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 1ejx_1_C DATA FIRST_RESID 1002 DATA SEQUENCE SNISRQAYAD MFGPTVGDKV RLADTELWIE VEDDLTTYGE EVKFGGGKVI DATA SEQUENCE RDGMGQGQML AADCVDLVLT NALIVDHWGI VKADIGVKDG RIFAIGKAGN DATA SEQUENCE PDIQPNVTIP IGAATEVIAA EGKIVTAGGI DTHIHWICPQ QAEEALVSGV DATA SEQUENCE TTMVGGGTGP AAGTHATTCT PGPWYISRML QAADSLPVNI GLLGKGNVSQ DATA SEQUENCE PDALREQVAA GVIGLXIHED WGATPAAIDC ALTVADEMDI QVALHSDTLN DATA SEQUENCE ESGFVEDTLA AIGGRTIHTF HTEGAGGGHA PDIITACAHP NILPSSTNPT DATA SEQUENCE LPYTLNTIDE HLDMLMVCXX XXXXXXXXVA FAESRIRRET IAAEDVLHDL DATA SEQUENCE GAFSLTSSDS QAMGRVGEVI LRTWQVAHRM KVQRGALAEE TGDNDNFRVK DATA SEQUENCE RYIAKYTINP ALTHGIAHEV GSIEVGKLAD LVVWSPAFFG VKPATVIKGG DATA SEQUENCE MIAIAPMGDI NASIPTPQPV HYRPMFGALG SARHHCRLTF LSQAAAANGV DATA SEQUENCE AERLNLRSAI AVVKGCRTVQ KADMVHNSLQ PNITVDAQTY EVRVDGELIT DATA SEQUENCE SEPADVLPMA QRYFLF 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 1002 S HA 0.000 nan 4.470 nan 0.000 0.327 1002 S C 0.000 174.623 174.600 0.038 0.000 1.055 1002 S CA 0.000 58.223 58.200 0.038 0.000 1.107 1002 S CB 0.000 63.229 63.200 0.049 0.000 0.593 1003 N N 2.058 120.779 118.700 0.035 0.000 2.509 1003 N HA 0.706 5.446 4.740 -0.000 0.000 0.280 1003 N C -1.426 174.112 175.510 0.047 0.000 1.306 1003 N CA -0.642 52.423 53.050 0.025 0.000 0.782 1003 N CB 2.336 40.828 38.487 0.009 0.000 1.493 1003 N HN 0.662 nan 8.380 nan 0.000 0.498 1004 I N 0.157 120.756 120.570 0.047 0.000 2.752 1004 I HA 0.217 4.387 4.170 -0.000 0.000 0.295 1004 I C -0.147 176.004 176.117 0.057 0.000 1.219 1004 I CA -0.459 60.893 61.300 0.087 0.000 1.030 1004 I CB 1.939 40.049 38.000 0.184 0.000 1.259 1004 I HN 0.670 nan 8.210 nan 0.000 0.423 1005 S N 5.825 121.559 115.700 0.055 0.000 2.584 1005 S HA 0.310 4.780 4.470 -0.000 0.000 0.270 1005 S C 0.974 175.610 174.600 0.061 0.000 1.346 1005 S CA -0.297 57.924 58.200 0.035 0.000 1.018 1005 S CB 1.383 64.602 63.200 0.031 0.000 0.899 1005 S HN 0.833 nan 8.310 nan 0.000 0.542 1006 R N 0.430 120.944 120.500 0.024 0.000 2.096 1006 R HA -0.121 4.219 4.340 -0.000 0.000 0.235 1006 R C 2.510 178.873 176.300 0.105 0.000 1.127 1006 R CA 1.611 57.733 56.100 0.037 0.000 0.968 1006 R CB -0.438 29.849 30.300 -0.021 0.000 0.861 1006 R HN 0.802 nan 8.270 nan 0.000 0.440 1007 Q N 0.648 120.492 119.800 0.072 0.000 2.050 1007 Q HA -0.112 4.228 4.340 -0.000 0.000 0.202 1007 Q C 1.975 178.024 176.000 0.083 0.000 0.980 1007 Q CA 2.062 57.908 55.803 0.073 0.000 0.840 1007 Q CB -0.249 28.516 28.738 0.046 0.000 0.898 1007 Q HN 0.335 nan 8.270 nan 0.000 0.424 1008 A N -0.716 122.150 122.820 0.076 0.000 1.940 1008 A HA -0.220 4.100 4.320 -0.000 0.000 0.219 1008 A C 2.010 179.632 177.584 0.064 0.000 1.176 1008 A CA 1.614 53.681 52.037 0.050 0.000 0.631 1008 A CB -1.060 17.968 19.000 0.047 0.000 0.814 1008 A HN 0.659 nan 8.150 nan 0.000 0.446 1009 Y N 0.234 120.566 120.300 0.054 0.000 2.163 1009 Y HA -0.027 4.523 4.550 -0.000 0.000 0.288 1009 Y C 2.696 178.684 175.900 0.145 0.000 1.136 1009 Y CA 1.409 59.604 58.100 0.158 0.000 1.147 1009 Y CB -0.387 38.141 38.460 0.113 0.000 0.987 1009 Y HN 0.311 nan 8.280 nan 0.000 0.509 1010 A N 0.181 123.181 122.820 0.300 0.000 1.933 1010 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 1010 A C 1.857 179.474 177.584 0.055 0.000 1.175 1010 A CA 2.027 54.186 52.037 0.203 0.000 0.628 1010 A CB -0.811 18.287 19.000 0.164 0.000 0.814 1010 A HN 0.566 nan 8.150 nan 0.000 0.444 1011 D N -0.834 119.571 120.400 0.007 0.000 2.117 1011 D HA -0.156 4.484 4.640 -0.000 0.000 0.197 1011 D C 1.885 178.085 176.300 -0.166 0.000 0.987 1011 D CA 1.580 55.549 54.000 -0.053 0.000 0.829 1011 D CB -0.322 40.455 40.800 -0.038 0.000 0.961 1011 D HN 0.547 nan 8.370 nan 0.000 0.460 1012 M N -1.167 118.237 119.600 -0.328 0.000 2.236 1012 M HA -0.026 4.454 4.480 -0.000 0.000 0.266 1012 M C 0.647 176.446 176.300 -0.836 0.000 1.070 1012 M CA 1.331 56.213 55.300 -0.696 0.000 1.137 1012 M CB 0.247 32.183 32.600 -1.106 0.000 1.378 1012 M HN -0.107 nan 8.290 nan 0.000 0.426 1013 F N -0.157 119.643 119.950 -0.249 0.000 2.746 1013 F HA 0.469 4.996 4.527 -0.000 0.000 0.320 1013 F C 0.833 176.599 175.800 -0.056 0.000 1.097 1013 F CA 0.121 58.000 58.000 -0.202 0.000 1.195 1013 F CB 0.453 39.197 39.000 -0.426 0.000 1.056 1013 F HN 0.244 nan 8.300 nan 0.000 0.562 1014 G N 1.592 110.449 108.800 0.095 0.000 2.707 1014 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.686 1014 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.686 1014 G C -3.038 171.996 174.900 0.224 0.000 1.315 1014 G CA -1.417 43.766 45.100 0.138 0.000 0.832 1014 G HN -0.077 nan 8.290 nan 0.000 0.573 1015 P HA 0.456 nan 4.420 nan 0.000 0.272 1015 P C 0.140 177.589 177.300 0.248 0.000 1.223 1015 P CA 0.313 63.538 63.100 0.209 0.000 0.784 1015 P CB 1.561 33.343 31.700 0.137 0.000 0.923 1016 T N -0.096 114.595 114.554 0.228 0.000 2.773 1016 T HA 0.311 4.661 4.350 -0.000 0.000 0.278 1016 T C -0.508 174.268 174.700 0.126 0.000 1.011 1016 T CA -0.817 61.408 62.100 0.209 0.000 1.014 1016 T CB 0.651 69.659 68.868 0.232 0.000 1.293 1016 T HN 0.104 nan 8.240 nan 0.000 0.554 1017 V N 2.386 122.372 119.914 0.120 0.000 2.717 1017 V HA 0.270 4.390 4.120 -0.000 0.000 0.302 1017 V C 1.908 178.037 176.094 0.059 0.000 1.097 1017 V CA 1.711 64.062 62.300 0.085 0.000 1.262 1017 V CB -0.330 31.543 31.823 0.084 0.000 0.846 1017 V HN 1.347 nan 8.190 nan 0.000 0.485 1018 G N 3.608 112.439 108.800 0.051 0.000 2.299 1018 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.237 1018 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.237 1018 G C -0.007 174.916 174.900 0.038 0.000 1.027 1018 G CA 0.118 45.239 45.100 0.035 0.000 0.619 1018 G HN 0.687 nan 8.290 nan 0.000 0.513 1019 D N 1.376 121.810 120.400 0.057 0.000 2.362 1019 D HA 0.576 5.216 4.640 -0.000 0.000 0.242 1019 D C 0.653 177.008 176.300 0.092 0.000 1.132 1019 D CA 0.419 54.463 54.000 0.073 0.000 0.907 1019 D CB 0.842 41.700 40.800 0.097 0.000 1.195 1019 D HN 0.438 nan 8.370 nan 0.000 0.429 1020 K N 0.049 120.529 120.400 0.132 0.000 2.328 1020 K HA 0.685 5.005 4.320 -0.000 0.000 0.246 1020 K C -1.164 175.632 176.600 0.327 0.000 0.955 1020 K CA -0.988 55.434 56.287 0.226 0.000 0.817 1020 K CB 2.378 35.008 32.500 0.217 0.000 1.208 1020 K HN 0.064 nan 8.250 nan 0.000 0.432 1021 V N 1.822 121.902 119.914 0.276 0.000 2.577 1021 V HA 0.354 4.474 4.120 -0.000 0.000 0.303 1021 V C -0.457 175.439 176.094 -0.330 0.000 1.042 1021 V CA -0.954 61.361 62.300 0.025 0.000 0.872 1021 V CB 1.653 33.433 31.823 -0.071 0.000 0.998 1021 V HN 0.674 nan 8.190 nan 0.000 0.423 1022 R N 4.345 124.286 120.500 -0.931 0.000 2.347 1022 R HA 0.402 4.742 4.340 -0.000 0.000 0.304 1022 R C -0.686 175.208 176.300 -0.676 0.000 1.072 1022 R CA -0.499 54.810 56.100 -1.319 0.000 0.980 1022 R CB 0.479 29.879 30.300 -1.500 0.000 0.986 1022 R HN 0.702 nan 8.270 nan 0.000 0.448 1023 L N 6.330 127.187 121.223 -0.609 0.000 2.485 1023 L HA 0.134 4.474 4.340 -0.000 0.000 0.279 1023 L C 1.221 177.904 176.870 -0.312 0.000 1.124 1023 L CA 0.455 54.986 54.840 -0.514 0.000 0.888 1023 L CB 0.094 41.774 42.059 -0.632 0.000 1.217 1023 L HN 1.093 nan 8.230 nan 0.000 0.464 1024 A N 4.277 126.972 122.820 -0.208 0.000 5.584 1024 A HA -0.310 4.010 4.320 -0.000 0.000 0.303 1024 A C 0.770 178.266 177.584 -0.146 0.000 1.923 1024 A CA 1.328 53.277 52.037 -0.147 0.000 0.717 1024 A CB -1.049 17.842 19.000 -0.182 0.000 1.281 1024 A HN 0.960 nan 8.150 nan 0.000 0.379 1025 D N 0.081 120.443 120.400 -0.064 0.000 2.491 1025 D HA 0.353 4.993 4.640 -0.000 0.000 0.228 1025 D C 0.701 176.927 176.300 -0.124 0.000 1.183 1025 D CA 0.981 54.931 54.000 -0.083 0.000 0.827 1025 D CB -1.033 39.746 40.800 -0.035 0.000 0.989 1025 D HN 1.094 nan 8.370 nan 0.000 0.494 1026 T N -3.010 111.450 114.554 -0.157 0.000 2.849 1026 T HA 0.269 4.619 4.350 -0.000 0.000 0.276 1026 T C 0.787 175.501 174.700 0.023 0.000 0.971 1026 T CA -0.560 61.476 62.100 -0.107 0.000 0.949 1026 T CB 1.680 70.519 68.868 -0.049 0.000 1.093 1026 T HN -0.231 nan 8.240 nan 0.000 0.545 1027 E N -0.032 120.360 120.200 0.320 0.000 2.465 1027 E HA 0.275 4.625 4.350 -0.000 0.000 0.191 1027 E C -0.000 176.700 176.600 0.166 0.000 1.053 1027 E CA -0.090 56.444 56.400 0.224 0.000 0.869 1027 E CB -0.191 29.619 29.700 0.184 0.000 0.977 1027 E HN 0.548 nan 8.360 nan 0.000 0.483 1028 L N 0.653 121.892 121.223 0.027 0.000 2.331 1028 L HA 0.231 4.571 4.340 -0.000 0.000 0.278 1028 L C -0.434 176.328 176.870 -0.179 0.000 1.106 1028 L CA -0.261 54.571 54.840 -0.013 0.000 0.824 1028 L CB 0.489 42.514 42.059 -0.057 0.000 1.142 1028 L HN -0.066 nan 8.230 nan 0.000 0.443 1029 W N 4.698 125.952 121.300 -0.078 0.000 2.739 1029 W HA 0.593 5.253 4.660 -0.000 0.000 0.331 1029 W C -0.255 176.201 176.519 -0.104 0.000 1.049 1029 W CA -0.482 56.807 57.345 -0.092 0.000 1.234 1029 W CB 1.557 30.984 29.460 -0.054 0.000 1.404 1029 W HN 0.230 nan 8.180 nan 0.000 0.477 1030 I N -0.225 120.396 120.570 0.086 0.000 2.525 1030 I HA 0.654 4.824 4.170 -0.000 0.000 0.301 1030 I C -0.475 175.686 176.117 0.073 0.000 0.992 1030 I CA -1.022 60.278 61.300 0.001 0.000 1.162 1030 I CB 2.088 39.998 38.000 -0.151 0.000 1.332 1030 I HN 0.422 nan 8.210 nan 0.000 0.458 1031 E N 4.530 124.761 120.200 0.051 0.000 2.210 1031 E HA 0.421 4.771 4.350 -0.000 0.000 0.266 1031 E C -1.276 175.347 176.600 0.039 0.000 0.883 1031 E CA -0.914 55.520 56.400 0.057 0.000 0.761 1031 E CB 2.296 32.025 29.700 0.049 0.000 1.156 1031 E HN 0.620 nan 8.360 nan 0.000 0.412 1032 V N 4.929 124.873 119.914 0.049 0.000 2.493 1032 V HA -0.057 4.063 4.120 -0.000 0.000 0.292 1032 V C 1.032 177.157 176.094 0.053 0.000 1.016 1032 V CA 0.744 63.075 62.300 0.051 0.000 1.097 1032 V CB 0.673 32.542 31.823 0.077 0.000 0.947 1032 V HN 0.867 nan 8.190 nan 0.000 0.479 1033 E N 2.085 122.316 120.200 0.050 0.000 2.190 1033 E HA 0.061 4.411 4.350 -0.000 0.000 0.191 1033 E C 0.152 176.792 176.600 0.066 0.000 0.978 1033 E CA 0.486 56.920 56.400 0.058 0.000 0.839 1033 E CB 0.396 30.135 29.700 0.064 0.000 0.787 1033 E HN 0.772 nan 8.360 nan 0.000 0.473 1034 D N -0.820 119.624 120.400 0.074 0.000 2.622 1034 D HA 0.164 4.804 4.640 -0.000 0.000 0.255 1034 D C -1.982 174.363 176.300 0.075 0.000 1.246 1034 D CA -0.516 53.527 54.000 0.072 0.000 0.795 1034 D CB 2.032 42.883 40.800 0.085 0.000 1.369 1034 D HN -0.188 nan 8.370 nan 0.000 0.425 1035 D N 1.557 121.986 120.400 0.048 0.000 2.788 1035 D HA 0.262 4.902 4.640 -0.000 0.000 0.247 1035 D C 0.429 176.720 176.300 -0.014 0.000 1.236 1035 D CA -0.383 53.642 54.000 0.042 0.000 0.898 1035 D CB 1.409 42.242 40.800 0.056 0.000 1.401 1035 D HN 0.308 nan 8.370 nan 0.000 0.549 1036 L N 2.015 123.247 121.223 0.015 0.000 2.599 1036 L HA 0.120 4.460 4.340 -0.000 0.000 0.230 1036 L C 1.523 178.367 176.870 -0.044 0.000 1.141 1036 L CA 0.124 54.961 54.840 -0.006 0.000 0.877 1036 L CB -0.215 41.864 42.059 0.033 0.000 1.009 1036 L HN 0.312 nan 8.230 nan 0.000 0.447 1037 T N -0.114 114.391 114.554 -0.082 0.000 2.732 1037 T HA 0.171 4.521 4.350 -0.000 0.000 0.287 1037 T C 0.264 174.835 174.700 -0.214 0.000 0.993 1037 T CA 0.083 62.116 62.100 -0.112 0.000 0.966 1037 T CB 0.915 69.738 68.868 -0.074 0.000 1.047 1037 T HN 0.040 nan 8.240 nan 0.000 0.527 1038 T N 2.617 117.069 114.554 -0.170 0.000 2.833 1038 T HA 0.367 4.717 4.350 -0.000 0.000 0.297 1038 T C -0.888 173.744 174.700 -0.114 0.000 1.015 1038 T CA -0.231 61.767 62.100 -0.170 0.000 0.963 1038 T CB 0.019 68.843 68.868 -0.073 0.000 0.955 1038 T HN 0.504 nan 8.240 nan 0.000 0.449 1039 Y N 1.912 122.194 120.300 -0.030 0.000 2.729 1039 Y HA 0.278 4.828 4.550 -0.000 0.000 0.331 1039 Y C 1.717 177.605 175.900 -0.019 0.000 1.208 1039 Y CA 0.850 58.932 58.100 -0.030 0.000 1.521 1039 Y CB 0.261 38.688 38.460 -0.054 0.000 1.233 1039 Y HN 1.039 nan 8.280 nan 0.000 0.539 1040 G N 2.120 111.000 108.800 0.134 0.000 2.253 1040 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.209 1040 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.209 1040 G C 0.548 175.463 174.900 0.026 0.000 0.997 1040 G CA -0.143 45.000 45.100 0.072 0.000 0.640 1040 G HN 0.550 nan 8.290 nan 0.000 0.496 1041 E N 0.912 121.112 120.200 0.000 0.000 2.548 1041 E HA 0.226 4.576 4.350 -0.000 0.000 0.206 1041 E C 0.330 176.915 176.600 -0.025 0.000 1.005 1041 E CA 0.005 56.402 56.400 -0.005 0.000 0.951 1041 E CB 0.580 30.280 29.700 0.001 0.000 1.035 1041 E HN 0.674 nan 8.360 nan 0.000 0.470 1042 E N 0.943 121.084 120.200 -0.100 0.000 2.436 1042 E HA 0.066 4.416 4.350 -0.000 0.000 0.262 1042 E C 0.231 176.847 176.600 0.026 0.000 1.063 1042 E CA -0.036 56.307 56.400 -0.095 0.000 0.944 1042 E CB 0.709 30.176 29.700 -0.388 0.000 0.950 1042 E HN -0.085 nan 8.360 nan 0.000 0.444 1043 V N -0.717 119.243 119.914 0.077 0.000 2.472 1043 V HA 0.582 4.702 4.120 -0.000 0.000 0.290 1043 V C -0.176 176.018 176.094 0.167 0.000 1.037 1043 V CA -0.775 61.593 62.300 0.112 0.000 0.908 1043 V CB 1.260 33.140 31.823 0.096 0.000 0.985 1043 V HN 0.485 nan 8.190 nan 0.000 0.454 1044 K N 3.475 123.979 120.400 0.173 0.000 2.426 1044 K HA 0.625 4.945 4.320 -0.000 0.000 0.251 1044 K C -1.650 175.042 176.600 0.154 0.000 0.941 1044 K CA -0.529 55.860 56.287 0.169 0.000 0.808 1044 K CB 2.884 35.467 32.500 0.138 0.000 1.265 1044 K HN 0.743 nan 8.250 nan 0.000 0.432 1045 F N 0.882 120.855 119.950 0.038 0.000 2.480 1045 F HA 0.743 5.269 4.527 -0.000 0.000 0.329 1045 F C 0.128 175.935 175.800 0.012 0.000 1.091 1045 F CA 0.199 58.214 58.000 0.024 0.000 0.972 1045 F CB 1.675 40.687 39.000 0.020 0.000 1.150 1045 F HN 0.663 nan 8.300 nan 0.000 0.467 1046 G N 2.441 110.519 108.800 -1.203 0.000 2.356 1046 G HA2 0.356 4.316 3.960 -0.000 0.000 0.288 1046 G HA3 0.356 4.316 3.960 -0.000 0.000 0.288 1046 G C -0.751 173.829 174.900 -0.533 0.000 1.302 1046 G CA -0.465 44.118 45.100 -0.862 0.000 0.887 1046 G HN 1.070 nan 8.290 nan 0.000 0.521 1047 G N -0.627 107.986 108.800 -0.313 0.000 2.254 1047 G HA2 0.519 4.479 3.960 -0.000 0.000 0.253 1047 G HA3 0.519 4.479 3.960 -0.000 0.000 0.253 1047 G C 1.489 176.303 174.900 -0.143 0.000 1.246 1047 G CA 1.730 46.719 45.100 -0.184 0.000 0.946 1047 G HN 2.427 nan 8.290 nan 0.000 0.474 1048 G N 1.634 110.367 108.800 -0.112 0.000 2.187 1048 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.261 1048 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.261 1048 G C 0.711 175.569 174.900 -0.072 0.000 1.000 1048 G CA 1.033 46.088 45.100 -0.074 0.000 0.718 1048 G HN 0.789 nan 8.290 nan 0.000 0.519 1049 K N -1.079 119.254 120.400 -0.111 0.000 2.646 1049 K HA 0.567 4.887 4.320 -0.000 0.000 0.270 1049 K C 1.812 178.396 176.600 -0.026 0.000 1.026 1049 K CA -0.228 56.015 56.287 -0.074 0.000 1.043 1049 K CB 0.483 32.915 32.500 -0.113 0.000 1.383 1049 K HN -0.022 nan 8.250 nan 0.000 0.513 1050 V N 0.821 120.747 119.914 0.020 0.000 2.379 1050 V HA -0.123 3.997 4.120 -0.000 0.000 0.245 1050 V C 1.288 177.416 176.094 0.057 0.000 1.044 1050 V CA 1.146 63.475 62.300 0.048 0.000 1.036 1050 V CB -0.265 31.604 31.823 0.077 0.000 0.664 1050 V HN 0.512 nan 8.190 nan 0.000 0.453 1051 I N 3.082 123.706 120.570 0.090 0.000 2.366 1051 I HA 0.259 4.429 4.170 -0.000 0.000 0.302 1051 I C 0.389 176.585 176.117 0.131 0.000 1.194 1051 I CA 0.851 62.236 61.300 0.141 0.000 1.667 1051 I CB -1.676 36.473 38.000 0.248 0.000 1.501 1051 I HN 0.366 nan 8.210 nan 0.000 0.776 1052 R N 1.945 122.489 120.500 0.074 0.000 2.707 1052 R HA 0.256 4.596 4.340 -0.000 0.000 0.272 1052 R C -0.794 175.531 176.300 0.041 0.000 1.011 1052 R CA -1.118 55.014 56.100 0.053 0.000 0.893 1052 R CB 1.932 32.243 30.300 0.018 0.000 1.233 1052 R HN 0.227 nan 8.270 nan 0.000 0.464 1053 D N 0.288 120.709 120.400 0.035 0.000 2.531 1053 D HA 0.091 4.731 4.640 -0.000 0.000 0.239 1053 D C 1.212 177.524 176.300 0.020 0.000 1.144 1053 D CA 2.484 56.499 54.000 0.025 0.000 0.869 1053 D CB 0.442 41.254 40.800 0.020 0.000 1.160 1053 D HN 0.688 nan 8.370 nan 0.000 0.484 1054 G N 2.687 111.498 108.800 0.018 0.000 2.267 1054 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.257 1054 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.257 1054 G C 0.755 175.665 174.900 0.018 0.000 0.998 1054 G CA 0.885 45.995 45.100 0.015 0.000 0.620 1054 G HN 0.522 nan 8.290 nan 0.000 0.529 1055 M N -0.690 118.924 119.600 0.022 0.000 2.291 1055 M HA 0.502 4.982 4.480 -0.000 0.000 0.209 1055 M C 2.416 178.735 176.300 0.031 0.000 1.513 1055 M CA 0.772 56.088 55.300 0.026 0.000 1.855 1055 M CB -0.391 32.224 32.600 0.025 0.000 1.094 1055 M HN 0.118 nan 8.290 nan 0.000 0.893 1056 G N -0.012 108.813 108.800 0.041 0.000 2.679 1056 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.212 1056 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.212 1056 G C 0.430 175.358 174.900 0.046 0.000 1.137 1056 G CA 0.139 45.267 45.100 0.047 0.000 0.787 1056 G HN 0.492 nan 8.290 nan 0.000 0.534 1057 Q N 0.215 120.041 119.800 0.044 0.000 2.322 1057 Q HA 0.551 4.891 4.340 -0.000 0.000 0.265 1057 Q C 0.268 176.283 176.000 0.024 0.000 0.985 1057 Q CA -0.649 55.176 55.803 0.037 0.000 0.849 1057 Q CB 1.543 30.310 28.738 0.049 0.000 1.274 1057 Q HN 0.135 nan 8.270 nan 0.000 0.449 1058 G N 1.438 110.247 108.800 0.014 0.000 2.531 1058 G HA2 0.120 4.080 3.960 -0.000 0.000 0.281 1058 G HA3 0.120 4.080 3.960 -0.000 0.000 0.281 1058 G C 0.034 174.936 174.900 0.003 0.000 1.382 1058 G CA -0.192 44.913 45.100 0.009 0.000 1.045 1058 G HN 0.660 nan 8.290 nan 0.000 0.533 1059 Q N -0.067 119.734 119.800 0.001 0.000 2.198 1059 Q HA 0.118 4.458 4.340 -0.000 0.000 0.209 1059 Q C 0.947 176.943 176.000 -0.006 0.000 0.848 1059 Q CA -0.354 55.449 55.803 -0.001 0.000 0.974 1059 Q CB 0.320 29.059 28.738 0.001 0.000 1.115 1059 Q HN 0.641 nan 8.270 nan 0.000 0.494 1060 M N -0.694 118.899 119.600 -0.011 0.000 2.240 1060 M HA 0.274 4.754 4.480 -0.000 0.000 0.333 1060 M C -0.054 176.233 176.300 -0.021 0.000 1.110 1060 M CA -0.079 55.212 55.300 -0.016 0.000 1.173 1060 M CB 0.237 32.825 32.600 -0.019 0.000 1.458 1060 M HN -0.086 nan 8.290 nan 0.000 0.458 1061 L N 2.130 123.340 121.223 -0.020 0.000 2.479 1061 L HA 0.311 4.651 4.340 -0.000 0.000 0.248 1061 L C 1.898 178.747 176.870 -0.035 0.000 1.205 1061 L CA -0.192 54.635 54.840 -0.023 0.000 0.817 1061 L CB 0.276 42.325 42.059 -0.017 0.000 1.162 1061 L HN 1.008 nan 8.230 nan 0.000 0.486 1062 A N 1.040 123.838 122.820 -0.036 0.000 1.948 1062 A HA -0.204 4.116 4.320 -0.000 0.000 0.220 1062 A C 2.225 179.775 177.584 -0.057 0.000 1.177 1062 A CA 1.982 53.990 52.037 -0.048 0.000 0.636 1062 A CB -0.826 18.148 19.000 -0.042 0.000 0.815 1062 A HN 0.886 nan 8.150 nan 0.000 0.449 1063 A N -0.749 122.047 122.820 -0.040 0.000 2.121 1063 A HA -0.087 4.233 4.320 -0.000 0.000 0.218 1063 A C 1.281 178.833 177.584 -0.053 0.000 1.154 1063 A CA 1.535 53.551 52.037 -0.035 0.000 0.679 1063 A CB -0.243 18.750 19.000 -0.011 0.000 0.795 1063 A HN 0.467 nan 8.150 nan 0.000 0.458 1064 D N -0.902 119.463 120.400 -0.058 0.000 2.368 1064 D HA 0.192 4.832 4.640 -0.000 0.000 0.218 1064 D C 0.284 176.518 176.300 -0.110 0.000 1.112 1064 D CA 0.543 54.506 54.000 -0.062 0.000 0.834 1064 D CB -0.054 40.730 40.800 -0.026 0.000 0.953 1064 D HN 0.608 nan 8.370 nan 0.000 0.505 1065 C N -1.150 118.059 119.300 -0.152 0.000 3.171 1065 C HA 0.778 5.238 4.460 -0.000 0.000 0.308 1065 C C 0.377 175.202 174.990 -0.274 0.000 1.334 1065 C CA -1.183 57.721 59.018 -0.191 0.000 1.473 1065 C CB 1.145 28.819 27.740 -0.110 0.000 1.866 1065 C HN 0.015 nan 8.230 nan 0.000 0.465 1066 V N -0.078 119.658 119.914 -0.296 0.000 3.003 1066 V HA 0.411 4.531 4.120 -0.000 0.000 0.305 1066 V C 0.564 176.576 176.094 -0.137 0.000 1.078 1066 V CA 0.489 62.624 62.300 -0.275 0.000 1.083 1066 V CB 0.705 32.387 31.823 -0.235 0.000 1.039 1066 V HN 0.905 nan 8.190 nan 0.000 0.481 1067 D N 0.717 121.060 120.400 -0.094 0.000 2.249 1067 D HA 0.173 4.813 4.640 -0.000 