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 3izi_1_C DATA FIRST_RESID 1027 DATA SEQUENCE VLPENMKRYM GRDAQRMNIL AGRIIAETVR STLGPKGMDK MLVDDLGDVV DATA SEQUENCE VTNDGVTILR EMSVEHPAAK MLIEVAKTQE KEVGDGTTTA VVVAGELLRK DATA SEQUENCE AEELLDQNVH PTIVVKGYQA AAQKAQELLK TIACEVGAQD KEILTKIAMT DATA SEQUENCE SITGKGAEKA KEKLAEIIVE AVSAVVDDEG KVDKDLIKIE KKSGASIDDT DATA SEQUENCE ELIKGVLVDK ERVSAQMPKK VTDAKIALLN CAIEIKETET DAEIRITDPA DATA SEQUENCE KLMEFIEQEE KMLKDMVAEI KASGANVLFC QKGIDDLAQH YLAKEGIVAA DATA SEQUENCE RRVKKSDMEK LAKATGANVI AAIAALSAQD LGDAGLVEER KISGDSMIFV DATA SEQUENCE EECKHPKAVT MLIRGTTEHV IEEVARAVDD AVGVVGCTIE DGRIVSGGGS DATA SEQUENCE TEVELSMKLR EYAEGISGRE QLAVRAFADA LEVIPRTLAE NAGLDAIEIL DATA SEQUENCE VKVRAAHASN GNKCAGLNVF TGAVEDMCEN GVVEPLRVKT QAIQSAAEST DATA SEQUENCE EMLLRIDDVI AAE 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 1027 V HA 0.000 nan 4.120 nan 0.000 0.244 1027 V C 0.000 176.094 176.094 0.000 0.000 1.182 1027 V CA 0.000 62.300 62.300 0.000 0.000 1.235 1027 V CB 0.000 31.825 31.823 0.003 0.000 1.184 1028 L N 3.837 125.059 121.223 -0.002 0.000 2.334 1028 L HA 0.625 4.964 4.340 -0.001 0.000 0.277 1028 L C -2.016 174.850 176.870 -0.006 0.000 1.075 1028 L CA -1.443 53.395 54.840 -0.003 0.000 0.804 1028 L CB 0.251 42.306 42.059 -0.007 0.000 1.174 1028 L HN 0.170 nan 8.230 nan 0.000 0.438 1029 P HA 0.067 nan 4.420 nan 0.000 0.272 1029 P C -0.636 176.659 177.300 -0.010 0.000 1.223 1029 P CA -0.571 62.525 63.100 -0.006 0.000 0.784 1029 P CB 0.578 32.276 31.700 -0.004 0.000 0.923 1030 E N 1.885 122.079 120.200 -0.010 0.000 2.415 1030 E HA -0.042 4.308 4.350 -0.001 0.000 0.260 1030 E C 0.627 177.220 176.600 -0.013 0.000 1.016 1030 E CA 0.811 57.204 56.400 -0.012 0.000 0.924 1030 E CB -0.438 29.255 29.700 -0.010 0.000 0.961 1030 E HN 0.610 nan 8.360 nan 0.000 0.459 1031 N N 2.355 121.045 118.700 -0.017 0.000 2.990 1031 N HA -0.200 4.540 4.740 -0.001 0.000 0.163 1031 N C -0.634 174.864 175.510 -0.019 0.000 1.452 1031 N CA 0.872 53.912 53.050 -0.017 0.000 1.624 1031 N CB -1.140 37.341 38.487 -0.011 0.000 1.088 1031 N HN 0.483 nan 8.380 nan 0.000 0.695 1032 M N 2.606 122.196 119.600 -0.017 0.000 2.238 1032 M HA 0.260 4.739 4.480 -0.001 0.000 0.350 1032 M C -0.419 175.859 176.300 -0.037 0.000 1.321 1032 M CA 0.492 55.784 55.300 -0.015 0.000 1.097 1032 M CB 0.557 33.153 32.600 -0.007 0.000 1.713 1032 M HN 0.055 nan 8.290 nan 0.000 0.455 1033 K N 4.211 124.587 120.400 -0.040 0.000 2.143 1033 K HA 0.512 4.832 4.320 -0.001 0.000 0.272 1033 K C -0.640 175.871 176.600 -0.150 0.000 1.001 1033 K CA -0.664 55.545 56.287 -0.130 0.000 0.915 1033 K CB 1.422 33.841 32.500 -0.135 0.000 1.047 1033 K HN 0.635 nan 8.250 nan 0.000 0.458 1034 R N 2.450 122.778 120.500 -0.287 0.000 2.628 1034 R HA 0.320 4.660 4.340 -0.001 0.000 0.288 1034 R C -1.601 174.483 176.300 -0.360 0.000 0.980 1034 R CA -0.586 55.399 56.100 -0.191 0.000 0.891 1034 R CB 0.950 31.200 30.300 -0.083 0.000 1.188 1034 R HN 0.534 nan 8.270 nan 0.000 0.450 1035 Y N 4.575 124.886 120.300 0.018 0.000 2.446 1035 Y HA 0.547 5.096 4.550 -0.001 0.000 0.345 1035 Y C 0.261 176.167 175.900 0.010 0.000 0.984 1035 Y CA -0.893 57.217 58.100 0.016 0.000 1.058 1035 Y CB 2.210 40.684 38.460 0.024 0.000 1.220 1035 Y HN 0.404 nan 8.280 nan 0.000 0.455 1036 M N 1.102 120.786 119.600 0.140 0.000 2.534 1036 M HA 0.755 5.234 4.480 -0.001 0.000 0.280 1036 M C 0.042 176.376 176.300 0.057 0.000 1.217 1036 M CA -0.203 55.143 55.300 0.078 0.000 0.893 1036 M CB 1.311 33.936 32.600 0.042 0.000 1.730 1036 M HN 0.845 nan 8.290 nan 0.000 0.483 1037 G N 3.035 111.855 108.800 0.034 0.000 2.629 1037 G HA2 -0.408 3.552 3.960 -0.001 0.000 0.313 1037 G HA3 -0.408 3.552 3.960 -0.001 0.000 0.313 1037 G C 0.510 175.416 174.900 0.010 0.000 1.217 1037 G CA 1.523 46.629 45.100 0.010 0.000 0.994 1037 G HN 1.172 nan 8.290 nan 0.000 0.549 1038 R N 1.027 121.530 120.500 0.005 0.000 2.159 1038 R HA -0.004 4.335 4.340 -0.001 0.000 0.237 1038 R C 2.130 178.449 176.300 0.031 0.000 1.131 1038 R CA 2.631 58.734 56.100 0.005 0.000 0.982 1038 R CB -0.623 29.678 30.300 0.001 0.000 0.868 1038 R HN 0.603 nan 8.270 nan 0.000 0.453 1039 D N -0.421 120.020 120.400 0.067 0.000 2.162 1039 D HA -0.012 4.628 4.640 -0.001 0.000 0.203 1039 D C 1.619 178.016 176.300 0.161 0.000 0.967 1039 D CA 1.381 55.465 54.000 0.141 0.000 0.840 1039 D CB -0.139 40.773 40.800 0.187 0.000 0.972 1039 D HN 0.354 nan 8.370 nan 0.000 0.482 1040 A N 1.095 123.995 122.820 0.133 0.000 1.930 1040 A HA -0.174 4.146 4.320 -0.001 0.000 0.217 1040 A C 2.146 179.723 177.584 -0.012 0.000 1.175 1040 A CA 1.153 53.241 52.037 0.085 0.000 0.627 1040 A CB -0.235 18.817 19.000 0.086 0.000 0.815 1040 A HN 0.064 nan 8.150 nan 0.000 0.443 1041 Q N -0.701 119.096 119.800 -0.006 0.000 2.062 1041 Q HA -0.099 4.241 4.340 -0.001 0.000 0.196 1041 Q C 2.277 178.251 176.000 -0.043 0.000 0.967 1041 Q CA 1.378 57.165 55.803 -0.026 0.000 0.832 1041 Q CB -0.413 28.312 28.738 -0.022 0.000 0.899 1041 Q HN 0.750 nan 8.270 nan 0.000 0.442 1042 R N 0.296 120.776 120.500 -0.032 0.000 2.083 1042 R HA -0.109 4.230 4.340 -0.001 0.000 0.237 1042 R C 2.285 178.523 176.300 -0.104 0.000 1.137 1042 R CA 1.368 57.441 56.100 -0.044 0.000 0.951 1042 R CB -0.175 30.119 30.300 -0.010 0.000 0.851 1042 R HN 0.184 nan 8.270 nan 0.000 0.434 1043 M N 1.034 120.539 119.600 -0.157 0.000 2.086 1043 M HA -0.162 4.317 4.480 -0.001 0.000 0.261 1043 M C 1.156 177.250 176.300 -0.344 0.000 1.067 1043 M CA 1.814 56.911 55.300 -0.338 0.000 1.116 1043 M CB -0.769 31.399 32.600 -0.720 0.000 1.348 1043 M HN 0.136 nan 8.290 nan 0.000 0.407 1044 N N 0.862 119.424 118.700 -0.230 0.000 2.166 1044 N HA -0.080 4.660 4.740 -0.001 0.000 0.186 1044 N C 1.809 177.234 175.510 -0.141 0.000 1.019 1044 N CA 1.439 54.389 53.050 -0.166 0.000 0.856 1044 N CB -0.463 37.971 38.487 -0.088 0.000 0.993 1044 N HN 0.483 nan 8.380 nan 0.000 0.426 1045 I N 0.128 120.630 120.570 -0.115 0.000 2.315 1045 I HA -0.197 3.973 4.170 -0.001 0.000 0.248 1045 I C 1.608 177.655 176.117 -0.117 0.000 1.117 1045 I CA 0.539 61.789 61.300 -0.084 0.000 1.404 1045 I CB -0.033 37.936 38.000 -0.051 0.000 1.071 1045 I HN 0.019 nan 8.210 nan 0.000 0.419 1046 L N 0.659 121.782 121.223 -0.167 0.000 2.093 1046 L HA -0.118 4.221 4.340 -0.001 0.000 0.208 1046 L C 2.662 179.377 176.870 -0.259 0.000 1.085 1046 L CA 1.967 56.694 54.840 -0.189 0.000 0.755 1046 L CB -1.265 40.674 42.059 -0.201 0.000 0.904 1046 L HN 0.183 nan 8.230 nan 0.000 0.435 1047 A N -0.624 121.958 122.820 -0.397 0.000 1.858 1047 A HA -0.087 4.233 4.320 -0.001 0.000 0.216 1047 A C 2.409 179.899 177.584 -0.157 0.000 1.190 1047 A CA 1.723 53.517 52.037 -0.405 0.000 0.617 1047 A CB -1.341 17.406 19.000 -0.422 0.000 0.827 1047 A HN 0.419 nan 8.150 nan 0.000 0.443 1048 G N -0.929 107.799 108.800 -0.120 0.000 2.408 1048 G HA2 -0.209 3.751 3.960 -0.001 0.000 0.217 1048 G HA3 -0.209 3.751 3.960 -0.001 0.000 0.217 1048 G C 1.745 176.609 174.900 -0.060 0.000 1.150 1048 G CA 0.984 46.045 45.100 -0.066 0.000 0.776 1048 G HN 0.551 nan 8.290 nan 0.000 0.542 1049 R N 0.002 120.459 120.500 -0.072 0.000 2.075 1049 R HA 0.065 4.405 4.340 -0.001 0.000 0.232 1049 R C 2.506 178.774 176.300 -0.052 0.000 1.126 1049 R CA 1.038 57.102 56.100 -0.059 0.000 0.963 1049 R CB -0.311 29.954 30.300 -0.058 0.000 0.858 1049 R HN 0.406 nan 8.270 nan 0.000 0.435 1050 I N 0.779 121.313 120.570 -0.060 0.000 2.226 1050 I HA -0.288 3.882 4.170 -0.001 0.000 0.245 1050 I C 2.070 178.171 176.117 -0.026 0.000 1.100 1050 I CA 0.821 62.098 61.300 -0.039 0.000 1.374 1050 I CB -0.189 37.789 38.000 -0.036 0.000 1.057 1050 I HN 0.212 nan 8.210 nan 0.000 0.413 1051 I N 1.065 121.619 120.570 -0.026 0.000 2.179 1051 I HA -0.265 3.904 4.170 -0.001 0.000 0.242 1051 I C 2.831 178.934 176.117 -0.023 0.000 1.088 1051 I CA 1.778 63.067 61.300 -0.017 0.000 1.357 1051 I CB -1.507 36.486 38.000 -0.013 0.000 1.051 1051 I HN 0.186 nan 8.210 nan 0.000 0.409 1052 A N 0.156 122.957 122.820 -0.032 0.000 1.969 1052 A HA -0.158 4.162 4.320 -0.001 0.000 0.218 1052 A C 2.170 179.733 177.584 -0.035 0.000 1.169 1052 A CA 1.175 53.190 52.037 -0.037 0.000 0.635 1052 A CB -0.373 18.600 19.000 -0.045 0.000 0.810 1052 A HN 0.338 nan 8.150 nan 0.000 0.445 1053 E N -0.298 119.882 120.200 -0.033 0.000 2.110 1053 E HA -0.112 4.238 4.350 -0.001 0.000 0.193 1053 E C 2.085 178.669 176.600 -0.025 0.000 0.988 1053 E CA 1.698 58.080 56.400 -0.030 0.000 0.804 1053 E CB -0.609 29.074 29.700 -0.028 0.000 0.745 1053 E HN 0.600 nan 8.360 nan 0.000 0.458 1054 T N 0.742 115.283 114.554 -0.022 0.000 2.770 1054 T HA -0.048 4.302 4.350 -0.001 0.000 0.263 1054 T C 2.121 176.809 174.700 -0.020 0.000 1.039 1054 T CA 0.973 63.062 62.100 -0.018 0.000 1.142 1054 T CB -0.099 68.762 68.868 -0.012 0.000 0.868 1054 T HN -0.036 nan 8.240 nan 0.000 0.435 1055 V N 2.759 122.660 119.914 -0.022 0.000 2.591 1055 V HA -0.112 4.007 4.120 -0.001 0.000 0.249 1055 V C 2.630 178.707 176.094 -0.028 0.000 1.053 1055 V CA 1.503 63.790 62.300 -0.023 0.000 1.068 1055 V CB -0.679 31.130 31.823 -0.023 0.000 0.689 1055 V HN 0.522 nan 8.190 nan 0.000 0.462 1056 R N 1.664 122.144 120.500 -0.033 0.000 2.200 1056 R HA -0.142 4.197 4.340 -0.001 0.000 0.234 1056 R C 2.063 178.341 176.300 -0.037 0.000 1.127 1056 R CA 1.731 57.809 56.100 -0.038 0.000 0.989 1056 R CB -0.883 29.392 30.300 -0.042 0.000 0.869 1056 R HN 0.598 nan 8.270 nan 0.000 0.459 1057 S N 0.281 115.962 115.700 -0.033 0.000 2.555 1057 S HA -0.077 4.393 4.470 -0.001 0.000 0.230 1057 S C 1.697 176.277 174.600 -0.033 0.000 0.978 1057 S CA 0.820 59.000 58.200 -0.033 0.000 0.934 1057 S CB -0.060 63.123 63.200 -0.028 0.000 0.766 1057 S HN 0.587 nan 8.310 nan 0.000 0.533 1058 T N -1.035 113.500 114.554 -0.030 0.000 3.060 1058 T HA 0.333 4.683 4.350 -0.001 0.000 0.249 1058 T C 0.375 175.057 174.700 -0.031 0.000 1.079 1058 T CA -0.496 61.588 62.100 -0.028 0.000 1.013 1058 T CB -0.446 68.409 68.868 -0.021 0.000 0.975 1058 T HN 0.279 nan 8.240 nan 0.000 0.518 1059 L N 2.851 124.052 121.223 -0.036 0.000 2.462 1059 L HA 0.523 4.862 4.340 -0.001 0.000 0.272 1059 L C 0.702 177.543 176.870 -0.048 0.000 1.166 1059 L CA 1.596 56.412 54.840 -0.039 0.000 0.880 1059 L CB -0.668 41.364 42.059 -0.044 0.000 1.142 1059 L HN 0.703 nan 8.230 nan 0.000 0.473 1060 G N 4.046 112.821 108.800 -0.042 0.000 2.663 1060 G HA2 -0.149 3.811 3.960 -0.001 0.000 0.686 1060 G HA3 -0.149 3.811 3.960 -0.001 0.000 0.686 1060 G C -2.115 172.747 174.900 -0.064 0.000 1.288 1060 G CA -0.456 44.611 45.100 -0.055 0.000 0.836 1060 G HN 0.482 nan 8.290 nan 0.000 0.584 1061 P HA -0.009 nan 4.420 nan 0.000 0.219 1061 P C 1.369 178.554 177.300 -0.193 0.000 1.146 1061 P CA 1.479 64.510 63.100 -0.115 0.000 0.808 1061 P CB 0.053 31.605 31.700 -0.247 0.000 0.779 1062 K N -0.780 119.482 120.400 -0.230 0.000 2.437 1062 K HA 0.266 4.586 4.320 -0.001 0.000 0.205 1062 K C 0.931 177.469 176.600 -0.103 0.000 1.026 1062 K CA -0.204 55.974 56.287 -0.181 0.000 1.153 1062 K CB -0.301 32.070 32.500 -0.214 0.000 0.863 1062 K HN 0.017 nan 8.250 nan 0.000 0.502 1063 G N 0.523 109.275 108.800 -0.079 0.000 2.594 1063 G HA2 0.168 4.128 3.960 -0.001 0.000 0.243 1063 G HA3 0.168 4.128 3.960 -0.001 0.000 0.243 1063 G C 0.036 174.913 174.900 -0.040 0.000 1.229 1063 G CA -0.385 44.683 45.100 -0.053 0.000 0.843 1063 G HN -0.020 nan 8.290 nan 0.000 0.578 1064 M N 0.071 119.651 119.600 -0.033 0.000 2.705 1064 M HA 0.401 4.881 4.480 -0.001 0.000 0.272 1064 M C -0.483 175.805 176.300 -0.021 0.000 1.172 1064 M CA -0.576 54.709 55.300 -0.026 0.000 0.901 1064 M CB 1.235 33.819 32.600 -0.027 0.000 1.516 1064 M HN 0.344 nan 8.290 nan 0.000 0.530 1065 D N 0.554 120.943 120.400 -0.019 0.000 2.326 1065 D HA 0.473 5.113 4.640 -0.001 0.000 0.248 1065 D C -0.533 175.755 176.300 -0.019 0.000 1.001 1065 D CA -0.335 53.654 54.000 -0.017 0.000 0.961 1065 D CB 1.271 42.061 40.800 -0.017 0.000 1.183 1065 D HN 0.089 nan 8.370 nan 0.000 0.502 1066 K N 0.777 121.166 120.400 -0.019 0.000 2.259 1066 K HA 0.433 4.753 4.320 -0.001 0.000 0.252 1066 K C -0.579 176.006 176.600 -0.024 0.000 0.936 1066 K CA -0.651 55.625 56.287 -0.019 0.000 0.810 1066 K CB 2.309 34.800 32.500 -0.015 0.000 1.143 1066 K HN 0.428 nan 8.250 nan 0.000 0.427 1067 M N 4.055 123.640 119.600 -0.026 0.000 2.036 1067 M HA 0.262 4.742 4.480 -0.001 0.000 0.337 1067 M C -1.545 174.739 176.300 -0.026 0.000 1.012 1067 M CA -0.923 54.357 55.300 -0.033 0.000 0.962 1067 M CB 0.315 32.894 32.600 -0.036 0.000 1.423 1067 M HN 0.333 nan 8.290 nan 0.000 0.405 1068 L N 5.965 127.173 121.223 -0.025 0.000 2.265 1068 L HA 0.494 4.833 4.340 -0.001 0.000 0.289 1068 L C -0.820 176.041 176.870 -0.016 0.000 1.033 1068 L CA -0.237 54.594 54.840 -0.016 0.000 0.814 1068 L CB 1.666 43.720 42.059 -0.010 0.000 1.203 1068 L HN 0.415 nan 8.230 nan 0.000 0.423 1069 V N 2.953 122.860 119.914 -0.012 0.000 2.384 1069 V HA 0.364 4.483 4.120 -0.001 0.000 0.287 1069 V C -0.198 175.894 176.094 -0.004 0.000 1.020 1069 V CA -0.947 61.347 62.300 -0.010 0.000 0.850 1069 V CB 1.525 33.341 31.823 -0.011 0.000 0.987 1069 V HN 0.789 nan 8.190 nan 0.000 0.436 1070 D N 2.373 122.774 120.400 0.000 0.000 2.447 1070 D HA 0.055 4.695 4.640 -0.001 0.000 0.265 1070 D C 0.888 177.189 176.300 0.002 0.000 1.250 1070 D CA -0.474 53.528 54.000 0.002 0.000 1.046 1070 D CB 0.645 41.448 40.800 0.006 0.000 1.095 1070 D HN 0.429 nan 8.370 