0.920 1217 T CB -0.746 68.103 68.868 -0.032 0.000 1.065 1217 T HN 0.717 nan 8.240 nan 0.000 0.588 1218 D N 1.064 121.448 120.400 -0.027 0.000 2.708 1218 D HA -0.154 4.486 4.640 0.000 0.000 0.236 1218 D C -0.300 175.984 176.300 -0.027 0.000 1.146 1218 D CA 0.316 54.301 54.000 -0.024 0.000 0.662 1218 D CB -1.572 39.212 40.800 -0.027 0.000 1.059 1218 D HN 0.551 nan 8.370 nan 0.000 0.428 1219 I N 0.555 121.104 120.570 -0.035 0.000 2.496 1219 I HA 0.191 4.361 4.170 0.000 0.000 0.285 1219 I C 1.007 177.085 176.117 -0.066 0.000 1.080 1219 I CA 0.166 61.431 61.300 -0.057 0.000 1.404 1219 I CB 0.801 38.753 38.000 -0.080 0.000 1.403 1219 I HN -0.089 nan 8.210 nan 0.000 0.539 1220 R N 6.498 126.953 120.500 -0.075 0.000 2.538 1220 R HA 0.532 4.872 4.340 0.000 0.000 0.292 1220 R C -1.307 174.949 176.300 -0.073 0.000 1.008 1220 R CA -0.890 55.178 56.100 -0.052 0.000 0.896 1220 R CB 2.108 32.406 30.300 -0.003 0.000 1.187 1220 R HN 0.511 nan 8.270 nan 0.000 0.440 1221 L N 4.658 125.851 121.223 -0.049 0.000 2.349 1221 L HA 0.422 4.762 4.340 0.000 0.000 0.275 1221 L C -0.194 176.839 176.870 0.271 0.000 1.115 1221 L CA -0.353 54.539 54.840 0.086 0.000 0.820 1221 L CB 0.439 42.634 42.059 0.227 0.000 1.135 1221 L HN 0.387 nan 8.230 nan 0.000 0.445 1222 L N 3.249 124.657 121.223 0.309 0.000 2.346 1222 L HA 0.434 4.774 4.340 0.000 0.000 0.274 1222 L C -0.062 176.580 176.870 -0.380 0.000 1.007 1222 L CA -0.944 53.898 54.840 0.003 0.000 0.818 1222 L CB 1.906 43.984 42.059 0.032 0.000 1.284 1222 L HN 0.529 nan 8.230 nan 0.000 0.424 1223 K N 3.779 123.808 120.400 -0.619 0.000 2.378 1223 K HA 0.203 4.523 4.320 0.000 0.000 0.288 1223 K C -2.101 174.225 176.600 -0.457 0.000 1.057 1223 K CA -1.321 54.434 56.287 -0.885 0.000 0.971 1223 K CB 0.124 32.264 32.500 -0.600 0.000 0.975 1223 K HN 0.341 nan 8.250 nan 0.000 0.475 1224 P HA -0.007 nan 4.420 nan 0.000 0.272 1224 P C -0.682 176.485 177.300 -0.222 0.000 1.240 1224 P CA -0.468 62.493 63.100 -0.232 0.000 0.791 1224 P CB 0.870 32.469 31.700 -0.168 0.000 0.978 1225 S N -0.644 114.973 115.700 -0.139 0.000 2.578 1225 S HA 0.592 5.062 4.470 0.000 0.000 0.283 1225 S C 0.160 174.702 174.600 -0.096 0.000 1.195 1225 S CA -0.927 57.206 58.200 -0.112 0.000 1.050 1225 S CB 1.081 64.248 63.200 -0.056 0.000 1.012 1225 S HN 0.635 nan 8.310 nan 0.000 0.511 1226 A N 2.211 124.976 122.820 -0.092 0.000 2.475 1226 A HA 0.458 4.778 4.320 0.000 0.000 0.293 1226 A C 0.716 178.364 177.584 0.108 0.000 1.252 1226 A CA -0.243 51.792 52.037 -0.004 0.000 0.920 1226 A CB -0.485 18.523 19.000 0.013 0.000 1.125 1226 A HN 0.991 nan 8.150 nan 0.000 0.528 1227 K N 1.373 121.879 120.400 0.177 0.000 3.098 1227 K HA 0.135 4.455 4.320 0.000 0.000 0.258 1227 K C -0.441 176.235 176.600 0.127 0.000 2.409 1227 K CA -0.286 56.087 56.287 0.143 0.000 1.470 1227 K CB 0.382 32.950 32.500 0.114 0.000 2.673 1227 K HN 0.637 nan 8.250 nan 0.000 0.463 1228 N N 1.227 119.993 118.700 0.111 0.000 2.229 1228 N HA 0.244 4.984 4.740 0.000 0.000 0.298 1228 N C -0.931 174.464 175.510 -0.192 0.000 1.114 1228 N CA -0.356 52.650 53.050 -0.074 0.000 0.776 1228 N CB 2.958 41.365 38.487 -0.134 0.000 1.501 1228 N HN -0.144 nan 8.380 nan 0.000 0.474 1229 V N 3.974 123.728 119.914 -0.266 0.000 2.442 1229 V HA -0.016 4.104 4.120 0.000 0.000 0.272 1229 V C 0.135 176.016 176.094 -0.355 0.000 0.989 1229 V CA 0.721 62.915 62.300 -0.177 0.000 1.123 1229 V CB -1.272 30.432 31.823 -0.199 0.000 1.008 1229 V HN 0.518 nan 8.190 nan 0.000 0.469 1230 H N 2.825 121.940 119.070 0.074 0.000 2.941 1230 H HA 0.641 5.197 4.556 0.000 0.000 0.344 1230 H C -0.724 174.568 175.328 -0.060 0.000 1.235 1230 H CA -0.882 55.159 56.048 -0.012 0.000 1.149 1230 H CB 2.473 32.214 29.762 -0.035 0.000 1.885 1230 H HN 0.260 nan 8.280 nan 0.000 0.558 1231 V N 2.785 122.696 119.914 -0.005 0.000 2.462 1231 V HA 0.168 4.288 4.120 0.000 0.000 0.257 1231 V C -2.338 173.418 176.094 -0.563 0.000 0.944 1231 V CA -1.164 60.972 62.300 -0.274 0.000 0.903 1231 V CB 0.691 32.366 31.823 -0.246 0.000 1.128 1231 V HN 0.506 nan 8.190 nan 0.000 0.486 1232 P HA 0.444 nan 4.420 nan 0.000 0.282 1232 P C -1.217 175.900 177.300 -0.306 0.000 1.274 1232 P CA 0.021 62.922 63.100 -0.330 0.000 0.770 1232 P CB 0.812 32.409 31.700 -0.171 0.000 0.867 1233 Y N -0.186 120.110 120.300 -0.006 0.000 2.576 1233 Y HA 0.360 4.910 4.550 0.000 0.000 0.346 1233 Y C 0.705 176.598 175.900 -0.011 0.000 1.018 1233 Y CA -1.095 57.005 58.100 0.000 0.000 1.050 1233 Y CB 2.407 40.876 38.460 0.015 0.000 1.280 1233 Y HN 0.117 nan 8.280 nan 0.000 0.474 1234 T N 2.600 117.259 114.554 0.175 0.000 3.029 1234 T HA 0.271 4.621 4.350 0.000 0.000 0.346 1234 T C -0.572 174.160 174.700 0.054 0.000 1.211 1234 T CA -0.631 61.515 62.100 0.077 0.000 1.009 1234 T CB 0.026 68.919 68.868 0.042 0.000 1.084 1234 T HN 0.430 nan 8.240 nan 0.000 0.536 1235 Q N 1.553 121.385 119.800 0.052 0.000 2.227 1235 Q HA 0.701 5.041 4.340 0.000 0.000 0.245 1235 Q C -0.028 175.975 176.000 0.005 0.000 0.926 1235 Q CA -0.665 55.156 55.803 0.029 0.000 0.895 1235 Q CB 1.215 29.981 28.738 0.047 0.000 1.230 1235 Q HN 0.717 nan 8.270 nan 0.000 0.450 1236 A N 1.274 124.088 122.820 -0.010 0.000 2.366 1236 A HA 0.557 4.877 4.320 