0.000 0.205 1067 D C 0.162 176.431 176.300 -0.052 0.000 0.962 1067 D CA 1.212 55.175 54.000 -0.063 0.000 0.860 1067 D CB 0.551 41.328 40.800 -0.038 0.000 0.955 1067 D HN 0.507 nan 8.370 nan 0.000 0.505 1068 L N -0.034 121.167 121.223 -0.036 0.000 2.472 1068 L HA 0.468 4.808 4.340 -0.000 0.000 0.260 1068 L C -1.717 175.151 176.870 -0.003 0.000 0.963 1068 L CA -0.890 53.935 54.840 -0.023 0.000 0.829 1068 L CB 2.453 44.510 42.059 -0.003 0.000 1.348 1068 L HN -0.289 nan 8.230 nan 0.000 0.408 1069 V N 5.566 125.478 119.914 -0.003 0.000 2.588 1069 V HA 0.641 4.761 4.120 -0.000 0.000 0.304 1069 V C -1.334 174.781 176.094 0.034 0.000 1.042 1069 V CA -0.478 61.838 62.300 0.027 0.000 0.877 1069 V CB 1.925 33.765 31.823 0.029 0.000 0.996 1069 V HN 0.710 nan 8.190 nan 0.000 0.425 1070 L N 6.435 127.694 121.223 0.060 0.000 2.276 1070 L HA 0.532 4.872 4.340 -0.000 0.000 0.286 1070 L C 0.644 177.566 176.870 0.086 0.000 1.024 1070 L CA 0.050 54.931 54.840 0.068 0.000 0.826 1070 L CB 1.599 43.706 42.059 0.080 0.000 1.211 1070 L HN 0.832 nan 8.230 nan 0.000 0.422 1071 T N -0.370 114.237 114.554 0.088 0.000 2.856 1071 T HA 0.294 4.644 4.350 -0.000 0.000 0.292 1071 T C 0.595 175.368 174.700 0.121 0.000 0.980 1071 T CA -0.656 61.508 62.100 0.107 0.000 1.091 1071 T CB 0.535 69.475 68.868 0.121 0.000 0.936 1071 T HN 0.602 nan 8.240 nan 0.000 0.503 1072 N N -0.041 118.737 118.700 0.130 0.000 2.727 1072 N HA -0.161 4.579 4.740 -0.000 0.000 0.249 1072 N C 0.142 175.735 175.510 0.138 0.000 1.048 1072 N CA 0.831 53.970 53.050 0.148 0.000 0.714 1072 N CB -1.707 36.891 38.487 0.185 0.000 0.959 1072 N HN 1.126 nan 8.380 nan 0.000 0.544 1073 A N 0.183 123.079 122.820 0.128 0.000 2.371 1073 A HA 0.484 4.804 4.320 -0.000 0.000 0.257 1073 A C 0.526 178.182 177.584 0.119 0.000 1.089 1073 A CA -0.387 51.725 52.037 0.125 0.000 0.794 1073 A CB 0.618 19.695 19.000 0.127 0.000 1.029 1073 A HN 0.331 nan 8.150 nan 0.000 0.488 1074 L N 3.884 125.171 121.223 0.106 0.000 2.272 1074 L HA 0.506 4.846 4.340 -0.000 0.000 0.284 1074 L C -0.532 176.370 176.870 0.052 0.000 1.045 1074 L CA -0.224 54.661 54.840 0.075 0.000 0.842 1074 L CB -0.021 42.071 42.059 0.054 0.000 1.224 1074 L HN 0.547 nan 8.230 nan 0.000 0.430 1075 I N 5.257 125.847 120.570 0.034 0.000 2.496 1075 I HA 0.217 4.387 4.170 -0.000 0.000 0.285 1075 I C -0.277 175.758 176.117 -0.135 0.000 1.080 1075 I CA -0.179 61.110 61.300 -0.018 0.000 1.404 1075 I CB 1.139 39.122 38.000 -0.028 0.000 1.403 1075 I HN 0.285 nan 8.210 nan 0.000 0.539 1076 V N 5.943 125.786 119.914 -0.118 0.000 2.376 1076 V HA 0.439 4.559 4.120 -0.000 0.000 0.287 1076 V C -0.552 175.424 176.094 -0.196 0.000 1.015 1076 V CA -0.266 61.928 62.300 -0.176 0.000 0.834 1076 V CB 1.506 33.235 31.823 -0.157 0.000 1.001 1076 V HN 0.708 nan 8.190 nan 0.000 0.428 1077 D N 0.990 121.138 120.400 -0.419 0.000 2.626 1077 D HA 0.291 4.931 4.640 -0.000 0.000 0.278 1077 D C 0.767 176.815 176.300 -0.420 0.000 1.211 1077 D CA -0.393 53.334 54.000 -0.454 0.000 0.903 1077 D CB 1.434 41.754 40.800 -0.800 0.000 1.408 1077 D HN 0.679 nan 8.370 nan 0.000 0.454 1078 H N -0.233 118.751 119.070 -0.142 0.000 2.489 1078 H HA -0.010 4.546 4.556 -0.000 0.000 0.293 1078 H C 1.391 176.859 175.328 0.234 0.000 1.066 1078 H CA 1.607 57.713 56.048 0.097 0.000 1.305 1078 H CB -0.327 29.515 29.762 0.132 0.000 1.386 1078 H HN 0.497 nan 8.280 nan 0.000 0.551 1079 W N 0.351 121.458 121.300 -0.321 0.000 3.197 1079 W HA 0.577 5.237 4.660 -0.000 0.000 0.274 1079 W C -0.203 176.327 176.519 0.019 0.000 1.297 1079 W CA 0.119 57.401 57.345 -0.104 0.000 1.662 1079 W CB 0.255 29.544 29.460 -0.285 0.000 1.106 1079 W HN 0.391 nan 8.180 nan 0.000 0.663 1080 G N 1.067 109.703 108.800 -0.274 0.000 2.340 1080 G HA2 0.363 4.323 3.960 -0.000 0.000 0.300 1080 G HA3 0.363 4.323 3.960 -0.000 0.000 0.300 1080 G C -2.085 172.596 174.900 -0.365 0.000 1.488 1080 G CA -1.120 43.892 45.100 -0.147 0.000 0.878 1080 G HN 0.049 nan 8.290 nan 0.000 0.618 1081 I N 1.401 121.877 120.570 -0.156 0.000 2.428 1081 I HA 0.511 4.681 4.170 -0.000 0.000 0.279 1081 I C 0.182 176.270 176.117 -0.049 0.000 1.040 1081 I CA -0.950 60.267 61.300 -0.138 0.000 1.171 1081 I CB 1.497 39.442 38.000 -0.092 0.000 1.312 1081 I HN 0.600 nan 8.210 nan 0.000 0.470 1082 V N 3.213 123.100 119.914 -0.044 0.000 2.876 1082 V HA 0.646 4.766 4.120 -0.000 0.000 0.312 1082 V C -0.679 175.465 176.094 0.084 0.000 1.085 1082 V CA -0.932 61.406 62.300 0.062 0.000 0.945 1082 V CB 2.117 34.038 31.823 0.164 0.000 1.017 1082 V HN 0.545 nan 8.190 nan 0.000 0.428 1083 K N 3.449 123.910 120.400 0.102 0.000 2.258 1083 K HA 0.874 5.194 4.320 -0.000 0.000 0.284 1083 K C -0.343 176.330 176.600 0.121 0.000 1.051 1083 K CA 0.828 57.186 56.287 0.118 0.000 0.923 1083 K CB 0.807 33.391 32.500 0.140 0.000 1.046 1083 K HN 1.639 nan 8.250 nan 0.000 0.474 1084 A N 3.426 126.323 122.820 0.128 0.000 2.586 1084 A HA 0.397 4.716 4.320 -0.000 0.000 0.291 1084 A C -1.698 175.959 177.584 0.122 0.000 1.062 1084 A CA -0.982 51.129 52.037 0.122 0.000 0.666 1084 A CB 0.808 19.900 19.000 0.152 0.000 1.281 1084 A HN 0.672 nan 8.150 nan 0.000 0.421 1085 D N 0.451 120.916 120.400 0.109 0.000 2.225 1085 D HA 0.587 5.227 4.640 -0.000 0.000 0.249 1085 D C -0.518 175.854 176.300 0.121 0.000 1.052 1085 D CA 0.367 54.432 54.000 0.108 0.000 0.909 1085 D CB 1.395 42.252 40.800 0.094 0.000 1.186 1085 D HN 0.425 nan 8.370 nan 0.000 0.431 1086 I N 0.811 121.454 120.570 0.122 0.000 2.389 1086 I HA 0.372 4.542 4.170 -0.000 0.000 0.288 1086 I C 0.616 176.810 176.117 0.129 0.000 0.999 1086 I CA -0.718 60.663 61.300 0.135 0.000 1.129 1086 I CB 2.073 40.156 38.000 0.139 0.000 1.288 1086 I HN 0.196 nan 8.210 nan 0.000 0.444 1087 G N 5.418 114.316 108.800 0.164 0.000 2.379 1087 G HA2 0.640 4.600 3.960 -0.000 0.000 0.327 1087 G HA3 0.640 4.600 3.960 -0.000 0.000 0.327 1087 G C -1.034 173.980 174.900 0.190 0.000 1.145 1087 G CA -0.361 44.837 45.100 0.163 0.000 0.905 1087 G HN 0.330 nan 8.290 nan 0.000 0.466 1088 V N 1.756 121.742 119.914 0.121 0.000 2.656 1088 V HA 0.683 4.803 4.120 -0.000 0.000 0.307 1088 V C -0.144 175.997 176.094 0.078 0.000 1.051 1088 V CA -0.813 61.560 62.300 0.122 0.000 0.893 1088 V CB 1.956 33.831 31.823 0.086 0.000 0.999 1088 V HN 0.813 nan 8.190 nan 0.000 0.426 1089 K N 2.593 123.059 120.400 0.110 0.000 2.535 1089 K HA 0.344 4.664 4.320 -0.000 0.000 0.251 1089 K C -0.794 175.862 176.600 0.095 0.000 0.942 1089 K CA -0.527 55.794 56.287 0.055 0.000 0.798 1089 K CB 1.532 34.038 32.500 0.009 0.000 1.267 1089 K HN 0.761 nan 8.250 nan 0.000 0.434 1090 D N 2.918 123.358 120.400 0.066 0.000 2.751 1090 D HA -0.201 4.439 4.640 -0.000 0.000 0.233 1090 D C 0.546 176.912 176.300 0.110 0.000 1.149 1090 D CA 1.708 55.762 54.000 0.090 0.000 0.682 1090 D CB -0.989 39.866 40.800 0.092 0.000 1.068 1090 D HN 1.112 nan 8.370 nan 0.000 0.429 1091 G N -0.252 108.609 108.800 0.102 0.000 2.155 1091 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.257 1091 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.257 1091 G C 0.351 175.306 174.900 0.093 0.000 0.983 1091 G CA 0.887 46.048 45.100 0.103 0.000 0.676 1091 G HN 0.546 nan 8.290 nan 0.000 0.528 1092 R N -0.863 119.700 120.500 0.104 0.000 2.854 1092 R HA 0.595 4.935 4.340 -0.000 0.000 0.271 1092 R C 0.136 176.516 176.300 0.133 0.000 0.994 1092 R CA -1.269 54.896 56.100 0.108 0.000 0.945 1092 R CB 1.090 31.451 30.300 0.101 0.000 1.194 1092 R HN 0.059 nan 8.270 nan 0.000 0.476 1093 I N 3.118 123.760 120.570 0.121 0.000 2.494 1093 I HA -0.067 4.103 4.170 -0.000 0.000 0.289 1093 I C 1.064 177.260 176.117 0.132 0.000 1.106 1093 I CA 0.496 61.875 61.300 0.131 0.000 1.369 1093 I CB -0.357 37.708 38.000 0.108 0.000 1.410 1093 I HN 0.686 nan 8.210 nan 0.000 0.523 1094 F N 6.214 126.190 119.950 0.043 0.000 2.118 1094 F HA 0.336 4.863 4.527 -0.000 0.000 0.293 1094 F C 0.988 176.803 175.800 0.025 0.000 1.102 1094 F CA 0.859 58.879 58.000 0.032 0.000 1.247 1094 F CB 0.448 39.466 39.000 0.030 0.000 1.017 1094 F HN 0.508 nan 8.300 nan 0.000 0.475 1095 A N -0.423 122.446 122.820 0.081 0.000 2.610 1095 A HA 0.617 4.937 4.320 -0.000 0.000 0.291 1095 A C -1.615 176.018 177.584 0.082 0.000 1.086 1095 A CA -0.586 51.441 52.037 -0.017 0.000 0.677 1095 A CB 0.645 19.662 19.000 0.027 0.000 1.278 1095 A HN 0.102 nan 8.150 nan 0.000 0.414 1096 I N 1.323 121.919 120.570 0.043 0.000 2.411 1096 I HA 0.646 4.816 4.170 -0.000 0.000 0.284 1096 I C 0.694 176.849 176.117 0.064 0.000 1.012 1096 I CA 0.413 61.765 61.300 0.086 0.000 1.119 1096 I CB 1.701 39.759 38.000 0.097 0.000 1.261 1096 I HN 1.114 nan 8.210 nan 0.000 0.448 1097 G N 5.249 114.100 108.800 0.085 0.000 2.586 1097 G HA2 0.194 4.154 3.960 -0.000 0.000 0.105 1097 G HA3 0.194 4.154 3.960 -0.000 0.000 0.105 1097 G C -1.583 173.356 174.900 0.065 0.000 1.129 1097 G CA -0.438 44.700 45.100 0.062 0.000 1.127 1097 G HN 0.278 nan 8.290 nan 0.000 0.532 1098 K N 1.182 121.615 120.400 0.056 0.000 2.483 1098 K HA 0.729 5.049 4.320 -0.000 0.000 0.256 1098 K C -0.279 176.355 176.600 0.057 0.000 0.961 1098 K CA -0.239 56.075 56.287 0.046 0.000 0.873 1098 K CB 1.020 33.532 32.500 0.020 0.000 1.107 1098 K HN 0.838 nan 8.250 nan 0.000 0.432 1099 A N 2.396 125.252 122.820 0.061 0.000 2.302 1099 A HA 0.838 5.158 4.320 -0.000 0.000 0.285 1099 A C 0.361 177.975 177.584 0.049 0.000 1.105 1099 A CA 0.433 52.506 52.037 0.060 0.000 0.816 1099 A CB 0.781 19.820 19.000 0.065 0.000 1.067 1099 A HN 0.880 nan 8.150 nan 0.000 0.489 1100 G N 0.298 109.123 108.800 0.042 0.000 2.368 1100 G HA2 0.311 4.270 3.960 -0.000 0.000 0.269 1100 G HA3 0.311 4.270 3.960 -0.000 0.000 0.269 1100 G C -1.562 173.355 174.900 0.029 0.000 1.291 1100 G CA -0.333 44.790 45.100 0.038 0.000 0.903 1100 G HN 1.036 nan 8.290 nan 0.000 0.483 1101 N N 0.711 119.427 118.700 0.027 0.000 2.446 1101 N HA 0.620 5.360 4.740 -0.000 0.000 0.265 1101 N C -1.751 173.771 175.510 0.020 0.000 0.975 1101 N CA -2.332 50.731 53.050 0.021 0.000 0.928 1101 N CB 2.578 41.078 38.487 0.022 0.000 1.160 1101 N HN 0.010 nan 8.380 nan 0.000 0.495 1102 P HA 0.021 nan 4.420 nan 0.000 0.226 1102 P C 0.244 177.554 177.300 0.016 0.000 1.153 1102 P CA 0.684 63.795 63.100 0.019 0.000 0.777 1102 P CB 0.446 32.158 31.700 0.020 0.000 0.794 1103 D N -0.622 119.786 120.400 0.014 0.000 2.218 1103 D HA -0.105 4.535 4.640 -0.000 0.000 0.204 1103 D C 1.541 177.849 176.300 0.014 0.000 0.976 1103 D CA 1.194 55.202 54.000 0.013 0.000 0.853 1103 D CB -0.049 40.758 40.800 0.012 0.000 0.939 1103 D HN 0.354 nan 8.370 nan 0.000 0.481 1104 I N -4.065 116.515 120.570 0.016 0.000 4.655 1104 I HA 0.230 4.400 4.170 -0.000 0.000 0.333 1104 I C -0.031 176.096 176.117 0.017 0.000 1.312 1104 I CA -0.409 60.901 61.300 0.016 0.000 1.270 1104 I CB 0.397 38.407 38.000 0.017 0.000 1.318 1104 I HN -0.334 nan 8.210 nan 0.000 0.456 1105 Q N 3.449 123.259 119.800 0.018 0.000 2.306 1105 Q HA 0.567 4.907 4.340 -0.000 0.000 0.265 1105 Q C -2.584 173.424 176.000 0.015 0.000 1.022 1105 Q CA -1.991 53.822 55.803 0.018 0.000 0.853 1105 Q CB 2.204 30.955 28.738 0.021 0.000 1.327 1105 Q HN 0.083 nan 8.270 nan 0.000 0.449 1106 P HA 0.154 nan 4.420 nan 0.000 0.284 1106 P C -0.962 176.342 177.300 0.006 0.000 1.258 1106 P CA -0.190 62.915 63.100 0.008 0.000 0.824 1106 P CB 0.718 32.421 31.700 0.004 0.000 1.038 1107 N N -1.871 116.832 118.700 0.006 0.000 2.741 1107 N HA -0.127 4.613 4.740 -0.000 0.000 0.251 1107 N C -0.392 175.127 175.510 0.014 0.000 1.112 1107 N CA -0.021 53.032 53.050 0.005 0.000 0.750 1107 N CB -1.599 36.882 38.487 -0.009 0.000 1.119 1107 N HN 0.161 nan 8.380 nan 0.000 0.561 1108 V N 1.443 121.370 119.914 0.022 0.000 2.450 1108 V HA 0.053 4.173 4.120 -0.000 0.000 0.281 1108 V C 1.744 177.868 176.094 0.050 0.000 1.019 1108 V CA 1.323 63.644 62.300 0.034 0.000 1.062 1108 V CB 0.985 32.828 31.823 0.033 0.000 0.979 1108 V HN 0.453 nan 8.190 nan 0.000 0.477 1109 T N 1.856 116.449 114.554 0.065 0.000 3.023 1109 T HA 0.379 4.729 4.350 -0.000 0.000 0.253 1109 T C 0.273 175.079 174.700 0.178 0.000 1.038 1109 T CA 0.161 62.319 62.100 0.097 0.000 0.962 1109 T CB 0.037 68.946 68.868 0.068 0.000 1.018 1109 T HN 0.349 nan 8.240 nan 0.000 0.521 1110 I N 3.446 124.100 120.570 0.140 0.000 2.495 1110 I HA 0.383 4.553 4.170 -0.000 0.000 0.277 1110 I C -2.757 173.390 176.117 0.049 0.000 1.045 1110 I CA -2.732 58.653 61.300 0.141 0.000 1.135 1110 I CB 2.128 40.211 38.000 0.139 0.000 1.241 1110 I HN -0.065 nan 8.210 nan 0.000 0.469 1111 P HA 0.302 nan 4.420 nan 0.000 0.276 1111 P C -0.546 176.726 177.300 -0.046 0.000 1.230 1111 P CA 0.024 63.111 63.100 -0.021 0.000 0.776 1111 P CB 1.049 32.730 31.700 -0.032 0.000 0.888 1112 I N 2.081 122.640 120.570 -0.017 0.000 2.404 1112 I HA 0.613 4.783 4.170 -0.000 0.000 0.293 1112 I C 0.967 177.074 176.117 -0.016 0.000 0.992 1112 I CA -0.171 61.118 61.300 -0.017 0.000 1.149 1112 I CB 1.938 39.945 38.000 0.012 0.000 1.315 1112 I HN 0.421 nan 8.210 nan 0.000 0.446 1113 G N 2.721 111.504 108.800 -0.028 0.000 3.086 1113 G HA2 0.550 4.510 3.960 -0.000 0.000 0.282 1113 G HA3 0.550 4.510 3.960 -0.000 0.000 0.282 1113 G C 0.570 175.459 174.900 -0.019 0.000 1.343 1113 G CA 0.065 45.153 45.100 -0.021 0.000 0.895 1113 G HN 0.613 nan 8.290 nan 0.000 0.557 1114 A N -0.581 122.229 122.820 -0.017 0.000 1.948 1114 A HA 0.152 4.472 4.320 -0.000 0.000 0.220 1114 A C 2.449 180.014 177.584 -0.031 0.000 1.177 1114 A CA 2.812 54.839 52.037 -0.017 0.000 0.636 1114 A CB -0.813 18.177 19.000 -0.015 0.000 0.815 1114 A HN 1.600 nan 8.150 nan 0.000 0.449 1115 A N -0.950 121.846 122.820 -0.040 0.000 2.252 1115 A HA 0.301 4.621 4.320 -0.000 0.000 0.207 1115 A C 0.806 178.353 177.584 -0.062 0.000 1.194 1115 A CA 0.855 52.861 52.037 -0.052 0.000 0.809 1115 A CB -0.606 18.362 19.000 -0.054 0.000 0.814 1115 A HN 0.313 nan 8.150 nan 0.000 0.482 1116 T N 0.839 115.357 114.554 -0.059 0.000 2.749 1116 T HA 0.427 4.777 4.350 -0.000 0.000 0.287 1116 T C -0.248 174.400 174.700 -0.086 0.000 0.970 1116 T CA -0.369 61.691 62.100 -0.067 0.000 0.980 1116 T CB 1.470 70.305 68.868 -0.054 0.000 0.924 1116 T HN 0.456 nan 8.240 nan 0.000 0.456 1117 E N 2.456 122.598 120.200 -0.097 0.000 2.280 1117 E HA 0.561 4.911 4.350 -0.000 0.000 0.264 1117 E C -1.141 175.371 176.600 -0.146 0.000 1.064 1117 E CA -0.665 55.651 56.400 -0.140 0.000 0.900 1117 E CB 0.890 30.521 29.700 -0.114 0.000 1.123 1117 E HN 0.318 nan 8.360 nan 0.000 0.418 1118 V N 3.468 123.246 119.914 -0.227 0.000 2.709 1118 V HA 0.468 4.588 4.120 -0.000 0.000 0.308 1118 V C -0.328 175.677 176.094 -0.149 0.000 1.062 1118 V CA -0.689 61.501 62.300 -0.183 0.000 0.901 1118 V CB 1.673 33.340 31.823 -0.260 0.000 1.003 1118 V HN 0.641 nan 8.190 nan 0.000 0.425 1119 I N 3.011 123.548 120.570 -0.056 0.000 2.436 1119 I HA 0.623 4.793 4.170 -0.000 0.000 0.289 1119 I C 0.379 176.510 176.117 0.023 0.000 1.010 1119 I CA -0.710 60.578 61.300 -0.020 0.000 1.098 1119 I CB 1.976 39.975 38.000 -0.002 0.000 1.266 1119 I HN 0.717 nan 8.210 nan 0.000 0.434 1120 A N 5.009 127.855 122.820 0.043 0.000 2.437 1120 A HA 0.570 4.890 4.320 -0.000 0.000 0.303 1120 A C 0.827 178.455 177.584 0.074 0.000 1.324 1120 A CA -0.104 51.981 52.037 0.080 0.000 0.983 1120 A CB 0.238 19.299 19.000 0.101 0.000 1.142 1120 A HN 0.900 nan 8.150 nan 0.000 0.541 1121 A N 2.801 125.673 122.820 0.087 0.000 2.308 1121 A HA 0.226 4.546 4.320 -0.000 0.000 0.217 1121 A C 0.787 178.432 177.584 0.101 0.000 1.216 1121 A CA -0.170 51.923 52.037 0.093 0.000 0.864 1121 A CB -0.156 18.904 19.000 0.101 0.000 0.902 1121 A HN 0.814 nan 8.150 nan 0.000 0.499 1122 E N 0.038 120.297 120.200 0.099 0.000 2.480 1122 E HA 0.265 4.615 4.350 -0.000 0.000 0.258 1122 E C 0.876 177.523 176.600 0.078 0.000 0.984 1122 E CA 0.591 57.050 56.400 0.099 0.000 0.930 1122 E CB 0.052 29.801 29.700 0.082 0.000 0.936 1122 E HN 0.884 nan 8.360 nan 0.000 0.466 1123 G N 2.742 111.594 108.800 0.087 0.000 2.176 1123 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.253 1123 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.253 1123 G C 0.060 175.017 174.900 0.095 0.000 0.979 1123 G CA 0.369 45.516 45.100 0.078 0.000 0.641 1123 G HN 0.479 nan 8.290 nan 0.000 0.530 1124 K N -0.125 120.341 120.400 0.110 0.000 2.211 1124 K HA 0.774 5.094 4.320 -0.000 0.000 0.237 1124 K C 0.153 176.845 176.600 0.152 0.000 1.002 1124 K CA -0.912 55.461 56.287 0.144 0.000 0.885 1124 K CB 1.631 34.218 32.500 0.145 0.000 1.136 1124 K HN 0.221 nan 8.250 nan 0.000 0.448 1125 I N 1.176 121.877 120.570 0.219 0.000 2.412 1125 I HA 0.239 4.409 4.170 -0.000 0.000 0.296 1125 I C -0.559 175.777 176.117 0.365 0.000 0.987 1125 I CA -1.039 60.390 61.300 0.215 0.000 1.180 1125 I CB 1.796 39.883 38.000 0.144 0.000 1.340 1125 I HN 0.003 nan 8.210 nan 0.000 0.455 1126 V N 4.530 124.611 119.914 0.279 0.000 2.495 1126 V HA 0.545 4.665 4.120 -0.000 0.000 0.298 1126 V C 0.130 176.409 176.094 0.309 0.000 1.031 1126 V CA -0.478 62.001 62.300 0.297 0.000 0.871 1126 V CB 1.773 33.709 31.823 0.189 0.000 0.988 1126 V HN 0.878 nan 8.190 nan 0.000 0.432 1127 T N 1.686 116.493 114.554 0.420 0.000 2.926 1127 T HA 0.877 5.227 4.350 -0.000 0.000 0.289 1127 T C 0.023 174.911 174.700 0.314 0.000 1.054 1127 T CA -0.303 62.030 62.100 0.389 0.000 1.015 1127 T CB 1.985 71.195 68.868 0.571 0.000 1.167 1127 T HN 1.014 nan 8.240 nan 0.000 0.526 1128 A N 0.480 123.464 122.820 0.273 0.000 2.346 1128 A HA 0.688 5.007 4.320 -0.000 0.000 0.252 1128 A C 0.990 178.744 177.584 0.284 0.000 1.089 1128 A CA -0.179 52.004 52.037 0.243 0.000 0.797 1128 A CB -0.685 18.447 19.000 0.221 0.000 1.047 1128 A HN 1.364 nan 8.150 nan 0.000 0.494 1129 G N -0.482 108.457 108.800 0.231 0.000 2.491 1129 G HA2 0.471 4.431 3.960 -0.000 0.000 0.242 1129 G HA3 0.471 4.431 3.960 -0.000 0.000 0.242 1129 G C 0.527 175.595 174.900 0.281 0.000 1.266 1129 G CA 0.202 45.440 45.100 0.231 0.000 0.844 1129 G HN 1.135 nan 8.290 nan 0.000 0.571 1130 G N -0.425 108.566 108.800 0.320 0.000 2.569 1130 G HA2 0.456 4.416 3.960 -0.000 0.000 0.249 1130 G HA3 0.456 4.416 3.960 -0.000 0.000 0.249 1130 G C -0.201 174.846 174.900 0.246 0.000 1.216 1130 G CA -0.540 44.785 45.100 0.375 0.000 0.845 1130 G HN 0.527 nan 8.290 nan 0.000 0.568 1131 I N 1.747 122.460 120.570 0.239 0.000 2.493 1131 I HA 0.175 4.345 4.170 -0.000 0.000 0.279 1131 I C -1.192 175.010 176.117 0.141 0.000 1.045 1131 I CA -0.674 60.727 61.300 0.169 0.000 1.106 1131 I CB 1.549 39.638 38.000 0.147 0.000 1.216 1131 I HN 0.357 nan 8.210 nan 0.000 0.459 1132 D N 4.725 125.183 120.400 0.096 0.000 2.317 1132 D HA 0.242 4.882 4.640 -0.000 0.000 0.234 1132 D C 0.970 177.283 176.300 0.022 0.000 1.112 1132 D CA -0.055 53.976 54.000 0.051 0.000 0.840 1132 D CB 1.533 42.334 40.800 0.002 0.000 1.078 1132 D HN 0.589 nan 8.370 nan 0.000 0.486 1133 T N 0.324 114.906 114.554 0.046 0.000 3.186 1133 T HA 0.120 4.470 4.350 -0.000 0.000 0.257 1133 T C 0.556 175.242 174.700 -0.025 0.000 1.029 1133 T CA -0.167 61.945 62.100 0.020 0.000 0.916 1133 T CB -0.459 68.496 68.868 0.144 0.000 1.041 1133 T HN 0.508 nan 8.240 nan 0.000 0.562 1134 H N 0.719 119.634 119.070 -0.258 0.000 2.379 1134 H HA 0.461 5.017 4.556 -0.000 0.000 0.229 1134 H C -0.926 174.205 175.328 -0.329 0.000 1.423 1134 H CA -0.989 54.748 56.048 -0.519 0.000 1.375 1134 H CB -0.085 29.159 29.762 -0.864 0.000 1.592 1134 H HN 0.160 nan 8.280 nan 0.000 0.507 1135 I N 2.458 122.915 120.570 -0.190 0.000 2.353 1135 I HA 0.139 4.309 4.170 -0.000 0.000 0.293 1135 I C 0.312 176.174 176.117 -0.425 0.000 0.992 1135 I CA -0.325 60.756 61.300 -0.364 0.000 1.268 1135 I CB 1.112 38.653 38.000 -0.765 0.000 1.387 1135 I HN 0.589 nan 8.210 nan 0.000 0.478 1136 H N 5.420 124.329 119.070 -0.267 0.000 2.594 1136 H HA 0.116 4.672 4.556 -0.000 0.000 0.304 1136 H C -0.667 174.536 175.328 -0.208 0.000 1.068 1136 H CA -0.294 55.671 56.048 -0.137 0.000 1.308 1136 H CB 0.697 30.455 