nan 0.000 0.555 1071 D N -1.692 118.709 120.400 0.002 0.000 2.219 1071 D HA -0.099 4.540 4.640 -0.001 0.000 0.205 1071 D C 1.493 177.795 176.300 0.003 0.000 0.970 1071 D CA 0.684 54.685 54.000 0.002 0.000 0.851 1071 D CB 0.005 40.806 40.800 0.001 0.000 0.943 1071 D HN 0.193 nan 8.370 nan 0.000 0.488 1072 L N -1.101 120.125 121.223 0.005 0.000 2.558 1072 L HA 0.346 4.686 4.340 -0.001 0.000 0.225 1072 L C 2.043 178.918 176.870 0.008 0.000 1.128 1072 L CA 0.972 55.816 54.840 0.007 0.000 0.868 1072 L CB 0.134 42.198 42.059 0.008 0.000 1.006 1072 L HN 0.276 nan 8.230 nan 0.000 0.454 1073 G N -1.499 107.305 108.800 0.007 0.000 2.213 1073 G HA2 -0.262 3.698 3.960 -0.001 0.000 0.226 1073 G HA3 -0.262 3.698 3.960 -0.001 0.000 0.226 1073 G C 0.321 175.228 174.900 0.011 0.000 0.992 1073 G CA 0.113 45.217 45.100 0.007 0.000 0.632 1073 G HN 0.333 nan 8.290 nan 0.000 0.511 1074 D N 0.952 121.363 120.400 0.017 0.000 2.401 1074 D HA 0.414 5.054 4.640 -0.001 0.000 0.254 1074 D C 0.258 176.569 176.300 0.019 0.000 1.192 1074 D CA 0.505 54.522 54.000 0.029 0.000 0.885 1074 D CB 1.315 42.136 40.800 0.034 0.000 1.147 1074 D HN 0.587 nan 8.370 nan 0.000 0.478 1075 V N 4.887 124.808 119.914 0.012 0.000 2.555 1075 V HA 0.607 4.727 4.120 -0.001 0.000 0.302 1075 V C -1.054 175.013 176.094 -0.044 0.000 1.038 1075 V CA -0.638 61.647 62.300 -0.025 0.000 0.887 1075 V CB 1.905 33.695 31.823 -0.055 0.000 0.991 1075 V HN 0.344 nan 8.190 nan 0.000 0.434 1076 V N 6.931 126.822 119.914 -0.038 0.000 2.604 1076 V HA 0.710 4.830 4.120 -0.001 0.000 0.305 1076 V C -0.893 175.169 176.094 -0.054 0.000 1.043 1076 V CA -0.232 62.049 62.300 -0.032 0.000 0.888 1076 V CB 2.272 34.104 31.823 0.016 0.000 0.995 1076 V HN 0.786 nan 8.190 nan 0.000 0.429 1077 V N 5.854 125.727 119.914 -0.067 0.000 2.417 1077 V HA 0.789 4.909 4.120 -0.001 0.000 0.291 1077 V C 0.089 176.172 176.094 -0.018 0.000 1.024 1077 V CA 0.020 62.289 62.300 -0.052 0.000 0.861 1077 V CB 1.595 33.373 31.823 -0.075 0.000 0.985 1077 V HN 1.075 nan 8.190 nan 0.000 0.436 1078 T N 2.594 117.140 114.554 -0.013 0.000 2.769 1078 T HA 0.312 4.661 4.350 -0.001 0.000 0.306 1078 T C 0.070 174.767 174.700 -0.006 0.000 1.400 1078 T CA -0.360 61.739 62.100 -0.003 0.000 1.007 1078 T CB 1.995 70.865 68.868 0.003 0.000 1.392 1078 T HN 0.656 nan 8.240 nan 0.000 0.500 1079 N N 0.804 119.503 118.700 -0.002 0.000 2.210 1079 N HA 0.082 4.821 4.740 -0.001 0.000 0.203 1079 N C -0.314 175.194 175.510 -0.004 0.000 1.175 1079 N CA 0.015 53.061 53.050 -0.005 0.000 0.894 1079 N CB 0.471 38.956 38.487 -0.004 0.000 1.041 1079 N HN 0.693 nan 8.380 nan 0.000 0.506 1080 D N -0.102 120.298 120.400 -0.001 0.000 2.401 1080 D HA 0.186 4.826 4.640 -0.001 0.000 0.254 1080 D C 1.496 177.795 176.300 -0.003 0.000 1.192 1080 D CA 0.290 54.289 54.000 -0.000 0.000 0.885 1080 D CB 1.014 41.816 40.800 0.004 0.000 1.147 1080 D HN 0.269 nan 8.370 nan 0.000 0.478 1081 G N 2.611 111.408 108.800 -0.005 0.000 2.440 1081 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.218 1081 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.218 1081 G C 1.513 176.411 174.900 -0.004 0.000 1.154 1081 G CA 0.731 45.827 45.100 -0.007 0.000 0.767 1081 G HN 0.488 nan 8.290 nan 0.000 0.552 1082 V N 0.825 120.738 119.914 -0.002 0.000 2.270 1082 V HA -0.171 3.949 4.120 -0.001 0.000 0.245 1082 V C 3.179 179.274 176.094 0.001 0.000 1.043 1082 V CA 2.383 64.683 62.300 0.000 0.000 1.014 1082 V CB -0.904 30.919 31.823 0.001 0.000 0.645 1082 V HN 0.401 nan 8.190 nan 0.000 0.447 1083 T N 0.389 114.945 114.554 0.002 0.000 2.720 1083 T HA -0.182 4.168 4.350 -0.001 0.000 0.268 1083 T C 1.795 176.496 174.700 0.002 0.000 1.037 1083 T CA 1.951 64.053 62.100 0.004 0.000 1.144 1083 T CB -0.312 68.559 68.868 0.006 0.000 0.864 1083 T HN 0.339 nan 8.240 nan 0.000 0.444 1084 I N 0.248 120.818 120.570 -0.000 0.000 2.179 1084 I HA -0.137 4.032 4.170 -0.001 0.000 0.242 1084 I C 2.114 178.231 176.117 -0.000 0.000 1.088 1084 I CA 1.007 62.306 61.300 -0.002 0.000 1.357 1084 I CB -0.282 37.715 38.000 -0.005 0.000 1.051 1084 I HN 0.156 nan 8.210 nan 0.000 0.409 1085 L N 0.169 121.392 121.223 0.000 0.000 2.156 1085 L HA -0.088 4.251 4.340 -0.001 0.000 0.208 1085 L C 2.492 179.364 176.870 0.003 0.000 1.095 1085 L CA 1.495 56.336 54.840 0.002 0.000 0.770 1085 L CB -0.956 41.104 42.059 0.001 0.000 0.914 1085 L HN 0.151 nan 8.230 nan 0.000 0.439 1086 R N -0.107 120.395 120.500 0.003 0.000 2.066 1086 R HA -0.106 4.234 4.340 -0.001 0.000 0.232 1086 R C 1.923 178.226 176.300 0.004 0.000 1.131 1086 R CA 1.237 57.339 56.100 0.004 0.000 0.955 1086 R CB 0.044 30.347 30.300 0.004 0.000 0.851 1086 R HN 0.320 nan 8.270 nan 0.000 0.432 1087 E N 1.040 121.242 120.200 0.003 0.000 2.112 1087 E HA -0.075 4.275 4.350 -0.001 0.000 0.190 1087 E C 1.208 177.809 176.600 0.002 0.000 0.979 1087 E CA 0.537 56.939 56.400 0.004 0.000 0.814 1087 E CB -0.355 29.348 29.700 0.004 0.000 0.762 1087 E HN 0.462 nan 8.360 nan 0.000 0.460 1088 M N 0.713 120.314 119.600 0.002 0.000 2.252 1088 M HA 0.098 4.578 4.480 -0.001 0.000 0.333 1088 M C 0.208 176.509 176.300 0.002 0.000 1.111 1088 M CA 0.140 55.441 55.300 0.002 0.000 1.140 1088 M CB 0.433 33.035 32.600 0.002 0.000 1.538 1088 M HN -0.230 nan 8.290 nan 0.000 0.448 1089 S N 2.357 118.057 115.700 0.000 0.000 2.955 1089 S HA 0.468 4.938 4.470 -0.001 0.000 0.294 1089 S C -0.254 174.344 174.600 -0.003 0.000 1.198 1089 S CA -1.001 57.197 58.200 -0.002 0.000 1.008 1089 S CB -0.355 62.842 63.200 -0.005 0.000 1.279 1089 S HN 0.570 nan 8.310 nan 0.000 0.508 1090 V N 3.389 123.303 119.914 0.000 0.000 2.686 1090 V HA 0.215 4.335 4.120 -0.001 0.000 0.295 1090 V C 1.394 177.478 176.094 -0.016 0.000 1.055 1090 V CA -0.103 62.200 62.300 0.005 0.000 1.050 1090 V CB 1.271 33.105 31.823 0.018 0.000 0.984 1090 V HN 0.874 nan 8.190 nan 0.000 0.482 1091 E N 1.929 122.103 120.200 -0.045 0.000 2.256 1091 E HA 0.034 4.384 4.350 -0.001 0.000 0.198 1091 E C 0.458 176.968 176.600 -0.149 0.000 0.908 1091 E CA 0.195 56.519 56.400 -0.127 0.000 0.915 1091 E CB 0.297 29.863 29.700 -0.224 0.000 0.890 1091 E HN 0.743 nan 8.360 nan 0.000 0.484 1092 H N 1.675 120.733 119.070 -0.019 0.000 2.848 1092 H HA 0.074 4.630 4.556 -0.000 0.000 0.317 1092 H C -1.675 173.637 175.328 -0.026 0.000 1.046 1092 H CA -1.217 54.809 56.048 -0.036 0.000 1.470 1092 H CB 1.139 30.865 29.762 -0.059 0.000 1.483 1092 H HN 0.082 nan 8.280 nan 0.000 0.548 1093 P HA -0.134 nan 4.420 nan 0.000 0.218 1093 P C 1.335 178.660 177.300 0.042 0.000 1.148 1093 P CA 1.496 64.625 63.100 0.048 0.000 0.822 1093 P CB 0.269 31.992 31.700 0.039 0.000 0.784 1094 A N 0.242 123.088 122.820 0.043 0.000 1.902 1094 A HA -0.136 4.183 4.320 -0.001 0.000 0.217 1094 A C 2.331 179.923 177.584 0.013 0.000 1.181 1094 A CA 2.156 54.199 52.037 0.011 0.000 0.623 1094 A CB -1.602 17.379 19.000 -0.032 0.000 0.818 1094 A HN 0.203 nan 8.150 nan 0.000 0.443 1095 A N -0.280 122.560 122.820 0.033 0.000 1.933 1095 A HA -0.140 4.180 4.320 -0.001 0.000 0.218 1095 A C 2.070 179.669 177.584 0.025 0.000 1.175 1095 A CA 1.732 53.786 52.037 0.028 0.000 0.628 1095 A CB -0.408 18.626 19.000 0.055 0.000 0.814 1095 A HN 0.555 nan 8.150 nan 0.000 0.444 1096 K N -0.995 119.423 120.400 0.031 0.000 2.147 1096 K HA -0.065 4.254 4.320 -0.001 0.000 0.205 1096 K C 1.831 178.441 176.600 0.017 0.000 1.049 1096 K CA 1.328 57.628 56.287 0.021 0.000 0.936 1096 K CB -0.186 32.327 32.500 0.021 0.000 0.722 1096 K HN 0.376 nan 8.250 nan 0.000 0.446 1097 M N 0.345 119.956 119.600 0.017 0.000 2.334 1097 M HA -0.026 4.454 4.480 -0.001 0.000 0.266 1097 M C 2.137 178.445 176.300 0.013 0.000 1.082 1097 M CA 1.028 56.337 55.300 0.015 0.000 1.141 1097 M CB -0.608 32.002 32.600 0.017 0.000 1.380 1097 M HN 0.183 nan 8.290 nan 0.000 0.440 1098 L N 0.336 121.565 121.223 0.010 0.000 2.083 1098 L HA -0.199 4.141 4.340 -0.001 0.000 0.209 1098 L C 2.218 179.091 176.870 0.005 0.000 1.083 1098 L CA 1.040 55.884 54.840 0.006 0.000 0.752 1098 L CB -0.199 41.860 42.059 -0.001 0.000 0.899 1098 L HN 0.181 nan 8.230 nan 0.000 0.433 1099 I N -0.318 120.256 120.570 0.006 0.000 2.335 1099 I HA -0.307 3.863 4.170 -0.001 0.000 0.251 1099 I C 2.369 178.489 176.117 0.005 0.000 1.129 1099 I CA 1.040 62.343 61.300 0.005 0.000 1.402 1099 I CB -0.341 37.663 38.000 0.007 0.000 1.069 1099 I HN 0.306 nan 8.210 nan 0.000 0.424 1100 E N 0.395 120.599 120.200 0.008 0.000 2.204 1100 E HA -0.152 4.197 4.350 -0.001 0.000 0.195 1100 E C 2.402 179.006 176.600 0.007 0.000 0.990 1100 E CA 1.064 57.468 56.400 0.008 0.000 0.821 1100 E CB -0.209 29.497 29.700 0.010 0.000 0.750 1100 E HN 0.384 nan 8.360 nan 0.000 0.477 1101 V N 1.489 121.407 119.914 0.007 0.000 2.307 1101 V HA -0.220 3.900 4.120 -0.001 0.000 0.245 1101 V C 2.480 178.575 176.094 0.002 0.000 1.045 1101 V CA 1.755 64.059 62.300 0.006 0.000 1.024 1101 V CB -0.853 30.973 31.823 0.005 0.000 0.651 1101 V HN 0.241 nan 8.190 nan 0.000 0.449 1102 A N -0.286 122.535 122.820 0.000 0.000 1.940 1102 A HA -0.248 4.072 4.320 -0.001 0.000 0.219 1102 A C 2.295 179.879 177.584 0.001 0.000 1.176 1102 A CA 2.029 54.066 52.037 -0.001 0.000 0.631 1102 A CB -0.416 18.583 19.000 -0.002 0.000 0.814 1102 A HN 0.557 nan 8.150 nan 0.000 0.446 1103 K N -1.607 118.795 120.400 0.002 0.000 2.062 1103 K HA -0.081 4.238 4.320 -0.001 0.000 0.205 1103 K C 2.137 178.739 176.600 0.003 0.000 1.051 1103 K CA 1.533 57.822 56.287 0.003 0.000 0.941 1103 K CB -0.367 32.135 32.500 0.004 0.000 0.719 1103 K HN 0.422 nan 8.250 nan 0.000 0.440 1104 T N 0.775 115.332 114.554 0.004 0.000 2.995 1104 T HA -0.073 4.276 4.350 -0.001 0.000 0.269 1104 T C 1.774 176.476 174.700 0.004 0.000 1.091 1104 T CA 0.810 62.912 62.100 0.004 0.000 1.128 1104 T CB 0.066 68.938 68.868 0.006 0.000 0.891 1104 T HN 0.085 nan 8.240 nan 0.000 0.492 1105 Q N 0.956 120.757 119.800 0.003 0.000 2.020 1105 Q HA -0.046 4.294 4.340 -0.001 0.000 0.202 1105 Q C 2.301 178.302 176.000 0.001 0.000 0.982 1105 Q CA 1.236 57.039 55.803 0.001 0.000 0.838 1105 Q CB -0.484 28.254 28.738 -0.001 0.000 0.899 1105 Q HN 0.538 nan 8.270 nan 0.000 0.423 1106 E N 0.905 121.106 120.200 0.001 0.000 2.106 1106 E HA -0.146 4.204 4.350 -0.001 0.000 0.192 1106 E C 1.720 178.321 176.600 0.002 0.000 0.984 1106 E CA 0.954 57.354 56.400 0.002 0.000 0.806 1106 E CB 0.230 29.930 29.700 0.002 0.000 0.750 1106 E HN 0.282 nan 8.360 nan 0.000 0.458 1107 K N 0.075 120.476 120.400 0.002 0.000 2.076 1107 K HA -0.128 4.192 4.320 -0.001 0.000 0.204 1107 K C 2.155 178.756 176.600 0.002 0.000 1.051 1107 K CA 1.188 57.476 56.287 0.002 0.000 0.949 1107 K CB -0.013 32.488 32.500 0.002 0.000 0.726 1107 K HN -0.088 nan 8.250 nan 0.000 0.443 1108 E N 0.337 120.538 120.200 0.002 0.000 2.060 1108 E HA -0.097 4.253 4.350 -0.001 0.000 0.189 1108 E C 1.594 178.196 176.600 0.002 0.000 0.974 1108 E CA 1.105 57.507 56.400 0.003 0.000 0.808 1108 E CB 0.515 30.217 29.700 0.003 0.000 0.768 1108 E HN 0.160 nan 8.360 nan 0.000 0.453 1109 V N -4.941 114.974 119.914 0.002 0.000 3.497 1109 V HA 0.586 4.705 4.120 -0.001 0.000 0.272 1109 V C 1.389 177.484 176.094 0.003 0.000 1.474 1109 V CA 0.741 63.043 62.300 0.003 0.000 1.025 1109 V CB 0.493 32.318 31.823 0.003 0.000 0.820 1109 V HN 0.305 nan 8.190 nan 0.000 0.437 1110 G N 0.694 109.495 108.800 0.002 0.000 3.586 1110 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.212 1110 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.212 1110 G C 0.203 175.105 174.900 0.002 0.000 1.411 1110 G CA 0.499 45.600 45.100 0.003 0.000 0.898 1110 G HN 0.628 nan 8.290 nan 0.000 0.575 1111 D N 0.804 121.206 120.400 0.003 0.000 2.511 1111 D HA 0.495 5.134 4.640 -0.001 0.000 0.276 1111 D C 1.519 177.819 176.300 -0.001 0.000 1.220 1111 D CA 1.159 55.160 54.000 0.002 0.000 1.077 1111 D CB 0.655 41.458 40.800 0.004 0.000 1.126 1111 D HN 1.595 nan 8.370 nan 0.000 0.583 1112 G N -0.629 108.169 108.800 -0.004 0.000 2.143 1112 G HA2 -0.312 3.647 3.960 -0.001 0.000 0.249 1112 G HA3 -0.312 3.647 3.960 -0.001 0.000 0.249 1112 G C 1.036 175.930 174.900 -0.011 0.000 0.981 1112 G CA 1.480 46.575 45.100 -0.008 0.000 0.665 1112 G HN 0.593 nan 8.290 nan 0.000 0.528 1113 T N -2.058 112.491 114.554 -0.009 0.000 2.588 1113 T HA -0.149 4.200 4.350 -0.001 0.000 0.261 1113 T C 2.202 176.893 174.700 -0.016 0.000 1.069 1113 T CA 2.620 64.715 62.100 -0.010 0.000 1.172 1113 T CB -1.009 67.855 68.868 -0.007 0.000 0.863 1113 T HN 0.342 nan 8.240 nan 0.000 0.408 1114 T N 1.849 116.393 114.554 -0.017 0.000 2.635 1114 T HA -0.151 4.198 4.350 -0.001 0.000 0.267 1114 T C 2.275 176.956 174.700 -0.032 0.000 1.040 1114 T CA 2.088 64.174 62.100 -0.024 0.000 1.156 1114 T CB -1.241 67.613 68.868 -0.024 0.000 0.863 1114 T HN 0.566 nan 8.240 nan 0.000 0.430 1115 T N 1.999 116.534 114.554 -0.032 0.000 2.635 1115 T HA -0.160 4.189 4.350 -0.001 0.000 0.267 1115 T C 2.345 177.015 174.700 -0.050 0.000 1.040 1115 T CA 1.528 63.603 62.100 -0.042 0.000 1.156 1115 T CB -0.699 68.148 68.868 -0.036 0.000 0.863 1115 T HN 0.473 nan 8.240 nan 0.000 0.430 1116 A N 0.661 123.459 122.820 -0.038 0.000 1.933 1116 A HA -0.038 4.282 4.320 -0.001 0.000 0.218 1116 A C 2.601 180.160 177.584 -0.042 0.000 1.175 1116 A CA 1.439 53.454 52.037 -0.038 0.000 0.628 1116 A CB -0.905 18.082 19.000 -0.020 0.000 0.814 1116 A HN 0.377 nan 8.150 nan 0.000 0.444 1117 V N -0.508 119.385 119.914 -0.036 0.000 2.358 1117 V HA -0.196 3.924 4.120 -0.001 0.000 0.246 