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 1pj4_1_B DATA FIRST_RESID 1022 DATA SEQUENCE KEKGKPLXLN PRTNKGXAFT LQERQXLGLQ GLLPPKIETQ DIQALRFHRN DATA SEQUENCE LKKXTSPLEK YIYIXGIQER NEKLFYRILQ DDIESLXPIV YTPTVGLACS DATA SEQUENCE QYGHIFRRPK GLFISISDRG HVRSIVDNWP ENHVKAVVVT DGERILGLGD DATA SEQUENCE LGVYGXGIPV GKLCLYTACA GIRPDRCLPV CIDVGTDNIA LLKDPFYXGL DATA SEQUENCE YQKRDRTQQY DDLIDEFXKA ITDRYGRNTL IQFEDFGNHN AFRFLRKYRE DATA SEQUENCE KYCTFNDDIQ GTAAVALAGL LAAQKVISKP ISEHKILFLG AGEAALGIAN DATA SEQUENCE LIVXSXVENG LSEQEAQKKI WXFDKYGLLV KGRKAKIDSY QEPFTHSAPE DATA SEQUENCE SIPDTFEDAV NILKPSTIIG VAGAGRLFTP DVIRAXASIN ERPVIFALSN DATA SEQUENCE PTAQAECTAE EAYTLTEGRC LFASGSPFGP VKLTDGRVFT PGQGNNVYIF DATA SEQUENCE PGVALAVILC NTRHISDSVF LEAAKALTSQ LTDEELAQGR LYPPLANIQE DATA SEQUENCE VSINIAIKVT EYLYANKXAF RYPEPEDKAK YVKERTWRSE YDSLLPDVYE DATA SEQUENCE WP 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 1022 K HA 0.000 nan 4.320 nan 0.000 0.191 1022 K C 0.000 176.607 176.600 0.012 0.000 0.988 1022 K CA 0.000 56.300 56.287 0.021 0.000 0.838 1022 K CB 0.000 32.511 32.500 0.018 0.000 1.064 1023 E N 2.063 122.269 120.200 0.010 0.000 2.428 1023 E HA 0.049 4.398 4.350 -0.002 0.000 0.257 1023 E C -0.210 176.386 176.600 -0.007 0.000 1.197 1023 E CA 0.555 56.956 56.400 0.000 0.000 0.974 1023 E CB 0.661 30.360 29.700 -0.000 0.000 0.976 1023 E HN 0.203 nan 8.360 nan 0.000 0.463 1024 K N -1.106 119.281 120.400 -0.022 0.000 2.536 1024 K HA 0.462 4.781 4.320 -0.002 0.000 0.269 1024 K C -0.164 176.403 176.600 -0.055 0.000 0.965 1024 K CA 0.128 56.391 56.287 -0.041 0.000 0.860 1024 K CB 1.639 34.116 32.500 -0.037 0.000 1.423 1024 K HN 0.628 nan 8.250 nan 0.000 0.438 1025 G N 2.470 111.219 108.800 -0.085 0.000 2.593 1025 G HA2 -0.323 3.636 3.960 -0.002 0.000 0.237 1025 G HA3 -0.323 3.636 3.960 -0.002 0.000 0.237 1025 G C 0.354 175.200 174.900 -0.089 0.000 1.312 1025 G CA 0.425 45.471 45.100 -0.090 0.000 0.896 1025 G HN 0.747 nan 8.290 nan 0.000 0.574 1026 K N 1.130 121.488 120.400 -0.070 0.000 2.107 1026 K HA -0.103 4.216 4.320 -0.002 0.000 0.211 1026 K C 0.240 176.820 176.600 -0.034 0.000 1.049 1026 K CA 2.947 59.202 56.287 -0.053 0.000 0.927 1026 K CB -1.301 31.176 32.500 -0.038 0.000 0.714 1026 K HN 0.345 nan 8.250 nan 0.000 0.452 1027 P HA -0.162 nan 4.420 nan 0.000 0.217 1027 P C 0.227 177.529 177.300 0.004 0.000 1.148 1027 P CA 0.988 64.079 63.100 -0.014 0.000 0.834 1027 P CB 0.014 31.704 31.700 -0.017 0.000 0.783 1031 N N 3.151 121.861 118.700 0.017 0.000 2.439 1031 N HA 0.223 4.962 4.740 -0.002 0.000 0.249 1031 N C -1.733 173.791 175.510 0.024 0.000 1.003 1031 N CA -1.746 51.308 53.050 0.007 0.000 0.942 1031 N CB 1.856 40.349 38.487 0.010 0.000 1.115 1031 N HN -0.057 nan 8.380 nan 0.000 0.505 1032 P HA -0.174 nan 4.420 nan 0.000 0.218 1032 P C 1.160 178.488 177.300 0.047 0.000 1.146 1032 P CA 0.963 64.068 63.100 0.009 0.000 0.813 1032 P CB 0.553 32.229 31.700 -0.040 0.000 0.778 1033 R N 0.408 120.934 120.500 0.044 0.000 2.075 1033 R HA -0.083 4.256 4.340 -0.002 0.000 0.232 1033 R C 2.224 178.593 176.300 0.114 0.000 1.126 1033 R CA 2.326 58.476 56.100 0.082 0.000 0.963 1033 R CB -0.488 29.842 30.300 0.051 0.000 0.858 1033 R HN 0.276 nan 8.270 nan 0.000 0.435 1034 T N -2.431 112.181 114.554 0.097 0.000 3.039 1034 T HA 0.024 4.374 4.350 -0.002 0.000 0.250 1034 T C 0.762 175.520 174.700 0.095 0.000 1.052 1034 T CA -0.168 62.001 62.100 0.115 0.000 1.125 1034 T CB -0.347 68.604 68.868 0.138 0.000 0.908 1034 T HN 0.079 nan 8.240 nan 0.000 0.473 1035 N N 2.050 120.813 118.700 0.106 0.000 2.359 1035 N HA 0.030 4.769 4.740 -0.002 0.000 0.261 1035 N C 0.459 175.883 175.510 -0.142 0.000 1.267 1035 N CA 0.411 53.513 53.050 0.086 0.000 0.864 1035 N CB 0.503 39.050 38.487 0.101 0.000 1.063 1035 N HN 0.387 nan 8.380 nan 0.000 0.474 1036 K N 2.147 122.205 120.400 -0.570 0.000 2.374 1036 K HA 0.231 4.550 4.320 -0.002 0.000 0.202 1036 K C 0.751 177.095 176.600 -0.427 0.000 1.040 1036 K CA 0.145 55.934 56.287 -0.830 0.000 1.085 1036 K CB 0.318 31.800 32.500 -1.697 0.000 0.873 1036 K HN 0.801 nan 8.250 nan 0.000 0.539 1040 F N 3.026 122.863 119.950 -0.189 0.000 2.578 1040 F HA 0.331 4.857 4.527 -0.001 0.000 0.376 1040 F C 1.730 177.475 175.800 -0.091 0.000 1.085 1040 F CA 1.410 59.322 58.000 -0.148 0.000 1.260 1040 F CB 0.938 39.874 39.000 -0.107 0.000 1.095 1040 F HN 0.298 nan 8.300 nan 0.000 0.573 1041 T N 1.600 116.230 114.554 0.127 0.000 2.788 1041 T HA 0.120 4.469 4.350 -0.002 0.000 0.287 1041 T C 1.029 175.765 174.700 0.061 0.000 1.007 1041 T CA -0.929 61.211 62.100 0.067 0.000 1.005 1041 T CB 0.979 69.873 68.868 0.043 0.000 1.012 1041 T HN 0.548 nan 8.240 nan 0.000 0.530 1042 L N 0.855 122.098 121.223 0.033 0.000 1.989 1042 L HA -0.096 4.243 4.340 -0.002 0.000 0.211 1042 L C 2.957 179.831 176.870 0.006 0.000 1.071 1042 L CA 1.860 56.709 54.840 0.015 0.000 0.749 1042 L CB -1.141 40.924 42.059 0.009 0.000 0.890 1042 L HN 0.817 nan 8.230 nan 0.000 0.431 1043 Q N -0.792 119.016 119.800 0.012 0.000 2.061 1043 Q HA -0.282 4.057 4.340 -0.002 0.000 0.204 1043 Q C 2.216 178.218 176.000 0.004 0.000 0.984 1043 Q CA 2.130 57.937 55.803 0.006 0.000 0.846 1043 Q CB -0.189 28.557 28.738 0.013 0.000 0.902 1043 Q HN 0.625 nan 8.270 nan 0.000 0.421 1044 E N 0.227 120.444 120.200 0.027 0.000 2.058 1044 E HA -0.201 4.148 4.350 -0.002 0.000 0.194 1044 E C 2.067 178.637 176.600 -0.050 0.000 0.997 1044 E CA 1.037 57.458 56.400 0.035 0.000 0.801 1044 E CB 0.087 29.878 29.700 0.151 0.000 0.746 1044 E HN 0.243 nan 8.360 nan 0.000 0.450 1045 R N 0.553 121.013 120.500 -0.066 0.000 2.081 1045 R HA -0.073 4.266 4.340 -0.002 0.000 0.235 1045 R C 1.240 177.475 176.300 -0.109 0.000 1.131 1045 R CA 0.793 56.806 56.100 -0.145 0.000 0.960 1045 R CB -0.211 30.030 30.300 -0.098 0.000 0.856 1045 R HN 0.258 nan 8.270 nan 0.000 0.436 1049 G N 1.333 110.068 108.800 -0.109 0.000 2.272 1049 G HA2 -0.267 3.692 3.960 -0.002 0.000 0.280 1049 G HA3 -0.267 3.692 3.960 -0.002 0.000 0.280 1049 G C 0.329 175.151 174.900 -0.131 0.000 1.067 1049 G CA 0.678 45.717 45.100 -0.101 0.000 0.902 1049 G HN 0.336 nan 8.290 nan 0.000 0.500 1050 L N -0.982 120.140 121.223 -0.169 0.000 2.731 1050 L HA 0.253 4.592 4.340 -0.002 0.000 0.240 1050 L C 1.311 178.099 176.870 -0.136 0.000 1.120 1050 L CA -0.405 54.315 54.840 -0.200 0.000 0.913 1050 L CB 0.093 41.929 42.059 -0.373 0.000 1.213 1050 L HN 0.176 nan 8.230 nan 0.000 0.515 1051 Q N 1.259 120.998 119.800 -0.102 0.000 2.269 1051 Q HA 0.085 4.424 4.340 -0.002 0.000 0.300 1051 Q C 1.236 177.203 176.000 -0.055 0.000 1.070 1051 Q CA 1.409 57.172 55.803 -0.067 0.000 0.957 1051 Q CB 0.776 29.483 28.738 -0.053 0.000 1.131 1051 Q HN 0.473 nan 8.270 nan 0.000 0.377 1052 G N 2.590 111.365 108.800 -0.042 0.000 2.241 1052 G HA2 -0.277 3.682 3.960 -0.002 0.000 0.244 1052 G HA3 -0.277 3.682 3.960 -0.002 0.000 0.244 1052 G C 0.670 175.550 174.900 -0.033 0.000 0.998 1052 G CA 0.305 45.385 45.100 -0.033 0.000 0.621 1052 G HN 0.553 nan 8.290 nan 0.000 0.519 1053 L N 0.143 121.338 121.223 -0.046 0.000 2.558 1053 L HA 0.474 4.813 4.340 -0.002 0.000 0.225 1053 L C 0.939 177.793 176.870 -0.028 0.000 1.128 1053 L CA 0.368 55.183 54.840 -0.043 0.000 0.868 1053 L CB 0.039 42.059 42.059 -0.066 0.000 1.006 1053 L HN 0.194 nan 8.230 nan 0.000 0.454 1054 L N -1.062 120.147 121.223 -0.023 0.000 2.354 1054 L HA 0.500 4.840 4.340 -0.002 0.000 0.264 1054 L C -2.261 174.612 176.870 0.006 0.000 1.008 1054 L CA -1.970 52.872 54.840 0.003 0.000 0.819 1054 L CB 1.562 43.631 42.059 0.017 0.000 1.339 1054 L HN -0.257 nan 8.230 nan 0.000 0.420 1055 P HA 0.114 nan 4.420 nan 0.000 0.270 1055 P C -2.091 175.217 177.300 0.013 0.000 1.223 1055 P CA -0.819 62.289 63.100 0.013 0.000 0.785 1055 P CB 0.098 31.809 31.700 0.019 0.000 0.923 1056 P HA -0.135 nan 4.420 nan 0.000 0.218 1056 P C 0.098 177.406 177.300 0.014 0.000 1.148 1056 P CA 1.206 64.311 63.100 0.008 0.000 0.822 1056 P CB 0.029 31.732 31.700 0.005 0.000 0.784 1057 K N 1.016 121.427 120.400 0.017 0.000 2.484 1057 K HA 0.036 4.355 4.320 -0.002 0.000 0.280 1057 K C -0.253 176.363 176.600 0.026 0.000 1.013 1057 K CA 0.470 56.770 56.287 0.021 0.000 1.029 1057 K CB -0.233 32.280 32.500 0.022 0.000 0.902 1057 K HN -0.102 nan 8.250 nan 0.000 0.481 1058 I N 4.759 125.344 120.570 0.025 0.000 2.312 1058 I HA 0.222 4.391 4.170 -0.002 0.000 0.290 1058 I C 0.269 176.401 176.117 0.026 0.000 1.008 1058 I CA -0.273 61.044 61.300 0.027 0.000 1.226 1058 I CB 1.029 39.044 38.000 0.024 0.000 1.371 1058 I HN 0.775 nan 8.210 nan 0.000 0.468 1059 E N 3.702 123.918 120.200 0.026 0.000 2.239 1059 E HA 0.545 4.894 4.350 -0.002 0.000 0.261 1059 E C -0.100 176.524 176.600 0.040 0.000 1.016 1059 E CA -0.651 55.769 56.400 0.034 0.000 0.882 1059 E CB 1.884 31.609 29.700 0.042 0.000 1.190 1059 E HN 0.627 nan 8.360 nan 0.000 0.415 1060 T N -2.323 112.265 114.554 0.058 0.000 2.952 1060 T HA 0.137 4.486 4.350 -0.002 0.000 0.286 1060 T C 0.868 175.638 174.700 0.118 0.000 1.024 1060 T CA -0.752 61.398 62.100 0.082 0.000 1.029 1060 T CB 1.689 70.592 68.868 0.059 0.000 1.094 1060 T HN 0.475 nan 8.240 nan 0.000 0.515 1061 Q N -0.182 119.713 119.800 0.158 0.000 2.170 1061 Q HA -0.171 4.168 4.340 -0.002 0.000 0.203 1061 Q C 1.203 177.225 176.000 0.038 0.000 0.976 1061 Q CA 1.686 57.554 55.803 0.109 0.000 0.858 1061 Q CB -0.164 28.527 28.738 -0.079 0.000 0.907 1061 Q HN 0.698 nan 8.270 nan 0.000 0.433 1062 D N 0.331 120.752 120.400 0.035 0.000 2.123 1062 D HA -0.167 4.472 4.640 -0.002 0.000 0.196 1062 D C 1.764 178.099 176.300 0.058 0.000 0.992 1062 D CA 1.087 55.110 54.000 0.038 0.000 0.833 1062 D CB -0.148 40.672 40.800 0.033 0.000 0.954 1062 D HN 0.359 nan 8.370 nan 0.000 0.455 1063 I N 0.567 121.172 120.570 0.059 0.000 2.315 1063 I HA -0.248 3.921 4.170 -0.002 0.000 0.248 1063 I C 2.336 178.495 176.117 0.070 0.000 1.117 1063 I CA 0.927 62.264 61.300 0.062 0.000 1.404 1063 I CB -0.220 37.813 38.000 0.054 0.000 1.071 1063 I HN -0.007 nan 8.210 nan 0.000 0.419 1064 Q N 0.729 120.572 119.800 0.071 0.000 2.119 1064 Q HA -0.143 4.196 4.340 -0.002 0.000 0.201 1064 Q C 2.499 178.535 176.000 0.061 0.000 0.972 1064 Q CA 1.603 57.450 55.803 0.072 0.000 0.847 1064 Q CB -0.263 28.524 28.738 0.081 0.000 0.903 1064 Q HN 0.561 nan 8.270 nan 0.000 0.433 1065 A N 0.896 123.739 122.820 0.038 0.000 1.933 1065 A HA -0.161 4.158 4.320 -0.002 0.000 0.218 1065 A C 2.054 179.688 177.584 0.084 0.000 1.175 1065 A CA 1.040 53.082 52.037 0.008 0.000 0.628 1065 A CB -0.635 18.393 19.000 0.048 0.000 0.814 1065 A HN 0.299 nan 8.150 nan 0.000 0.444 1066 L N -1.079 120.229 121.223 0.142 0.000 2.046 1066 L HA -0.179 4.160 4.340 -0.002 0.000 0.208 1066 L C 2.804 179.751 176.870 0.128 0.000 1.077 1066 L CA 1.686 56.629 54.840 0.172 0.000 0.747 1066 L CB -0.354 41.775 42.059 0.117 0.000 0.896 1066 L HN 0.506 nan 8.230 nan 0.000 0.432 1067 R N -0.251 120.311 120.500 0.104 0.000 2.083 1067 R HA -0.264 4.075 4.340 -0.002 0.000 0.237 1067 R C 2.411 178.779 176.300 0.114 0.000 1.137 1067 R CA 2.099 58.258 56.100 0.098 0.000 0.951 1067 R CB -0.525 29.837 30.300 0.102 0.000 0.851 1067 R HN 0.247 nan 8.270 nan 0.000 0.434 1068 F N 1.093 121.032 119.950 -0.019 0.000 2.069 1068 F HA -0.244 4.282 4.527 -0.002 0.000 0.298 1068 F C 1.871 177.669 175.800 -0.004 0.000 1.113 1068 F CA 2.349 60.327 58.000 -0.037 0.000 1.214 1068 F CB -0.591 38.242 39.000 -0.279 0.000 0.978 1068 F HN 0.185 nan 8.300 nan 0.000 0.474 1069 H N -1.048 117.976 119.070 -0.077 0.000 2.421 1069 H HA -0.096 4.459 4.556 -0.001 0.000 0.298 1069 H C 2.259 177.487 175.328 -0.166 0.000 1.087 1069 H CA 1.287 57.222 56.048 -0.189 0.000 1.330 1069 H CB -0.133 29.650 29.762 0.035 0.000 1.388 1069 H HN 0.108 nan 8.280 nan 0.000 0.526 1070 R N 0.581 121.093 120.500 0.020 0.000 2.073 1070 R HA -0.077 4.262 4.340 -0.002 0.000 0.234 1070 R C 1.957 178.221 176.300 -0.061 0.000 1.134 1070 R CA 1.247 57.345 56.100 -0.003 0.000 0.952 1070 R CB -0.068 30.242 30.300 0.017 0.000 0.850 1070 R HN 0.345 nan 8.270 nan 0.000 0.433 1071 N N 0.070 118.713 118.700 -0.094 0.000 2.142 1071 N HA -0.146 4.593 4.740 -0.002 0.000 0.186 1071 N C 1.622 177.029 175.510 -0.172 0.000 1.023 1071 N CA 0.887 53.852 53.050 -0.142 0.000 0.852 1071 N CB -0.259 38.126 38.487 -0.170 0.000 0.998 1071 N HN 0.110 nan 8.380 nan 0.000 0.424 1072 L N 2.007 123.088 121.223 -0.238 0.000 2.079 1072 L HA -0.135 4.204 4.340 -0.002 0.000 0.210 1072 L C 1.916 178.726 176.870 -0.100 0.000 1.081 1072 L CA 1.576 56.294 54.840 -0.204 0.000 0.752 1072 L CB -0.233 41.552 42.059 -0.456 0.000 0.896 1072 L HN -0.055 nan 8.230 nan 0.000 0.433 1073 K N 0.453 120.802 120.400 -0.086 0.000 2.063 1073 K HA -0.127 4.192 4.320 -0.002 0.000 0.208 1073 K C 0.991 177.567 176.600 -0.039 0.000 1.048 1073 K CA 1.163 57.425 56.287 -0.042 0.000 0.928 1073 K CB -0.563 31.920 32.500 -0.028 0.000 0.713 1073 K HN 0.446 nan 8.250 nan 0.000 0.442 1077 S N 2.744 118.460 115.700 0.027 0.000 2.580 1077 S HA 0.407 4.876 4.470 -0.002 0.000 0.274 1077 S C -2.166 172.467 174.600 0.056 0.000 1.329 1077 S CA -0.907 57.315 58.200 0.035 0.000 1.036 1077 S CB 1.270 64.488 63.200 0.030 0.000 0.919 1077 S HN 0.068 nan 8.310 nan 0.000 0.515 1078 P HA -0.049 nan 4.420 nan 0.000 0.217 1078 P C 1.553 178.921 177.300 0.113 0.000 1.150 1078 P CA 0.300 63.448 63.100 0.080 0.000 0.832 1078 P CB 0.013 31.742 31.700 0.049 0.000 0.787 1079 L N 0.243 121.512 121.223 0.077 0.000 2.093 1079 L HA -0.125 4.214 4.340 -0.002 0.000 0.208 1079 L C 2.177 179.143 176.870 0.160 0.000 1.085 1079 L CA 1.880 56.776 54.840 0.094 0.000 0.755 1079 L CB -1.263 40.815 42.059 0.032 0.000 0.904 1079 L HN -0.039 nan 8.230 nan 0.000 0.435 1080 E N -0.622 119.649 120.200 0.117 0.000 2.106 1080 E HA -0.239 4.110 4.350 -0.002 0.000 0.192 1080 E C 2.021 178.723 176.600 0.170 0.000 0.984 1080 E CA 1.074 57.541 56.400 0.112 0.000 0.806 1080 E CB 0.071 29.807 29.700 0.060 0.000 0.750 1080 E HN 0.524 nan 8.360 nan 0.000 0.458 1081 K N -0.460 120.051 120.400 0.186 0.000 2.103 1081 K HA -0.159 4.161 4.320 -0.002 0.000 0.204 1081 K C 2.071 178.834 176.600 0.272 0.000 1.052 1081 K CA 1.186 57.617 56.287 0.239 0.000 0.945 1081 K CB -0.264 32.351 32.500 0.192 0.000 0.722 1081 K HN 0.217 nan 8.250 nan 0.000 0.443 1082 Y N 1.729 122.109 120.300 0.133 0.000 2.163 1082 Y HA -0.174 4.376 4.550 -0.001 0.000 0.288 1082 Y C 1.830 177.801 175.900 0.118 0.000 1.136 1082 Y CA 1.329 59.501 58.100 0.120 0.000 1.147 1082 Y CB -0.121 38.396 38.460 0.093 0.000 0.987 1082 Y HN -0.099 nan 8.280 nan 0.000 0.509 1083 I N -0.633 120.079 120.570 0.237 0.000 2.208 1083 I HA -0.340 3.829 4.170 -0.002 0.000 0.245 1083 I C 2.229 178.394 176.117 0.080 0.000 1.097 1083 I CA 1.756 63.120 61.300 0.107 0.000 1.363 1083 I CB -0.680 37.410 38.000 0.149 0.000 1.051 1083 I HN 0.326 nan 8.210 nan 0.000 0.413 1084 Y N 2.472 122.784 120.300 0.020 0.000 2.114 1084 Y HA -0.146 4.403 4.550 -0.002 0.000 0.284 1084 Y C 1.531 177.473 175.900 0.070 0.000 1.143 1084 Y CA 0.504 58.630 58.100 0.044 0.000 1.135 1084 Y CB -0.670 37.835 38.460 0.075 0.000 0.980 1084 Y HN 0.153 nan 8.280 nan 0.000 0.499 1088 I N 1.381 121.852 120.570 -0.164 0.000 2.394 1088 I HA -0.129 4.040 4.170 -0.002 0.000 0.251 1088 I C 2.605 178.582 176.117 -0.233 0.000 1.136 1088 I CA 1.623 62.841 61.300 -0.137 0.000 1.425 1088 I CB -0.065 37.860 38.000 -0.124 0.000 1.079 1088 I HN 0.290 nan 8.210 nan 0.000 0.425 1089 Q N 1.182 120.641 119.800 -0.569 0.000 2.226 1089 Q HA -0.200 4.140 4.340 -0.002 0.000 0.204 1089 Q C 1.514 177.259 176.000 -0.425 0.000 0.975 1089 Q CA 1.244 56.504 55.803 -0.904 0.000 0.866 1089 Q CB 0.204 27.977 28.738 -1.608 0.000 0.915 1089 Q HN 0.417 nan 8.270 nan 0.000 0.440 1090 E N -0.244 119.773 120.200 -0.305 0.000 2.489 1090 E HA 0.025 4.374 4.350 -0.002 0.000 0.193 1090 E C 1.201 177.731 176.600 -0.116 0.000 1.057 1090 E CA 0.226 56.514 56.400 -0.188 0.000 0.866 1090 E CB 0.392 29.987 29.700 -0.175 0.000 0.916 1090 E HN 0.384 nan 8.360 nan 0.000 0.500 1091 R N -0.140 120.300 120.500 -0.100 0.000 2.215 1091 R HA 0.147 4.487 4.340 -0.002 0.000 0.190 1091 R C 0.571 176.866 176.300 -0.008 0.000 0.968 1091 R CA 0.112 56.188 56.100 -0.040 0.000 1.122 1091 R CB 0.466 30.754 30.300 -0.020 0.000 1.151 1091 R HN -0.123 nan 8.270 nan 0.000 0.582 1092 N N 1.149 119.845 118.700 -0.007 0.000 2.653 1092 N HA -0.001 4.738 4.740 -0.002 0.000 0.261 1092 N C -0.160 175.394 175.510 0.075 0.000 1.216 1092 N CA 0.034 53.114 53.050 0.051 0.000 0.784 1092 N CB 1.444 39.974 38.487 0.071 0.000 1.327 1092 N HN 0.111 nan 8.380 nan 0.000 0.539 1093 E N 2.052 122.310 120.200 0.097 0.000 2.070 1093 E HA -0.248 4.101 4.350 -0.002 0.000 0.197 1093 E C 0.878 177.696 176.600 0.364 0.000 1.004 1093 E CA 1.442 57.950 56.400 0.180 0.000 0.805 1093 E CB 0.354 30.174 29.700 0.199 0.000 0.744 1093 E HN 0.315 nan 8.360 nan 0.000 0.451 1094 K N 0.305 120.906 120.400 0.335 0.000 2.032 1094 K HA -0.165 4.154 4.320 -0.002 0.000 0.209 1094 K C 2.051 178.685 176.600 0.058 0.000 1.048 1094 K CA 1.144 57.582 56.287 0.251 0.000 0.927 1094 K CB -0.492 32.065 32.500 0.095 0.000 0.712 1094 K HN 0.154 nan 8.250 nan 0.000 0.441 1095 L N 0.073 121.311 121.223 0.024 0.000 2.093 1095 L HA -0.053 4.286 4.340 -0.002 0.000 0.208 1095 L C 1.919 178.712 176.870 -0.128 0.000 1.085 1095 L CA 1.489 56.283 54.840 -0.076 0.000 0.755 1095 L CB -0.689 41.362 42.059 -0.013 0.000 0.904 1095 L HN 0.233 nan 8.230 nan 0.000 0.435 1096 F N -0.341 119.462 119.950 -0.245 0.000 2.069 1096 F HA -0.308 4.218 4.527 -0.002 0.000 0.298 1096 F C 2.071 177.601 175.800 -0.451 0.000 1.113 1096 F CA 2.006 59.745 58.000 -0.435 0.000 1.214 1096 F CB -0.733 37.957 39.000 -0.516 0.000 0.978 1096 F HN 0.160 nan 8.300 nan 0.000 0.474 1097 Y N -0.390 119.851 120.300 -0.099 0.000 2.373 1097 Y HA -0.128 4.421 4.550 -0.002 0.000 0.293 1097 Y C 2.506 178.291 175.900 -0.191 0.000 1.129 1097 Y CA 1.038 59.043 58.100 -0.159 0.000 1.226 1097 Y CB -0.442 38.147 38.460 0.216 0.000 1.000 1097 Y HN 0.017 nan 8.280 nan 0.000 0.549 1098 R N 0.832 121.284 120.500 -0.079 0.000 2.092 1098 R HA -0.127 4.213 4.340 -0.002 0.000 0.231 1098 R C 1.703 177.887 176.300 -0.193 0.000 1.119 1098 R CA 1.504 57.521 56.100 -0.139 0.000 0.970 1098 R CB -0.953 29.233 30.300 -0.191 0.000 0.864 1098 R HN 