29.762 -0.007 0.000 1.409 1136 H HN 0.560 nan 8.280 nan 0.000 0.460 1137 W N 5.176 126.540 121.300 0.106 0.000 1.224 1137 W HA 0.110 4.770 4.660 -0.000 0.000 0.503 1137 W C 0.998 177.557 176.519 0.067 0.000 0.592 1137 W CA -0.294 57.092 57.345 0.069 0.000 2.414 1137 W CB -0.539 28.939 29.460 0.030 0.000 1.352 1137 W HN 0.638 nan 8.180 nan 0.000 0.226 1138 I N 0.904 121.623 120.570 0.250 0.000 2.353 1138 I HA -0.130 4.040 4.170 -0.000 0.000 0.248 1138 I C 1.254 177.478 176.117 0.178 0.000 1.119 1138 I CA 0.771 62.186 61.300 0.191 0.000 1.417 1138 I CB -0.227 37.892 38.000 0.199 0.000 1.078 1138 I HN 0.224 nan 8.210 nan 0.000 0.421 1139 C N -2.430 116.992 119.300 0.204 0.000 3.170 1139 C HA 0.410 4.870 4.460 -0.000 0.000 0.319 1139 C C -2.012 173.114 174.990 0.227 0.000 1.260 1139 C CA -1.399 57.722 59.018 0.172 0.000 1.374 1139 C CB 1.282 29.092 27.740 0.116 0.000 1.739 1139 C HN -0.031 nan 8.230 nan 0.000 0.479 1140 P HA -0.032 nan 4.420 nan 0.000 0.229 1140 P C 1.031 178.424 177.300 0.155 0.000 1.160 1140 P CA 1.404 64.601 63.100 0.162 0.000 0.777 1140 P CB 0.212 31.954 31.700 0.069 0.000 0.814 1141 Q N 0.192 120.063 119.800 0.119 0.000 2.291 1141 Q HA -0.121 4.219 4.340 -0.000 0.000 0.206 1141 Q C 2.328 178.385 176.000 0.094 0.000 0.976 1141 Q CA 1.294 57.150 55.803 0.088 0.000 0.875 1141 Q CB -0.804 27.970 28.738 0.059 0.000 0.927 1141 Q HN 0.439 nan 8.270 nan 0.000 0.450 1142 Q N -0.518 119.359 119.800 0.128 0.000 2.291 1142 Q HA -0.110 4.230 4.340 -0.000 0.000 0.206 1142 Q C 1.936 178.007 176.000 0.118 0.000 0.976 1142 Q CA 1.018 56.877 55.803 0.093 0.000 0.875 1142 Q CB -0.166 28.612 28.738 0.067 0.000 0.927 1142 Q HN 0.468 nan 8.270 nan 0.000 0.450 1143 A N 1.456 124.397 122.820 0.202 0.000 1.858 1143 A HA -0.260 4.060 4.320 -0.000 0.000 0.216 1143 A C 1.922 179.566 177.584 0.100 0.000 1.190 1143 A CA 1.688 53.843 52.037 0.196 0.000 0.617 1143 A CB -0.531 18.595 19.000 0.210 0.000 0.827 1143 A HN 0.415 nan 8.150 nan 0.000 0.443 1144 E N -0.728 119.515 120.200 0.072 0.000 2.150 1144 E HA -0.221 4.129 4.350 -0.000 0.000 0.193 1144 E C 1.926 178.528 176.600 0.004 0.000 0.985 1144 E CA 1.242 57.664 56.400 0.036 0.000 0.814 1144 E CB -0.071 29.651 29.700 0.038 0.000 0.752 1144 E HN 0.598 nan 8.360 nan 0.000 0.466 1145 E N 0.371 120.578 120.200 0.012 0.000 2.051 1145 E HA -0.167 4.183 4.350 -0.000 0.000 0.192 1145 E C 1.770 178.347 176.600 -0.039 0.000 0.991 1145 E CA 1.609 57.998 56.400 -0.019 0.000 0.799 1145 E CB -0.284 29.411 29.700 -0.009 0.000 0.748 1145 E HN 0.347 nan 8.360 nan 0.000 0.449 1146 A N 0.127 122.940 122.820 -0.012 0.000 1.930 1146 A HA -0.107 4.213 4.320 -0.000 0.000 0.217 1146 A C 2.171 179.744 177.584 -0.019 0.000 1.175 1146 A CA 1.331 53.358 52.037 -0.016 0.000 0.627 1146 A CB -0.697 18.305 19.000 0.004 0.000 0.815 1146 A HN 0.362 nan 8.150 nan 0.000 0.443 1147 L N -0.067 121.152 121.223 -0.007 0.000 2.017 1147 L HA -0.108 4.232 4.340 -0.000 0.000 0.208 1147 L C 2.356 179.174 176.870 -0.085 0.000 1.073 1147 L CA 1.849 56.680 54.840 -0.014 0.000 0.745 1147 L CB -0.508 41.557 42.059 0.011 0.000 0.894 1147 L HN 0.141 nan 8.230 nan 0.000 0.432 1148 V N -0.172 119.653 119.914 -0.149 0.000 2.453 1148 V HA -0.296 3.824 4.120 -0.000 0.000 0.252 1148 V C 2.702 178.596 176.094 -0.333 0.000 1.068 1148 V CA 1.832 63.914 62.300 -0.362 0.000 1.070 1148 V CB -0.977 30.553 31.823 -0.489 0.000 0.664 1148 V HN 0.791 nan 8.190 nan 0.000 0.461 1149 S N -0.299 115.302 115.700 -0.165 0.000 2.561 1149 S HA 0.189 4.659 4.470 -0.000 0.000 0.225 1149 S C 1.557 176.169 174.600 0.020 0.000 0.977 1149 S CA 0.958 59.123 58.200 -0.059 0.000 0.926 1149 S CB 0.389 63.567 63.200 -0.036 0.000 0.769 1149 S HN 1.273 nan 8.310 nan 0.000 0.533 1150 G N -0.244 108.526 108.800 -0.050 0.000 2.144 1150 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.218 1150 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.218 1150 G C -0.126 174.832 174.900 0.096 0.000 0.988 1150 G CA -0.121 44.983 45.100 0.008 0.000 0.659 1150 G HN 0.676 nan 8.290 nan 0.000 0.522 1151 V N 2.005 121.954 119.914 0.058 0.000 2.364 1151 V HA 0.541 4.661 4.120 -0.000 0.000 0.272 1151 V C 1.508 177.657 176.094 0.091 0.000 1.036 1151 V CA 0.714 63.067 62.300 0.088 0.000 0.880 1151 V CB 1.224 33.078 31.823 0.052 0.000 0.991 1151 V HN 0.638 nan 8.190 nan 0.000 0.460 1152 T N 0.032 114.660 114.554 0.124 0.000 3.022 1152 T HA 0.125 4.475 4.350 -0.000 0.000 0.250 1152 T C 0.661 175.451 174.700 0.150 0.000 1.060 1152 T CA 0.057 62.230 62.100 0.122 0.000 1.013 1152 T CB 0.270 69.208 68.868 0.117 0.000 0.982 1152 T HN 0.524 nan 8.240 nan 0.000 0.508 1153 T N 2.354 117.012 114.554 0.172 0.000 2.848 1153 T HA 0.668 5.018 4.350 -0.000 0.000 0.285 1153 T C -0.995 173.822 174.700 0.194 0.000 0.995 1153 T CA -0.568 61.663 62.100 0.219 0.000 0.970 1153 T CB 1.686 70.706 68.868 0.254 0.000 0.976 1153 T HN 0.205 nan 8.240 nan 0.000 0.441 1154 M N 3.293 123.040 119.600 0.245 0.000 2.197 1154 M HA 0.557 5.036 4.480 -0.000 0.000 0.301 1154 M C -1.156 175.311 176.300 0.278 0.000 0.987 1154 M CA -0.859 54.569 55.300 0.214 0.000 0.921 1154 M CB 2.142 34.899 32.600 0.262 0.000 1.569 1154 M HN 0.238 nan 8.290 nan 0.000 0.431 1155 V N 2.371 122.348 119.914 0.105 0.000 2.540 1155 V HA 1.014 5.134 4.120 -0.000 0.000 0.302 1155 V C 0.202 176.282 176.094 -0.024 0.000 1.035 1155 V CA -0.259 62.089 62.300 0.080 0.000 0.873 1155 V CB 1.762 33.521 31.823 -0.106 0.000 0.992 1155 V HN 1.072 nan 8.190 nan 0.000 0.428 1156 G N 2.702 111.545 108.800 0.072 0.000 2.335 1156 G HA2 0.662 4.622 3.960 -0.000 0.000 0.291 1156 G HA3 0.662 4.622 3.960 -0.000 0.000 0.291 1156 G C -0.663 174.315 174.900 0.130 0.000 1.261 1156 G CA 0.134 45.193 45.100 -0.068 0.000 0.871 1156 G HN 1.116 nan 8.290 nan 0.000 0.491 1157 G N -2.111 106.711 108.800 0.036 0.000 2.694 1157 G HA2 1.033 4.993 3.960 -0.000 0.000 0.290 1157 G HA3 1.033 4.993 3.960 -0.000 0.000 0.290 1157 G C -0.185 174.860 174.900 0.242 0.000 1.386 1157 G CA 0.226 45.472 45.100 0.244 0.000 0.872 1157 G HN 2.245 nan 8.290 nan 0.000 0.475 1158 G N -1.896 107.064 108.800 0.267 0.000 2.352 1158 G HA2 0.516 4.476 3.960 -0.000 0.000 0.302 1158 G HA3 0.516 4.476 3.960 -0.000 0.000 0.302 1158 G C 0.110 175.076 174.900 0.110 0.000 1.370 1158 G CA 0.948 46.162 45.100 0.190 0.000 0.918 1158 G HN 1.716 nan 8.290 nan 0.000 0.610 1159 T N -2.903 111.647 114.554 -0.007 0.000 3.087 1159 T HA 0.636 4.986 4.350 -0.000 0.000 0.283 1159 T C 1.311 175.998 174.700 -0.023 0.000 0.956 1159 T CA 1.286 63.317 62.100 -0.115 0.000 0.894 1159 T CB 0.473 68.991 68.868 -0.582 0.000 1.160 1159 T HN 2.747 nan 8.240 nan 0.000 0.532 1160 G N 2.505 111.325 108.800 0.032 0.000 2.318 1160 G HA2 0.115 4.075 3.960 -0.000 0.000 0.367 1160 G HA3 0.115 4.075 3.960 -0.000 0.000 0.367 1160 G C -2.882 171.991 174.900 -0.045 0.000 1.260 1160 G CA -0.414 44.712 45.100 0.044 0.000 1.055 1160 G HN 0.119 nan 8.290 nan 0.000 0.484 1161 P HA 0.490 nan 4.420 nan 0.000 0.226 1161 P C -0.001 177.050 177.300 -0.415 0.000 1.783 1161 P CA 1.068 64.068 63.100 -0.166 0.000 0.980 1161 P CB 0.058 31.832 31.700 0.122 0.000 1.967 1162 A N 1.117 123.615 122.820 -0.537 0.000 2.356 1162 A HA 0.662 4.982 4.320 -0.000 0.000 0.323 1162 A C 1.544 178.863 177.584 -0.443 0.000 1.119 1162 A CA -0.210 51.629 52.037 -0.330 0.000 0.790 1162 A CB 1.190 20.092 19.000 -0.163 0.000 1.273 1162 A HN 0.199 nan 8.150 nan 0.000 0.452 1163 A N 1.294 124.031 122.820 -0.138 0.000 1.903 1163 A HA -0.019 4.301 4.320 -0.000 0.000 0.219 1163 A C 2.190 179.738 177.584 -0.059 0.000 1.191 1163 A CA 2.760 54.789 52.037 -0.014 0.000 0.638 1163 A CB -1.358 17.642 19.000 -0.000 0.000 0.823 1163 A HN 1.639 nan 8.150 nan 0.000 0.451 1164 G N -1.560 107.227 108.800 -0.022 0.000 2.440 1164 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.218 1164 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.218 1164 G C 1.579 176.544 174.900 0.109 0.000 1.154 1164 G CA 1.703 46.854 45.100 0.085 0.000 0.767 1164 G HN 0.454 nan 8.290 nan 0.000 0.552 1165 T N -0.108 114.480 114.554 0.057 0.000 2.857 1165 T HA -0.007 4.343 4.350 -0.000 0.000 0.266 1165 T C 1.969 176.793 174.700 0.207 0.000 1.048 1165 T CA 1.146 63.316 62.100 0.117 0.000 1.139 1165 T CB -0.322 68.558 68.868 0.019 0.000 0.874 1165 T HN 0.543 nan 8.240 nan 0.000 0.455 1166 H N 0.648 119.760 119.070 0.069 0.000 2.352 1166 H HA -0.009 4.547 4.556 -0.000 0.000 0.299 1166 H C 2.418 177.703 175.328 -0.072 0.000 1.097 1166 H CA 1.086 57.127 56.048 -0.012 0.000 1.311 1166 H CB 0.032 29.768 29.762 -0.043 0.000 1.377 1166 H HN 0.371 nan 8.280 nan 0.000 0.504 1167 A N 0.310 123.163 122.820 0.056 0.000 1.943 1167 A HA 0.037 4.356 4.320 -0.000 0.000 0.213 1167 A C 1.280 178.851 177.584 -0.023 0.000 1.181 1167 A CA 1.113 53.102 52.037 -0.079 0.000 0.653 1167 A CB 0.139 18.973 19.000 -0.276 0.000 0.833 1167 A HN 0.420 nan 8.150 nan 0.000 0.451 1168 T N -3.088 111.539 114.554 0.122 0.000 2.903 1168 T HA 0.443 4.793 4.350 -0.000 0.000 0.299 1168 T C -0.197 174.570 174.700 0.112 0.000 1.093 1168 T CA 0.214 62.392 62.100 0.130 0.000 1.002 1168 T CB 1.291 70.119 68.868 -0.067 0.000 1.127 1168 T HN 0.367 nan 8.240 nan 0.000 0.488 1169 T N 0.253 114.752 114.554 -0.092 0.000 4.313 1169 T HA 0.458 4.808 4.350 -0.000 0.000 0.272 1169 T C 0.010 174.704 174.700 -0.009 0.000 1.298 1169 T CA -0.639 61.286 62.100 -0.292 0.000 1.124 1169 T CB -1.985 66.698 68.868 -0.307 0.000 1.352 1169 T HN 0.720 nan 8.240 nan 0.000 1.013 1170 C N 1.812 121.153 119.300 0.069 0.000 2.482 1170 C HA 0.608 5.068 4.460 -0.000 0.000 0.317 1170 C C 0.517 175.533 174.990 0.043 0.000 1.197 1170 C CA -0.840 58.213 59.018 0.058 0.000 1.432 1170 C CB 1.409 29.177 27.740 0.045 0.000 2.062 1170 C HN 0.673 nan 8.230 nan 0.000 0.471 1171 T N 4.787 119.360 114.554 0.032 0.000 3.042 1171 T HA 0.325 4.675 4.350 -0.000 0.000 0.356 1171 T C -2.679 172.032 174.700 0.018 0.000 1.233 1171 T CA -0.654 61.469 62.100 0.038 0.000 1.038 1171 T CB 0.297 69.216 68.868 0.085 0.000 1.089 1171 T HN 0.449 nan 8.240 nan 0.000 0.531 1172 P HA 0.449 nan 4.420 nan 0.000 0.276 1172 P C 0.467 177.831 177.300 0.107 0.000 1.253 1172 P CA 0.507 63.583 63.100 -0.040 0.000 0.766 1172 P CB 0.515 32.123 31.700 -0.153 0.000 0.845 1173 G N 5.219 114.053 108.800 0.056 0.000 2.712 1173 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.686 1173 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.686 1173 G C -2.292 172.680 174.900 0.120 0.000 1.321 1173 G CA -0.887 44.266 45.100 0.088 0.000 0.813 1173 G HN 0.227 nan 8.290 nan 0.000 0.599 1174 P HA -0.078 nan 4.420 nan 0.000 0.216 1174 P C 1.588 178.955 177.300 0.113 0.000 1.150 1174 P CA 1.982 65.131 63.100 0.082 0.000 0.837 1174 P CB 0.067 31.804 31.700 0.063 0.000 0.786 1175 W N -1.114 120.153 121.300 -0.056 0.000 2.407 1175 W HA -0.116 4.544 4.660 -0.000 0.000 0.305 1175 W C 2.175 178.622 176.519 -0.120 0.000 1.196 1175 W CA 1.251 58.525 57.345 -0.119 0.000 1.311 1175 W CB -0.998 28.342 29.460 -0.200 0.000 1.135 1175 W HN -0.106 nan 8.180 nan 0.000 0.514 1176 Y N 0.110 120.578 120.300 0.280 0.000 2.293 1176 Y HA -0.217 4.333 4.550 -0.000 0.000 0.291 1176 Y C 2.357 178.223 175.900 -0.057 0.000 1.137 1176 Y CA 1.605 59.761 58.100 0.094 0.000 1.202 1176 Y CB -0.382 38.181 38.460 0.172 0.000 0.990 1176 Y HN -0.104 nan 8.280 nan 0.000 0.537 1177 I N -1.062 119.582 120.570 0.123 0.000 2.179 1177 I HA -0.352 3.817 4.170 -0.000 0.000 0.242 1177 I C 2.351 178.435 176.117 -0.055 0.000 1.088 1177 I CA 1.361 62.683 61.300 0.036 0.000 1.357 1177 I CB -0.433 37.589 38.000 0.037 0.000 1.051 1177 I HN 0.078 nan 8.210 nan 0.000 0.409 1178 S N 0.534 116.170 115.700 -0.106 0.000 2.359 1178 S HA -0.164 4.306 4.470 -0.000 0.000 0.224 1178 S C 2.062 176.509 174.600 -0.255 0.000 1.035 1178 S CA 1.146 59.239 58.200 -0.180 0.000 1.018 1178 S CB -0.267 62.803 63.200 -0.217 0.000 0.876 1178 S HN 0.333 nan 8.310 nan 0.000 0.448 1179 R N 0.704 120.978 120.500 -0.376 0.000 2.096 1179 R HA 0.095 4.435 4.340 -0.000 0.000 0.235 1179 R C 2.143 178.310 176.300 -0.222 0.000 1.127 1179 R CA 0.930 56.799 56.100 -0.384 0.000 0.968 1179 R CB -0.647 29.316 30.300 -0.561 0.000 0.861 1179 R HN 0.426 nan 8.270 nan 0.000 0.440 1180 M N 0.453 119.958 119.600 -0.158 0.000 2.200 1180 M HA -0.037 4.443 4.480 -0.000 0.000 0.265 1180 M C 2.416 178.594 176.300 -0.203 0.000 1.066 1180 M CA 1.163 56.359 55.300 -0.174 0.000 1.127 1180 M CB -0.770 31.743 32.600 -0.144 0.000 1.379 1180 M HN 0.073 nan 8.290 nan 0.000 0.420 1181 L N -0.259 120.870 121.223 -0.156 0.000 2.083 1181 L HA -0.246 4.094 4.340 -0.000 0.000 0.209 1181 L C 2.583 179.361 176.870 -0.154 0.000 1.083 1181 L CA 1.303 56.059 54.840 -0.140 0.000 0.752 1181 L CB -0.583 41.415 42.059 -0.102 0.000 0.899 1181 L HN 0.392 nan 8.230 nan 0.000 0.433 1182 Q N -0.464 119.239 119.800 -0.162 0.000 2.079 1182 Q HA -0.157 4.183 4.340 -0.000 0.000 0.200 1182 Q C 2.460 178.375 176.000 -0.141 0.000 0.974 1182 Q CA 1.479 57.191 55.803 -0.151 0.000 0.840 1182 Q CB -0.236 28.407 28.738 -0.160 0.000 0.898 1182 Q HN 0.550 nan 8.270 nan 0.000 0.430 1183 A N 1.147 123.873 122.820 -0.158 0.000 1.933 1183 A HA -0.148 4.172 4.320 -0.000 0.000 0.218 1183 A C 2.296 179.779 177.584 -0.169 0.000 1.175 1183 A CA 1.540 53.487 52.037 -0.150 0.000 0.628 1183 A CB -0.780 18.119 19.000 -0.168 0.000 0.814 1183 A HN 0.406 nan 8.150 nan 0.000 0.444 1184 A N 0.041 122.732 122.820 -0.215 0.000 1.940 1184 A HA -0.229 4.091 4.320 -0.000 0.000 0.219 1184 A C 1.711 179.226 177.584 -0.115 0.000 1.176 1184 A CA 1.915 53.822 52.037 -0.218 0.000 0.631 1184 A CB -0.625 18.244 19.000 -0.218 0.000 0.814 1184 A HN 0.458 nan 8.150 nan 0.000 0.446 1185 D N -0.100 120.244 120.400 -0.094 0.000 2.221 1185 D HA -0.077 4.563 4.640 -0.000 0.000 0.204 1185 D C 1.913 178.279 176.300 0.109 0.000 0.982 1185 D CA 1.446 55.431 54.000 -0.025 0.000 0.857 1185 D CB -0.161 40.553 40.800 -0.143 0.000 0.934 1185 D HN 0.412 nan 8.370 nan 0.000 0.475 1186 S N -0.448 115.271 115.700 0.032 0.000 2.527 1186 S HA 0.078 4.548 4.470 -0.000 0.000 0.222 1186 S C 0.952 175.559 174.600 0.011 0.000 0.985 1186 S CA 0.034 58.255 58.200 0.035 0.000 0.921 1186 S CB 0.369 63.569 63.200 -0.001 0.000 0.772 1186 S HN 0.192 nan 8.310 nan 0.000 0.529 1187 L N 2.604 123.823 121.223 -0.006 0.000 2.309 1187 L HA 0.378 4.718 4.340 -0.000 0.000 0.282 1187 L C -2.207 174.679 176.870 0.027 0.000 1.036 1187 L CA -2.270 52.572 54.840 0.004 0.000 0.806 1187 L CB 0.875 42.922 42.059 -0.020 0.000 1.220 1187 L HN -0.187 nan 8.230 nan 0.000 0.429 1188 P HA 0.053 nan 4.420 nan 0.000 0.243 1188 P C -0.554 176.779 177.300 0.056 0.000 1.668 1188 P CA 0.148 63.271 63.100 0.039 0.000 0.898 1188 P CB -0.120 31.597 31.700 0.028 0.000 1.637 1189 V N -3.353 116.604 119.914 0.072 0.000 3.078 1189 V HA 0.557 4.677 4.120 -0.000 0.000 0.311 1189 V C -0.362 175.786 176.094 0.090 0.000 1.138 1189 V CA -1.340 61.020 62.300 0.101 0.000 1.007 1189 V CB 2.017 33.935 31.823 0.158 0.000 1.045 1189 V HN -0.134 nan 8.190 nan 0.000 0.432 1190 N N 1.806 120.567 118.700 0.103 0.000 2.525 1190 N HA 0.625 5.365 4.740 -0.000 0.000 0.271 1190 N C -0.783 174.838 175.510 0.186 0.000 1.194 1190 N CA 0.075 53.158 53.050 0.056 0.000 0.964 1190 N CB 1.604 40.146 38.487 0.092 0.000 1.126 1190 N HN 0.739 nan 8.380 nan 0.000 0.452 1191 I N -0.230 120.433 120.570 0.154 0.000 2.686 1191 I HA 0.446 4.616 4.170 -0.000 0.000 0.295 1191 I C 0.199 176.529 176.117 0.354 0.000 1.114 1191 I CA -0.873 60.596 61.300 0.280 0.000 1.038 1191 I CB 2.492 40.556 38.000 0.106 0.000 1.238 1191 I HN 0.428 nan 8.210 nan 0.000 0.420 1192 G N 5.677 114.714 108.800 0.396 0.000 2.542 1192 G HA2 0.753 4.713 3.960 -0.000 0.000 0.311 1192 G HA3 0.753 4.713 3.960 -0.000 0.000 0.311 1192 G C -1.280 173.775 174.900 0.258 0.000 1.298 1192 G CA -0.541 44.752 45.100 0.322 0.000 0.973 1192 G HN 0.386 nan 8.290 nan 0.000 0.487 1193 L N 1.211 122.548 121.223 0.190 0.000 2.322 1193 L HA 0.533 4.873 4.340 -0.000 0.000 0.279 1193 L C -0.223 176.724 176.870 0.130 0.000 1.036 1193 L CA -0.833 54.117 54.840 0.182 0.000 0.807 1193 L CB 1.824 43.951 42.059 0.114 0.000 1.226 1193 L HN 0.187 nan 8.230 nan 0.000 0.433 1194 L N 1.976 123.273 121.223 0.123 0.000 2.296 1194 L HA 0.548 4.888 4.340 -0.000 0.000 0.286 1194 L C 0.674 177.574 176.870 0.050 0.000 1.023 1194 L CA -0.396 54.486 54.840 0.071 0.000 0.812 1194 L CB 1.516 43.603 42.059 0.046 0.000 1.223 1194 L HN 0.687 nan 8.230 nan 0.000 0.421 1195 G N 1.895 110.707 108.800 0.020 0.000 2.557 1195 G HA2 0.233 4.193 3.960 -0.000 0.000 0.292 1195 G HA3 0.233 4.193 3.960 -0.000 0.000 0.292 1195 G C -0.768 174.095 174.900 -0.062 0.000 1.237 1195 G CA -0.565 44.527 45.100 -0.012 0.000 0.978 1195 G HN 0.537 nan 8.290 nan 0.000 0.498 1196 K N 0.022 120.339 120.400 -0.138 0.000 2.285 1196 K HA 0.307 4.627 4.320 -0.000 0.000 0.286 1196 K C 1.178 177.676 176.600 -0.171 0.000 1.072 1196 K CA -0.038 56.100 56.287 -0.248 0.000 0.913 1196 K CB 0.672 32.860 32.500 -0.521 0.000 1.067 1196 K HN 0.444 nan 8.250 nan 0.000 0.479 1197 G N 3.513 112.252 108.800 -0.100 0.000 2.712 1197 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.212 1197 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.212 1197 G C 0.061 174.933 174.900 -0.047 0.000 1.142 1197 G CA -0.175 44.889 45.100 -0.060 0.000 0.789 1197 G HN 0.629 nan 8.290 nan 0.000 0.535 1198 N N 0.306 118.978 118.700 -0.046 0.000 2.466 1198 N HA 0.428 5.168 4.740 -0.000 0.000 0.263 1198 N C -0.961 174.540 175.510 -0.015 0.000 1.178 1198 N CA 0.166 53.221 53.050 0.009 0.000 0.983 1198 N CB 1.667 40.224 38.487 0.117 0.000 1.331 1198 N HN 0.040 nan 8.380 nan 0.000 0.500 1199 V N 0.668 120.576 119.914 -0.011 0.000 3.177 1199 V HA 0.266 4.386 4.120 -0.000 0.000 0.287 1199 V C -0.255 175.835 176.094 -0.006 0.000 1.465 1199 V CA -0.557 61.735 62.300 -0.012 0.000 1.020 1199 V CB 2.233 34.036 31.823 -0.033 0.000 1.152 1199 V HN 0.459 nan 8.190 nan 0.000 0.448 1200 S N 2.069 117.768 115.700 -0.002 0.000 2.539 1200 S HA 0.159 4.629 4.470 -0.000 0.000 0.221 1200 S C 0.185 174.782 174.600 -0.005 0.000 0.987 1200 S CA 0.120 58.320 58.200 -0.001 0.000 0.929 1200 S CB 0.097 63.300 63.200 0.005 0.000 0.832 1200 S HN 0.709 nan 8.310 nan 0.000 0.492 1201 Q N 2.853 122.648 119.800 -0.008 0.000 2.465 1201 Q HA 0.300 4.640 4.340 -0.000 0.000 0.237 1201 Q C -1.925 174.067 176.000 -0.013 0.000 1.051 1201 Q CA -2.309 53.488 55.803 -0.009 0.000 0.874 1201 Q CB 1.099 29.831 28.738 -0.010 0.000 1.207 1201 Q HN -0.009 nan 8.270 nan 0.000 0.508 1202 P HA -0.172 nan 4.420 nan 0.000 0.222 1202 P C -0.082 177.210 177.300 -0.013 0.000 1.142 1202 P CA 1.000 64.092 63.100 -0.013 0.000 0.788 1202 P CB 0.519 32.213 31.700 -0.011 0.000 0.767 1203 D N 0.131 120.524 120.400 -0.012 0.000 2.178 1203 D HA -0.051 4.589 4.640 -0.000 0.000 0.202 1203 D C 2.095 178.388 176.300 -0.013 0.000 0.974 1203 D CA 1.306 55.300 54.000 -0.011 0.000 0.841 1203 D CB -0.564 40.230 40.800 -0.009 0.000 0.953 1203 D HN 0.133 nan 8.370 nan 0.000 0.478 1204 A N 0.101 122.910 122.820 -0.017 0.000 2.067 1204 A HA -0.050 4.270 4.320 -0.000 0.000 0.219 1204 A C 2.228 179.796 177.584 -0.027 0.000 1.158 1204 A CA 0.678 52.701 52.037 -0.023 0.000 0.661 1204 A CB -0.362 18.620 19.000 -0.030 0.000 0.801 1204 A HN 0.214 nan 8.150 nan 0.000 0.452 1205 L N -1.700 119.508 121.223 -0.025 0.000 2.168 1205 L HA -0.007 4.333 4.340 -0.000 0.000 0.203 1205 L C 2.710 179.571 176.870 -0.015 0.000 1.078 1205 L CA 0.598 55.422 54.840 -0.026 0.000 0.780 1205 L CB -0.477 41.567 42.059 -0.026 0.000 0.939 1205 L HN 0.276 nan 8.230 nan 0.000 0.451 1206 R N 0.485 120.978 120.500 -0.012 0.000 2.091 1206 R HA -0.187 4.153 4.340 -0.000 0.000 0.238 1206 R C 2.113 178.411 176.300 -0.004 0.000 1.136 1206 R CA 1.445 57.541 56.100 -0.007 0.000 0.959 1206 R CB -0.313 29.984 30.300 -0.006 0.000 0.856 1206 R HN 0.404 nan 8.270 nan 0.000 0.437 1207 E N 0.667 120.864 120.200 -0.004 0.000 2.085 1207 E HA -0.250 4.100 4.350 -0.000 0.000 0.194 1207 E C 2.148 178.751 176.600 0.004 0.000 0.994 1207 E CA 1.349 57.749 56.400 0.000 0.000 0.801 1207 E CB 0.047 29.747 29.700 -0.001 0.000 0.743 1207 E HN 0.430 nan 8.360 nan 0.000 0.453 1208 Q N -0.105 119.695 119.800 0.000 0.000 2.083 1208 Q HA -0.113 4.227 4.340 -0.000 0.000 0.198 1208 Q C 2.393 178.399 176.000 0.009 0.000 0.969 1208 Q CA 1.182 56.988 55.803 0.005 0.000 0.838 1208 Q CB 0.100 28.833 28.738 -0.008 0.000 0.900 1208 Q HN 0.162 nan 8.270 nan 0.000 0.436 1209 V N 1.207 121.125 119.914 0.006 0.000 2.287 1209 V HA -0.294 3.826 4.120 -0.000 0.000 0.248 1209 V C 2.289 178.391 176.094 0.014 0.000 1.053 1209 V CA 1.941 64.249 62.300 0.012 0.000 1.027 1209 V CB -1.028 30.799 31.823 0.008 0.000 0.646 1209 V HN 0.391 nan 8.190 nan 0.000 0.447 1210 A N -0.144 122.682 122.820 0.009 0.000 2.019 1210 A HA -0.020 4.300 4.320 -0.000 0.000 0.219 1210 A C 2.354 179.942 177.584 0.008 0.000 1.164 1210 A CA 1.768 53.810 52.037 0.008 0.000 0.644 1210 A CB -0.608 18.395 19.000 0.005 0.000 0.805 1210 A HN 0.586 nan 8.150 nan 0.000 0.449 1211 A N -1.942 120.883 122.820 0.009 0.000 2.015 1211 A HA 0.346 4.666 4.320 -0.000 0.000 0.219 1211 A C 1.852 179.439 177.584 0.005 0.000 1.163 1211 A CA 1.866 53.907 52.037 0.007 0.000 0.646 1211 A CB -0.495 18.513 19.000 0.013 0.000 0.806 1211 A HN 1.646 nan 8.150 nan 0.000 0.448 1212 G N -2.059 106.750 108.800 0.016 0.000 2.613 1212 G HA2 0.038 3.998 3.960 -0.000 0.000 0.199 1212 G HA3 0.038 3.998 3.960 -0.000 0.000 0.199 1212 G C 0.319 175.246 174.900 0.045 0.000 0.991 1212 G CA 0.096 45.211 45.100 0.025 0.000 0.756 1212 G HN 1.446 nan 8.290 nan 0.000 0.515 1213 V N 1.103 121.043 119.914 0.042 0.000 2.740 1213 V HA 0.562 4.681 4.120 -0.000 0.000 0.303 1213 V C 1.661 177.795 176.094 0.067 0.000 1.054 1213 V CA 0.329 62.664 62.300 0.057 0.000 1.106 1213 V CB 1.017 32.868 31.823 0.047 0.000 0.957 1213 V HN 0.840 nan 8.190 nan 0.000 0.486 1214 I N 0.878 121.501 120.570 0.090 0.000 3.883 1214 I HA 0.745 4.915 4.170 -0.000 0.000 0.326 1214 I C 0.733 176.911 176.117 0.101 0.000 1.283 1214 I CA 0.453 61.811 61.300 0.097 0.000 1.161 1214 I CB -0.177 37.892 38.000 0.115 0.000 1.012 1214 I HN 0.878 nan 8.210 nan 0.000 0.421 1215 G N 0.788 109.641 108.800 0.090 0.000 2.608 1215 G HA2 0.665 4.625 3.960 -0.000 0.000 0.291 1215 G HA3 0.665 4.625 3.960 -0.000 0.000 0.291 1215 G C -1.597 173.325 174.900 0.037 0.000 1.425 1215 G CA -0.708 44.443 45.100 0.085 0.000 0.787 1215 G HN 0.082 nan 8.290 nan 0.000 0.484 1219 H N 6.015 125.164 119.070 0.132 0.000 2.600 1219 H HA 0.276 4.832 4.556 -0.000 0.000 0.357 1219 H C 0.728 176.077 175.328 0.036 0.000 1.106 1219 H CA -0.204 55.893 56.048 0.082 0.000 1.193 1219 H CB 2.518 32.349 29.762 0.116 0.000 1.594 1219 H HN 0.796 nan 8.280 nan 0.000 0.526 1220 E N 2.464 122.620 120.200 -0.074 0.000 2.209 1220 E HA -0.185 4.165 4.350 -0.000 0.000 0.196 1220 E C -0.001 176.656 176.600 0.095 0.000 0.993 1220 E CA 1.445 57.871 56.400 0.044 0.000 0.819 1220 E CB 0.180 29.892 29.700 0.019 0.000 0.745 1220 E HN 0.463 nan 8.360 nan 0.000 0.477 1221 D N 0.176 120.699 120.400 0.205 0.000 2.310 1221 D HA -0.123 4.517 4.640 -0.000 0.000 0.212 1221 D C 0.467 176.593 176.300 -0.290 0.000 0.965 1221 D CA 0.879 54.776 54.000 -0.172 0.000 0.879 1221 D CB -0.242 40.267 40.800 -0.485 0.000 0.921 1221 D HN 0.515 nan 8.370 nan 0.000 0.510 1222 W N 0.433 121.765 121.300 0.053 0.000 3.127 1222 W HA 0.404 5.064 4.660 -0.000 0.000 0.344 1222 W C 0.655 177.188 176.519 0.024 0.000 1.151 1222 W CA -0.149 57.209 57.345 0.022 0.000 1.765 1222 W CB 0.694 30.164 29.460 0.016 0.000 1.085 1222 W HN -0.083 nan 8.180 nan 0.000 0.596 1223 G N 1.474 110.386 108.800 0.187 0.000 2.897 1223 G HA2 0.064 4.024 3.960 -0.000 0.000 0.436 1223 G HA3 0.064 4.024 3.960 -0.000 0.000 0.436 1223 G C -0.203 174.760 174.900 0.106 0.000 1.079 1223 G CA -0.578 44.590 45.100 0.115 0.000 1.090 1223 G HN 0.452 nan 8.290 nan 0.000 0.480 1224 A N 2.559 125.426 122.820 0.078 0.000 3.091 1224 A HA 0.686 5.006 4.320 -0.000 0.000 0.264 1224 A C 1.243 178.856 177.584 0.048 0.000 1.673 1224 A CA 0.848 52.923 52.037 0.064 0.000 1.362 1224 A CB -0.464 18.567 19.000 0.052 0.000 1.137 1224 A HN 2.080 nan 8.150 nan 0.000 0.617 1225 T N -2.249 112.334 114.554 0.048 0.000 2.899 1225 T HA 0.447 4.797 4.350 -0.000 0.000 0.284 1225 T C -1.782 172.940 174.700 0.036 0.000 1.004 1225 T CA -1.687 60.436 62.100 0.039 0.000 1.043 1225 T CB 1.123 70.010 68.868 0.032 0.000 1.013 1225 T HN 0.088 nan 8.240 nan 0.000 0.518 1226 P HA -0.097 nan 4.420 nan 0.000 0.216 1226 P C 1.638 178.946 177.300 0.014 0.000 1.153 1226 P CA 1.666 64.779 63.100 0.022 0.000 0.858 1226 P CB -0.267 31.443 31.700 0.016 0.000 0.789 1227 A N -0.231 122.597 122.820 0.013 0.000 1.873 1227 A HA -0.079 4.241 4.320 -0.000 0.000 0.215 1227 A C 2.332 179.922 177.584 0.009 0.000 1.186 1227 A CA 2.073 54.115 52.037 0.009 0.000 0.616 1227 A CB -1.592 17.413 19.000 0.009 0.000 0.823 1227 A HN 0.188 nan 8.150 nan 0.000 0.442 1228 A N -0.070 122.761 122.820 0.017 0.000 1.877 1228 A HA -0.089 4.231 4.320 -0.000 0.000 0.216 1228 A C 2.137 179.727 177.584 0.009 0.000 1.186 1228 A CA 1.558 53.606 52.037 0.018 0.000 0.620 1228 A CB -0.634 18.387 19.000 0.036 0.000 0.822 1228 A HN 0.486 nan 8.150 nan 0.000 0.443 1229 I N -0.273 120.304 120.570 0.012 0.000 2.226 1229 I HA -0.263 3.907 4.170 -0.000 0.000 0.245 1229 I C 2.313 178.426 176.117 -0.008 0.000 1.100 1229 I CA 1.959 63.260 61.300 0.001 0.000 1.374 1229 I CB -0.370 37.634 38.000 0.007 0.000 1.057 1229 I HN 0.459 nan 8.210 nan 0.000 0.413 1230 D N 0.028 120.425 120.400 -0.005 0.000 2.117 1230 D HA -0.240 4.399 4.640 -0.000 0.000 0.197 1230 D C 2.309 178.602 176.300 -0.011 0.000 0.987 1230 D CA 1.286 55.281 54.000 -0.009 0.000 0.829 1230 D CB -0.140 40.656 40.800 -0.006 0.000 0.961 1230 D HN 0.394 nan 8.370 nan 0.000 0.460 1231 C N -0.088 119.207 119.300 -0.008 0.000 2.429 1231 C HA 0.118 4.578 4.460 -0.000 0.000 0.277 1231 C C 2.869 177.850 174.990 -0.015 0.000 1.262 1231 C CA 1.402 60.413 59.018 -0.011 0.000 1.733 1231 C CB -1.461 26.274 27.740 -0.009 0.000 2.010 1231 C HN 0.448 nan 8.230 nan 0.000 0.483 1232 A N 0.207 123.016 122.820 -0.017 0.000 1.898 1232 A HA -0.002 4.318 4.320 -0.000 0.000 0.216 1232 A C 1.916 179.484 177.584 -0.026 0.000 1.181 1232 A CA 1.506 53.529 52.037 -0.024 0.000 0.620 1232 A CB -0.568 18.415 19.000 -0.028 0.000 0.819 1232 A HN 0.516 nan 8.150 nan 0.000 0.442 1233 L N -0.123 121.084 121.223 -0.027 0.000 2.083 1233 L HA -0.113 4.227 4.340 -0.000 0.000 0.209 1233 L C 2.607 179.462 176.870 -0.025 0.000 1.083 1233 L CA 2.205 57.028 54.840 -0.030 0.000 0.752 1233 L CB -1.665 40.374 42.059 -0.032 0.000 0.899 1233 L HN 0.315 nan 8.230 nan 0.000 0.433 1234 T N -0.908 113.634 114.554 -0.020 0.000 2.746 1234 T HA -0.122 4.228 4.350 -0.000 0.000 0.267 1234 T C 2.087 176.777 174.700 -0.017 0.000 1.039 1234 T CA 1.366 63.456 62.100 -0.017 0.000 1.142 1234 T CB -0.172 68.688 68.868 -0.014 0.000 0.866 1234 T HN 0.090 nan 8.240 nan 0.000 0.444 1235 V N 1.621 121.525 119.914 -0.017 0.000 2.358 1235 V HA -0.123 3.997 4.120 -0.000 0.000 0.246 1235 V C 2.871 178.955 176.094 -0.016 0.000 1.047 1235 V CA 1.580 63.870 62.300 -0.015 0.000 1.035 1235 V CB -1.186 30.628 31.823 -0.015 0.000 0.658 1235 V HN 0.508 nan 8.190 nan 0.000 0.452 1236 A N 0.006 122.814 122.820 -0.020 0.000 1.908 1236 A HA -0.281 4.039 4.320 -0.000 0.000 0.218 1236 A C 1.986 179.556 177.584 -0.023 0.000 1.181 1236 A CA 2.196 54.219 52.037 -0.023 0.000 0.627 1236 A CB -0.674 18.306 19.000 -0.032 0.000 0.818 1236 A HN 0.530 nan 8.150 nan 0.000 0.445 1237 D N -0.877 119.509 120.400 -0.024 0.000 2.144 1237 D HA -0.129 4.511 4.640 -0.000 0.000 0.199 1237 D C 1.902 178.191 176.300 -0.019 0.000 0.984 1237 D CA 1.367 55.354 54.000 -0.023 0.000 0.834 1237 D CB -0.259 40.528 40.800 -0.022 0.000 0.955 1237 D HN 0.743 nan 8.370 nan 0.000 0.465 1238 E N -0.210 119.981 120.200 -0.016 0.000 2.047 1238 E HA -0.070 4.280 4.350 -0.000 0.000 0.191 1238 E C 1.488 178.082 176.600 -0.011 0.000 0.987 1238 E CA 0.712 57.104 56.400 -0.013 0.000 0.799 1238 E CB 0.110 29.804 29.700 -0.011 0.000 0.752 1238 E HN 0.207 nan 8.360 nan 0.000 0.449 1239 M N 0.395 119.989 119.600 -0.010 0.000 2.383 1239 M HA 0.090 4.570 4.480 -0.000 0.000 0.247 1239 M C -0.159 176.138 176.300 -0.006 0.000 1.117 1239 M CA -0.051 55.246 55.300 -0.006 0.000 0.995 1239 M CB 0.564 33.163 32.600 -0.002 0.000 1.480 1239 M HN -0.104 nan 8.290 nan 0.000 0.485 1240 D N 3.088 123.480 120.400 -0.013 0.000 2.737 1240 D HA -0.159 4.481 4.640 -0.000 0.000 0.238 1240 D C -1.166 175.129 176.300 -0.009 0.000 1.157 1240 D CA 0.654 54.644 54.000 -0.016 0.000 0.694 1240 D CB -0.714 40.075 40.800 -0.017 0.000 1.021 1240 D HN 0.514 nan 8.370 nan 0.000 0.420 1241 I N -2.133 118.430 120.570 -0.011 0.000 3.042 1241 I HA 0.707 4.876 4.170 -0.000 0.000 0.310 1241 I C -0.172 175.933 176.117 -0.019 0.000 1.117 1241 I CA -1.190 60.112 61.300 0.003 0.000 1.003 1241 I CB 1.546 39.558 38.000 0.020 0.000 1.228 1241 I HN -0.093 nan 8.210 nan 0.000 0.443 1242 Q N 1.611 121.403 119.800 -0.013 0.000 2.205 1242 Q HA 0.772 5.112 4.340 -0.000 0.000 0.249 1242 Q C -1.504 174.470 176.000 -0.042 0.000 0.948 1242 Q CA -0.632 55.127 55.803 -0.073 0.000 0.895 1242 Q CB 1.931 30.534 28.738 -0.224 0.000 1.249 1242 Q HN 0.651 nan 8.270 nan 0.000 0.458 1243 V N 2.002 121.867 119.914 -0.082 0.000 2.495 1243 V HA 0.859 4.979 4.120 -0.000 0.000 0.298 1243 V C -0.685 175.306 176.094 -0.172 0.000 1.031 1243 V CA -0.635 61.605 62.300 -0.099 0.000 0.871 1243 V CB 1.292 33.062 31.823 -0.087 0.000 0.988 1243 V HN 0.854 nan 8.190 nan 0.000 0.432 1244 A N 4.899 127.537 122.820 -0.304 0.000 2.330 1244 A HA 0.905 5.225 4.320 -0.000 0.000 0.327 1244 A C -1.206 176.012 177.584 -0.609 0.000 1.155 1244 A CA -0.533 51.075 52.037 -0.716 0.000 0.803 1244 A CB 1.366 19.573 19.000 -1.322 0.000 1.208 1244 A HN 0.798 nan 8.150 nan 0.000 0.477 1245 L N 1.958 122.822 121.223 -0.598 0.000 2.356 1245 L HA 0.537 4.877 4.340 -0.000 0.000 0.277 1245 L C -0.562 176.195 176.870 -0.188 0.000 0.996 1245 L CA -0.156 54.507 54.840 -0.295 0.000 0.822 1245 L CB 1.510 43.469 42.059 -0.165 0.000 1.256 1245 L HN 0.807 nan 8.230 nan 0.000 0.413 1246 H N 3.311 122.284 119.070 -0.162 0.000 2.792 1246 H HA 0.576 5.132 4.556 -0.000 0.000 0.298 1246 H C -0.343 174.928 175.328 -0.095 0.000 1.042 1246 H CA -0.375 55.638 56.048 -0.058 0.000 1.300 1246 H CB 0.939 30.611 29.762 -0.150 0.000 1.431 1246 H HN 0.815 nan 8.280 nan 0.000 0.496 1247 S N 2.708 118.477 115.700 0.114 0.000 2.634 1247 S HA -0.027 4.443 4.470 -0.000 0.000 0.261 1247 S C 0.418 174.981 174.600 -0.061 0.000 1.271 1247 S CA -0.879 57.339 58.200 0.030 0.000 0.985 1247 S CB 1.112 64.342 63.200 0.050 0.000 0.968 1247 S HN 0.763 nan 8.310 nan 0.000 0.568 1248 D N 0.643 120.858 120.400 -0.309 0.000 2.441 1248 D HA 0.165 4.805 4.640 -0.000 0.000 0.243 1248 D C 1.063 177.110 176.300 -0.421 0.000 1.257 1248 D CA 0.089 53.898 54.000 -0.319 0.000 1.027 1248 D CB -0.363 40.265 40.800 -0.287 0.000 1.084 1248 D HN 0.555 nan 8.370 nan 0.000 0.514 1249 T N 3.256 117.739 114.554 -0.118 0.000 2.737 1249 T HA -0.162 4.188 4.350 -0.000 0.000 0.269 1249 T C 1.919 176.663 174.700 0.074 0.000 1.040 1249 T CA 0.819 62.913 62.100 -0.010 0.000 1.142 1249 T CB -0.026 68.927 68.868 0.141 0.000 0.861 1249 T HN 0.439 nan 8.240 nan 0.000 0.456 1250 L N 0.893 122.173 121.223 0.094 0.000 2.549 1250 L HA 0.030 4.370 4.340 -0.000 0.000 0.229 1250 L C 0.663 177.594 176.870 0.101 0.000 1.158 1250 L CA 0.190 55.105 54.840 0.125 0.000 0.842 1250 L CB -0.718 41.384 42.059 0.072 0.000 0.952 1250 L HN 0.290 nan 8.230 nan 0.000 0.452 1251 N N 0.246 118.995 118.700 0.082 0.000 2.725 1251 N HA -0.272 4.468 4.740 -0.000 0.000 0.249 1251 N C 1.158 176.653 175.510 -0.026 0.000 1.103 1251 N CA 1.262 54.394 53.050 0.136 0.000 0.707 1251 N CB -0.983 37.689 38.487 0.308 0.000 1.043 1251 N HN 0.588 nan 8.380 nan 0.000 0.553 1252 E N 0.644 120.837 120.200 -0.012 0.000 2.051 1252 E HA -0.158 4.192 4.350 -0.000 0.000 0.192 1252 E C 1.589 178.156 176.600 -0.054 0.000 0.991 1252 E CA 1.832 58.214 56.400 -0.031 0.000 0.799 1252 E CB 0.070 29.763 29.700 -0.012 0.000 0.748 1252 E HN 0.512 nan 8.360 nan 0.000 0.449 1253 S N -1.066 114.615 115.700 -0.031 0.000 2.548 1253 S HA 0.351 4.821 4.470 -0.000 0.000 0.215 1253 S C 0.577 175.147 174.600 -0.050 0.000 0.976 1253 S CA 0.212 58.397 58.200 -0.026 0.000 0.908 1253 S CB 1.036 64.243 63.200 0.011 0.000 0.781 1253 S HN 0.459 nan 8.310 nan 0.000 0.519 1254 G N -0.218 108.524 108.800 -0.096 0.000 2.341 1254 G HA2 0.363 4.323 3.960 -0.000 0.000 0.293 1254 G HA3 0.363 4.323 3.960 -0.000 0.000 0.293 1254 G C -1.199 173.611 174.900 -0.151 0.000 1.298 1254 G CA -1.111 43.874 45.100 -0.192 0.000 0.868 1254 G HN 0.201 nan 8.290 nan 0.000 0.540 1255 F N -1.115 118.825 119.950 -0.016 0.000 2.461 1255 F HA 0.518 5.045 4.527 -0.000 0.000 0.337 1255 F C 1.819 177.245 175.800 -0.623 0.000 1.079 1255 F CA -0.150 57.764 58.000 -0.143 0.000 1.032 1255 F CB 1.678 40.637 39.000 -0.068 0.000 1.327 1255 F HN 0.334 nan 8.300 nan 0.000 0.491 1256 V N 1.546 121.131 119.914 -0.548 0.000 2.453 1256 V HA -0.240 3.880 4.120 -0.000 0.000 0.252 1256 V C 2.154 178.063 176.094 -0.309 0.000 1.068 1256 V CA 2.443 64.310 62.300 -0.720 0.000 1.070 1256 V CB -0.612 31.060 31.823 -0.253 0.000 0.664 1256 V HN 0.827 nan 8.190 nan 0.000 0.461 1257 E N -0.813 119.311 120.200 -0.126 0.000 2.150 1257 E HA -0.248 4.102 4.350 -0.000 0.000 0.193 1257 E C 1.704 178.275 176.600 -0.050 0.000 0.985 1257 E CA 1.709 58.076 56.400 -0.055 0.000 0.814 1257 E CB -0.739 28.966 29.700 0.007 0.000 0.752 1257 E HN 0.697 nan 8.360 nan 0.000 0.466 1258 D N 0.944 121.318 120.400 -0.044 0.000 2.117 1258 D HA -0.071 4.569 4.640 -0.000 0.000 0.198 1258 D C 1.725 178.008 176.300 -0.028 0.000 0.982 1258 D CA 1.666 55.652 54.000 -0.024 0.000 0.828 1258 D CB -0.074 40.719 40.800 -0.012 0.000 0.967 1258 D HN 0.207 nan 8.370 nan 0.000 0.464 1259 T N 1.579 116.105 114.554 -0.045 0.000 2.746 1259 T HA -0.077 4.273 4.350 -0.000 0.000 0.267 1259 T C 2.273 176.948 174.700 -0.042 0.000 1.039 1259 T CA 0.499 62.612 62.100 0.021 0.000 1.142 1259 T CB -0.186 68.769 68.868 0.145 0.000 0.866 1259 T HN 0.083 nan 8.240 nan 0.000 0.444 1260 L N 0.667 121.831 121.223 -0.097 0.000 2.046 1260 L HA -0.088 4.252 4.340 -0.000 0.000 0.208 1260 L C 2.960 179.772 176.870 -0.097 0.000 1.077 1260 L CA 1.252 56.003 54.840 -0.149 0.000 0.747 1260 L CB -0.569 41.354 42.059 -0.227 0.000 0.896 1260 L HN 0.228 nan 8.230 nan 0.000 0.432 1261 A N -0.192 122.594 122.820 -0.056 0.000 1.898 1261 A HA -0.119 4.201 4.320 -0.000 0.000 0.216 1261 A C 2.524 180.092 177.584 -0.026 0.000 1.181 1261 A CA 1.533 53.552 52.037 -0.030 0.000 0.620 1261 A CB -0.690 18.302 19.000 -0.013 0.000 0.819 1261 A HN 0.384 nan 8.150 nan 0.000 0.442 1262 A N -0.035 122.772 122.820 -0.022 0.000 1.933 1262 A HA -0.086 4.234 4.320 -0.000 0.000 0.218 1262 A C 2.048 179.618 177.584 -0.024 0.000 1.175 1262 A CA 1.524 53.552 52.037 -0.015 0.000 0.628 1262 A CB -0.618 18.381 19.000 -0.002 0.000 0.814 1262 A HN 0.491 nan 8.150 nan 0.000 0.444 1263 I N -0.378 120.169 120.570 -0.039 0.000 2.361 1263 I HA -0.085 4.085 4.170 -0.000 0.000 0.251 1263 I C 1.694 177.786 176.117 -0.042 0.000 1.133 1263 I CA 0.929 62.200 61.300 -0.048 0.000 1.413 1263 I CB -0.533 37.423 38.000 -0.073 0.000 1.073 1263 I HN 0.468 nan 8.210 nan 0.000 0.424 1264 G N 1.065 109.840 108.800 -0.041 0.000 2.371 1264 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.299 1264 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.299 1264 G C 1.018 175.905 174.900 -0.023 0.000 1.014 1264 G CA 0.394 45.478 45.100 -0.027 0.000 1.097 1264 G HN 0.929 nan 8.290 nan 0.000 0.512 1265 G N -1.488 107.295 108.800 -0.028 0.000 2.189 1265 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.267 1265 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.267 1265 G C 0.662 175.550 174.900 -0.019 0.000 0.975 1265 G CA 1.133 46.226 45.100 -0.011 0.000 0.644 1265 G HN 1.099 nan 8.290 nan 0.000 0.537 1266 R N 0.587 121.069 120.500 -0.030 0.000 2.582 1266 R HA 0.467 4.807 4.340 -0.000 0.000 0.271 1266 R C 0.423 176.698 176.300 -0.043 0.000 1.078 1266 R CA 0.102 56.181 56.100 -0.034 0.000 1.127 1266 R CB 0.356 30.636 30.300 -0.034 0.000 1.038 1266 R HN 0.156 nan 8.270 nan 0.000 0.500 1267 T N 2.772 117.299 114.554 -0.046 0.000 2.902 1267 T HA 0.261 4.611 4.350 -0.000 0.000 0.301 1267 T C 0.210 174.869 174.700 -0.067 0.000 1.012 1267 T CA 0.261 62.327 62.100 -0.057 0.000 1.151 1267 T CB 0.126 68.956 68.868 -0.063 0.000 0.946 1267 T HN 0.405 nan 8.240 nan 0.000 0.542 1268 I N 1.393 121.921 120.570 -0.069 0.000 2.908 1268 I HA 0.283 4.453 4.170 -0.000 0.000 0.300 1268 I C -1.095 175.000 176.117 -0.037 0.000 1.385 1268 I CA -0.918 60.339 61.300 -0.072 0.000 1.004 1268 I CB 2.314 40.268 38.000 -0.078 0.000 1.309 1268 I HN 0.757 nan 8.210 nan 0.000 0.449 1269 H N 4.690 123.645 119.070 -0.191 0.000 2.541 1269 H HA 0.459 5.015 4.556 -0.000 0.000 0.316 1269 H C -1.010 174.193 175.328 -0.208 0.000 1.043 1269 H CA -0.583 55.362 56.048 -0.172 0.000 1.232 1269 H CB 1.128 30.788 29.762 -0.171 0.000 1.406 1269 H HN 0.595 nan 8.280 nan 0.000 0.469 1270 T N 3.574 118.176 114.554 0.080 0.000 2.733 1270 T HA 0.218 4.568 4.350 -0.000 0.000 0.294 1270 T C -0.086 174.598 174.700 -0.026 0.000 0.956 1270 T CA -0.770 61.281 62.100 -0.082 0.000 0.987 1270 T CB 0.238 69.064 68.868 -0.070 0.000 0.920 1270 T HN 0.192 nan 8.240 nan 0.000 0.470 1271 F N 3.557 123.267 119.950 -0.401 0.000 2.406 1271 F HA 0.250 4.777 4.527 -0.000 0.000 0.327 1271 F C 1.581 177.068 175.800 -0.521 0.000 1.153 1271 F CA -0.917 56.787 58.000 -0.494 0.000 1.218 1271 F CB -0.087 38.502 39.000 -0.684 0.000 1.215 1271 F HN 0.971 nan 8.300 nan 0.000 0.570 1272 H N -1.311 117.901 119.070 0.236 0.000 2.315 1272 H HA -0.208 4.348 4.556 -0.000 0.000 0.324 1272 H C 0.734 176.118 175.328 0.093 0.000 0.996 1272 H CA 0.485 56.616 56.048 0.138 0.000 1.090 1272 H CB -2.510 27.303 29.762 0.085 0.000 1.580 1272 H HN 0.498 nan 8.280 nan 0.000 0.374 1273 T N -0.996 113.626 114.554 0.113 0.000 2.897 1273 T HA -0.241 4.109 4.350 -0.000 0.000 0.271 1273 T C 1.784 176.616 174.700 0.220 0.000 1.084 1273 T CA 1.343 63.441 62.100 -0.004 0.000 1.123 1273 T CB 0.016 68.588 68.868 -0.492 0.000 0.865 1273 T HN 0.688 nan 8.240 nan 0.000 0.496 1274 E N 1.032 121.469 120.200 0.395 0.000 2.204 1274 E HA -0.077 4.273 4.350 -0.000 0.000 0.194 1274 E C 1.881 178.541 176.600 0.100 0.000 0.989 1274 E CA 1.134 57.697 56.400 0.270 0.000 0.824 1274 E CB -0.401 29.413 29.700 0.189 0.000 0.756 1274 E HN 0.595 nan 8.360 nan 0.000 0.477 1275 G N -0.071 108.783 108.800 0.089 0.000 2.232 1275 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.226 1275 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.226 1275 G C 1.340 176.172 174.900 -0.113 0.000 0.996 1275 G CA 0.699 45.786 45.100 -0.021 0.000 0.626 1275 G HN 0.593 nan 8.290 nan 0.000 0.509 1276 A N 0.699 123.468 122.820 -0.086 0.000 1.940 1276 A HA 0.313 4.633 4.320 -0.000 0.000 0.219 1276 A C 2.667 180.177 177.584 -0.124 0.000 1.176 1276 A CA 2.396 54.378 52.037 -0.091 0.000 0.631 1276 A CB -0.917 18.049 19.000 -0.058 0.000 0.814 1276 A HN 1.653 nan 8.150 nan 0.000 0.446 1277 G N -1.508 107.164 108.800 -0.213 0.000 2.679 1277 G HA2 0.420 4.380 3.960 -0.000 0.000 0.212 1277 G HA3 0.420 4.380 3.960 -0.000 0.000 0.212 1277 G C 0.714 174.975 174.900 -1.066 0.000 1.137 1277 G CA 0.823 45.631 45.100 -0.487 0.000 0.787 1277 G HN 1.656 nan 8.290 nan 0.000 0.534 1278 G N -2.390 105.891 