1117 V C 2.548 178.613 176.094 -0.048 0.000 1.047 1117 V CA 1.834 64.114 62.300 -0.035 0.000 1.035 1117 V CB -0.734 31.073 31.823 -0.026 0.000 0.658 1117 V HN 0.362 nan 8.190 nan 0.000 0.452 1118 V N 0.848 120.729 119.914 -0.055 0.000 2.307 1118 V HA -0.199 3.921 4.120 -0.001 0.000 0.245 1118 V C 2.581 178.622 176.094 -0.088 0.000 1.045 1118 V CA 2.183 64.444 62.300 -0.065 0.000 1.024 1118 V CB -0.538 31.247 31.823 -0.063 0.000 0.651 1118 V HN 0.564 nan 8.190 nan 0.000 0.449 1119 V N -0.955 118.894 119.914 -0.109 0.000 2.626 1119 V HA -0.064 4.056 4.120 -0.001 0.000 0.252 1119 V C 2.404 178.396 176.094 -0.170 0.000 1.067 1119 V CA 1.684 63.885 62.300 -0.165 0.000 1.081 1119 V CB -1.230 30.472 31.823 -0.203 0.000 0.686 1119 V HN 0.372 nan 8.190 nan 0.000 0.468 1120 A N 1.572 124.326 122.820 -0.111 0.000 1.873 1120 A HA 0.096 4.415 4.320 -0.001 0.000 0.215 1120 A C 2.396 179.942 177.584 -0.062 0.000 1.186 1120 A CA 1.855 53.847 52.037 -0.076 0.000 0.616 1120 A CB -1.481 17.495 19.000 -0.040 0.000 0.823 1120 A HN 0.670 nan 8.150 nan 0.000 0.442 1121 G N -0.743 108.020 108.800 -0.061 0.000 2.422 1121 G HA2 -0.176 3.784 3.960 -0.001 0.000 0.218 1121 G HA3 -0.176 3.784 3.960 -0.001 0.000 0.218 1121 G C 1.461 176.326 174.900 -0.057 0.000 1.140 1121 G CA 1.288 46.357 45.100 -0.052 0.000 0.775 1121 G HN 0.535 nan 8.290 nan 0.000 0.545 1122 E N 0.338 120.489 120.200 -0.082 0.000 2.072 1122 E HA 0.026 4.376 4.350 -0.001 0.000 0.191 1122 E C 2.527 179.071 176.600 -0.094 0.000 0.985 1122 E CA 0.511 56.857 56.400 -0.091 0.000 0.801 1122 E CB -0.366 29.262 29.700 -0.120 0.000 0.750 1122 E HN 0.418 nan 8.360 nan 0.000 0.452 1123 L N -0.080 121.059 121.223 -0.141 0.000 2.046 1123 L HA -0.184 4.155 4.340 -0.001 0.000 0.208 1123 L C 2.425 179.328 176.870 0.056 0.000 1.077 1123 L CA 0.945 55.690 54.840 -0.158 0.000 0.747 1123 L CB -0.385 41.498 42.059 -0.293 0.000 0.896 1123 L HN 0.220 nan 8.230 nan 0.000 0.432 1124 L N -0.764 120.483 121.223 0.040 0.000 2.046 1124 L HA -0.219 4.120 4.340 -0.001 0.000 0.208 1124 L C 2.825 179.719 176.870 0.041 0.000 1.077 1124 L CA 1.126 56.003 54.840 0.061 0.000 0.747 1124 L CB -0.518 41.549 42.059 0.013 0.000 0.896 1124 L HN 0.256 nan 8.230 nan 0.000 0.432 1125 R N 0.345 120.851 120.500 0.010 0.000 2.083 1125 R HA -0.172 4.168 4.340 -0.001 0.000 0.237 1125 R C 2.286 178.603 176.300 0.029 0.000 1.137 1125 R CA 1.299 57.402 56.100 0.005 0.000 0.951 1125 R CB 0.053 30.345 30.300 -0.015 0.000 0.851 1125 R HN 0.148 nan 8.270 nan 0.000 0.434 1126 K N 0.223 120.653 120.400 0.050 0.000 2.148 1126 K HA -0.050 4.270 4.320 -0.001 0.000 0.204 1126 K C 1.945 178.625 176.600 0.134 0.000 1.050 1126 K CA 1.184 57.524 56.287 0.089 0.000 0.942 1126 K CB -0.328 32.233 32.500 0.102 0.000 0.724 1126 K HN 0.272 nan 8.250 nan 0.000 0.446 1127 A N 1.425 124.346 122.820 0.168 0.000 1.883 1127 A HA -0.225 4.095 4.320 -0.001 0.000 0.217 1127 A C 2.198 179.806 177.584 0.040 0.000 1.186 1127 A CA 1.916 54.029 52.037 0.126 0.000 0.624 1127 A CB -0.465 18.616 19.000 0.135 0.000 0.822 1127 A HN 0.456 nan 8.150 nan 0.000 0.444 1128 E N -0.471 119.747 120.200 0.030 0.000 2.106 1128 E HA -0.225 4.125 4.350 -0.001 0.000 0.192 1128 E C 2.003 178.608 176.600 0.008 0.000 0.984 1128 E CA 1.122 57.525 56.400 0.006 0.000 0.806 1128 E CB -0.149 29.552 29.700 0.001 0.000 0.750 1128 E HN 0.750 nan 8.360 nan 0.000 0.458 1129 E N -0.085 120.128 120.200 0.021 0.000 2.097 1129 E HA -0.234 4.115 4.350 -0.001 0.000 0.196 1129 E C 1.909 178.520 176.600 0.019 0.000 1.000 1129 E CA 1.137 57.549 56.400 0.021 0.000 0.804 1129 E CB 0.051 29.768 29.700 0.030 0.000 0.740 1129 E HN 0.209 nan 8.360 nan 0.000 0.454 1130 L N 0.280 121.518 121.223 0.025 0.000 2.109 1130 L HA -0.123 4.217 4.340 -0.001 0.000 0.207 1130 L C 2.261 179.127 176.870 -0.008 0.000 1.086 1130 L CA 0.963 55.812 54.840 0.015 0.000 0.760 1130 L CB -0.693 41.377 42.059 0.019 0.000 0.910 1130 L HN 0.233 nan 8.230 nan 0.000 0.437 1131 L N -0.653 120.557 121.223 -0.021 0.000 2.083 1131 L HA -0.218 4.122 4.340 -0.001 0.000 0.209 1131 L C 2.120 178.972 176.870 -0.030 0.000 1.083 1131 L CA 1.649 56.462 54.840 -0.043 0.000 0.752 1131 L CB -0.826 41.202 42.059 -0.052 0.000 0.899 1131 L HN 0.280 nan 8.230 nan 0.000 0.433 1132 D N -1.812 118.579 120.400 -0.015 0.000 2.249 1132 D HA -0.110 4.530 4.640 -0.001 0.000 0.205 1132 D C 1.778 178.076 176.300 -0.003 0.000 0.962 1132 D CA 0.470 54.464 54.000 -0.009 0.000 0.860 1132 D CB 0.218 41.016 40.800 -0.004 0.000 0.955 1132 D HN 0.193 nan 8.370 nan 0.000 0.505 1133 Q N 0.140 119.941 119.800 0.001 0.000 2.373 1133 Q HA 0.060 4.400 4.340 -0.001 0.000 0.206 1133 Q C 0.005 176.009 176.000 0.007 0.000 0.942 1133 Q CA 0.132 55.939 55.803 0.006 0.000 0.953 1133 Q CB 0.206 28.951 28.738 0.012 0.000 1.022 1133 Q HN 0.251 nan 8.270 nan 0.000 0.502 1134 N N -0.855 117.847 118.700 0.003 0.000 2.861 1134 N HA -0.138 4.601 4.740 -0.001 0.000 0.247 1134 N C -1.582 173.940 175.510 0.019 0.000 1.117 1134 N CA 0.262 53.318 53.050 0.010 0.000 0.703 1134 N CB -1.071 37.424 38.487 0.013 0.000 1.052 1134 N HN -0.046 nan 8.380 nan 0.000 0.555 1135 V N 1.823 121.743 119.914 0.010 0.000 2.334 1135 V HA 0.230 4.350 4.120 -0.001 0.000 0.281 1135 V C 0.622 176.727 176.094 0.019 0.000 1.016 1135 V CA -0.870 61.442 62.300 0.019 0.000 0.832 1135 V CB 1.246 33.072 31.823 0.004 0.000 0.999 1135 V HN 0.306 nan 8.190 nan 0.000 0.439 1136 H N 7.783 126.833 119.070 -0.033 0.000 2.928 1136 H HA 0.097 4.653 4.556 -0.000 0.000 0.338 1136 H C -1.731 173.565 175.328 -0.053 0.000 1.047 1136 H CA -1.269 54.759 56.048 -0.035 0.000 1.435 1136 H CB 1.946 31.690 29.762 -0.029 0.000 1.428 1136 H HN 0.351 nan 8.280 nan 0.000 0.590 1137 P HA -0.188 nan 4.420 nan 0.000 0.217 1137 P C 1.402 178.729 177.300 0.045 0.000 1.148 1137 P CA 2.461 65.499 63.100 -0.102 0.000 0.834 1137 P CB 0.018 31.609 31.700 -0.182 0.000 0.783 1138 T N -4.100 110.631 114.554 0.295 0.000 2.995 1138 T HA -0.064 4.286 4.350 -0.001 0.000 0.269 1138 T C 1.623 176.347 174.700 0.039 0.000 1.091 1138 T CA 0.808 62.993 62.100 0.141 0.000 1.128 1138 T CB -0.940 67.988 68.868 0.100 0.000 0.891 1138 T HN -0.048 nan 8.240 nan 0.000 0.492 1139 I N 0.875 121.473 120.570 0.046 0.000 2.480 1139 I HA 0.043 4.213 4.170 -0.001 0.000 0.251 1139 I C 2.576 178.640 176.117 -0.088 0.000 1.124 1139 I CA 0.383 61.674 61.300 -0.016 0.000 1.444 1139 I CB -0.282 37.721 38.000 0.004 0.000 1.098 1139 I HN 0.072 nan 8.210 nan 0.000 0.428 1140 V N 0.724 120.552 119.914 -0.144 0.000 2.295 1140 V HA -0.238 3.881 4.120 -0.001 0.000 0.246 1140 V C 2.561 178.323 176.094 -0.553 0.000 1.049 1140 V CA 2.041 64.119 62.300 -0.371 0.000 1.024 1140 V CB -0.769 30.841 31.823 -0.356 0.000 0.648 1140 V HN 0.439 nan 8.190 nan 0.000 0.447 1141 V N -0.704 119.040 119.914 -0.283 0.000 2.667 1141 V HA -0.144 3.975 4.120 -0.001 0.000 0.252 1141 V C 2.361 178.414 176.094 -0.069 0.000 1.065 1141 V CA 2.190 64.398 62.300 -0.153 0.000 1.083 1141 V CB -0.799 30.991 31.823 -0.054 0.000 0.692 1141 V HN 0.514 nan 8.190 nan 0.000 0.468 1142 K N 2.305 122.663 120.400 -0.069 0.000 2.031 1142 K HA 0.106 4.426 4.320 -0.001 0.000 0.205 1142 K C 2.122 178.714 176.600 -0.013 0.000 1.049 1142 K CA 2.010 58.279 56.287 -0.029 0.000 0.939 1142 K CB -1.264 31.220 32.500 -0.026 0.000 0.717 1142 K HN 0.426 nan 8.250 nan 0.000 0.438 1143 G N -0.716 108.068 108.800 -0.027 0.000 2.408 1143 G HA2 -0.196 3.763 3.960 -0.001 0.000 0.217 1143 G HA3 -0.196 3.763 3.960 -0.001 0.000 0.217 1143 G C 1.135 176.110 174.900 0.124 0.000 1.150 1143 G CA 0.718 45.850 45.100 0.054 0.000 0.776 1143 G HN 0.271 nan 8.290 nan 0.000 0.542 1144 Y N 0.339 120.588 120.300 -0.086 0.000 2.263 1144 Y HA -0.020 4.529 4.550 -0.001 0.000 0.292 1144 Y C 2.852 178.537 175.900 -0.360 0.000 1.130 1144 Y CA 0.915 58.888 58.100 -0.211 0.000 1.179 1144 Y CB -0.927 37.603 38.460 0.117 0.000 0.998 1144 Y HN 0.264 nan 8.280 nan 0.000 0.532 1145 Q N 0.423 120.230 119.800 0.012 0.000 2.083 1145 Q HA -0.047 4.292 4.340 -0.001 0.000 0.198 1145 Q C 2.362 178.303 176.000 -0.098 0.000 0.969 1145 Q CA 1.743 57.526 55.803 -0.032 0.000 0.838 1145 Q CB -0.455 28.287 28.738 0.007 0.000 0.900 1145 Q HN 0.318 nan 8.270 nan 0.000 0.436 1146 A N 0.266 123.053 122.820 -0.054 0.000 1.873 1146 A HA -0.009 4.310 4.320 -0.001 0.000 0.215 1146 A C 2.276 179.817 177.584 -0.073 0.000 1.186 1146 A CA 1.851 53.903 52.037 0.024 0.000 0.616 1146 A CB -1.160 17.930 19.000 0.151 0.000 0.823 1146 A HN 0.500 nan 8.150 nan 0.000 0.442 1147 A N -0.299 122.389 122.820 -0.221 0.000 1.930 1147 A HA 0.225 4.545 4.320 -0.001 0.000 0.217 1147 A C 2.452 179.688 177.584 -0.579 0.000 1.175 1147 A CA 1.884 53.654 52.037 -0.445 0.000 0.627 1147 A CB -0.861 17.764 19.000 -0.625 0.000 0.815 1147 A HN 0.995 nan 8.150 nan 0.000 0.443 1148 A N -1.153 121.256 122.820 -0.684 0.000 1.930 1148 A HA -0.132 4.187 4.320 -0.001 0.000 0.217 1148 A C 2.111 179.603 177.584 -0.153 0.000 1.175 1148 A CA 1.493 53.367 52.037 -0.272 0.000 0.627 1148 A CB -0.392 18.524 19.000 -0.140 0.000 0.815 1148 A HN 0.465 nan 8.150 nan 0.000 0.443 1149 Q N -0.309 119.388 119.800 -0.172 0.000 2.119 1149 Q HA -0.167 4.172 4.340 -0.001 0.000 0.201 1149 Q C 2.017 177.910 176.000 -0.178 0.000 0.972 1149 Q CA 1.847 57.574 55.803 -0.127 0.000 0.847 1149 Q CB -0.338 28.348 28.738 -0.087 0.000 0.903 1149 Q HN 0.633 nan 8.270 nan 0.000 0.433 1150 K N 0.909 121.111 120.400 -0.330 0.000 2.148 1150 K HA 0.010 4.329 4.320 -0.001 0.000 0.204 1150 K C 1.821 178.268 176.600 -0.255 0.000 1.050 1150 K CA 1.148 57.171 56.287 -0.441 0.000 0.942 1150 K CB -0.362 31.491 32.500 -1.079 0.000 0.724 1150 K HN 0.124 nan 8.250 nan 0.000 0.446 1151 A N 0.534 123.243 122.820 -0.184 0.000 1.933 1151 A HA -0.197 4.123 4.320 -0.001 0.000 0.218 1151 A C 2.035 179.596 177.584 -0.039 0.000 1.175 1151 A CA 1.580 53.582 52.037 -0.058 0.000 0.628 1151 A CB -0.484 18.545 19.000 0.049 0.000 0.814 1151 A HN 0.496 nan 8.150 nan 0.000 0.444 1152 Q N -0.875 118.894 119.800 -0.051 0.000 2.084 1152 Q HA -0.212 4.128 4.340 -0.001 0.000 0.202 1152 Q C 2.140 178.119 176.000 -0.035 0.000 0.978 1152 Q CA 1.639 57.423 55.803 -0.033 0.000 0.844 1152 Q CB -0.160 28.558 28.738 -0.033 0.000 0.898 1152 Q HN 0.863 nan 8.270 nan 0.000 0.426 1153 E N 0.766 120.932 120.200 -0.057 0.000 2.072 1153 E HA -0.179 4.171 4.350 -0.001 0.000 0.191 1153 E C 1.988 178.567 176.600 -0.035 0.000 0.985 1153 E CA 0.635 57.007 56.400 -0.047 0.000 0.801 1153 E CB 0.000 29.663 29.700 -0.063 0.000 0.750 1153 E HN 0.295 nan 8.360 nan 0.000 0.452 1154 L N 0.602 121.798 121.223 -0.045 0.000 2.042 1154 L HA -0.212 4.128 4.340 -0.001 0.000 0.210 1154 L C 2.566 179.435 176.870 -0.002 0.000 1.076 1154 L CA 0.923 55.750 54.840 -0.021 0.000 0.749 1154 L CB -0.328 41.717 42.059 -0.024 0.000 0.893 1154 L HN 0.266 nan 8.230 nan 0.000 0.432 1155 L N -0.796 120.424 121.223 -0.004 0.000 2.109 1155 L HA -0.136 4.204 4.340 -0.001 0.000 0.207 1155 L C 2.611 179.483 176.870 0.004 0.000 1.086 1155 L CA 0.786 55.628 54.840 0.004 0.000 0.760 1155 L CB -0.430 41.631 42.059 0.004 0.000 0.910 1155 L HN 0.164 nan 8.230 nan 0.000 0.437 1156 K N -0.149 120.249 120.400 -0.003 0.000 2.211 1156 K HA -0.083 4.236 4.320 -0.001 0.000 0.203 1156 K C 2.071 178.671 176.600 0.001 0.000 1.050 1156 K CA 1.770 58.056 56.287 -0.002 0.000 0.945 1156 K CB -0.355 32.142 32.500 -0.006 0.000 0.732 1156 K HN 0.467 nan 8.250 nan 0.000 0.451 1157 T N -1.890 112.665 114.554 0.001 0.000 3.040 1157 T HA 0.062 4.412 4.350 -0.001 0.000 0.252 1157 T C 1.831 176.537 174.700 0.009 0.000 1.064 1157 T CA -0.016 62.086 62.100 0.004 0.000 1.110 1157 T CB -0.006 68.863 68.868 0.002 0.000 0.921 1157 T HN -0.063 nan 8.240 nan 0.000 0.480 1158 I N 2.134 122.714 120.570 0.015 0.000 2.876 1158 I HA 0.442 4.612 4.170 -0.001 0.000 0.264 1158 I C 1.403 177.533 176.117 0.022 0.000 1.204 1158 I CA -0.625 60.689 61.300 0.025 0.000 1.485 1158 I CB -0.617 37.409 38.000 0.043 0.000 1.103 1158 I HN 0.347 nan 8.210 nan 0.000 0.446 1159 A N 0.037 122.867 122.820 0.016 0.000 2.531 1159 A HA 0.097 4.417 4.320 -0.001 0.000 0.236 1159 A C 0.089 177.679 177.584 0.011 0.000 1.062 1159 A CA 0.044 52.089 52.037 0.013 0.000 0.760 1159 A CB -0.468 18.537 19.000 0.009 0.000 0.995 1159 A HN 0.433 nan 8.150 nan 0.000 0.501 1160 C N 3.127 122.434 119.300 0.011 0.000 2.264 1160 C HA 0.434 4.894 4.460 -0.001 0.000 0.324 1160 C C 0.366 175.360 174.990 0.006 0.000 1.267 1160 C CA -0.579 58.444 59.018 0.008 0.000 1.618 1160 C CB -0.510 27.236 27.740 0.010 0.000 2.278 1160 C HN 0.932 nan 8.230 nan 0.000 0.499 1161 E N 1.336 121.539 120.200 0.004 0.000 2.414 1161 E HA 0.358 4.708 4.350 -0.001 0.000 0.263 1161 E C -0.138 176.464 176.600 0.003 0.000 1.000 1161 E CA 0.403 56.806 56.400 0.003 0.000 0.914 1161 E CB 0.521 30.223 29.700 0.002 0.000 0.948 1161 E HN 0.497 nan 8.360 nan 0.000 0.444 1162 V N 2.147 122.063 119.914 0.003 0.000 3.087 1162 V HA 0.628 4.747 4.120 -0.001 0.000 0.306 1162 V C -0.186 175.909 176.094 0.002 0.000 1.187 1162 V CA -0.589 61.713 62.300 0.003 0.000 0.999 1162 V CB 2.255 34.080 31.823 0.003 0.000 1.049 1162 V HN 0.752 nan 8.190 nan 0.000 0.431 1163 G N 3.163 111.964 108.800 0.002 0.000 2.254 1163 G HA2 0.402 4.361 3.960 -0.001 0.000 0.253 1163 G HA3 0.402 4.361 3.960 -0.001 0.000 0.253 1163 G C 1.028 175.929 174.900 0.002 0.000 1.246 1163 G CA 0.382 45.483 