0.000 0.000 0.272 1236 A C 0.198 177.762 177.584 -0.033 0.000 1.135 1236 A CA -0.136 51.882 52.037 -0.032 0.000 0.804 1236 A CB -0.201 18.771 19.000 -0.046 0.000 1.064 1236 A HN 0.863 nan 8.150 nan 0.000 0.499 1237 S N 2.338 118.006 115.700 -0.053 0.000 2.525 1237 S HA 0.421 4.891 4.470 0.000 0.000 0.285 1237 S C 0.829 175.378 174.600 -0.085 0.000 1.283 1237 S CA 0.229 58.394 58.200 -0.058 0.000 1.072 1237 S CB -0.375 62.779 63.200 -0.077 0.000 0.867 1237 S HN 1.778 nan 8.310 nan 0.000 0.492 1238 S N 2.560 118.233 115.700 -0.044 0.000 2.573 1238 S HA 0.275 4.745 4.470 0.000 0.000 0.297 1238 S C 1.350 175.833 174.600 -0.194 0.000 1.280 1238 S CA -0.212 57.954 58.200 -0.056 0.000 1.061 1238 S CB 0.633 63.866 63.200 0.055 0.000 0.812 1238 S HN 1.108 nan 8.310 nan 0.000 0.500 1239 G N 0.914 109.493 108.800 -0.368 0.000 2.650 1239 G HA2 0.045 4.005 3.960 0.000 0.000 0.214 1239 G HA3 0.045 4.005 3.960 0.000 0.000 0.214 1239 G C 0.643 175.227 174.900 -0.528 0.000 1.136 1239 G CA -0.229 44.508 45.100 -0.605 0.000 0.789 1239 G HN 0.746 nan 8.290 nan 0.000 0.536 1240 F N 0.356 120.299 119.950 -0.013 0.000 2.661 1240 F HA 0.155 4.682 4.527 0.000 0.000 0.298 1240 F C 2.503 178.328 175.800 0.043 0.000 1.137 1240 F CA 0.502 58.568 58.000 0.110 0.000 1.454 1240 F CB 0.375 39.419 39.000 0.073 0.000 1.103 1240 F HN 0.184 nan 8.300 nan 0.000 0.577 1241 E N -0.248 120.001 120.200 0.081 0.000 2.400 1241 E HA 0.011 4.361 4.350 0.000 0.000 0.195 1241 E C 1.915 178.495 176.600 -0.034 0.000 1.012 1241 E CA 0.343 56.764 56.400 0.035 0.000 0.875 1241 E CB 0.138 29.839 29.700 0.002 0.000 0.859 1241 E HN 0.472 nan 8.360 nan 0.000 0.498 1242 M N -1.354 118.148 119.600 -0.164 0.000 2.492 1242 M HA 0.055 4.535 4.480 0.000 0.000 0.255 1242 M C 1.030 177.182 176.300 -0.247 0.000 1.139 1242 M CA 0.443 55.579 55.300 -0.273 0.000 1.096 1242 M CB 0.137 32.459 32.600 -0.464 0.000 1.360 1242 M HN 0.143 nan 8.290 nan 0.000 0.480 1243 W N 1.416 122.661 121.300 -0.092 0.000 3.077 1243 W HA -0.000 4.660 4.660 0.000 0.000 0.245 1243 W C 1.396 177.878 176.519 -0.062 0.000 1.316 1243 W CA 0.111 57.377 57.345 -0.132 0.000 1.537 1243 W CB 0.186 29.597 29.460 -0.082 0.000 1.131 1243 W HN 0.101 nan 8.180 nan 0.000 0.695 1244 K N 0.006 120.525 120.400 0.198 0.000 2.458 1244 K HA 0.043 4.363 4.320 0.000 0.000 0.194 1244 K C 0.833 177.491 176.600 0.097 0.000 1.024 1244 K CA 0.316 56.685 56.287 0.138 0.000 1.108 1244 K CB 0.106 32.673 32.500 0.112 0.000 0.846 1244 K HN 0.121 nan 8.250 nan 0.000 0.518 1245 N N 0.344 119.099 118.700 0.092 0.000 2.612 1245 N HA -0.025 4.715 4.740 0.000 0.000 0.224 1245 N C 0.812 176.377 175.510 0.091 0.000 1.051 1245 N CA 0.427 53.514 53.050 0.062 0.000 0.889 1245 N CB 0.110 38.602 38.487 0.008 0.000 1.449 1245 N HN -0.009 nan 8.380 nan 0.000 0.442 1246 N N 1.252 120.042 118.700 0.150 0.000 2.362 1246 N HA 0.043 4.783 4.740 0.000 0.000 0.204 1246 N C 1.083 176.692 175.510 0.165 0.000 1.166 1246 N CA 0.029 53.194 53.050 0.193 0.000 0.831 1246 N CB 0.039 38.712 38.487 0.310 0.000 1.008 1246 N HN 0.202 nan 8.380 nan 0.000 0.472 1247 S N -1.088 114.684 115.700 0.121 0.000 2.353 1247 S HA -0.045 4.425 4.470 0.000 0.000 0.222 1247 S C 1.547 176.226 174.600 0.132 0.000 1.035 1247 S CA 1.011 59.238 58.200 0.045 0.000 1.025 1247 S CB -0.897 62.302 63.200 -0.001 0.000 0.902 1247 S HN 0.449 nan 8.310 nan 0.000 0.440 1248 G N 2.660 111.548 108.800 0.147 0.000 2.583 1248 G HA2 -0.373 3.587 3.960 0.000 0.000 0.292 1248 G HA3 -0.373 3.587 3.960 0.000 0.000 0.292 1248 G C -0.241 174.784 174.900 0.209 0.000 1.203 1248 G CA 0.131 45.327 45.100 0.160 0.000 0.987 1248 G HN 0.801 nan 8.290 nan 0.000 0.554 1249 R N 1.965 122.579 120.500 0.191 0.000 3.924 1249 R HA 0.074 4.414 4.340 0.000 0.000 0.279 1249 R C -1.235 175.207 176.300 0.237 0.000 0.562 1249 R CA 0.426 56.630 56.100 0.174 0.000 1.007 1249 R CB 0.223 30.614 30.300 0.152 0.000 0.920 1249 R HN 0.474 nan 8.270 nan 0.000 0.332 1250 P HA -0.026 nan 4.420 nan 0.000 0.245 1250 P C 0.625 177.822 177.300 -0.172 0.000 1.203 1250 P CA 0.354 63.431 63.100 -0.039 0.000 0.792 1250 P CB 0.383 32.077 31.700 -0.010 0.000 0.997 1251 L N -2.225 118.963 121.223 -0.058 0.000 4.252 1251 L HA -0.381 3.959 4.340 0.000 0.000 0.370 1251 L C 2.354 179.181 176.870 -0.071 0.000 0.743 1251 L CA 2.138 56.941 54.840 -0.061 0.000 2.767 1251 L CB -2.003 40.019 42.059 -0.060 0.000 0.809 1251 L HN 0.061 nan 8.230 nan 0.000 0.696 1252 Q N -0.122 119.620 119.800 -0.098 0.000 2.170 1252 Q HA -0.211 4.129 4.340 0.000 0.000 0.203 1252 Q C 1.699 177.668 176.000 -0.052 0.000 0.976 1252 Q CA 2.023 57.782 55.803 -0.073 0.000 0.858 1252 Q CB -0.073 28.613 28.738 -0.088 0.000 0.907 1252 Q HN 0.647 nan 8.270 nan 0.000 0.433 1253 E N -0.300 119.873 120.200 -0.045 0.000 2.250 1253 E HA -0.017 4.333 4.350 0.000 0.000 0.192 1253 E C 0.453 177.034 176.600 -0.032 0.000 0.986 1253 E CA 0.633 57.014 56.400 -0.031 0.000 0.849 1253 E CB 0.445 30.135 29.700 -0.017 0.000 0.797 1253 E HN 0.095 nan 8.360 nan 0.000 0.482 1254 T N 1.656 116.191 114.554 -0.032 0.000 3.256 1254 T HA 0.329 4.679 4.350 0.000 0.000 0.237 1254 T C -0.085 174.589 174.700 -0.044 0.000 0.908 1254 T CA -0.242 61.838 62.100 -0.033 