108.800 -0.865 0.000 2.379 1278 G HA2 0.574 4.534 3.960 -0.000 0.000 0.609 1278 G HA3 0.574 4.534 3.960 -0.000 0.000 0.609 1278 G C -0.306 174.269 174.900 -0.543 0.000 1.484 1278 G CA -0.074 44.511 45.100 -0.859 0.000 0.921 1278 G HN 1.821 nan 8.290 nan 0.000 0.658 1279 G N 0.282 108.900 108.800 -0.302 0.000 2.317 1279 G HA2 0.481 4.441 3.960 -0.000 0.000 0.445 1279 G HA3 0.481 4.441 3.960 -0.000 0.000 0.445 1279 G C -0.438 174.429 174.900 -0.055 0.000 1.486 1279 G CA -0.324 44.701 45.100 -0.125 0.000 0.991 1279 G HN 1.506 nan 8.290 nan 0.000 0.660 1280 H N 0.038 119.119 119.070 0.019 0.000 3.221 1280 H HA 0.164 4.720 4.556 -0.000 0.000 0.272 1280 H C 1.169 176.492 175.328 -0.008 0.000 0.865 1280 H CA 1.563 57.637 56.048 0.044 0.000 1.419 1280 H CB 0.230 30.033 29.762 0.067 0.000 1.377 1280 H HN 1.008 nan 8.280 nan 0.000 0.535 1281 A N 7.239 130.101 122.820 0.070 0.000 2.320 1281 A HA 0.262 4.582 4.320 -0.000 0.000 0.287 1281 A C -1.410 176.138 177.584 -0.060 0.000 1.181 1281 A CA -1.156 50.845 52.037 -0.060 0.000 0.831 1281 A CB 0.603 19.541 19.000 -0.104 0.000 1.102 1281 A HN 0.527 nan 8.150 nan 0.000 0.513 1282 P HA 0.132 nan 4.420 nan 0.000 0.291 1282 P C -0.355 176.825 177.300 -0.199 0.000 1.388 1282 P CA 0.229 63.108 63.100 -0.368 0.000 1.061 1282 P CB 0.592 31.778 31.700 -0.857 0.000 1.534 1283 D N -0.713 119.640 120.400 -0.078 0.000 2.402 1283 D HA -0.008 4.632 4.640 -0.000 0.000 0.216 1283 D C 1.432 177.747 176.300 0.025 0.000 1.128 1283 D CA -0.556 53.429 54.000 -0.024 0.000 0.833 1283 D CB -0.577 40.204 40.800 -0.031 0.000 0.971 1283 D HN -0.054 nan 8.370 nan 0.000 0.503 1284 I N 0.921 121.523 120.570 0.054 0.000 2.315 1284 I HA -0.188 3.982 4.170 -0.000 0.000 0.251 1284 I C 1.903 178.065 176.117 0.075 0.000 1.125 1284 I CA 0.873 62.223 61.300 0.083 0.000 1.392 1284 I CB -0.300 37.757 38.000 0.093 0.000 1.065 1284 I HN 0.151 nan 8.210 nan 0.000 0.424 1285 I N 0.437 121.057 120.570 0.084 0.000 2.381 1285 I HA -0.396 3.774 4.170 -0.000 0.000 0.255 1285 I C 2.226 178.425 176.117 0.138 0.000 1.140 1285 I CA 2.028 63.416 61.300 0.148 0.000 1.404 1285 I CB -0.349 37.740 38.000 0.147 0.000 1.075 1285 I HN 0.535 nan 8.210 nan 0.000 0.433 1286 T N -1.449 113.161 114.554 0.093 0.000 3.025 1286 T HA -0.034 4.316 4.350 -0.000 0.000 0.270 1286 T C 1.782 176.573 174.700 0.151 0.000 1.126 1286 T CA 0.763 62.922 62.100 0.099 0.000 1.105 1286 T CB -0.477 68.434 68.868 0.072 0.000 0.884 1286 T HN 0.414 nan 8.240 nan 0.000 0.522 1287 A N 1.265 124.158 122.820 0.122 0.000 2.019 1287 A HA -0.057 4.263 4.320 -0.000 0.000 0.219 1287 A C 2.643 180.321 177.584 0.157 0.000 1.164 1287 A CA 1.349 53.463 52.037 0.128 0.000 0.644 1287 A CB -1.540 17.462 19.000 0.003 0.000 0.805 1287 A HN 1.021 nan 8.150 nan 0.000 0.449 1288 C N -1.775 117.577 119.300 0.087 0.000 2.485 1288 C HA 0.446 4.906 4.460 -0.000 0.000 0.283 1288 C C 2.360 177.384 174.990 0.056 0.000 1.478 1288 C CA -0.045 59.003 59.018 0.051 0.000 1.741 1288 C CB -1.807 25.998 27.740 0.108 0.000 1.675 1288 C HN 0.633 nan 8.230 nan 0.000 0.573 1289 A N -0.471 122.379 122.820 0.050 0.000 2.072 1289 A HA 0.121 4.441 4.320 -0.000 0.000 0.216 1289 A C 1.005 178.465 177.584 -0.207 0.000 1.156 1289 A CA 0.326 52.297 52.037 -0.110 0.000 0.701 1289 A CB -0.596 18.253 19.000 -0.252 0.000 0.816 1289 A HN 0.850 nan 8.150 nan 0.000 0.458 1290 H N -0.096 118.965 119.070 -0.016 0.000 2.548 1290 H HA 0.165 4.721 4.556 -0.000 0.000 0.331 1290 H C -1.671 173.641 175.328 -0.027 0.000 1.093 1290 H CA -1.524 54.511 56.048 -0.021 0.000 1.367 1290 H CB 1.112 30.859 29.762 -0.024 0.000 1.455 1290 H HN 0.167 nan 8.280 nan 0.000 0.519 1291 P HA -0.120 nan 4.420 nan 0.000 0.223 1291 P C 0.796 178.109 177.300 0.021 0.000 1.151 1291 P CA 0.987 64.105 63.100 0.029 0.000 0.787 1291 P CB 0.337 32.045 31.700 0.013 0.000 0.788 1292 N N -0.397 118.326 118.700 0.037 0.000 2.270 1292 N HA 0.053 4.793 4.740 -0.000 0.000 0.198 1292 N C 0.274 175.773 175.510 -0.018 0.000 1.117 1292 N CA -0.111 52.938 53.050 -0.001 0.000 0.845 1292 N CB 0.026 38.510 38.487 -0.005 0.000 0.980 1292 N HN 0.196 nan 8.380 nan 0.000 0.486 1293 I N 1.777 122.348 120.570 0.001 0.000 2.336 1293 I HA 0.191 4.361 4.170 -0.000 0.000 0.292 1293 I C -0.609 175.477 176.117 -0.051 0.000 0.991 1293 I CA -0.811 60.474 61.300 -0.025 0.000 1.227 1293 I CB 1.603 39.600 38.000 -0.006 0.000 1.366 1293 I HN -0.158 nan 8.210 nan 0.000 0.466 1294 L N 8.984 130.162 121.223 -0.075 0.000 2.272 1294 L HA 0.449 4.789 4.340 -0.000 0.000 0.284 1294 L C -2.408 174.401 176.870 -0.102 0.000 1.045 1294 L CA -2.110 52.654 54.840 -0.128 0.000 0.842 1294 L CB 0.269 42.198 42.059 -0.216 0.000 1.224 1294 L HN 0.255 nan 8.230 nan 0.000 0.430 1295 P HA 0.416 nan 4.420 nan 0.000 0.300 1295 P C -0.664 176.517 177.300 -0.199 0.000 1.326 1295 P CA -0.424 62.537 63.100 -0.233 0.000 0.844 1295 P CB 1.796 33.168 31.700 -0.546 0.000 0.992 1296 S N 1.239 116.941 115.700 0.003 0.000 2.638 1296 S HA 0.747 5.217 4.470 -0.000 0.000 0.302 1296 S C -0.246 174.441 174.600 0.146 0.000 1.096 1296 S CA -0.700 57.593 58.200 0.155 0.000 0.953 1296 S CB 1.155 64.620 63.200 0.440 0.000 1.107 1296 S HN 0.245 nan 8.310 nan 0.000 0.503 1297 S N 1.008 116.913 115.700 0.341 0.000 2.593 1297 S HA 0.783 5.253 4.470 -0.000 0.000 0.297 1297 S C 0.151 174.884 174.600 0.222 0.000 1.112 1297 S CA -0.711 57.723 58.200 0.391 0.000 1.043 1297 S CB 1.481 65.041 63.200 0.599 0.000 1.054 1297 S HN 0.979 nan 8.310 nan 0.000 0.516 1298 T N 0.066 114.716 114.554 0.159 0.000 2.881 1298 T HA 0.315 4.665 4.350 -0.000 0.000 0.278 1298 T C 0.932 175.659 174.700 0.046 0.000 0.982 1298 T CA -0.687 61.422 62.100 0.016 0.000 0.989 1298 T CB 0.455 69.279 68.868 -0.073 0.000 1.058 1298 T HN 0.585 nan 8.240 nan 0.000 0.529 1299 N N -0.123 118.570 118.700 -0.011 0.000 2.424 1299 N HA 0.079 4.819 4.740 -0.000 0.000 0.178 1299 N C -1.168 174.362 175.510 0.033 0.000 1.060 1299 N CA -0.298 52.752 53.050 0.001 0.000 0.901 1299 N CB -1.291 37.172 38.487 -0.040 0.000 0.979 1299 N HN 0.410 nan 8.380 nan 0.000 0.451 1300 P HA -0.022 nan 4.420 nan 0.000 0.226 1300 P C 0.496 177.935 177.300 0.230 0.000 1.153 1300 P CA 1.322 64.508 63.100 0.143 0.000 0.777 1300 P CB -0.297 31.461 31.700 0.096 0.000 0.794 1301 T N -3.505 111.130 114.554 0.135 0.000 3.163 1301 T HA 0.271 4.621 4.350 -0.000 0.000 0.252 1301 T C 0.521 175.252 174.700 0.052 0.000 1.056 1301 T CA -0.209 61.903 62.100 0.018 0.000 0.947 1301 T CB -0.596 68.239 68.868 -0.055 0.000 1.016 1301 T HN -0.026 nan 8.240 nan 0.000 0.554 1302 L N 3.015 124.274 121.223 0.059 0.000 2.280 1302 L HA 0.533 4.873 4.340 -0.000 0.000 0.287 1302 L C -2.440 174.458 176.870 0.046 0.000 1.023 1302 L CA -2.341 52.523 54.840 0.040 0.000 0.819 1302 L CB 1.564 43.616 42.059 -0.012 0.000 1.212 1302 L HN -0.023 nan 8.230 nan 0.000 0.420 1303 P HA 0.134 nan 4.420 nan 0.000 0.304 1303 P C -1.337 176.054 177.300 0.153 0.000 1.310 1303 P CA -0.681 62.479 63.100 0.100 0.000 0.796 1303 P CB 0.905 32.665 31.700 0.101 0.000 1.297 1304 Y N 1.267 121.571 120.300 0.007 0.000 2.465 1304 Y HA 0.370 4.920 4.550 -0.000 0.000 0.331 1304 Y C 0.223 176.127 175.900 0.008 0.000 1.102 1304 Y CA 0.139 58.235 58.100 -0.008 0.000 1.358 1304 Y CB -0.479 37.974 38.460 -0.013 0.000 1.213 1304 Y HN 0.416 nan 8.280 nan 0.000 0.525 1305 T N 2.677 117.233 114.554 0.003 0.000 2.831 1305 T HA 0.370 4.720 4.350 -0.000 0.000 0.287 1305 T C 0.911 175.499 174.700 -0.186 0.000 1.070 1305 T CA -0.861 61.160 62.100 -0.132 0.000 1.010 1305 T CB 0.862 69.722 68.868 -0.014 0.000 1.264 1305 T HN 0.620 nan 8.240 nan 0.000 0.532 1306 L N 0.547 121.688 121.223 -0.137 0.000 2.127 1306 L HA -0.060 4.280 4.340 -0.000 0.000 0.211 1306 L C 2.211 179.069 176.870 -0.020 0.000 1.089 1306 L CA 1.207 55.989 54.840 -0.095 0.000 0.757 1306 L CB -0.404 41.618 42.059 -0.063 0.000 0.899 1306 L HN 0.661 nan 8.230 nan 0.000 0.434 1307 N N -1.328 117.379 118.700 0.012 0.000 2.353 1307 N HA -0.039 4.701 4.740 -0.000 0.000 0.185 1307 N C 1.599 177.164 175.510 0.092 0.000 1.098 1307 N CA 0.588 53.665 53.050 0.045 0.000 0.872 1307 N CB 0.226 38.738 38.487 0.040 0.000 0.970 1307 N HN 0.240 nan 8.380 nan 0.000 0.467 1308 T N 2.231 116.853 114.554 0.114 0.000 2.607 1308 T HA -0.104 4.246 4.350 -0.000 0.000 0.267 1308 T C 1.979 176.780 174.700 0.168 0.000 1.049 1308 T CA 0.839 63.039 62.100 0.166 0.000 1.162 1308 T CB 0.018 68.995 68.868 0.181 0.000 0.863 1308 T HN 0.125 nan 8.240 nan 0.000 0.424 1309 I N 1.591 122.241 120.570 0.133 0.000 2.179 1309 I HA -0.138 4.032 4.170 -0.000 0.000 0.242 1309 I C 2.298 178.483 176.117 0.112 0.000 1.088 1309 I CA 1.471 62.831 61.300 0.100 0.000 1.357 1309 I CB -1.167 36.891 38.000 0.096 0.000 1.051 1309 I HN 0.231 nan 8.210 nan 0.000 0.409 1310 D N 0.699 121.154 120.400 0.091 0.000 2.116 1310 D HA -0.256 4.384 4.640 -0.000 0.000 0.193 1310 D C 2.039 178.385 176.300 0.077 0.000 0.998 1310 D CA 1.475 55.517 54.000 0.070 0.000 0.836 1310 D CB -0.265 40.565 40.800 0.050 0.000 0.951 1310 D HN 0.463 nan 8.370 nan 0.000 0.449 1311 E N -0.160 120.100 120.200 0.099 0.000 2.038 1311 E HA -0.235 4.115 4.350 -0.000 0.000 0.195 1311 E C 1.973 178.608 176.600 0.057 0.000 1.000 1311 E CA 1.233 57.676 56.400 0.073 0.000 0.803 1311 E CB -0.027 29.732 29.700 0.098 0.000 0.750 1311 E HN 0.362 nan 8.360 nan 0.000 0.448 1312 H N -0.301 118.771 119.070 0.004 0.000 2.389 1312 H HA -0.073 4.483 4.556 -0.000 0.000 0.299 1312 H C 1.802 177.125 175.328 -0.009 0.000 1.081 1312 H CA 1.236 57.280 56.048 -0.007 0.000 1.345 1312 H CB -0.130 29.625 29.762 -0.011 0.000 1.393 1312 H HN 0.150 nan 8.280 nan 0.000 0.520 1313 L N 0.680 121.985 121.223 0.137 0.000 2.012 1313 L HA -0.178 4.162 4.340 -0.000 0.000 0.210 1313 L C 1.728 178.626 176.870 0.047 0.000 1.073 1313 L CA 1.977 56.861 54.840 0.073 0.000 0.748 1313 L CB -0.645 41.448 42.059 0.057 0.000 0.891 1313 L HN 0.215 nan 8.230 nan 0.000 0.431 1314 D N -1.686 118.734 120.400 0.034 0.000 2.149 1314 D HA -0.227 4.413 4.640 -0.000 0.000 0.201 1314 D C 2.310 178.604 176.300 -0.009 0.000 0.972 1314 D CA 1.182 55.189 54.000 0.012 0.000 0.835 1314 D CB -0.023 40.780 40.800 0.005 0.000 0.966 1314 D HN 0.355 nan 8.370 nan 0.000 0.476 1315 M N -0.200 119.379 119.600 -0.035 0.000 2.065 1315 M HA -0.186 4.294 4.480 -0.000 0.000 0.259 1315 M C 1.987 178.259 176.300 -0.046 0.000 1.069 1315 M CA 1.312 56.565 55.300 -0.079 0.000 1.110 1315 M CB -0.184 32.307 32.600 -0.182 0.000 1.328 1315 M HN 0.206 nan 8.290 nan 0.000 0.405 1316 L N 0.649 121.865 121.223 -0.013 0.000 2.012 1316 L HA -0.236 4.104 4.340 -0.000 0.000 0.210 1316 L C 2.375 179.277 176.870 0.053 0.000 1.073 1316 L CA 1.979 56.838 54.840 0.032 0.000 0.748 1316 L CB -0.620 41.472 42.059 0.055 0.000 0.891 1316 L HN 0.380 nan 8.230 nan 0.000 0.431 1317 M N -1.590 118.038 119.600 0.046 0.000 2.108 1317 M HA -0.190 4.290 4.480 -0.000 0.000 0.261 1317 M C 2.064 178.374 176.300 0.017 0.000 1.066 1317 M CA 1.722 57.050 55.300 0.046 0.000 1.107 1317 M CB -0.412 32.210 32.600 0.036 0.000 1.356 1317 M HN 0.140 nan 8.290 nan 0.000 0.406 1318 V N -0.421 119.490 119.914 -0.004 0.000 2.343 1318 V HA -0.266 3.854 4.120 -0.000 0.000 0.247 1318 V C 1.294 177.367 176.094 -0.035 0.000 1.051 1318 V CA 1.130 63.415 62.300 -0.024 0.000 1.036 1318 V CB -0.772 31.029 31.823 -0.037 0.000 0.654 1318 V HN 0.546 nan 8.190 nan 0.000 0.451 1331 A N -0.064 122.826 122.820 0.117 0.000 2.015 1331 A HA -0.100 4.220 4.320 -0.000 0.000 0.219 1331 A C 1.790 179.451 177.584 0.128 0.000 1.163 1331 A CA 2.177 54.278 52.037 0.107 0.000 0.646 1331 A CB -0.471 18.590 19.000 0.102 0.000 0.806 1331 A HN 0.657 nan 8.150 nan 0.000 0.448 1332 F N 1.119 121.091 119.950 0.036 0.000 2.084 1332 F HA -0.032 4.495 4.527 -0.000 0.000 0.296 1332 F C 2.493 178.310 175.800 0.028 0.000 1.111 1332 F CA 1.348 59.367 58.000 0.032 0.000 1.224 1332 F CB -0.577 38.436 39.000 0.022 0.000 0.991 1332 F HN 0.237 nan 8.300 nan 0.000 0.471 1333 A N 0.129 122.953 122.820 0.007 0.000 1.917 1333 A HA -0.268 4.052 4.320 -0.000 0.000 0.219 1333 A C 2.123 179.623 177.584 -0.141 0.000 1.182 1333 A CA 2.166 54.154 52.037 -0.083 0.000 0.633 1333 A CB -1.053 17.990 19.000 0.072 0.000 0.819 1333 A HN 0.618 nan 8.150 nan 0.000 0.448 1334 E N -0.153 120.015 120.200 -0.054 0.000 2.208 1334 E HA -0.102 4.248 4.350 -0.000 0.000 0.193 1334 E C 2.219 178.815 176.600 -0.008 0.000 0.988 1334 E CA 1.049 57.442 56.400 -0.012 0.000 0.828 1334 E CB -0.069 29.654 29.700 0.038 0.000 0.763 1334 E HN 0.829 nan 8.360 nan 0.000 0.478 1335 S N 0.223 115.870 115.700 -0.088 0.000 2.470 1335 S HA -0.049 4.421 4.470 -0.000 0.000 0.225 1335 S C 1.883 176.317 174.600 -0.277 0.000 1.006 1335 S CA 0.364 58.499 58.200 -0.107 0.000 0.934 1335 S CB 0.151 63.301 63.200 -0.085 0.000 0.778 1335 S HN 0.091 nan 8.310 nan 0.000 0.517 1336 R N 0.231 120.519 120.500 -0.354 0.000 2.090 1336 R HA 0.275 4.615 4.340 -0.000 0.000 0.219 1336 R C -0.065 176.101 176.300 -0.223 0.000 1.100 1336 R CA 0.491 56.377 56.100 -0.357 0.000 0.991 1336 R CB 0.125 30.091 30.300 -0.556 0.000 0.893 1336 R HN 0.302 nan 8.270 nan 0.000 0.443 1337 I N 2.863 123.337 120.570 -0.160 0.000 2.297 1337 I HA 0.268 4.438 4.170 -0.000 0.000 0.291 1337 I C -0.644 175.425 176.117 -0.079 0.000 1.033 1337 I CA -0.075 61.166 61.300 -0.099 0.000 1.253 1337 I CB 1.221 39.200 38.000 -0.035 0.000 1.396 1337 I HN 0.201 nan 8.210 nan 0.000 0.476 1338 R N 4.747 125.186 120.500 -0.102 0.000 2.574 1338 R HA 0.429 4.769 4.340 -0.000 0.000 0.288 1338 R C 0.847 177.089 176.300 -0.097 0.000 1.004 1338 R CA -0.809 55.266 56.100 -0.042 0.000 0.895 1338 R CB 2.486 32.759 30.300 -0.045 0.000 1.191 1338 R HN 0.419 nan 8.270 nan 0.000 0.444 1339 R N 1.272 121.731 120.500 -0.069 0.000 2.105 1339 R HA -0.192 4.148 4.340 -0.000 0.000 0.239 1339 R C 0.778 176.952 176.300 -0.210 0.000 1.135 1339 R CA 1.834 57.838 56.100 -0.159 0.000 0.967 1339 R CB 0.225 30.513 30.300 -0.020 0.000 0.861 1339 R HN 0.566 nan 8.270 nan 0.000 0.442 1340 E N -1.052 119.103 120.200 -0.075 0.000 2.077 1340 E HA -0.152 4.198 4.350 -0.000 0.000 0.193 1340 E C 1.976 178.519 176.600 -0.094 0.000 0.989 1340 E CA 2.013 58.382 56.400 -0.051 0.000 0.800 1340 E CB -0.177 29.547 29.700 0.041 0.000 0.746 1340 E HN 0.485 nan 8.360 nan 0.000 0.452 1341 T N -1.427 113.066 114.554 -0.102 0.000 2.978 1341 T HA 0.052 4.402 4.350 -0.000 0.000 0.262 1341 T C 2.010 176.603 174.700 -0.178 0.000 1.063 1341 T CA 0.371 62.402 62.100 -0.114 0.000 1.140 1341 T CB -0.272 68.539 68.868 -0.095 0.000 0.886 1341 T HN 0.022 nan 8.240 nan 0.000 0.470 1342 I N 1.942 122.356 120.570 -0.260 0.000 2.179 1342 I HA -0.083 4.087 4.170 -0.000 0.000 0.242 1342 I C 3.170 179.009 176.117 -0.464 0.000 1.088 1342 I CA 1.256 62.337 61.300 -0.364 0.000 1.357 1342 I CB -0.497 37.221 38.000 -0.470 0.000 1.051 1342 I HN 0.341 nan 8.210 nan 0.000 0.409 1343 A N 0.521 122.999 122.820 -0.571 0.000 1.930 1343 A HA -0.115 4.205 4.320 -0.000 0.000 0.217 1343 A C 2.481 179.975 177.584 -0.151 0.000 1.175 1343 A CA 1.748 53.545 52.037 -0.400 0.000 0.627 1343 A CB -0.709 18.165 19.000 -0.211 0.000 0.815 1343 A HN 0.435 nan 8.150 nan 0.000 0.443 1344 A N -0.253 122.476 122.820 -0.153 0.000 1.968 1344 A HA -0.091 4.228 4.320 -0.000 0.000 0.217 1344 A C 1.967 179.438 177.584 -0.188 0.000 1.169 1344 A CA 1.547 53.510 52.037 -0.123 0.000 0.638 1344 A CB -0.488 18.446 19.000 -0.109 0.000 0.812 1344 A HN 0.690 nan 8.150 nan 0.000 0.446 1345 E N 0.303 120.357 120.200 -0.244 0.000 2.130 1345 E HA -0.288 4.061 4.350 -0.000 0.000 0.196 1345 E C 1.092 177.561 176.600 -0.219 0.000 0.998 1345 E CA 1.655 57.818 56.400 -0.395 0.000 0.806 1345 E CB -0.210 29.345 29.700 -0.242 0.000 0.738 1345 E HN 0.537 nan 8.360 nan 0.000 0.459 1346 D N 0.142 120.514 120.400 -0.046 0.000 2.123 1346 D HA -0.149 4.490 4.640 -0.000 0.000 0.196 1346 D C 2.079 178.427 176.300 0.080 0.000 0.992 1346 D CA 1.344 55.390 54.000 0.077 0.000 0.833 1346 D CB -0.238 40.625 40.800 0.105 0.000 0.954 1346 D HN 0.163 nan 8.370 nan 0.000 0.455 1347 V N 0.827 120.745 119.914 0.008 0.000 2.427 1347 V HA -0.155 3.965 4.120 -0.000 0.000 0.248 1347 V C 2.532 178.601 176.094 -0.041 0.000 1.051 1347 V CA 0.956 63.263 62.300 0.011 0.000 1.048 1347 V CB -0.424 31.396 31.823 -0.006 0.000 0.666 1347 V HN 0.187 nan 8.190 nan 0.000 0.456 1348 L N -1.119 119.996 121.223 -0.180 0.000 2.217 1348 L HA -0.105 4.235 4.340 -0.000 0.000 0.211 1348 L C 2.623 179.359 176.870 -0.223 0.000 1.107 1348 L CA 1.055 55.754 54.840 -0.236 0.000 0.783 1348 L CB -0.740 41.029 42.059 -0.482 0.000 0.919 1348 L HN 0.400 nan 8.230 nan 0.000 0.442 1349 H N -0.276 118.677 119.070 -0.195 0.000 2.326 1349 H HA -0.186 4.370 4.556 -0.000 0.000 0.301 1349 H C 1.774 177.002 175.328 -0.167 0.000 1.081 1349 H CA 1.866 57.826 56.048 -0.147 0.000 1.334 1349 H CB 0.020 29.719 29.762 -0.105 0.000 1.385 1349 H HN 0.291 nan 8.280 nan 0.000 0.504 1350 D N 0.565 121.045 120.400 0.134 0.000 2.133 1350 D HA -0.129 4.511 4.640 -0.000 0.000 0.195 1350 D C 2.182 178.558 176.300 0.126 0.000 0.997 1350 D CA 0.659 54.779 54.000 0.199 0.000 0.840 1350 D CB -0.224 40.714 40.800 0.230 0.000 0.947 1350 D HN 0.250 nan 8.370 nan 0.000 0.452 1351 L N -1.283 119.983 121.223 0.071 0.000 2.552 1351 L HA 0.143 4.483 4.340 -0.000 0.000 0.227 1351 L C 1.695 178.604 176.870 0.066 0.000 1.146 1351 L CA 0.553 55.434 54.840 0.067 0.000 0.858 1351 L CB -0.231 41.848 42.059 0.034 0.000 0.969 1351 L HN 0.273 nan 8.230 nan 0.000 0.451 1352 G N -0.437 108.383 108.800 0.033 0.000 2.143 1352 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.249 1352 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.249 1352 G C 0.958 175.882 174.900 0.039 0.000 0.981 1352 G CA 0.488 45.612 45.100 0.040 0.000 0.665 1352 G HN 0.447 nan 8.290 nan 0.000 0.528 1353 A N -1.087 121.757 122.820 0.041 0.000 2.021 1353 A HA 0.642 4.962 4.320 -0.000 0.000 0.216 1353 A C 0.635 178.340 177.584 0.202 0.000 1.163 1353 A CA 0.820 52.912 52.037 0.092 0.000 0.676 1353 A CB 0.077 19.130 19.000 0.088 0.000 0.818 1353 A HN 0.562 nan 8.150 nan 0.000 0.453 1354 F N -0.530 119.270 119.950 -0.250 0.000 2.436 1354 F HA 0.467 4.994 4.527 -0.000 0.000 0.340 1354 F C 1.144 176.803 175.800 -0.235 0.000 1.113 1354 F CA -1.077 56.707 58.000 -0.360 0.000 1.022 1354 F CB 2.110 40.562 39.000 -0.913 0.000 1.128 1354 F HN -0.034 nan 8.300 nan 0.000 0.466 1355 S N 2.041 117.746 115.700 0.009 0.000 2.506 1355 S HA 0.336 4.806 4.470 -0.000 0.000 0.219 1355 S C -0.199 174.427 174.600 0.043 0.000 1.031 1355 S CA 0.086 58.291 58.200 0.008 0.000 0.911 1355 S CB 0.416 63.586 63.200 -0.050 0.000 0.812 1355 S HN 0.250 nan 8.310 nan 0.000 0.497 1356 L N 1.565 122.855 121.223 0.110 0.000 2.371 1356 L HA 0.563 4.903 4.340 -0.000 0.000 0.262 1356 L C -0.074 176.941 176.870 0.242 0.000 1.006 1356 L CA -0.318 54.599 54.840 0.128 0.000 0.818 1356 L CB 1.999 44.106 42.059 0.080 0.000 1.354 1356 L HN 0.056 nan 8.230 nan 0.000 0.415 1357 T N -1.793 112.867 114.554 0.177 0.000 2.932 1357 T HA 0.972 5.322 4.350 -0.000 0.000 0.289 1357 T C -0.340 174.431 174.700 0.118 0.000 1.039 1357 T CA -0.536 61.645 62.100 0.135 0.000 1.024 1357 T CB 1.869 70.756 68.868 0.032 0.000 1.090 1357 T HN 0.774 nan 8.240 nan 0.000 0.496 1358 S N -0.149 115.591 115.700 0.066 0.000 2.661 1358 S HA 0.580 5.050 4.470 -0.000 0.000 0.268 1358 S C 0.807 175.373 174.600 -0.058 0.000 1.162 1358 S CA -0.140 58.074 58.200 0.023 0.000 0.817 1358 S CB 0.973 64.196 63.200 0.039 0.000 1.141 1358 S HN 1.123 nan 8.310 nan 0.000 0.477 1359 S N 0.150 115.786 115.700 -0.107 0.000 2.370 1359 S HA 0.254 4.724 4.470 -0.000 0.000 0.214 1359 S C 0.323 174.773 174.600 -0.250 0.000 1.033 1359 S CA 1.160 59.273 58.200 -0.146 0.000 0.941 1359 S CB -0.773 62.354 63.200 -0.122 0.000 0.886 1359 S HN 1.278 nan 8.310 nan 0.000 0.521 1360 D N 0.845 