45.100 0.002 0.000 0.946 1163 G HN 1.559 nan 8.290 nan 0.000 0.474 1164 A N 2.634 125.456 122.820 0.002 0.000 1.933 1164 A HA -0.070 4.250 4.320 -0.001 0.000 0.218 1164 A C 2.052 179.638 177.584 0.003 0.000 1.175 1164 A CA 1.213 53.251 52.037 0.002 0.000 0.628 1164 A CB -0.022 18.979 19.000 0.002 0.000 0.814 1164 A HN 0.577 nan 8.150 nan 0.000 0.444 1165 Q N -0.207 119.595 119.800 0.003 0.000 2.198 1165 Q HA 0.058 4.397 4.340 -0.001 0.000 0.209 1165 Q C -0.744 175.257 176.000 0.003 0.000 0.848 1165 Q CA -0.123 55.681 55.803 0.003 0.000 0.974 1165 Q CB 0.062 28.802 28.738 0.003 0.000 1.115 1165 Q HN 0.745 nan 8.270 nan 0.000 0.494 1166 D N 1.076 121.477 120.400 0.002 0.000 2.412 1166 D HA -0.049 4.591 4.640 -0.001 0.000 0.257 1166 D C 1.234 177.535 176.300 0.001 0.000 1.217 1166 D CA 0.159 54.160 54.000 0.001 0.000 0.897 1166 D CB 0.915 41.716 40.800 0.001 0.000 1.132 1166 D HN -0.220 nan 8.370 nan 0.000 0.493 1167 K N 2.995 123.395 120.400 0.001 0.000 2.077 1167 K HA -0.258 4.062 4.320 -0.001 0.000 0.213 1167 K C 1.448 178.048 176.600 -0.001 0.000 1.051 1167 K CA 1.688 57.975 56.287 0.000 0.000 0.929 1167 K CB 0.019 32.519 32.500 -0.000 0.000 0.715 1167 K HN 0.492 nan 8.250 nan 0.000 0.451 1168 E N 0.049 120.248 120.200 -0.002 0.000 2.017 1168 E HA -0.185 4.165 4.350 -0.001 0.000 0.193 1168 E C 2.113 178.712 176.600 -0.003 0.000 0.997 1168 E CA 1.398 57.796 56.400 -0.004 0.000 0.804 1168 E CB -0.469 29.229 29.700 -0.004 0.000 0.757 1168 E HN 0.343 nan 8.360 nan 0.000 0.448 1169 I N 1.217 121.786 120.570 -0.001 0.000 2.335 1169 I HA -0.233 3.937 4.170 -0.001 0.000 0.251 1169 I C 2.248 178.365 176.117 0.001 0.000 1.129 1169 I CA 0.942 62.242 61.300 -0.000 0.000 1.402 1169 I CB -0.165 37.836 38.000 0.001 0.000 1.069 1169 I HN 0.036 nan 8.210 nan 0.000 0.424 1170 L N -0.418 120.805 121.223 0.001 0.000 2.056 1170 L HA -0.188 4.152 4.340 -0.001 0.000 0.207 1170 L C 2.496 179.367 176.870 0.001 0.000 1.078 1170 L CA 1.858 56.699 54.840 0.002 0.000 0.749 1170 L CB -1.174 40.887 42.059 0.002 0.000 0.901 1170 L HN 0.405 nan 8.230 nan 0.000 0.433 1171 T N -3.738 110.815 114.554 -0.001 0.000 2.985 1171 T HA -0.094 4.256 4.350 -0.001 0.000 0.266 1171 T C 1.862 176.559 174.700 -0.005 0.000 1.076 1171 T CA 0.577 62.675 62.100 -0.003 0.000 1.135 1171 T CB 0.006 68.870 68.868 -0.005 0.000 0.890 1171 T HN 0.005 nan 8.240 nan 0.000 0.480 1172 K N 0.795 121.192 120.400 -0.005 0.000 2.062 1172 K HA 0.249 4.568 4.320 -0.001 0.000 0.205 1172 K C 2.127 178.726 176.600 -0.001 0.000 1.051 1172 K CA 0.592 56.875 56.287 -0.007 0.000 0.941 1172 K CB -0.429 32.068 32.500 -0.006 0.000 0.719 1172 K HN 0.266 nan 8.250 nan 0.000 0.440 1173 I N 0.740 121.311 120.570 0.002 0.000 2.179 1173 I HA -0.211 3.958 4.170 -0.001 0.000 0.242 1173 I C 2.162 178.284 176.117 0.007 0.000 1.088 1173 I CA 1.438 62.742 61.300 0.006 0.000 1.357 1173 I CB -1.336 36.668 38.000 0.006 0.000 1.051 1173 I HN 0.090 nan 8.210 nan 0.000 0.409 1174 A N 0.817 123.640 122.820 0.005 0.000 1.873 1174 A HA -0.245 4.074 4.320 -0.001 0.000 0.218 1174 A C 2.409 179.998 177.584 0.007 0.000 1.193 1174 A CA 2.000 54.041 52.037 0.006 0.000 0.629 1174 A CB -0.637 18.365 19.000 0.004 0.000 0.826 1174 A HN 0.355 nan 8.150 nan 0.000 0.447 1175 M N -0.309 119.292 119.600 0.003 0.000 2.132 1175 M HA -0.130 4.350 4.480 -0.001 0.000 0.263 1175 M C 2.427 178.734 176.300 0.012 0.000 1.065 1175 M CA 2.019 57.319 55.300 0.000 0.000 1.122 1175 M CB -0.747 31.844 32.600 -0.016 0.000 1.365 1175 M HN 0.725 nan 8.290 nan 0.000 0.411 1176 T N -2.715 111.848 114.554 0.015 0.000 2.867 1176 T HA -0.095 4.255 4.350 -0.001 0.000 0.268 1176 T C 1.888 176.613 174.700 0.042 0.000 1.057 1176 T CA 1.630 63.751 62.100 0.035 0.000 1.136 1176 T CB -0.457 68.430 68.868 0.031 0.000 0.874 1176 T HN 0.298 nan 8.240 nan 0.000 0.466 1177 S N 0.924 116.640 115.700 0.028 0.000 2.368 1177 S HA 0.050 4.519 4.470 -0.001 0.000 0.224 1177 S C 2.001 176.619 174.600 0.029 0.000 1.029 1177 S CA 0.724 58.939 58.200 0.025 0.000 0.988 1177 S CB -0.616 62.594 63.200 0.017 0.000 0.838 1177 S HN 0.589 nan 8.310 nan 0.000 0.462 1178 I N 1.762 122.349 120.570 0.029 0.000 2.361 1178 I HA -0.100 4.069 4.170 -0.001 0.000 0.251 1178 I C 1.274 177.420 176.117 0.047 0.000 1.133 1178 I CA 0.892 62.211 61.300 0.031 0.000 1.413 1178 I CB -0.904 37.110 38.000 0.024 0.000 1.073 1178 I HN 0.429 nan 8.210 nan 0.000 0.424 1179 T N -0.590 114.005 114.554 0.069 0.000 2.932 1179 T HA 0.322 4.671 4.350 -0.001 0.000 0.312 1179 T C 1.161 175.919 174.700 0.097 0.000 1.071 1179 T CA 0.100 62.273 62.100 0.121 0.000 1.128 1179 T CB 1.289 70.282 68.868 0.209 0.000 0.984 1179 T HN 0.603 nan 8.240 nan 0.000 0.549 1180 G N 1.505 110.363 108.800 0.097 0.000 2.176 1180 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.253 1180 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.253 1180 G C -0.069 174.848 174.900 0.028 0.000 0.979 1180 G CA 0.393 45.515 45.100 0.037 0.000 0.641 1180 G HN 0.943 nan 8.290 nan 0.000 0.530 1181 K N -0.942 119.482 120.400 0.040 0.000 2.350 1181 K HA 0.621 4.940 4.320 -0.001 0.000 0.241 1181 K C 1.494 178.115 176.600 0.035 0.000 0.994 1181 K CA -0.521 55.784 56.287 0.030 0.000 0.839 1181 K CB 1.436 33.952 32.500 0.027 0.000 1.244 1181 K HN 0.160 nan 8.250 nan 0.000 0.443 1182 G N 0.377 109.194 108.800 0.028 0.000 2.422 1182 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.218 1182 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.218 1182 G C 1.290 176.208 174.900 0.030 0.000 1.140 1182 G CA 0.985 46.102 45.100 0.029 0.000 0.775 1182 G HN 0.616 nan 8.290 nan 0.000 0.545 1183 A N 1.691 124.528 122.820 0.028 0.000 2.125 1183 A HA -0.030 4.290 4.320 -0.001 0.000 0.219 1183 A C 2.131 179.730 177.584 0.025 0.000 1.156 1183 A CA 1.764 53.816 52.037 0.025 0.000 0.671 1183 A CB -0.438 18.576 19.000 0.023 0.000 0.794 1183 A HN 0.662 nan 8.150 nan 0.000 0.459 1184 E N 1.231 121.451 120.200 0.033 0.000 2.331 1184 E HA -0.293 4.057 4.350 -0.001 0.000 0.199 1184 E C 1.613 178.226 176.600 0.022 0.000 1.008 1184 E CA 1.365 57.785 56.400 0.033 0.000 0.843 1184 E CB -0.545 29.191 29.700 0.060 0.000 0.761 1184 E HN 0.820 nan 8.360 nan 0.000 0.507 1185 K N 0.859 121.273 120.400 0.024 0.000 2.211 1185 K HA -0.072 4.248 4.320 -0.001 0.000 0.204 1185 K C 1.501 178.106 176.600 0.008 0.000 1.047 1185 K CA 1.489 57.785 56.287 0.016 0.000 0.935 1185 K CB -0.004 32.507 32.500 0.019 0.000 0.728 1185 K HN 0.160 nan 8.250 nan 0.000 0.452 1186 A N 1.772 124.597 122.820 0.009 0.000 2.616 1186 A HA 0.144 4.464 4.320 -0.001 0.000 0.294 1186 A C 1.305 178.891 177.584 0.003 0.000 1.091 1186 A CA -0.563 51.477 52.037 0.005 0.000 0.971 1186 A CB -0.055 18.950 19.000 0.008 0.000 1.222 1186 A HN 0.415 nan 8.150 nan 0.000 0.521 1187 K N 0.164 120.565 120.400 0.002 0.000 2.286 1187 K HA -0.211 4.108 4.320 -0.001 0.000 0.203 1187 K C 0.863 177.460 176.600 -0.005 0.000 1.045 1187 K CA 1.929 58.216 56.287 -0.000 0.000 0.935 1187 K CB -0.102 32.395 32.500 -0.004 0.000 0.737 1187 K HN 0.333 nan 8.250 nan 0.000 0.460 1188 E N 1.487 121.681 120.200 -0.009 0.000 2.046 1188 E HA -0.140 4.210 4.350 -0.001 0.000 0.190 1188 E C 1.913 178.511 176.600 -0.004 0.000 0.982 1188 E CA 1.298 57.692 56.400 -0.010 0.000 0.800 1188 E CB -0.072 29.619 29.700 -0.013 0.000 0.756 1188 E HN 0.257 nan 8.360 nan 0.000 0.449 1189 K N 0.335 120.734 120.400 -0.001 0.000 2.097 1189 K HA -0.080 4.239 4.320 -0.001 0.000 0.205 1189 K C 1.637 178.239 176.600 0.005 0.000 1.050 1189 K CA 0.810 57.098 56.287 0.002 0.000 0.938 1189 K CB -0.252 32.250 32.500 0.004 0.000 0.718 1189 K HN 0.005 nan 8.250 nan 0.000 0.442 1190 L N 0.412 121.638 121.223 0.005 0.000 2.093 1190 L HA 0.036 4.375 4.340 -0.001 0.000 0.208 1190 L C 2.277 179.150 176.870 0.006 0.000 1.085 1190 L CA 1.894 56.739 54.840 0.007 0.000 0.755 1190 L CB -1.151 40.913 42.059 0.009 0.000 0.904 1190 L HN 0.269 nan 8.230 nan 0.000 0.435 1191 A N -0.799 122.023 122.820 0.003 0.000 1.898 1191 A HA -0.225 4.094 4.320 -0.001 0.000 0.216 1191 A C 2.315 179.900 177.584 0.002 0.000 1.181 1191 A CA 1.632 53.670 52.037 0.002 0.000 0.620 1191 A CB -0.497 18.502 19.000 -0.002 0.000 0.819 1191 A HN 0.380 nan 8.150 nan 0.000 0.442 1192 E N 0.330 120.531 120.200 0.002 0.000 2.058 1192 E HA -0.158 4.192 4.350 -0.001 0.000 0.194 1192 E C 1.697 178.300 176.600 0.006 0.000 0.997 1192 E CA 1.593 57.995 56.400 0.003 0.000 0.801 1192 E CB -0.388 29.313 29.700 0.002 0.000 0.746 1192 E HN 0.639 nan 8.360 nan 0.000 0.450 1193 I N -0.329 120.246 120.570 0.007 0.000 2.179 1193 I HA -0.234 3.935 4.170 -0.001 0.000 0.242 1193 I C 1.932 178.054 176.117 0.009 0.000 1.088 1193 I CA 0.759 62.066 61.300 0.010 0.000 1.357 1193 I CB -0.153 37.854 38.000 0.012 0.000 1.051 1193 I HN 0.161 nan 8.210 nan 0.000 0.409 1194 I N -0.362 120.213 120.570 0.008 0.000 2.406 1194 I HA -0.163 4.006 4.170 -0.001 0.000 0.249 1194 I C 2.296 178.416 176.117 0.006 0.000 1.122 1194 I CA 1.068 62.373 61.300 0.007 0.000 1.431 1194 I CB -0.287 37.717 38.000 0.006 0.000 1.087 1194 I HN -0.063 nan 8.210 nan 0.000 0.424 1195 V N 0.230 120.147 119.914 0.006 0.000 2.358 1195 V HA -0.259 3.861 4.120 -0.001 0.000 0.246 1195 V C 2.511 178.609 176.094 0.006 0.000 1.047 1195 V CA 1.917 64.220 62.300 0.005 0.000 1.035 1195 V CB -0.547 31.278 31.823 0.004 0.000 0.658 1195 V HN 0.403 nan 8.190 nan 0.000 0.452 1196 E N 0.847 121.052 120.200 0.007 0.000 2.077 1196 E HA -0.163 4.187 4.350 -0.001 0.000 0.193 1196 E C 2.134 178.740 176.600 0.010 0.000 0.989 1196 E CA 1.681 58.087 56.400 0.009 0.000 0.800 1196 E CB -0.493 29.213 29.700 0.010 0.000 0.746 1196 E HN 0.492 nan 8.360 nan 0.000 0.452 1197 A N 0.030 122.856 122.820 0.010 0.000 1.902 1197 A HA -0.137 4.183 4.320 -0.001 0.000 0.217 1197 A C 2.505 180.094 177.584 0.008 0.000 1.181 1197 A CA 1.729 53.772 52.037 0.009 0.000 0.623 1197 A CB -0.784 18.221 19.000 0.008 0.000 0.818 1197 A HN 0.205 nan 8.150 nan 0.000 0.443 1198 V N -0.332 119.587 119.914 0.007 0.000 2.307 1198 V HA -0.194 3.926 4.120 -0.001 0.000 0.245 1198 V C 2.763 178.861 176.094 0.007 0.000 1.045 1198 V CA 2.241 64.544 62.300 0.006 0.000 1.024 1198 V CB -0.851 30.975 31.823 0.005 0.000 0.651 1198 V HN 0.546 nan 8.190 nan 0.000 0.449 1199 S N 0.190 115.895 115.700 0.008 0.000 2.383 1199 S HA -0.218 4.251 4.470 -0.001 0.000 0.229 1199 S C 2.168 176.775 174.600 0.011 0.000 1.030 1199 S CA 1.509 59.714 58.200 0.009 0.000 1.002 1199 S CB -0.471 62.734 63.200 0.009 0.000 0.829 1199 S HN 0.659 nan 8.310 nan 0.000 0.467 1200 A N 1.113 123.941 122.820 0.013 0.000 1.855 1200 A HA -0.043 4.277 4.320 -0.001 0.000 0.215 1200 A C 2.401 179.995 177.584 0.016 0.000 1.191 1200 A CA 1.758 53.806 52.037 0.018 0.000 0.613 1200 A CB -0.820 18.191 19.000 0.019 0.000 0.829 1200 A HN 0.579 nan 8.150 nan 0.000 0.442 1201 V N -3.210 116.711 119.914 0.011 0.000 3.052 1201 V HA 0.040 4.160 4.120 -0.001 0.000 0.254 1201 V C 2.033 178.131 176.094 0.006 0.000 1.100 1201 V CA 1.365 63.670 62.300 0.009 0.000 1.112 1201 V CB -0.364 31.462 31.823 0.005 0.000 0.738 1201 V HN 0.194 nan 8.190 nan 0.000 0.469 1202 V N 0.552 120.469 119.914 0.006 0.000 2.809 1202 V HA -0.058 4.061 4.120 -0.001 0.000 0.256 1202 V C 1.570 177.666 176.094 0.003 0.000 1.080 1202 V CA 2.289 64.591 62.300 0.004 0.000 1.102 1202 V CB -0.538 31.287 31.823 0.004 0.000 0.705 1202 V HN 0.842 nan 8.190 nan 0.000 0.475 1203 D N -0.650 119.753 120.400 0.004 0.000 4.438 1203 D HA -0.218 4.421 4.640 -0.001 0.000 0.158 1203 D C 0.631 176.932 176.300 0.001 0.000 0.686 1203 D CA 1.926 55.928 54.000 0.002 0.000 1.183 1203 D CB -1.243 39.556 40.800 -0.002 0.000 0.623 1203 D HN 0.557 nan 8.370 nan 0.000 0.521 1204 D N 1.020 121.420 120.400 -0.001 0.000 2.393 1204 D HA 0.288 4.928 4.640 -0.001 0.000 0.246 1204 D C -0.156 176.145 176.300 0.000 0.000 1.275 1204 D CA 0.229 54.228 54.000 -0.001 0.000 0.979 1204 D CB 0.401 41.200 40.800 -0.003 0.000 1.101 1204 D HN 0.154 nan 8.370 nan 0.000 0.505 1205 E N -0.604 119.596 120.200 0.000 0.000 2.731 1205 E HA 0.596 4.946 4.350 -0.001 0.000 0.220 1205 E C -0.181 176.419 176.600 0.000 0.000 1.087 1205 E CA -0.503 55.897 56.400 0.001 0.000 1.020 1205 E CB 0.856 30.556 29.700 0.001 0.000 1.339 1205 E HN 0.502 nan 8.360 nan 0.000 0.444 1206 G N 0.588 109.388 108.800 0.000 0.000 2.328 1206 G HA2 0.353 4.313 3.960 -0.001 0.000 0.299 1206 G HA3 0.353 4.313 3.960 -0.001 0.000 0.299 1206 G C -1.738 173.162 174.900 0.000 0.000 1.435 1206 G CA -0.926 44.174 45.100 0.000 0.000 0.865 1206 G HN 0.025 nan 8.290 nan 0.000 0.601 1207 K N 0.302 120.702 120.400 0.000 0.000 2.581 1207 K HA 0.587 4.906 4.320 -0.001 0.000 0.249 1207 K C -1.662 174.938 176.600 0.000 0.000 0.966 1207 K CA -0.581 55.706 56.287 0.000 0.000 0.811 1207 K CB 2.059 34.559 32.500 -0.001 0.000 1.223 1207 K HN 0.879 nan 8.250 nan 0.000 0.438 1208 V N 3.033 122.948 119.914 0.001 0.000 2.547 1208 V HA 0.428 4.548 4.120 -0.001 0.000 0.299 1208 V C -1.121 174.972 176.094 -0.000 0.000 1.040 1208 V CA -0.515 61.785 62.300 0.001 0.000 0.913 1208 V CB 1.693 33.517 31.823 0.001 0.000 0.992 1208 V HN 0.779 nan 8.190 nan 0.000 0.449 1209 D N 4.540 124.940 120.400 -0.001 0.000 2.441 1209 D HA 0.332 4.972 4.640 -0.001 0.000 0.231 1209 D C 0.787 177.086 176.300 -0.003 0.000 1.073 1209 D CA -0.307 53.692 54.000 -0.002 0.000 0.850 1209 D CB 1.678 42.477 40.800 -0.003 0.000 1.062 1209 