0.254 nan 8.270 nan 0.000 0.440 1099 I N 0.198 120.556 120.570 -0.354 0.000 2.252 1099 I HA -0.167 4.002 4.170 -0.002 0.000 0.245 1099 I C 1.728 177.641 176.117 -0.340 0.000 1.102 1099 I CA 0.988 62.002 61.300 -0.477 0.000 1.385 1099 I CB -0.412 36.975 38.000 -1.023 0.000 1.064 1099 I HN 0.134 nan 8.210 nan 0.000 0.414 1100 L N -0.246 120.719 121.223 -0.431 0.000 2.017 1100 L HA -0.241 4.098 4.340 -0.002 0.000 0.208 1100 L C 2.537 179.327 176.870 -0.134 0.000 1.073 1100 L CA 1.790 56.449 54.840 -0.302 0.000 0.745 1100 L CB -1.158 40.675 42.059 -0.376 0.000 0.894 1100 L HN 0.361 nan 8.230 nan 0.000 0.432 1101 Q N -0.561 119.178 119.800 -0.100 0.000 2.181 1101 Q HA -0.245 4.094 4.340 -0.002 0.000 0.205 1101 Q C 1.632 177.613 176.000 -0.033 0.000 0.980 1101 Q CA 1.665 57.438 55.803 -0.051 0.000 0.862 1101 Q CB -0.017 28.698 28.738 -0.039 0.000 0.905 1101 Q HN 0.472 nan 8.270 nan 0.000 0.429 1102 D N 0.548 120.940 120.400 -0.012 0.000 2.123 1102 D HA -0.124 4.515 4.640 -0.002 0.000 0.196 1102 D C 0.130 176.439 176.300 0.015 0.000 0.992 1102 D CA 1.391 55.412 54.000 0.036 0.000 0.833 1102 D CB 0.043 40.950 40.800 0.178 0.000 0.954 1102 D HN 0.252 nan 8.370 nan 0.000 0.455 1103 D N -1.118 119.296 120.400 0.023 0.000 2.934 1103 D HA 0.022 4.661 4.640 -0.002 0.000 0.249 1103 D C 0.667 176.969 176.300 0.004 0.000 1.293 1103 D CA -0.387 53.619 54.000 0.010 0.000 0.812 1103 D CB -0.157 40.651 40.800 0.014 0.000 1.439 1103 D HN -0.183 nan 8.370 nan 0.000 0.555 1104 I N 1.740 122.296 120.570 -0.023 0.000 2.264 1104 I HA -0.127 4.042 4.170 -0.002 0.000 0.248 1104 I C 1.849 177.951 176.117 -0.025 0.000 1.111 1104 I CA 1.780 63.055 61.300 -0.041 0.000 1.382 1104 I CB -0.036 37.925 38.000 -0.064 0.000 1.060 1104 I HN 0.503 nan 8.210 nan 0.000 0.418 1105 E N -0.246 119.947 120.200 -0.013 0.000 2.110 1105 E HA -0.221 4.128 4.350 -0.002 0.000 0.193 1105 E C 2.186 178.799 176.600 0.022 0.000 0.988 1105 E CA 1.512 57.913 56.400 0.002 0.000 0.804 1105 E CB -0.144 29.563 29.700 0.011 0.000 0.745 1105 E HN 0.674 nan 8.360 nan 0.000 0.458 1106 S N -0.488 115.230 115.700 0.030 0.000 2.478 1106 S HA 0.096 4.565 4.470 -0.002 0.000 0.222 1106 S C 1.081 175.719 174.600 0.063 0.000 1.008 1106 S CA -0.246 57.982 58.200 0.046 0.000 0.928 1106 S CB -0.063 63.166 63.200 0.048 0.000 0.781 1106 S HN 0.097 nan 8.310 nan 0.000 0.518 1110 I N -0.753 119.897 120.570 0.133 0.000 2.628 1110 I HA -0.018 4.151 4.170 -0.002 0.000 0.255 1110 I C 1.700 177.995 176.117 0.297 0.000 1.119 1110 I CA 0.569 61.978 61.300 0.182 0.000 1.448 1110 I CB 0.185 38.293 38.000 0.179 0.000 1.133 1110 I HN -0.231 nan 8.210 nan 0.000 0.438 1111 V N -0.236 119.841 119.914 0.271 0.000 3.052 1111 V HA -0.085 4.034 4.120 -0.002 0.000 0.254 1111 V C 0.853 177.182 176.094 0.392 0.000 1.100 1111 V CA 1.118 63.620 62.300 0.337 0.000 1.112 1111 V CB -0.317 31.617 31.823 0.185 0.000 0.738 1111 V HN 0.327 nan 8.190 nan 0.000 0.469 1112 Y N -0.201 120.176 120.300 0.128 0.000 3.175 1112 Y HA 0.467 5.016 4.550 -0.002 0.000 0.313 1112 Y C 0.853 176.775 175.900 0.037 0.000 1.525 1112 Y CA -0.944 57.208 58.100 0.088 0.000 0.992 1112 Y CB 0.902 39.404 38.460 0.071 0.000 1.347 1112 Y HN -0.118 nan 8.280 nan 0.000 0.691 1113 T N 3.967 118.237 114.554 -0.473 0.000 2.930 1113 T HA 0.192 4.541 4.350 -0.002 0.000 0.306 1113 T C -1.846 172.763 174.700 -0.151 0.000 1.045 1113 T CA -1.270 60.608 62.100 -0.369 0.000 1.134 1113 T CB 0.653 69.218 68.868 -0.505 0.000 0.961 1113 T HN 0.497 nan 8.240 nan 0.000 0.545 1114 P HA 0.078 nan 4.420 nan 0.000 0.234 1114 P C 1.368 178.592 177.300 -0.127 0.000 1.175 1114 P CA 0.474 63.485 63.100 -0.148 0.000 0.801 1114 P CB 0.057 31.676 31.700 -0.135 0.000 0.891 1115 T N 0.722 115.224 114.554 -0.086 0.000 2.737 1115 T HA -0.134 4.215 4.350 -0.002 0.000 0.269 1115 T C 1.864 176.437 174.700 -0.212 0.000 1.040 1115 T CA 1.287 63.325 62.100 -0.104 0.000 1.142 1115 T CB -1.154 67.701 68.868 -0.023 0.000 0.861 1115 T HN -0.077 nan 8.240 nan 0.000 0.456 1116 V N 1.424 121.239 119.914 -0.164 0.000 2.594 1116 V HA -0.080 4.039 4.120 -0.002 0.000 0.253 1116 V C 2.486 178.448 176.094 -0.220 0.000 1.069 1116 V CA 2.185 64.360 62.300 -0.207 0.000 1.082 1116 V CB -0.999 30.815 31.823 -0.016 0.000 0.680 1116 V HN 0.596 nan 8.190 nan 0.000 0.469 1117 G N -0.475 108.214 108.800 -0.185 0.000 2.403 1117 G HA2 -0.212 3.747 3.960 -0.002 0.000 0.216 1117 G HA3 -0.212 3.747 3.960 -0.002 0.000 0.216 1117 G C 1.471 176.281 174.900 -0.150 0.000 1.154 1117 G CA 0.942 45.948 45.100 -0.157 0.000 0.784 1117 G HN 0.498 nan 8.290 nan 0.000 0.538 1118 L N 1.464 122.590 121.223 -0.161 0.000 2.046 1118 L HA 0.183 4.522 4.340 -0.002 0.000 0.208 1118 L C 3.005 179.769 176.870 -0.178 0.000 1.077 1118 L CA 2.051 56.804 54.840 -0.144 0.000 0.747 1118 L CB -0.767 41.215 42.059 -0.127 0.000 0.896 1118 L HN 0.223 nan 8.230 nan 0.000 0.432 1119 A N -0.636 122.012 122.820 -0.287 0.000 1.877 1119 A HA -0.281 4.038 4.320 -0.002 0.000 0.216 1119 A C 2.589 180.114 177.584 -0.097 0.000 1.186 1119 A CA 1.943 53.801 52.037 -0.298 0.000 0.620 1119 A CB -1.618 16.908 19.000 -0.790 0.000 0.822 1119 A HN 0.783 nan 8.150 nan 0.000 0.443 1120 C N -0.178 119.029 119.300 -0.154 0.000 2.440 1120 C HA -0.040 4.419 4.460 -0.002 0.000 0.278 1120 C C 2.960 177.899 174.990 -0.085 0.000 1.295 1120 C CA 1.125 60.037 59.018 -0.176 0.000 1.738 1120 C CB -1.640 25.974 27.740 -0.211 0.000 1.987 1120 C HN 0.732 nan 8.230 nan 0.000 0.492 1121 S N -0.018 115.643 115.700 -0.067 0.000 2.474 1121 S HA -0.115 4.354 4.470 -0.002 0.000 0.235 1121 S C 1.547 176.095 174.600 -0.087 0.000 0.997 1121 S CA 1.279 59.479 58.200 -0.001 0.000 0.949 1121 S CB -0.658 62.526 63.200 -0.028 0.000 0.766 1121 S HN 0.877 nan 8.310 nan 0.000 0.517 1122 Q N -1.335 118.335 119.800 -0.217 0.000 2.112 1122 Q HA 0.247 4.586 4.340 -0.002 0.000 0.222 1122 Q C 0.084 175.873 176.000 -0.352 0.000 0.798 1122 Q CA -0.359 55.235 55.803 -0.349 0.000 1.060 1122 Q CB 0.101 28.686 28.738 -0.254 0.000 1.184 1122 Q HN 0.499 nan 8.270 nan 0.000 0.475 1123 Y N 1.320 121.218 120.300 -0.670 0.000 2.139 1123 Y HA -0.255 4.295 4.550 -0.001 0.000 0.282 1123 Y C 2.223 177.927 175.900 -0.327 0.000 1.179 1123 Y CA 2.238 60.060 58.100 -0.463 0.000 1.161 1123 Y CB -0.302 37.914 38.460 -0.407 0.000 0.970 1123 Y HN 0.263 nan 8.280 nan 0.000 0.511 1124 G N -2.585 105.918 108.800 -0.495 0.000 2.484 1124 G HA2 -0.221 3.738 3.960 -0.002 0.000 0.218 1124 G HA3 -0.221 3.738 3.960 -0.002 0.000 0.218 1124 G C 1.180 176.176 174.900 0.161 0.000 1.130 1124 G CA 0.872 46.050 45.100 0.130 0.000 0.784 1124 G HN 0.429 nan 8.290 nan 0.000 0.543 1125 H N 0.193 119.178 119.070 -0.141 0.000 2.436 1125 H HA 0.103 4.658 4.556 -0.001 0.000 0.294 1125 H C 2.394 177.610 175.328 -0.187 0.000 1.048 1125 H CA 0.888 56.789 56.048 -0.245 0.000 1.353 1125 H CB -0.026 29.647 29.762 -0.149 0.000 1.414 1125 H HN 0.552 nan 8.280 nan 0.000 0.536 1126 I N -3.004 117.571 120.570 0.010 0.000 3.956 1126 I HA 0.161 4.330 4.170 -0.002 0.000 0.333 1126 I C 0.124 176.205 176.117 -0.061 0.000 1.302 1126 I CA -0.383 60.903 61.300 -0.022 0.000 1.122 1126 I CB -0.224 37.779 38.000 0.005 0.000 1.013 1126 I HN -0.144 nan 8.210 nan 0.000 0.405 1127 F N 3.170 122.997 119.950 -0.204 0.000 2.629 1127 F HA 0.118 4.644 4.527 -0.002 0.000 0.377 1127 F C 1.107 176.821 175.800 -0.143 0.000 1.101 1127 F CA 0.722 58.586 58.000 -0.228 0.000 1.301 1127 F CB 0.522 39.413 39.000 -0.181 0.000 1.062 1127 F HN 0.048 nan 8.300 nan 0.000 0.583 1128 R N 3.057 122.926 120.500 -1.052 0.000 2.840 1128 R HA 0.317 4.656 4.340 -0.002 0.000 0.173 1128 R C -0.315 175.384 176.300 -1.001 0.000 0.791 1128 R CA -0.491 55.168 56.100 -0.734 0.000 1.069 1128 R CB 0.564 30.640 30.300 -0.373 0.000 1.537 1128 R HN 0.496 nan 8.270 nan 0.000 0.609 1129 R N 1.338 121.209 120.500 -1.047 0.000 2.725 1129 R HA 0.398 4.737 4.340 -0.002 0.000 0.277 1129 R C -2.732 173.303 176.300 -0.443 0.000 0.987 1129 R CA -1.770 53.956 56.100 -0.623 0.000 0.901 1129 R CB 2.524 32.653 30.300 -0.286 0.000 1.207 1129 R HN -0.006 nan 8.270 nan 0.000 0.463 1130 P HA 0.304 nan 4.420 nan 0.000 0.281 1130 P C -1.349 176.104 177.300 0.255 0.000 1.249 1130 P CA -0.528 62.785 63.100 0.356 0.000 0.810 1130 P CB 1.370 33.354 31.700 0.473 0.000 1.008 1131 K N 0.434 121.031 120.400 0.329 0.000 2.426 1131 K HA 0.642 4.961 4.320 -0.002 0.000 0.251 1131 K C -0.079 176.637 176.600 0.193 0.000 0.941 1131 K CA -0.630 55.791 56.287 0.223 0.000 0.808 1131 K CB 2.026 34.603 32.500 0.128 0.000 1.265 1131 K HN 0.880 nan 8.250 nan 0.000 0.432 1132 G N 1.030 109.947 108.800 0.194 0.000 2.860 1132 G HA2 -0.241 3.718 3.960 -0.002 0.000 0.553 1132 G HA3 -0.241 3.718 3.960 -0.002 0.000 0.553 1132 G C -0.985 173.867 174.900 -0.081 0.000 1.439 1132 G CA -0.917 44.117 45.100 -0.109 0.000 0.879 1132 G HN 0.431 nan 8.290 nan 0.000 0.545 1133 L N -0.214 120.802 121.223 -0.344 0.000 2.307 1133 L HA 0.668 5.007 4.340 -0.002 0.000 0.282 1133 L C -0.333 176.363 176.870 -0.289 0.000 1.051 1133 L CA -0.616 54.140 54.840 -0.139 0.000 0.804 1133 L CB 1.005 42.957 42.059 -0.178 0.000 1.197 1133 L HN 0.432 nan 8.230 nan 0.000 0.431 1134 F N 4.541 124.485 119.950 -0.011 0.000 2.426 1134 F HA 0.487 5.013 4.527 -0.002 0.000 0.348 1134 F C 0.184 175.953 175.800 -0.052 0.000 1.124 1134 F CA -0.413 57.557 58.000 -0.049 0.000 1.008 1134 F CB 1.298 40.282 39.000 -0.025 0.000 1.139 1134 F HN 0.158 nan 8.300 nan 0.000 0.452 1135 I N 3.180 123.776 120.570 0.044 0.000 2.389 1135 I HA 0.365 4.534 4.170 -0.002 0.000 0.288 1135 I C -0.259 175.864 176.117 0.010 0.000 0.999 1135 I CA -0.520 60.787 61.300 0.011 0.000 1.129 1135 I CB 1.804 39.756 38.000 -0.080 0.000 1.288 1135 I HN 0.603 nan 8.210 nan 0.000 0.444 1136 S N 5.065 120.789 115.700 0.041 0.000 2.664 1136 S HA 0.408 4.877 4.470 -0.002 0.000 0.304 1136 S C 0.678 175.308 174.600 0.051 0.000 1.099 1136 S CA -0.686 57.536 58.200 0.038 0.000 1.003 1136 S CB 2.101 65.320 63.200 0.031 0.000 1.092 1136 S HN 0.573 nan 8.310 nan 0.000 0.525 1137 I N 1.915 122.523 120.570 0.063 0.000 2.567 1137 I HA -0.064 4.105 4.170 -0.002 0.000 0.257 1137 I C 2.015 178.176 176.117 0.074 0.000 1.184 1137 I CA 1.369 62.716 61.300 0.079 0.000 1.451 1137 I CB -0.739 37.320 38.000 0.100 0.000 1.089 1137 I HN 0.750 nan 8.210 nan 0.000 0.441 1138 S N 0.167 115.907 115.700 0.067 0.000 2.555 1138 S HA -0.040 4.429 4.470 -0.002 0.000 0.230 1138 S C 1.116 175.774 174.600 0.095 0.000 0.978 1138 S CA 0.763 59.005 58.200 0.071 0.000 0.934 1138 S CB -0.335 62.897 63.200 0.053 0.000 0.766 1138 S HN 0.516 nan 8.310 nan 0.000 0.533 1139 D N 1.506 121.966 120.400 0.099 0.000 2.395 1139 D HA 0.035 4.674 4.640 -0.002 0.000 0.213 1139 D C 0.449 176.834 176.300 0.140 0.000 1.110 1139 D CA -0.083 54.004 54.000 0.144 0.000 0.835 1139 D CB 0.189 41.058 40.800 0.115 0.000 0.965 1139 D HN 0.531 nan 8.370 nan 0.000 0.505 1140 R N 0.156 120.710 120.500 0.090 0.000 2.537 1140 R HA 0.235 4.574 4.340 -0.002 0.000 0.281 1140 R C 1.001 177.274 176.300 -0.044 0.000 0.988 1140 R CA 0.892 57.015 56.100 0.038 0.000 1.077 1140 R CB -0.005 30.320 30.300 0.041 0.000 0.932 1140 R HN 0.004 nan 8.270 nan 0.000 0.409 1141 G N 1.797 110.536 108.800 -0.102 0.000 2.217 1141 G HA2 -0.255 3.704 3.960 -0.002 0.000 0.246 1141 G HA3 -0.255 3.704 3.960 -0.002 0.000 0.246 1141 G C 0.307 174.943 174.900 -0.440 0.000 0.990 1141 G CA 0.252 45.184 45.100 -0.279 0.000 0.627 1141 G HN 0.806 nan 8.290 nan 0.000 0.522 1142 H N -0.499 118.591 119.070 0.033 0.000 2.750 1142 H HA 0.371 4.926 4.556 -0.001 0.000 0.252 1142 H C 1.952 177.304 175.328 0.039 0.000 1.176 1142 H CA 0.460 56.528 56.048 0.032 0.000 0.987 1142 H CB 0.392 30.173 29.762 0.032 0.000 1.810 1142 H HN 0.251 nan 8.280 nan 0.000 0.630 1143 V N 0.736 120.716 119.914 0.111 0.000 2.490 1143 V HA -0.247 3.872 4.120 -0.002 0.000 0.250 1143 V C 2.761 178.909 176.094 0.091 0.000 1.061 1143 V CA 1.809 64.171 62.300 0.104 0.000 1.064 1143 V CB -0.245 31.634 31.823 0.094 0.000 0.670 1143 V HN 0.196 nan 8.190 nan 0.000 0.461 1144 R N 1.865 122.403 120.500 0.063 0.000 2.081 1144 R HA -0.145 4.194 4.340 -0.002 0.000 0.235 1144 R C 2.536 178.869 176.300 0.054 0.000 1.131 1144 R CA 2.077 58.199 56.100 0.038 0.000 0.960 1144 R CB -0.953 29.356 30.300 0.015 0.000 0.856 1144 R HN 0.663 nan 8.270 nan 0.000 0.436 1145 S N -0.418 115.329 115.700 0.078 0.000 2.419 1145 S HA -0.084 4.385 4.470 -0.002 0.000 0.233 1145 S C 2.093 176.744 174.600 0.085 0.000 1.016 1145 S CA 1.195 59.439 58.200 0.074 0.000 0.974 1145 S CB -0.461 62.787 63.200 0.081 0.000 0.786 1145 S HN 0.365 nan 8.310 nan 0.000 0.492 1146 I N 1.158 121.790 120.570 0.102 0.000 2.233 1146 I HA -0.090 4.079 4.170 -0.002 0.000 0.243 1146 I C 2.349 178.553 176.117 0.145 0.000 1.093 1146 I CA 0.936 62.309 61.300 0.121 0.000 1.380 1146 I CB -0.391 37.683 38.000 0.123 0.000 1.067 1146 I HN 0.225 nan 8.210 nan 0.000 0.413 1147 V N 0.716 120.706 119.914 0.126 0.000 2.490 1147 V HA -0.267 3.852 4.120 -0.002 0.000 0.250 1147 V C 1.728 177.910 176.094 0.147 0.000 1.061 1147 V CA 1.716 64.100 62.300 0.140 0.000 1.064 1147 V CB -0.678 31.185 31.823 0.068 0.000 0.670 1147 V HN 0.389 nan 8.190 nan 0.000 0.461 1148 D N -0.022 120.432 120.400 0.090 0.000 2.348 1148 D HA -0.067 4.572 4.640 -0.002 0.000 0.216 1148 D C 1.786 178.150 176.300 0.107 0.000 0.970 1148 D CA 0.519 54.559 54.000 0.066 0.000 0.889 1148 D CB -0.232 40.585 40.800 0.030 0.000 0.912 1148 D HN 0.369 nan 8.370 nan 0.000 0.524 1149 N N -0.328 118.460 118.700 0.146 0.000 2.446 1149 N HA -0.075 4.664 4.740 -0.002 0.000 0.179 1149 N C 0.230 175.853 175.510 0.188 0.000 1.054 1149 N CA -0.023 53.110 53.050 0.138 0.000 0.905 1149 N CB 0.081 38.648 38.487 0.133 0.000 0.973 1149 N HN 0.341 nan 8.380 nan 0.000 0.448 1150 W N 2.901 124.250 121.300 0.081 0.000 2.381 1150 W HA 0.072 4.731 4.660 -0.001 0.000 0.321 1150 W C -1.680 174.897 176.519 0.096 0.000 1.407 1150 W CA -1.319 56.084 57.345 0.096 0.000 1.274 1150 W CB 0.947 30.493 29.460 0.142 0.000 1.310 1150 W HN 0.085 nan 8.180 nan 0.000 0.551 1151 P HA -0.181 nan 4.420 nan 0.000 0.216 1151 P C -0.015 177.168 177.300 -0.195 0.000 1.150 1151 P CA 1.623 64.520 63.100 -0.339 0.000 0.837 1151 P CB 0.174 31.597 31.700 -0.463 0.000 0.786 1152 E N 0.355 120.407 120.200 -0.248 0.000 2.338 1152 E HA 0.018 4.367 4.350 -0.002 0.000 0.272 1152 E C 0.923 177.727 176.600 0.340 0.000 1.029 1152 E CA -0.031 56.426 56.400 0.095 0.000 0.872 1152 E CB 0.248 30.066 29.700 0.197 0.000 1.015 1152 E HN 0.293 nan 8.360 nan 0.000 0.417 1153 N N 2.020 120.889 118.700 0.282 0.000 2.356 1153 N HA -0.134 4.605 4.740 -0.002 0.000 0.178 1153 N C 0.197 175.997 175.510 0.482 0.000 1.075 1153 N CA 0.482 53.739 53.050 0.345 0.000 0.889 1153 N CB 0.231 38.821 38.487 0.172 0.000 0.999 1153 N HN 0.510 nan 8.380 nan 0.000 0.464 1154 H N 0.683 119.899 119.070 0.244 0.000 2.336 1154 H HA 0.351 4.906 4.556 -0.002 0.000 0.230 1154 H C -0.961 174.360 175.328 -0.012 0.000 1.426 1154 H CA -0.514 55.634 56.048 0.166 0.000 1.359 1154 H CB 0.603 30.427 29.762 0.104 0.000 1.555 1154 H HN -0.177 nan 8.280 nan 0.000 0.512 1155 V N 3.424 123.207 119.914 -0.219 0.000 2.572 1155 V HA 0.003 4.122 4.120 -0.002 0.000 0.291 1155 V C 0.843 176.741 176.094 -0.327 0.000 1.039 1155 V CA 0.341 62.316 62.300 -0.542 0.000 1.055 1155 V CB 1.434 32.484 31.823 -1.288 0.000 0.969 1155 V HN 0.692 nan 8.190 nan 0.000 0.482 1156 K N 2.862 123.112 120.400 -0.251 0.000 2.464 1156 K HA 0.440 4.759 4.320 -0.002 0.000 0.206 1156 K C 0.176 176.728 176.600 -0.080 0.000 1.186 1156 K CA 0.370 56.574 56.287 -0.138 0.000 0.990 1156 K CB 1.615 34.029 32.500 -0.145 0.000 1.003 1156 K HN 0.666 nan 8.250 nan 0.000 0.562 1157 A N 1.317 124.062 122.820 -0.125 0.000 2.427 1157 A HA 0.603 4.922 4.320 -0.002 0.000 0.298 1157 A C -1.022 176.427 177.584 -0.224 0.000 1.036 1157 A CA -0.527 51.467 52.037 -0.072 0.000 0.701 1157 A CB 1.687 20.748 19.000 0.102 0.000 1.250 1157 A HN -0.092 nan 8.150 nan 0.000 0.412 1158 V N 2.373 122.164 119.914 -0.204 0.000 2.588 1158 V HA 0.573 4.692 4.120 -0.002 0.000 0.304 1158 V C -0.605 175.328 176.094 -0.269 0.000 1.042 1158 V CA -0.562 61.578 62.300 -0.267 0.000 0.877 1158 V CB 1.887 33.579 31.823 -0.218 0.000 0.996 1158 V HN 0.701 nan 8.190 nan 0.000 0.425 1159 V N 5.270 124.986 119.914 -0.330 0.000 2.407 1159 V HA 0.580 4.699 4.120 -0.002 0.000 0.291 1159 V C -0.374 175.533 176.094 -0.311 0.000 1.018 1159 V CA -0.534 61.572 62.300 -0.323 0.000 0.842 1159 V CB 1.845 33.453 31.823 -0.360 0.000 0.996 1159 V HN 0.625 nan 8.190 nan 0.000 0.426 1160 V N 4.719 124.440 119.914 -0.321 0.000 2.769 1160 V HA 0.890 5.010 4.120 -0.002 0.000 0.312 1160 V C -0.380 175.602 176.094 -0.186 0.000 1.061 1160 V CA 0.149 62.245 62.300 -0.340 0.000 0.931 1160 V CB 2.577 34.121 31.823 -0.465 0.000 1.010 1160 V HN 0.958 nan 8.190 nan 0.000 0.433 1161 T N 2.369 116.780 114.554 -0.239 0.000 2.868 1161 T HA 0.467 4.816 4.350 -0.002 0.000 0.306 1161 T C -0.754 173.613 174.700 -0.556 0.000 1.224 1161 T CA 0.183 62.081 62.100 -0.337 0.000 1.012 1161 T CB 1.744 70.447 68.868 -0.276 0.000 1.221 1161 T HN 0.961 nan 8.240 nan 0.000 0.499 1162 D N 0.222 120.088 120.400 -0.890 0.000 2.479 1162 D HA 0.245 4.884 4.640 -0.002 0.000 0.218 1162 D C 1.339 177.429 176.300 -0.350 0.000 1.177 1162 D CA 0.563 54.237 54.000 -0.542 0.000 0.830 1162 D CB -0.315 40.191 40.800 -0.490 0.000 1.014 1162 D HN 1.064 nan 8.370 nan 0.000 0.503 1163 G N 1.347 109.940 108.800 -0.345 0.000 2.233 1163 G HA2 -0.424 3.535 3.960 -0.002 0.000 0.270 1163 G HA3 -0.424 3.535 3.960 -0.002 0.000 0.270 1163 G C 0.724 175.528 174.900 -0.161 0.000 1.011 1163 G CA 0.803 45.781 45.100 -0.203 0.000 0.762 1163 G HN 0.521 nan 8.290 nan 0.000 0.511 1164 E N -0.649 119.435 120.200 -0.194 0.000 2.230 1164 E HA 0.082 4.431 4.350 -0.002 0.000 0.192 1164 E C 1.616 178.167 176.600 -0.083 0.000 0.987 1164 E CA 0.144 56.471 56.400 -0.122 0.000 0.841 1164 E CB 0.084 29.720 29.700 -0.106 0.000 0.783 1164 E HN 0.348 nan 8.360 nan 0.000 0.481 1165 R N 1.370 121.820 120.500 -0.084 0.000 2.629 1165 R HA 0.207 4.546 4.340 -0.002 0.000 0.277 1165 R C -1.067 175.196 176.300 -0.062 0.000 1.637 1165 R CA -0.443 55.626 56.100 -0.052 0.000 1.663 1165 R CB 0.428 30.718 30.300 -0.018 