121.010 120.400 -0.393 0.000 2.813 1360 D HA -0.135 4.505 4.640 -0.000 0.000 0.241 1360 D C -0.502 175.687 176.300 -0.185 0.000 1.071 1360 D CA 0.540 54.223 54.000 -0.529 0.000 0.747 1360 D CB -1.816 38.660 40.800 -0.541 0.000 1.077 1360 D HN 0.392 nan 8.370 nan 0.000 0.436 1361 S N 0.764 116.422 115.700 -0.071 0.000 2.811 1361 S HA -0.037 4.433 4.470 -0.000 0.000 0.325 1361 S C 1.090 175.637 174.600 -0.087 0.000 1.224 1361 S CA 1.512 59.666 58.200 -0.077 0.000 1.125 1361 S CB 0.096 63.235 63.200 -0.101 0.000 0.867 1361 S HN 0.359 nan 8.310 nan 0.000 0.512 1362 Q N 1.164 120.897 119.800 -0.113 0.000 2.468 1362 Q HA -0.284 4.056 4.340 -0.000 0.000 0.256 1362 Q C 0.160 176.053 176.000 -0.179 0.000 0.984 1362 Q CA 0.970 56.706 55.803 -0.112 0.000 1.110 1362 Q CB -1.755 26.953 28.738 -0.049 0.000 1.527 1362 Q HN 0.810 nan 8.270 nan 0.000 0.535 1363 A N 0.013 122.672 122.820 -0.268 0.000 2.806 1363 A HA 0.586 4.906 4.320 -0.000 0.000 0.266 1363 A C 0.482 177.928 177.584 -0.231 0.000 0.926 1363 A CA 0.239 52.061 52.037 -0.359 0.000 1.068 1363 A CB 0.412 18.859 19.000 -0.922 0.000 1.189 1363 A HN 0.369 nan 8.150 nan 0.000 0.481 1364 M N -1.521 117.970 119.600 -0.181 0.000 2.857 1364 M HA -0.137 4.343 4.480 -0.000 0.000 0.228 1364 M C 0.159 176.372 176.300 -0.146 0.000 0.474 1364 M CA 0.784 55.990 55.300 -0.157 0.000 0.767 1364 M CB -1.484 31.045 32.600 -0.119 0.000 2.826 1364 M HN 1.062 nan 8.290 nan 0.000 0.633 1365 G N 0.471 109.180 108.800 -0.152 0.000 2.579 1365 G HA2 0.699 4.659 3.960 -0.000 0.000 0.292 1365 G HA3 0.699 4.659 3.960 -0.000 0.000 0.292 1365 G C -1.481 173.345 174.900 -0.123 0.000 1.484 1365 G CA -1.117 43.902 45.100 -0.135 0.000 0.813 1365 G HN 0.214 nan 8.290 nan 0.000 0.515 1366 R N 1.388 121.823 120.500 -0.108 0.000 2.288 1366 R HA 0.387 4.727 4.340 -0.000 0.000 0.326 1366 R C 0.862 177.103 176.300 -0.098 0.000 0.959 1366 R CA -0.742 55.297 56.100 -0.101 0.000 0.834 1366 R CB 2.133 32.373 30.300 -0.100 0.000 1.157 1366 R HN 0.302 nan 8.270 nan 0.000 0.470 1367 V N 2.647 122.507 119.914 -0.091 0.000 2.688 1367 V HA -0.134 3.986 4.120 -0.000 0.000 0.256 1367 V C 1.384 177.433 176.094 -0.075 0.000 1.084 1367 V CA 2.451 64.701 62.300 -0.084 0.000 1.103 1367 V CB 0.007 31.785 31.823 -0.076 0.000 0.688 1367 V HN 0.998 nan 8.190 nan 0.000 0.480 1368 G N -1.508 107.245 108.800 -0.079 0.000 3.393 1368 G HA2 0.157 4.117 3.960 -0.000 0.000 0.255 1368 G HA3 0.157 4.117 3.960 -0.000 0.000 0.255 1368 G C 0.743 175.597 174.900 -0.077 0.000 1.097 1368 G CA -0.020 45.037 45.100 -0.072 0.000 0.780 1368 G HN 0.572 nan 8.290 nan 0.000 0.540 1369 E N 0.080 120.225 120.200 -0.092 0.000 2.603 1369 E HA 0.126 4.476 4.350 -0.000 0.000 0.211 1369 E C 1.602 178.136 176.600 -0.110 0.000 0.995 1369 E CA -0.175 56.167 56.400 -0.096 0.000 0.990 1369 E CB 1.077 30.715 29.700 -0.103 0.000 1.036 1369 E HN 0.203 nan 8.360 nan 0.000 0.475 1370 V N 1.199 121.035 119.914 -0.129 0.000 2.307 1370 V HA -0.258 3.862 4.120 -0.000 0.000 0.245 1370 V C 2.200 178.123 176.094 -0.285 0.000 1.045 1370 V CA 1.583 63.786 62.300 -0.161 0.000 1.024 1370 V CB -0.293 31.455 31.823 -0.126 0.000 0.651 1370 V HN 0.329 nan 8.190 nan 0.000 0.449 1371 I N 0.444 120.776 120.570 -0.398 0.000 2.202 1371 I HA -0.209 3.961 4.170 -0.000 0.000 0.242 1371 I C 2.468 178.427 176.117 -0.262 0.000 1.091 1371 I CA 1.643 62.563 61.300 -0.633 0.000 1.368 1371 I CB -0.586 37.063 38.000 -0.584 0.000 1.058 1371 I HN 0.386 nan 8.210 nan 0.000 0.410 1372 L N 0.306 121.463 121.223 -0.109 0.000 2.046 1372 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 1372 L C 2.451 179.317 176.870 -0.007 0.000 1.077 1372 L CA 1.668 56.506 54.840 -0.004 0.000 0.747 1372 L CB -0.977 41.095 42.059 0.022 0.000 0.896 1372 L HN 0.001 nan 8.230 nan 0.000 0.432 1373 R N -0.257 120.205 120.500 -0.064 0.000 2.090 1373 R HA -0.046 4.294 4.340 -0.000 0.000 0.228 1373 R C 2.224 178.473 176.300 -0.084 0.000 1.110 1373 R CA 1.577 57.647 56.100 -0.051 0.000 0.973 1373 R CB -0.719 29.549 30.300 -0.053 0.000 0.869 1373 R HN 0.484 nan 8.270 nan 0.000 0.440 1374 T N -0.144 114.299 114.554 -0.185 0.000 2.720 1374 T HA -0.179 4.171 4.350 -0.000 0.000 0.268 1374 T C 1.245 175.768 174.700 -0.294 0.000 1.037 1374 T CA 1.426 63.377 62.100 -0.248 0.000 1.144 1374 T CB -0.232 68.434 68.868 -0.337 0.000 0.864 1374 T HN 0.439 nan 8.240 nan 0.000 0.444 1375 W N 1.465 122.769 121.300 0.007 0.000 2.402 1375 W HA 0.002 4.662 4.660 -0.000 0.000 0.286 1375 W C 2.639 179.123 176.519 -0.058 0.000 1.221 1375 W CA 0.099 57.423 57.345 -0.035 0.000 1.257 1375 W CB -0.263 29.182 29.460 -0.024 0.000 1.120 1375 W HN 0.315 nan 8.180 nan 0.000 0.551 1376 Q N 0.006 119.878 119.800 0.120 0.000 2.119 1376 Q HA -0.173 4.167 4.340 -0.000 0.000 0.201 1376 Q C 2.163 178.221 176.000 0.097 0.000 0.972 1376 Q CA 1.712 57.572 55.803 0.095 0.000 0.847 1376 Q CB -0.516 28.256 28.738 0.057 0.000 0.903 1376 Q HN 0.164 nan 8.270 nan 0.000 0.433 1377 V N 0.896 120.831 119.914 0.035 0.000 2.295 1377 V HA -0.296 3.824 4.120 -0.000 0.000 0.246 1377 V C 2.263 178.313 176.094 -0.073 0.000 1.049 1377 V CA 1.842 64.166 62.300 0.040 0.000 1.024 1377 V CB -1.009 30.861 31.823 0.078 0.000 0.648 1377 V HN 0.416 nan 8.190 nan 0.000 0.447 1378 A N -0.277 122.302 122.820 -0.401 0.000 1.908 1378 A HA -0.329 3.991 4.320 -0.000 0.000 0.218 1378 A C 2.104 179.592 177.584 -0.161 0.000 1.181 1378 A CA 2.501 54.110 52.037 -0.713 0.000 0.627 1378 A CB -0.890 17.548 19.000 -0.937 0.000 0.818 1378 A HN 0.816 nan 8.150 nan 0.000 0.445 1379 H N -0.753 118.269 119.070 -0.080 0.000 2.293 1379 H HA -0.058 4.498 4.556 -0.000 0.000 0.300 1379 H C 2.209 177.536 175.328 -0.001 0.000 1.082 1379 H CA 1.827 57.868 56.048 -0.013 0.000 1.308 1379 H CB -0.027 29.744 29.762 0.015 0.000 1.375 1379 H HN 0.224 nan 8.280 nan 0.000 0.495 1380 R N -0.173 120.349 120.500 0.037 0.000 2.152 1380 R HA -0.088 4.252 4.340 -0.000 0.000 0.232 1380 R C 2.126 178.411 176.300 -0.025 0.000 1.117 1380 R CA 1.151 57.251 56.100 0.001 0.000 0.981 1380 R CB -0.237 30.120 30.300 0.094 0.000 0.870 1380 R HN 0.498 nan 8.270 nan 0.000 0.451 1381 M N 0.095 119.693 119.600 -0.002 0.000 2.236 1381 M HA -0.056 4.424 4.480 -0.000 0.000 0.266 1381 M C 2.130 178.431 176.300 0.001 0.000 1.070 1381 M CA 1.117 56.438 55.300 0.035 0.000 1.137 1381 M CB -0.624 32.044 32.600 0.113 0.000 1.378 1381 M HN 0.029 nan 8.290 nan 0.000 0.426 1382 K N 0.579 120.954 120.400 -0.043 0.000 2.026 1382 K HA -0.106 4.214 4.320 -0.000 0.000 0.208 1382 K C 1.837 178.395 176.600 -0.071 0.000 1.048 1382 K CA 1.251 57.516 56.287 -0.037 0.000 0.929 1382 K CB 0.041 32.517 32.500 -0.039 0.000 0.713 1382 K HN 0.068 nan 8.250 nan 0.000 0.439 1383 V N 1.540 121.358 119.914 -0.159 0.000 2.392 1383 V HA -0.257 3.863 4.120 -0.000 0.000 0.249 1383 V C 2.241 178.296 176.094 -0.064 0.000 1.059 1383 V CA 1.947 64.159 62.300 -0.148 0.000 1.051 1383 V CB -0.387 31.289 31.823 -0.245 0.000 0.658 1383 V HN 0.447 nan 8.190 nan 0.000 0.455 1384 Q N -1.035 118.742 119.800 -0.039 0.000 2.250 1384 Q HA 0.056 4.396 4.340 -0.000 0.000 0.200 1384 Q C 2.193 178.197 176.000 0.008 0.000 0.941 1384 Q CA 0.732 56.531 55.803 -0.006 0.000 0.872 1384 Q CB 0.132 28.878 28.738 0.013 0.000 0.965 1384 Q HN 0.549 nan 8.270 nan 0.000 0.480 1385 R N -0.509 120.000 120.500 0.015 0.000 2.373 1385 R HA 0.237 4.577 4.340 -0.000 0.000 0.221 1385 R C 0.619 176.935 176.300 0.028 0.000 0.893 1385 R CA 0.430 56.547 56.100 0.028 0.000 1.049 1385 R CB 1.201 31.530 30.300 0.048 0.000 1.119 1385 R HN 0.211 nan 8.270 nan 0.000 0.535 1386 G N 1.407 110.219 108.800 0.020 0.000 2.593 1386 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.237 1386 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.237 1386 G C -0.394 174.533 174.900 0.046 0.000 1.312 1386 G CA -0.426 44.688 45.100 0.024 0.000 0.896 1386 G HN 0.399 nan 8.290 nan 0.000 0.574 1387 A N -0.536 122.311 122.820 0.046 0.000 2.371 1387 A HA 0.657 4.976 4.320 -0.000 0.000 0.257 1387 A C 0.897 178.530 177.584 0.081 0.000 1.089 1387 A CA -0.055 52.022 52.037 0.067 0.000 0.794 1387 A CB 0.210 19.241 19.000 0.052 0.000 1.029 1387 A HN 1.194 nan 8.150 nan 0.000 0.488 1388 L N 1.588 122.887 121.223 0.127 0.000 2.467 1388 L HA 0.154 4.494 4.340 -0.000 0.000 0.270 1388 L C 1.878 178.783 176.870 0.058 0.000 1.205 1388 L CA 0.052 54.976 54.840 0.140 0.000 0.828 1388 L CB 0.658 42.891 42.059 0.290 0.000 1.101 1388 L HN 0.935 nan 8.230 nan 0.000 0.479 1389 A N 1.908 124.742 122.820 0.023 0.000 1.986 1389 A HA -0.195 4.125 4.320 -0.000 0.000 0.220 1389 A C 1.868 179.387 177.584 -0.107 0.000 1.171 1389 A CA 1.638 53.657 52.037 -0.031 0.000 0.640 1389 A CB -0.409 18.573 19.000 -0.030 0.000 0.811 1389 A HN 0.878 nan 8.150 nan 0.000 0.451 1390 E N 0.153 120.217 120.200 -0.226 0.000 2.418 1390 E HA 0.006 4.356 4.350 -0.000 0.000 0.197 1390 E C 0.410 176.839 176.600 -0.286 0.000 1.026 1390 E CA 0.221 56.325 56.400 -0.494 0.000 0.862 1390 E CB -0.009 28.794 29.700 -1.496 0.000 0.799 1390 E HN 0.492 nan 8.360 nan 0.000 0.518 1391 E N -0.294 119.869 120.200 -0.062 0.000 2.392 1391 E HA 0.010 4.360 4.350 -0.000 0.000 0.264 1391 E C 0.948 177.552 176.600 0.007 0.000 1.024 1391 E CA 0.311 56.735 56.400 0.041 0.000 0.903 1391 E CB 0.943 30.690 29.700 0.078 0.000 0.963 1391 E HN 0.194 nan 8.360 nan 0.000 0.432 1392 T N -0.504 114.066 114.554 0.027 0.000 2.999 1392 T HA 0.359 4.709 4.350 -0.000 0.000 0.247 1392 T C 0.881 175.589 174.700 0.014 0.000 1.012 1392 T CA 0.241 62.348 62.100 0.012 0.000 1.048 1392 T CB 0.331 69.210 68.868 0.019 0.000 1.020 1392 T HN 0.323 nan 8.240 nan 0.000 0.478 1393 G N 0.456 109.269 108.800 0.022 0.000 3.209 1393 G HA2 0.498 4.458 3.960 -0.000 0.000 0.236 1393 G HA3 0.498 4.458 3.960 -0.000 0.000 0.236 1393 G C -1.569 173.334 174.900 0.006 0.000 1.329 1393 G CA -0.562 44.545 45.100 0.012 0.000 1.015 1393 G HN 0.150 nan 8.290 nan 0.000 0.571 1394 D N 0.576 120.970 120.400 -0.011 0.000 2.631 1394 D HA 0.263 4.903 4.640 -0.000 0.000 0.227 1394 D C 0.197 176.479 176.300 -0.030 0.000 1.146 1394 D CA -0.403 53.578 54.000 -0.031 0.000 1.009 1394 D CB -0.832 39.931 40.800 -0.061 0.000 1.057 1394 D HN 0.545 nan 8.370 nan 0.000 0.509 1395 N N 0.128 118.837 118.700 0.015 0.000 3.261 1395 N HA 0.100 4.840 4.740 -0.000 0.000 0.248 1395 N C -1.074 174.488 175.510 0.085 0.000 1.498 1395 N CA -0.693 52.391 53.050 0.058 0.000 0.884 1395 N CB 0.719 39.241 38.487 0.059 0.000 1.428 1395 N HN -0.128 nan 8.380 nan 0.000 0.517 1396 D N -0.259 120.207 120.400 0.109 0.000 2.559 1396 D HA 0.130 4.769 4.640 -0.000 0.000 0.234 1396 D C 0.305 176.660 176.300 0.092 0.000 1.226 1396 D CA -0.236 53.828 54.000 0.107 0.000 0.830 1396 D CB -0.028 40.835 40.800 0.105 0.000 1.028 1396 D HN 0.343 nan 8.370 nan 0.000 0.492 1397 N N 0.869 119.617 118.700 0.081 0.000 2.060 1397 N HA -0.210 4.530 4.740 -0.000 0.000 0.195 1397 N C 1.468 177.015 175.510 0.062 0.000 1.028 1397 N CA 0.835 53.919 53.050 0.055 0.000 0.861 1397 N CB -0.534 37.986 38.487 0.055 0.000 1.029 1397 N HN 0.292 nan 8.380 nan 0.000 0.428 1398 F N 1.684 121.637 119.950 0.004 0.000 2.095 1398 F HA -0.151 4.376 4.527 -0.000 0.000 0.298 1398 F C 2.624 178.440 175.800 0.027 0.000 1.104 1398 F CA 1.481 59.462 58.000 -0.032 0.000 1.232 1398 F CB -0.142 38.839 39.000 -0.032 0.000 0.987 1398 F HN -0.065 nan 8.300 nan 0.000 0.475 1399 R N 0.188 120.713 120.500 0.041 0.000 2.083 1399 R HA -0.169 4.171 4.340 -0.000 0.000 0.237 1399 R C 2.056 178.434 176.300 0.130 0.000 1.137 1399 R CA 2.209 58.365 56.100 0.093 0.000 0.951 1399 R CB -0.784 29.625 30.300 0.182 0.000 0.851 1399 R HN 0.298 nan 8.270 nan 0.000 0.434 1400 V N 1.410 121.402 119.914 0.130 0.000 2.287 1400 V HA -0.292 3.828 4.120 -0.000 0.000 0.248 1400 V C 2.227 178.448 176.094 0.213 0.000 1.053 1400 V CA 2.296 64.760 62.300 0.273 0.000 1.027 1400 V CB -0.473 31.388 31.823 0.063 0.000 0.646 1400 V HN 0.412 nan 8.190 nan 0.000 0.447 1401 K N -0.174 120.196 120.400 -0.051 0.000 2.097 1401 K HA -0.187 4.133 4.320 -0.000 0.000 0.205 1401 K C 2.350 178.898 176.600 -0.087 0.000 1.050 1401 K CA 1.535 57.772 56.287 -0.084 0.000 0.938 1401 K CB -0.284 32.067 32.500 -0.248 0.000 0.718 1401 K HN 0.375 nan 8.250 nan 0.000 0.442 1402 R N 0.162 120.428 120.500 -0.391 0.000 2.091 1402 R HA -0.185 4.155 4.340 -0.000 0.000 0.238 1402 R C 1.654 177.879 176.300 -0.126 0.000 1.136 1402 R CA 1.658 57.588 56.100 -0.282 0.000 0.959 1402 R CB -0.228 29.810 30.300 -0.438 0.000 0.856 1402 R HN 0.208 nan 8.270 nan 0.000 0.437 1403 Y N -0.091 120.126 120.300 -0.138 0.000 2.365 1403 Y HA 0.025 4.575 4.550 -0.000 0.000 0.293 1403 Y C 2.050 177.724 175.900 -0.377 0.000 1.119 1403 Y CA 0.852 58.799 58.100 -0.254 0.000 1.203 1403 Y CB -0.047 38.174 38.460 -0.399 0.000 1.026 1403 Y HN 0.074 nan 8.280 nan 0.000 0.549 1404 I N -0.349 120.180 120.570 -0.068 0.000 2.361 1404 I HA -0.281 3.889 4.170 -0.000 0.000 0.251 1404 I C 2.325 178.212 176.117 -0.382 0.000 1.133 1404 I CA 1.250 62.405 61.300 -0.242 0.000 1.413 1404 I CB -0.129 37.981 38.000 0.183 0.000 1.073 1404 I HN 0.177 nan 8.210 nan 0.000 0.424 1405 A N 0.635 123.381 122.820 -0.124 0.000 2.019 1405 A HA -0.239 4.081 4.320 -0.000 0.000 0.219 1405 A C 2.195 179.698 177.584 -0.135 0.000 1.164 1405 A CA 1.673 53.656 52.037 -0.089 0.000 0.644 1405 A CB -0.490 18.500 19.000 -0.015 0.000 0.805 1405 A HN 0.461 nan 8.150 nan 0.000 0.449 1406 K N -1.264 119.045 120.400 -0.150 0.000 2.209 1406 K HA -0.141 4.179 4.320 -0.000 0.000 0.204 1406 K C 1.167 177.776 176.600 0.016 0.000 1.048 1406 K CA 1.660 57.912 56.287 -0.058 0.000 0.940 1406 K CB -0.267 32.212 32.500 -0.035 0.000 0.729 1406 K HN 0.910 nan 8.250 nan 0.000 0.451 1407 Y N -1.148 119.150 120.300 -0.003 0.000 2.584 1407 Y HA 0.286 4.836 4.550 -0.000 0.000 0.254 1407 Y C 1.101 177.045 175.900 0.074 0.000 1.177 1407 Y CA -0.207 57.907 58.100 0.025 0.000 1.216 1407 Y CB -0.299 38.158 38.460 -0.005 0.000 1.172 1407 Y HN -0.042 nan 8.280 nan 0.000 0.529 1408 T N -2.926 111.586 114.554 -0.070 0.000 3.216 1408 T HA 0.127 4.477 4.350 -0.000 0.000 0.167 1408 T C 1.300 176.028 174.700 0.046 0.000 0.905 1408 T CA 0.591 62.707 62.100 0.026 0.000 1.042 1408 T CB -0.790 68.081 68.868 0.005 0.000 1.787 1408 T HN 0.079 nan 8.240 nan 0.000 0.355 1409 I N 3.182 123.768 120.570 0.026 0.000 2.226 1409 I HA -0.044 4.126 4.170 -0.000 0.000 0.245 1409 I C 1.883 177.976 176.117 -0.040 0.000 1.100 1409 I CA 1.362 62.665 61.300 0.005 0.000 1.374 1409 I CB -0.806 37.162 38.000 -0.053 0.000 1.057 1409 I HN 0.293 nan 8.210 nan 0.000 0.413 1410 N N 0.610 119.274 118.700 -0.061 0.000 2.142 1410 N HA -0.084 4.656 4.740 -0.000 0.000 0.186 1410 N C -0.775 174.706 175.510 -0.048 0.000 1.023 1410 N CA 1.550 54.558 53.050 -0.070 0.000 0.852 1410 N CB -1.838 36.602 38.487 -0.078 0.000 0.998 1410 N HN 0.322 nan 8.380 nan 0.000 0.424 1411 P HA 0.016 nan 4.420 nan 0.000 0.217 1411 P C 1.167 178.507 177.300 0.066 0.000 1.151 1411 P CA 1.309 64.443 63.100 0.057 0.000 0.828 1411 P CB -0.013 31.750 31.700 0.105 0.000 0.788 1412 A N -0.443 122.400 122.820 0.038 0.000 1.883 1412 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 1412 A C 2.189 179.771 177.584 -0.003 0.000 1.186 1412 A CA 1.603 53.651 52.037 0.018 0.000 0.624 1412 A CB -1.705 17.312 19.000 0.029 0.000 0.822 1412 A HN 0.111 nan 8.150 nan 0.000 0.444 1413 L N -0.888 120.321 121.223 -0.023 0.000 2.056 1413 L HA -0.137 4.203 4.340 -0.000 0.000 0.207 1413 L C 2.762 179.582 176.870 -0.083 0.000 1.078 1413 L CA 1.672 56.486 54.840 -0.044 0.000 0.749 1413 L CB -0.833 41.185 42.059 -0.067 0.000 0.901 1413 L HN 0.344 nan 8.230 nan 0.000 0.433 1414 T N -2.030 112.454 114.554 -0.117 0.000 2.803 1414 T HA -0.189 4.161 4.350 -0.000 0.000 0.269 1414 T C 1.424 175.903 174.700 -0.367 0.000 1.052 1414 T CA 1.175 63.127 62.100 -0.247 0.000 1.136 1414 T CB -0.255 68.407 68.868 -0.342 0.000 0.864 1414 T HN 0.371 nan 8.240 nan 0.000 0.467 1415 H N -0.274 118.756 119.070 -0.066 0.000 2.520 1415 H HA 0.348 4.904 4.556 -0.000 0.000 0.284 1415 H C 1.661 176.940 175.328 -0.082 0.000 1.037 1415 H CA 0.300 56.312 56.048 -0.060 0.000 1.168 1415 H CB 0.107 29.840 29.762 -0.047 0.000 1.497 1415 H HN 0.484 nan 8.280 nan 0.000 0.547 1416 G N 2.423 111.209 108.800 -0.023 0.000 2.249 1416 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.273 1416 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.273 1416 G C 0.832 175.783 174.900 0.085 0.000 1.036 1416 G CA 0.761 45.874 45.100 0.023 0.000 0.824 1416 G HN 0.646 nan 8.290 nan 0.000 0.504 1417 I N -4.231 116.324 120.570 -0.025 0.000 4.102 1417 I HA 0.674 4.844 4.170 -0.000 0.000 0.325 1417 I C 1.706 177.753 176.117 -0.117 0.000 1.471 1417 I CA 0.312 61.497 61.300 -0.192 0.000 1.133 1417 I CB 0.331 37.939 38.000 -0.653 0.000 1.184 1417 I HN 0.114 nan 8.210 nan 0.000 0.451 1418 A N 1.958 124.800 122.820 0.037 0.000 2.172 1418 A HA -0.161 4.159 4.320 -0.000 0.000 0.216 1418 A C 2.189 179.826 177.584 0.088 0.000 1.154 1418 A CA 1.535 53.603 52.037 0.052 0.000 0.701 1418 A CB -1.090 17.943 19.000 0.056 0.000 0.789 1418 A HN 0.780 nan 8.150 nan 0.000 0.465 1419 H N -1.465 117.637 119.070 0.053 0.000 2.502 1419 H HA 0.087 4.643 4.556 -0.000 0.000 0.283 1419 H C 0.999 176.385 175.328 0.097 0.000 1.015 1419 H CA 1.231 57.318 56.048 0.065 0.000 1.298 1419 H CB -0.035 29.759 29.762 0.054 0.000 1.411 1419 H HN 0.499 nan 8.280 nan 0.000 0.556 1420 E N 1.192 121.222 120.200 -0.284 0.000 2.244 1420 E HA 0.138 4.488 4.350 -0.000 0.000 0.196 1420 E C 1.203 177.828 176.600 0.041 0.000 0.939 1420 E CA 0.729 57.071 56.400 -0.098 0.000 0.884 1420 E CB 1.132 30.790 29.700 -0.071 0.000 0.850 1420 E HN 0.400 nan 8.360 nan 0.000 0.481 1421 V N -4.765 115.184 119.914 0.059 0.000 3.105 1421 V HA 0.848 4.968 4.120 -0.000 0.000 0.311 1421 V C 0.792 176.952 176.094 0.110 0.000 1.287 1421 V CA -0.231 62.138 62.300 0.115 0.000 1.066 1421 V CB 1.255 33.181 31.823 0.173 0.000 1.105 1421 V HN 0.271 nan 8.190 nan 0.000 0.462 1422 G N -0.037 108.846 108.800 0.138 0.000 2.218 1422 G HA2 0.096 4.056 3.960 -0.000 0.000 0.216 1422 G HA3 0.096 4.056 3.960 -0.000 0.000 0.216 1422 G C 0.239 175.252 174.900 0.188 0.000 0.994 1422 G CA 0.604 45.788 45.100 0.141 0.000 0.637 1422 G HN 2.476 nan 8.290 nan 0.000 0.505 1423 S N -1.226 114.601 115.700 0.212 0.000 2.615 1423 S HA 0.636 5.106 4.470 -0.000 0.000 0.268 1423 S C -0.804 173.954 174.600 0.263 0.000 1.146 1423 S CA -0.687 57.678 58.200 0.275 0.000 0.818 1423 S CB 1.134 64.574 63.200 0.399 0.000 1.111 1423 S HN 0.815 nan 8.310 nan 0.000 0.465 1424 I N 1.575 122.340 120.570 0.325 0.000 2.256 1424 I HA 0.414 4.584 4.170 -0.000 0.000 0.294 1424 I C -0.115 176.205 176.117 0.338 0.000 1.127 1424 I CA 0.190 61.683 61.300 0.320 0.000 1.247 1424 I CB -0.085 38.114 38.000 0.331 0.000 1.460 1424 I HN 0.564 nan 8.210 nan 0.000 0.511 1425 E N 4.054 124.364 120.200 0.185 0.000 2.356 1425 E HA 0.371 4.721 4.350 -0.000 0.000 0.275 1425 E C -1.001 175.619 176.600 0.033 0.000 0.904 1425 E CA -1.002 55.431 56.400 0.054 0.000 0.757 1425 E CB 3.118 32.848 29.700 0.050 0.000 1.232 1425 E HN 0.090 nan 8.360 nan 0.000 0.442 1426 V N 1.973 121.867 119.914 -0.033 0.000 2.617 1426 V HA 0.146 4.266 4.120 -0.000 0.000 0.304 1426 V C 1.398 177.484 176.094 -0.013 0.000 1.040 1426 V CA 2.055 64.328 62.300 -0.045 0.000 1.149 1426 V CB 0.291 32.039 31.823 -0.125 0.000 0.914 1426 V HN 1.108 nan 8.190 nan 0.000 0.487 1427 G N 3.926 112.732 108.800 0.010 0.000 2.241 1427 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.244 1427 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.244 1427 G C 0.348 175.284 174.900 0.060 0.000 0.998 1427 G CA 0.155 45.275 45.100 0.033 0.000 0.621 1427 G HN 0.590 nan 8.290 nan 0.000 0.519 1428 K N 0.003 120.444 120.400 0.068 0.000 2.107 1428 K HA 0.561 4.881 4.320 -0.000 0.000 0.251 1428 