D HN 0.553 nan 8.370 nan 0.000 0.524 1210 K N 2.042 122.440 120.400 -0.003 0.000 2.280 1210 K HA -0.152 4.167 4.320 -0.001 0.000 0.202 1210 K C 0.883 177.478 176.600 -0.007 0.000 1.047 1210 K CA 0.826 57.111 56.287 -0.004 0.000 0.942 1210 K CB 0.248 32.746 32.500 -0.003 0.000 0.739 1210 K HN 0.355 nan 8.250 nan 0.000 0.457 1211 D N 0.763 121.158 120.400 -0.008 0.000 2.310 1211 D HA -0.072 4.568 4.640 -0.001 0.000 0.212 1211 D C 1.342 177.633 176.300 -0.015 0.000 0.965 1211 D CA 0.627 54.619 54.000 -0.012 0.000 0.879 1211 D CB 0.157 40.950 40.800 -0.012 0.000 0.921 1211 D HN 0.105 nan 8.370 nan 0.000 0.510 1212 L N -0.186 121.030 121.223 -0.011 0.000 2.492 1212 L HA 0.157 4.497 4.340 -0.001 0.000 0.223 1212 L C 0.354 177.217 176.870 -0.011 0.000 1.132 1212 L CA 0.247 55.081 54.840 -0.011 0.000 0.850 1212 L CB 0.133 42.189 42.059 -0.005 0.000 0.966 1212 L HN 0.019 nan 8.230 nan 0.000 0.454 1213 I N 0.568 121.131 120.570 -0.010 0.000 2.390 1213 I HA 0.180 4.350 4.170 -0.001 0.000 0.283 1213 I C -0.088 176.020 176.117 -0.015 0.000 1.016 1213 I CA -0.641 60.653 61.300 -0.009 0.000 1.151 1213 I CB 1.404 39.402 38.000 -0.004 0.000 1.293 1213 I HN -0.148 nan 8.210 nan 0.000 0.458 1214 K N 7.269 127.656 120.400 -0.021 0.000 2.172 1214 K HA 0.451 4.771 4.320 -0.001 0.000 0.276 1214 K C -0.785 175.801 176.600 -0.023 0.000 1.013 1214 K CA -0.238 56.032 56.287 -0.028 0.000 0.913 1214 K CB 0.774 33.247 32.500 -0.045 0.000 1.055 1214 K HN 0.396 nan 8.250 nan 0.000 0.461 1215 I N 3.932 124.490 120.570 -0.021 0.000 2.347 1215 I HA 0.239 4.409 4.170 -0.001 0.000 0.283 1215 I C -0.160 175.944 176.117 -0.022 0.000 1.058 1215 I CA -0.680 60.611 61.300 -0.015 0.000 1.202 1215 I CB 0.345 38.340 38.000 -0.009 0.000 1.386 1215 I HN 0.684 nan 8.210 nan 0.000 0.475 1216 E N 6.974 127.159 120.200 -0.026 0.000 2.214 1216 E HA 0.612 4.962 4.350 -0.001 0.000 0.274 1216 E C -0.785 175.804 176.600 -0.018 0.000 0.977 1216 E CA -0.595 55.785 56.400 -0.034 0.000 0.827 1216 E CB 1.407 31.071 29.700 -0.059 0.000 1.130 1216 E HN 0.563 nan 8.360 nan 0.000 0.394 1217 K N 1.624 122.012 120.400 -0.019 0.000 2.498 1217 K HA 0.688 5.008 4.320 -0.001 0.000 0.254 1217 K C -1.333 175.260 176.600 -0.012 0.000 0.933 1217 K CA -1.213 55.068 56.287 -0.010 0.000 0.806 1217 K CB 1.818 34.311 32.500 -0.011 0.000 1.301 1217 K HN 0.197 nan 8.250 nan 0.000 0.432 1218 K N 1.349 121.748 120.400 -0.001 0.000 2.588 1218 K HA 0.216 4.536 4.320 -0.001 0.000 0.250 1218 K C -1.283 175.319 176.600 0.003 0.000 0.972 1218 K CA -0.338 55.949 56.287 0.001 0.000 0.821 1218 K CB 2.179 34.688 32.500 0.015 0.000 1.249 1218 K HN 0.711 nan 8.250 nan 0.000 0.442 1219 S N 2.579 118.275 115.700 -0.007 0.000 2.568 1219 S HA 0.601 5.071 4.470 -0.001 0.000 0.282 1219 S C 0.136 174.739 174.600 0.004 0.000 1.338 1219 S CA 1.339 59.535 58.200 -0.006 0.000 1.045 1219 S CB -0.222 62.967 63.200 -0.018 0.000 0.873 1219 S HN 1.208 nan 8.310 nan 0.000 0.516 1220 G N 1.787 110.591 108.800 0.007 0.000 2.428 1220 G HA2 0.509 4.469 3.960 -0.001 0.000 0.681 1220 G HA3 0.509 4.469 3.960 -0.001 0.000 0.681 1220 G C -0.098 174.810 174.900 0.014 0.000 1.340 1220 G CA -0.039 45.068 45.100 0.011 0.000 0.915 1220 G HN 2.158 nan 8.290 nan 0.000 0.645 1221 A N -0.816 122.011 122.820 0.013 0.000 6.088 1221 A HA 0.395 4.714 4.320 -0.001 0.000 0.261 1221 A C 1.091 178.683 177.584 0.012 0.000 2.138 1221 A CA 1.913 53.958 52.037 0.012 0.000 0.708 1221 A CB -1.632 17.377 19.000 0.015 0.000 1.068 1221 A HN 2.716 nan 8.150 nan 0.000 0.364 1222 S N -2.556 113.151 115.700 0.012 0.000 2.745 1222 S HA 0.692 5.161 4.470 -0.001 0.000 0.306 1222 S C 1.124 175.733 174.600 0.014 0.000 1.137 1222 S CA 0.144 58.351 58.200 0.012 0.000 0.900 1222 S CB 1.369 64.575 63.200 0.010 0.000 1.176 1222 S HN 1.651 nan 8.310 nan 0.000 0.520 1223 I N 1.117 121.696 120.570 0.014 0.000 2.493 1223 I HA -0.087 4.083 4.170 -0.001 0.000 0.254 1223 I C 1.577 177.701 176.117 0.013 0.000 1.160 1223 I CA 1.600 62.909 61.300 0.015 0.000 1.445 1223 I CB -0.101 37.908 38.000 0.015 0.000 1.086 1223 I HN 0.795 nan 8.210 nan 0.000 0.433 1224 D N 0.755 121.161 120.400 0.011 0.000 2.264 1224 D HA -0.203 4.437 4.640 -0.001 0.000 0.208 1224 D C 1.595 177.900 176.300 0.009 0.000 0.966 1224 D CA 1.118 55.123 54.000 0.008 0.000 0.864 1224 D CB 0.023 40.826 40.800 0.006 0.000 0.933 1224 D HN 0.358 nan 8.370 nan 0.000 0.499 1225 D N -0.461 119.946 120.400 0.011 0.000 2.347 1225 D HA -0.032 4.608 4.640 -0.001 0.000 0.213 1225 D C 0.236 176.548 176.300 0.020 0.000 0.985 1225 D CA 0.386 54.394 54.000 0.013 0.000 0.879 1225 D CB -0.128 40.680 40.800 0.014 0.000 0.919 1225 D HN 0.149 nan 8.370 nan 0.000 0.526 1226 T N 1.564 116.130 114.554 0.021 0.000 2.933 1226 T HA 0.106 4.456 4.350 -0.001 0.000 0.306 1226 T C 0.291 175.007 174.700 0.027 0.000 1.045 1226 T CA 0.676 62.791 62.100 0.026 0.000 1.143 1226 T CB 1.037 69.918 68.868 0.021 0.000 1.003 1226 T HN 0.013 nan 8.240 nan 0.000 0.540 1227 E N 1.482 121.704 120.200 0.038 0.000 2.390 1227 E HA 0.531 4.880 4.350 -0.001 0.000 0.280 1227 E C -1.883 174.747 176.600 0.051 0.000 0.992 1227 E CA -0.813 55.610 56.400 0.038 0.000 0.790 1227 E CB 1.075 30.796 29.700 0.035 0.000 1.248 1227 E HN 0.356 nan 8.360 nan 0.000 0.447 1228 L N 3.337 124.585 121.223 0.042 0.000 2.312 1228 L HA 0.596 4.936 4.340 -0.001 0.000 0.281 1228 L C -1.079 175.827 176.870 0.061 0.000 1.070 1228 L CA -0.183 54.683 54.840 0.043 0.000 0.805 1228 L CB 0.793 42.869 42.059 0.028 0.000 1.174 1228 L HN 0.570 nan 8.230 nan 0.000 0.434 1229 I N 5.454 126.069 120.570 0.076 0.000 2.382 1229 I HA 0.301 4.471 4.170 -0.001 0.000 0.285 1229 I C -0.057 176.098 176.117 0.064 0.000 1.007 1229 I CA -0.461 60.900 61.300 0.102 0.000 1.142 1229 I CB 1.152 39.267 38.000 0.192 0.000 1.289 1229 I HN 0.326 nan 8.210 nan 0.000 0.453 1230 K N 5.779 126.210 120.400 0.051 0.000 2.081 1230 K HA 0.484 4.803 4.320 -0.001 0.000 0.230 1230 K C 0.457 177.078 176.600 0.035 0.000 1.199 1230 K CA -0.004 56.303 56.287 0.034 0.000 1.130 1230 K CB -0.287 32.227 32.500 0.024 0.000 1.386 1230 K HN 0.979 nan 8.250 nan 0.000 0.280 1231 G N -0.662 108.156 108.800 0.029 0.000 2.398 1231 G HA2 0.023 3.983 3.960 -0.001 0.000 0.251 1231 G HA3 0.023 3.983 3.960 -0.001 0.000 0.251 1231 G C -1.606 173.289 174.900 -0.008 0.000 1.277 1231 G CA -0.805 44.305 45.100 0.016 0.000 0.927 1231 G HN 0.085 nan 8.290 nan 0.000 0.477 1232 V N 0.753 120.646 119.914 -0.034 0.000 2.495 1232 V HA 0.705 4.825 4.120 -0.001 0.000 0.298 1232 V C -0.648 175.360 176.094 -0.142 0.000 1.031 1232 V CA -0.623 61.620 62.300 -0.094 0.000 0.871 1232 V CB 1.409 33.151 31.823 -0.136 0.000 0.988 1232 V HN 0.911 nan 8.190 nan 0.000 0.432 1233 L N 7.462 128.562 121.223 -0.204 0.000 2.305 1233 L HA 0.836 5.176 4.340 -0.001 0.000 0.284 1233 L C -0.383 176.315 176.870 -0.286 0.000 1.013 1233 L CA -0.152 54.464 54.840 -0.373 0.000 0.819 1233 L CB 1.692 43.434 42.059 -0.528 0.000 1.227 1233 L HN 0.577 nan 8.230 nan 0.000 0.417 1234 V N 1.574 121.326 119.914 -0.269 0.000 2.769 1234 V HA 0.635 4.755 4.120 -0.001 0.000 0.312 1234 V C -0.492 175.521 176.094 -0.136 0.000 1.061 1234 V CA -0.523 61.673 62.300 -0.174 0.000 0.931 1234 V CB 1.835 33.572 31.823 -0.143 0.000 1.010 1234 V HN 0.822 nan 8.190 nan 0.000 0.433 1235 D N 1.131 121.478 120.400 -0.088 0.000 3.134 1235 D HA 0.340 4.980 4.640 -0.001 0.000 0.248 1235 D C -0.103 176.191 176.300 -0.009 0.000 1.273 1235 D CA -0.263 53.705 54.000 -0.054 0.000 0.904 1235 D CB 0.341 41.114 40.800 -0.047 0.000 1.089 1235 D HN 0.521 nan 8.370 nan 0.000 0.478 1236 K N 0.277 120.687 120.400 0.016 0.000 2.313 1236 K HA 0.534 4.853 4.320 -0.001 0.000 0.235 1236 K C 0.183 176.817 176.600 0.057 0.000 1.035 1236 K CA -0.854 55.464 56.287 0.052 0.000 0.868 1236 K CB 1.728 34.292 32.500 0.106 0.000 1.232 1236 K HN 0.310 nan 8.250 nan 0.000 0.459 1237 E N -0.102 120.128 120.200 0.050 0.000 2.378 1237 E HA 0.481 4.830 4.350 -0.001 0.000 0.265 1237 E C -0.748 175.866 176.600 0.023 0.000 0.932 1237 E CA -1.141 55.282 56.400 0.039 0.000 0.795 1237 E CB 1.119 30.836 29.700 0.028 0.000 1.296 1237 E HN 0.100 nan 8.360 nan 0.000 0.438 1238 R N 1.407 121.913 120.500 0.011 0.000 2.296 1238 R HA 0.074 4.414 4.340 -0.001 0.000 0.323 1238 R C 1.248 177.542 176.300 -0.011 0.000 1.067 1238 R CA 0.160 56.252 56.100 -0.014 0.000 0.946 1238 R CB 0.958 31.248 30.300 -0.016 0.000 0.991 1238 R HN 0.650 nan 8.270 nan 0.000 0.448 1239 V N 0.012 119.915 119.914 -0.020 0.000 2.688 1239 V HA -0.101 4.018 4.120 -0.001 0.000 0.256 1239 V C 0.905 176.996 176.094 -0.006 0.000 1.084 1239 V CA 1.212 63.506 62.300 -0.010 0.000 1.103 1239 V CB -0.252 31.563 31.823 -0.013 0.000 0.688 1239 V HN 0.526 nan 8.190 nan 0.000 0.480 1240 S N -0.905 114.790 115.700 -0.009 0.000 2.521 1240 S HA 0.774 5.244 4.470 -0.001 0.000 0.295 1240 S C 0.827 175.427 174.600 -0.001 0.000 1.098 1240 S CA -0.139 58.061 58.200 -0.000 0.000 0.999 1240 S CB 1.821 65.023 63.200 0.004 0.000 1.034 1240 S HN 0.735 nan 8.310 nan 0.000 0.483 1241 A N 3.476 126.299 122.820 0.005 0.000 2.121 1241 A HA -0.027 4.293 4.320 -0.001 0.000 0.218 1241 A C 1.782 179.370 177.584 0.006 0.000 1.154 1241 A CA 1.115 53.155 52.037 0.006 0.000 0.679 1241 A CB -0.438 18.566 19.000 0.007 0.000 0.795 1241 A HN 0.904 nan 8.150 nan 0.000 0.458 1242 Q N -0.905 118.899 119.800 0.008 0.000 2.389 1242 Q HA 0.143 4.483 4.340 -0.001 0.000 0.204 1242 Q C 0.297 176.289 176.000 -0.013 0.000 0.944 1242 Q CA 0.075 55.880 55.803 0.003 0.000 0.908 1242 Q CB -0.060 28.686 28.738 0.014 0.000 1.002 1242 Q HN 0.665 nan 8.270 nan 0.000 0.493 1243 M N 1.678 121.268 119.600 -0.017 0.000 2.242 1243 M HA 0.178 4.658 4.480 -0.001 0.000 0.344 1243 M C -2.111 174.178 176.300 -0.018 0.000 1.140 1243 M CA -1.921 53.363 55.300 -0.026 0.000 1.160 1243 M CB 0.173 32.753 32.600 -0.034 0.000 1.491 1243 M HN -0.179 nan 8.290 nan 0.000 0.459 1244 P HA 0.006 nan 4.420 nan 0.000 0.266 1244 P C -0.455 176.840 177.300 -0.007 0.000 1.193 1244 P CA 0.278 63.370 63.100 -0.012 0.000 0.770 1244 P CB 0.459 32.151 31.700 -0.014 0.000 0.836 1245 K N 1.272 121.673 120.400 0.001 0.000 2.393 1245 K HA 0.053 4.372 4.320 -0.001 0.000 0.193 1245 K C 0.384 176.995 176.600 0.019 0.000 1.026 1245 K CA 0.474 56.768 56.287 0.011 0.000 1.064 1245 K CB 0.124 32.631 32.500 0.012 0.000 0.833 1245 K HN 0.496 nan 8.250 nan 0.000 0.521 1246 K N -0.385 120.023 120.400 0.012 0.000 2.571 1246 K HA 0.336 4.656 4.320 -0.001 0.000 0.252 1246 K C -1.330 175.277 176.600 0.011 0.000 0.956 1246 K CA -0.787 55.510 56.287 0.018 0.000 0.822 1246 K CB 2.020 34.528 32.500 0.012 0.000 1.286 1246 K HN -0.275 nan 8.250 nan 0.000 0.439 1247 V N 2.097 122.022 119.914 0.017 0.000 2.577 1247 V HA 0.462 4.582 4.120 -0.001 0.000 0.303 1247 V C -0.205 175.901 176.094 0.020 0.000 1.042 1247 V CA -0.538 61.769 62.300 0.012 0.000 0.872 1247 V CB 1.847 33.673 31.823 0.006 0.000 0.998 1247 V HN 1.006 nan 8.190 nan 0.000 0.423 1248 T N -0.165 114.396 114.554 0.013 0.000 2.945 1248 T HA 0.566 4.915 4.350 -0.001 0.000 0.286 1248 T C 0.104 174.811 174.700 0.011 0.000 1.025 1248 T CA -0.257 61.851 62.100 0.013 0.000 1.039 1248 T CB 1.369 70.241 68.868 0.006 0.000 1.068 1248 T HN 0.774 nan 8.240 nan 0.000 0.497 1249 D N 0.059 120.466 120.400 0.011 0.000 2.689 1249 D HA -0.149 4.491 4.640 -0.001 0.000 0.237 1249 D C 0.269 176.579 176.300 0.016 0.000 1.148 1249 D CA 0.845 54.851 54.000 0.010 0.000 0.656 1249 D CB -1.257 39.547 40.800 0.006 0.000 1.050 1249 D HN 1.086 nan 8.370 nan 0.000 0.426 1250 A N 1.309 124.144 122.820 0.024 0.000 2.425 1250 A HA 0.410 4.729 4.320 -0.001 0.000 0.249 1250 A C 0.533 178.138 177.584 0.035 0.000 1.084 1250 A CA 0.059 52.114 52.037 0.031 0.000 0.781 1250 A CB 0.635 19.665 19.000 0.050 0.000 1.019 1250 A HN 0.150 nan 8.150 nan 0.000 0.490 1251 K N 2.720 123.138 120.400 0.030 0.000 2.354 1251 K HA 0.360 4.679 4.320 -0.001 0.000 0.257 1251 K C -1.223 175.403 176.600 0.043 0.000 1.062 1251 K CA -0.194 56.112 56.287 0.032 0.000 0.971 1251 K CB 0.829 33.340 32.500 0.020 0.000 1.305 1251 K HN 0.541 nan 8.250 nan 0.000 0.449 1252 I N 2.195 122.807 120.570 0.070 0.000 2.352 1252 I HA 0.183 4.353 4.170 -0.001 0.000 0.290 1252 I C 0.407 176.584 176.117 0.099 0.000 1.036 1252 I CA -0.130 61.239 61.300 0.115 0.000 1.336 1252 I CB 1.315 39.420 38.000 0.175 0.000 1.407 1252 I HN 0.453 nan 8.210 nan 0.000 0.497 1253 A N 7.636 130.513 122.820 0.095 0.000 2.330 1253 A HA 0.856 5.176 4.320 -0.001 0.000 0.327 1253 A C -0.764 176.895 177.584 0.124 0.000 1.155 1253 A CA -0.583 51.502 52.037 0.080 0.000 0.803 1253 A CB 0.693 19.718 19.000 0.042 0.000 1.208 1253 A HN 0.652 nan 8.150 nan 0.000 0.477 1254 L N 3.338 124.624 121.223 0.106 0.000 2.298 1254 L HA 0.488 4.828 4.340 -0.001 0.000 0.284 1254 L C -0.823 176.092 176.870 0.074 0.000 1.013 1254 L CA -0.189 54.719 54.840 0.114 0.000 0.824 1254 L CB 1.171 43.281 42.059 0.085 0.000 1.221 1254 L HN 0.576 nan 8.230 nan 0.000 0.418 1255 L N 3.098 124.368 121.223 0.078 0.000 2.334 1255 L HA 0.451 4.790 4.340 -0.001 0.000 0.276 1255 L C 0.732 177.633 176.870 0.052 0.000 1.014 1255 L CA -0.379 54.493 54.840 0.053 0.000 0.815 1255 L CB 2.119 44.205 42.059 0.045 0.000 1.268 1255 L HN 0.587 nan 8.230 nan 0.000 0.428 1256 N N 0.481 119.204 118.700 0.037 0.000 2.348 1256 N HA 0.017 4.757 4.740 -0.001 0.000 0.183 1256 N C 0.351 175.877 175.510 