0.000 1.228 1165 R HN 0.117 nan 8.270 nan 0.000 0.632 1166 I N 5.320 125.846 120.570 -0.073 0.000 2.347 1166 I HA 0.047 4.216 4.170 -0.002 0.000 0.294 1166 I C 1.514 177.586 176.117 -0.075 0.000 1.090 1166 I CA 0.439 61.691 61.300 -0.081 0.000 1.314 1166 I CB -0.405 37.544 38.000 -0.085 0.000 1.423 1166 I HN 0.595 nan 8.210 nan 0.000 0.503 1167 L N 5.249 126.427 121.223 -0.076 0.000 6.223 1167 L HA -0.309 4.030 4.340 -0.002 0.000 0.053 1167 L C 1.410 178.243 176.870 -0.061 0.000 2.244 1167 L CA 1.352 56.145 54.840 -0.078 0.000 1.647 1167 L CB -1.593 40.404 42.059 -0.103 0.000 2.769 1167 L HN 0.673 nan 8.230 nan 0.000 1.016 1168 G N -1.275 107.487 108.800 -0.063 0.000 3.393 1168 G HA2 0.415 4.374 3.960 -0.002 0.000 0.255 1168 G HA3 0.415 4.374 3.960 -0.002 0.000 0.255 1168 G C 0.708 175.579 174.900 -0.048 0.000 1.097 1168 G CA -0.111 44.958 45.100 -0.051 0.000 0.780 1168 G HN 0.200 nan 8.290 nan 0.000 0.540 1169 L N 0.388 121.579 121.223 -0.053 0.000 2.418 1169 L HA 0.337 4.676 4.340 -0.002 0.000 0.218 1169 L C 1.790 178.635 176.870 -0.042 0.000 1.125 1169 L CA 1.000 55.812 54.840 -0.047 0.000 0.835 1169 L CB -0.900 41.128 42.059 -0.052 0.000 0.953 1169 L HN 0.414 nan 8.230 nan 0.000 0.454 1170 G N -0.809 107.965 108.800 -0.044 0.000 2.466 1170 G HA2 -0.234 3.725 3.960 -0.002 0.000 0.218 1170 G HA3 -0.234 3.725 3.960 -0.002 0.000 0.218 1170 G C -0.574 174.295 174.900 -0.052 0.000 1.237 1170 G CA -0.151 44.923 45.100 -0.043 0.000 0.954 1170 G HN 0.120 nan 8.290 nan 0.000 0.580 1171 D N 1.232 121.598 120.400 -0.056 0.000 2.365 1171 D HA 0.473 5.112 4.640 -0.002 0.000 0.237 1171 D C 1.283 177.540 176.300 -0.071 0.000 1.190 1171 D CA -0.135 53.823 54.000 -0.070 0.000 0.867 1171 D CB 0.417 41.171 40.800 -0.077 0.000 1.050 1171 D HN 0.391 nan 8.370 nan 0.000 0.491 1172 L N 3.127 124.318 121.223 -0.054 0.000 2.808 1172 L HA 0.280 4.619 4.340 -0.002 0.000 0.246 1172 L C 1.642 178.518 176.870 0.009 0.000 1.153 1172 L CA -0.128 54.703 54.840 -0.015 0.000 0.956 1172 L CB 0.035 42.125 42.059 0.051 0.000 1.270 1172 L HN 0.612 nan 8.230 nan 0.000 0.528 1173 G N 0.887 109.677 108.800 -0.018 0.000 2.614 1173 G HA2 -0.358 3.601 3.960 -0.002 0.000 0.303 1173 G HA3 -0.358 3.601 3.960 -0.002 0.000 0.303 1173 G C 0.771 175.731 174.900 0.101 0.000 1.270 1173 G CA 0.215 45.351 45.100 0.060 0.000 0.988 1173 G HN -0.094 nan 8.290 nan 0.000 0.551 1174 V N 0.690 120.697 119.914 0.155 0.000 2.867 1174 V HA -0.103 4.016 4.120 -0.002 0.000 0.260 1174 V C 2.221 178.477 176.094 0.271 0.000 1.099 1174 V CA 2.412 64.787 62.300 0.124 0.000 1.122 1174 V CB -0.839 30.957 31.823 -0.045 0.000 0.708 1174 V HN 0.541 nan 8.190 nan 0.000 0.490 1175 Y N 0.600 120.978 120.300 0.130 0.000 2.574 1175 Y HA 0.033 4.582 4.550 -0.002 0.000 0.294 1175 Y C 1.906 177.668 175.900 -0.230 0.000 1.142 1175 Y CA -0.214 57.920 58.100 0.057 0.000 1.314 1175 Y CB -0.007 38.535 38.460 0.136 0.000 0.991 1175 Y HN 0.443 nan 8.280 nan 0.000 0.555 1179 I N 2.045 122.528 120.570 -0.145 0.000 2.202 1179 I HA 0.001 4.170 4.170 -0.002 0.000 0.242 1179 I C -0.287 175.794 176.117 -0.060 0.000 1.091 1179 I CA 1.144 62.401 61.300 -0.072 0.000 1.368 1179 I CB -1.798 36.138 38.000 -0.105 0.000 1.058 1179 I HN 0.047 nan 8.210 nan 0.000 0.410 1180 P HA -0.052 nan 4.420 nan 0.000 0.218 1180 P C 2.233 179.462 177.300 -0.118 0.000 1.149 1180 P CA 0.873 63.876 63.100 -0.161 0.000 0.817 1180 P CB 0.119 31.679 31.700 -0.232 0.000 0.785 1181 V N -0.038 119.838 119.914 -0.063 0.000 2.307 1181 V HA -0.158 3.961 4.120 -0.002 0.000 0.245 1181 V C 2.570 178.705 176.094 0.069 0.000 1.045 1181 V CA 2.542 64.841 62.300 -0.001 0.000 1.024 1181 V CB -1.823 30.041 31.823 0.069 0.000 0.651 1181 V HN 0.166 nan 8.190 nan 0.000 0.449 1182 G N -0.271 108.605 108.800 0.127 0.000 2.418 1182 G HA2 -0.198 3.761 3.960 -0.002 0.000 0.217 1182 G HA3 -0.198 3.761 3.960 -0.002 0.000 0.217 1182 G C 1.662 176.687 174.900 0.208 0.000 1.158 1182 G CA 0.521 45.754 45.100 0.222 0.000 0.771 1182 G HN 0.349 nan 8.290 nan 0.000 0.545 1183 K N 0.358 120.850 120.400 0.153 0.000 2.026 1183 K HA 0.049 4.368 4.320 -0.002 0.000 0.208 1183 K C 2.515 179.251 176.600 0.227 0.000 1.048 1183 K CA 0.648 57.036 56.287 0.168 0.000 0.929 1183 K CB -0.723 31.731 32.500 -0.077 0.000 0.713 1183 K HN 0.343 nan 8.250 nan 0.000 0.439 1184 L N 0.452 121.670 121.223 -0.008 0.000 2.191 1184 L HA -0.200 4.139 4.340 -0.002 0.000 0.212 1184 L C 2.649 179.606 176.870 0.146 0.000 1.103 1184 L CA 0.639 55.418 54.840 -0.102 0.000 0.769 1184 L CB -0.476 41.441 42.059 -0.238 0.000 0.908 1184 L HN 0.172 nan 8.230 nan 0.000 0.438 1185 C N -0.087 119.341 119.300 0.213 0.000 2.425 1185 C HA -0.149 4.310 4.460 -0.002 0.000 0.277 1185 C C 2.667 177.848 174.990 0.318 0.000 1.280 1185 C CA 0.619 59.857 59.018 0.367 0.000 1.744 1185 C CB -0.733 27.211 27.740 0.340 0.000 1.989 1185 C HN 0.451 nan 8.230 nan 0.000 0.491 1186 L N -1.371 119.987 121.223 0.224 0.000 2.217 1186 L HA -0.096 4.243 4.340 -0.002 0.000 0.211 1186 L C 2.416 179.367 176.870 0.135 0.000 1.107 1186 L CA 1.131 56.033 54.840 0.102 0.000 0.783 1186 L CB -0.738 41.303 42.059 -0.031 0.000 0.919 1186 L HN 0.279 nan 8.230 nan 0.000 0.442 1187 Y N 0.975 121.320 120.300 0.074 0.000 2.081 1187 Y HA -0.287 4.262 4.550 -0.001 0.000 0.280 1187 Y C 2.870 178.726 175.900 -0.074 0.000 1.163 1187 Y CA 1.984 60.102 58.100 0.031 0.000 1.135 1187 Y CB -0.873 37.613 38.460 0.044 0.000 0.970 1187 Y HN 0.123 nan 8.280 nan 0.000 0.498 1188 T N -0.558 114.023 114.554 0.045 0.000 2.770 1188 T HA -0.077 4.272 4.350 -0.002 0.000 0.258 1188 T C 2.198 176.817 174.700 -0.136 0.000 1.039 1188 T CA 1.213 63.181 62.100 -0.220 0.000 1.143 1188 T CB -0.721 67.703 68.868 -0.741 0.000 0.866 1188 T HN 0.365 nan 8.240 nan 0.000 0.428 1189 A N 0.558 123.383 122.820 0.009 0.000 1.908 1189 A HA -0.125 4.194 4.320 -0.002 0.000 0.218 1189 A C 2.621 180.196 177.584 -0.016 0.000 1.181 1189 A CA 1.650 53.734 52.037 0.079 0.000 0.627 1189 A CB -1.205 17.871 19.000 0.127 0.000 0.818 1189 A HN 0.644 nan 8.150 nan 0.000 0.445 1190 C N -2.034 117.226 119.300 -0.068 0.000 2.538 1190 C HA 0.424 4.883 4.460 -0.002 0.000 0.281 1190 C C 2.760 177.683 174.990 -0.112 0.000 1.320 1190 C CA 0.599 59.542 59.018 -0.125 0.000 1.714 1190 C CB -0.725 26.880 27.740 -0.225 0.000 2.095 1190 C HN 0.679 nan 8.230 nan 0.000 0.497 1191 A N -0.518 122.233 122.820 -0.115 0.000 2.470 1191 A HA 0.508 4.827 4.320 -0.002 0.000 0.251 1191 A C 1.468 179.017 177.584 -0.060 0.000 1.245 1191 A CA 0.889 52.863 52.037 -0.105 0.000 0.932 1191 A CB -0.631 18.274 19.000 -0.158 0.000 1.037 1191 A HN 1.161 nan 8.150 nan 0.000 0.522 1192 G N 0.195 108.979 108.800 -0.026 0.000 2.249 1192 G HA2 -0.246 3.713 3.960 -0.002 0.000 0.273 1192 G HA3 -0.246 3.713 3.960 -0.002 0.000 0.273 1192 G C 0.073 174.989 174.900 0.027 0.000 1.036 1192 G CA 0.489 45.618 45.100 0.047 0.000 0.824 1192 G HN 0.518 nan 8.290 nan 0.000 0.504 1193 I N 0.468 121.008 120.570 -0.051 0.000 2.496 1193 I HA 0.167 4.336 4.170 -0.002 0.000 0.285 1193 I C 1.399 177.390 176.117 -0.209 0.000 1.080 1193 I CA -0.628 60.634 61.300 -0.064 0.000 1.404 1193 I CB 0.571 38.585 38.000 0.024 0.000 1.403 1193 I HN 0.119 nan 8.210 nan 0.000 0.539 1194 R N 7.484 127.851 120.500 -0.223 0.000 2.480 1194 R HA -0.010 4.330 4.340 -0.002 0.000 0.303 1194 R C -1.627 174.370 176.300 -0.505 0.000 0.985 1194 R CA -0.999 54.813 56.100 -0.481 0.000 1.051 1194 R CB -0.030 30.130 30.300 -0.234 0.000 0.935 1194 R HN 0.404 nan 8.270 nan 0.000 0.410 1195 P HA -0.214 nan 4.420 nan 0.000 0.215 1195 P C 0.556 177.718 177.300 -0.231 0.000 1.153 1195 P CA 1.313 64.127 63.100 -0.476 0.000 0.853 1195 P CB 0.114 31.476 31.700 -0.563 0.000 0.788 1196 D N -0.843 119.433 120.400 -0.207 0.000 2.378 1196 D HA -0.148 4.491 4.640 -0.002 0.000 0.222 1196 D C 1.200 177.478 176.300 -0.037 0.000 0.980 1196 D CA 0.757 54.721 54.000 -0.060 0.000 0.907 1196 D CB -0.625 40.161 40.800 -0.024 0.000 0.899 1196 D HN 0.241 nan 8.370 nan 0.000 0.527 1197 R N -0.536 119.891 120.500 -0.122 0.000 2.468 1197 R HA 0.267 4.606 4.340 -0.002 0.000 0.280 1197 R C -0.258 175.936 176.300 -0.177 0.000 0.963 1197 R CA -0.255 55.753 56.100 -0.153 0.000 1.083 1197 R CB 0.422 30.601 30.300 -0.202 0.000 1.200 1197 R HN 0.103 nan 8.270 nan 0.000 0.541 1198 C N 1.211 120.418 119.300 -0.156 0.000 2.411 1198 C HA 0.591 5.050 4.460 -0.002 0.000 0.330 1198 C C -0.499 174.343 174.990 -0.246 0.000 1.224 1198 C CA -0.969 57.917 59.018 -0.219 0.000 1.770 1198 C CB 1.295 28.904 27.740 -0.219 0.000 2.297 1198 C HN 0.316 nan 8.230 nan 0.000 0.507 1199 L N 5.940 126.930 121.223 -0.388 0.000 2.491 1199 L HA 0.586 4.925 4.340 -0.002 0.000 0.267 1199 L C -2.665 173.900 176.870 -0.508 0.000 0.971 1199 L CA -1.479 53.016 54.840 -0.576 0.000 0.857 1199 L CB 1.857 43.441 42.059 -0.792 0.000 1.226 1199 L HN 0.441 nan 8.230 nan 0.000 0.408 1200 P HA 0.343 nan 4.420 nan 0.000 0.286 1200 P C -1.272 175.758 177.300 -0.450 0.000 1.269 1200 P CA -0.243 62.625 63.100 -0.387 0.000 0.787 1200 P CB 2.017 33.549 31.700 -0.280 0.000 0.920 1201 V N 3.600 123.263 119.914 -0.418 0.000 2.709 1201 V HA 0.343 4.462 4.120 -0.002 0.000 0.308 1201 V C -0.196 175.611 176.094 -0.477 0.000 1.062 1201 V CA -0.522 61.501 62.300 -0.462 0.000 0.901 1201 V CB 2.430 34.010 31.823 -0.406 0.000 1.003 1201 V HN 0.750 nan 8.190 nan 0.000 0.425 1202 C N 6.679 125.667 119.300 -0.520 0.000 2.340 1202 C HA 0.650 5.109 4.460 -0.002 0.000 0.323 1202 C C -0.562 174.242 174.990 -0.310 0.000 1.260 1202 C CA -0.544 58.231 59.018 -0.406 0.000 1.464 1202 C CB -0.167 27.336 27.740 -0.395 0.000 2.156 1202 C HN 0.705 nan 8.230 nan 0.000 0.476 1203 I N 5.503 125.892 120.570 -0.302 0.000 2.297 1203 I HA 0.273 4.442 4.170 -0.002 0.000 0.291 1203 I C 0.033 176.096 176.117 -0.090 0.000 1.033 1203 I CA 0.342 61.506 61.300 -0.227 0.000 1.253 1203 I CB 0.947 38.793 38.000 -0.257 0.000 1.396 1203 I HN 0.701 nan 8.210 nan 0.000 0.476 1204 D N 6.419 126.805 120.400 -0.023 0.000 2.373 1204 D HA 0.322 4.962 4.640 -0.002 0.000 0.227 1204 D C 0.543 176.871 176.300 0.047 0.000 1.091 1204 D CA -0.315 53.694 54.000 0.017 0.000 0.840 1204 D CB 1.243 42.058 40.800 0.024 0.000 1.060 1204 D HN 0.331 nan 8.370 nan 0.000 0.502 1205 V N 1.653 121.608 119.914 0.068 0.000 3.159 1205 V HA 0.729 4.848 4.120 -0.002 0.000 0.333 1205 V C 0.728 176.851 176.094 0.049 0.000 1.424 1205 V CA 0.400 62.758 62.300 0.096 0.000 1.125 1205 V CB -0.277 31.668 31.823 0.204 0.000 1.075 1205 V HN 0.737 nan 8.190 nan 0.000 0.482 1206 G N -0.089 108.732 108.800 0.034 0.000 2.498 1206 G HA2 0.293 4.252 3.960 -0.002 0.000 0.651 1206 G HA3 0.293 4.252 3.960 -0.002 0.000 0.651 1206 G C -0.460 174.435 174.900 -0.008 0.000 1.284 1206 G CA 0.068 45.181 45.100 0.021 0.000 0.950 1206 G HN 1.376 nan 8.290 nan 0.000 0.511 1207 T N -1.403 113.122 114.554 -0.048 0.000 2.932 1207 T HA 0.582 4.931 4.350 -0.002 0.000 0.318 1207 T C -0.541 174.092 174.700 -0.112 0.000 1.265 1207 T CA 0.280 62.320 62.100 -0.100 0.000 1.036 1207 T CB 1.773 70.535 68.868 -0.177 0.000 1.209 1207 T HN 0.412 nan 8.240 nan 0.000 0.484 1208 D N 1.843 122.182 120.400 -0.102 0.000 2.349 1208 D HA 0.102 4.741 4.640 -0.002 0.000 0.214 1208 D C 0.496 176.737 176.300 -0.097 0.000 1.063 1208 D CA 0.081 54.030 54.000 -0.085 0.000 0.847 1208 D CB 0.170 40.931 40.800 -0.065 0.000 0.933 1208 D HN 0.455 nan 8.370 nan 0.000 0.513 1209 N N 1.798 120.417 118.700 -0.135 0.000 2.400 1209 N HA -0.002 4.737 4.740 -0.002 0.000 0.267 1209 N C 1.305 176.725 175.510 -0.149 0.000 1.208 1209 N CA 0.009 52.976 53.050 -0.139 0.000 0.951 1209 N CB 0.285 38.667 38.487 -0.175 0.000 1.227 1209 N HN 0.114 nan 8.380 nan 0.000 0.488 1210 I N 2.429 122.941 120.570 -0.096 0.000 2.248 1210 I HA -0.327 3.843 4.170 -0.002 0.000 0.248 1210 I C 2.131 178.201 176.117 -0.078 0.000 1.107 1210 I CA 1.222 62.477 61.300 -0.076 0.000 1.373 1210 I CB -0.295 37.678 38.000 -0.046 0.000 1.055 1210 I HN 0.531 nan 8.210 nan 0.000 0.418 1211 A N 1.062 123.838 122.820 -0.074 0.000 1.933 1211 A HA -0.136 4.183 4.320 -0.002 0.000 0.218 1211 A C 2.323 179.858 177.584 -0.082 0.000 1.175 1211 A CA 1.363 53.370 52.037 -0.050 0.000 0.628 1211 A CB -0.723 18.263 19.000 -0.024 0.000 0.814 1211 A HN 0.401 nan 8.150 nan 0.000 0.444 1212 L N -0.761 120.337 121.223 -0.207 0.000 2.093 1212 L HA -0.087 4.252 4.340 -0.002 0.000 0.208 1212 L C 2.236 178.885 176.870 -0.369 0.000 1.085 1212 L CA 0.716 55.306 54.840 -0.415 0.000 0.755 1212 L CB -0.454 41.096 42.059 -0.847 0.000 0.904 1212 L HN 0.351 nan 8.230 nan 0.000 0.435 1213 L N -0.263 120.814 121.223 -0.243 0.000 2.456 1213 L HA -0.153 4.186 4.340 -0.002 0.000 0.224 1213 L C 1.701 178.637 176.870 0.110 0.000 1.148 1213 L CA 1.055 55.889 54.840 -0.010 0.000 0.825 1213 L CB -0.222 41.822 42.059 -0.025 0.000 0.937 1213 L HN 0.249 nan 8.230 nan 0.000 0.450 1214 K N -1.181 119.241 120.400 0.037 0.000 2.438 1214 K HA 0.098 4.417 4.320 -0.002 0.000 0.205 1214 K C -0.157 176.474 176.600 0.052 0.000 1.033 1214 K CA -0.187 56.112 56.287 0.021 0.000 1.089 1214 K CB 0.555 33.052 32.500 -0.005 0.000 0.857 1214 K HN -0.018 nan 8.250 nan 0.000 0.522 1215 D N 1.691 122.169 120.400 0.131 0.000 2.280 1215 D HA 0.121 4.760 4.640 -0.002 0.000 0.243 1215 D C -2.040 174.377 176.300 0.195 0.000 1.129 1215 D CA -2.312 51.795 54.000 0.178 0.000 0.848 1215 D CB 1.871 42.830 40.800 0.265 0.000 1.107 1215 D HN -0.156 nan 8.370 nan 0.000 0.471 1216 P HA 0.032 nan 4.420 nan 0.000 0.230 1216 P C 0.382 177.537 177.300 -0.242 0.000 1.158 1216 P CA 0.596 63.555 63.100 -0.236 0.000 0.769 1216 P CB 0.036 31.420 31.700 -0.528 0.000 0.807 1217 F N -3.607 116.493 119.950 0.251 0.000 2.695 1217 F HA 0.222 4.748 4.527 -0.002 0.000 0.303 1217 F C 1.262 177.269 175.800 0.346 0.000 1.091 1217 F CA -1.242 56.906 58.000 0.246 0.000 1.300 1217 F CB -1.007 38.130 39.000 0.229 0.000 1.071 1217 F HN -0.111 nan 8.300 nan 0.000 0.578 1221 L N 0.476 121.581 121.223 -0.196 0.000 2.367 1221 L HA 0.443 4.782 4.340 -0.002 0.000 0.275 1221 L C -0.409 176.449 176.870 -0.020 0.000 1.129 1221 L CA -0.352 54.444 54.840 -0.072 0.000 0.839 1221 L CB 0.404 42.465 42.059 0.003 0.000 1.133 1221 L HN 0.465 nan 8.230 nan 0.000 0.453 1222 Y N 4.405 124.766 120.300 0.103 0.000 2.570 1222 Y HA 0.326 4.875 4.550 -0.002 0.000 0.336 1222 Y C 0.327 176.246 175.900 0.032 0.000 1.284 1222 Y CA -0.159 57.991 58.100 0.083 0.000 1.761 1222 Y CB -0.271 38.220 38.460 0.051 0.000 1.724 1222 Y HN 0.570 nan 8.280 nan 0.000 0.455 1223 Q N 0.004 119.872 119.800 0.114 0.000 2.527 1223 Q HA 0.422 4.761 4.340 -0.002 0.000 0.280 1223 Q C -1.394 174.619 176.000 0.021 0.000 0.977 1223 Q CA -1.427 54.416 55.803 0.066 0.000 0.837 1223 Q CB 1.383 30.159 28.738 0.062 0.000 1.454 1223 Q HN -0.000 nan 8.270 nan 0.000 0.387 1224 K N 1.329 121.733 120.400 0.006 0.000 2.230 1224 K HA 0.239 4.558 4.320 -0.002 0.000 0.253 1224 K C -0.091 176.498 176.600 -0.018 0.000 1.008 1224 K CA -0.205 56.071 56.287 -0.018 0.000 0.910 1224 K CB 0.347 32.837 32.500 -0.017 0.000 0.994 1224 K HN 0.579 nan 8.250 nan 0.000 0.495 1225 R N 1.497 121.972 120.500 -0.041 0.000 2.570 1225 R HA -0.044 4.295 4.340 -0.002 0.000 0.277 1225 R C 0.251 176.523 176.300 -0.048 0.000 1.039 1225 R CA 0.045 56.111 56.100 -0.057 0.000 1.065 1225 R CB 0.254 30.490 30.300 -0.106 0.000 0.964 1225 R HN 0.467 nan 8.270 nan 0.000 0.428 1226 D N 2.662 123.046 120.400 -0.027 0.000 2.365 1226 D HA 0.045 4.684 4.640 -0.002 0.000 0.237 1226 D C 0.033 176.312 176.300 -0.035 0.000 1.190 1226 D CA -0.055 53.954 54.000 0.014 0.000 0.867 1226 D CB 0.651 41.502 40.800 0.086 0.000 1.050 1226 D HN 0.388 nan 8.370 nan 0.000 0.491 1227 R N 1.902 122.384 120.500 -0.029 0.000 2.552 1227 R HA 0.125 4.464 4.340 -0.002 0.000 0.314 1227 R C 0.821 177.165 176.300 0.074 0.000 1.041 1227 R CA -0.272 55.804 56.100 -0.041 0.000 1.076 1227 R CB 0.623 30.892 30.300 -0.051 0.000 1.290 1227 R HN 0.431 nan 8.270 nan 0.000 0.563 1228 T N -2.898 111.724 114.554 0.113 0.000 2.849 1228 T HA 0.014 4.363 4.350 -0.002 0.000 0.276 1228 T C 1.225 176.040 174.700 0.192 0.000 0.971 1228 T CA -0.661 61.516 62.100 0.128 0.000 0.949 1228 T CB 1.333 70.261 68.868 0.100 0.000 1.093 1228 T HN -0.053 nan 8.240 nan 0.000 0.545 1229 Q N -0.072 119.822 119.800 0.157 0.000 2.297 1229 Q HA -0.144 4.195 4.340 -0.002 0.000 0.208 1229 Q C 2.229 178.334 176.000 0.174 0.000 0.981 1229 Q CA 1.713 57.615 55.803 0.166 0.000 0.876 1229 Q CB -0.671 28.137 28.738 0.117 0.000 0.921 1229 Q HN 0.787 nan 8.270 nan 0.000 0.446 1230 Q N -1.478 118.420 119.800 0.164 0.000 2.226 1230 Q HA -0.202 4.137 4.340 -0.002 0.000 0.204 1230 Q C 1.483 177.605 176.000 0.202 0.000 0.975 1230 Q CA 1.396 57.289 55.803 0.151 0.000 0.866 1230 Q CB -0.228 28.586 28.738 0.128 0.000 0.915 1230 Q HN 0.562 nan 8.270 nan 0.000 0.440 1231 Y N 1.873 122.251 120.300 0.131 0.000 2.163 1231 Y HA -0.209 4.340 4.550 -0.002 0.000 0.288 1231 Y C 1.359 177.391 175.900 0.219 0.000 1.136 1231 Y CA 1.911 60.112 58.100 0.169 0.000 1.147 1231 Y CB -0.171 38.406 38.460 0.195 0.000 0.987 1231 Y HN 0.065 nan 8.280 nan 0.000 0.509 1232 D N 0.044 120.587 120.400 0.238 0.000 2.149 1232 D HA -0.180 4.459 4.640 -0.002 0.000 0.198 1232 D C 1.784 178.139 176.300 0.092 0.000 0.990 1232 D CA 1.744 55.857 54.000 0.188 0.000 0.839 1232 D CB -0.491 40.470 40.800 0.267 0.000 0.948 1232 D HN 0.688 nan 8.370 nan 0.000 0.460 1233 D N 0.110 120.568 120.400 0.098 0.000 2.092 1233 D HA -0.181 4.458 4.640 -0.002 0.000 0.193 1233 D C 1.960 178.283 176.300 0.038 0.000 0.994 1233 D CA 0.748 54.792 54.000 0.073 0.000 0.828 1233 D CB -0.499 40.345 40.800 0.073 0.000 0.963 1233 D HN 0.131 nan 8.370 nan 0.000 0.450 1234 L N 0.107 121.340 121.223 0.017 0.000 1.989 1234 L HA -0.128 4.211 4.340 -0.002 0.000 0.211 1234 L C 2.331 179.177 176.870 -0.040 0.000 1.071 1234 L CA 1.587 56.424 54.840 -0.006 0.000 0.749 1234 L CB -0.601 41.454 42.059 -0.007 0.000 0.890 1234 L HN 0.212 nan 8.230 nan 0.000 0.431 1235 I N -0.557 119.919 120.570 -0.156 0.000 2.264 1235 I HA -0.303 3.866 4.170 -0.002 0.000 0.248 1235 I C 2.241 178.313 176.117 -0.075 0.000 1.111 1235 I CA 1.751 62.929 61.300 -0.203 0.000 1.382 1235 I CB -1.352 36.306 38.000 -0.570 0.000 1.060 1235 I HN 0.408 nan 8.210 nan 0.000 0.418 1236 