K C 0.340 176.990 176.600 0.083 0.000 1.012 1428 K CA -0.877 55.457 56.287 0.079 0.000 0.920 1428 K CB 1.308 33.865 32.500 0.095 0.000 1.033 1428 K HN 0.164 nan 8.250 nan 0.000 0.478 1429 L N 1.543 122.812 121.223 0.078 0.000 2.525 1429 L HA -0.032 4.308 4.340 -0.000 0.000 0.278 1429 L C -0.168 176.757 176.870 0.093 0.000 1.218 1429 L CA 0.759 55.644 54.840 0.075 0.000 0.878 1429 L CB 0.418 42.513 42.059 0.059 0.000 1.127 1429 L HN 0.718 nan 8.230 nan 0.000 0.492 1430 A N 4.117 126.992 122.820 0.090 0.000 3.004 1430 A HA 0.275 4.595 4.320 -0.000 0.000 0.286 1430 A C -0.550 177.090 177.584 0.093 0.000 1.632 1430 A CA -0.496 51.600 52.037 0.099 0.000 1.339 1430 A CB -0.929 18.128 19.000 0.096 0.000 1.136 1430 A HN 0.685 nan 8.150 nan 0.000 0.577 1431 D N 1.559 122.022 120.400 0.104 0.000 2.392 1431 D HA 0.602 5.242 4.640 -0.000 0.000 0.228 1431 D C -0.424 175.946 176.300 0.117 0.000 1.074 1431 D CA 0.397 54.459 54.000 0.103 0.000 0.838 1431 D CB 1.104 41.974 40.800 0.117 0.000 1.067 1431 D HN 0.403 nan 8.370 nan 0.000 0.511 1432 L N 1.221 122.502 121.223 0.096 0.000 2.393 1432 L HA 0.627 4.967 4.340 -0.000 0.000 0.260 1432 L C -0.838 176.061 176.870 0.047 0.000 1.002 1432 L CA -1.166 53.736 54.840 0.104 0.000 0.818 1432 L CB 2.556 44.675 42.059 0.100 0.000 1.369 1432 L HN -0.064 nan 8.230 nan 0.000 0.412 1433 V N 2.071 122.011 119.914 0.043 0.000 2.531 1433 V HA 0.436 4.556 4.120 -0.000 0.000 0.301 1433 V C -0.406 175.565 176.094 -0.206 0.000 1.034 1433 V CA -0.680 61.520 62.300 -0.167 0.000 0.865 1433 V CB 2.213 33.891 31.823 -0.243 0.000 0.995 1433 V HN 0.398 nan 8.190 nan 0.000 0.424 1434 V N 4.046 123.788 119.914 -0.286 0.000 2.394 1434 V HA 0.495 4.614 4.120 -0.000 0.000 0.282 1434 V C -0.905 175.056 176.094 -0.222 0.000 1.031 1434 V CA -0.480 61.750 62.300 -0.116 0.000 0.881 1434 V CB 1.304 33.106 31.823 -0.035 0.000 0.982 1434 V HN 0.903 nan 8.190 nan 0.000 0.451 1435 W N 1.920 123.297 121.300 0.130 0.000 2.702 1435 W HA 0.601 5.261 4.660 -0.000 0.000 0.331 1435 W C 0.277 176.885 176.519 0.149 0.000 1.049 1435 W CA -0.526 56.908 57.345 0.149 0.000 1.230 1435 W CB 1.624 31.232 29.460 0.247 0.000 1.408 1435 W HN 0.365 nan 8.180 nan 0.000 0.492 1436 S N 3.306 119.244 115.700 0.398 0.000 2.523 1436 S HA 0.109 4.579 4.470 -0.000 0.000 0.275 1436 S C -1.512 173.298 174.600 0.351 0.000 1.281 1436 S CA -0.807 57.582 58.200 0.316 0.000 1.050 1436 S CB 1.163 64.568 63.200 0.342 0.000 0.937 1436 S HN 0.264 nan 8.310 nan 0.000 0.492 1437 P HA -0.175 nan 4.420 nan 0.000 0.217 1437 P C 1.122 178.458 177.300 0.060 0.000 1.148 1437 P CA 1.183 64.336 63.100 0.088 0.000 0.834 1437 P CB 0.089 31.779 31.700 -0.017 0.000 0.783 1438 A N -2.238 120.640 122.820 0.096 0.000 2.067 1438 A HA -0.075 4.245 4.320 -0.000 0.000 0.219 1438 A C 1.381 178.816 177.584 -0.248 0.000 1.158 1438 A CA 1.160 53.145 52.037 -0.087 0.000 0.661 1438 A CB -1.290 17.625 19.000 -0.141 0.000 0.801 1438 A HN 0.187 nan 8.150 nan 0.000 0.452 1439 F N -2.251 117.775 119.950 0.126 0.000 2.683 1439 F HA 0.320 4.847 4.527 -0.000 0.000 0.306 1439 F C 0.322 176.130 175.800 0.013 0.000 1.102 1439 F CA -1.147 56.881 58.000 0.047 0.000 1.244 1439 F CB 0.065 39.154 39.000 0.148 0.000 1.029 1439 F HN 0.166 nan 8.300 nan 0.000 0.545 1440 F N 1.494 121.411 119.950 -0.055 0.000 2.623 1440 F HA 0.324 4.851 4.527 -0.000 0.000 0.383 1440 F C 1.358 176.761 175.800 -0.661 0.000 1.077 1440 F CA 1.062 58.816 58.000 -0.411 0.000 1.268 1440 F CB 0.439 39.116 39.000 -0.538 0.000 1.053 1440 F HN 0.319 nan 8.300 nan 0.000 0.571 1441 G N 3.243 110.676 108.800 -2.278 0.000 2.245 1441 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.264 1441 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.264 1441 G C 0.647 175.294 174.900 -0.423 0.000 0.985 1441 G CA 0.948 45.171 45.100 -1.461 0.000 0.625 1441 G HN 1.539 nan 8.290 nan 0.000 0.536 1442 V N -3.865 115.951 119.914 -0.163 0.000 3.013 1442 V HA 0.588 4.708 4.120 -0.000 0.000 0.238 1442 V C 0.729 176.964 176.094 0.235 0.000 1.161 1442 V CA 1.442 63.752 62.300 0.018 0.000 1.170 1442 V CB 0.264 31.870 31.823 -0.361 0.000 0.917 1442 V HN 0.230 nan 8.190 nan 0.000 0.478 1443 K N 2.647 123.259 120.400 0.354 0.000 2.690 1443 K HA 0.496 4.816 4.320 -0.000 0.000 0.243 1443 K C -3.011 173.777 176.600 0.314 0.000 0.982 1443 K CA -1.498 54.993 56.287 0.339 0.000 0.955 1443 K CB 2.664 35.349 32.500 0.308 0.000 1.185 1443 K HN 0.278 nan 8.250 nan 0.000 0.467 1444 P HA 0.121 nan 4.420 nan 0.000 0.276 1444 P C -0.007 177.242 177.300 -0.085 0.000 1.244 1444 P CA -0.304 62.603 63.100 -0.321 0.000 0.801 1444 P CB 1.483 32.526 31.700 -1.095 0.000 1.006 1445 A N 1.573 124.314 122.820 -0.133 0.000 1.970 1445 A HA 0.137 4.457 4.320 -0.000 0.000 0.216 1445 A C 0.594 178.115 177.584 -0.106 0.000 1.170 1445 A CA 1.360 53.337 52.037 -0.100 0.000 0.645 1445 A CB -0.608 18.364 19.000 -0.046 0.000 0.816 1445 A HN 0.621 nan 8.150 nan 0.000 0.447 1446 T N -0.848 113.621 114.554 -0.143 0.000 3.193 1446 T HA 0.475 4.825 4.350 -0.000 0.000 0.332 1446 T C -1.313 173.306 174.700 -0.134 0.000 1.208 1446 T CA -0.442 61.599 62.100 -0.097 0.000 1.080 1446 T CB 1.865 70.697 68.868 -0.060 0.000 1.180 1446 T HN 0.016 nan 8.240 nan 0.000 0.469 1447 V N 4.010 123.877 119.914 -0.077 0.000 2.350 1447 V HA 0.514 4.634 4.120 -0.000 0.000 0.285 1447 V C -0.297 175.787 176.094 -0.017 0.000 1.014 1447 V CA -0.705 61.552 62.300 -0.071 0.000 0.831 1447 V CB 1.005 32.786 31.823 -0.069 0.000 1.000 1447 V HN 0.785 nan 8.190 nan 0.000 0.433 1448 I N 5.409 125.979 120.570 -0.001 0.000 2.359 1448 I HA 0.475 4.645 4.170 -0.000 0.000 0.294 1448 I C 0.105 176.249 176.117 0.044 0.000 0.987 1448 I CA -0.443 60.873 61.300 0.027 0.000 1.225 1448 I CB 1.326 39.347 38.000 0.034 0.000 1.366 1448 I HN 0.306 nan 8.210 nan 0.000 0.466 1449 K N 4.402 124.831 120.400 0.049 0.000 2.394 1449 K HA 0.355 4.675 4.320 -0.000 0.000 0.260 1449 K C 0.374 177.011 176.600 0.062 0.000 0.967 1449 K CA -0.429 55.891 56.287 0.056 0.000 0.855 1449 K CB 1.563 34.093 32.500 0.050 0.000 1.101 1449 K HN 0.845 nan 8.250 nan 0.000 0.433 1450 G N 2.055 110.893 108.800 0.064 0.000 2.390 1450 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.299 1450 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.299 1450 G C 0.828 175.776 174.900 0.081 0.000 1.002 1450 G CA 1.354 46.496 45.100 0.069 0.000 0.979 1450 G HN 1.072 nan 8.290 nan 0.000 0.513 1451 G N -1.958 106.886 108.800 0.072 0.000 2.217 1451 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.246 1451 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.246 1451 G C 0.385 175.315 174.900 0.050 0.000 0.990 1451 G CA 0.838 45.977 45.100 0.064 0.000 0.627 1451 G HN 1.007 nan 8.290 nan 0.000 0.522 1452 M N 0.545 120.179 119.600 0.057 0.000 2.508 1452 M HA 0.561 5.041 4.480 -0.000 0.000 0.327 1452 M C 0.339 176.671 176.300 0.054 0.000 1.160 1452 M CA -0.867 54.464 55.300 0.053 0.000 0.980 1452 M CB 2.043 34.683 32.600 0.066 0.000 1.693 1452 M HN 0.049 nan 8.290 nan 0.000 0.452 1453 I N 1.598 122.201 120.570 0.055 0.000 2.533 1453 I HA 0.043 4.213 4.170 -0.000 0.000 0.284 1453 I C 0.875 177.023 176.117 0.051 0.000 1.109 1453 I CA 0.134 61.460 61.300 0.044 0.000 1.412 1453 I CB 1.144 39.170 38.000 0.043 0.000 1.396 1453 I HN 0.890 nan 8.210 nan 0.000 0.543 1454 A N 7.186 130.025 122.820 0.032 0.000 2.085 1454 A HA 0.408 4.727 4.320 -0.000 0.000 0.208 1454 A C 0.599 178.189 177.584 0.009 0.000 1.191 1454 A CA 0.505 52.557 52.037 0.024 0.000 0.799 1454 A CB 0.439 19.457 19.000 0.029 0.000 0.877 1454 A HN 0.647 nan 8.150 nan 0.000 0.473 1455 I N -2.051 118.529 120.570 0.016 0.000 2.842 1455 I HA 0.612 4.782 4.170 -0.000 0.000 0.297 1455 I C -1.401 174.755 176.117 0.065 0.000 1.380 1455 I CA -0.486 60.838 61.300 0.040 0.000 1.018 1455 I CB 2.183 40.219 38.000 0.060 0.000 1.311 1455 I HN 0.253 nan 8.210 nan 0.000 0.439 1456 A N 5.679 128.544 122.820 0.074 0.000 2.601 1456 A HA 0.828 5.148 4.320 -0.000 0.000 0.291 1456 A C -3.105 174.362 177.584 -0.196 0.000 1.075 1456 A CA -1.180 50.856 52.037 -0.002 0.000 0.671 1456 A CB 1.563 20.525 19.000 -0.063 0.000 1.277 1456 A HN 0.307 nan 8.150 nan 0.000 0.417 1457 P HA 0.508 nan 4.420 nan 0.000 0.271 1457 P C -0.753 176.318 177.300 -0.381 0.000 1.216 1457 P CA 0.089 62.754 63.100 -0.724 0.000 0.776 1457 P CB 0.573 31.869 31.700 -0.674 0.000 0.881 1458 M N 2.648 122.030 119.600 -0.363 0.000 2.271 1458 M HA 0.587 5.067 4.480 -0.000 0.000 0.285 1458 M C -0.296 175.837 176.300 -0.280 0.000 1.059 1458 M CA -0.402 54.733 55.300 -0.275 0.000 0.940 1458 M CB 1.449 33.901 32.600 -0.247 0.000 1.636 1458 M HN 0.405 nan 8.290 nan 0.000 0.460 1459 G N 1.418 110.109 108.800 -0.182 0.000 2.535 1459 G HA2 0.264 4.224 3.960 -0.000 0.000 0.282 1459 G HA3 0.264 4.224 3.960 -0.000 0.000 0.282 1459 G C -0.885 173.949 174.900 -0.110 0.000 1.350 1459 G CA -0.555 44.467 45.100 -0.131 0.000 1.039 1459 G HN 0.782 nan 8.290 nan 0.000 0.509 1460 D N -0.130 120.233 120.400 -0.061 0.000 2.662 1460 D HA -0.103 4.537 4.640 -0.000 0.000 0.237 1460 D C 1.766 178.041 176.300 -0.041 0.000 1.154 1460 D CA -0.322 53.657 54.000 -0.035 0.000 0.861 1460 D CB 0.215 41.005 40.800 -0.017 0.000 1.146 1460 D HN 0.042 nan 8.370 nan 0.000 0.518 1461 I N 3.732 124.277 120.570 -0.041 0.000 2.335 1461 I HA -0.235 3.935 4.170 -0.000 0.000 0.251 1461 I C 1.864 177.970 176.117 -0.020 0.000 1.129 1461 I CA 1.022 62.300 61.300 -0.037 0.000 1.402 1461 I CB -1.255 36.725 38.000 -0.034 0.000 1.069 1461 I HN 0.466 nan 8.210 nan 0.000 0.424 1462 N N 0.840 119.533 118.700 -0.012 0.000 2.398 1462 N HA 0.111 4.851 4.740 -0.000 0.000 0.188 1462 N C 0.654 176.160 175.510 -0.007 0.000 1.122 1462 N CA 0.220 53.267 53.050 -0.006 0.000 0.866 1462 N CB 0.209 38.695 38.487 -0.002 0.000 0.970 1462 N HN 0.306 nan 8.380 nan 0.000 0.462 1463 A N -0.539 122.274 122.820 -0.012 0.000 2.346 1463 A HA 0.275 4.594 4.320 -0.000 0.000 0.252 1463 A C 1.431 179.010 177.584 -0.009 0.000 1.089 1463 A CA 0.198 52.228 52.037 -0.011 0.000 0.797 1463 A CB 0.054 19.045 19.000 -0.016 0.000 1.047 1463 A HN 0.437 nan 8.150 nan 0.000 0.494 1464 S N -0.155 115.540 115.700 -0.008 0.000 2.453 1464 S HA 0.100 4.570 4.470 -0.000 0.000 0.231 1464 S C 0.610 175.206 174.600 -0.007 0.000 1.005 1464 S CA 1.060 59.256 58.200 -0.006 0.000 0.949 1464 S CB -0.964 62.233 63.200 -0.005 0.000 0.774 1464 S HN 0.868 nan 8.310 nan 0.000 0.510 1465 I N -3.465 117.098 120.570 -0.011 0.000 3.191 1465 I HA 0.493 4.663 4.170 -0.000 0.000 0.313 1465 I C -2.626 173.477 176.117 -0.024 0.000 1.193 1465 I CA -2.813 58.479 61.300 -0.013 0.000 0.968 1465 I CB 1.759 39.751 38.000 -0.013 0.000 1.262 1465 I HN -0.358 nan 8.210 nan 0.000 0.456 1466 P HA 0.042 nan 4.420 nan 0.000 0.255 1466 P C 0.984 178.245 177.300 -0.066 0.000 1.248 1466 P CA 0.636 63.707 63.100 -0.048 0.000 0.807 1466 P CB 0.101 31.774 31.700 -0.046 0.000 1.150 1467 T N -4.529 109.994 114.554 -0.053 0.000 3.051 1467 T HA 0.219 4.569 4.350 -0.000 0.000 0.255 1467 T C -1.579 173.091 174.700 -0.051 0.000 1.085 1467 T CA -0.398 61.667 62.100 -0.059 0.000 1.109 1467 T CB -1.795 67.044 68.868 -0.048 0.000 0.921 1467 T HN 0.095 nan 8.240 nan 0.000 0.488 1468 P HA 0.281 nan 4.420 nan 0.000 0.272 1468 P C 0.032 177.315 177.300 -0.029 0.000 1.230 1468 P CA -0.346 62.737 63.100 -0.028 0.000 0.788 1468 P CB 0.403 32.091 31.700 -0.019 0.000 0.949 1469 Q N 1.918 121.709 119.800 -0.016 0.000 2.417 1469 Q HA 0.239 4.579 4.340 -0.000 0.000 0.241 1469 Q C -1.920 174.089 176.000 0.015 0.000 1.008 1469 Q CA -1.327 54.475 55.803 -0.002 0.000 0.901 1469 Q CB -0.651 28.089 28.738 0.002 0.000 1.259 1469 Q HN 0.378 nan 8.270 nan 0.000 0.489 1470 P HA 0.213 nan 4.420 nan 0.000 0.285 1470 P C -0.851 176.496 177.300 0.079 0.000 1.259 1470 P CA -0.356 62.799 63.100 0.091 0.000 0.794 1470 P CB 0.883 32.680 31.700 0.161 0.000 0.940 1471 V N 5.080 125.013 119.914 0.031 0.000 2.370 1471 V HA 0.390 4.510 4.120 -0.000 0.000 0.279 1471 V C 0.165 176.255 176.094 -0.006 0.000 1.029 1471 V CA -0.107 62.146 62.300 -0.078 0.000 0.870 1471 V CB 0.268 32.013 31.823 -0.130 0.000 0.984 1471 V HN 0.890 nan 8.190 nan 0.000 0.451 1472 H N 2.053 121.039 119.070 -0.140 0.000 3.017 1472 H HA 0.615 5.171 4.556 -0.000 0.000 0.346 1472 H C -1.558 173.675 175.328 -0.158 0.000 1.286 1472 H CA -1.119 54.867 56.048 -0.103 0.000 1.120 1472 H CB 0.748 30.521 29.762 0.018 0.000 1.860 1472 H HN 0.372 nan 8.280 nan 0.000 0.542 1473 Y N 1.201 121.556 120.300 0.091 0.000 2.544 1473 Y HA 0.260 4.810 4.550 -0.000 0.000 0.330 1473 Y C 0.585 176.486 175.900 0.001 0.000 1.136 1473 Y CA 0.298 58.404 58.100 0.010 0.000 1.417 1473 Y CB 0.525 39.002 38.460 0.028 0.000 1.229 1473 Y HN 0.341 nan 8.280 nan 0.000 0.532 1474 R N 4.833 125.349 120.500 0.027 0.000 2.686 1474 R HA 0.400 4.740 4.340 -0.000 0.000 0.283 1474 R C -2.894 173.390 176.300 -0.027 0.000 0.978 1474 R CA -2.303 53.783 56.100 -0.022 0.000 0.897 1474 R CB 1.760 31.976 30.300 -0.140 0.000 1.192 1474 R HN 0.345 nan 8.270 nan 0.000 0.457 1475 P HA 0.062 nan 4.420 nan 0.000 0.271 1475 P C -0.501 176.713 177.300 -0.143 0.000 1.216 1475 P CA 0.091 63.157 63.100 -0.057 0.000 0.776 1475 P CB 0.761 32.430 31.700 -0.051 0.000 0.881 1476 M N 1.583 121.099 119.600 -0.139 0.000 2.734 1476 M HA 0.306 4.786 4.480 -0.000 0.000 0.264 1476 M C 1.643 177.802 176.300 -0.236 0.000 1.080 1476 M CA -0.743 54.415 55.300 -0.238 0.000 0.981 1476 M CB -0.506 32.043 32.600 -0.084 0.000 1.514 1476 M HN 0.156 nan 8.290 nan 0.000 0.569 1477 F N 0.602 120.537 119.950 -0.025 0.000 2.202 1477 F HA -0.050 4.477 4.527 -0.000 0.000 0.301 1477 F C 2.257 178.042 175.800 -0.025 0.000 1.082 1477 F CA 1.407 59.390 58.000 -0.028 0.000 1.313 1477 F CB -1.035 37.946 39.000 -0.033 0.000 1.024 1477 F HN 0.734 nan 8.300 nan 0.000 0.495 1478 G N -0.659 108.219 108.800 0.130 0.000 2.679 1478 G HA2 0.078 4.038 3.960 -0.000 0.000 0.212 1478 G HA3 0.078 4.038 3.960 -0.000 0.000 0.212 1478 G C 1.514 176.437 174.900 0.038 0.000 1.137 1478 G CA 0.567 45.715 45.100 0.079 0.000 0.787 1478 G HN 0.429 nan 8.290 nan 0.000 0.534 1479 A N -0.246 122.579 122.820 0.009 0.000 2.348 1479 A HA 0.570 4.890 4.320 -0.000 0.000 0.224 1479 A C 0.653 178.212 177.584 -0.041 0.000 1.227 1479 A CA -0.250 51.778 52.037 -0.015 0.000 0.885 1479 A CB 0.134 19.120 19.000 -0.024 0.000 0.933 1479 A HN 0.255 nan 8.150 nan 0.000 0.506 1480 L N -0.032 121.168 121.223 -0.038 0.000 2.272 1480 L HA 0.491 4.831 4.340 -0.000 0.000 0.289 1480 L C 1.567 178.372 176.870 -0.108 0.000 1.032 1480 L CA -0.163 54.642 54.840 -0.058 0.000 0.810 1480 L CB 1.047 43.102 42.059 -0.007 0.000 1.205 1480 L HN 0.519 nan 8.230 nan 0.000 0.422 1481 G N 2.839 111.533 108.800 -0.176 0.000 2.686 1481 G HA2 -0.460 3.500 3.960 -0.000 0.000 0.359 1481 G HA3 -0.460 3.500 3.960 -0.000 0.000 0.359 1481 G C 1.134 175.693 174.900 -0.569 0.000 1.222 1481 G CA 1.108 46.016 45.100 -0.321 0.000 0.956 1481 G HN 0.794 nan 8.290 nan 0.000 0.565 1482 S N 0.376 115.898 115.700 -0.296 0.000 2.481 1482 S HA 0.329 4.799 4.470 -0.000 0.000 0.231 1482 S C 2.488 177.080 174.600 -0.012 0.000 0.996 1482 S CA 1.517 59.638 58.200 -0.133 0.000 0.942 1482 S CB -0.217 63.011 63.200 0.046 0.000 0.768 1482 S HN 1.704 nan 8.310 nan 0.000 0.520 1483 A N 2.569 125.373 122.820 -0.027 0.000 1.929 1483 A HA 0.059 4.379 4.320 -0.000 0.000 0.216 1483 A C 2.282 179.900 177.584 0.057 0.000 1.176 1483 A CA 1.144 53.202 52.037 0.035 0.000 0.628 1483 A CB -0.643 18.379 19.000 0.037 0.000 0.816 1483 A HN 0.543 nan 8.150 nan 0.000 0.444 1484 R N -0.733 119.750 120.500 -0.029 0.000 2.073 1484 R HA -0.193 4.146 4.340 -0.000 0.000 0.234 1484 R C 1.940 178.284 176.300 0.074 0.000 1.134 1484 R CA 1.959 58.055 56.100 -0.008 0.000 0.952 1484 R CB -0.590 29.668 30.300 -0.071 0.000 0.850 1484 R HN 0.764 nan 8.270 nan 0.000 0.433 1485 H N -1.953 117.137 119.070 0.035 0.000 2.387 1485 H HA -0.176 4.379 4.556 -0.000 0.000 0.299 1485 H C 1.976 177.307 175.328 0.004 0.000 1.099 1485 H CA 1.461 57.513 56.048 0.007 0.000 1.315 1485 H CB -0.073 29.698 29.762 0.015 0.000 1.380 1485 H HN 0.443 nan 8.280 nan 0.000 0.513 1486 H N -0.615 118.518 119.070 0.105 0.000 2.462 1486 H HA -0.033 4.523 4.556 -0.000 0.000 0.292 1486 H C 1.445 176.790 175.328 0.029 0.000 1.049 1486 H CA 1.276 57.354 56.048 0.051 0.000 1.334 1486 H CB 0.154 29.938 29.762 0.037 0.000 1.404 1486 H HN 0.296 nan 8.280 nan 0.000 0.544 1487 C N 1.451 120.823 119.300 0.120 0.000 2.906 1487 C HA 0.266 4.726 4.460 -0.000 0.000 0.274 1487 C C 0.711 175.714 174.990 0.022 0.000 1.257 1487 C CA -0.299 58.765 59.018 0.077 0.000 1.695 1487 C CB -1.224 26.578 27.740 0.103 0.000 1.958 1487 C HN 0.511 nan 8.230 nan 0.000 0.619 1488 R N 0.052 120.547 120.500 -0.008 0.000 2.892 1488 R HA 0.821 5.161 4.340 -0.000 0.000 0.265 1488 R C -1.519 174.701 176.300 -0.133 0.000 1.025 1488 R CA -0.681 55.393 56.100 -0.045 0.000 0.982 1488 R CB 0.947 31.239 30.300 -0.012 0.000 1.185 1488 R HN 0.089 nan 8.270 nan 0.000 0.484 1489 L N 0.776 121.859 121.223 -0.233 0.000 2.346 1489 L HA 0.452 4.792 4.340 -0.000 0.000 0.274 1489 L C -0.472 176.131 176.870 -0.445 0.000 1.007 1489 L CA -0.949 53.648 54.840 -0.405 0.000 0.818 1489 L CB 2.572 44.185 42.059 -0.743 0.000 1.284 1489 L HN 0.719 nan 8.230 nan 0.000 0.424 1490 T N 2.357 116.703 114.554 -0.347 0.000 2.749 1490 T HA 0.488 4.838 4.350 -0.000 0.000 0.287 1490 T C -0.423 174.124 174.700 -0.256 0.000 0.970 1490 T CA -0.205 61.750 62.100 -0.242 0.000 0.980 1490 T CB 0.201 68.989 68.868 -0.134 0.000 0.924 1490 T HN 0.106 nan 8.240 nan 0.000 0.456 1491 F N 3.685 123.648 119.950 0.022 0.000 2.410 1491 F HA 0.504 5.030 4.527 -0.000 0.000 0.348 1491 F C 0.461 176.284 175.800 0.037 0.000 1.106 1491 F CA -0.767 57.257 58.000 0.040 0.000 1.163 1491 F CB 0.570 39.607 39.000 0.062 0.000 1.129 1491 F HN 0.189 nan 8.300 nan 0.000 0.516 1492 L N 1.769 123.130 121.223 0.229 0.000 2.279 1492 L HA 0.514 4.854 4.340 -0.000 0.000 0.262 1492 L C -0.017 176.929 176.870 0.126 0.000 1.019 1492 L CA -1.113 53.806 54.840 0.132 0.000 0.823 1492 L CB 2.279 44.382 42.059 0.074 0.000 1.358 1492 L HN 0.634 nan 8.230 nan 0.000 0.432 1493 S N -0.650 115.101 115.700 0.084 0.000 2.600 1493 S HA 0.128 4.598 4.470 -0.000 0.000 0.265 1493 S C 0.536 175.168 174.600 0.053 0.000 1.325 1493 S CA -0.474 57.764 58.200 0.065 0.000 1.002 1493 S CB 1.120 64.346 63.200 0.044 0.000 0.921 1493 S HN 0.676 nan 8.310 nan 0.000 0.554 1494 Q N 0.740 120.564 119.800 0.040 0.000 2.124 1494 Q HA -0.081 4.259 4.340 -0.000 0.000 0.202 1494 Q C 2.502 178.514 176.000 0.020 0.000 0.977 1494 Q CA 1.524 57.343 55.803 0.028 0.000 0.850 1494 Q CB -0.602 28.144 28.738 0.014 0.000 0.901 1494 Q HN 0.910 nan 8.270 nan 0.000 0.429 1495 A N 1.040 123.871 122.820 0.017 0.000 1.877 1495 A HA -0.148 4.172 4.320 -0.000 0.000 0.216 1495 A C 2.292 179.883 177.584 0.012 0.000 1.186 1495 A CA 1.644 53.688 52.037 0.011 0.000 0.620 1495 A CB -0.886 18.119 19.000 0.009 0.000 0.822 1495 A HN 0.405 nan 8.150 nan 0.000 0.443 1496 A N -0.193 122.638 122.820 0.017 0.000 1.902 1496 A HA 0.171 4.491 4.320 -0.000 0.000 0.217 1496 A C 2.515 180.106 177.584 0.011 0.000 1.181 1496 A CA 2.110 54.155 52.037 0.013 0.000 0.623 1496 A CB -1.040 17.971 19.000 0.019 0.000 0.818 1496 A HN 1.053 nan 8.150 nan 0.000 0.443 1497 A N -0.026 122.806 122.820 0.019 0.000 1.877 1497 A HA 0.125 4.445 4.320 -0.000 0.000 0.216 1497 A C 2.506 180.096 177.584 0.009 0.000 1.186 1497 A CA 2.218 54.265 52.037 0.017 0.000 0.620 1497 A CB -1.096 17.922 19.000 0.030 0.000 0.822 1497 A HN 1.132 nan 8.150 nan 0.000 0.443 1498 A N -0.081 122.745 122.820 0.010 0.000 2.019 1498 A HA -0.144 4.176 4.320 -0.000 0.000 0.219 1498 A C 1.608 179.193 177.584 0.002 0.000 1.164 1498 A CA 1.706 53.746 52.037 0.005 0.000 0.644 1498 A CB -0.508 18.495 19.000 0.005 0.000 0.805 