0.000 0.966 1254 T CB 0.185 69.043 68.868 -0.017 0.000 1.134 1254 T HN 0.068 nan 8.240 nan 0.000 0.573 1255 A N 3.913 126.704 122.820 -0.049 0.000 2.444 1255 A HA 0.430 4.750 4.320 0.000 0.000 0.273 1255 A C -1.873 175.686 177.584 -0.042 0.000 1.136 1255 A CA -1.277 50.730 52.037 -0.050 0.000 0.799 1255 A CB -0.031 18.939 19.000 -0.049 0.000 1.081 1255 A HN 0.251 nan 8.150 nan 0.000 0.509 1256 P HA 0.317 nan 4.420 nan 0.000 0.276 1256 P C -0.630 176.802 177.300 0.219 0.000 1.264 1256 P CA 0.050 63.197 63.100 0.077 0.000 0.769 1256 P CB -0.136 31.666 31.700 0.171 0.000 0.840 1257 F N 2.423 122.317 119.950 -0.094 0.000 3.056 1257 F HA -0.154 4.373 4.527 0.000 0.000 0.301 1257 F C 1.489 177.219 175.800 -0.116 0.000 0.907 1257 F CA 1.129 59.066 58.000 -0.105 0.000 1.113 1257 F CB -2.496 36.426 39.000 -0.130 0.000 1.123 1257 F HN 0.668 nan 8.300 nan 0.000 0.661 1258 G N -1.017 107.779 108.800 -0.006 0.000 2.166 1258 G HA2 -0.392 3.568 3.960 0.000 0.000 0.260 1258 G HA3 -0.392 3.568 3.960 0.000 0.000 0.260 1258 G C 0.803 175.681 174.900 -0.036 0.000 0.986 1258 G CA 0.261 45.345 45.100 -0.026 0.000 0.683 1258 G HN 1.068 nan 8.290 nan 0.000 0.527 1259 c N -0.019 118.558 118.600 -0.039 0.000 2.820 1259 c HA 0.636 5.206 4.570 0.000 0.000 0.359 1259 c C 1.088 175.145 174.090 -0.055 0.000 1.357 1259 c CA 0.487 56.772 56.329 -0.075 0.000 2.197 1259 c CB 0.248 42.701 42.510 -0.095 0.000 2.569 1259 c HN 0.594 nan 8.230 nan 0.000 0.753 1260 K N 1.125 121.496 120.400 -0.047 0.000 2.263 1260 K HA 0.793 5.113 4.320 0.000 0.000 0.249 1260 K C -1.405 175.202 176.600 0.011 0.000 1.076 1260 K CA -0.616 55.658 56.287 -0.022 0.000 0.884 1260 K CB 1.482 33.972 32.500 -0.017 0.000 1.394 1260 K HN 0.630 nan 8.250 nan 0.000 0.476 1261 I N 0.532 121.123 120.570 0.035 0.000 2.722 1261 I HA 0.349 4.519 4.170 0.000 0.000 0.292 1261 I C -1.135 175.016 176.117 0.057 0.000 1.267 1261 I CA -0.867 60.494 61.300 0.102 0.000 1.036 1261 I CB 2.207 40.275 38.000 0.113 0.000 1.281 1261 I HN 0.699 nan 8.210 nan 0.000 0.423 1262 A N 4.381 127.238 122.820 0.061 0.000 2.281 1262 A HA 0.776 5.096 4.320 0.000 0.000 0.329 1262 A C 0.482 178.058 177.584 -0.013 0.000 1.122 1262 A CA -0.424 51.621 52.037 0.013 0.000 0.850 1262 A CB 1.331 20.335 19.000 0.006 0.000 1.207 1262 A HN 0.490 nan 8.150 nan 0.000 0.495 1263 V N 0.929 120.831 119.914 -0.020 0.000 2.339 1263 V HA -0.082 4.038 4.120 0.000 0.000 0.234 1263 V C 2.100 178.171 176.094 -0.039 0.000 1.053 1263 V CA 1.475 63.758 62.300 -0.028 0.000 1.042 1263 V CB -0.982 30.832 31.823 -0.015 0.000 0.678 1263 V HN 0.883 nan 8.190 nan 0.000 0.475 1264 N N 0.997 119.679 118.700 -0.031 0.000 2.084 1264 N HA -0.093 4.647 4.740 0.000 0.000 0.190 1264 N C -0.403 175.078 175.510 -0.048 0.000 1.030 1264 N CA 2.073 55.102 53.050 -0.034 0.000 0.849 1264 N CB -1.315 37.159 38.487 -0.023 0.000 1.012 1264 N HN 0.490 nan 8.380 nan 0.000 0.423 1265 P HA 0.234 nan 4.420 nan 0.000 0.261 1265 P C -0.052 177.191 177.300 -0.095 0.000 1.268 1265 P CA 0.190 63.255 63.100 -0.059 0.000 0.833 1265 P CB 0.561 32.238 31.700 -0.038 0.000 1.231 1266 L N -1.069 120.086 121.223 -0.113 0.000 3.677 1266 L HA -0.221 4.119 4.340 0.000 0.000 0.464 1266 L C 0.334 177.100 176.870 -0.174 0.000 1.278 1266 L CA 0.353 55.067 54.840 -0.209 0.000 0.806 1266 L CB -1.763 40.084 42.059 -0.354 0.000 1.610 1266 L HN 0.184 nan 8.230 nan 0.000 0.867 1267 R N 0.404 120.903 120.500 -0.002 0.000 2.668 1267 R HA 0.802 5.142 4.340 0.000 0.000 0.279 1267 R C 0.156 176.583 176.300 0.210 0.000 0.976 1267 R CA 0.065 56.226 56.100 0.102 0.000 0.978 1267 R CB 1.565 31.891 30.300 0.044 0.000 1.133 1267 R HN 0.272 nan 8.270 nan 0.000 0.484 1268 A N 2.903 125.867 122.820 0.240 0.000 2.253 1268 A HA 0.464 4.784 4.320 0.000 0.000 0.316 1268 A C -0.698 176.929 177.584 0.072 0.000 1.327 1268 A CA -0.542 51.590 52.037 0.159 0.000 0.917 1268 A CB 0.684 19.771 19.000 0.144 0.000 1.162 1268 A HN 0.403 nan 8.150 nan 0.000 0.535 1269 V N 2.242 122.173 119.914 0.029 0.000 2.732 1269 V HA 0.379 4.499 4.120 0.000 0.000 0.310 1269 V C 0.317 176.388 176.094 -0.038 0.000 1.053 1269 V CA -0.507 61.791 62.300 -0.004 0.000 0.957 1269 V CB 1.383 33.203 31.823 -0.005 0.000 1.018 1269 V HN 0.981 nan 8.190 nan 0.000 0.452 1270 D N 0.584 120.955 120.400 -0.049 0.000 2.811 1270 D HA -0.179 4.461 4.640 0.000 0.000 0.231 1270 D C -0.089 176.143 176.300 -0.112 0.000 1.157 1270 D CA 0.731 54.691 54.000 -0.066 0.000 0.716 1270 D CB -0.808 39.961 40.800 -0.051 0.000 1.077 1270 D HN 0.654 nan 8.370 nan 0.000 0.428 1271 c N 2.072 120.563 118.600 -0.180 0.000 2.223 1271 c HA 0.413 4.983 4.570 0.000 0.000 0.324 1271 c C 1.151 174.888 174.090 -0.589 0.000 1.196 1271 c CA -0.986 55.117 56.329 -0.376 0.000 1.628 1271 c CB 0.258 42.498 42.510 -0.451 0.000 2.229 1271 c HN 0.383 nan 8.230 nan 0.000 0.486 1272 S N 3.092 118.528 115.700 -0.441 0.000 2.549 1272 S HA 0.468 4.939 4.470 0.000 0.000 0.279 1272 S C -0.425 173.818 174.600 -0.595 0.000 1.321 1272 S CA 0.148 58.126 58.200 -0.371 0.000 1.054 1272 S CB 0.769 63.875 63.200 -0.157 0.000 0.899 1272 S HN 0.774 nan 8.310 nan 0.000 0.497 1273 Y N 1.917 122.130 120.300 -0.144 0.000 2.811 1273 Y HA 0.527 5.077 