0.028 0.000 1.094 1256 N CA -0.050 53.019 53.050 0.032 0.000 0.885 1256 N CB 0.570 39.071 38.487 0.023 0.000 1.065 1256 N HN 0.753 nan 8.380 nan 0.000 0.472 1257 C N 0.800 120.115 119.300 0.026 0.000 2.470 1257 C HA 0.854 5.314 4.460 -0.001 0.000 0.350 1257 C C 1.038 176.044 174.990 0.026 0.000 1.341 1257 C CA -1.258 57.774 59.018 0.023 0.000 2.440 1257 C CB -0.005 27.748 27.740 0.021 0.000 2.295 1257 C HN 0.324 nan 8.230 nan 0.000 0.645 1258 A N 0.763 123.598 122.820 0.024 0.000 2.340 1258 A HA 0.631 4.950 4.320 -0.001 0.000 0.268 1258 A C -0.008 177.593 177.584 0.028 0.000 1.100 1258 A CA -0.641 51.411 52.037 0.026 0.000 0.803 1258 A CB -0.083 18.931 19.000 0.023 0.000 1.043 1258 A HN 0.859 nan 8.150 nan 0.000 0.488 1259 I N 2.244 122.832 120.570 0.030 0.000 2.243 1259 I HA 0.204 4.374 4.170 -0.001 0.000 0.289 1259 I C 0.117 176.259 176.117 0.043 0.000 1.140 1259 I CA 0.471 61.793 61.300 0.036 0.000 1.289 1259 I CB -0.556 37.467 38.000 0.038 0.000 1.498 1259 I HN 0.716 nan 8.210 nan 0.000 0.561 1260 E N 3.524 123.748 120.200 0.039 0.000 2.450 1260 E HA 0.493 4.842 4.350 -0.001 0.000 0.272 1260 E C -0.792 175.832 176.600 0.040 0.000 0.967 1260 E CA -1.120 55.304 56.400 0.040 0.000 0.818 1260 E CB 2.332 32.050 29.700 0.031 0.000 1.401 1260 E HN 0.123 nan 8.360 nan 0.000 0.450 1261 I N 2.310 122.905 120.570 0.041 0.000 2.406 1261 I HA 0.079 4.249 4.170 -0.001 0.000 0.293 1261 I C 0.507 176.643 176.117 0.031 0.000 1.101 1261 I CA 0.175 61.499 61.300 0.041 0.000 1.334 1261 I CB -0.520 37.507 38.000 0.046 0.000 1.421 1261 I HN 0.398 nan 8.210 nan 0.000 0.513 1262 K N 4.901 125.319 120.400 0.029 0.000 2.319 1262 K HA 0.083 4.403 4.320 -0.001 0.000 0.265 1262 K C -0.065 176.549 176.600 0.022 0.000 1.000 1262 K CA -0.198 56.102 56.287 0.023 0.000 0.943 1262 K CB 0.845 33.358 32.500 0.021 0.000 0.950 1262 K HN 0.460 nan 8.250 nan 0.000 0.485 1263 E N 1.420 121.629 120.200 0.016 0.000 2.207 1263 E HA 0.171 4.521 4.350 -0.001 0.000 0.270 1263 E C -1.056 175.551 176.600 0.013 0.000 0.927 1263 E CA -0.591 55.817 56.400 0.013 0.000 0.799 1263 E CB 1.359 31.063 29.700 0.007 0.000 1.172 1263 E HN 0.637 nan 8.360 nan 0.000 0.404 1264 T N 1.100 115.662 114.554 0.013 0.000 2.813 1264 T HA 0.178 4.527 4.350 -0.001 0.000 0.297 1264 T C 0.746 175.451 174.700 0.008 0.000 1.036 1264 T CA -0.378 61.729 62.100 0.012 0.000 1.044 1264 T CB 0.761 69.637 68.868 0.013 0.000 0.993 1264 T HN 0.417 nan 8.240 nan 0.000 0.535 1265 E N 0.335 120.540 120.200 0.008 0.000 2.047 1265 E HA 0.044 4.394 4.350 -0.001 0.000 0.191 1265 E C 1.238 177.841 176.600 0.005 0.000 0.987 1265 E CA 1.033 57.437 56.400 0.006 0.000 0.799 1265 E CB -0.586 29.118 29.700 0.006 0.000 0.752 1265 E HN 0.780 nan 8.360 nan 0.000 0.449 1266 T N 1.314 115.871 114.554 0.006 0.000 2.930 1266 T HA -0.006 4.344 4.350 -0.001 0.000 0.306 1266 T C -0.424 174.278 174.700 0.004 0.000 1.045 1266 T CA -0.691 61.411 62.100 0.005 0.000 1.134 1266 T CB 0.208 69.080 68.868 0.006 0.000 0.961 1266 T HN -0.121 nan 8.240 nan 0.000 0.545 1267 D N 2.827 123.228 120.400 0.001 0.000 2.425 1267 D HA 0.493 5.133 4.640 -0.001 0.000 0.247 1267 D C -0.244 176.055 176.300 -0.002 0.000 1.147 1267 D CA 0.458 54.457 54.000 -0.001 0.000 0.879 1267 D CB 0.870 41.668 40.800 -0.003 0.000 1.179 1267 D HN 0.758 nan 8.370 nan 0.000 0.456 1268 A N 2.639 125.455 122.820 -0.006 0.000 2.547 1268 A HA 0.584 4.904 4.320 -0.001 0.000 0.297 1268 A C -0.849 176.722 177.584 -0.022 0.000 1.056 1268 A CA -0.774 51.258 52.037 -0.008 0.000 0.688 1268 A CB 1.603 20.604 19.000 0.002 0.000 1.282 1268 A HN 0.463 nan 8.150 nan 0.000 0.400 1269 E N 0.928 121.108 120.200 -0.032 0.000 2.314 1269 E HA 0.503 4.853 4.350 -0.001 0.000 0.272 1269 E C -1.427 175.120 176.600 -0.089 0.000 0.884 1269 E CA -0.850 55.513 56.400 -0.061 0.000 0.753 1269 E CB 2.311 31.980 29.700 -0.051 0.000 1.213 1269 E HN 0.498 nan 8.360 nan 0.000 0.432 1270 I N 2.197 122.665 120.570 -0.169 0.000 2.428 1270 I HA 0.153 4.322 4.170 -0.001 0.000 0.289 1270 I C 0.042 176.038 176.117 -0.202 0.000 1.019 1270 I CA -0.184 60.945 61.300 -0.285 0.000 1.351 1270 I CB 0.419 38.010 38.000 -0.682 0.000 1.412 1270 I HN 0.188 nan 8.210 nan 0.000 0.513 1271 R N 6.725 127.147 120.500 -0.130 0.000 2.310 1271 R HA 0.431 4.770 4.340 -0.001 0.000 0.316 1271 R C -0.993 175.295 176.300 -0.021 0.000 1.004 1271 R CA -0.765 55.298 56.100 -0.061 0.000 0.900 1271 R CB 0.856 31.144 30.300 -0.020 0.000 1.152 1271 R HN 0.409 nan 8.270 nan 0.000 0.513 1272 I N 3.045 123.594 120.570 -0.036 0.000 2.416 1272 I HA 0.058 4.228 4.170 -0.001 0.000 0.288 1272 I C 1.643 177.781 176.117 0.035 0.000 1.051 1272 I CA 0.322 61.637 61.300 0.026 0.000 1.375 1272 I CB 1.102 39.106 38.000 0.008 0.000 1.407 1272 I HN 0.519 nan 8.210 nan 0.000 0.516 1273 T N 0.021 114.610 114.554 0.059 0.000 3.040 1273 T HA 0.221 4.570 4.350 -0.001 0.000 0.266 1273 T C 0.261 174.985 174.700 0.040 0.000 1.005 1273 T CA -0.227 61.898 62.100 0.042 0.000 0.906 1273 T CB 0.565 69.458 68.868 0.042 0.000 1.082 1273 T HN 0.576 nan 8.240 nan 0.000 0.531 1274 D N 0.843 121.274 120.400 0.051 0.000 2.886 1274 D HA 0.258 4.897 4.640 -0.001 0.000 0.216 1274 D C -2.301 174.029 176.300 0.050 0.000 1.256 1274 D CA -1.691 52.335 54.000 0.043 0.000 0.844 1274 D CB 2.912 43.736 40.800 0.039 0.000 1.669 1274 D HN -0.241 nan 8.370 nan 0.000 0.513 1275 P HA -0.097 nan 4.420 nan 0.000 0.219 1275 P C 1.042 178.367 177.300 0.041 0.000 1.146 1275 P CA 0.834 63.955 63.100 0.036 0.000 0.808 1275 P CB 0.300 32.015 31.700 0.024 0.000 0.779 1276 A N 0.526 123.368 122.820 0.035 0.000 1.930 1276 A HA -0.157 4.163 4.320 -0.001 0.000 0.217 1276 A C 2.394 180.002 177.584 0.040 0.000 1.175 1276 A CA 1.710 53.765 52.037 0.030 0.000 0.627 1276 A CB -1.070 17.940 19.000 0.017 0.000 0.815 1276 A HN 0.159 nan 8.150 nan 0.000 0.443 1277 K N -0.683 119.754 120.400 0.062 0.000 2.103 1277 K HA -0.073 4.247 4.320 -0.001 0.000 0.204 1277 K C 1.843 178.580 176.600 0.229 0.000 1.052 1277 K CA 1.122 57.473 56.287 0.107 0.000 0.945 1277 K CB -0.258 32.323 32.500 0.135 0.000 0.722 1277 K HN 0.305 nan 8.250 nan 0.000 0.443 1278 L N 1.091 122.421 121.223 0.178 0.000 2.043 1278 L HA -0.205 4.134 4.340 -0.001 0.000 0.212 1278 L C 2.028 179.002 176.870 0.173 0.000 1.075 1278 L CA 1.761 56.706 54.840 0.175 0.000 0.752 1278 L CB -0.304 41.806 42.059 0.085 0.000 0.891 1278 L HN 0.282 nan 8.230 nan 0.000 0.432 1279 M N -1.158 118.507 119.600 0.109 0.000 2.254 1279 M HA -0.118 4.361 4.480 -0.001 0.000 0.265 1279 M C 2.129 178.462 176.300 0.056 0.000 1.066 1279 M CA 1.199 56.544 55.300 0.074 0.000 1.123 1279 M CB -1.034 31.592 32.600 0.043 0.000 1.388 1279 M HN 0.352 nan 8.290 nan 0.000 0.425 1280 E N -0.146 120.070 120.200 0.027 0.000 2.097 1280 E HA -0.199 4.151 4.350 -0.001 0.000 0.196 1280 E C 1.865 178.380 176.600 -0.143 0.000 1.000 1280 E CA 1.399 57.745 56.400 -0.090 0.000 0.804 1280 E CB -0.204 29.387 29.700 -0.182 0.000 0.740 1280 E HN 0.400 nan 8.360 nan 0.000 0.454 1281 F N 0.423 120.379 119.950 0.010 0.000 2.163 1281 F HA -0.068 4.459 4.527 -0.000 0.000 0.297 1281 F C 2.218 178.028 175.800 0.017 0.000 1.094 1281 F CA 0.646 58.653 58.000 0.012 0.000 1.290 1281 F CB -0.178 38.828 39.000 0.010 0.000 1.017 1281 F HN -0.047 nan 8.300 nan 0.000 0.483 1282 I N 0.192 120.885 120.570 0.205 0.000 2.194 1282 I HA -0.322 3.848 4.170 -0.001 0.000 0.246 1282 I C 2.056 178.229 176.117 0.094 0.000 1.093 1282 I CA 1.673 63.048 61.300 0.124 0.000 1.355 1282 I CB -0.459 37.594 38.000 0.089 0.000 1.046 1282 I HN 0.221 nan 8.210 nan 0.000 0.413 1283 E N -0.161 120.080 120.200 0.068 0.000 2.274 1283 E HA -0.242 4.108 4.350 -0.001 0.000 0.194 1283 E C 2.025 178.648 176.600 0.038 0.000 0.996 1283 E CA 0.546 56.975 56.400 0.049 0.000 0.840 1283 E CB 0.020 29.733 29.700 0.022 0.000 0.772 1283 E HN 0.370 nan 8.360 nan 0.000 0.491 1284 Q N 1.150 120.968 119.800 0.030 0.000 2.137 1284 Q HA -0.147 4.193 4.340 -0.001 0.000 0.198 1284 Q C 1.432 177.464 176.000 0.054 0.000 0.960 1284 Q CA 1.329 57.142 55.803 0.017 0.000 0.847 1284 Q CB 0.204 28.933 28.738 -0.015 0.000 0.915 1284 Q HN 0.084 nan 8.270 nan 0.000 0.448 1285 E N 0.171 120.425 120.200 0.091 0.000 2.150 1285 E HA -0.134 4.215 4.350 -0.001 0.000 0.193 1285 E C 1.669 178.337 176.600 0.114 0.000 0.985 1285 E CA 1.141 57.599 56.400 0.097 0.000 0.814 1285 E CB 0.067 29.829 29.700 0.103 0.000 0.752 1285 E HN 0.472 nan 8.360 nan 0.000 0.466 1286 E N 0.426 120.703 120.200 0.128 0.000 2.051 1286 E HA -0.207 4.142 4.350 -0.001 0.000 0.192 1286 E C 1.962 178.621 176.600 0.098 0.000 0.991 1286 E CA 1.045 57.571 56.400 0.210 0.000 0.799 1286 E CB -0.058 29.761 29.700 0.198 0.000 0.748 1286 E HN 0.078 nan 8.360 nan 0.000 0.449 1287 K N 0.835 121.245 120.400 0.017 0.000 2.057 1287 K HA -0.170 4.150 4.320 -0.001 0.000 0.207 1287 K C 2.234 178.789 176.600 -0.075 0.000 1.049 1287 K CA 1.193 57.441 56.287 -0.065 0.000 0.931 1287 K CB -0.062 32.414 32.500 -0.039 0.000 0.714 1287 K HN 0.078 nan 8.250 nan 0.000 0.440 1288 M N 0.767 120.359 119.600 -0.012 0.000 2.067 1288 M HA -0.187 4.292 4.480 -0.001 0.000 0.260 1288 M C 1.877 178.173 176.300 -0.007 0.000 1.069 1288 M CA 1.621 56.921 55.300 -0.001 0.000 1.117 1288 M CB -0.070 32.550 32.600 0.034 0.000 1.334 1288 M HN 0.182 nan 8.290 nan 0.000 0.407 1289 L N -0.010 121.237 121.223 0.041 0.000 2.083 1289 L HA -0.218 4.122 4.340 -0.001 0.000 0.209 1289 L C 2.690 179.547 176.870 -0.022 0.000 1.083 1289 L CA 1.055 55.950 54.840 0.093 0.000 0.752 1289 L CB -0.920 41.289 42.059 0.251 0.000 0.899 1289 L HN 0.379 nan 8.230 nan 0.000 0.433 1290 K N 0.402 120.590 120.400 -0.354 0.000 2.097 1290 K HA -0.208 4.111 4.320 -0.001 0.000 0.206 1290 K C 1.402 177.827 176.600 -0.290 0.000 1.049 1290 K CA 1.734 57.599 56.287 -0.703 0.000 0.933 1290 K CB -0.092 31.849 32.500 -0.932 0.000 0.717 1290 K HN 0.277 nan 8.250 nan 0.000 0.442 1291 D N 0.291 120.588 120.400 -0.173 0.000 2.183 1291 D HA -0.094 4.546 4.640 -0.001 0.000 0.203 1291 D C 1.960 178.224 176.300 -0.060 0.000 0.969 1291 D CA 0.687 54.628 54.000 -0.098 0.000 0.842 1291 D CB 0.050 40.810 40.800 -0.067 0.000 0.957 1291 D HN 0.175 nan 8.370 nan 0.000 0.484 1292 M N 0.212 119.787 119.600 -0.042 0.000 2.132 1292 M HA -0.080 4.400 4.480 -0.001 0.000 0.263 1292 M C 2.252 178.546 176.300 -0.010 0.000 1.065 1292 M CA 0.710 56.003 55.300 -0.011 0.000 1.122 1292 M CB -0.737 31.871 32.600 0.013 0.000 1.365 1292 M HN -0.083 nan 8.290 nan 0.000 0.411 1293 V N 0.299 120.202 119.914 -0.017 0.000 2.453 1293 V HA -0.137 3.982 4.120 -0.001 0.000 0.247 1293 V C 2.669 178.744 176.094 -0.031 0.000 1.048 1293 V CA 1.546 63.841 62.300 -0.009 0.000 1.049 1293 V CB -1.234 30.601 31.823 0.020 0.000 0.672 1293 V HN 0.459 nan 8.190 nan 0.000 0.457 1294 A N -0.015 122.769 122.820 -0.058 0.000 1.972 1294 A HA -0.232 4.087 4.320 -0.001 0.000 0.219 1294 A C 2.168 179.732 177.584 -0.034 0.000 1.169 1294 A CA 1.974 53.979 52.037 -0.054 0.000 0.635 1294 A CB -0.394 18.562 19.000 -0.075 0.000 0.810 1294 A HN 0.550 nan 8.150 nan 0.000 0.446 1295 E N 0.292 120.475 120.200 -0.028 0.000 2.072 1295 E HA -0.088 4.262 4.350 -0.001 0.000 0.190 1295 E C 1.683 178.277 176.600 -0.010 0.000 0.982 1295 E CA 1.193 57.583 56.400 -0.016 0.000 0.803 1295 E CB -0.358 29.335 29.700 -0.012 0.000 0.755 1295 E HN 0.634 nan 8.360 nan 0.000 0.453 1296 I N 0.296 120.861 120.570 -0.008 0.000 2.179 1296 I HA -0.253 3.917 4.170 -0.001 0.000 0.242 1296 I C 2.299 178.411 176.117 -0.007 0.000 1.088 1296 I CA 1.268 62.565 61.300 -0.004 0.000 1.357 1296 I CB -0.250 37.748 38.000 -0.004 0.000 1.051 1296 I HN 0.068 nan 8.210 nan 0.000 0.409 1297 K N 1.578 121.971 120.400 -0.013 0.000 2.097 1297 K HA -0.107 4.212 4.320 -0.001 0.000 0.206 1297 K C 2.035 178.628 176.600 -0.012 0.000 1.049 1297 K CA 1.627 57.905 56.287 -0.014 0.000 0.933 1297 K CB -0.355 32.133 32.500 -0.020 0.000 0.717 1297 K HN 0.276 nan 8.250 nan 0.000 0.442 1298 A N -0.167 122.645 122.820 -0.013 0.000 1.933 1298 A HA -0.119 4.201 4.320 -0.001 0.000 0.218 1298 A C 2.183 179.764 177.584 -0.005 0.000 1.175 1298 A CA 2.062 54.093 52.037 -0.010 0.000 0.628 1298 A CB -0.718 18.274 19.000 -0.012 0.000 0.814 1298 A HN 0.354 nan 8.150 nan 0.000 0.444 1299 S N -1.793 113.905 115.700 -0.003 0.000 2.423 1299 S HA 0.233 4.703 4.470 -0.001 0.000 0.231 1299 S C 1.533 176.135 174.600 0.004 0.000 1.014 1299 S CA 1.257 59.458 58.200 0.002 0.000 0.965 1299 S CB -0.122 63.082 63.200 0.006 0.000 0.785 1299 S HN 1.683 nan 8.310 nan 0.000 0.495 1300 G N 0.580 109.381 108.800 0.001 0.000 2.168 1300 G HA2 -0.071 3.888 3.960 -0.001 0.000 0.197 1300 G HA3 -0.071 3.888 3.960 -0.001 0.000 0.197 1300 G C 0.085 174.987 174.900 0.003 0.000 0.997 1300 G CA -0.179 44.922 45.100 0.002 0.000 0.658 1300 G HN 0.804 nan 8.290 nan 0.000 0.513 1301 A N 0.259 123.081 122.820 0.003 0.000 2.407 1301 A HA 0.639 4.958 4.320 -0.001 0.000 0.248 1301 A C 0.938 178.517 177.584 -0.007 0.000 1.082 1301 A CA 0.941 52.980 52.037 0.003 0.000 0.785 1301 A CB 0.251 19.254 19.000 0.005 0.000 1.020 1301 A HN 1.296 nan 8.150 nan 0.000 0.489 1302 N N -0.636 118.057 118.700 -0.011 0.000 2.036 1302 N HA 0.202 4.941 4.740 -0.001 0.000 0.228 1302 N C -0.958 174.525 175.510 -0.045 0.000 1.368 1302 N CA 0.053 53.089 53.050 -0.024 0.000 0.846 1302 N CB 0.483 38.961 38.487 -0.015 0.000 1.145 1302 N HN 0.268 nan 8.380 nan 0.000 0.502 