1498 A HN 0.546 nan 8.150 nan 0.000 0.449 1499 N N -0.643 118.057 118.700 0.001 0.000 2.398 1499 N HA 0.190 4.930 4.740 -0.000 0.000 0.188 1499 N C 0.997 176.504 175.510 -0.005 0.000 1.122 1499 N CA 0.886 53.935 53.050 -0.001 0.000 0.866 1499 N CB 0.101 38.588 38.487 -0.001 0.000 0.970 1499 N HN 0.586 nan 8.380 nan 0.000 0.462 1500 G N 0.427 109.224 108.800 -0.005 0.000 2.272 1500 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.280 1500 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.280 1500 G C 0.927 175.818 174.900 -0.016 0.000 1.067 1500 G CA 0.418 45.512 45.100 -0.010 0.000 0.902 1500 G HN 0.202 nan 8.290 nan 0.000 0.500 1501 V N -0.030 119.875 119.914 -0.015 0.000 2.407 1501 V HA -0.139 3.981 4.120 -0.000 0.000 0.248 1501 V C 3.198 179.271 176.094 -0.035 0.000 1.055 1501 V CA 3.033 65.319 62.300 -0.024 0.000 1.049 1501 V CB -0.850 30.962 31.823 -0.019 0.000 0.662 1501 V HN 1.008 nan 8.190 nan 0.000 0.455 1502 A N 0.149 122.949 122.820 -0.034 0.000 1.908 1502 A HA -0.261 4.059 4.320 -0.000 0.000 0.218 1502 A C 2.102 179.656 177.584 -0.051 0.000 1.181 1502 A CA 2.188 54.197 52.037 -0.047 0.000 0.627 1502 A CB -0.431 18.543 19.000 -0.043 0.000 0.818 1502 A HN 0.601 nan 8.150 nan 0.000 0.445 1503 E N -0.711 119.467 120.200 -0.038 0.000 2.072 1503 E HA -0.080 4.270 4.350 -0.000 0.000 0.190 1503 E C 2.137 178.715 176.600 -0.037 0.000 0.982 1503 E CA 1.137 57.515 56.400 -0.035 0.000 0.803 1503 E CB -0.280 29.405 29.700 -0.025 0.000 0.755 1503 E HN 0.642 nan 8.360 nan 0.000 0.453 1504 R N 0.702 121.181 120.500 -0.034 0.000 2.096 1504 R HA -0.058 4.282 4.340 -0.000 0.000 0.235 1504 R C 1.544 177.816 176.300 -0.047 0.000 1.127 1504 R CA 1.086 57.166 56.100 -0.034 0.000 0.968 1504 R CB -0.144 30.139 30.300 -0.028 0.000 0.861 1504 R HN 0.209 nan 8.270 nan 0.000 0.440 1505 L N 2.024 123.211 121.223 -0.060 0.000 2.591 1505 L HA 0.050 4.390 4.340 -0.000 0.000 0.228 1505 L C -0.113 176.707 176.870 -0.082 0.000 1.133 1505 L CA 0.297 55.090 54.840 -0.079 0.000 0.880 1505 L CB -0.540 41.462 42.059 -0.095 0.000 1.033 1505 L HN 0.456 nan 8.230 nan 0.000 0.450 1506 N N -0.121 118.537 118.700 -0.071 0.000 2.725 1506 N HA -0.230 4.510 4.740 -0.000 0.000 0.251 1506 N C -0.364 175.083 175.510 -0.104 0.000 1.031 1506 N CA 0.130 53.135 53.050 -0.074 0.000 0.720 1506 N CB -2.029 36.421 38.487 -0.063 0.000 0.930 1506 N HN 0.381 nan 8.380 nan 0.000 0.543 1507 L N -0.193 120.963 121.223 -0.112 0.000 2.456 1507 L HA 0.130 4.470 4.340 -0.000 0.000 0.272 1507 L C 1.788 178.549 176.870 -0.182 0.000 1.189 1507 L CA -0.298 54.452 54.840 -0.150 0.000 0.846 1507 L CB 0.522 42.504 42.059 -0.129 0.000 1.111 1507 L HN 0.123 nan 8.230 nan 0.000 0.475 1508 R N 0.540 120.861 120.500 -0.298 0.000 2.223 1508 R HA 0.116 4.456 4.340 -0.000 0.000 0.198 1508 R C 0.546 176.660 176.300 -0.312 0.000 0.984 1508 R CA 0.074 55.945 56.100 -0.382 0.000 1.018 1508 R CB -0.101 29.717 30.300 -0.804 0.000 0.945 1508 R HN 0.536 nan 8.270 nan 0.000 0.479 1509 S N 0.406 115.942 115.700 -0.274 0.000 2.624 1509 S HA 0.522 4.992 4.470 -0.000 0.000 0.263 1509 S C 0.160 174.679 174.600 -0.136 0.000 1.287 1509 S CA -0.419 57.694 58.200 -0.145 0.000 0.990 1509 S CB 1.123 64.250 63.200 -0.122 0.000 0.950 1509 S HN 0.388 nan 8.310 nan 0.000 0.561 1510 A N 1.603 124.335 122.820 -0.145 0.000 2.483 1510 A HA 0.403 4.723 4.320 -0.000 0.000 0.238 1510 A C -0.107 177.379 177.584 -0.163 0.000 1.070 1510 A CA -0.043 51.894 52.037 -0.166 0.000 0.770 1510 A CB -0.227 18.648 19.000 -0.208 0.000 1.008 1510 A HN 0.599 nan 8.150 nan 0.000 0.497 1511 I N 0.945 121.440 120.570 -0.126 0.000 2.441 1511 I HA 0.580 4.750 4.170 -0.000 0.000 0.295 1511 I C 0.528 176.603 176.117 -0.070 0.000 0.994 1511 I CA -0.114 61.123 61.300 -0.105 0.000 1.144 1511 I CB 1.098 39.065 38.000 -0.056 0.000 1.314 1511 I HN 0.746 nan 8.210 nan 0.000 0.445 1512 A N 6.055 128.834 122.820 -0.068 0.000 2.384 1512 A HA 0.859 5.179 4.320 -0.000 0.000 0.312 1512 A C -0.979 176.761 177.584 0.260 0.000 1.113 1512 A CA -0.542 51.555 52.037 0.099 0.000 0.779 1512 A CB 1.824 20.854 19.000 0.050 0.000 1.307 1512 A HN 0.396 nan 8.150 nan 0.000 0.436 1513 V N 1.648 121.760 119.914 0.330 0.000 2.495 1513 V HA 0.498 4.618 4.120 -0.000 0.000 0.298 1513 V C 0.191 176.471 176.094 0.310 0.000 1.031 1513 V CA -0.601 61.853 62.300 0.257 0.000 0.871 1513 V CB 1.447 33.353 31.823 0.138 0.000 0.988 1513 V HN 0.994 nan 8.190 nan 0.000 0.432 1514 V N 2.873 122.918 119.914 0.219 0.000 2.732 1514 V HA 0.766 4.885 4.120 -0.000 0.000 0.297 1514 V C -0.242 175.896 176.094 0.073 0.000 1.060 1514 V CA -0.417 61.987 62.300 0.172 0.000 1.038 1514 V CB 0.981 32.849 31.823 0.075 0.000 1.003 1514 V HN 1.070 nan 8.190 nan 0.000 0.481 1515 K N 1.608 122.023 120.400 0.025 0.000 2.575 1515 K HA 0.665 4.985 4.320 -0.000 0.000 0.279 1515 K C 0.172 176.744 176.600 -0.047 0.000 0.969 1515 K CA -0.505 55.749 56.287 -0.056 0.000 0.868 1515 K CB 1.441 33.853 32.500 -0.147 0.000 1.457 1515 K HN 1.984 nan 8.250 nan 0.000 0.426 1516 G N 0.518 109.289 108.800 -0.049 0.000 2.160 1516 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.244 1516 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.244 1516 G C 0.507 175.378 174.900 -0.047 0.000 1.022 1516 G CA 0.176 45.249 45.100 -0.044 0.000 0.741 1516 G HN 0.647 nan 8.290 nan 0.000 0.508 1517 C N -0.354 118.917 119.300 -0.049 0.000 2.539 1517 C HA 0.182 4.642 4.460 -0.000 0.000 0.268 1517 C C 2.357 177.301 174.990 -0.078 0.000 1.395 1517 C CA 0.867 59.840 59.018 -0.075 0.000 1.757 1517 C CB -0.542 27.158 27.740 -0.067 0.000 1.851 1517 C HN 0.588 nan 8.230 nan 0.000 0.545 1518 R N 0.505 120.970 120.500 -0.058 0.000 2.250 1518 R HA 0.051 4.390 4.340 -0.000 0.000 0.194 1518 R C 2.059 178.329 176.300 -0.050 0.000 0.927 1518 R CA 1.376 57.444 56.100 -0.054 0.000 1.052 1518 R CB -1.568 28.707 30.300 -0.042 0.000 1.055 1518 R HN 0.642 nan 8.270 nan 0.000 0.537 1519 T N -1.042 113.484 114.554 -0.047 0.000 3.023 1519 T HA 0.063 4.413 4.350 -0.000 0.000 0.266 1519 T C 1.214 175.887 174.700 -0.045 0.000 1.093 1519 T CA 0.074 62.150 62.100 -0.041 0.000 1.129 1519 T CB -0.260 68.586 68.868 -0.036 0.000 0.899 1519 T HN -0.036 nan 8.240 nan 0.000 0.491 1520 V N 2.997 122.877 119.914 -0.057 0.000 2.740 1520 V HA 0.382 4.502 4.120 -0.000 0.000 0.303 1520 V C -0.191 175.865 176.094 -0.064 0.000 1.054 1520 V CA -0.365 61.897 62.300 -0.064 0.000 1.106 1520 V CB 0.827 32.599 31.823 -0.085 0.000 0.957 1520 V HN 0.831 nan 8.190 nan 0.000 0.486 1521 Q N 3.874 123.639 119.800 -0.059 0.000 2.693 1521 Q HA 0.456 4.796 4.340 -0.000 0.000 0.306 1521 Q C 0.262 176.231 176.000 -0.052 0.000 0.969 1521 Q CA -0.912 54.861 55.803 -0.050 0.000 0.757 1521 Q CB 1.360 30.078 28.738 -0.034 0.000 1.494 1521 Q HN 0.405 nan 8.270 nan 0.000 0.459 1522 K N 0.650 121.026 120.400 -0.040 0.000 2.103 1522 K HA -0.084 4.236 4.320 -0.000 0.000 0.207 1522 K C 1.798 178.379 176.600 -0.032 0.000 1.048 1522 K CA 2.368 58.632 56.287 -0.038 0.000 0.930 1522 K CB -0.828 31.659 32.500 -0.022 0.000 0.716 1522 K HN 0.646 nan 8.250 nan 0.000 0.444 1523 A N 0.676 123.481 122.820 -0.026 0.000 2.070 1523 A HA -0.135 4.185 4.320 -0.000 0.000 0.220 1523 A C 1.222 178.787 177.584 -0.031 0.000 1.159 1523 A CA 1.848 53.873 52.037 -0.020 0.000 0.656 1523 A CB -0.403 18.588 19.000 -0.015 0.000 0.800 1523 A HN 0.416 nan 8.150 nan 0.000 0.453 1524 D N -0.527 119.846 120.400 -0.044 0.000 2.349 1524 D HA 0.037 4.677 4.640 -0.000 0.000 0.215 1524 D C 0.230 176.479 176.300 -0.084 0.000 1.016 1524 D CA 0.210 54.174 54.000 -0.060 0.000 0.870 1524 D CB -0.097 40.668 40.800 -0.059 0.000 0.917 1524 D HN 0.262 nan 8.370 nan 0.000 0.524 1525 M N 1.796 121.348 119.600 -0.080 0.000 2.292 1525 M HA 0.064 4.543 4.480 -0.000 0.000 0.342 1525 M C 0.008 176.238 176.300 -0.116 0.000 1.538 1525 M CA -0.327 54.916 55.300 -0.095 0.000 1.163 1525 M CB 0.594 33.151 32.600 -0.072 0.000 1.823 1525 M HN -0.311 nan 8.290 nan 0.000 0.462 1526 V N 6.512 126.308 119.914 -0.197 0.000 2.509 1526 V HA -0.100 4.020 4.120 -0.000 0.000 0.297 1526 V C 1.214 177.160 176.094 -0.246 0.000 1.014 1526 V CA 0.326 62.421 62.300 -0.342 0.000 1.127 1526 V CB -0.748 30.736 31.823 -0.565 0.000 0.925 1526 V HN 0.905 nan 8.190 nan 0.000 0.480 1527 H N 2.786 121.876 119.070 0.034 0.000 3.100 1527 H HA -0.167 4.389 4.556 -0.000 0.000 0.271 1527 H C 0.612 175.975 175.328 0.058 0.000 1.116 1527 H CA 1.339 57.444 56.048 0.095 0.000 1.177 1527 H CB -1.250 28.505 29.762 -0.011 0.000 1.294 1527 H HN 0.840 nan 8.280 nan 0.000 0.334 1528 N N 0.058 118.810 118.700 0.086 0.000 2.646 1528 N HA 0.103 4.843 4.740 -0.000 0.000 0.303 1528 N C 0.311 175.834 175.510 0.021 0.000 1.921 1528 N CA 0.663 53.737 53.050 0.041 0.000 0.872 1528 N CB 0.929 39.414 38.487 -0.004 0.000 1.327 1528 N HN 0.324 nan 8.380 nan 0.000 0.492 1529 S N -0.794 114.930 115.700 0.041 0.000 2.568 1529 S HA 0.164 4.634 4.470 -0.000 0.000 0.232 1529 S C 0.497 175.111 174.600 0.023 0.000 0.975 1529 S CA -0.408 57.803 58.200 0.019 0.000 0.949 1529 S CB 0.271 63.480 63.200 0.015 0.000 0.829 1529 S HN 0.230 nan 8.310 nan 0.000 0.479 1530 L N 2.678 123.923 121.223 0.036 0.000 2.455 1530 L HA 0.264 4.604 4.340 -0.000 0.000 0.272 1530 L C -0.041 176.840 176.870 0.018 0.000 1.174 1530 L CA 0.896 55.754 54.840 0.030 0.000 0.869 1530 L CB 0.450 42.533 42.059 0.040 0.000 1.130 1530 L HN 0.290 nan 8.230 nan 0.000 0.474 1531 Q N 6.953 126.755 119.800 0.003 0.000 2.721 1531 Q HA 0.354 4.694 4.340 -0.000 0.000 0.257 1531 Q C -2.184 173.802 176.000 -0.024 0.000 1.070 1531 Q CA -1.753 54.040 55.803 -0.016 0.000 0.910 1531 Q CB 0.694 29.412 28.738 -0.034 0.000 1.163 1531 Q HN 0.542 nan 8.270 nan 0.000 0.501 1532 P HA 0.078 nan 4.420 nan 0.000 0.274 1532 P C -0.595 176.687 177.300 -0.030 0.000 1.237 1532 P CA -0.447 62.646 63.100 -0.011 0.000 0.793 1532 P CB 0.865 32.569 31.700 0.007 0.000 0.977 1533 N N 1.627 120.310 118.700 -0.029 0.000 2.868 1533 N HA 0.240 4.980 4.740 -0.000 0.000 0.252 1533 N C -0.147 175.352 175.510 -0.020 0.000 1.130 1533 N CA -0.093 52.935 53.050 -0.036 0.000 1.026 1533 N CB -0.374 38.095 38.487 -0.030 0.000 1.335 1533 N HN 0.484 nan 8.380 nan 0.000 0.516 1534 I N 1.231 121.792 120.570 -0.015 0.000 2.385 1534 I HA 0.342 4.512 4.170 -0.000 0.000 0.294 1534 I C 0.132 176.253 176.117 0.005 0.000 0.988 1534 I CA -0.255 61.047 61.300 0.002 0.000 1.265 1534 I CB 0.955 38.968 38.000 0.023 0.000 1.388 1534 I HN 0.284 nan 8.210 nan 0.000 0.480 1535 T N 3.858 118.415 114.554 0.006 0.000 2.901 1535 T HA 0.706 5.056 4.350 -0.000 0.000 0.293 1535 T C -0.877 173.830 174.700 0.011 0.000 1.084 1535 T CA -0.745 61.359 62.100 0.006 0.000 1.008 1535 T CB 1.860 70.728 68.868 0.000 0.000 1.170 1535 T HN 0.301 nan 8.240 nan 0.000 0.509 1536 V N 1.584 121.505 119.914 0.012 0.000 2.577 1536 V HA 0.387 4.507 4.120 -0.000 0.000 0.303 1536 V C -0.391 175.723 176.094 0.034 0.000 1.042 1536 V CA -0.945 61.370 62.300 0.025 0.000 0.872 1536 V CB 1.696 33.526 31.823 0.013 0.000 0.998 1536 V HN 1.064 nan 8.190 nan 0.000 0.423 1537 D N 3.375 123.806 120.400 0.052 0.000 2.401 1537 D HA 0.200 4.840 4.640 -0.000 0.000 0.254 1537 D C 1.151 177.508 176.300 0.095 0.000 1.192 1537 D CA 0.516 54.543 54.000 0.046 0.000 0.885 1537 D CB 2.105 42.925 40.800 0.032 0.000 1.147 1537 D HN 0.680 nan 8.370 nan 0.000 0.478 1538 A N 4.603 127.454 122.820 0.052 0.000 1.986 1538 A HA -0.224 4.096 4.320 -0.000 0.000 0.220 1538 A C 1.937 179.589 177.584 0.114 0.000 1.171 1538 A CA 1.386 53.473 52.037 0.084 0.000 0.640 1538 A CB -0.109 18.888 19.000 -0.005 0.000 0.811 1538 A HN 0.693 nan 8.150 nan 0.000 0.451 1539 Q N -1.513 118.282 119.800 -0.008 0.000 2.165 1539 Q HA -0.059 4.281 4.340 -0.000 0.000 0.197 1539 Q C 2.228 178.054 176.000 -0.290 0.000 0.952 1539 Q CA 1.788 57.519 55.803 -0.121 0.000 0.848 1539 Q CB -0.222 28.469 28.738 -0.079 0.000 0.931 1539 Q HN 0.848 nan 8.270 nan 0.000 0.470 1540 T N -3.751 110.687 114.554 -0.193 0.000 3.037 1540 T HA -0.020 4.330 4.350 -0.000 0.000 0.251 1540 T C 0.245 174.853 174.700 -0.154 0.000 1.079 1540 T CA 0.019 61.992 62.100 -0.211 0.000 1.067 1540 T CB 0.046 68.863 68.868 -0.084 0.000 0.948 1540 T HN 0.174 nan 8.240 nan 0.000 0.496 1541 Y N 1.027 121.307 120.300 -0.033 0.000 4.798 1541 Y HA -0.189 4.361 4.550 -0.000 0.000 0.237 1541 Y C 0.234 176.112 175.900 -0.038 0.000 1.017 1541 Y CA -0.171 57.907 58.100 -0.037 0.000 2.010 1541 Y CB -2.877 35.557 38.460 -0.043 0.000 1.582 1541 Y HN 0.538 nan 8.280 nan 0.000 0.621 1542 E N 0.276 120.532 120.200 0.095 0.000 2.413 1542 E HA 0.334 4.684 4.350 -0.000 0.000 0.263 1542 E C 0.081 176.702 176.600 0.035 0.000 1.015 1542 E CA -0.044 56.382 56.400 0.044 0.000 0.916 1542 E CB 1.244 30.954 29.700 0.017 0.000 0.947 1542 E HN 0.012 nan 8.360 nan 0.000 0.440 1543 V N 3.818 123.740 119.914 0.013 0.000 2.427 1543 V HA 0.383 4.503 4.120 -0.000 0.000 0.286 1543 V C 0.083 176.177 176.094 -0.001 0.000 1.034 1543 V CA -0.491 61.811 62.300 0.004 0.000 0.893 1543 V CB 1.297 33.111 31.823 -0.015 0.000 0.982 1543 V HN 0.600 nan 8.190 nan 0.000 0.452 1544 R N 2.760 123.261 120.500 0.001 0.000 2.744 1544 R HA 0.800 5.140 4.340 -0.000 0.000 0.279 1544 R C -1.739 174.560 176.300 -0.002 0.000 0.977 1544 R CA -0.751 55.349 56.100 -0.001 0.000 0.906 1544 R CB 2.678 32.977 30.300 -0.000 0.000 1.197 1544 R HN 0.476 nan 8.270 nan 0.000 0.463 1545 V N 2.885 122.797 119.914 -0.003 0.000 2.443 1545 V HA 0.171 4.291 4.120 -0.000 0.000 0.293 1545 V C -0.429 175.663 176.094 -0.004 0.000 1.021 1545 V CA -0.542 61.756 62.300 -0.004 0.000 0.848 1545 V CB 1.547 33.368 31.823 -0.003 0.000 0.998 1545 V HN 0.886 nan 8.190 nan 0.000 0.424 1546 D N 4.445 124.842 120.400 -0.006 0.000 2.772 1546 D HA -0.209 4.431 4.640 -0.000 0.000 0.233 1546 D C 1.317 177.614 176.300 -0.005 0.000 1.143 1546 D CA 1.530 55.526 54.000 -0.007 0.000 0.700 1546 D CB -0.941 39.855 40.800 -0.006 0.000 1.076 1546 D HN 1.377 nan 8.370 nan 0.000 0.430 1547 G N -0.131 108.666 108.800 -0.004 0.000 2.267 1547 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.257 1547 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.257 1547 G C 0.175 175.073 174.900 -0.002 0.000 0.998 1547 G CA 0.617 45.715 45.100 -0.003 0.000 0.620 1547 G HN 0.485 nan 8.290 nan 0.000 0.529 1548 E N 0.171 120.371 120.200 -0.002 0.000 2.259 1548 E HA 0.526 4.876 4.350 -0.000 0.000 0.281 1548 E C 0.273 176.873 176.600 -0.000 0.000 1.027 1548 E CA -0.818 55.582 56.400 -0.000 0.000 0.838 1548 E CB 1.165 30.866 29.700 0.001 0.000 1.066 1548 E HN 0.302 nan 8.360 nan 0.000 0.401 1549 L N 5.208 126.432 121.223 0.001 0.000 2.462 1549 L HA 0.096 4.436 4.340 -0.000 0.000 0.272 1549 L C -0.932 175.938 176.870 0.000 0.000 1.166 1549 L CA 0.307 55.147 54.840 0.001 0.000 0.880 1549 L CB 0.325 42.386 42.059 0.003 0.000 1.142 1549 L HN 0.446 nan 8.230 nan 0.000 0.473 1550 I N 5.446 126.013 120.570 -0.005 0.000 2.312 1550 I HA 0.436 4.606 4.170 -0.000 0.000 0.290 1550 I C 0.353 176.463 176.117 -0.012 0.000 1.008 1550 I CA -0.045 61.249 61.300 -0.011 0.000 1.226 1550 I CB 0.412 38.396 38.000 -0.026 0.000 1.371 1550 I HN 0.694 nan 8.210 nan 0.000 0.468 1551 T N 4.141 118.697 114.554 0.003 0.000 2.731 1551 T HA 0.773 5.123 4.350 -0.000 0.000 0.300 1551 T C -0.964 173.763 174.700 0.045 0.000 1.283 1551 T CA -0.258 61.851 62.100 0.014 0.000 1.005 1551 T CB 1.623 70.505 68.868 0.023 0.000 1.420 1551 T HN 0.788 nan 8.240 nan 0.000 0.503 1552 S N 0.747 116.503 115.700 0.093 0.000 2.636 1552 S HA 0.714 5.184 4.470 -0.000 0.000 0.268 1552 S C -1.917 172.812 174.600 0.215 0.000 1.159 1552 S CA -0.994 57.285 58.200 0.133 0.000 0.815 1552 S CB 1.686 64.970 63.200 0.141 0.000 1.130 1552 S HN 0.618 nan 8.310 nan 0.000 0.471 1553 E N 1.755 122.032 120.200 0.128 0.000 2.204 1553 E HA 0.540 4.890 4.350 -0.000 0.000 0.276 1553 E C -2.653 173.837 176.600 -0.184 0.000 0.974 1553 E CA -2.276 54.131 56.400 0.013 0.000 0.815 1553 E CB 1.337 31.031 29.700 -0.010 0.000 1.119 1553 E HN 0.464 nan 8.360 nan 0.000 0.393 1554 P HA 0.159 nan 4.420 nan 0.000 0.280 1554 P C -0.782 176.325 177.300 -0.322 0.000 1.244 1554 P CA -0.379 62.225 63.100 -0.827 0.000 0.784 1554 P CB 0.790 31.866 31.700 -1.040 0.000 0.913 1555 A N 3.294 125.994 122.820 -0.199 0.000 2.477 1555 A HA 0.106 4.426 4.320 -0.000 0.000 0.246 1555 A C 1.002 178.542 177.584 -0.074 0.000 1.078 1555 A CA -0.070 51.920 52.037 -0.078 0.000 0.770 1555 A CB -0.365 18.633 19.000 -0.004 0.000 1.011 1555 A HN 0.621 nan 8.150 nan 0.000 0.494 1556 D N 1.275 121.650 120.400 -0.042 0.000 2.077 1556 D HA 0.077 4.717 4.640 -0.000 0.000 0.196 1556 D C 0.242 176.539 176.300 -0.005 0.000 0.986 1556 D CA 1.308 55.293 54.000 -0.025 0.000 0.829 1556 D CB -0.277 40.517 40.800 -0.011 0.000 0.983 1556 D HN 0.266 nan 8.370 nan 0.000 0.453 1557 V N 0.129 120.049 119.914 0.010 0.000 2.971 1557 V HA 0.417 4.537 4.120 -0.000 0.000 0.309 1557 V C -0.742 175.371 176.094 0.032 0.000 1.130 1557 V CA -0.977 61.335 62.300 0.019 0.000 0.964 1557 V CB 2.413 34.248 31.823 0.019 0.000 1.029 1557 V HN 0.147 nan 8.190 nan 0.000 0.427 1558 L N 4.252 125.488 121.223 0.021 0.000 2.319 1558 L HA 0.666 5.006 4.340 -0.000 0.000 0.267 1558 L C -2.222 174.621 176.870 -0.046 0.000 1.011 1558 L CA -1.701 53.138 54.840 -0.002 0.000 0.818 1558 L CB 2.779 44.850 42.059 0.021 0.000 1.316 1558 L HN 0.470 nan 8.230 nan 0.000 0.432 1559 P HA 0.258 nan 4.420 nan 0.000 0.282 1559 P C -0.175 177.125 177.300 0.000 0.000 1.287 1559 P CA -0.480 62.538 63.100 -0.138 0.000 0.792 1559 P CB 0.686 32.153 31.700 -0.389 0.000 1.163 1560 M N -2.703 116.961 119.600 0.107 0.000 2.393 1560 M HA -0.264 4.216 4.480 -0.000 0.000 0.201 1560 M C 0.304 176.785 176.300 0.302 0.000 0.403 1560 M CA 0.853 56.214 55.300 0.101 0.000 0.471 1560 M CB -2.020 30.555 32.600 -0.040 0.000 1.669 1560 M HN 0.574 nan 8.290 nan 0.000 0.864 1561 A N -0.414 122.628 122.820 0.370 0.000 2.905 1561 A HA 0.337 4.657 4.320 -0.000 0.000 0.193 1561 A C 0.948 178.757 177.584 0.374 0.000 1.268 1561 A CA 0.187 52.440 52.037 0.360 0.000 1.416 1561 A CB 0.064 19.166 19.000 0.171 0.000 1.753 1561 A HN 0.444 nan 8.150 nan 0.000 0.583 1562 Q N -0.201 119.709 119.800 0.185 0.000 2.368 1562 Q HA -0.132 4.208 4.340 -0.000 0.000 0.210 1562 Q C 1.895 177.894 176.000 -0.001 0.000 0.982 1562 Q CA 1.415 57.282 55.803 0.108 0.000 0.884 1562 Q CB -0.122 28.646 28.738 0.050 0.000 0.933 1562 Q HN 0.530 nan 8.270 nan 0.000 0.460 1563 R N -0.549 119.880 120.500 -0.118 0.000 2.193 1563 R HA -0.095 4.245 4.340 -0.000 0.000 0.213 1563 R C 0.884 176.881 176.300 -0.505 0.000 1.055 1563 R CA 0.963 56.841 56.100 -0.369 0.000 0.995 1563 R CB 0.269 30.187 30.300 -0.637 0.000 0.893 1563 R HN 0.300 nan 8.270 nan 0.000 0.459 1564 Y N -1.958 118.243 120.300 -0.165 0.000 2.522 1564 Y HA 0.208 4.758 4.550 -0.000 0.000 0.277 1564 Y C 0.033 175.678 175.900 -0.426 0.000 1.104 1564 Y CA -0.247 57.635 58.100 -0.365 0.000 1.260 1564 Y CB 0.496 38.525 38.460 -0.719 0.000 1.151 1564 Y HN -0.168 nan 8.280 nan 0.000 0.539 1565 F N 0.154 120.215 119.950 0.184 0.000 2.420 1565 F HA 0.231 4.758 4.527 -0.000 0.000 0.342 1565 F C 0.852 176.675 175.800 0.038 0.000 1.113 1565 F CA -0.783 57.299 58.000 0.136 0.000 1.059 1565 F CB 1.385 40.470 39.000 0.142 0.000 1.128 1565 F HN -0.168 nan 8.300 nan 0.000 0.475 1566 L N 2.894 124.235 121.223 0.197 0.000 2.131 1566 L HA 0.019 4.359 4.340 -0.000 0.000 0.210 1566 L C -0.372 176.273 176.870 -0.375 0.000 1.092 1566 L CA 1.921 56.718 54.840 -0.071 0.000 0.759 1566 L CB -0.441 41.606 42.059 -0.020 0.000 0.903 1566 L HN 0.439 nan 8.230 nan 0.000 0.435 1567 F N 0.000 120.034 119.950 0.140 0.000 2.286 1567 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 1567 F CA 0.000 58.048 58.000 0.081 0.000 1.383 1567 F CB 0.000 39.029 39.000 0.048 0.000 1.145 1567 F HN 0.000 nan 8.300 nan 0.000 0.574