4.550 0.000 0.000 0.117 1273 Y C 1.749 177.570 175.900 -0.131 0.000 0.894 1273 Y CA -0.428 57.572 58.100 -0.166 0.000 1.862 1273 Y CB -0.096 38.324 38.460 -0.067 0.000 1.207 1273 Y HN 0.788 nan 8.280 nan 0.000 0.259 1274 G N -0.220 108.668 108.800 0.147 0.000 3.387 1274 G HA2 0.310 4.270 3.960 0.000 0.000 0.194 1274 G HA3 0.310 4.270 3.960 0.000 0.000 0.194 1274 G C -1.105 173.809 174.900 0.024 0.000 1.417 1274 G CA -0.521 44.615 45.100 0.060 0.000 0.777 1274 G HN 0.213 nan 8.290 nan 0.000 0.721 1275 N N -0.195 118.509 118.700 0.007 0.000 2.225 1275 N HA 0.456 5.196 4.740 0.000 0.000 0.298 1275 N C -1.461 174.031 175.510 -0.031 0.000 1.076 1275 N CA -0.340 52.692 53.050 -0.030 0.000 0.792 1275 N CB 2.857 41.323 38.487 -0.036 0.000 1.498 1275 N HN 0.160 nan 8.380 nan 0.000 0.474 1276 I N 2.973 123.507 120.570 -0.060 0.000 2.371 1276 I HA 0.220 4.390 4.170 0.000 0.000 0.282 1276 I C -2.097 173.988 176.117 -0.052 0.000 1.031 1276 I CA -1.883 59.390 61.300 -0.045 0.000 1.180 1276 I CB 1.745 39.721 38.000 -0.040 0.000 1.336 1276 I HN 0.113 nan 8.210 nan 0.000 0.467 1277 P HA 0.207 nan 4.420 nan 0.000 0.273 1277 P C -0.398 176.898 177.300 -0.006 0.000 1.319 1277 P CA 0.205 63.292 63.100 -0.021 0.000 0.885 1277 P CB 0.321 32.013 31.700 -0.012 0.000 1.015 1278 I N 3.098 123.666 120.570 -0.004 0.000 2.353 1278 I HA 0.209 4.379 4.170 0.000 0.000 0.293 1278 I C 0.659 176.799 176.117 0.039 0.000 0.992 1278 I CA -0.198 61.114 61.300 0.020 0.000 1.268 1278 I CB 1.276 39.292 38.000 0.026 0.000 1.387 1278 I HN 0.319 nan 8.210 nan 0.000 0.478 1279 S N 7.065 122.792 115.700 0.045 0.000 2.594 1279 S HA 0.769 5.239 4.470 0.000 0.000 0.296 1279 S C -0.800 173.833 174.600 0.055 0.000 1.124 1279 S CA -0.766 57.467 58.200 0.053 0.000 1.011 1279 S CB 1.595 64.816 63.200 0.034 0.000 1.016 1279 S HN 0.450 nan 8.310 nan 0.000 0.485 1280 I N 1.757 122.369 120.570 0.070 0.000 2.533 1280 I HA 0.315 4.485 4.170 0.000 0.000 0.290 1280 I C -1.049 175.090 176.117 0.036 0.000 1.056 1280 I CA -0.750 60.577 61.300 0.045 0.000 1.057 1280 I CB 2.135 40.152 38.000 0.029 0.000 1.240 1280 I HN 0.571 nan 8.210 nan 0.000 0.423 1281 D N 7.558 127.963 120.400 0.007 0.000 2.551 1281 D HA 0.269 4.909 4.640 0.000 0.000 0.223 1281 D C 0.219 176.517 176.300 -0.003 0.000 1.144 1281 D CA 0.162 54.159 54.000 -0.005 0.000 1.025 1281 D CB 0.365 41.157 40.800 -0.013 0.000 1.085 1281 D HN 0.326 nan 8.370 nan 0.000 0.506 1282 I N 3.958 124.543 120.570 0.026 0.000 2.436 1282 I HA 0.067 4.237 4.170 0.000 0.000 0.289 1282 I C -1.550 174.627 176.117 0.101 0.000 1.083 1282 I CA -1.393 59.891 61.300 -0.026 0.000 1.372 1282 I CB 0.441 38.334 38.000 -0.179 0.000 1.408 1282 I HN -0.045 nan 8.210 nan 0.000 0.516 1283 P HA 0.093 nan 4.420 nan 0.000 0.277 1283 P C -0.087 177.297 177.300 0.139 0.000 1.276 1283 P CA -0.335 62.799 63.100 0.057 0.000 0.788 1283 P CB 0.736 32.441 31.700 0.008 0.000 1.114 1284 N N -0.029 118.707 118.700 0.060 0.000 2.244 1284 N HA -0.119 4.621 4.740 0.000 0.000 0.183 1284 N C 1.752 177.309 175.510 0.078 0.000 1.016 1284 N CA 1.411 54.469 53.050 0.014 0.000 0.866 1284 N CB -0.765 37.703 38.487 -0.032 0.000 0.980 1284 N HN 0.462 nan 8.380 nan 0.000 0.430 1285 A N 1.047 123.901 122.820 0.055 0.000 2.015 1285 A HA 0.115 4.435 4.320 0.000 0.000 0.219 1285 A C 2.324 179.923 177.584 0.025 0.000 1.163 1285 A CA 1.499 53.564 52.037 0.047 0.000 0.646 1285 A CB -0.377 18.637 19.000 0.024 0.000 0.806 1285 A HN 0.322 nan 8.150 nan 0.000 0.448 1286 A N -1.277 121.523 122.820 -0.033 0.000 2.016 1286 A HA 0.248 4.569 4.320 0.000 0.000 0.217 1286 A C 0.788 178.253 177.584 -0.199 0.000 1.162 1286 A CA 0.148 52.090 52.037 -0.158 0.000 0.662 1286 A CB -0.457 18.355 19.000 -0.313 0.000 0.812 1286 A HN 0.392 nan 8.150 nan 0.000 0.450 1287 F N 2.102 122.015 119.950 -0.062 0.000 2.666 1287 F HA 0.243 4.770 4.527 0.000 0.000 0.362 1287 F C 0.714 176.571 175.800 0.095 0.000 1.190 1287 F CA -0.638 57.348 58.000 -0.023 0.000 1.328 1287 F CB -0.635 38.255 39.000 -0.182 0.000 1.682 1287 F HN 0.220 nan 8.300 nan 0.000 0.623 1288 I N -0.886 119.789 120.570 0.175 0.000 2.836 1288 I HA 0.238 4.408 4.170 0.000 0.000 0.285 1288 I C 0.788 177.016 176.117 0.185 0.000 1.174 1288 I CA -0.764 60.632 61.300 0.161 0.000 1.405 1288 I CB 0.362 38.419 38.000 0.095 0.000 1.385 1288 I HN 0.439 nan 8.210 nan 0.000 0.594 1289 R N 2.121 122.710 120.500 0.148 0.000 2.979 1289 R HA -0.098 4.242 4.340 0.000 0.000 0.272 1289 R C -0.463 175.907 176.300 0.117 0.000 0.981 1289 R CA 0.439 56.608 56.100 0.116 0.000 0.653 1289 R CB -1.519 28.845 30.300 0.106 0.000 1.397 1289 R HN 0.987 nan 8.270 nan 0.000 0.416 1290 T N -0.432 114.170 114.554 0.080 0.000 2.701 1290 T HA 0.039 4.389 4.350 0.000 0.000 0.303 1290 T C 1.608 176.269 174.700 -0.065 0.000 1.030 1290 T CA 0.046 62.122 62.100 -0.039 0.000 1.010 1290 T CB 0.939 69.740 68.868 -0.110 0.000 1.007 1290 T HN 0.529 nan 8.240 nan 0.000 0.532 1291 S N -0.344 115.273 115.700 -0.138 0.000 2.555 1291 S HA -0.075 4.395 4.470 0.000 0.000 0.230 1291 S C 1.134 175.692 174.600 -0.069 0.000 0.978 1291 S CA 0.579 58.724 58.200 -0.092 0.000 0.934 1291 S CB -0.157 62.976 63.200 -0.111 0.000 0.766 1291 S HN 0.600 nan 