1303 V N 1.519 121.403 119.914 -0.050 0.000 2.656 1303 V HA 0.561 4.681 4.120 -0.001 0.000 0.307 1303 V C -1.145 174.860 176.094 -0.148 0.000 1.051 1303 V CA -0.770 61.456 62.300 -0.122 0.000 0.893 1303 V CB 2.402 34.197 31.823 -0.047 0.000 0.999 1303 V HN 0.230 nan 8.190 nan 0.000 0.426 1304 L N 5.458 126.494 121.223 -0.312 0.000 2.441 1304 L HA 0.614 4.954 4.340 -0.001 0.000 0.270 1304 L C -1.927 174.707 176.870 -0.394 0.000 0.973 1304 L CA -0.104 54.604 54.840 -0.220 0.000 0.842 1304 L CB 1.600 43.590 42.059 -0.115 0.000 1.239 1304 L HN 0.598 nan 8.230 nan 0.000 0.406 1305 F N 4.391 124.345 119.950 0.006 0.000 2.402 1305 F HA 0.361 4.887 4.527 -0.001 0.000 0.355 1305 F C 0.398 176.201 175.800 0.005 0.000 1.123 1305 F CA -0.478 57.524 58.000 0.004 0.000 1.021 1305 F CB 1.491 40.490 39.000 -0.001 0.000 1.160 1305 F HN 0.437 nan 8.300 nan 0.000 0.451 1306 C N 5.192 124.579 119.300 0.145 0.000 2.281 1306 C HA 0.221 4.680 4.460 -0.001 0.000 0.325 1306 C C 1.625 176.668 174.990 0.088 0.000 1.282 1306 C CA -0.473 58.599 59.018 0.091 0.000 1.640 1306 C CB 0.648 28.418 27.740 0.050 0.000 2.288 1306 C HN 0.960 nan 8.230 nan 0.000 0.507 1307 Q N 3.530 123.372 119.800 0.070 0.000 2.170 1307 Q HA -0.063 4.277 4.340 -0.001 0.000 0.203 1307 Q C 0.751 176.774 176.000 0.038 0.000 0.976 1307 Q CA 1.631 57.463 55.803 0.049 0.000 0.858 1307 Q CB 0.188 28.946 28.738 0.034 0.000 0.907 1307 Q HN 0.761 nan 8.270 nan 0.000 0.433 1308 K N -1.159 119.262 120.400 0.036 0.000 2.632 1308 K HA 0.446 4.765 4.320 -0.001 0.000 0.267 1308 K C 0.319 176.937 176.600 0.030 0.000 1.028 1308 K CA -0.202 56.102 56.287 0.028 0.000 1.045 1308 K CB 0.189 32.704 32.500 0.024 0.000 1.400 1308 K HN 0.112 nan 8.250 nan 0.000 0.522 1309 G N 0.261 109.076 108.800 0.024 0.000 2.599 1309 G HA2 0.435 4.395 3.960 -0.001 0.000 0.264 1309 G HA3 0.435 4.395 3.960 -0.001 0.000 0.264 1309 G C -0.528 174.386 174.900 0.023 0.000 1.200 1309 G CA -0.527 44.586 45.100 0.022 0.000 0.896 1309 G HN 0.367 nan 8.290 nan 0.000 0.536 1310 I N 0.245 120.827 120.570 0.021 0.000 2.499 1310 I HA 0.169 4.339 4.170 -0.001 0.000 0.288 1310 I C -0.493 175.638 176.117 0.022 0.000 1.048 1310 I CA -0.788 60.525 61.300 0.023 0.000 1.062 1310 I CB 2.157 40.167 38.000 0.017 0.000 1.238 1310 I HN 0.429 nan 8.210 nan 0.000 0.426 1311 D N 5.314 125.732 120.400 0.031 0.000 2.443 1311 D HA -0.074 4.566 4.640 -0.001 0.000 0.239 1311 D C 0.755 177.066 176.300 0.018 0.000 1.136 1311 D CA 0.061 54.078 54.000 0.028 0.000 0.879 1311 D CB 1.331 42.157 40.800 0.043 0.000 1.195 1311 D HN 0.638 nan 8.370 nan 0.000 0.443 1312 D N 3.565 123.967 120.400 0.002 0.000 2.158 1312 D HA -0.257 4.383 4.640 -0.001 0.000 0.197 1312 D C 1.955 178.234 176.300 -0.036 0.000 0.995 1312 D CA 0.775 54.766 54.000 -0.015 0.000 0.846 1312 D CB -0.371 40.414 40.800 -0.024 0.000 0.941 1312 D HN 0.362 nan 8.370 nan 0.000 0.456 1313 L N 0.561 121.756 121.223 -0.048 0.000 2.072 1313 L HA 0.148 4.487 4.340 -0.001 0.000 0.205 1313 L C 2.377 179.161 176.870 -0.145 0.000 1.079 1313 L CA 1.860 56.619 54.840 -0.135 0.000 0.752 1313 L CB -0.990 41.018 42.059 -0.084 0.000 0.906 1313 L HN 0.103 nan 8.230 nan 0.000 0.436 1314 A N -1.132 121.716 122.820 0.048 0.000 1.972 1314 A HA -0.243 4.077 4.320 -0.001 0.000 0.219 1314 A C 2.165 179.805 177.584 0.093 0.000 1.169 1314 A CA 1.727 53.863 52.037 0.166 0.000 0.635 1314 A CB -0.519 18.562 19.000 0.136 0.000 0.810 1314 A HN 0.666 nan 8.150 nan 0.000 0.446 1315 Q N -1.652 118.168 119.800 0.034 0.000 2.119 1315 Q HA -0.216 4.124 4.340 -0.001 0.000 0.201 1315 Q C 2.045 178.055 176.000 0.016 0.000 0.972 1315 Q CA 1.680 57.494 55.803 0.020 0.000 0.847 1315 Q CB -0.317 28.427 28.738 0.011 0.000 0.903 1315 Q HN 0.933 nan 8.270 nan 0.000 0.433 1316 H N -0.389 118.612 119.070 -0.115 0.000 2.353 1316 H HA -0.172 4.383 4.556 -0.001 0.000 0.300 1316 H C 1.357 176.633 175.328 -0.087 0.000 1.090 1316 H CA 1.718 57.675 56.048 -0.151 0.000 1.327 1316 H CB -0.079 29.518 29.762 -0.275 0.000 1.383 1316 H HN 0.224 nan 8.280 nan 0.000 0.508 1317 Y N 0.179 120.455 120.300 -0.039 0.000 2.224 1317 Y HA -0.133 4.416 4.550 -0.001 0.000 0.289 1317 Y C 2.567 178.405 175.900 -0.104 0.000 1.146 1317 Y CA 1.041 59.087 58.100 -0.089 0.000 1.182 1317 Y CB -0.646 37.812 38.460 -0.004 0.000 0.983 1317 Y HN 0.218 nan 8.280 nan 0.000 0.524 1318 L N -1.034 120.236 121.223 0.079 0.000 2.046 1318 L HA -0.226 4.114 4.340 -0.001 0.000 0.208 1318 L C 2.641 179.491 176.870 -0.035 0.000 1.077 1318 L CA 1.239 56.087 54.840 0.014 0.000 0.747 1318 L CB -0.832 41.228 42.059 0.003 0.000 0.896 1318 L HN 0.183 nan 8.230 nan 0.000 0.432 1319 A N -0.121 122.657 122.820 -0.069 0.000 1.930 1319 A HA -0.246 4.074 4.320 -0.001 0.000 0.217 1319 A C 2.368 179.881 177.584 -0.119 0.000 1.175 1319 A CA 1.825 53.807 52.037 -0.092 0.000 0.627 1319 A CB -0.426 18.517 19.000 -0.096 0.000 0.815 1319 A HN 0.328 nan 8.150 nan 0.000 0.443 1320 K N -0.426 119.866 120.400 -0.180 0.000 2.147 1320 K HA -0.142 4.177 4.320 -0.001 0.000 0.205 1320 K C 1.033 177.598 176.600 -0.059 0.000 1.049 1320 K CA 1.485 57.686 56.287 -0.143 0.000 0.936 1320 K CB 0.004 32.420 32.500 -0.140 0.000 0.722 1320 K HN 0.335 nan 8.250 nan 0.000 0.446 1321 E N -0.718 119.458 120.200 -0.039 0.000 2.479 1321 E HA 0.058 4.408 4.350 -0.001 0.000 0.193 1321 E C 0.688 177.271 176.600 -0.028 0.000 1.049 1321 E CA 0.666 57.050 56.400 -0.026 0.000 0.870 1321 E CB 0.826 30.516 29.700 -0.018 0.000 0.944 1321 E HN 0.538 nan 8.360 nan 0.000 0.492 1322 G N 1.925 110.704 108.800 -0.036 0.000 2.160 1322 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.244 1322 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.244 1322 G C 0.228 175.107 174.900 -0.034 0.000 1.022 1322 G CA 0.100 45.180 45.100 -0.032 0.000 0.741 1322 G HN 0.271 nan 8.290 nan 0.000 0.508 1323 I N 1.133 121.680 120.570 -0.040 0.000 2.325 1323 I HA 0.403 4.573 4.170 -0.001 0.000 0.291 1323 I C 1.073 177.150 176.117 -0.066 0.000 1.019 1323 I CA -1.055 60.215 61.300 -0.049 0.000 1.302 1323 I CB 1.493 39.467 38.000 -0.043 0.000 1.401 1323 I HN 0.153 nan 8.210 nan 0.000 0.485 1324 V N 3.907 123.770 119.914 -0.085 0.000 2.546 1324 V HA 0.905 5.025 4.120 -0.001 0.000 0.284 1324 V C 0.094 176.070 176.094 -0.195 0.000 1.050 1324 V CA -0.253 61.979 62.300 -0.113 0.000 0.981 1324 V CB 1.101 32.865 31.823 -0.098 0.000 0.990 1324 V HN 0.834 nan 8.190 nan 0.000 0.474 1325 A N 3.531 126.237 122.820 -0.191 0.000 2.549 1325 A HA 1.015 5.335 4.320 -0.001 0.000 0.297 1325 A C -0.400 177.066 177.584 -0.196 0.000 1.061 1325 A CA -0.288 51.606 52.037 -0.238 0.000 0.690 1325 A CB 1.818 20.738 19.000 -0.133 0.000 1.287 1325 A HN 2.381 nan 8.150 nan 0.000 0.402 1326 A N 1.388 124.076 122.820 -0.220 0.000 2.449 1326 A HA 0.847 5.167 4.320 -0.001 0.000 0.302 1326 A C -0.302 177.295 177.584 0.022 0.000 1.048 1326 A CA -0.607 51.399 52.037 -0.053 0.000 0.708 1326 A CB 1.157 20.183 19.000 0.045 0.000 1.274 1326 A HN 1.404 nan 8.150 nan 0.000 0.410 1327 R N 1.387 121.909 120.500 0.037 0.000 2.832 1327 R HA 0.795 5.134 4.340 -0.001 0.000 0.271 1327 R C -0.471 175.861 176.300 0.052 0.000 0.996 1327 R CA -0.768 55.359 56.100 0.044 0.000 0.977 1327 R CB 0.801 31.116 30.300 0.025 0.000 1.168 1327 R HN 0.577 nan 8.270 nan 0.000 0.482 1328 R N -0.134 120.395 120.500 0.048 0.000 3.532 1328 R HA -0.097 4.243 4.340 -0.001 0.000 0.284 1328 R C -0.773 175.553 176.300 0.043 0.000 1.140 1328 R CA 0.602 56.725 56.100 0.038 0.000 0.768 1328 R CB -2.349 27.967 30.300 0.027 0.000 1.252 1328 R HN 0.549 nan 8.270 nan 0.000 0.454 1329 V N 1.495 121.448 119.914 0.064 0.000 2.637 1329 V HA 0.063 4.183 4.120 -0.001 0.000 0.296 1329 V C 1.426 177.531 176.094 0.018 0.000 1.046 1329 V CA -0.113 62.222 62.300 0.057 0.000 1.066 1329 V CB 1.333 33.217 31.823 0.101 0.000 0.968 1329 V HN 0.137 nan 8.190 nan 0.000 0.483 1330 K N 4.153 124.550 120.400 -0.004 0.000 2.448 1330 K HA 0.029 4.349 4.320 -0.001 0.000 0.278 1330 K C 1.388 177.974 176.600 -0.022 0.000 1.009 1330 K CA -0.241 56.037 56.287 -0.014 0.000 0.995 1330 K CB 0.356 32.841 32.500 -0.025 0.000 0.917 1330 K HN 0.609 nan 8.250 nan 0.000 0.481 1331 K N 2.141 122.533 120.400 -0.014 0.000 2.074 1331 K HA -0.197 4.123 4.320 -0.001 0.000 0.209 1331 K C 1.767 178.350 176.600 -0.028 0.000 1.048 1331 K CA 1.956 58.234 56.287 -0.016 0.000 0.926 1331 K CB -0.230 32.265 32.500 -0.009 0.000 0.713 1331 K HN 0.683 nan 8.250 nan 0.000 0.444 1332 S N 1.040 116.721 115.700 -0.031 0.000 2.359 1332 S HA -0.163 4.306 4.470 -0.001 0.000 0.224 1332 S C 1.378 175.941 174.600 -0.061 0.000 1.035 1332 S CA 1.796 59.972 58.200 -0.040 0.000 1.018 1332 S CB -0.217 62.961 63.200 -0.036 0.000 0.876 1332 S HN 0.303 nan 8.310 nan 0.000 0.448 1333 D N 0.836 121.191 120.400 -0.076 0.000 2.144 1333 D HA -0.044 4.595 4.640 -0.001 0.000 0.199 1333 D C 2.000 178.207 176.300 -0.155 0.000 0.984 1333 D CA 0.923 54.849 54.000 -0.123 0.000 0.834 1333 D CB -0.252 40.471 40.800 -0.130 0.000 0.955 1333 D HN 0.384 nan 8.370 nan 0.000 0.465 1334 M N 0.448 119.984 119.600 -0.107 0.000 2.175 1334 M HA -0.081 4.398 4.480 -0.001 0.000 0.264 1334 M C 1.902 178.156 176.300 -0.077 0.000 1.063 1334 M CA 1.191 56.437 55.300 -0.091 0.000 1.119 1334 M CB -0.774 31.806 32.600 -0.033 0.000 1.377 1334 M HN 0.111 nan 8.290 nan 0.000 0.415 1335 E N 0.087 120.251 120.200 -0.061 0.000 2.072 1335 E HA -0.135 4.215 4.350 -0.001 0.000 0.190 1335 E C 2.061 178.628 176.600 -0.056 0.000 0.982 1335 E CA 0.836 57.208 56.400 -0.046 0.000 0.803 1335 E CB -0.005 29.674 29.700 -0.034 0.000 0.755 1335 E HN 0.499 nan 8.360 nan 0.000 0.453 1336 K N 0.648 121.003 120.400 -0.075 0.000 2.097 1336 K HA -0.096 4.224 4.320 -0.001 0.000 0.206 1336 K C 2.200 178.745 176.600 -0.091 0.000 1.049 1336 K CA 0.809 57.049 56.287 -0.077 0.000 0.933 1336 K CB -0.087 32.359 32.500 -0.090 0.000 0.717 1336 K HN 0.111 nan 8.250 nan 0.000 0.442 1337 L N 0.506 121.648 121.223 -0.135 0.000 2.083 1337 L HA -0.182 4.158 4.340 -0.001 0.000 0.209 1337 L C 2.585 179.412 176.870 -0.072 0.000 1.083 1337 L CA 1.082 55.832 54.840 -0.149 0.000 0.752 1337 L CB -0.547 41.348 42.059 -0.274 0.000 0.899 1337 L HN 0.198 nan 8.230 nan 0.000 0.433 1338 A N -0.269 122.520 122.820 -0.052 0.000 1.898 1338 A HA -0.166 4.153 4.320 -0.001 0.000 0.216 1338 A C 2.340 179.917 177.584 -0.012 0.000 1.181 1338 A CA 1.320 53.345 52.037 -0.020 0.000 0.620 1338 A CB -0.241 18.750 19.000 -0.015 0.000 0.819 1338 A HN 0.186 nan 8.150 nan 0.000 0.442 1339 K N -0.007 120.381 120.400 -0.020 0.000 2.002 1339 K HA -0.063 4.256 4.320 -0.001 0.000 0.209 1339 K C 2.342 178.941 176.600 -0.002 0.000 1.048 1339 K CA 1.443 57.724 56.287 -0.011 0.000 0.930 1339 K CB -0.875 31.615 32.500 -0.016 0.000 0.714 1339 K HN 0.435 nan 8.250 nan 0.000 0.438 1340 A N 1.269 124.082 122.820 -0.011 0.000 1.841 1340 A HA -0.146 4.173 4.320 -0.001 0.000 0.214 1340 A C 2.379 179.972 177.584 0.014 0.000 1.195 1340 A CA 2.726 54.763 52.037 -0.001 0.000 0.611 1340 A CB -1.074 17.916 19.000 -0.016 0.000 0.835 1340 A HN 0.517 nan 8.150 nan 0.000 0.443 1341 T N -4.477 110.083 114.554 0.010 0.000 3.043 1341 T HA 0.368 4.718 4.350 -0.001 0.000 0.263 1341 T C 1.490 176.209 174.700 0.032 0.000 1.094 1341 T CA 1.251 63.367 62.100 0.025 0.000 1.127 1341 T CB -0.069 68.818 68.868 0.032 0.000 0.905 1341 T HN 1.833 nan 8.240 nan 0.000 0.490 1342 G N 1.468 110.282 108.800 0.025 0.000 2.143 1342 G HA2 -0.022 3.937 3.960 -0.001 0.000 0.249 1342 G HA3 -0.022 3.937 3.960 -0.001 0.000 0.249 1342 G C 0.280 175.196 174.900 0.025 0.000 0.981 1342 G CA -0.003 45.113 45.100 0.026 0.000 0.665 1342 G HN 1.185 nan 8.290 nan 0.000 0.528 1343 A N -0.285 122.552 122.820 0.027 0.000 2.445 1343 A HA 0.560 4.879 4.320 -0.001 0.000 0.242 1343 A C 0.429 178.028 177.584 0.026 0.000 1.075 1343 A CA 0.674 52.733 52.037 0.035 0.000 0.777 1343 A CB 0.390 19.421 19.000 0.052 0.000 1.013 1343 A HN 0.885 nan 8.150 nan 0.000 0.493 1344 N N 1.489 120.206 118.700 0.030 0.000 2.417 1344 N HA 0.375 5.115 4.740 -0.001 0.000 0.274 1344 N C -1.008 174.518 175.510 0.027 0.000 0.987 1344 N CA -0.420 52.643 53.050 0.023 0.000 0.912 1344 N CB 1.375 39.874 38.487 0.020 0.000 1.177 1344 N HN 0.283 nan 8.380 nan 0.000 0.490 1345 V N 4.817 124.744 119.914 0.022 0.000 2.485 1345 V HA 0.177 4.297 4.120 -0.001 0.000 0.287 1345 V C 0.335 176.442 176.094 0.022 0.000 1.022 1345 V CA -0.071 62.244 62.300 0.025 0.000 1.067 1345 V CB -0.115 31.717 31.823 0.016 0.000 0.967 1345 V HN 0.516 nan 8.190 nan 0.000 0.479 1346 I N 4.126 124.712 120.570 0.027 0.000 2.404 1346 I HA 0.423 4.592 4.170 -0.001 0.000 0.293 1346 I C 1.026 177.156 176.117 0.022 0.000 0.992 1346 I CA -0.369 60.944 61.300 0.022 0.000 1.149 1346 I CB 1.407 39.420 38.000 0.022 0.000 1.315 1346 I HN 0.626 nan 8.210 nan 0.000 0.446 1347 A N 5.381 128.212 122.820 0.017 0.000 1.872 1347 A HA 0.313 4.633 4.320 -0.001 0.000 0.214 1347 A C 1.111 178.705 177.584 0.017 0.000 1.187 1347 A CA 1.117 53.164 52.037 0.016 0.000 0.614 1347 A CB -0.038 18.970 19.000 0.013 0.000 0.826 1347 A HN 0.734 nan 8.150 nan 0.000 0.442 1348 A N -0.905 121.924 122.820 0.015 0.000 2.317 1348 A HA 0.654 4.973 4.320 -0.001 0.000 0.327 1348 A C 0.768 178.361 177.584 0.015 0.000 1.178 1348 A CA -0.600 51.446 52.037 0.015 0.000 0.817 1348 A CB 0.422 19.429 19.000 0.012 0.000 1.189 1348 A HN 0.306 nan 8.150 nan 0.000 0.489 1349 I