D N 0.515 120.919 120.400 0.007 0.000 2.117 1236 D HA -0.200 4.439 4.640 -0.002 0.000 0.198 1236 D C 2.249 178.562 176.300 0.021 0.000 0.982 1236 D CA 0.918 54.969 54.000 0.086 0.000 0.828 1236 D CB 0.138 41.034 40.800 0.160 0.000 0.967 1236 D HN 0.272 nan 8.370 nan 0.000 0.464 1237 E N -1.030 119.188 120.200 0.029 0.000 2.110 1237 E HA -0.134 4.215 4.350 -0.002 0.000 0.193 1237 E C 0.664 177.267 176.600 0.004 0.000 0.988 1237 E CA 0.091 56.503 56.400 0.019 0.000 0.804 1237 E CB -0.039 29.679 29.700 0.031 0.000 0.745 1237 E HN 0.235 nan 8.360 nan 0.000 0.458 1241 A N 2.082 124.794 122.820 -0.180 0.000 1.877 1241 A HA -0.080 4.239 4.320 -0.002 0.000 0.216 1241 A C 1.900 179.366 177.584 -0.197 0.000 1.186 1241 A CA 1.459 53.410 52.037 -0.142 0.000 0.620 1241 A CB -0.465 18.488 19.000 -0.078 0.000 0.822 1241 A HN 0.306 nan 8.150 nan 0.000 0.443 1242 I N 0.833 121.192 120.570 -0.351 0.000 2.142 1242 I HA -0.220 3.949 4.170 -0.002 0.000 0.240 1242 I C 2.853 178.878 176.117 -0.153 0.000 1.078 1242 I CA 2.379 63.502 61.300 -0.296 0.000 1.343 1242 I CB -1.718 35.904 38.000 -0.630 0.000 1.046 1242 I HN 0.571 nan 8.210 nan 0.000 0.405 1243 T N -1.809 112.614 114.554 -0.219 0.000 2.821 1243 T HA -0.140 4.209 4.350 -0.002 0.000 0.267 1243 T C 1.569 176.247 174.700 -0.037 0.000 1.046 1243 T CA 1.186 63.237 62.100 -0.081 0.000 1.139 1243 T CB -0.400 68.456 68.868 -0.020 0.000 0.871 1243 T HN 0.140 nan 8.240 nan 0.000 0.454 1244 D N 1.175 121.533 120.400 -0.069 0.000 2.144 1244 D HA -0.054 4.585 4.640 -0.002 0.000 0.199 1244 D C 2.244 178.481 176.300 -0.105 0.000 0.984 1244 D CA 0.989 54.952 54.000 -0.061 0.000 0.834 1244 D CB -0.264 40.501 40.800 -0.059 0.000 0.955 1244 D HN 0.466 nan 8.370 nan 0.000 0.465 1245 R N -0.997 119.387 120.500 -0.194 0.000 2.112 1245 R HA -0.025 4.314 4.340 -0.002 0.000 0.216 1245 R C 1.545 177.606 176.300 -0.398 0.000 1.080 1245 R CA 0.713 56.599 56.100 -0.358 0.000 0.996 1245 R CB 0.014 29.960 30.300 -0.591 0.000 0.902 1245 R HN 0.248 nan 8.270 nan 0.000 0.449 1246 Y N -0.737 119.556 120.300 -0.012 0.000 2.458 1246 Y HA 0.355 4.904 4.550 -0.002 0.000 0.254 1246 Y C 0.654 176.573 175.900 0.031 0.000 1.120 1246 Y CA 0.158 58.271 58.100 0.021 0.000 1.282 1246 Y CB 1.472 39.938 38.460 0.009 0.000 1.109 1246 Y HN 0.309 nan 8.280 nan 0.000 0.526 1247 G N 0.128 109.000 108.800 0.121 0.000 2.528 1247 G HA2 -0.108 3.851 3.960 -0.002 0.000 0.681 1247 G HA3 -0.108 3.851 3.960 -0.002 0.000 0.681 1247 G C -0.086 174.862 174.900 0.080 0.000 1.340 1247 G CA -0.988 44.168 45.100 0.093 0.000 0.855 1247 G HN -0.058 nan 8.290 nan 0.000 0.649 1248 R N 0.646 121.189 120.500 0.072 0.000 2.189 1248 R HA -0.082 4.257 4.340 -0.002 0.000 0.223 1248 R C 1.902 178.255 176.300 0.088 0.000 1.092 1248 R CA 1.653 57.811 56.100 0.098 0.000 0.989 1248 R CB -0.286 30.050 30.300 0.059 0.000 0.876 1248 R HN 0.743 nan 8.270 nan 0.000 0.457 1249 N N -0.438 118.297 118.700 0.058 0.000 2.276 1249 N HA -0.025 4.714 4.740 -0.002 0.000 0.212 1249 N C -0.528 175.021 175.510 0.065 0.000 1.127 1249 N CA -0.086 52.993 53.050 0.048 0.000 0.834 1249 N CB 0.069 38.580 38.487 0.040 0.000 1.014 1249 N HN -0.249 nan 8.380 nan 0.000 0.491 1250 T N 1.487 116.077 114.554 0.061 0.000 2.867 1250 T HA 0.003 4.352 4.350 -0.002 0.000 0.297 1250 T C 0.227 174.947 174.700 0.033 0.000 0.989 1250 T CA -0.346 61.774 62.100 0.033 0.000 1.159 1250 T CB 0.509 69.379 68.868 0.004 0.000 0.928 1250 T HN 0.280 nan 8.240 nan 0.000 0.538 1251 L N 5.557 126.813 121.223 0.055 0.000 2.433 1251 L HA 0.362 4.701 4.340 -0.002 0.000 0.275 1251 L C -0.544 176.368 176.870 0.070 0.000 1.128 1251 L CA -0.129 54.784 54.840 0.122 0.000 0.875 1251 L CB 0.046 42.222 42.059 0.195 0.000 1.171 1251 L HN 0.646 nan 8.230 nan 0.000 0.463 1252 I N 5.741 126.357 120.570 0.076 0.000 2.359 1252 I HA 0.211 4.380 4.170 -0.002 0.000 0.284 1252 I C -0.102 176.017 176.117 0.004 0.000 1.018 1252 I CA -0.286 61.011 61.300 -0.004 0.000 1.173 1252 I CB 1.588 39.564 38.000 -0.041 0.000 1.326 1252 I HN 0.601 nan 8.210 nan 0.000 0.462 1253 Q N 6.404 126.110 119.800 -0.156 0.000 2.360 1253 Q HA 0.366 4.705 4.340 -0.002 0.000 0.254 1253 Q C -1.317 174.514 176.000 -0.281 0.000 0.975 1253 Q CA -0.641 54.902 55.803 -0.434 0.000 0.912 1253 Q CB 0.817 29.289 28.738 -0.443 0.000 1.212 1253 Q HN 0.402 nan 8.270 nan 0.000 0.452 1254 F N 2.753 122.460 119.950 -0.405 0.000 2.427 1254 F HA 0.272 4.798 4.527 -0.001 0.000 0.352 1254 F C 0.339 176.051 175.800 -0.146 0.000 1.100 1254 F CA -0.205 57.654 58.000 -0.235 0.000 1.191 1254 F CB 1.234 40.035 39.000 -0.332 0.000 1.128 1254 F HN 0.555 nan 8.300 nan 0.000 0.533 1255 E N 1.713 121.994 120.200 0.135 0.000 2.263 1255 E HA 0.329 4.678 4.350 -0.002 0.000 0.268 1255 E C -1.256 175.425 176.600 0.136 0.000 0.884 1255 E CA -0.526 55.912 56.400 0.064 0.000 0.766 1255 E CB 0.887 30.534 29.700 -0.089 0.000 1.196 1255 E HN 0.488 nan 8.360 nan 0.000 0.416 1256 D N 2.332 122.786 120.400 0.090 0.000 2.723 1256 D HA -0.219 4.420 4.640 -0.002 0.000 0.236 1256 D C -0.940 175.376 176.300 0.027 0.000 1.138 1256 D CA 0.922 54.940 54.000 0.029 0.000 0.676 1256 D CB -1.363 39.400 40.800 -0.062 0.000 1.069 1256 D HN 0.230 nan 8.370 nan 0.000 0.430 1257 F N 0.541 120.502 119.950 0.019 0.000 2.378 1257 F HA 0.557 5.083 4.527 -0.002 0.000 0.325 1257 F C 1.920 177.739 175.800 0.031 0.000 1.097 1257 F CA 0.041 58.088 58.000 0.079 0.000 1.079 1257 F CB 0.854 39.974 39.000 0.200 0.000 1.240 1257 F HN -0.032 nan 8.300 nan 0.000 0.519 1258 G N 1.420 110.334 108.800 0.190 0.000 2.664 1258 G HA2 -0.087 3.872 3.960 -0.002 0.000 0.242 1258 G HA3 -0.087 3.872 3.960 -0.002 0.000 0.242 1258 G C 0.963 175.938 174.900 0.126 0.000 1.225 1258 G CA -0.313 44.857 45.100 0.116 0.000 0.849 1258 G HN 0.748 nan 8.290 nan 0.000 0.581 1259 N N -0.052 118.717 118.700 0.115 0.000 2.036 1259 N HA -0.250 4.489 4.740 -0.002 0.000 0.195 1259 N C 1.840 177.502 175.510 0.253 0.000 1.037 1259 N CA 2.108 55.254 53.050 0.161 0.000 0.855 1259 N CB -0.421 38.179 38.487 0.188 0.000 1.033 1259 N HN 0.743 nan 8.380 nan 0.000 0.423 1260 H N 0.824 119.969 119.070 0.125 0.000 2.267 1260 H HA 0.003 4.558 4.556 -0.002 0.000 0.297 1260 H C 1.774 177.119 175.328 0.028 0.000 1.080 1260 H CA 2.610 58.719 56.048 0.101 0.000 1.278 1260 H CB -0.743 29.047 29.762 0.046 0.000 1.365 1260 H HN 0.419 nan 8.280 nan 0.000 0.489 1261 N N -0.098 118.495 118.700 -0.178 0.000 2.149 1261 N HA -0.172 4.567 4.740 -0.002 0.000 0.188 1261 N C 2.073 177.338 175.510 -0.408 0.000 1.019 1261 N CA 0.812 53.596 53.050 -0.443 0.000 0.857 1261 N CB -0.190 38.318 38.487 0.036 0.000 0.997 1261 N HN 0.485 nan 8.380 nan 0.000 0.426 1262 A N 1.093 123.843 122.820 -0.117 0.000 1.873 1262 A HA -0.187 4.132 4.320 -0.002 0.000 0.218 1262 A C 1.876 179.243 177.584 -0.361 0.000 1.193 1262 A CA 1.445 53.358 52.037 -0.205 0.000 0.629 1262 A CB -1.040 17.801 19.000 -0.265 0.000 0.826 1262 A HN 0.249 nan 8.150 nan 0.000 0.447 1263 F N 0.311 120.119 119.950 -0.237 0.000 2.113 1263 F HA -0.154 4.372 4.527 -0.001 0.000 0.297 1263 F C 2.674 178.346 175.800 -0.213 0.000 1.103 1263 F CA 1.709 59.542 58.000 -0.278 0.000 1.248 1263 F CB -0.293 38.479 39.000 -0.379 0.000 0.999 1263 F HN 0.286 nan 8.300 nan 0.000 0.475 1264 R N -0.056 120.384 120.500 -0.100 0.000 2.120 1264 R HA -0.177 4.162 4.340 -0.002 0.000 0.234 1264 R C 2.013 178.206 176.300 -0.179 0.000 1.123 1264 R CA 1.848 57.836 56.100 -0.188 0.000 0.975 1264 R CB -1.457 28.598 30.300 -0.408 0.000 0.866 1264 R HN 0.277 nan 8.270 nan 0.000 0.446 1265 F N 0.802 120.629 119.950 -0.205 0.000 2.234 1265 F HA -0.067 4.460 4.527 -0.001 0.000 0.296 1265 F C 2.303 177.908 175.800 -0.325 0.000 1.089 1265 F CA -0.055 57.773 58.000 -0.287 0.000 1.343 1265 F CB -0.103 38.682 39.000 -0.358 0.000 1.040 1265 F HN -0.001 nan 8.300 nan 0.000 0.498 1266 L N 1.080 122.209 121.223 -0.157 0.000 1.989 1266 L HA -0.211 4.128 4.340 -0.002 0.000 0.211 1266 L C 2.535 179.391 176.870 -0.024 0.000 1.071 1266 L CA 1.780 56.537 54.840 -0.138 0.000 0.749 1266 L CB -0.814 41.160 42.059 -0.141 0.000 0.890 1266 L HN 0.003 nan 8.230 nan 0.000 0.431 1267 R N -0.239 120.266 120.500 0.009 0.000 2.091 1267 R HA -0.246 4.093 4.340 -0.002 0.000 0.238 1267 R C 2.472 178.749 176.300 -0.038 0.000 1.136 1267 R CA 2.097 58.220 56.100 0.039 0.000 0.959 1267 R CB -0.336 30.027 30.300 0.106 0.000 0.856 1267 R HN 0.455 nan 8.270 nan 0.000 0.437 1268 K N -0.774 119.546 120.400 -0.133 0.000 2.148 1268 K HA -0.159 4.160 4.320 -0.002 0.000 0.204 1268 K C 1.227 177.620 176.600 -0.345 0.000 1.050 1268 K CA 1.494 57.599 56.287 -0.303 0.000 0.942 1268 K CB 0.031 32.232 32.500 -0.498 0.000 0.724 1268 K HN 0.335 nan 8.250 nan 0.000 0.446 1269 Y N -0.019 120.303 120.300 0.036 0.000 2.498 1269 Y HA 0.102 4.651 4.550 -0.001 0.000 0.259 1269 Y C 2.017 177.973 175.900 0.094 0.000 1.086 1269 Y CA -0.150 58.004 58.100 0.090 0.000 1.287 1269 Y CB 0.250 38.793 38.460 0.138 0.000 1.146 1269 Y HN 0.013 nan 8.280 nan 0.000 0.523 1270 R N 0.689 121.303 120.500 0.190 0.000 2.185 1270 R HA -0.178 4.161 4.340 -0.002 0.000 0.247 1270 R C 0.839 177.210 176.300 0.118 0.000 1.159 1270 R CA 1.833 58.043 56.100 0.183 0.000 0.988 1270 R CB -0.309 30.075 30.300 0.141 0.000 0.871 1270 R HN 0.230 nan 8.270 nan 0.000 0.458 1271 E N 0.460 120.643 120.200 -0.029 0.000 2.452 1271 E HA 0.019 4.368 4.350 -0.002 0.000 0.197 1271 E C 1.135 177.492 176.600 -0.404 0.000 1.022 1271 E CA 0.444 56.645 56.400 -0.331 0.000 0.890 1271 E CB 0.531 30.093 29.700 -0.229 0.000 0.918 1271 E HN 0.454 nan 8.360 nan 0.000 0.496 1272 K N -0.741 119.603 120.400 -0.093 0.000 2.348 1272 K HA 0.099 4.418 4.320 -0.002 0.000 0.194 1272 K C -0.108 176.380 176.600 -0.186 0.000 1.052 1272 K CA 0.261 56.446 56.287 -0.171 0.000 1.004 1272 K CB 0.652 32.941 32.500 -0.351 0.000 0.873 1272 K HN -0.082 nan 8.250 nan 0.000 0.523 1273 Y N -1.504 118.979 120.300 0.306 0.000 2.634 1273 Y HA 0.296 4.845 4.550 -0.001 0.000 0.340 1273 Y C -0.725 175.320 175.900 0.242 0.000 1.058 1273 Y CA -1.487 56.731 58.100 0.197 0.000 1.081 1273 Y CB 1.464 39.972 38.460 0.081 0.000 1.295 1273 Y HN -0.187 nan 8.280 nan 0.000 0.487 1274 C N 2.321 121.804 119.300 0.306 0.000 2.158 1274 C HA 0.608 5.067 4.460 -0.002 0.000 0.350 1274 C C 0.041 175.199 174.990 0.279 0.000 1.064 1274 C CA 0.230 59.384 59.018 0.226 0.000 1.507 1274 C CB -2.061 25.755 27.740 0.127 0.000 1.934 1274 C HN 0.700 nan 8.230 nan 0.000 0.479 1275 T N 4.484 119.241 114.554 0.339 0.000 2.883 1275 T HA 0.825 5.174 4.350 -0.002 0.000 0.301 1275 T C -1.058 173.901 174.700 0.432 0.000 1.158 1275 T CA -0.383 61.917 62.100 0.332 0.000 1.007 1275 T CB 1.362 70.372 68.868 0.237 0.000 1.186 1275 T HN 0.969 nan 8.240 nan 0.000 0.499 1276 F N 1.162 121.237 119.950 0.207 0.000 2.713 1276 F HA 0.641 5.167 4.527 -0.002 0.000 0.311 1276 F C -1.470 174.402 175.800 0.119 0.000 1.141 1276 F CA -1.156 56.950 58.000 0.178 0.000 0.939 1276 F CB 1.339 40.559 39.000 0.367 0.000 1.325 1276 F HN 0.508 nan 8.300 nan 0.000 0.453 1277 N N 1.839 120.589 118.700 0.083 0.000 2.417 1277 N HA 0.145 4.884 4.740 -0.002 0.000 0.274 1277 N C -0.318 175.224 175.510 0.054 0.000 0.987 1277 N CA -0.150 52.860 53.050 -0.066 0.000 0.912 1277 N CB 1.695 40.092 38.487 -0.149 0.000 1.177 1277 N HN 0.957 nan 8.380 nan 0.000 0.490 1278 D N 2.275 122.672 120.400 -0.005 0.000 2.178 1278 D HA -0.094 4.545 4.640 -0.002 0.000 0.202 1278 D C 0.620 176.969 176.300 0.082 0.000 0.974 1278 D CA 1.301 55.395 54.000 0.156 0.000 0.841 1278 D CB 0.402 41.203 40.800 0.001 0.000 0.953 1278 D HN 0.546 nan 8.370 nan 0.000 0.478 1279 D N -0.752 119.646 120.400 -0.002 0.000 2.289 1279 D HA 0.006 4.645 4.640 -0.002 0.000 0.207 1279 D C 1.968 178.222 176.300 -0.077 0.000 0.966 1279 D CA 0.384 54.369 54.000 -0.026 0.000 0.868 1279 D CB 0.592 41.367 40.800 -0.042 0.000 0.943 1279 D HN 0.386 nan 8.370 nan 0.000 0.514 1280 I N 0.222 120.708 120.570 -0.141 0.000 2.685 1280 I HA -0.113 4.057 4.170 -0.002 0.000 0.251 1280 I C 2.202 178.214 176.117 -0.176 0.000 1.102 1280 I CA 0.427 61.607 61.300 -0.200 0.000 1.442 1280 I CB 0.131 37.921 38.000 -0.349 0.000 1.194 1280 I HN -0.216 nan 8.210 nan 0.000 0.448 1281 Q N 0.592 120.239 119.800 -0.255 0.000 2.165 1281 Q HA 0.063 4.403 4.340 -0.002 0.000 0.197 1281 Q C 2.251 178.010 176.000 -0.402 0.000 0.952 1281 Q CA 1.169 56.627 55.803 -0.574 0.000 0.848 1281 Q CB -0.209 27.766 28.738 -1.272 0.000 0.931 1281 Q HN 0.532 nan 8.270 nan 0.000 0.470 1282 G N 0.472 109.248 108.800 -0.040 0.000 2.404 1282 G HA2 -0.229 3.730 3.960 -0.002 0.000 0.215 1282 G HA3 -0.229 3.730 3.960 -0.002 0.000 0.215 1282 G C 1.405 176.425 174.900 0.199 0.000 1.174 1282 G CA 1.339 46.589 45.100 0.251 0.000 0.780 1282 G HN 0.231 nan 8.290 nan 0.000 0.537 1283 T N 1.593 116.227 114.554 0.132 0.000 2.788 1283 T HA 0.052 4.401 4.350 -0.002 0.000 0.268 1283 T C 2.793 177.566 174.700 0.122 0.000 1.044 1283 T CA 1.366 63.542 62.100 0.125 0.000 1.139 1283 T CB -0.298 68.622 68.868 0.085 0.000 0.867 1283 T HN 0.368 nan 8.240 nan 0.000 0.454 1284 A N 1.514 124.377 122.820 0.070 0.000 1.877 1284 A HA 0.119 4.438 4.320 -0.002 0.000 0.216 1284 A C 2.640 180.305 177.584 0.135 0.000 1.186 1284 A CA 1.847 53.932 52.037 0.080 0.000 0.620 1284 A CB -1.097 17.905 19.000 0.003 0.000 0.822 1284 A HN 0.506 nan 8.150 nan 0.000 0.443 1285 A N -0.584 122.331 122.820 0.158 0.000 1.930 1285 A HA 0.048 4.367 4.320 -0.002 0.000 0.217 1285 A C 2.182 179.885 177.584 0.199 0.000 1.175 1285 A CA 1.780 53.939 52.037 0.203 0.000 0.627 1285 A CB -0.778 18.399 19.000 0.294 0.000 0.815 1285 A HN 0.455 nan 8.150 nan 0.000 0.443 1286 V N -0.342 119.692 119.914 0.201 0.000 2.379 1286 V HA -0.137 3.982 4.120 -0.002 0.000 0.245 1286 V C 2.967 179.253 176.094 0.320 0.000 1.044 1286 V CA 1.602 64.024 62.300 0.203 0.000 1.036 1286 V CB -1.410 30.474 31.823 0.101 0.000 0.664 1286 V HN 0.565 nan 8.190 nan 0.000 0.453 1287 A N 0.542 123.536 122.820 0.291 0.000 1.858 1287 A HA -0.205 4.114 4.320 -0.002 0.000 0.216 1287 A C 2.197 179.992 177.584 0.351 0.000 1.190 1287 A CA 2.169 54.444 52.037 0.397 0.000 0.617 1287 A CB -0.701 18.506 19.000 0.344 0.000 0.827 1287 A HN 0.442 nan 8.150 nan 0.000 0.443 1288 L N -0.008 121.354 121.223 0.232 0.000 2.013 1288 L HA -0.158 4.181 4.340 -0.002 0.000 0.212 1288 L C 2.664 179.618 176.870 0.139 0.000 1.073 1288 L CA 2.451 57.384 54.840 0.154 0.000 0.753 1288 L CB -0.904 41.232 42.059 0.128 0.000 0.890 1288 L HN 0.371 nan 8.230 nan 0.000 0.432 1289 A N -0.630 122.294 122.820 0.174 0.000 1.940 1289 A HA -0.130 4.190 4.320 -0.002 0.000 0.219 1289 A C 2.335 179.925 177.584 0.010 0.000 1.176 1289 A CA 1.739 53.851 52.037 0.125 0.000 0.631 1289 A CB -1.585 17.537 19.000 0.204 0.000 0.814 1289 A HN 0.575 nan 8.150 nan 0.000 0.446 1290 G N -0.526 108.313 108.800 0.065 0.000 2.402 1290 G HA2 -0.036 3.923 3.960 -0.002 0.000 0.216 1290 G HA3 -0.036 3.923 3.960 -0.002 0.000 0.216 1290 G C 1.328 176.276 174.900 0.081 0.000 1.162 1290 G CA 1.027 46.030 45.100 -0.162 0.000 0.777 1290 G HN 0.339 nan 8.290 nan 0.000 0.539 1291 L N 0.153 121.441 121.223 0.107 0.000 2.046 1291 L HA 0.024 4.363 4.340 -0.002 0.000 0.208 1291 L C 2.761 179.604 176.870 -0.044 0.000 1.077 1291 L CA 0.922 55.725 54.840 -0.060 0.000 0.747 1291 L CB -1.006 40.978 42.059 -0.126 0.000 0.896 1291 L HN 0.091 nan 8.230 nan 0.000 0.432 1292 L N -0.758 120.456 121.223 -0.016 0.000 2.131 1292 L HA -0.125 4.214 4.340 -0.002 0.000 0.210 1292 L C 2.573 179.432 176.870 -0.019 0.000 1.092 1292 L CA 1.837 56.672 54.840 -0.009 0.000 0.759 1292 L CB -1.430 40.632 42.059 0.005 0.000 0.903 1292 L HN 0.235 nan 8.230 nan 0.000 0.435 1293 A N -0.785 122.003 122.820 -0.053 0.000 1.872 1293 A HA -0.055 4.264 4.320 -0.002 0.000 0.214 1293 A C 2.518 180.086 177.584 -0.026 0.000 1.187 1293 A CA 1.487 53.485 52.037 -0.065 0.000 0.614 1293 A CB -0.888 18.017 19.000 -0.158 0.000 0.826 1293 A HN 0.353 nan 8.150 nan 0.000 0.442 1294 A N -0.631 122.181 122.820 -0.014 0.000 1.883 1294 A HA -0.270 4.049 4.320 -0.002 0.000 0.217 1294 A C 2.158 179.756 177.584 0.023 0.000 1.186 1294 A CA 2.321 54.368 52.037 0.016 0.000 0.624 1294 A CB -0.650 18.358 19.000 0.013 0.000 0.822 1294 A HN 0.549 nan 8.150 nan 0.000 0.444 1295 Q N -0.101 119.712 119.800 0.022 0.000 2.181 1295 Q HA -0.174 4.165 4.340 -0.002 0.000 0.205 1295 Q C 1.700 177.728 176.000 0.046 0.000 0.980 1295 Q CA 1.880 57.719 55.803 0.060 0.000 0.862 1295 Q CB -0.198 28.587 28.738 0.080 0.000 0.905 1295 Q HN 0.477 nan 8.270 nan 0.000 0.429 1296 K N -0.364 120.052 120.400 0.028 0.000 2.360 1296 K HA -0.050 4.269 4.320 -0.002 0.000 0.201 1296 K C 1.758 178.374 176.600 0.026 0.000 1.046 1296 K CA 1.254 57.555 56.287 0.023 0.000 0.945 1296 K CB -0.138 32.370 32.500 0.013 0.000 0.750 1296 K HN 0.425 nan 8.250 nan 0.000 0.464 1297 V N -3.355 116.577 119.914 0.031 0.000 3.645 1297 V HA 0.209 4.328 4.120 -0.002 0.000 0.275 1297 V C 1.556 177.672 176.094 0.037 0.000 1.356 1297 V CA 0.184 62.505 62.300 0.035 0.000 1.051 1297 V CB -0.074 31.776 31.823 0.044 0.000 0.828 1297 V HN 0.025 nan 8.190 nan 0.000 0.441 1298 I N 0.203 120.797 120.570 0.039 0.000 3.172 1298 I HA 0.198 4.367 4.170 -0.002 0.000 0.278 1298 I C 1.224 177.358 176.117 0.029 0.000 1.174 1298 I CA 0.656 61.979 61.300 0.038 0.000 1.445 1298 I CB 0.257 38.287 38.000 0.051 0.000 1.175 1298 I HN 0.304 nan 8.210 nan 0.000 0.447 1299 S N 2.224 117.944 115.700 0.033 0.000 3.524 1299 S HA -0.222 4.247 4.470 -0.002 0.000 0.377 1299 S C 0.261 174.854 174.600 -0.011 0.000 0.949 1299 S CA 0.662 58.872 58.200 0.017 0.000 1.264 1299 S CB -1.374 61.832 63.200 0.010 0.000 0.918 1299 S HN 0.489 nan 8.310 nan 0.000 0.517 1300 K N 1.334 121.720 120.400 -0.023 0.000 2.227 1300 K HA 0.382 4.701 4.320 -0.002 0.000 0.280 1300 K C -2.784 173.657 176.600 -0.264 0.000 1.041 1300 K CA -2.272 53.941 56.287 -0.123 0.000 0.905 1300 K CB 0.648 33.085 32.500 -0.106 0.000 1.068 1300 K HN -0.080 nan 8.250 nan 0.000 0.470 1301 P HA -0.101 nan 4.420 nan 0.000 0.256 1301 P C 0.496 177.616 177.300 -0.300 0.000 1.173 1301 P CA 0.072 63.063 63.100 -0.181 0.000 0.768 1301 P CB 0.284 31.918 31.700 -0.109 0.000 0.758 1302 I N 4.698 125.135 120.570 -0.221 0.000 2.367 1302 I HA -0.355 3.814 4.170 -0.002 0.000 0.256 1302 