8.310 nan 0.000 0.533 1292 D N 1.027 121.384 120.400 -0.071 0.000 2.333 1292 D HA 0.336 4.976 4.640 0.000 0.000 0.208 1292 D C 1.730 178.013 176.300 -0.028 0.000 0.984 1292 D CA 0.840 54.811 54.000 -0.048 0.000 0.873 1292 D CB 0.402 41.172 40.800 -0.050 0.000 0.935 1292 D HN 0.548 nan 8.370 nan 0.000 0.521 1293 A N 1.200 124.008 122.820 -0.020 0.000 1.997 1293 A HA 0.207 4.527 4.320 0.000 0.000 0.214 1293 A C -1.597 175.983 177.584 -0.008 0.000 1.458 1293 A CA -0.018 52.014 52.037 -0.008 0.000 0.692 1293 A CB -1.096 17.906 19.000 0.004 0.000 1.145 1293 A HN 0.087 nan 8.150 nan 0.000 0.515 1294 P HA 0.420 nan 4.420 nan 0.000 0.276 1294 P C -1.223 176.067 177.300 -0.018 0.000 1.230 1294 P CA 0.479 63.575 63.100 -0.007 0.000 0.776 1294 P CB 1.074 32.776 31.700 0.003 0.000 0.888 1295 L N 2.901 124.111 121.223 -0.023 0.000 2.574 1295 L HA 0.196 4.536 4.340 0.000 0.000 0.258 1295 L C -0.045 176.805 176.870 -0.034 0.000 1.520 1295 L CA -0.708 54.117 54.840 -0.026 0.000 0.775 1295 L CB 1.333 43.381 42.059 -0.018 0.000 1.028 1295 L HN 0.078 nan 8.230 nan 0.000 0.516 1296 V N 0.378 120.254 119.914 -0.064 0.000 2.740 1296 V HA 0.113 4.233 4.120 0.000 0.000 0.303 1296 V C 1.132 177.192 176.094 -0.057 0.000 1.054 1296 V CA 0.330 62.571 62.300 -0.097 0.000 1.106 1296 V CB 1.258 32.930 31.823 -0.250 0.000 0.957 1296 V HN 0.779 nan 8.190 nan 0.000 0.486 1297 S N 3.263 118.954 115.700 -0.013 0.000 2.389 1297 S HA 0.233 4.703 4.470 0.000 0.000 0.230 1297 S C 0.455 175.081 174.600 0.044 0.000 1.197 1297 S CA -0.383 57.827 58.200 0.018 0.000 1.092 1297 S CB -0.050 63.171 63.200 0.035 0.000 1.050 1297 S HN 0.662 nan 8.310 nan 0.000 0.466 1298 T N 1.857 116.451 114.554 0.067 0.000 2.867 1298 T HA 0.355 4.705 4.350 0.000 0.000 0.297 1298 T C -0.253 174.540 174.700 0.155 0.000 0.989 1298 T CA -0.219 61.932 62.100 0.084 0.000 1.159 1298 T CB 0.118 69.024 68.868 0.063 0.000 0.928 1298 T HN 0.416 nan 8.240 nan 0.000 0.538 1299 V N 5.384 125.399 119.914 0.168 0.000 2.465 1299 V HA 0.367 4.487 4.120 0.000 0.000 0.279 1299 V C 0.363 176.545 176.094 0.146 0.000 1.045 1299 V CA -0.429 62.034 62.300 0.271 0.000 0.938 1299 V CB 1.119 33.111 31.823 0.282 0.000 0.986 1299 V HN 0.752 nan 8.190 nan 0.000 0.467 1300 K N 3.099 123.553 120.400 0.090 0.000 2.328 1300 K HA 0.838 5.158 4.320 0.000 0.000 0.246 1300 K C -1.547 175.044 176.600 -0.014 0.000 0.955 1300 K CA -0.521 55.779 56.287 0.020 0.000 0.817 1300 K CB 2.141 34.636 32.500 -0.009 0.000 1.208 1300 K HN 0.661 nan 8.250 nan 0.000 0.432 1301 C N 1.251 120.549 119.300 -0.003 0.000 2.871 1301 C HA 0.397 4.857 4.460 0.000 0.000 0.378 1301 C C -1.085 173.903 174.990 -0.005 0.000 1.052 1301 C CA -0.919 58.096 59.018 -0.005 0.000 1.250 1301 C CB 1.346 29.106 27.740 0.034 0.000 1.689 1301 C HN 0.842 nan 8.230 nan 0.000 0.506 1302 E N 1.196 121.386 120.200 -0.017 0.000 2.356 1302 E HA 0.633 4.983 4.350 0.000 0.000 0.275 1302 E C -1.351 175.241 176.600 -0.012 0.000 0.904 1302 E CA -0.580 55.812 56.400 -0.014 0.000 0.757 1302 E CB 2.560 32.246 29.700 -0.023 0.000 1.232 1302 E HN 0.434 nan 8.360 nan 0.000 0.442 1303 V N 1.502 121.413 119.914 -0.005 0.000 2.732 1303 V HA 0.414 4.534 4.120 0.000 0.000 0.310 1303 V C 0.533 176.621 176.094 -0.009 0.000 1.053 1303 V CA -0.080 62.219 62.300 -0.001 0.000 0.957 1303 V CB 1.464 33.293 31.823 0.010 0.000 1.018 1303 V HN 0.956 nan 8.190 nan 0.000 0.452 1304 S N 1.684 117.378 115.700 -0.009 0.000 4.585 1304 S HA 0.281 4.751 4.470 0.000 0.000 0.155 1304 S C 0.173 174.769 174.600 -0.007 0.000 0.954 1304 S CA -0.544 57.650 58.200 -0.010 0.000 1.213 1304 S CB 0.065 63.257 63.200 -0.013 0.000 1.901 1304 S HN 0.592 nan 8.310 nan 0.000 0.805 1305 E N 1.091 121.289 120.200 -0.003 0.000 2.220 1305 E HA 0.462 4.812 4.350 0.000 0.000 0.272 1305 E C -1.297 175.302 176.600 -0.000 0.000 1.099 1305 E CA -0.172 56.229 56.400 0.001 0.000 0.907 1305 E CB 0.382 30.086 29.700 0.007 0.000 1.022 1305 E HN 0.366 nan 8.360 nan 0.000 0.428 1306 C N 2.835 122.130 119.300 -0.009 0.000 2.642 1306 C HA 0.413 4.873 4.460 0.000 0.000 0.344 1306 C C 0.017 174.986 174.990 -0.034 0.000 1.110 1306 C CA -0.708 58.299 59.018 -0.019 0.000 1.298 1306 C CB 1.675 29.399 27.740 -0.027 0.000 1.827 1306 C HN 0.635 nan 8.230 nan 0.000 0.467 1307 T N 1.085 115.628 114.554 -0.019 0.000 2.916 1307 T HA 0.513 4.863 4.350 0.000 0.000 0.292 1307 T C -0.751 173.954 174.700 0.009 0.000 1.064 1307 T CA -0.431 61.671 62.100 0.005 0.000 1.011 1307 T CB 0.712 69.619 68.868 0.065 0.000 1.152 1307 T HN 0.456 nan 8.240 nan 0.000 0.510 1308 Y N 2.315 122.621 120.300 0.009 0.000 2.903 1308 Y HA 0.045 4.595 4.550 0.000 0.000 0.338 1308 Y C 1.865 177.767 175.900 0.004 0.000 1.265 1308 Y CA 0.324 58.429 58.100 0.008 0.000 1.532 1308 Y CB 0.139 38.602 38.460 0.006 0.000 1.293 1308 Y HN 0.741 nan 8.280 nan 0.000 0.609 1316 A N 2.724 125.535 122.820 -0.016 0.000 2.411 1316 A HA 0.409 4.729 4.320 0.000 0.000 0.251 1316 A C 0.448 177.998 177.584 -0.056 0.000 1.317 1316 A CA 0.590 52.622 52.037 -0.009 0.000 0.904 1316 A CB -0.654 18.371 19.000 0.042 0.000 0.993 1316 A HN 1.002 nan 8.150 nan 0.000 0.504 1317 T N 0.162 114.640 114.554 -0.125 0.000 3.177 1317 T HA -0.155 4.195 4.350 