I C 1.795 177.870 176.117 -0.069 0.000 1.132 1302 I CA 2.279 63.498 61.300 -0.133 0.000 1.397 1302 I CB -0.559 37.458 38.000 0.029 0.000 1.074 1302 I HN 0.340 nan 8.210 nan 0.000 0.435 1303 S N 0.451 116.110 115.700 -0.069 0.000 2.406 1303 S HA -0.180 4.289 4.470 -0.002 0.000 0.228 1303 S C 1.594 176.182 174.600 -0.021 0.000 1.020 1303 S CA 0.810 58.997 58.200 -0.021 0.000 0.965 1303 S CB -0.845 62.343 63.200 -0.020 0.000 0.798 1303 S HN 0.793 nan 8.310 nan 0.000 0.488 1304 E N 0.405 120.555 120.200 -0.084 0.000 2.403 1304 E HA 0.140 4.489 4.350 -0.002 0.000 0.187 1304 E C -0.240 176.352 176.600 -0.013 0.000 1.073 1304 E CA -0.391 55.977 56.400 -0.053 0.000 0.888 1304 E CB -0.518 29.138 29.700 -0.073 0.000 1.035 1304 E HN 0.682 nan 8.360 nan 0.000 0.471 1305 H N 1.196 120.281 119.070 0.025 0.000 2.580 1305 H HA 0.285 4.840 4.556 -0.002 0.000 0.322 1305 H C -0.777 174.583 175.328 0.054 0.000 1.082 1305 H CA -0.624 55.439 56.048 0.025 0.000 1.383 1305 H CB 1.027 30.804 29.762 0.026 0.000 1.450 1305 H HN -0.081 nan 8.280 nan 0.000 0.505 1306 K N 4.050 124.562 120.400 0.187 0.000 2.640 1306 K HA 0.299 4.618 4.320 -0.002 0.000 0.245 1306 K C -1.848 174.816 176.600 0.107 0.000 0.962 1306 K CA -0.456 55.931 56.287 0.167 0.000 0.896 1306 K CB 0.416 32.991 32.500 0.124 0.000 1.147 1306 K HN 0.379 nan 8.250 nan 0.000 0.445 1307 I N 4.472 125.122 120.570 0.132 0.000 2.336 1307 I HA 0.380 4.549 4.170 -0.002 0.000 0.292 1307 I C -0.933 175.250 176.117 0.109 0.000 0.991 1307 I CA -0.835 60.469 61.300 0.007 0.000 1.227 1307 I CB 1.400 39.348 38.000 -0.086 0.000 1.366 1307 I HN 0.455 nan 8.210 nan 0.000 0.466 1308 L N 7.488 128.713 121.223 0.003 0.000 2.325 1308 L HA 0.611 4.950 4.340 -0.002 0.000 0.281 1308 L C -1.400 175.551 176.870 0.136 0.000 1.004 1308 L CA -0.071 54.871 54.840 0.170 0.000 0.823 1308 L CB 0.607 42.724 42.059 0.096 0.000 1.236 1308 L HN 0.272 nan 8.230 nan 0.000 0.415 1309 F N 5.071 125.215 119.950 0.324 0.000 2.404 1309 F HA 0.482 5.008 4.527 -0.002 0.000 0.339 1309 F C -0.113 175.898 175.800 0.351 0.000 1.105 1309 F CA -0.437 57.726 58.000 0.271 0.000 1.087 1309 F CB 1.671 40.760 39.000 0.148 0.000 1.143 1309 F HN 0.377 nan 8.300 nan 0.000 0.491 1310 L N 3.891 125.334 121.223 0.366 0.000 2.264 1310 L HA 0.779 5.118 4.340 -0.002 0.000 0.287 1310 L C -0.039 176.932 176.870 0.169 0.000 1.039 1310 L CA 0.174 55.071 54.840 0.096 0.000 0.829 1310 L CB 0.127 41.996 42.059 -0.317 0.000 1.211 1310 L HN 0.748 nan 8.230 nan 0.000 0.427 1311 G N 3.699 112.639 108.800 0.234 0.000 2.629 1311 G HA2 0.409 4.368 3.960 -0.002 0.000 0.686 1311 G HA3 0.409 4.368 3.960 -0.002 0.000 0.686 1311 G C -0.563 174.424 174.900 0.146 0.000 1.232 1311 G CA -0.353 44.837 45.100 0.149 0.000 0.803 1311 G HN 1.578 nan 8.290 nan 0.000 0.638 1312 A N 0.351 123.216 122.820 0.077 0.000 3.165 1312 A HA 0.834 5.153 4.320 -0.002 0.000 0.212 1312 A C 0.858 178.453 177.584 0.018 0.000 0.935 1312 A CA 0.908 52.954 52.037 0.016 0.000 1.100 1312 A CB -0.024 19.004 19.000 0.046 0.000 1.260 1312 A HN 2.311 nan 8.150 nan 0.000 0.532 1313 G N -0.560 108.265 108.800 0.042 0.000 3.099 1313 G HA2 0.441 4.400 3.960 -0.002 0.000 0.151 1313 G HA3 0.441 4.400 3.960 -0.002 0.000 0.151 1313 G C 0.601 175.620 174.900 0.199 0.000 1.265 1313 G CA 0.253 45.429 45.100 0.128 0.000 0.981 1313 G HN 0.278 nan 8.290 nan 0.000 0.601 1314 E N -0.093 120.209 120.200 0.170 0.000 2.048 1314 E HA -0.249 4.100 4.350 -0.002 0.000 0.202 1314 E C 2.763 179.348 176.600 -0.026 0.000 1.021 1314 E CA 1.576 57.954 56.400 -0.036 0.000 0.825 1314 E CB -0.262 29.313 29.700 -0.208 0.000 0.756 1314 E HN 0.363 nan 8.360 nan 0.000 0.454 1315 A N 1.244 124.053 122.820 -0.019 0.000 1.873 1315 A HA -0.042 4.277 4.320 -0.002 0.000 0.215 1315 A C 2.392 179.942 177.584 -0.058 0.000 1.186 1315 A CA 1.655 53.686 52.037 -0.010 0.000 0.616 1315 A CB -0.696 18.325 19.000 0.035 0.000 0.823 1315 A HN 0.300 nan 8.150 nan 0.000 0.442 1316 A N -0.090 122.655 122.820 -0.125 0.000 1.883 1316 A HA -0.080 4.239 4.320 -0.002 0.000 0.217 1316 A C 2.182 179.390 177.584 -0.627 0.000 1.186 1316 A CA 1.602 53.340 52.037 -0.499 0.000 0.624 1316 A CB -0.704 18.050 19.000 -0.411 0.000 0.822 1316 A HN 0.468 nan 8.150 nan 0.000 0.444 1317 L N -0.773 120.274 121.223 -0.294 0.000 2.083 1317 L HA -0.106 4.233 4.340 -0.002 0.000 0.209 1317 L C 2.831 179.633 176.870 -0.114 0.000 1.083 1317 L CA 1.013 55.732 54.840 -0.203 0.000 0.752 1317 L CB -0.813 41.241 42.059 -0.009 0.000 0.899 1317 L HN 0.506 nan 8.230 nan 0.000 0.433 1318 G N 0.433 109.200 108.800 -0.056 0.000 2.421 1318 G HA2 -0.197 3.762 3.960 -0.002 0.000 0.216 1318 G HA3 -0.197 3.762 3.960 -0.002 0.000 0.216 1318 G C 1.578 176.452 174.900 -0.043 0.000 1.171 1318 G CA 0.683 45.759 45.100 -0.041 0.000 0.775 1318 G HN 0.277 nan 8.290 nan 0.000 0.543 1319 I N 1.396 121.929 120.570 -0.062 0.000 2.202 1319 I HA -0.122 4.047 4.170 -0.002 0.000 0.242 1319 I C 3.326 179.448 176.117 0.008 0.000 1.091 1319 I CA 0.863 62.189 61.300 0.043 0.000 1.368 1319 I CB -0.354 37.781 38.000 0.226 0.000 1.058 1319 I HN 0.233 nan 8.210 nan 0.000 0.410 1320 A N 1.319 123.970 122.820 -0.281 0.000 1.873 1320 A HA -0.265 4.054 4.320 -0.002 0.000 0.218 1320 A C 2.138 179.703 177.584 -0.031 0.000 1.193 1320 A CA 2.190 54.008 52.037 -0.366 0.000 0.629 1320 A CB -0.939 17.306 19.000 -1.258 0.000 0.826 1320 A HN 0.463 nan 8.150 nan 0.000 0.447 1321 N N -0.652 118.073 118.700 0.043 0.000 2.149 1321 N HA -0.139 4.600 4.740 -0.002 0.000 0.188 1321 N C 1.573 177.170 175.510 0.145 0.000 1.019 1321 N CA 1.481 54.647 53.050 0.193 0.000 0.857 1321 N CB -0.268 38.324 38.487 0.174 0.000 0.997 1321 N HN 0.355 nan 8.380 nan 0.000 0.426 1322 L N 1.374 122.660 121.223 0.104 0.000 2.131 1322 L HA 0.078 4.417 4.340 -0.002 0.000 0.206 1322 L C 2.099 179.037 176.870 0.112 0.000 1.087 1322 L CA 0.807 55.712 54.840 0.108 0.000 0.767 1322 L CB -0.329 41.791 42.059 0.102 0.000 0.917 1322 L HN 0.084 nan 8.230 nan 0.000 0.441 1323 I N -1.521 119.120 120.570 0.120 0.000 2.179 1323 I HA -0.232 3.937 4.170 -0.002 0.000 0.242 1323 I C 1.248 177.440 176.117 0.126 0.000 1.088 1323 I CA 0.304 61.672 61.300 0.113 0.000 1.357 1323 I CB -0.319 37.758 38.000 0.128 0.000 1.051 1323 I HN -0.099 nan 8.210 nan 0.000 0.409 1329 E N 0.894 121.128 120.200 0.058 0.000 2.515 1329 E HA -0.102 4.247 4.350 -0.002 0.000 0.201 1329 E C 0.738 177.367 176.600 0.049 0.000 1.071 1329 E CA 0.903 57.336 56.400 0.054 0.000 0.880 1329 E CB 0.106 29.840 29.700 0.057 0.000 0.828 1329 E HN 0.553 nan 8.360 nan 0.000 0.540 1330 N N -0.771 117.960 118.700 0.051 0.000 2.433 1330 N HA 0.130 4.869 4.740 -0.002 0.000 0.270 1330 N C 0.131 175.668 175.510 0.044 0.000 1.354 1330 N CA 0.636 53.714 53.050 0.048 0.000 0.889 1330 N CB 1.453 39.973 38.487 0.055 0.000 1.285 1330 N HN 0.288 nan 8.380 nan 0.000 0.503 1331 G N 0.410 109.234 108.800 0.040 0.000 3.626 1331 G HA2 -0.245 3.714 3.960 -0.002 0.000 0.241 1331 G HA3 -0.245 3.714 3.960 -0.002 0.000 0.241 1331 G C -0.297 174.623 174.900 0.034 0.000 1.824 1331 G CA -0.570 44.550 45.100 0.034 0.000 1.511 1331 G HN 0.181 nan 8.290 nan 0.000 0.600 1332 L N 2.711 123.958 121.223 0.040 0.000 2.586 1332 L HA 0.348 4.687 4.340 -0.002 0.000 0.307 1332 L C 1.681 178.572 176.870 0.036 0.000 1.274 1332 L CA 0.985 55.849 54.840 0.039 0.000 0.857 1332 L CB 0.082 42.173 42.059 0.053 0.000 1.099 1332 L HN 1.008 nan 8.230 nan 0.000 0.525 1333 S N 0.684 116.401 115.700 0.028 0.000 2.652 1333 S HA 0.247 4.716 4.470 -0.002 0.000 0.270 1333 S C 0.961 175.575 174.600 0.024 0.000 1.243 1333 S CA -0.240 57.973 58.200 0.022 0.000 0.999 1333 S CB 1.006 64.212 63.200 0.010 0.000 0.973 1333 S HN 0.690 nan 8.310 nan 0.000 0.544 1334 E N 0.351 120.562 120.200 0.019 0.000 2.085 1334 E HA -0.307 4.042 4.350 -0.002 0.000 0.194 1334 E C 1.926 178.523 176.600 -0.005 0.000 0.994 1334 E CA 1.574 57.983 56.400 0.016 0.000 0.801 1334 E CB -0.239 29.463 29.700 0.004 0.000 0.743 1334 E HN 0.748 nan 8.360 nan 0.000 0.453 1335 Q N 0.892 120.682 119.800 -0.018 0.000 2.084 1335 Q HA -0.220 4.119 4.340 -0.002 0.000 0.202 1335 Q C 1.844 177.829 176.000 -0.025 0.000 0.978 1335 Q CA 2.408 58.190 55.803 -0.035 0.000 0.844 1335 Q CB -0.121 28.597 28.738 -0.034 0.000 0.898 1335 Q HN 0.590 nan 8.270 nan 0.000 0.426 1336 E N -1.313 118.883 120.200 -0.006 0.000 2.285 1336 E HA -0.031 4.318 4.350 -0.002 0.000 0.194 1336 E C 1.695 178.312 176.600 0.028 0.000 0.997 1336 E CA 0.750 57.150 56.400 -0.000 0.000 0.845 1336 E CB -0.182 29.522 29.700 0.007 0.000 0.782 1336 E HN 0.342 nan 8.360 nan 0.000 0.491 1337 A N 1.749 124.598 122.820 0.049 0.000 1.898 1337 A HA -0.157 4.162 4.320 -0.002 0.000 0.214 1337 A C 2.154 179.819 177.584 0.135 0.000 1.183 1337 A CA 1.175 53.269 52.037 0.095 0.000 0.622 1337 A CB -0.375 18.687 19.000 0.103 0.000 0.824 1337 A HN 0.249 nan 8.150 nan 0.000 0.444 1338 Q N -0.655 119.204 119.800 0.098 0.000 2.291 1338 Q HA -0.144 4.195 4.340 -0.002 0.000 0.206 1338 Q C 1.697 177.804 176.000 0.178 0.000 0.976 1338 Q CA 1.344 57.219 55.803 0.120 0.000 0.875 1338 Q CB -0.147 28.493 28.738 -0.163 0.000 0.927 1338 Q HN 0.371 nan 8.270 nan 0.000 0.450 1339 K N 1.061 121.477 120.400 0.026 0.000 2.288 1339 K HA -0.027 4.292 4.320 -0.002 0.000 0.201 1339 K C 1.196 177.714 176.600 -0.137 0.000 1.048 1339 K CA 0.876 57.020 56.287 -0.238 0.000 0.956 1339 K CB 0.266 32.631 32.500 -0.224 0.000 0.746 1339 K HN 0.053 nan 8.250 nan 0.000 0.461 1340 K N -0.089 120.361 120.400 0.082 0.000 2.487 1340 K HA 0.148 4.467 4.320 -0.002 0.000 0.192 1340 K C -0.285 176.484 176.600 0.281 0.000 1.027 1340 K CA 0.268 56.662 56.287 0.179 0.000 1.054 1340 K CB 0.288 32.894 32.500 0.176 0.000 0.824 1340 K HN 0.075 nan 8.250 nan 0.000 0.510 1341 I N 0.570 121.331 120.570 0.319 0.000 2.389 1341 I HA 0.254 4.423 4.170 -0.002 0.000 0.288 1341 I C -0.745 175.593 176.117 0.370 0.000 0.999 1341 I CA -0.891 60.656 61.300 0.410 0.000 1.129 1341 I CB 0.919 39.190 38.000 0.451 0.000 1.288 1341 I HN -0.058 nan 8.210 nan 0.000 0.444 1345 D N 4.195 124.689 120.400 0.157 0.000 2.589 1345 D HA 0.247 4.886 4.640 -0.002 0.000 0.268 1345 D C 0.754 177.072 176.300 0.030 0.000 1.182 1345 D CA -0.452 53.621 54.000 0.122 0.000 1.087 1345 D CB 0.428 41.259 40.800 0.052 0.000 1.186 1345 D HN 0.553 nan 8.370 nan 0.000 0.620 1346 K N -0.966 119.353 120.400 -0.135 0.000 2.442 1346 K HA -0.137 4.182 4.320 -0.002 0.000 0.198 1346 K C 0.855 177.234 176.600 -0.368 0.000 1.044 1346 K CA 1.184 57.307 56.287 -0.273 0.000 0.948 1346 K CB -0.505 31.718 32.500 -0.462 0.000 0.762 1346 K HN 0.468 nan 8.250 nan 0.000 0.472 1347 Y N 0.582 120.862 120.300 -0.033 0.000 2.445 1347 Y HA 0.252 4.801 4.550 -0.002 0.000 0.247 1347 Y C 1.111 176.904 175.900 -0.179 0.000 1.129 1347 Y CA -0.185 57.876 58.100 -0.065 0.000 1.251 1347 Y CB 1.546 39.975 38.460 -0.051 0.000 1.176 1347 Y HN 0.337 nan 8.280 nan 0.000 0.522 1348 G N 0.461 109.061 108.800 -0.333 0.000 2.331 1348 G HA2 -0.056 3.903 3.960 -0.002 0.000 0.402 1348 G HA3 -0.056 3.903 3.960 -0.002 0.000 0.402 1348 G C -1.747 172.583 174.900 -0.951 0.000 1.275 1348 G CA -1.161 43.427 45.100 -0.853 0.000 1.003 1348 G HN -0.013 nan 8.290 nan 0.000 0.500 1349 L N 0.421 121.203 121.223 -0.736 0.000 2.485 1349 L HA 0.470 4.809 4.340 -0.002 0.000 0.275 1349 L C 0.859 177.730 176.870 0.001 0.000 1.207 1349 L CA -0.154 54.589 54.840 -0.161 0.000 0.855 1349 L CB 0.283 42.411 42.059 0.114 0.000 1.114 1349 L HN 0.465 nan 8.230 nan 0.000 0.485 1350 L N 6.904 128.201 121.223 0.124 0.000 2.312 1350 L HA 0.309 4.648 4.340 -0.002 0.000 0.287 1350 L C -0.355 176.590 176.870 0.125 0.000 1.091 1350 L CA -0.483 54.416 54.840 0.097 0.000 0.846 1350 L CB 0.194 42.305 42.059 0.087 0.000 1.219 1350 L HN 0.524 nan 8.230 nan 0.000 0.439 1351 V N 0.566 120.540 119.914 0.100 0.000 2.823 1351 V HA 0.462 4.581 4.120 -0.002 0.000 0.312 1351 V C 0.039 176.165 176.094 0.052 0.000 1.072 1351 V CA -1.367 61.003 62.300 0.117 0.000 0.937 1351 V CB 2.005 33.927 31.823 0.164 0.000 1.013 1351 V HN 0.565 nan 8.190 nan 0.000 0.430 1352 K N 2.116 122.540 120.400 0.041 0.000 2.472 1352 K HA 0.394 4.713 4.320 -0.002 0.000 0.280 1352 K C 1.195 177.805 176.600 0.017 0.000 1.028 1352 K CA 1.214 57.509 56.287 0.014 0.000 1.045 1352 K CB 0.330 32.837 32.500 0.012 0.000 0.902 1352 K HN 1.614 nan 8.250 nan 0.000 0.478 1353 G N 2.530 111.330 108.800 0.001 0.000 2.157 1353 G HA2 -0.309 3.650 3.960 -0.002 0.000 0.239 1353 G HA3 -0.309 3.650 3.960 -0.002 0.000 0.239 1353 G C 0.055 174.952 174.900 -0.006 0.000 0.982 1353 G CA 0.384 45.482 45.100 -0.003 0.000 0.650 1353 G HN 0.721 nan 8.290 nan 0.000 0.527 1354 R N -0.257 120.240 120.500 -0.005 0.000 2.707 1354 R HA 0.616 4.956 4.340 -0.002 0.000 0.270 1354 R C 1.301 177.577 176.300 -0.040 0.000 1.083 1354 R CA -0.105 55.987 56.100 -0.014 0.000 1.182 1354 R CB 0.584 30.880 30.300 -0.006 0.000 1.084 1354 R HN -0.072 nan 8.270 nan 0.000 0.528 1355 K N 0.505 120.871 120.400 -0.057 0.000 2.211 1355 K HA 0.019 4.338 4.320 -0.002 0.000 0.203 1355 K C 0.676 177.191 176.600 -0.141 0.000 1.050 1355 K CA 1.192 57.427 56.287 -0.087 0.000 0.945 1355 K CB -0.271 32.176 32.500 -0.088 0.000 0.732 1355 K HN 0.705 nan 8.250 nan 0.000 0.451 1356 A N 2.922 125.641 122.820 -0.168 0.000 2.363 1356 A HA 0.209 4.528 4.320 -0.002 0.000 0.270 1356 A C 0.092 177.606 177.584 -0.116 0.000 1.121 1356 A CA -0.616 51.269 52.037 -0.253 0.000 0.800 1356 A CB 0.346 19.187 19.000 -0.265 0.000 1.052 1356 A HN 0.005 nan 8.150 nan 0.000 0.493 1357 K N 1.179 121.515 120.400 -0.107 0.000 2.508 1357 K HA 0.121 4.441 4.320 -0.002 0.000 0.273 1357 K C -0.374 176.220 176.600 -0.011 0.000 0.964 1357 K CA 0.347 56.605 56.287 -0.048 0.000 0.948 1357 K CB 0.219 32.698 32.500 -0.036 0.000 0.917 1357 K HN 0.485 nan 8.250 nan 0.000 0.512 1358 I N 2.772 123.332 120.570 -0.017 0.000 2.531 1358 I HA 0.006 4.175 4.170 -0.002 0.000 0.283 1358 I C -0.216 175.886 176.117 -0.026 0.000 1.083 1358 I CA -1.072 60.221 61.300 -0.012 0.000 1.071 1358 I CB 1.406 39.393 38.000 -0.022 0.000 1.210 1358 I HN 0.680 nan 8.210 nan 0.000 0.450 1359 D N 3.467 123.856 120.400 -0.019 0.000 2.398 1359 D HA 0.081 4.720 4.640 -0.002 0.000 0.247 1359 D C 1.200 177.453 176.300 -0.079 0.000 1.227 1359 D CA -0.326 53.652 54.000 -0.037 0.000 0.980 1359 D CB 0.788 41.586 40.800 -0.004 0.000 1.106 1359 D HN 0.301 nan 8.370 nan 0.000 0.493 1360 S N -0.774 114.835 115.700 -0.151 0.000 2.374 1360 S HA -0.250 4.219 4.470 -0.002 0.000 0.227 1360 S C 1.831 176.259 174.600 -0.287 0.000 1.037 1360 S CA 1.115 59.158 58.200 -0.261 0.000 1.024 1360 S CB -0.758 62.204 63.200 -0.396 0.000 0.861 1360 S HN 0.529 nan 8.310 nan 0.000 0.456 1361 Y N 1.287 121.489 120.300 -0.163 0.000 2.293 1361 Y HA -0.028 4.522 4.550 -0.002 0.000 0.291 1361 Y C 2.755 178.624 175.900 -0.053 0.000 1.137 1361 Y CA 1.364 59.367 58.100 -0.162 0.000 1.202 1361 Y CB -0.212 38.018 38.460 -0.383 0.000 0.990 1361 Y HN 0.396 nan 8.280 nan 0.000 0.537 1362 Q N -0.170 119.677 119.800 0.079 0.000 2.269 1362 Q HA -0.146 4.193 4.340 -0.002 0.000 0.201 1362 Q C 2.156 178.170 176.000 0.023 0.000 0.946 1362 Q CA 0.685 56.550 55.803 0.103 0.000 0.877 1362 Q CB -0.085 28.681 28.738 0.047 0.000 0.963 1362 Q HN 0.469 nan 8.270 nan 0.000 0.472 1363 E N 1.758 121.920 120.200 -0.063 0.000 2.113 1363 E HA -0.231 4.118 4.350 -0.002 0.000 0.210 1363 E C -0.924 175.546 176.600 -0.217 0.000 1.040 1363 E CA 1.855 58.179 56.400 -0.126 0.000 0.847 1363 E CB -0.920 28.699 29.700 -0.134 0.000 0.755 1363 E HN 0.239 nan 8.360 nan 0.000 0.459 1364 P HA -0.114 nan 4.420 nan 0.000 0.221 1364 P C 0.531 177.360 177.300 -0.785 0.000 1.145 1364 P CA 1.307 64.058 63.100 -0.582 0.000 0.795 1364 P CB -0.239 30.988 31.700 -0.787 0.000 0.775 1365 F N -2.743 117.059 119.950 -0.245 0.000 2.653 1365 F HA 0.200 4.726 4.527 -0.002 0.000 0.304 1365 F C 0.595 175.940 175.800 -0.758 0.000 1.092 1365 F CA -0.061 57.671 58.000 -0.447 0.000 1.279 1365 F CB -0.407 38.466 39.000 -0.211 0.000 1.044 1365 F HN -0.370 nan 8.300 nan 0.000 0.564 1366 T N 1.794 116.074 114.554 -0.457 0.000 2.762 1366 T HA 0.249 4.598 4.350 -0.002 0.000 0.303 1366 T C -0.092 174.362 174.700 -0.409 0.000 0.977 1366 T CA -0.269 61.623 62.100 -0.347 0.000 0.961 1366 T CB 0.084 68.869 68.868 -0.139 0.000 0.944 1366 T HN 0.077 nan 8.240 nan 0.000 0.481 1367 H N 0.867 119.797 119.070 -0.232 0.000 2.585 1367 H HA 0.454 5.009 4.556 -0.002 0.000 0.338 1367 H C 0.478 175.787 175.328 -0.032 0.000 1.295 1367 H CA -1.106 54.788 56.048 -0.257 0.000 1.356 1367 H CB 0.677 30.030 29.762 -0.681 0.000 1.736 1367 H HN 0.393 nan 8.280 nan 0.000 0.629 1368 S N 0.406 116.208 115.700 0.170 0.000 2.533 1368 S HA 0.267 4.736 4.470 -0.002 0.000 0.282 1368 S C 0.414 175.168 174.600 0.256 0.000 1.304 1368 S CA -0.577 57.720 58.200 0.161 0.000 1.063 1368 S CB 0.381 63.651 63.200 0.116 0.000 0.881 1368 S HN 0.732 nan 8.310 nan 0.000 0.493 1369 A N 5.709 128.645 122.820 0.193 0.000 2.580 1369 A HA 0.253 4.572 4.320 -0.002 0.000 0.244 1369 A C -1.090 176.601 177.584 0.178 0.000 1.045 1369 A CA -0.691 51.461 52.037 0.192 0.000 0.761 1369 A CB -0.615 18.453 19.000 0.113 0.000 0.962 1369 A HN 0.605 nan 8.150 nan 0.000 0.512 1370 P HA 0.140 nan 4.420 nan 0.000 0.277 1370 P C 0.463 177.789 177.300 0.043 0.000 1.276 1370 P CA -0.225 62.926 63.100 0.085 0.000 0.788 1370 P CB 0.608 32.281 31.700 -0.045 0.000 1.114 1371 E N -0.262 119.948 120.200 0.017 0.000 2.147 1371 E HA -0.120 4.229 4.350 -0.002 0.000 0.199 1371 E C 0.386 176.989 176.600 0.006 0.000 1.005 1371 E CA 1.410 57.816 56.400 0.010 0.000 0.810 1371 E CB -0.317 29.381 29.700 -0.002 0.000 0.736 1371 E HN 0.524 nan 8.360 nan 0.000 0.460 1372 S N -0.460 115.237 115.700 -0.006 0.000 2.538 1372 S HA 0.483 4.952 4.470 -0.002 0.000 0.288 1372 S C -0.483 174.119 174.600 0.003 0.000 1.108 1372 S CA -1.040 57.159 58.200 -0.002 0.000 0.971 1372 S CB 1.582 64.775 63.200 -0.012 0.000 1.041 1372 S HN -0.021 nan 8.310 nan 0.000 0.483 1373 I N 2.850 123.433 120.570 0.021 0.000 2.322 1373 I HA 0.325 4.494 4.170 -0.002 0.000 0.292 1373 I C -2.191 173.956 176.117 0.050 0.000 1.060 1373 I CA -2.308 59.014 61.300 0.037 0.000 1.309 1373 I CB -0.332 37.694 38.000 0.042 0.000 1.415 1373 I HN 0.447 nan 8.210 nan 0.000 0.492 1374 