0.000 0.000 0.439 1317 T C 0.134 174.718 174.700 -0.193 0.000 0.771 1317 T CA 1.044 63.044 62.100 -0.167 0.000 2.254 1317 T CB -1.650 67.150 68.868 -0.114 0.000 1.667 1317 T HN 0.459 nan 8.240 nan 0.000 0.619 1318 L N 1.527 122.585 121.223 -0.276 0.000 3.029 1318 L HA 0.216 4.556 4.340 0.000 0.000 0.231 1318 L C 1.129 177.528 176.870 -0.784 0.000 1.327 1318 L CA -0.374 54.176 54.840 -0.483 0.000 1.166 1318 L CB 0.081 41.932 42.059 -0.347 0.000 1.532 1318 L HN 0.456 nan 8.230 nan 0.000 0.473 1319 Q N 0.734 120.258 119.800 -0.461 0.000 2.255 1319 Q HA 0.169 4.509 4.340 0.000 0.000 0.280 1319 Q C -0.987 174.837 176.000 -0.294 0.000 1.068 1319 Q CA 0.759 56.377 55.803 -0.308 0.000 0.911 1319 Q CB 0.468 29.121 28.738 -0.142 0.000 1.157 1319 Q HN 0.365 nan 8.270 nan 0.000 0.380 1320 Y N 0.256 120.567 120.300 0.019 0.000 2.675 1320 Y HA 0.664 5.214 4.550 0.000 0.000 0.328 1320 Y C -0.085 175.828 175.900 0.022 0.000 1.092 1320 Y CA -1.414 56.701 58.100 0.025 0.000 1.190 1320 Y CB 1.719 40.200 38.460 0.035 0.000 1.350 1320 Y HN 0.181 nan 8.280 nan 0.000 0.525 1321 V N 1.653 121.698 119.914 0.218 0.000 2.509 1321 V HA 0.406 4.526 4.120 0.000 0.000 0.289 1321 V C -0.961 175.178 176.094 0.075 0.000 1.026 1321 V CA -0.646 61.721 62.300 0.113 0.000 0.872 1321 V CB 1.008 32.879 31.823 0.079 0.000 1.017 1321 V HN 0.816 nan 8.190 nan 0.000 0.436 1322 S N 2.062 117.798 115.700 0.059 0.000 2.720 1322 S HA 0.658 5.128 4.470 0.000 0.000 0.287 1322 S C -1.469 173.141 174.600 0.018 0.000 1.168 1322 S CA -1.047 57.169 58.200 0.028 0.000 0.832 1322 S CB 2.563 65.772 63.200 0.016 0.000 1.166 1322 S HN 0.490 nan 8.310 nan 0.000 0.493 1323 D N 1.348 121.752 120.400 0.005 0.000 2.317 1323 D HA 0.405 5.045 4.640 0.000 0.000 0.234 1323 D C -0.492 175.802 176.300 -0.010 0.000 1.112 1323 D CA 0.075 54.074 54.000 -0.001 0.000 0.840 1323 D CB 0.730 41.528 40.800 -0.003 0.000 1.078 1323 D HN 0.467 nan 8.370 nan 0.000 0.486 1324 R N 1.842 122.332 120.500 -0.016 0.000 1.430 1324 R HA -0.159 4.181 4.340 0.000 0.000 0.404 1324 R C -0.400 175.864 176.300 -0.061 0.000 1.314 1324 R CA 0.442 56.522 56.100 -0.035 0.000 1.171 1324 R CB -0.415 29.866 30.300 -0.033 0.000 3.410 1324 R HN 0.564 nan 8.270 nan 0.000 0.488 1325 E N 0.651 120.791 120.200 -0.101 0.000 2.398 1325 E HA 0.377 4.727 4.350 0.000 0.000 0.263 1325 E C 0.637 177.040 176.600 -0.329 0.000 1.046 1325 E CA 0.730 57.005 56.400 -0.209 0.000 0.908 1325 E CB 0.920 30.463 29.700 -0.262 0.000 0.963 1325 E HN 0.672 nan 8.360 nan 0.000 0.431 1326 G N 1.770 110.303 108.800 -0.445 0.000 1.875 1326 G HA2 0.122 4.082 3.960 0.000 0.000 0.218 1326 G HA3 0.122 4.082 3.960 0.000 0.000 0.218 1326 G C -0.428 174.497 174.900 0.043 0.000 1.648 1326 G CA -0.335 44.598 45.100 -0.278 0.000 0.941 1326 G HN 0.593 nan 8.290 nan 0.000 0.689 1327 Q N -0.636 119.348 119.800 0.306 0.000 1.659 1327 Q HA -0.344 3.996 4.340 0.000 0.000 0.347 1327 Q C 1.040 177.198 176.000 0.263 0.000 0.831 1327 Q CA 2.427 58.396 55.803 0.276 0.000 0.873 1327 Q CB -1.171 27.658 28.738 0.151 0.000 3.305 1327 Q HN 2.537 nan 8.270 nan 0.000 0.659 1328 C N 0.829 120.230 119.300 0.168 0.000 3.055 1328 C HA -0.036 4.424 4.460 0.000 0.000 0.306 1328 C C -2.573 172.506 174.990 0.148 0.000 0.855 1328 C CA -0.296 58.807 59.018 0.142 0.000 2.714 1328 C CB -0.768 27.064 27.740 0.153 0.000 1.521 1328 C HN 0.551 nan 8.230 nan 0.000 0.454 1329 P HA 0.499 nan 4.420 nan 0.000 0.282 1329 P C -0.597 176.789 177.300 0.145 0.000 1.262 1329 P CA 0.216 63.400 63.100 0.140 0.000 0.773 1329 P CB 1.366 33.155 31.700 0.149 0.000 0.879 1330 V N 5.024 125.005 119.914 0.112 0.000 2.638 1330 V HA 0.438 4.558 4.120 0.000 0.000 0.306 1330 V C -0.241 175.770 176.094 -0.138 0.000 1.052 1330 V CA -0.376 61.983 62.300 0.099 0.000 0.885 1330 V CB 1.763 33.752 31.823 0.277 0.000 0.999 1330 V HN 0.688 nan 8.190 nan 0.000 0.424 1331 H N 1.133 120.185 119.070 -0.031 0.000 3.012 1331 H HA 0.474 5.030 4.556 0.000 0.000 0.367 1331 H C -0.215 174.955 175.328 -0.264 0.000 1.211 1331 H CA -0.356 55.589 56.048 -0.171 0.000 1.139 1331 H CB 2.519 32.165 29.762 -0.193 0.000 1.838 1331 H HN 0.742 nan 8.280 nan 0.000 0.550 1332 S N 0.926 116.587 115.700 -0.064 0.000 2.584 1332 S HA 0.129 4.599 4.470 0.000 0.000 0.270 1332 S C 0.443 174.830 174.600 -0.354 0.000 1.346 1332 S CA -0.086 58.035 58.200 -0.131 0.000 1.018 1332 S CB 1.002 64.135 63.200 -0.113 0.000 0.899 1332 S HN 0.726 nan 8.310 nan 0.000 0.542 1333 H N -0.684 118.410 119.070 0.039 0.000 3.535 1333 H HA 0.387 4.943 4.556 0.000 0.000 0.260 1333 H C 0.361 175.717 175.328 0.047 0.000 1.173 1333 H CA -0.131 55.943 56.048 0.044 0.000 1.168 1333 H CB 0.668 30.466 29.762 0.060 0.000 1.568 1333 H HN 0.526 nan 8.280 nan 0.000 0.602 1334 S N 0.278 116.052 115.700 0.123 0.000 2.647 1334 S HA 0.145 4.615 4.470 0.000 0.000 0.284 1334 S C 1.466 176.094 174.600 0.047 0.000 1.134 1334 S CA 0.057 58.332 58.200 0.125 0.000 1.027 1334 S CB 1.244 64.595 63.200 0.252 0.000 1.180 1334 S HN 0.408 nan 8.310 nan 0.000 0.521 1335 S N -0.547 115.195 115.700 0.071 0.000 2.548 1335 S HA 0.247 4.717 4.470 0.000 0.000 0.215 1335 S C 0.383 174.977 174.600 -0.010 0.000 0.976 1335 S CA -0.169 58.052 58.200 0.035 0.000 0.908 1335 S CB 0.043 63.279 63.200 0.059 0.000 0.781 1335 S HN 0.501 nan 8.310 nan 0.000 0.519 1336 T N 1.615 116.123 114.554 -0.077 0.000 2.883 1336 T HA 0.730 5.080 4.350 0.000 0.000 0.296 1336 T C -0.841 173.488 174.700 -0.617 0.000 1.117 1336 T CA -0.016 61.963 62.100 -0.202 0.000 1.006 1336 T CB 1.590 70.463 68.868 0.008 0.000 1.191 1336 T HN 1.181 nan 8.240 nan 0.000 0.508 1337 A N 1.600 124.134 122.820 -0.477 0.000 1.856 1337 A HA 0.054 4.374 4.320 0.000 0.000 0.234 1337 A C 0.133 177.511 177.584 -0.343 0.000 1.328 1337 A CA -0.061 51.676 52.037 -0.500 0.000 0.673 1337 A CB -2.105 16.317 19.000 -0.963 0.000 1.190 1337 A HN 0.781 nan 8.150 nan 0.000 0.248 1338 T N 3.949 118.377 114.554 -0.211 0.000 2.829 1338 T HA 0.633 4.983 4.350 0.000 0.000 0.282 1338 T C 0.921 175.527 174.700 -0.157 0.000 0.990 1338 T CA -0.531 61.473 62.100 -0.160 0.000 1.028 1338 T CB 1.237 70.037 68.868 -0.114 0.000 0.951 1338 T HN 0.617 nan 8.240 nan 0.000 0.460 1339 L N 1.965 123.075 121.223 -0.187 0.000 2.475 1339 L HA 0.224 4.564 4.340 0.000 0.000 0.250 1339 L C 1.829 178.588 176.870 -0.185 0.000 1.224 1339 L CA -0.353 54.342 54.840 -0.243 0.000 0.821 1339 L CB 0.267 42.055 42.059 -0.453 0.000 1.141 1339 L HN 0.731 nan 8.230 nan 0.000 0.494 1340 Q N -0.506 119.194 119.800 -0.166 0.000 2.387 1340 Q HA 0.157 4.497 4.340 0.000 0.000 0.212 1340 Q C -0.135 175.820 176.000 -0.075 0.000 0.925 1340 Q CA 0.473 56.224 55.803 -0.087 0.000 0.901 1340 Q CB 0.783 29.505 28.738 -0.026 0.000 1.020 1340 Q HN 0.608 nan 8.270 nan 0.000 0.545 1341 E N -0.253 119.905 120.200 -0.071 0.000 2.281 1341 E HA 0.240 4.590 4.350 0.000 0.000 0.257 1341 E C 0.187 176.717 176.600 -0.118 0.000 0.971 1341 E CA -0.004 56.414 56.400 0.030 0.000 0.839 1341 E CB 1.879 31.735 29.700 0.260 0.000 1.238 1341 E HN 0.046 nan 8.360 nan 0.000 0.412 1342 S N -0.695 115.033 115.700 0.047 0.000 3.414 1342 S HA 0.070 4.540 4.470 0.000 0.000 0.193 1342 S C 0.687 175.429 174.600 0.236 0.000 0.825 1342 S CA -0.254 57.925 58.200 -0.034 0.000 0.837 1342 S CB -0.137 63.019 63.200 -0.075 0.000 0.940 1342 S HN 0.323 nan 8.310 nan 0.000 0.639 1343 T N 2.853 117.489 114.554 0.137 0.000 2.776 1343 T HA 0.617 4.967 4.350 0.000 0.000 0.292 1343 T C -1.026 173.656 174.700 -0.029 0.000 0.921 1343 T CA -0.083 62.072 62.100 0.093 0.000 1.038 1343 T CB 0.166 69.066 68.868 0.053 0.000 0.910 1343 T HN 0.288 nan 8.240 nan 0.000 0.536 1344 V N 5.669 125.541 119.914 -0.072 0.000 2.524 1344 V HA 0.257 4.377 4.120 0.000 0.000 0.297 1344 V C 0.124 176.089 176.094 -0.216 0.000 1.035 1344 V CA -1.206 60.906 62.300 -0.313 0.000 0.867 1344 V CB 1.186 32.693 31.823 -0.526 0.000 1.004 1344 V HN 0.816 nan 8.190 nan 0.000 0.426 1353 T N 3.550 118.148 114.554 0.074 0.000 3.182 1353 T HA 0.405 4.755 4.350 0.000 0.000 0.274 1353 T C -0.116 174.653 174.700 0.115 0.000 0.997 1353 T CA 0.288 62.429 62.100 0.068 0.000 1.082 1353 T CB 0.095 69.030 68.868 0.112 0.000 1.005 1353 T HN 0.234 nan 8.240 nan 0.000 0.688 1354 V N 4.274 124.179 119.914 -0.015 0.000 2.740 1354 V HA 0.118 4.238 4.120 0.000 0.000 0.303 1354 V C 0.570 176.566 176.094 -0.163 0.000 1.054 1354 V CA -0.224 62.009 62.300 -0.112 0.000 1.106 1354 V CB 0.241 31.960 31.823 -0.173 0.000 0.957 1354 V HN 0.752 nan 8.190 nan 0.000 0.486 1355 H N 4.549 123.386 119.070 -0.389 0.000 2.970 1355 H HA 0.445 5.001 4.556 0.000 0.000 0.315 1355 H C -0.654 174.470 175.328 -0.340 0.000 0.992 1355 H CA -0.152 55.733 56.048 -0.272 0.000 1.363 1355 H CB 1.351 31.015 29.762 -0.162 0.000 1.532 1355 H HN 0.552 nan 8.280 nan 0.000 0.514 1356 F N 0.801 120.758 119.950 0.012 0.000 3.064 1356 F HA 0.495 5.022 4.527 0.000 0.000 0.322 1356 F C 0.151 175.944 175.800 -0.012 0.000 1.463 1356 F CA -0.713 57.284 58.000 -0.005 0.000 1.044 1356 F CB 1.831 40.816 39.000 -0.026 0.000 1.743 1356 F HN 0.463 nan 8.300 nan 0.000 0.423 1357 S N -0.662 115.180 115.700 0.236 0.000 2.680 1357 S HA 0.526 4.996 4.470 0.000 0.000 0.284 1357 S C -1.328 173.287 174.600 0.024 0.000 1.055 1357 S CA -1.008 57.248 58.200 0.094 0.000 0.849 1357 S CB 1.417 64.663 63.200 0.077 0.000 1.068 1357 S HN 0.535 nan 8.310 nan 0.000 0.453 1358 T N 0.404 114.961 114.554 0.005 0.000 2.716 1358 T HA 0.931 5.281 4.350 0.000 0.000 0.286 1358 T C -0.737 173.950 174.700 -0.022 0.000 1.052 1358 T CA -0.477 61.604 62.100 -0.031 0.000 1.024 1358 T CB 1.674 70.522 68.868 -0.034 0.000 1.349 1358 T HN 1.877 nan 8.240 nan 0.000 0.525 1359 A N 1.628 124.425 122.820 -0.037 0.000 3.158 1359 A HA 0.650 4.970 4.320 0.000 0.000 0.302 1359 A C -0.023 177.546 177.584 -0.024 0.000 1.162 1359 A CA -0.643 51.380 52.037 -0.023 0.000 0.824 1359 A CB 0.044 19.032 19.000 -0.021 0.000 1.322 1359 A HN 0.857 nan 8.150 nan 0.000 0.510 1360 S N 1.027 116.730 115.700 0.004 0.000 2.726 1360 S HA 0.841 5.311 4.470 0.000 0.000 0.308 1360 S C -1.304 173.331 174.600 0.058 0.000 1.115 1360 S CA -0.810 57.424 58.200 0.056 0.000 0.965 1360 S CB 1.074 64.384 63.200 0.183 0.000 1.145 1360 S HN 0.323 nan 8.310 nan 0.000 0.532 1361 P HA 0.153 nan 4.420 nan 0.000 0.200 1361 P C 0.334 177.626 177.300 -0.013 0.000 1.198 1361 P CA 1.015 64.128 63.100 0.021 0.000 0.892 1361 P CB 0.105 31.840 31.700 