P HA 0.049 nan 4.420 nan 0.000 0.266 1374 P C 0.422 177.836 177.300 0.191 0.000 1.195 1374 P CA 0.133 63.306 63.100 0.121 0.000 0.768 1374 P CB 1.047 32.848 31.700 0.168 0.000 0.838 1375 D N 0.592 121.098 120.400 0.176 0.000 2.323 1375 D HA -0.030 4.609 4.640 -0.002 0.000 0.218 1375 D C 0.351 176.837 176.300 0.310 0.000 0.973 1375 D CA 0.688 54.803 54.000 0.192 0.000 0.890 1375 D CB 0.292 41.160 40.800 0.114 0.000 1.011 1375 D HN 0.436 nan 8.370 nan 0.000 0.499 1376 T N -3.887 110.813 114.554 0.243 0.000 2.910 1376 T HA 0.273 4.622 4.350 -0.002 0.000 0.287 1376 T C 0.534 175.180 174.700 -0.090 0.000 1.050 1376 T CA -0.803 61.405 62.100 0.181 0.000 1.011 1376 T CB 0.735 69.651 68.868 0.081 0.000 1.195 1376 T HN -0.042 nan 8.240 nan 0.000 0.540 1377 F N 0.480 120.136 119.950 -0.490 0.000 2.325 1377 F HA 0.137 4.663 4.527 -0.001 0.000 0.299 1377 F C 2.414 177.990 175.800 -0.375 0.000 1.090 1377 F CA 1.435 58.966 58.000 -0.782 0.000 1.392 1377 F CB -0.160 38.479 39.000 -0.600 0.000 1.053 1377 F HN 0.881 nan 8.300 nan 0.000 0.521 1378 E N -0.075 120.011 120.200 -0.191 0.000 2.110 1378 E HA -0.220 4.129 4.350 -0.002 0.000 0.193 1378 E C 1.572 178.032 176.600 -0.233 0.000 0.988 1378 E CA 1.588 57.872 56.400 -0.194 0.000 0.804 1378 E CB -0.161 29.493 29.700 -0.077 0.000 0.745 1378 E HN 0.361 nan 8.360 nan 0.000 0.458 1379 D N 0.268 120.566 120.400 -0.170 0.000 2.144 1379 D HA -0.109 4.530 4.640 -0.002 0.000 0.200 1379 D C 1.803 177.989 176.300 -0.190 0.000 0.978 1379 D CA 1.155 55.079 54.000 -0.128 0.000 0.833 1379 D CB -0.175 40.603 40.800 -0.036 0.000 0.961 1379 D HN 0.290 nan 8.370 nan 0.000 0.470 1380 A N 0.701 123.351 122.820 -0.284 0.000 1.933 1380 A HA -0.111 4.208 4.320 -0.002 0.000 0.218 1380 A C 2.510 179.828 177.584 -0.443 0.000 1.175 1380 A CA 0.953 52.795 52.037 -0.325 0.000 0.628 1380 A CB -0.588 18.182 19.000 -0.383 0.000 0.814 1380 A HN 0.136 nan 8.150 nan 0.000 0.444 1381 V N 0.896 120.474 119.914 -0.560 0.000 2.358 1381 V HA -0.210 3.909 4.120 -0.002 0.000 0.246 1381 V C 2.190 178.110 176.094 -0.289 0.000 1.047 1381 V CA 1.981 64.006 62.300 -0.458 0.000 1.035 1381 V CB -0.813 30.732 31.823 -0.463 0.000 0.658 1381 V HN 0.557 nan 8.190 nan 0.000 0.452 1382 N N -0.078 118.479 118.700 -0.238 0.000 2.270 1382 N HA 0.023 4.762 4.740 -0.002 0.000 0.181 1382 N C 1.764 177.179 175.510 -0.159 0.000 1.016 1382 N CA 1.278 54.228 53.050 -0.168 0.000 0.870 1382 N CB 0.004 38.413 38.487 -0.130 0.000 0.979 1382 N HN 0.433 nan 8.380 nan 0.000 0.431 1383 I N 0.480 120.941 120.570 -0.183 0.000 2.235 1383 I HA -0.128 4.041 4.170 -0.002 0.000 0.241 1383 I C 1.673 177.655 176.117 -0.226 0.000 1.085 1383 I CA 0.622 61.816 61.300 -0.177 0.000 1.378 1383 I CB 0.018 37.917 38.000 -0.168 0.000 1.076 1383 I HN 0.019 nan 8.210 nan 0.000 0.415 1384 L N 0.562 121.598 121.223 -0.311 0.000 2.313 1384 L HA -0.025 4.314 4.340 -0.002 0.000 0.214 1384 L C 0.753 177.480 176.870 -0.239 0.000 1.119 1384 L CA 0.997 55.610 54.840 -0.379 0.000 0.809 1384 L CB -1.124 40.584 42.059 -0.585 0.000 0.933 1384 L HN 0.326 nan 8.230 nan 0.000 0.449 1385 K N -0.061 120.216 120.400 -0.206 0.000 3.278 1385 K HA -0.149 4.170 4.320 -0.002 0.000 0.270 1385 K C -2.097 174.433 176.600 -0.117 0.000 0.955 1385 K CA -0.120 56.078 56.287 -0.148 0.000 0.723 1385 K CB -1.366 31.070 32.500 -0.107 0.000 1.382 1385 K HN 0.339 nan 8.250 nan 0.000 0.461 1386 P HA -0.038 nan 4.420 nan 0.000 0.272 1386 P C 0.566 177.824 177.300 -0.070 0.000 1.223 1386 P CA 0.122 63.175 63.100 -0.079 0.000 0.784 1386 P CB 1.342 32.987 31.700 -0.092 0.000 0.923 1387 S N -0.038 115.643 115.700 -0.032 0.000 2.503 1387 S HA 0.102 4.571 4.470 -0.002 0.000 0.217 1387 S C 0.540 175.100 174.600 -0.066 0.000 0.999 1387 S CA 0.248 58.433 58.200 -0.025 0.000 0.914 1387 S CB -0.332 62.895 63.200 0.046 0.000 0.782 1387 S HN 0.519 nan 8.310 nan 0.000 0.520 1388 T N 1.930 116.420 114.554 -0.107 0.000 2.916 1388 T HA 0.652 5.001 4.350 -0.002 0.000 0.298 1388 T C -1.611 172.975 174.700 -0.191 0.000 1.031 1388 T CA -0.365 61.621 62.100 -0.190 0.000 0.993 1388 T CB 1.840 70.534 68.868 -0.289 0.000 1.045 1388 T HN 0.172 nan 8.240 nan 0.000 0.454 1389 I N 3.170 123.639 120.570 -0.167 0.000 2.436 1389 I HA 0.565 4.734 4.170 -0.002 0.000 0.289 1389 I C -1.273 174.871 176.117 0.045 0.000 1.010 1389 I CA -0.870 60.391 61.300 -0.065 0.000 1.098 1389 I CB 1.093 39.005 38.000 -0.147 0.000 1.266 1389 I HN 0.613 nan 8.210 nan 0.000 0.434 1390 I N 7.058 127.647 120.570 0.032 0.000 2.411 1390 I HA 0.437 4.606 4.170 -0.002 0.000 0.284 1390 I C 0.430 176.692 176.117 0.242 0.000 1.012 1390 I CA -0.593 60.760 61.300 0.088 0.000 1.119 1390 I CB 1.699 39.544 38.000 -0.258 0.000 1.261 1390 I HN 0.671 nan 8.210 nan 0.000 0.448 1391 G N 4.840 113.718 108.800 0.130 0.000 2.327 1391 G HA2 0.429 4.388 3.960 -0.002 0.000 0.302 1391 G HA3 0.429 4.388 3.960 -0.002 0.000 0.302 1391 G C -0.369 174.465 174.900 -0.110 0.000 1.113 1391 G CA -0.180 44.755 45.100 -0.275 0.000 0.921 1391 G HN 0.449 nan 8.290 nan 0.000 0.425 1392 V N 2.298 122.196 119.914 -0.026 0.000 2.786 1392 V HA 0.553 4.673 4.120 -0.002 0.000 0.326 1392 V C 0.644 176.738 176.094 0.001 0.000 1.185 1392 V CA 0.374 62.683 62.300 0.016 0.000 1.355 1392 V CB 0.385 32.276 31.823 0.113 0.000 1.275 1392 V HN 0.899 nan 8.190 nan 0.000 0.611 1393 A N 1.350 124.136 122.820 -0.057 0.000 2.288 1393 A HA 0.599 4.918 4.320 -0.002 0.000 0.216 1393 A C 1.853 179.410 177.584 -0.046 0.000 1.199 1393 A CA 0.638 52.650 52.037 -0.042 0.000 0.891 1393 A CB -0.008 18.955 19.000 -0.062 0.000 0.923 1393 A HN 1.935 nan 8.150 nan 0.000 0.500 1394 G N -1.027 107.738 108.800 -0.058 0.000 2.283 1394 G HA2 -0.007 3.952 3.960 -0.002 0.000 0.280 1394 G HA3 -0.007 3.952 3.960 -0.002 0.000 0.280 1394 G C 0.614 175.484 174.900 -0.049 0.000 1.029 1394 G CA 0.524 45.594 45.100 -0.051 0.000 0.840 1394 G HN 1.645 nan 8.290 nan 0.000 0.505 1395 A N -0.789 121.995 122.820 -0.059 0.000 2.616 1395 A HA 0.781 5.100 4.320 -0.002 0.000 0.294 1395 A C 1.601 179.159 177.584 -0.044 0.000 1.091 1395 A CA 1.209 53.218 52.037 -0.047 0.000 0.971 1395 A CB -0.005 18.970 19.000 -0.041 0.000 1.222 1395 A HN 2.527 nan 8.150 nan 0.000 0.521 1396 G N 0.089 108.859 108.800 -0.049 0.000 2.627 1396 G HA2 -0.134 3.826 3.960 -0.002 0.000 0.214 1396 G HA3 -0.134 3.826 3.960 -0.002 0.000 0.214 1396 G C -0.451 174.421 174.900 -0.047 0.000 1.331 1396 G CA -0.920 44.160 45.100 -0.033 0.000 0.891 1396 G HN 0.396 nan 8.290 nan 0.000 0.539 1397 R N 0.743 121.234 120.500 -0.016 0.000 3.572 1397 R HA 0.139 4.478 4.340 -0.002 0.000 0.186 1397 R C 1.277 177.582 176.300 0.009 0.000 1.727 1397 R CA -0.298 55.800 56.100 -0.003 0.000 1.267 1397 R CB -0.715 29.600 30.300 0.024 0.000 1.318 1397 R HN 0.350 nan 8.270 nan 0.000 0.718 1398 L N 0.160 121.364 121.223 -0.032 0.000 2.509 1398 L HA 0.144 4.483 4.340 -0.002 0.000 0.222 1398 L C 0.828 177.823 176.870 0.209 0.000 1.123 1398 L CA 0.720 55.573 54.840 0.022 0.000 0.856 1398 L CB -0.458 41.560 42.059 -0.068 0.000 0.985 1398 L HN 0.326 nan 8.230 nan 0.000 0.456 1399 F N 1.711 121.626 119.950 -0.059 0.000 2.541 1399 F HA 0.089 4.615 4.527 -0.001 0.000 0.351 1399 F C 1.266 177.064 175.800 -0.003 0.000 1.209 1399 F CA -0.895 57.095 58.000 -0.016 0.000 1.277 1399 F CB 0.221 39.224 39.000 0.004 0.000 1.632 1399 F HN 0.036 nan 8.300 nan 0.000 0.619 1400 T N -0.698 113.956 114.554 0.168 0.000 2.748 1400 T HA 0.056 4.405 4.350 -0.002 0.000 0.304 1400 T C -1.708 173.020 174.700 0.047 0.000 1.041 1400 T CA -1.386 60.764 62.100 0.084 0.000 1.033 1400 T CB 1.067 69.971 68.868 0.060 0.000 0.995 1400 T HN 0.131 nan 8.240 nan 0.000 0.536 1401 P HA -0.075 nan 4.420 nan 0.000 0.216 1401 P C 1.177 178.466 177.300 -0.017 0.000 1.150 1401 P CA 1.007 64.104 63.100 -0.006 0.000 0.837 1401 P CB 0.007 31.702 31.700 -0.008 0.000 0.786 1402 D N -1.033 119.360 120.400 -0.011 0.000 2.144 1402 D HA -0.088 4.551 4.640 -0.002 0.000 0.200 1402 D C 2.026 178.299 176.300 -0.044 0.000 0.978 1402 D CA 0.971 54.956 54.000 -0.025 0.000 0.833 1402 D CB -0.577 40.213 40.800 -0.018 0.000 0.961 1402 D HN -0.007 nan 8.370 nan 0.000 0.470 1403 V N 1.540 121.434 119.914 -0.032 0.000 2.343 1403 V HA -0.215 3.904 4.120 -0.002 0.000 0.247 1403 V C 2.519 178.542 176.094 -0.118 0.000 1.051 1403 V CA 1.116 63.373 62.300 -0.071 0.000 1.036 1403 V CB -0.282 31.532 31.823 -0.015 0.000 0.654 1403 V HN 0.182 nan 8.190 nan 0.000 0.451 1404 I N -0.594 119.923 120.570 -0.087 0.000 2.252 1404 I HA -0.216 3.953 4.170 -0.002 0.000 0.245 1404 I C 2.723 178.786 176.117 -0.090 0.000 1.102 1404 I CA 1.461 62.703 61.300 -0.097 0.000 1.385 1404 I CB -0.499 37.459 38.000 -0.070 0.000 1.064 1404 I HN 0.222 nan 8.210 nan 0.000 0.414 1405 R N 1.198 121.655 120.500 -0.071 0.000 2.081 1405 R HA -0.037 4.302 4.340 -0.002 0.000 0.235 1405 R C 1.417 177.673 176.300 -0.073 0.000 1.131 1405 R CA 0.943 57.005 56.100 -0.064 0.000 0.960 1405 R CB -0.496 29.774 30.300 -0.050 0.000 0.856 1405 R HN 0.325 nan 8.270 nan 0.000 0.436 1409 S N 0.331 115.997 115.700 -0.057 0.000 2.395 1409 S HA 0.098 4.567 4.470 -0.002 0.000 0.225 1409 S C 1.708 176.278 174.600 -0.051 0.000 1.027 1409 S CA 1.409 59.579 58.200 -0.050 0.000 0.965 1409 S CB -0.285 62.883 63.200 -0.052 0.000 0.812 1409 S HN 0.514 nan 8.310 nan 0.000 0.482 1410 I N 1.197 121.729 120.570 -0.063 0.000 2.333 1410 I HA -0.008 4.161 4.170 -0.002 0.000 0.246 1410 I C 0.473 176.559 176.117 -0.051 0.000 1.106 1410 I CA 0.678 61.940 61.300 -0.062 0.000 1.411 1410 I CB -0.072 37.879 38.000 -0.082 0.000 1.082 1410 I HN 0.198 nan 8.210 nan 0.000 0.420 1411 N N 0.575 119.244 118.700 -0.051 0.000 2.384 1411 N HA 0.096 4.835 4.740 -0.002 0.000 0.301 1411 N C 0.502 175.994 175.510 -0.031 0.000 1.133 1411 N CA -0.209 52.818 53.050 -0.038 0.000 0.853 1411 N CB 2.296 40.760 38.487 -0.039 0.000 1.241 1411 N HN -0.030 nan 8.380 nan 0.000 0.502 1412 E N 0.746 120.934 120.200 -0.020 0.000 2.086 1412 E HA 0.038 4.387 4.350 -0.002 0.000 0.190 1412 E C -0.279 176.315 176.600 -0.010 0.000 0.975 1412 E CA 1.265 57.657 56.400 -0.013 0.000 0.813 1412 E CB 0.409 30.105 29.700 -0.007 0.000 0.768 1412 E HN 0.273 nan 8.360 nan 0.000 0.457 1413 R N 1.333 121.830 120.500 -0.006 0.000 2.564 1413 R HA 0.317 4.656 4.340 -0.002 0.000 0.282 1413 R C -2.535 173.762 176.300 -0.005 0.000 1.573 1413 R CA -2.213 53.888 56.100 0.001 0.000 1.588 1413 R CB 0.769 31.079 30.300 0.017 0.000 1.154 1413 R HN 0.211 nan 8.270 nan 0.000 0.606 1414 P HA 0.109 nan 4.420 nan 0.000 0.271 1414 P C -0.135 177.156 177.300 -0.014 0.000 1.216 1414 P CA -0.218 62.863 63.100 -0.032 0.000 0.776 1414 P CB 1.357 33.025 31.700 -0.053 0.000 0.881 1415 V N 5.161 125.052 119.914 -0.039 0.000 2.350 1415 V HA 0.338 4.457 4.120 -0.002 0.000 0.276 1415 V C 0.565 176.652 176.094 -0.012 0.000 1.028 1415 V CA -0.340 61.938 62.300 -0.037 0.000 0.860 1415 V CB 0.635 32.345 31.823 -0.187 0.000 0.990 1415 V HN 0.395 nan 8.190 nan 0.000 0.453 1416 I N 5.620 126.302 120.570 0.187 0.000 2.410 1416 I HA 0.464 4.633 4.170 -0.002 0.000 0.286 1416 I C -1.175 175.281 176.117 0.566 0.000 1.009 1416 I CA -0.251 61.239 61.300 0.318 0.000 1.111 1416 I CB 1.616 39.804 38.000 0.314 0.000 1.262 1416 I HN 0.359 nan 8.210 nan 0.000 0.443 1417 F N 4.742 124.758 119.950 0.110 0.000 2.427 1417 F HA 0.576 5.102 4.527 -0.001 0.000 0.348 1417 F C 0.413 176.197 175.800 -0.026 0.000 1.125 1417 F CA -1.476 56.488 58.000 -0.060 0.000 0.989 1417 F CB 1.962 40.941 39.000 -0.034 0.000 1.165 1417 F HN 0.409 nan 8.300 nan 0.000 0.442 1418 A N 5.698 128.477 122.820 -0.067 0.000 2.654 1418 A HA 0.558 4.877 4.320 -0.002 0.000 0.345 1418 A C 0.334 177.861 177.584 -0.095 0.000 1.368 1418 A CA -0.323 51.649 52.037 -0.109 0.000 0.895 1418 A CB -0.188 18.843 19.000 0.052 0.000 1.143 1418 A HN 0.832 nan 8.150 nan 0.000 0.490 1419 L N 0.884 122.070 121.223 -0.063 0.000 2.567 1419 L HA 0.082 4.421 4.340 -0.002 0.000 0.225 1419 L C 0.789 177.639 176.870 -0.033 0.000 1.119 1419 L CA 0.109 54.929 54.840 -0.034 0.000 0.871 1419 L CB -0.147 41.931 42.059 0.033 0.000 1.036 1419 L HN 0.506 nan 8.230 nan 0.000 0.459 1420 S N 1.064 116.731 115.700 -0.054 0.000 2.562 1420 S HA 0.213 4.682 4.470 -0.002 0.000 0.281 1420 S C 0.090 174.658 174.600 -0.053 0.000 1.333 1420 S CA -0.285 57.882 58.200 -0.054 0.000 1.052 1420 S CB 0.499 63.655 63.200 -0.073 0.000 0.884 1420 S HN 0.274 nan 8.310 nan 0.000 0.506 1421 N N 2.363 121.023 118.700 -0.066 0.000 2.312 1421 N HA 0.511 5.250 4.740 -0.002 0.000 0.296 1421 N C -2.764 172.692 175.510 -0.090 0.000 1.193 1421 N CA -1.469 51.526 53.050 -0.092 0.000 0.773 1421 N CB 1.856 40.267 38.487 -0.127 0.000 1.435 1421 N HN 0.290 nan 8.380 nan 0.000 0.484 1422 P HA 0.146 nan 4.420 nan 0.000 0.307 1422 P C 0.584 177.827 177.300 -0.095 0.000 1.306 1422 P CA -0.001 63.028 63.100 -0.118 0.000 0.742 1422 P CB 0.353 31.982 31.700 -0.119 0.000 1.349 1423 T N 0.216 114.698 114.554 -0.120 0.000 2.620 1423 T HA -0.255 4.094 4.350 -0.002 0.000 0.267 1423 T C 1.917 176.616 174.700 -0.001 0.000 1.044 1423 T CA 2.684 64.722 62.100 -0.104 0.000 1.161 1423 T CB -1.290 67.484 68.868 -0.156 0.000 0.862 1423 T HN 0.538 nan 8.240 nan 0.000 0.438 1424 A N 0.981 123.795 122.820 -0.011 0.000 2.070 1424 A HA -0.103 4.217 4.320 -0.002 0.000 0.220 1424 A C 2.235 179.822 177.584 0.006 0.000 1.159 1424 A CA 1.071 53.114 52.037 0.011 0.000 0.656 1424 A CB -0.312 18.685 19.000 -0.004 0.000 0.800 1424 A HN 0.376 nan 8.150 nan 0.000 0.453 1425 Q N -0.482 119.309 119.800 -0.014 0.000 2.392 1425 Q HA 0.313 4.652 4.340 -0.002 0.000 0.203 1425 Q C 0.839 176.822 176.000 -0.028 0.000 0.917 1425 Q CA 0.591 56.379 55.803 -0.026 0.000 0.939 1425 Q CB -0.560 28.152 28.738 -0.042 0.000 1.063 1425 Q HN 0.595 nan 8.270 nan 0.000 0.516 1426 A N 1.243 124.070 122.820 0.012 0.000 2.531 1426 A HA 0.015 4.334 4.320 -0.002 0.000 0.236 1426 A C 0.833 178.406 177.584 -0.018 0.000 1.062 1426 A CA -0.040 52.020 52.037 0.037 0.000 0.760 1426 A CB 0.387 19.510 19.000 0.206 0.000 0.995 1426 A HN 0.036 nan 8.150 nan 0.000 0.501 1427 E N -0.272 119.842 120.200 -0.143 0.000 2.268 1427 E HA 0.016 4.365 4.350 -0.002 0.000 0.195 1427 E C 0.576 177.122 176.600 -0.089 0.000 0.995 1427 E CA 1.494 57.711 56.400 -0.305 0.000 0.836 1427 E CB -0.394 28.719 29.700 -0.978 0.000 0.763 1427 E HN 0.928 nan 8.360 nan 0.000 0.491 1428 C N -3.159 116.167 119.300 0.044 0.000 3.253 1428 C HA 0.618 5.077 4.460 -0.002 0.000 0.342 1428 C C -0.013 174.985 174.990 0.013 0.000 1.306 1428 C CA -0.712 58.347 59.018 0.068 0.000 1.207 1428 C CB 0.912 28.730 27.740 0.129 0.000 1.479 1428 C HN 0.237 nan 8.230 nan 0.000 0.469 1429 T N -0.434 113.974 114.554 -0.243 0.000 2.912 1429 T HA 0.668 5.017 4.350 -0.002 0.000 0.280 1429 T C 1.210 175.275 174.700 -1.059 0.000 0.989 1429 T CA 0.219 61.844 62.100 -0.793 0.000 0.995 1429 T CB 1.420 69.951 68.868 -0.563 0.000 1.077 1429 T HN 2.159 nan 8.240 nan 0.000 0.531 1430 A N 0.207 122.183 122.820 -1.407 0.000 1.877 1430 A HA -0.062 4.258 4.320 -0.002 0.000 0.216 1430 A C 2.262 179.510 177.584 -0.560 0.000 1.186 1430 A CA 1.906 53.307 52.037 -1.059 0.000 0.620 1430 A CB -1.251 17.610 19.000 -0.232 0.000 0.822 1430 A HN 1.056 nan 8.150 nan 0.000 0.443 1431 E N -0.058 119.941 120.200 -0.335 0.000 2.085 1431 E HA -0.261 4.088 4.350 -0.002 0.000 0.194 1431 E C 1.869 178.364 176.600 -0.176 0.000 0.994 1431 E CA 1.623 57.945 56.400 -0.129 0.000 0.801 1431 E CB -0.154 29.496 29.700 -0.083 0.000 0.743 1431 E HN 0.766 nan 8.360 nan 0.000 0.453 1432 E N 0.049 120.082 120.200 -0.278 0.000 2.047 1432 E HA -0.172 4.177 4.350 -0.002 0.000 0.191 1432 E C 2.080 178.515 176.600 -0.275 0.000 0.987 1432 E CA 0.935 57.203 56.400 -0.220 0.000 0.799 1432 E CB -0.155 29.432 29.700 -0.188 0.000 0.752 1432 E HN 0.373 nan 8.360 nan 0.000 0.449 1433 A N 0.628 123.147 122.820 -0.501 0.000 1.877 1433 A HA -0.184 4.135 4.320 -0.002 0.000 0.216 1433 A C 1.914 179.205 177.584 -0.489 0.000 1.186 1433 A CA 1.286 52.990 52.037 -0.556 0.000 0.620 1433 A CB -0.891 17.519 19.000 -0.982 0.000 0.822 1433 A HN 0.293 nan 8.150 nan 0.000 0.443 1434 Y N 0.781 120.875 120.300 -0.344 0.000 2.242 1434 Y HA -0.190 4.359 4.550 -0.002 0.000 0.291 1434 Y C 3.172 178.948 175.900 -0.208 0.000 1.137 1434 Y CA 1.692 59.607 58.100 -0.308 0.000 1.181 1434 Y CB -0.463 37.832 38.460 -0.274 0.000 0.989 1434 Y HN 0.535 nan 8.280 nan 0.000 0.527 1435 T N -2.003 112.545 114.554 -0.009 0.000 2.770 1435 T HA -0.125 4.225 4.350 -0.002 0.000 0.263 1435 T C 1.638 176.316 174.700 -0.036 0.000 1.039 1435 T CA 0.965 63.063 62.100 -0.004 0.000 1.142 1435 T CB -0.695 68.171 68.868 -0.003 0.000 0.868 1435 T HN 0.077 nan 8.240 nan 0.000 0.435 1436 L N 2.580 123.762 121.223 -0.069 0.000 2.362 1436 L HA 0.133 4.472 4.340 -0.002 0.000 0.219 1436 L C 2.567 179.396 176.870 -0.068 0.000 1.134 1436 L CA 1.658 56.459 54.840 -0.064 0.000 0.807 1436 L CB -0.894 41.121 42.059 -0.073 0.000 0.927 1436 L HN 0.696 nan 8.230 nan 0.000 0.447 1437 T N -5.411 109.091 114.554 -0.086 0.000 3.085 1437 T HA 0.163 4.512 4.350 -0.002 0.000 0.264 1437 T C 0.556 175.217 174.700 -0.065 0.000 1.019 1437 T CA -0.301 61.750 62.100 -0.082 0.000 0.910 1437 T CB -0.211 68.591 68.868 -0.110 0.000 1.059 1437 T HN 0.319 nan 8.240 nan 0.000 0.542 1438 E N 0.878 121.050 120.200 -0.046 0.000 2.360 1438 E HA -0.219 4.130 4.350 -0.002 0.000 0.238 1438 E C 0.969 177.549 176.600 -0.034 0.000 1.186 1438 E CA 0.385 56.776 56.400 -0.015 0.000 0.719 1438 E CB -1.899 27.802 29.700 0.002 0.000 1.236 1438 E HN 0.991 nan 8.360 nan 0.000 0.386 1439 G N -0.064 108.649 108.800 -0.146 0.000 2.153 1439 G HA2 -0.394 3.565 3.960 -0.002 0.000 0.252 1439 G HA3 -0.394 3.565 3.960 -0.002 0.000 0.252 1439 G C 0.692 175.431 174.900 -0.269 0.000 0.994 1439 G CA 0.687 45.517 45.100 -0.450 0.000 0.698 1439 G HN 0.427 nan 8.290 nan 0.000 0.521 1440 R N -0.697 119.726 120.500 -0.127 0.000 2.290 1440 R HA 0.218 4.557 4.340 -0.002 0.000 0.197 1440 R C 1.977 178.251 176.300 -0.042 0.000 0.913 1440 R CA 0.686 56.753 56.100 -0.055 0.000 1.040 1440 R CB 0.016 30.298 30.300 -0.030 0.000 0.992 1440 R HN 0.771 nan 8.270 nan 0.000 0.500 1441 C N -0.170 119.086 119.300 -0.074 0.000 2.500 1441 C HA 0.555 5.014 4.460 -0.002 0.000 0.367 1441 C C 0.354 175.364 174.990 0.033 0.000 1.283 1441 C CA -1.204 57.791 59.018 -0.040 0.000 2.456 1441 C CB 0.093 27.779 27.740 -0.091 0.000 2.457 1441 C HN 0.181 nan 8.230 nan 0.000 0.632 1442 L N 2.361 123.642 121.223 0.096 0.000 2.294 1442 L HA 0.505 4.845 4.340 -0.002 0.000 0.283 1442 L C -0.431 176.601 176.870 0.270 0.000 1.015 1442 L CA -0.085 54.866 54.840 0.186 0.000 0.831 1442 L CB 0.814 42.970 42.059 0.161 0.000 1.217 1442 L HN 0.760 nan 8.230 nan 0.000 0.420 1443 F N 3.320 123.299 119.950 0.048 0.000 2.492 1443 F HA 0.833 5.359 4.527 -0.002 0.000 0.327 1443 F C -0.327 175.469 175.800 -0.006 0.000 1.079 1443 F CA -0.549 57.442 58.000 -0.015 0.000 0.967 1443 F CB 1.805 40.586 39.000 -0.366 0.000 1.169 1443 F HN 0.426 nan 8.300 nan 0.000 0.472 1444 A N 2.979 125.164 122.820 -1.059 0.000 2.517 1444 A HA 0.662 4.981 4.320 -0.002 0.000 0.297 1444 A C -1.365 175.557 177.584 -1.104 0.000 1.050 1444 A CA -0.154 51.339 52.037 -0.906 0.000 0.694 1444 A CB 1.158 19.476 19.000 -1.137 0.000 1.277 1444 A HN 1.080 nan 8.150 nan 0.000 0.400 1445 S N 0.463 115.838 115.700 -0.541 0.000 2.632 1445 S HA 0.747 5.216 4.470 -0.002 0.000 0.289 1445 S C 0.868 175.410 174.600 -0.097 0.000 1.115 1445 S CA -0.023 58.027 58.200 -0.249 0.000 0.889 1445 S CB 1.476 64.806 63.200 0.217 0.000 1.116 1445 S HN 1.722 nan 8.310 nan 0.000 0.486 1446 G N 0.669 109.437 108.800 -0.054 0.000 2.396 1446 G HA2 0.187 4.146 3.960 -0.002 0.000 0.214 1446 G HA3 0.187 4.146 3.960 -0.002 0.000 0.214 1446 G C 0.405 175.270 174.900 -0.057 0.000 1.166 1446 G CA 0.192 45.263 45.100 -0.048 0.000 0.793 1446 G HN 0.689 nan 8.290 nan 0.000 0.533 1447 S N 1.292 116.937 115.700 -0.092 0.000 2.646 1447 S HA 0.506 4.975 4.470 -0.002 0.000 0.276 1447 S C -2.476 171.979 174.600 -0.243 0.000 1.222 1447 S CA -0.956 57.129 58.200 -0.192 0.000 1.014 1447 S CB 2.110 65.144 63.200 -0.278 0.000 0.991 1447 S HN 0.107 nan 8.310 nan 0.000 0.533 1448 P HA 0.373 nan 4.420 nan 0.000 0.280 1448 P C -1.348 175.759 177.300 -0.323 0.000 1.244 1448 P CA -0.140 62.869 63.100 -0.152 0.000 0.784 1448 P CB 0.245 31.913 31.700 -0.054 0.000 0.913 1449 F N 0.813 120.845 119.950 0.137 0.000 2.556 1449 F HA 0.493 5.019 4.527 -0.001 0.000 0.314 1449 F C 1.170 177.055 175.800 0.142 0.000 1.106 1449 F CA -0.586 57.502 58.000 0.147 0.000 0.911 1449 F CB 2.205 41.330 39.000 0.209 0.000 1.190 1449 F HN 0.317 nan 8.300 nan 0.000 0.448 1450 G N 1.971 110.954 108.800 0.305 0.000 2.621 1450 G HA2 0.501 4.460 3.960 -0.002 0.000 0.271 1450 G HA3 0.501 4.460 3.960 -0.002 0.000 0.271 1450 G C -2.735 172.279 174.900 0.189 0.000 1.236 1450 G CA -1.459 43.761 45.100 0.199 0.000 0.958 1450 G HN 0.308 nan 8.290 nan 0.000 0.512 1451 P HA 0.193 nan 4.420 nan 0.000 0.266 1451 P C -0.544 176.790 177.300 0.057 0.000 1.193 1451 P CA -0.158 62.985 63.100 0.071 0.000 0.770 1451 P CB 0.834 32.550 31.700 0.028 0.000 0.836 1452 V N 3.246 123.167 119.914 0.012 0.000 2.495 1452 V HA 0.351 4.470 4.120 -0.002 0.000 0.298 1452 V C 0.125 176.221 176.094 0.004 0.000 1.031 1452 V CA -0.460 61.858 62.300 0.031 0.000 0.871 1452 V CB 1.600 33.468 31.823 0.075 0.000 0.988 1452 V HN 0.415 nan 8.190 nan 0.000 0.432 1453 K N 5.307 125.715 120.400 0.014 0.000 2.339 1453 K HA 0.594 4.913 4.320 -0.002 0.000 0.264 1453 K C -0.760 175.862 176.600 0.036 0.000 0.986 1453 K CA -0.582 55.696 56.287 -0.014 0.000 0.866 1453 K CB 0.998 33.480 32.500 -0.030 0.000 1.103 1453 K HN 0.606 nan 8.250 nan 0.000 0.441 1454 L N 2.768 124.036 121.223 0.074 0.000 2.472 1454 L HA 0.089 4.428 4.340 -0.002 0.000 0.260 1454 L C 1.617 178.517 176.870 0.049 0.000 1.209 1454 L CA -0.227 54.673 54.840 0.100 0.000 0.817 1454 L CB 0.749 42.921 42.059 0.189 0.000 1.106 1454 L HN 0.782 nan 8.230 nan 0.000 0.479 1455 T N -0.332 114.249 114.554 0.045 0.000 2.869 1455 T HA -0.158 4.191 4.350 -0.002 0.000 0.270 1455 T C 0.969 175.682 174.700 0.021 0.000 1.082 1455 T CA 1.664 63.780 62.100 0.027 0.000 1.123 1455 T CB -0.427 68.455 68.868 0.024 0.000 0.856 1455 T HN 0.774 nan 8.240 nan 0.000 0.499 1456 D N -0.169 120.249 120.400 0.030 0.000 2.340 1456 D HA 0.295 4.934 4.640 -0.002 0.000 0.220 1456 D C 1.470 177.770 176.300 0.000 0.000 1.039 1456 D CA 0.601 54.613 54.000 0.020 0.000 0.866 1456 D CB -0.453 40.368 40.800 0.035 0.000 0.913 1456 D HN 0.377 nan 8.370 nan 0.000 0.523 1457 G N 0.037 108.830 108.800 -0.011 0.000 2.213 1457 G HA2 -0.318 3.641 3.960 -0.002 0.000 0.236 1457 G HA3 -0.318 3.641 3.960 -0.002 0.000 0.236 1457 G C 0.299 175.141 174.900 -0.097 0.000 0.991 1457 G CA -0.262 44.812 45.100 -0.043 0.000 0.629 1457 G HN 0.415 nan 8.290 nan 0.000 0.517 1458 R N 0.027 120.458 120.500 -0.116 0.000 2.491 1458 R HA 0.494 4.833 4.340 -0.002 0.000 0.283 1458 R C -0.067 175.933 176.300 -0.500 0.000 1.072 1458 R CA -0.003 55.910 56.100 -0.312 0.000 1.048 1458 R CB 1.322 31.458 30.300 -0.272 0.000 0.983 1458 R HN 0.110 nan 8.270 nan 0.000 0.450 1459 V N 4.795 124.315 119.914 -0.658 0.000 2.409 1459 V HA 0.388 4.508 4.120 -0.002 0.000 0.291 1459 V C -0.822 174.781 176.094 -0.819 0.000 1.020 1459 V CA -0.603 61.365 62.300 -0.554 0.000 0.848 1459 V CB 0.948 32.604 31.823 -0.278 0.000 0.990 1459 V HN 0.501 nan 8.190 nan 0.000 0.430 1460 F N 1.711 121.491 119.950 -0.283 0.000 2.482 1460 F HA 0.566 5.093 4.527 -0.002 0.000 0.331 1460 F C 0.647 176.247 175.800 -0.333 0.000 1.115 1460 F CA -0.618 57.121 58.000 -0.435 0.000 0.955 1460 F CB 2.056 40.429 39.000 -1.044 0.000 1.136 1460 F HN 0.304 nan 8.300 nan 0.000 0.452 1461 T N 5.085 119.648 114.554 0.015 0.000 2.801 1461 T HA 0.319 4.668 4.350 -0.002 0.000 0.306 1461 T C -2.625 172.210 174.700 0.226 0.000 1.020 1461 T CA -1.454 60.706 62.100 0.100 0.000 0.948 1461 T CB 0.838 69.757 68.868 0.085 0.000 0.962 1461 T HN 0.231 nan 8.240 nan 0.000 0.465 1462 P HA 0.311 nan 4.420 nan 0.000 0.275 1462 P C 0.268 177.779 177.300 0.351 0.000 1.227 1462 P CA -0.196 63.205 63.100 0.502 0.000 0.781 1462 P CB 0.997 33.138 31.700 0.735 0.000 0.906 1463 G N 1.908 110.886 108.800 0.297 0.000 2.504 1463 G HA2 0.266 4.225 3.960 -0.002 0.000 0.288 1463 G HA3 0.266 4.225 3.960 -0.002 0.000 0.288 1463 G C -0.911 174.124 174.900 0.225 0.000 1.182 1463 G CA -0.471 44.806 45.100 0.295 0.000 0.894 1463 G HN 0.563 nan 8.290 nan 0.000 0.521 1464 Q N 0.054 119.965 119.800 0.184 0.000 2.394 1464 Q HA 0.428 4.767 4.340 -0.002 0.000 0.259 1464 Q C 0.297 176.167 176.000 -0.217 0.000 1.021 1464 Q CA -0.643 55.189 55.803 0.047 0.000 0.805 1464 Q CB 1.019 29.823 28.738 0.110 0.000 1.226 1464 Q HN 0.595 nan 8.270 nan 0.000 0.476 1465 G N 4.210 112.847 108.800 -0.272 0.000 2.985 1465 G HA2 0.027 3.986 3.960 -0.002 0.000 0.282 1465 G HA3 0.027 3.986 3.960 -0.002 0.000 0.282 1465 G C -0.336 174.473 174.900 -0.151 0.000 0.791 1465 G CA -0.200 44.654 45.100 -0.411 0.000 1.934 1465 G HN 0.494 nan 8.290 nan 0.000 0.563 1466 N N 1.175 119.835 118.700 -0.067 0.000 2.269 1466 N HA 0.049 4.788 4.740 -0.002 0.000 0.304 1466 N C 0.983 176.592 175.510 0.165 0.000 1.072 1466 N CA -0.670 52.433 53.050 0.087 0.000 0.802 1466 N CB 1.407 39.979 38.487 0.140 0.000 1.348 1466 N HN 0.248 nan 8.380 nan 0.000 0.484 1467 N N 1.832 120.684 118.700 0.253 0.000 2.635 1467 N HA -0.129 4.610 4.740 -0.002 0.000 0.191 1467 N C 1.370 177.078 175.510 0.329 0.000 1.155 1467 N CA 0.398 53.653 53.050 0.342 0.000 0.927 1467 N CB -0.188 38.557 38.487 0.429 0.000 0.976 1467 N HN 0.272 nan 8.380 nan 0.000 0.448 1468 V N -0.521 119.496 119.914 0.172 0.000 2.867 1468 V HA -0.174 3.945 4.120 -0.002 0.000 0.260 1468 V C 0.952 176.757 176.094 -0.481 0.000 1.099 1468 V CA 1.327 63.408 62.300 -0.366 0.000 1.122 1468 V CB -0.757 30.855 31.823 -0.353 0.000 0.708 1468 V HN 0.333 nan 8.190 nan 0.000 0.490 1469 Y N -1.176 118.989 120.300 -0.225 0.000 2.544 1469 Y HA 0.097 4.646 4.550 -0.001 0.000 0.286 1469 Y C 2.002 177.802 175.900 -0.166 0.000 1.141 1469 Y CA 0.707 58.691 58.100 -0.195 0.000 1.299 1469 Y CB 0.426 38.791 38.460 -0.159 0.000 1.030 1469 Y HN 0.239 nan 8.280 nan 0.000 0.543 1470 I N -1.780 118.792 120.570 0.003 0.000 3.366 1470 I HA -0.111 4.058 4.170 -0.002 0.000 0.267 1470 I C 2.069 178.177 176.117 -0.014 0.000 1.149 1470 I CA 0.624 61.946 61.300 0.037 0.000 1.436 1470 I CB -1.297 36.816 38.000 0.187 0.000 1.379 1470 I HN 0.165 nan 8.210 nan 0.000 0.460 1471 F N 2.114 122.104 119.950 0.067 0.000 2.216 1471 F HA 0.032 4.558 4.527 -0.002 0.000 0.300 1471 F C -0.780 174.917 175.800 -0.171 0.000 1.085 1471 F CA 0.720 58.747 58.000 0.046 0.000 1.326 1471 F CB -2.707 36.468 39.000 0.292 0.000 1.027 1471 F HN 0.060 nan 8.300 nan 0.000 0.497 1472 P HA -0.027 nan 4.420 nan 0.000 0.215 1472 P C 2.076 179.183 177.300 -0.322 0.000 1.157 1472 P CA 2.337 65.135 63.100 -0.504 0.000 0.863 1472 P CB -0.391 30.995 31.700 -0.523 0.000 0.787 1473 G N -0.548 108.107 108.800 -0.242 0.000 2.402 1473 G HA2 -0.182 3.777 3.960 -0.002 0.000 0.216 1473 G HA3 -0.182 3.777 3.960 -0.002 0.000 0.216 1473 G C 1.604 176.406 174.900 -0.163 0.000 1.162 1473 G CA 0.567 45.567 45.100 -0.166 0.000 0.777 1473 G HN 0.127 nan 8.290 nan 0.000 0.539 1474 V N 1.612 121.411 119.914 -0.192 0.000 2.307 1474 V HA -0.106 4.013 4.120 -0.002 0.000 0.245 1474 V C 3.339 179.310 176.094 -0.205 0.000 1.045 1474 V CA 1.966 64.114 62.300 -0.253 0.000 1.024 1474 V CB -0.921 30.657 31.823 -0.409 0.000 0.651 1474 V HN 0.459 nan 8.190 nan 0.000 0.449 1475 A N 0.036 122.750 122.820 -0.178 0.000 1.892 1475 A HA -0.255 4.064 4.320 -0.002 0.000 0.218 1475 A C 2.197 179.722 177.584 -0.098 0.000 1.188 1475 A CA 2.365 54.336 52.037 -0.110 0.000 0.631 1475 A CB -0.717 18.091 19.000 -0.321 0.000 0.822 1475 A HN 0.456 nan 8.150 nan 0.000 0.447 1476 L N -0.276 120.861 121.223 -0.143 0.000 2.012 1476 L HA -0.110 4.230 4.340 -0.002 0.000 0.210 1476 L C 2.692 179.533 176.870 -0.049 0.000 1.073 1476 L CA 2.375 57.160 54.840 -0.092 0.000 0.748 1476 L CB -0.893 41.103 42.059 -0.104 0.000 0.891 1476 L HN 0.367 nan 8.230 nan 0.000 0.431 1477 A N -1.151 121.635 122.820 -0.056 0.000 1.877 1477 A HA -0.156 4.163 4.320 -0.002 0.000 0.216 1477 A C 2.257 179.833 177.584 -0.015 0.000 1.186 1477 A CA 2.120 54.144 52.037 -0.021 0.000 0.620 1477 A CB -1.174 17.799 19.000 -0.045 0.000 0.822 1477 A HN 0.316 nan 8.150 nan 0.000 0.443 1478 V N 0.242 120.134 119.914 -0.037 0.000 2.343 1478 V HA -0.283 3.836 4.120 -0.002 0.000 0.247 1478 V C 2.430 178.540 176.094 0.026 0.000 1.051 1478 V CA 2.081 64.374 62.300 -0.011 0.000 1.036 1478 V CB -0.731 31.092 31.823 0.000 0.000 0.654 1478 V HN 0.565 nan 8.190 nan 0.000 0.451 1479 I N -0.488 120.100 120.570 0.031 0.000 2.142 1479 I HA -0.245 3.924 4.170 -0.002 0.000 0.240 1479 I C 2.335 178.483 176.117 0.053 0.000 1.078 1479 I CA 1.627 62.951 61.300 0.041 0.000 1.343 1479 I CB -0.344 37.670 38.000 0.024 0.000 1.046 1479 I HN 0.237 nan 8.210 nan 0.000 0.405 1480 L N -0.179 121.077 121.223 0.054 0.000 2.131 1480 L HA -0.232 4.107 4.340 -0.002 0.000 0.210 1480 L C 2.294 179.295 176.870 0.220 0.000 1.092 1480 L CA 0.990 55.903 54.840 0.121 0.000 0.759 1480 L CB -0.550 41.567 42.059 0.096 0.000 0.903 1480 L HN 0.425 nan 8.230 nan 0.000 0.435 1481 C N -0.433 118.932 119.300 0.109 0.000 2.626 1481 C HA 0.099 4.558 4.460 -0.002 0.000 0.266 1481 C C 1.122 176.114 174.990 0.003 0.000 1.317 1481 C CA -0.285 58.723 59.018 -0.017 0.000 1.716 1481 C CB -1.764 25.851 27.740 -0.208 0.000 1.819 1481 C HN 0.630 nan 8.230 nan 0.000 0.578 1482 N N 0.420 119.167 118.700 0.079 0.000 2.740 1482 N HA -0.142 4.597 4.740 -0.002 0.000 0.248 1482 N C -0.473 175.135 175.510 0.163 0.000 1.062 1482 N CA 0.211 53.336 53.050 0.125 0.000 0.704 1482 N CB -0.826 37.766 38.487 0.175 0.000 0.968 1482 N HN 0.464 nan 8.380 nan 0.000 0.547 1483 T N -0.219 114.393 114.554 0.097 0.000 2.919 1483 T HA 0.135 4.484 4.350 -0.002 0.000 0.302 1483 T C 1.533 176.286 174.700 0.087 0.000 1.031 1483 T CA -0.026 62.145 62.100 0.119 0.000 1.127 1483 T CB 1.282 70.173 68.868 0.037 0.000 0.952 1483 T HN 0.205 nan 8.240 nan 0.000 0.540 1484 R N 0.908 121.440 120.500 0.052 0.000 2.128 1484 R HA 0.121 4.460 4.340 -0.002 0.000 0.211 1484 R C 0.046 176.023 176.300 -0.539 0.000 1.067 1484 R CA 0.704 56.626 56.100 -0.298 0.000 1.010 1484 R CB 0.200 30.196 30.300 -0.506 0.000 0.922 1484 R HN 0.686 nan 8.270 nan 0.000 0.457 1485 H N -1.056 118.111 119.070 0.160 0.000 2.930 1485 H HA 0.387 4.942 4.556 -0.002 0.000 0.371 1485 H C -1.098 174.321 175.328 0.152 0.000 1.169 1485 H CA -0.754 55.387 56.048 0.156 0.000 1.157 1485 H CB 2.207 32.049 29.762 0.133 0.000 1.789 1485 H HN -0.106 nan 8.280 nan 0.000 0.547 1486 I N 2.570 123.317 120.570 0.295 0.000 2.307 1486 I HA 0.219 4.388 4.170 -0.002 0.000 0.289 1486 I C 0.234 176.510 176.117 0.266 0.000 1.021 1486 I CA -0.535 60.900 61.300 0.224 0.000 1.224 1486 I CB 0.968 39.100 38.000 0.221 0.000 1.376 1486 I HN 0.575 nan 8.210 nan 0.000 0.470 1487 S N 3.059 118.891 115.700 0.220 0.000 2.632 1487 S HA 0.214 4.683 4.470 -0.002 0.000 0.267 1487 S C 0.718 175.490 174.600 0.286 0.000 1.276 1487 S CA -0.709 57.628 58.200 0.228 0.000 0.998 1487 S CB 1.485 64.802 63.200 0.195 0.000 0.953 1487 S HN 0.546 nan 8.310 nan 0.000 0.547 1488 D N 1.383 121.948 120.400 0.275 0.000 2.218 1488 D HA -0.106 4.533 4.640 -0.002 0.000 0.204 1488 D C 2.167 178.631 176.300 0.273 0.000 0.976 1488 D CA 1.695 55.887 54.000 0.321 0.000 0.853 1488 D CB -0.508 40.409 40.800 0.196 0.000 0.939 1488 D HN 0.740 nan 8.370 nan 0.000 0.481 1489 S N 0.057 115.866 115.700 0.181 0.000 2.442 1489 S HA -0.102 4.367 4.470 -0.002 0.000 0.236 1489 S C 2.176 176.713 174.600 -0.105 0.000 1.007 1489 S CA 0.558 58.810 58.200 0.085 0.000 0.965 1489 S CB -0.478 62.830 63.200 0.180 0.000 0.773 1489 S HN 0.071 nan 8.310 nan 0.000 0.504 1490 V N 0.839 120.717 119.914 -0.060 0.000 2.407 1490 V HA -0.099 4.020 4.120 -0.002 0.000 0.248 1490 V C 2.139 177.984 176.094 -0.415 0.000 1.055 1490 V CA 1.799 63.921 62.300 -0.297 0.000 1.049 1490 V CB -1.039 30.594 31.823 -0.318 0.000 0.662 1490 V HN 0.510 nan 8.190 nan 0.000 0.455 1491 F N -0.921 118.968 119.950 -0.101 0.000 2.325 1491 F HA -0.040 4.486 4.527 -0.002 0.000 0.299 1491 F C 2.127 177.884 175.800 -0.072 0.000 1.090 1491 F CA 1.057 59.010 58.000 -0.078 0.000 1.392 1491 F CB -0.360 38.623 39.000 -0.029 0.000 1.053 1491 F HN 0.042 nan 8.300 nan 0.000 0.521 1492 L N 0.038 121.296 121.223 0.058 0.000 2.056 1492 L HA -0.164 4.175 4.340 -0.002 0.000 0.207 1492 L C 2.324 179.144 176.870 -0.083 0.000 1.078 1492 L CA 1.486 56.332 54.840 0.010 0.000 0.749 1492 L CB -0.249 41.810 42.059 0.000 0.000 0.901 1492 L HN 0.065 nan 8.230 nan 0.000 0.433 1493 E N 0.060 120.117 120.200 -0.239 0.000 2.152 1493 E HA -0.140 4.209 4.350 -0.002 0.000 0.192 1493 E C 2.094 178.591 176.600 -0.172 0.000 0.983 1493 E CA 1.113 57.339 56.400 -0.290 0.000 0.818 1493 E CB -0.104 29.215 29.700 -0.635 0.000 0.758 1493 E HN 0.568 nan 8.360 nan 0.000 0.467 1494 A N 1.454 124.179 122.820 -0.159 0.000 1.897 1494 A HA 0.005 4.324 4.320 -0.002 0.000 0.215 1494 A C 2.420 179.994 177.584 -0.018 0.000 1.181 1494 A CA 1.669 53.648 52.037 -0.097 0.000 0.620 1494 A CB -0.474 18.451 19.000 -0.124 0.000 0.821 1494 A HN 0.250 nan 8.150 nan 0.000 0.443 1495 A N 0.224 123.055 122.820 0.018 0.000 1.883 1495 A HA -0.196 4.123 4.320 -0.002 0.000 0.217 1495 A C 2.109 179.711 177.584 0.031 0.000 1.186 1495 A CA 1.908 53.980 52.037 0.057 0.000 0.624 1495 A CB -0.458 18.591 19.000 0.081 0.000 0.822 1495 A HN 0.553 nan 8.150 nan 0.000 0.444 1496 K N -0.343 120.059 120.400 0.002 0.000 2.097 1496 K HA 0.012 4.331 4.320 -0.002 0.000 0.205 1496 K C 2.278 178.877 176.600 -0.002 0.000 1.050 1496 K CA 1.017 57.303 56.287 -0.001 0.000 0.938 1496 K CB -0.314 32.178 32.500 -0.014 0.000 0.718 1496 K HN 0.431 nan 8.250 nan 0.000 0.442 1497 A N 1.467 124.278 122.820 -0.013 0.000 1.933 1497 A HA -0.147 4.172 4.320 -0.002 0.000 0.218 1497 A C 2.100 179.688 177.584 0.006 0.000 1.175 1497 A CA 1.107 53.139 52.037 -0.008 0.000 0.628 1497 A CB -0.438 18.548 19.000 -0.022 0.000 0.814 1497 A HN 0.222 nan 8.150 nan 0.000 0.444 1498 L N -0.442 120.790 121.223 0.015 0.000 2.005 1498 L HA -0.081 4.258 4.340 -0.002 0.000 0.207 1498 L C 2.450 179.328 176.870 0.015 0.000 1.072 1498 L CA 2.837 57.692 54.840 0.025 0.000 0.744 1498 L CB -1.146 40.940 42.059 0.044 0.000 0.895 1498 L HN 0.327 nan 8.230 nan 0.000 0.433 1499 T N -0.601 113.960 114.554 0.011 0.000 2.788 1499 T HA -0.153 4.196 4.350 -0.002 0.000 0.268 1499 T C 1.870 176.567 174.700 -0.005 0.000 1.044 1499 T CA 1.485 63.579 62.100 -0.010 0.000 1.139 1499 T CB -0.498 68.363 68.868 -0.012 0.000 0.867 1499 T HN 0.662 nan 8.240 nan 0.000 0.454 1500 S N 1.208 116.910 115.700 0.004 0.000 2.595 1500 S HA -0.045 4.424 4.470 -0.002 0.000 0.235 1500 S C 1.622 176.227 174.600 0.009 0.000 0.974 1500 S CA 0.522 58.726 58.200 0.007 0.000 0.942 1500 S CB -0.395 62.810 63.200 0.009 0.000 0.766 1500 S HN 0.571 nan 8.310 nan 0.000 0.536 1501 Q N -0.150 119.656 119.800 0.010 0.000 2.319 1501 Q HA 0.375 4.714 4.340 -0.002 0.000 0.209 1501 Q C 0.072 176.082 176.000 0.016 0.000 0.884 1501 Q CA -0.185 55.628 55.803 0.016 0.000 0.938 1501 Q CB 0.262 29.014 28.738 0.024 0.000 1.098 1501 Q HN 0.512 nan 8.270 nan 0.000 0.517 1502 L N 3.391 124.618 121.223 0.007 0.000 2.433 1502 L HA 0.071 4.410 4.340 -0.002 0.000 0.275 1502 L C 0.335 177.211 176.870 0.010 0.000 1.128 1502 L CA -0.132 54.712 54.840 0.005 0.000 0.875 1502 L CB 0.590 42.639 42.059 -0.017 0.000 1.171 1502 L HN 0.168 nan 8.230 nan 0.000 0.463 1503 T N -0.852 113.712 114.554 0.016 0.000 2.899 1503 T HA 0.118 4.467 4.350 -0.002 0.000 0.295 1503 T C 0.801 175.511 174.700 0.016 0.000 1.033 1503 T CA -0.774 61.336 62.100 0.016 0.000 1.084 1503 T CB 1.115 69.994 68.868 0.018 0.000 0.979 1503 T HN 0.556 nan 8.240 nan 0.000 0.532 1504 D N 1.267 121.676 120.400 0.015 0.000 2.133 1504 D HA -0.133 4.506 4.640 -0.002 0.000 0.195 1504 D C 1.803 178.115 176.300 0.020 0.000 0.997 1504 D CA 1.466 55.476 54.000 0.017 0.000 0.840 1504 D CB -0.273 40.537 40.800 0.015 0.000 0.947 1504 D HN 0.737 nan 8.370 nan 0.000 0.452 1505 E N 0.771 120.982 120.200 0.018 0.000 2.160 1505 E HA -0.171 4.178 4.350 -0.002 0.000 0.195 1505 E C 1.762 178.376 176.600 0.024 0.000 0.991 1505 E CA 1.020 57.431 56.400 0.019 0.000 0.810 1505 E CB -0.285 29.424 29.700 0.015 