0.059 0.000 0.724 1362 Q N -2.129 117.674 119.800 0.005 0.000 1.977 1362 Q HA 0.353 4.693 4.340 0.000 0.000 0.214 1362 Q C 0.396 176.344 176.000 -0.087 0.000 0.740 1362 Q CA -0.243 55.536 55.803 -0.040 0.000 0.893 1362 Q CB 0.912 29.619 28.738 -0.052 0.000 1.203 1362 Q HN 0.201 nan 8.270 nan 0.000 0.436 1363 A N 1.635 124.368 122.820 -0.146 0.000 2.386 1363 A HA 0.291 4.611 4.320 0.000 0.000 0.248 1363 A C -0.094 177.123 177.584 -0.611 0.000 1.082 1363 A CA -0.205 51.609 52.037 -0.373 0.000 0.789 1363 A CB 0.251 18.970 19.000 -0.469 0.000 1.025 1363 A HN 0.152 nan 8.150 nan 0.000 0.490 1364 N N 0.499 118.882 118.700 -0.527 0.000 2.472 1364 N HA 0.514 5.254 4.740 0.000 0.000 0.277 1364 N C -1.021 174.137 175.510 -0.587 0.000 1.081 1364 N CA 0.437 53.249 53.050 -0.396 0.000 0.973 1364 N CB 0.758 39.133 38.487 -0.186 0.000 1.105 1364 N HN 0.517 nan 8.380 nan 0.000 0.470 1365 F N 0.578 120.537 119.950 0.015 0.000 2.671 1365 F HA 0.582 5.109 4.527 0.000 0.000 0.373 1365 F C 1.056 176.880 175.800 0.041 0.000 1.122 1365 F CA -0.929 57.088 58.000 0.028 0.000 1.082 1365 F CB 0.940 39.955 39.000 0.026 0.000 1.399 1365 F HN 0.119 nan 8.300 nan 0.000 0.509 1366 I N 0.164 120.910 120.570 0.293 0.000 0.000 1366 I HA 0.866 5.036 4.170 0.000 0.000 0.000 1366 I C -0.021 176.219 176.117 0.205 0.000 0.000 1366 I CA -0.833 60.586 61.300 0.197 0.000 0.000 1366 I CB 1.499 39.601 38.000 0.170 0.000 0.000 1366 I HN 0.509 nan 8.210 nan 0.000 0.000 1367 V N -0.385 nan 119.914 nan 0.000 0.000 1367 V HA 0.782 4.902 4.120 0.000 0.000 0.000 1367 V C -0.716 nan 176.094 nan 0.000 0.000 1367 V CA 0.025 62.449 62.300 0.207 0.000 0.000 1367 V CB 1.157 nan 31.823 nan 0.000 0.000 1367 V HN 1.065 nan 8.190 nan 0.000 0.000 1368 S N -1.631 nan 115.700 nan 0.000 0.000 1368 S HA 1.263 5.733 4.470 0.000 0.000 0.000 1368 S C -0.416 nan 174.600 nan 0.000 0.000 1368 S CA 0.303 58.660 58.200 0.261 0.000 0.000 1368 S CB 0.126 nan 63.200 nan 0.000 0.000 1368 S HN 2.944 nan 8.310 nan 0.000 0.000 1369 L N -2.502 nan 121.223 nan 0.000 0.000 1369 L HA 1.027 5.367 4.340 0.000 0.000 0.000 1369 L C 0.155 nan 176.870 nan 0.000 0.000 1369 L CA -0.118 54.954 54.840 0.387 0.000 0.000 1369 L CB -0.178 nan 42.059 nan 0.000 0.000 1369 L HN 3.091 nan 8.230 nan 0.000 0.000 1370 C N -1.754 nan 119.300 nan 0.000 0.000 1370 C HA 1.147 5.607 4.460 0.000 0.000 0.000 1370 C C 0.515 nan 174.990 nan 0.000 0.000 1370 C CA -0.069 58.954 59.018 0.008 0.000 0.000 1370 C CB 0.952 nan 27.740 nan 0.000 0.000 1370 C HN 3.256 nan 8.230 nan 0.000 0.000 1371 G N -0.976 nan 108.800 nan 0.000 0.000 1371 G HA2 1.156 5.116 3.960 0.000 0.000 0.000 1371 G HA3 1.156 5.116 3.960 0.000 0.000 0.000 1371 G C -0.942 nan 174.900 nan 0.000 0.000 1371 G CA 1.271 46.379 45.100 0.014 0.000 0.000 1371 G HN 2.982 nan 8.290 nan 0.000 0.000 1372 K N -2.533 nan 120.400 nan 0.000 0.000 1372 K HA 1.158 5.478 4.320 0.000 0.000 0.000 1372 K C -0.334 nan 176.600 nan 0.000 0.000 1372 K CA 1.019 57.278 56.287 -0.046 0.000 0.000 1372 K CB 0.302 nan 32.500 nan 0.000 0.000 1372 K HN 2.696 nan 8.250 nan 0.000 0.000 1373 K N -1.744 nan 120.400 nan 0.000 0.000 1373 K HA 1.071 5.391 4.320 0.000 0.000 0.000 1373 K C 0.294 nan 176.600 nan 0.000 0.000 1373 K CA 1.025 57.370 56.287 0.097 0.000 0.000 1373 K CB -0.002 nan 32.500 nan 0.000 0.000 1373 K HN 2.803 nan 8.250 nan 0.000 0.000 1374 T N -2.108 nan 114.554 nan 0.000 0.000 1374 T HA 1.088 5.438 4.350 0.000 0.000 0.000 1374 T C 0.442 nan 174.700 nan 0.000 0.000 1374 T CA 0.914 63.088 62.100 0.122 0.000 0.000 1374 T CB 0.084 nan 68.868 nan 0.000 0.000 1374 T HN 2.678 nan 8.240 nan 0.000 0.000 1375 T N -2.138 nan 114.554 nan 0.000 0.000 1375 T HA 0.963 5.313 4.350 0.000 0.000 0.000 1375 T C -0.008 nan 174.700 nan 0.000 0.000 1375 T CA 0.502 62.658 62.100 0.095 0.000 0.000 1375 T CB -0.295 nan 68.868 nan 0.000 0.000 1375 T HN 2.917 nan 8.240 nan 0.000 0.000 1376 C N -1.181 nan 119.300 nan 0.000 0.000 1376 C HA 1.250 5.710 4.460 0.000 0.000 0.000 1376 C C 0.034 nan 174.990 nan 0.000 0.000 1376 C CA 0.634 59.689 59.018 0.061 0.000 0.000 1376 C CB -0.007 nan 27.740 nan 0.000 0.000 1376 C HN 2.761 nan 8.230 nan 0.000 0.000 1377 N N -0.837 nan 118.700 nan 0.000 0.000 1377 N HA 1.160 5.900 4.740 0.000 0.000 0.000 1377 N C -0.596 nan 175.510 nan 0.000 0.000 1377 N CA 1.050 54.107 53.050 0.010 0.000 0.000 1377 N CB 0.388 nan 38.487 nan 0.000 0.000 1377 N HN 2.978 nan 8.380 nan 0.000 0.000 1378 A N -2.643 nan 122.820 nan 0.000 0.000 1378 A HA 1.156 5.476 4.320 0.000 0.000 0.000 1378 A C -0.278 nan 177.584 nan 0.000 0.000 1378 A CA 1.489 53.523 52.037 -0.005 0.000 0.000 1378 A CB -0.487 nan 19.000 nan 0.000 0.000 1378 A HN 2.730 nan 8.150 nan 0.000 0.000 1379 E N -2.023 nan 120.200 nan 0.000 0.000 1379 E HA 0.886 5.236 4.350 0.000 0.000 0.000 1379 E C -0.092 nan 176.600 nan 0.000 0.000 1379 E CA 0.310 56.696 56.400 -0.023 0.000 0.000 1379 E CB -0.059 nan 29.700 nan 0.000 0.000 1379 E HN 2.887 nan 8.360 nan 0.000 0.000 1380 C N 0.000 nan 119.300 nan 0.000 2.653 1380 C HA 0.000 4.460 4.460 0.000 0.000 0.325 1380 C CA 0.000 58.962 59.018 -0.093 0.000 1.963 1380 C CB 0.000 nan 27.740 nan 0.000 2.134 1380 C HN 0.000 nan 8.230 nan 0.000 0.568