0.000 0.742 1505 E HN 0.504 nan 8.360 nan 0.000 0.466 1506 E N 0.147 120.364 120.200 0.028 0.000 2.230 1506 E HA -0.018 4.332 4.350 -0.002 0.000 0.192 1506 E C 1.974 178.600 176.600 0.043 0.000 0.987 1506 E CA 0.282 56.704 56.400 0.037 0.000 0.841 1506 E CB -0.063 29.661 29.700 0.039 0.000 0.783 1506 E HN 0.237 nan 8.360 nan 0.000 0.481 1507 L N 1.060 122.304 121.223 0.035 0.000 1.994 1507 L HA -0.177 4.162 4.340 -0.002 0.000 0.208 1507 L C 2.709 179.615 176.870 0.061 0.000 1.071 1507 L CA 1.183 56.046 54.840 0.039 0.000 0.745 1507 L CB -0.638 41.438 42.059 0.029 0.000 0.892 1507 L HN 0.123 nan 8.230 nan 0.000 0.431 1508 A N -0.106 122.746 122.820 0.052 0.000 1.917 1508 A HA -0.300 4.019 4.320 -0.002 0.000 0.219 1508 A C 2.204 179.832 177.584 0.074 0.000 1.182 1508 A CA 1.982 54.054 52.037 0.059 0.000 0.633 1508 A CB -0.654 18.368 19.000 0.036 0.000 0.819 1508 A HN 0.557 nan 8.150 nan 0.000 0.448 1509 Q N -1.951 117.884 119.800 0.059 0.000 2.364 1509 Q HA 0.166 4.505 4.340 -0.002 0.000 0.209 1509 Q C 1.191 177.265 176.000 0.123 0.000 0.977 1509 Q CA 0.645 56.480 55.803 0.053 0.000 0.885 1509 Q CB -0.142 28.618 28.738 0.037 0.000 0.941 1509 Q HN 1.013 nan 8.270 nan 0.000 0.464 1510 G N 0.853 109.746 108.800 0.155 0.000 2.143 1510 G HA2 -0.220 3.739 3.960 -0.002 0.000 0.175 1510 G HA3 -0.220 3.739 3.960 -0.002 0.000 0.175 1510 G C -0.320 174.695 174.900 0.193 0.000 1.004 1510 G CA -0.604 44.631 45.100 0.224 0.000 0.671 1510 G HN 0.140 nan 8.290 nan 0.000 0.512 1511 R N -0.085 120.491 120.500 0.127 0.000 2.254 1511 R HA 0.585 4.924 4.340 -0.002 0.000 0.318 1511 R C 1.223 177.533 176.300 0.017 0.000 1.031 1511 R CA -0.488 55.672 56.100 0.100 0.000 0.905 1511 R CB 0.687 31.043 30.300 0.093 0.000 1.050 1511 R HN 0.232 nan 8.270 nan 0.000 0.456 1512 L N 2.903 124.084 121.223 -0.070 0.000 2.640 1512 L HA 0.236 4.576 4.340 -0.002 0.000 0.230 1512 L C -0.405 176.095 176.870 -0.617 0.000 1.123 1512 L CA 0.224 54.865 54.840 -0.332 0.000 0.900 1512 L CB 0.187 41.976 42.059 -0.450 0.000 1.146 1512 L HN 0.569 nan 8.230 nan 0.000 0.484 1513 Y N -1.483 118.758 120.300 -0.097 0.000 2.562 1513 Y HA 0.436 4.985 4.550 -0.001 0.000 0.345 1513 Y C -2.403 173.414 175.900 -0.138 0.000 1.045 1513 Y CA -2.738 55.219 58.100 -0.238 0.000 1.028 1513 Y CB 0.999 39.153 38.460 -0.510 0.000 1.297 1513 Y HN -0.240 nan 8.280 nan 0.000 0.463 1514 P HA 0.037 nan 4.420 nan 0.000 0.269 1514 P C -2.547 174.875 177.300 0.204 0.000 1.209 1514 P CA -0.885 62.275 63.100 0.100 0.000 0.776 1514 P CB -0.080 31.683 31.700 0.105 0.000 0.876 1515 P HA -0.070 nan 4.420 nan 0.000 0.262 1515 P C 0.721 178.135 177.300 0.190 0.000 1.182 1515 P CA -0.032 63.169 63.100 0.167 0.000 0.761 1515 P CB 0.581 32.342 31.700 0.102 0.000 0.795 1516 L N 4.639 125.969 121.223 0.179 0.000 2.127 1516 L HA -0.195 4.144 4.340 -0.002 0.000 0.211 1516 L C 2.468 179.338 176.870 0.000 0.000 1.089 1516 L CA 2.180 57.051 54.840 0.050 0.000 0.757 1516 L CB -1.550 40.513 42.059 0.007 0.000 0.899 1516 L HN 0.494 nan 8.230 nan 0.000 0.434 1517 A N -0.985 121.853 122.820 0.029 0.000 2.076 1517 A HA -0.171 4.148 4.320 -0.002 0.000 0.220 1517 A C 1.669 179.255 177.584 0.005 0.000 1.160 1517 A CA 1.697 53.740 52.037 0.010 0.000 0.653 1517 A CB -0.562 18.450 19.000 0.020 0.000 0.801 1517 A HN 0.628 nan 8.150 nan 0.000 0.455 1518 N N -0.538 118.178 118.700 0.027 0.000 2.321 1518 N HA 0.173 4.912 4.740 -0.002 0.000 0.242 1518 N C 0.891 176.412 175.510 0.018 0.000 1.141 1518 N CA -0.056 53.007 53.050 0.023 0.000 0.864 1518 N CB 0.405 38.917 38.487 0.041 0.000 1.100 1518 N HN 0.576 nan 8.380 nan 0.000 0.510 1519 I N 0.621 121.177 120.570 -0.023 0.000 2.454 1519 I HA -0.307 3.863 4.170 -0.002 0.000 0.254 1519 I C 2.398 178.469 176.117 -0.076 0.000 1.156 1519 I CA 1.250 62.505 61.300 -0.075 0.000 1.433 1519 I CB 0.349 38.216 38.000 -0.222 0.000 1.082 1519 I HN 0.160 nan 8.210 nan 0.000 0.432 1520 Q N 1.020 120.783 119.800 -0.062 0.000 2.016 1520 Q HA -0.265 4.074 4.340 -0.002 0.000 0.200 1520 Q C 2.050 178.026 176.000 -0.041 0.000 0.978 1520 Q CA 2.190 57.958 55.803 -0.058 0.000 0.833 1520 Q CB -0.126 28.584 28.738 -0.047 0.000 0.895 1520 Q HN 0.697 nan 8.270 nan 0.000 0.427 1521 E N -0.702 119.485 120.200 -0.022 0.000 2.077 1521 E HA -0.168 4.181 4.350 -0.002 0.000 0.193 1521 E C 1.965 178.563 176.600 -0.002 0.000 0.989 1521 E CA 1.526 57.920 56.400 -0.011 0.000 0.800 1521 E CB -0.376 29.323 29.700 -0.002 0.000 0.746 1521 E HN 0.209 nan 8.360 nan 0.000 0.452 1522 V N 1.654 121.576 119.914 0.015 0.000 2.332 1522 V HA -0.272 3.847 4.120 -0.002 0.000 0.248 1522 V C 2.472 178.573 176.094 0.011 0.000 1.055 1522 V CA 2.119 64.442 62.300 0.039 0.000 1.038 1522 V CB -0.488 31.402 31.823 0.110 0.000 0.651 1522 V HN 0.311 nan 8.190 nan 0.000 0.450 1523 S N -0.114 115.571 115.700 -0.025 0.000 2.368 1523 S HA -0.096 4.373 4.470 -0.002 0.000 0.224 1523 S C 1.928 176.492 174.600 -0.060 0.000 1.029 1523 S CA 1.280 59.439 58.200 -0.068 0.000 0.988 1523 S CB -0.254 62.871 63.200 -0.125 0.000 0.838 1523 S HN 0.394 nan 8.310 nan 0.000 0.462 1524 I N 2.720 123.262 120.570 -0.047 0.000 2.226 1524 I HA -0.129 4.040 4.170 -0.002 0.000 0.245 1524 I C 1.849 177.954 176.117 -0.020 0.000 1.100 1524 I CA 1.199 62.476 61.300 -0.037 0.000 1.374 1524 I CB -1.546 36.436 38.000 -0.031 0.000 1.057 1524 I HN 0.254 nan 8.210 nan 0.000 0.413 1525 N N 1.048 119.741 118.700 -0.011 0.000 2.188 1525 N HA -0.084 4.655 4.740 -0.002 0.000 0.184 1525 N C 1.982 177.491 175.510 -0.003 0.000 1.018 1525 N CA 1.044 54.094 53.050 -0.000 0.000 0.858 1525 N CB -0.229 38.263 38.487 0.007 0.000 0.989 1525 N HN 0.361 nan 8.380 nan 0.000 0.426 1526 I N 0.793 121.354 120.570 -0.014 0.000 2.315 1526 I HA -0.194 3.975 4.170 -0.002 0.000 0.248 1526 I C 2.159 178.254 176.117 -0.037 0.000 1.117 1526 I CA 0.745 62.029 61.300 -0.027 0.000 1.404 1526 I CB -0.170 37.808 38.000 -0.037 0.000 1.071 1526 I HN 0.063 nan 8.210 nan 0.000 0.419 1527 A N 0.924 123.721 122.820 -0.038 0.000 1.930 1527 A HA -0.139 4.180 4.320 -0.002 0.000 0.217 1527 A C 2.259 179.850 177.584 0.012 0.000 1.175 1527 A CA 1.303 53.321 52.037 -0.032 0.000 0.627 1527 A CB -0.665 18.310 19.000 -0.042 0.000 0.815 1527 A HN 0.369 nan 8.150 nan 0.000 0.443 1528 I N -0.562 120.022 120.570 0.023 0.000 2.202 1528 I HA -0.247 3.922 4.170 -0.002 0.000 0.242 1528 I C 2.449 178.602 176.117 0.061 0.000 1.091 1528 I CA 1.401 62.734 61.300 0.055 0.000 1.368 1528 I CB -0.295 37.731 38.000 0.044 0.000 1.058 1528 I HN 0.266 nan 8.210 nan 0.000 0.410 1529 K N 0.475 120.897 120.400 0.037 0.000 2.057 1529 K HA -0.120 4.199 4.320 -0.002 0.000 0.207 1529 K C 2.092 178.730 176.600 0.063 0.000 1.049 1529 K CA 1.255 57.569 56.287 0.044 0.000 0.931 1529 K CB -0.187 32.322 32.500 0.016 0.000 0.714 1529 K HN 0.186 nan 8.250 nan 0.000 0.440 1530 V N 1.506 121.436 119.914 0.027 0.000 2.427 1530 V HA -0.221 3.898 4.120 -0.002 0.000 0.248 1530 V C 2.647 178.793 176.094 0.086 0.000 1.051 1530 V CA 2.269 64.586 62.300 0.030 0.000 1.048 1530 V CB -0.857 30.928 31.823 -0.064 0.000 0.666 1530 V HN 0.554 nan 8.190 nan 0.000 0.456 1531 T N -1.666 112.939 114.554 0.085 0.000 2.867 1531 T HA -0.179 4.170 4.350 -0.002 0.000 0.268 1531 T C 1.627 176.433 174.700 0.177 0.000 1.057 1531 T CA 1.533 63.702 62.100 0.115 0.000 1.136 1531 T CB -0.338 68.652 68.868 0.203 0.000 0.874 1531 T HN 0.583 nan 8.240 nan 0.000 0.466 1532 E N -0.171 120.128 120.200 0.166 0.000 2.106 1532 E HA -0.083 4.266 4.350 -0.002 0.000 0.192 1532 E C 1.845 178.526 176.600 0.135 0.000 0.984 1532 E CA 1.113 57.605 56.400 0.154 0.000 0.806 1532 E CB -0.295 29.469 29.700 0.107 0.000 0.750 1532 E HN 0.670 nan 8.360 nan 0.000 0.458 1533 Y N 1.399 121.711 120.300 0.020 0.000 2.163 1533 Y HA -0.157 4.392 4.550 -0.002 0.000 0.288 1533 Y C 1.934 177.816 175.900 -0.029 0.000 1.136 1533 Y CA 1.266 59.362 58.100 -0.005 0.000 1.147 1533 Y CB -0.138 38.306 38.460 -0.025 0.000 0.987 1533 Y HN -0.075 nan 8.280 nan 0.000 0.509 1534 L N -1.316 119.884 121.223 -0.039 0.000 2.046 1534 L HA -0.265 4.074 4.340 -0.002 0.000 0.208 1534 L C 2.130 178.818 176.870 -0.303 0.000 1.077 1534 L CA 1.613 56.331 54.840 -0.204 0.000 0.747 1534 L CB -0.770 41.169 42.059 -0.200 0.000 0.896 1534 L HN 0.261 nan 8.230 nan 0.000 0.432 1535 Y N -0.501 119.705 120.300 -0.157 0.000 2.220 1535 Y HA -0.198 4.351 4.550 -0.002 0.000 0.291 1535 Y C 2.645 178.434 175.900 -0.185 0.000 1.129 1535 Y CA 0.916 58.912 58.100 -0.173 0.000 1.161 1535 Y CB -0.255 38.125 38.460 -0.134 0.000 0.997 1535 Y HN 0.130 nan 8.280 nan 0.000 0.522 1536 A N 0.109 122.914 122.820 -0.025 0.000 1.972 1536 A HA -0.174 4.145 4.320 -0.002 0.000 0.219 1536 A C 1.516 178.996 177.584 -0.174 0.000 1.169 1536 A CA 1.707 53.689 52.037 -0.091 0.000 0.635 1536 A CB -0.454 18.489 19.000 -0.095 0.000 0.810 1536 A HN 0.460 nan 8.150 nan 0.000 0.446 1537 N N 0.151 118.673 118.700 -0.296 0.000 2.279 1537 N HA 0.068 4.807 4.740 -0.002 0.000 0.226 1537 N C -0.613 174.768 175.510 -0.215 0.000 1.126 1537 N CA 0.003 52.874 53.050 -0.297 0.000 0.846 1537 N CB 0.332 38.514 38.487 -0.509 0.000 1.050 1537 N HN 0.188 nan 8.380 nan 0.000 0.502 1541 F N 1.042 120.933 119.950 -0.097 0.000 2.688 1541 F HA 0.301 4.827 4.527 -0.002 0.000 0.310 1541 F C 1.252 177.137 175.800 0.142 0.000 1.098 1541 F CA -0.290 57.735 58.000 0.042 0.000 1.228 1541 F CB 0.683 39.706 39.000 0.039 0.000 1.042 1541 F HN 0.536 nan 8.300 nan 0.000 0.557 1542 R N 2.307 122.931 120.500 0.206 0.000 2.401 1542 R HA 0.107 4.446 4.340 -0.002 0.000 0.299 1542 R C -1.254 175.209 176.300 0.272 0.000 1.064 1542 R CA 0.055 56.286 56.100 0.218 0.000 1.000 1542 R CB -0.103 30.314 30.300 0.195 0.000 0.973 1542 R HN 0.336 nan 8.270 nan 0.000 0.438 1543 Y N 2.758 123.140 120.300 0.137 0.000 2.499 1543 Y HA 0.694 5.244 4.550 -0.002 0.000 0.347 1543 Y C -2.496 173.437 175.900 0.055 0.000 0.987 1543 Y CA -2.779 55.372 58.100 0.085 0.000 1.044 1543 Y CB 0.592 39.103 38.460 0.085 0.000 1.245 1543 Y HN 0.482 nan 8.280 nan 0.000 0.461 1544 P HA 0.199 nan 4.420 nan 0.000 0.276 1544 P C -1.188 176.081 177.300 -0.052 0.000 1.261 1544 P CA -0.748 62.421 63.100 0.116 0.000 0.800 1544 P CB 0.699 32.437 31.700 0.063 0.000 1.066 1545 E N 1.880 121.994 120.200 -0.144 0.000 2.290 1545 E HA 0.132 4.481 4.350 -0.002 0.000 0.277 1545 E C -1.869 174.450 176.600 -0.468 0.000 1.035 1545 E CA -1.786 54.318 56.400 -0.494 0.000 0.873 1545 E CB 0.158 29.497 29.700 -0.602 0.000 1.029 1545 E HN 0.270 nan 8.360 nan 0.000 0.419 1546 P HA 0.037 nan 4.420 nan 0.000 0.275 1546 P C -0.287 176.828 177.300 -0.309 0.000 1.227 1546 P CA 0.097 62.959 63.100 -0.397 0.000 0.781 1546 P CB 1.184 32.575 31.700 -0.515 0.000 0.906 1547 E N 0.557 120.652 120.200 -0.175 0.000 2.112 1547 E HA -0.109 4.240 4.350 -0.002 0.000 0.190 1547 E C 0.129 176.673 176.600 -0.094 0.000 0.979 1547 E CA 0.962 57.283 56.400 -0.131 0.000 0.814 1547 E CB 0.128 29.778 29.700 -0.083 0.000 0.762 1547 E HN 0.513 nan 8.360 nan 0.000 0.460 1548 D N 0.178 120.544 120.400 -0.057 0.000 2.472 1548 D HA 0.088 4.727 4.640 -0.002 0.000 0.234 1548 D C 0.245 176.560 176.300 0.026 0.000 1.088 1548 D CA -0.267 53.725 54.000 -0.013 0.000 0.882 1548 D CB 0.846 41.648 40.800 0.005 0.000 1.037 1548 D HN -0.298 nan 8.370 nan 0.000 0.520 1549 K N 2.124 122.538 120.400 0.023 0.000 2.152 1549 K HA -0.030 4.289 4.320 -0.002 0.000 0.206 1549 K C 1.820 178.507 176.600 0.146 0.000 1.048 1549 K CA 1.286 57.635 56.287 0.103 0.000 0.933 1549 K CB -0.179 32.376 32.500 0.092 0.000 0.721 1549 K HN 0.462 nan 8.250 nan 0.000 0.447 1550 A N 0.929 123.799 122.820 0.083 0.000 1.898 1550 A HA -0.206 4.113 4.320 -0.002 0.000 0.216 1550 A C 2.122 179.742 177.584 0.060 0.000 1.181 1550 A CA 1.822 53.896 52.037 0.062 0.000 0.620 1550 A CB -0.404 18.617 19.000 0.036 0.000 0.819 1550 A HN 0.295 nan 8.150 nan 0.000 0.442 1551 K N -1.885 118.555 120.400 0.066 0.000 2.097 1551 K HA -0.183 4.136 4.320 -0.002 0.000 0.205 1551 K C 1.926 178.574 176.600 0.081 0.000 1.050 1551 K CA 1.518 57.838 56.287 0.055 0.000 0.938 1551 K CB -0.385 32.145 32.500 0.049 0.000 0.718 1551 K HN 0.483 nan 8.250 nan 0.000 0.442 1552 Y N 1.047 121.346 120.300 -0.003 0.000 2.165 1552 Y HA -0.239 4.310 4.550 -0.001 0.000 0.286 1552 Y C 1.772 177.680 175.900 0.013 0.000 1.155 1552 Y CA 1.574 59.677 58.100 0.005 0.000 1.164 1552 Y CB -0.311 38.156 38.460 0.012 0.000 0.978 1552 Y HN -0.144 nan 8.280 nan 0.000 0.513 1553 V N 0.523 120.415 119.914 -0.037 0.000 2.323 1553 V HA -0.255 3.864 4.120 -0.002 0.000 0.244 1553 V C 2.256 178.281 176.094 -0.115 0.000 1.041 1553 V CA 2.196 64.420 62.300 -0.127 0.000 1.025 1553 V CB -0.549 31.270 31.823 -0.006 0.000 0.656 1553 V HN 0.291 nan 8.190 nan 0.000 0.451 1554 K N -0.037 120.329 120.400 -0.056 0.000 2.097 1554 K HA -0.208 4.111 4.320 -0.002 0.000 0.206 1554 K C 2.091 178.652 176.600 -0.065 0.000 1.049 1554 K CA 1.653 57.910 56.287 -0.050 0.000 0.933 1554 K CB -0.190 32.294 32.500 -0.027 0.000 0.717 1554 K HN 0.520 nan 8.250 nan 0.000 0.442 1555 E N 0.294 120.451 120.200 -0.073 0.000 2.268 1555 E HA -0.130 4.220 4.350 -0.002 0.000 0.195 1555 E C 1.377 177.922 176.600 -0.092 0.000 0.995 1555 E CA 0.737 57.095 56.400 -0.070 0.000 0.836 1555 E CB 0.170 29.839 29.700 -0.052 0.000 0.763 1555 E HN 0.201 nan 8.360 nan 0.000 0.491 1556 R N 0.518 120.934 120.500 -0.140 0.000 2.393 1556 R HA 0.053 4.392 4.340 -0.002 0.000 0.244 1556 R C 0.236 176.495 176.300 -0.070 0.000 0.920 1556 R CA 0.088 56.110 56.100 -0.130 0.000 1.076 1556 R CB 0.625 30.781 30.300 -0.240 0.000 1.119 1556 R HN 0.037 nan 8.270 nan 0.000 0.524 1557 T N -1.906 112.616 114.554 -0.054 0.000 2.884 1557 T HA 0.089 4.438 4.350 -0.002 0.000 0.298 1557 T C -0.279 174.452 174.700 0.051 0.000 0.998 1557 T CA -0.768 61.330 62.100 -0.004 0.000 1.124 1557 T CB 1.235 70.089 68.868 -0.023 0.000 0.931 1557 T HN 0.228 nan 8.240 nan 0.000 0.531 1558 W N 3.871 125.106 121.300 -0.108 0.000 2.190 1558 W HA 0.419 5.078 4.660 -0.002 0.000 0.330 1558 W C -0.097 176.356 176.519 -0.111 0.000 1.299 1558 W CA -0.766 56.515 57.345 -0.106 0.000 1.215 1558 W CB 0.584 29.968 29.460 -0.127 0.000 1.147 1558 W HN 0.539 nan 8.180 nan 0.000 0.563 1559 R N 3.031 123.087 120.500 -0.739 0.000 2.732 1559 R HA 0.207 4.546 4.340 -0.002 0.000 0.278 1559 R C 0.838 176.379 176.300 -1.265 0.000 0.976 1559 R CA -0.309 55.371 56.100 -0.701 0.000 0.963 1559 R CB 1.229 31.267 30.300 -0.437 0.000 1.150 1559 R HN 0.648 nan 8.270 nan 0.000 0.478 1560 S N -0.679 114.564 115.700 -0.762 0.000 2.593 1560 S HA 0.050 4.519 4.470 -0.002 0.000 0.217 1560 S C 0.105 174.396 174.600 -0.516 0.000 0.966 1560 S CA -0.151 57.669 58.200 -0.633 0.000 0.914 1560 S CB -0.000 63.087 63.200 -0.188 0.000 0.776 1560 S HN 0.441 nan 8.310 nan 0.000 0.523 1561 E N 1.437 121.357 120.200 -0.467 0.000 2.366 1561 E HA 0.334 4.683 4.350 -0.002 0.000 0.266 1561 E C -0.653 175.758 176.600 -0.315 0.000 1.051 1561 E CA -0.350 55.830 56.400 -0.367 0.000 0.884 1561 E CB 0.191 29.749 29.700 -0.238 0.000 1.006 1561 E HN 0.477 nan 8.360 nan 0.000 0.417 1562 Y N 1.366 121.577 120.300 -0.149 0.000 2.497 1562 Y HA 0.023 4.572 4.550 -0.001 0.000 0.334 1562 Y C 0.660 176.492 175.900 -0.114 0.000 1.199 1562 Y CA 0.018 58.040 58.100 -0.130 0.000 1.425 1562 Y CB 0.681 39.067 38.460 -0.125 0.000 1.291 1562 Y HN 0.358 nan 8.280 nan 0.000 0.562 1563 D N 0.488 120.950 120.400 0.104 0.000 2.268 1563 D HA 0.113 4.752 4.640 -0.002 0.000 0.249 1563 D C -0.684 175.640 176.300 0.040 0.000 1.008 1563 D CA -0.478 53.545 54.000 0.038 0.000 0.939 1563 D CB 1.822 42.638 40.800 0.026 0.000 1.170 1563 D HN 0.339 nan 8.370 nan 0.000 0.468 1564 S N 0.386 116.105 115.700 0.032 0.000 2.528 1564 S HA 0.213 4.682 4.470 -0.002 0.000 0.277 1564 S C 0.877 175.508 174.600 0.052 0.000 1.297 1564 S CA -0.465 57.757 58.200 0.037 0.000 1.052 1564 S CB 0.097 63.316 63.200 0.033 0.000 0.917 1564 S HN 0.304 nan 8.310 nan 0.000 0.492 1565 L N 5.222 126.487 121.223 0.070 0.000 2.818 1565 L HA 0.338 4.678 4.340 -0.002 0.000 0.243 1565 L C -0.135 176.778 176.870 0.072 0.000 1.185 1565 L CA -0.107 54.786 54.840 0.088 0.000 0.988 1565 L CB -0.079 42.068 42.059 0.147 0.000 1.292 1565 L HN 0.465 nan 8.230 nan 0.000 0.519 1566 L N 2.596 123.855 121.223 0.059 0.000 2.380 1566 L HA 0.241 4.580 4.340 -0.002 0.000 0.273 1566 L C -1.497 175.401 176.870 0.046 0.000 1.138 1566 L CA -1.540 53.328 54.840 0.047 0.000 0.832 1566 L CB 0.423 42.508 42.059 0.043 0.000 1.124 1566 L HN -0.012 nan 8.230 nan 0.000 0.454 1567 P HA 0.035 nan 4.420 nan 0.000 0.275 1567 P C -0.954 176.383 177.300 0.062 0.000 1.228 1567 P CA -0.498 62.627 63.100 0.042 0.000 0.786 1567 P CB 0.809 32.520 31.700 0.019 0.000 0.927 1568 D N 1.776 122.234 120.400 0.096 0.000 2.348 1568 D HA 0.134 4.773 4.640 -0.002 0.000 0.259 1568 D C -0.580 175.848 176.300 0.214 0.000 1.296 1568 D CA 0.099 54.202 54.000 0.172 0.000 0.931 1568 D CB -0.180 40.747 40.800 0.211 0.000 1.067 1568 D HN -0.054 nan 8.370 nan 0.000 0.503 1569 V N 5.940 125.950 119.914 0.160 0.000 2.435 1569 V HA 0.531 4.650 4.120 -0.002 0.000 0.290 1569 V C -0.425 175.761 176.094 0.154 0.000 1.030 1569 V CA -0.629 61.691 62.300 0.034 0.000 0.881 1569 V CB 0.675 32.488 31.823 -0.016 0.000 0.983 1569 V HN 0.443 nan 8.190 nan 0.000 0.445 1570 Y N 0.871 121.163 120.300 -0.013 0.000 2.641 1570 Y HA 0.675 5.225 4.550 -0.001 0.000 0.333 1570 Y C -0.686 175.227 175.900 0.022 0.000 1.174 1570 Y CA -1.304 56.809 58.100 0.022 0.000 1.057 1570 Y CB 1.259 39.757 38.460 0.063 0.000 1.322 1570 Y HN 0.554 nan 8.280 nan 0.000 0.457 1571 E N 1.537 121.847 120.200 0.185 0.000 2.331 1571 E HA 0.223 4.572 4.350 -0.002 0.000 0.272 1571 E C -1.435 175.380 176.600 0.359 0.000 1.036 1571 E CA -0.541 55.947 56.400 0.147 0.000 0.864 1571 E CB 0.661 30.434 29.700 0.122 0.000 1.035 1571 E HN 0.572 nan 8.360 nan 0.000 0.408 1572 W N 3.438 124.767 121.300 0.049 0.000 2.438 1572 W HA 0.330 4.989 4.660 -0.001 0.000 0.324 1572 W C -1.499 175.050 176.519 0.050 0.000 1.119 1572 W CA -2.218 55.167 57.345 0.068 0.000 1.221 1572 W CB -0.182 29.295 29.460 0.028 0.000 1.253 1572 W HN 0.600 nan 8.180 nan 0.000 0.555 1573 P HA 0.000 nan 4.420 nan 0.000 0.216 1573 P CA 0.000 63.151 63.100 0.085 0.000 0.800 1573 P CB 0.000 31.701 31.700 0.001 0.000 0.726