N 1.898 122.477 120.570 0.015 0.000 2.264 1349 I HA -0.311 3.859 4.170 -0.001 0.000 0.248 1349 I C 2.753 178.876 176.117 0.010 0.000 1.111 1349 I CA 1.796 63.105 61.300 0.014 0.000 1.382 1349 I CB -0.206 37.802 38.000 0.014 0.000 1.060 1349 I HN 0.760 nan 8.210 nan 0.000 0.418 1350 A N 0.658 123.483 122.820 0.009 0.000 1.972 1350 A HA -0.128 4.192 4.320 -0.001 0.000 0.219 1350 A C 2.421 180.009 177.584 0.006 0.000 1.169 1350 A CA 1.721 53.761 52.037 0.006 0.000 0.635 1350 A CB -0.655 18.348 19.000 0.006 0.000 0.810 1350 A HN 0.447 nan 8.150 nan 0.000 0.446 1351 A N -0.700 122.125 122.820 0.009 0.000 2.206 1351 A HA 0.341 4.660 4.320 -0.001 0.000 0.211 1351 A C 0.915 178.505 177.584 0.010 0.000 1.158 1351 A CA -0.124 51.918 52.037 0.009 0.000 0.761 1351 A CB -0.494 18.512 19.000 0.010 0.000 0.801 1351 A HN 0.456 nan 8.150 nan 0.000 0.473 1352 L N 1.527 122.757 121.223 0.010 0.000 2.490 1352 L HA 0.193 4.533 4.340 -0.001 0.000 0.274 1352 L C 0.719 177.594 176.870 0.009 0.000 1.201 1352 L CA 0.166 55.013 54.840 0.011 0.000 0.869 1352 L CB 0.561 42.627 42.059 0.011 0.000 1.123 1352 L HN 0.470 nan 8.230 nan 0.000 0.484 1353 S N 1.318 117.024 115.700 0.010 0.000 2.651 1353 S HA 0.612 5.081 4.470 -0.001 0.000 0.279 1353 S C 0.439 175.045 174.600 0.011 0.000 1.148 1353 S CA -0.283 57.922 58.200 0.009 0.000 0.837 1353 S CB 1.652 64.857 63.200 0.008 0.000 1.138 1353 S HN 0.598 nan 8.310 nan 0.000 0.478 1354 A N 0.589 123.414 122.820 0.009 0.000 1.978 1354 A HA -0.067 4.252 4.320 -0.001 0.000 0.220 1354 A C 1.947 179.539 177.584 0.014 0.000 1.170 1354 A CA 1.330 53.374 52.037 0.011 0.000 0.636 1354 A CB -0.844 18.161 19.000 0.009 0.000 0.810 1354 A HN 0.730 nan 8.150 nan 0.000 0.448 1355 Q N 0.121 119.929 119.800 0.013 0.000 2.436 1355 Q HA -0.090 4.249 4.340 -0.001 0.000 0.209 1355 Q C 0.388 176.398 176.000 0.017 0.000 0.965 1355 Q CA 0.937 56.748 55.803 0.014 0.000 0.910 1355 Q CB -0.189 28.556 28.738 0.011 0.000 0.980 1355 Q HN 0.658 nan 8.270 nan 0.000 0.491 1356 D N -0.184 120.227 120.400 0.018 0.000 2.339 1356 D HA 0.083 4.723 4.640 -0.001 0.000 0.217 1356 D C 0.408 176.724 176.300 0.028 0.000 1.050 1356 D CA 0.104 54.117 54.000 0.022 0.000 0.856 1356 D CB 0.608 41.420 40.800 0.021 0.000 0.922 1356 D HN 0.197 nan 8.370 nan 0.000 0.518 1357 L N 0.779 122.018 121.223 0.028 0.000 2.371 1357 L HA 0.430 4.769 4.340 -0.001 0.000 0.272 1357 L C 1.121 178.013 176.870 0.036 0.000 1.124 1357 L CA -0.530 54.330 54.840 0.034 0.000 0.816 1357 L CB 1.392 43.468 42.059 0.029 0.000 1.129 1357 L HN -0.138 nan 8.230 nan 0.000 0.448 1358 G N 1.121 109.948 108.800 0.045 0.000 2.471 1358 G HA2 0.480 4.440 3.960 -0.001 0.000 0.332 1358 G HA3 0.480 4.440 3.960 -0.001 0.000 0.332 1358 G C -1.246 173.681 174.900 0.046 0.000 1.176 1358 G CA -0.459 44.667 45.100 0.044 0.000 0.949 1358 G HN 0.520 nan 8.290 nan 0.000 0.488 1359 D N -0.179 120.246 120.400 0.040 0.000 2.248 1359 D HA 0.621 5.260 4.640 -0.001 0.000 0.246 1359 D C -0.285 176.034 176.300 0.033 0.000 1.027 1359 D CA 0.042 54.063 54.000 0.034 0.000 0.853 1359 D CB 2.137 42.952 40.800 0.026 0.000 1.243 1359 D HN 0.580 nan 8.370 nan 0.000 0.462 1360 A N 0.425 123.266 122.820 0.035 0.000 2.486 1360 A HA 0.628 4.948 4.320 -0.001 0.000 0.300 1360 A C 0.928 178.527 177.584 0.026 0.000 1.048 1360 A CA -0.420 51.639 52.037 0.035 0.000 0.696 1360 A CB 1.718 20.755 19.000 0.062 0.000 1.278 1360 A HN 0.500 nan 8.150 nan 0.000 0.405 1361 G N 0.221 109.031 108.800 0.016 0.000 2.404 1361 G HA2 0.291 4.251 3.960 -0.001 0.000 0.215 1361 G HA3 0.291 4.251 3.960 -0.001 0.000 0.215 1361 G C 0.305 175.218 174.900 0.021 0.000 1.174 1361 G CA 1.681 46.786 45.100 0.009 0.000 0.780 1361 G HN 1.159 nan 8.290 nan 0.000 0.537 1362 L N -0.045 121.200 121.223 0.036 0.000 2.493 1362 L HA 0.646 4.986 4.340 -0.001 0.000 0.265 1362 L C -1.354 175.564 176.870 0.079 0.000 0.954 1362 L CA -0.806 54.061 54.840 0.046 0.000 0.844 1362 L CB 2.578 44.657 42.059 0.033 0.000 1.302 1362 L HN -0.121 nan 8.230 nan 0.000 0.405 1363 V N 4.429 124.394 119.914 0.084 0.000 2.376 1363 V HA 0.638 4.758 4.120 -0.001 0.000 0.287 1363 V C -0.536 175.621 176.094 0.106 0.000 1.015 1363 V CA -0.441 61.932 62.300 0.122 0.000 0.834 1363 V CB 1.418 33.318 31.823 0.128 0.000 1.001 1363 V HN 0.829 nan 8.190 nan 0.000 0.428 1364 E N 3.155 123.442 120.200 0.145 0.000 2.308 1364 E HA 0.388 4.738 4.350 -0.001 0.000 0.275 1364 E C -1.018 175.688 176.600 0.177 0.000 0.890 1364 E CA -0.655 55.817 56.400 0.119 0.000 0.754 1364 E CB 2.193 31.936 29.700 0.073 0.000 1.207 1364 E HN 0.751 nan 8.360 nan 0.000 0.426 1365 E N 4.330 124.604 120.200 0.123 0.000 2.152 1365 E HA 0.236 4.586 4.350 -0.001 0.000 0.285 1365 E C -0.907 175.769 176.600 0.127 0.000 1.043 1365 E CA -0.205 56.275 56.400 0.133 0.000 0.839 1365 E CB 0.678 30.424 29.700 0.078 0.000 1.069 1365 E HN 0.351 nan 8.360 nan 0.000 0.399 1366 R N 3.702 124.322 120.500 0.199 0.000 2.686 1366 R HA 0.396 4.735 4.340 -0.001 0.000 0.283 1366 R C -0.818 175.579 176.300 0.162 0.000 0.978 1366 R CA -0.908 55.281 56.100 0.148 0.000 0.897 1366 R CB 2.021 32.381 30.300 0.101 0.000 1.192 1366 R HN 0.333 nan 8.270 nan 0.000 0.457 1367 K N 2.685 123.141 120.400 0.094 0.000 2.367 1367 K HA 0.406 4.725 4.320 -0.001 0.000 0.263 1367 K C -0.884 175.759 176.600 0.071 0.000 1.000 1367 K CA -0.489 55.846 56.287 0.080 0.000 0.891 1367 K CB 1.213 33.742 32.500 0.049 0.000 1.117 1367 K HN 0.290 nan 8.250 nan 0.000 0.443 1368 I N 1.687 122.312 120.570 0.092 0.000 2.382 1368 I HA 0.083 4.253 4.170 -0.001 0.000 0.286 1368 I C 0.575 176.724 176.117 0.054 0.000 1.002 1368 I CA -0.053 61.292 61.300 0.076 0.000 1.135 1368 I CB 1.907 39.978 38.000 0.118 0.000 1.288 1368 I HN 0.666 nan 8.210 nan 0.000 0.448 1369 S N 4.433 120.155 115.700 0.036 0.000 3.672 1369 S HA -0.181 4.288 4.470 -0.001 0.000 0.319 1369 S C 1.264 175.877 174.600 0.022 0.000 1.151 1369 S CA 1.369 59.584 58.200 0.025 0.000 0.911 1369 S CB -1.248 61.965 63.200 0.023 0.000 0.939 1369 S HN 1.697 nan 8.310 nan 0.000 0.524 1370 G N -0.018 108.796 108.800 0.024 0.000 2.383 1370 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.229 1370 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.229 1370 G C -0.294 174.621 174.900 0.026 0.000 1.089 1370 G CA 0.291 45.404 45.100 0.021 0.000 0.640 1370 G HN 0.688 nan 8.290 nan 0.000 0.510 1371 D N 1.268 121.685 120.400 0.029 0.000 2.345 1371 D HA 0.470 5.110 4.640 -0.001 0.000 0.247 1371 D C 0.447 176.774 176.300 0.045 0.000 1.108 1371 D CA 0.647 54.664 54.000 0.029 0.000 0.894 1371 D CB 1.573 42.386 40.800 0.021 0.000 1.203 1371 D HN 0.259 nan 8.370 nan 0.000 0.430 1372 S N 2.051 117.776 115.700 0.041 0.000 2.523 1372 S HA 0.482 4.951 4.470 -0.001 0.000 0.275 1372 S C -0.131 174.499 174.600 0.050 0.000 1.281 1372 S CA -0.729 57.505 58.200 0.056 0.000 1.050 1372 S CB 0.047 63.275 63.200 0.046 0.000 0.937 1372 S HN 0.406 nan 8.310 nan 0.000 0.492 1373 M N 4.535 124.182 119.600 0.078 0.000 2.421 1373 M HA 0.524 5.004 4.480 -0.001 0.000 0.287 1373 M C -1.867 174.471 176.300 0.064 0.000 1.183 1373 M CA -0.643 54.665 55.300 0.013 0.000 0.916 1373 M CB 1.086 33.639 32.600 -0.079 0.000 1.701 1373 M HN 0.419 nan 8.290 nan 0.000 0.470 1374 I N 2.920 123.493 120.570 0.006 0.000 2.336 1374 I HA 0.421 4.591 4.170 -0.001 0.000 0.292 1374 I C -1.170 174.928 176.117 -0.033 0.000 0.991 1374 I CA -0.392 60.974 61.300 0.110 0.000 1.227 1374 I CB 1.114 39.233 38.000 0.199 0.000 1.366 1374 I HN 0.503 nan 8.210 nan 0.000 0.466 1375 F N 5.830 125.817 119.950 0.063 0.000 2.391 1375 F HA 0.352 4.878 4.527 -0.001 0.000 0.359 1375 F C 0.137 175.971 175.800 0.056 0.000 1.122 1375 F CA -0.647 57.378 58.000 0.042 0.000 1.120 1375 F CB 1.289 40.305 39.000 0.027 0.000 1.142 1375 F HN 0.031 nan 8.300 nan 0.000 0.483 1376 V N 4.381 124.387 119.914 0.152 0.000 2.293 1376 V HA 0.352 4.472 4.120 -0.001 0.000 0.275 1376 V C -0.307 175.846 176.094 0.098 0.000 1.021 1376 V CA -0.559 61.812 62.300 0.118 0.000 0.815 1376 V CB 0.488 32.350 31.823 0.066 0.000 1.025 1376 V HN 0.824 nan 8.190 nan 0.000 0.448 1377 E N 3.047 123.311 120.200 0.106 0.000 2.433 1377 E HA 0.644 4.993 4.350 -0.001 0.000 0.273 1377 E C -0.692 175.937 176.600 0.048 0.000 0.950 1377 E CA -0.872 55.578 56.400 0.083 0.000 0.796 1377 E CB 1.618 31.384 29.700 0.110 0.000 1.330 1377 E HN 0.194 nan 8.360 nan 0.000 0.455 1378 E N -0.957 119.260 120.200 0.028 0.000 2.513 1378 E HA -0.161 4.189 4.350 -0.001 0.000 0.257 1378 E C -0.491 176.103 176.600 -0.010 0.000 1.098 1378 E CA 0.677 57.080 56.400 0.005 0.000 0.752 1378 E CB -2.478 27.224 29.700 0.004 0.000 1.324 1378 E HN 0.593 nan 8.360 nan 0.000 0.403 1379 C N 0.470 119.766 119.300 -0.007 0.000 2.705 1379 C HA 0.072 4.531 4.460 -0.001 0.000 0.382 1379 C C 2.362 177.308 174.990 -0.073 0.000 1.322 1379 C CA -0.068 58.939 59.018 -0.018 0.000 2.290 1379 C CB 0.424 28.165 27.740 0.002 0.000 2.650 1379 C HN 0.408 nan 8.230 nan 0.000 0.695 1380 K N 0.301 120.640 120.400 -0.102 0.000 1.969 1380 K HA -0.106 4.214 4.320 -0.001 0.000 0.216 1380 K C 0.416 176.718 176.600 -0.497 0.000 1.048 1380 K CA 1.468 57.590 56.287 -0.275 0.000 0.948 1380 K CB -0.113 32.276 32.500 -0.184 0.000 0.726 1380 K HN 0.670 nan 8.250 nan 0.000 0.442 1381 H N 0.249 119.325 119.070 0.010 0.000 2.448 1381 H HA 0.225 4.781 4.556 -0.001 0.000 0.237 1381 H C -2.505 172.826 175.328 0.006 0.000 1.391 1381 H CA -2.013 54.039 56.048 0.007 0.000 1.477 1381 H CB 0.614 30.379 29.762 0.006 0.000 1.520 1381 H HN 0.189 nan 8.280 nan 0.000 0.502 1382 P HA 0.069 nan 4.420 nan 0.000 0.271 1382 P C 0.681 178.010 177.300 0.047 0.000 1.226 1382 P CA -0.406 62.721 63.100 0.045 0.000 0.765 1382 P CB 1.673 33.387 31.700 0.023 0.000 0.835 1383 K N 0.936 121.357 120.400 0.034 0.000 2.358 1383 K HA 0.376 4.695 4.320 -0.001 0.000 0.197 1383 K C 0.596 177.202 176.600 0.010 0.000 1.025 1383 K CA 0.002 56.303 56.287 0.023 0.000 1.104 1383 K CB 0.741 33.252 32.500 0.019 0.000 0.855 1383 K HN 0.551 nan 8.250 nan 0.000 0.531 1384 A N 0.899 123.722 122.820 0.005 0.000 2.486 1384 A HA 0.620 4.940 4.320 -0.001 0.000 0.300 1384 A C -0.558 177.023 177.584 -0.005 0.000 1.048 1384 A CA -0.714 51.319 52.037 -0.006 0.000 0.696 1384 A CB 1.515 20.504 19.000 -0.019 0.000 1.278 1384 A HN -0.063 nan 8.150 nan 0.000 0.405 1385 V N -1.214 118.696 119.914 -0.006 0.000 3.102 1385 V HA 0.979 5.099 4.120 -0.001 0.000 0.312 1385 V C -0.433 175.654 176.094 -0.011 0.000 1.135 1385 V CA -0.621 61.678 62.300 -0.002 0.000 1.022 1385 V CB 1.639 33.467 31.823 0.008 0.000 1.056 1385 V HN 0.900 nan 8.190 nan 0.000 0.436 1386 T N 3.332 117.883 114.554 -0.005 0.000 2.886 1386 T HA 0.580 4.930 4.350 -0.001 0.000 0.292 1386 T C -0.632 174.072 174.700 0.006 0.000 1.012 1386 T CA -0.260 61.830 62.100 -0.017 0.000 0.982 1386 T CB 1.515 70.353 68.868 -0.051 0.000 1.018 1386 T HN 0.982 nan 8.240 nan 0.000 0.451 1387 M N 4.256 123.857 119.600 0.001 0.000 2.066 1387 M HA 0.540 5.020 4.480 -0.001 0.000 0.340 1387 M C -1.503 174.806 176.300 0.014 0.000 1.053 1387 M CA -1.102 54.206 55.300 0.015 0.000 0.983 1387 M CB 0.572 33.178 32.600 0.010 0.000 1.520 1387 M HN 0.476 nan 8.290 nan 0.000 0.428 1388 L N 7.576 128.823 121.223 0.039 0.000 2.255 1388 L HA 0.524 4.864 4.340 -0.001 0.000 0.289 1388 L C -1.232 175.663 176.870 0.041 0.000 1.046 1388 L CA 0.063 54.931 54.840 0.047 0.000 0.816 1388 L CB 0.515 42.641 42.059 0.110 0.000 1.197 1388 L HN 0.673 nan 8.230 nan 0.000 0.427 1389 I N 5.884 126.469 120.570 0.025 0.000 2.331 1389 I HA 0.437 4.607 4.170 -0.001 0.000 0.292 1389 I C 0.136 176.266 176.117 0.022 0.000 0.998 1389 I CA -0.585 60.727 61.300 0.021 0.000 1.267 1389 I CB 0.581 38.588 38.000 0.013 0.000 1.386 1389 I HN 0.526 nan 8.210 nan 0.000 0.476 1390 R N 4.124 124.638 120.500 0.023 0.000 2.873 1390 R HA 0.899 5.239 4.340 -0.001 0.000 0.264 1390 R C -0.272 176.038 176.300 0.017 0.000 1.026 1390 R CA -1.041 55.072 56.100 0.021 0.000 1.002 1390 R CB 1.944 32.258 30.300 0.025 0.000 1.174 1390 R HN 0.864 nan 8.270 nan 0.000 0.488 1391 G N -1.034 107.775 108.800 0.015 0.000 2.340 1391 G HA2 -0.002 3.958 3.960 -0.001 0.000 0.298 1391 G HA3 -0.002 3.958 3.960 -0.001 0.000 0.298 1391 G C -0.073 174.834 174.900 0.013 0.000 1.498 1391 G CA -0.250 44.859 45.100 0.015 0.000 0.847 1391 G HN 0.377 nan 8.290 nan 0.000 0.594 1392 T N -0.551 114.012 114.554 0.015 0.000 3.035 1392 T HA 0.315 4.665 4.350 -0.001 0.000 0.268 1392 T C 0.776 175.485 174.700 0.014 0.000 1.109 1392 T CA 2.113 64.222 62.100 0.014 0.000 1.119 1392 T CB -0.236 68.642 68.868 0.016 0.000 0.900 1392 T HN 0.700 nan 8.240 nan 0.000 0.503 1393 T N 0.192 114.756 114.554 0.016 0.000 2.894 1393 T HA 0.298 4.647 4.350 -0.001 0.000 0.309 1393 T C 0.284 174.979 174.700 -0.007 0.000 1.208 1393 T CA -0.682 61.426 62.100 0.013 0.000 1.016 1393 T CB 2.159 71.053 68.868 0.043 0.000 1.192 1393 T HN -0.079 nan 8.240 nan 0.000 0.491 1394 E N 0.708 120.871 120.200 -0.061 0.000 2.085 1394 E HA -0.194 4.155 4.350 -0.001 0.000 0.194 1394 E C 1.566 178.085 176.600 -0.137 0.000 0.994 1394 E CA 1.837 58.157 56.400 -0.133 0.000 0.801 1394 E CB -0.059 29.500 29.700 -0.234 0.000 0.743 1394 E HN 0.609 nan 8.360 nan 0.000 0.453 1395 H N -0.886 118.187 119.070 0.005 0.000 2.495 1395 H HA 0.018 4.574 4.556 -0.001 0.000 0.287 1395 H C 2.036 177.367 175.328 0.005 0.000 1.033 1395 H CA 1.148 57.199 56.048 0.004 0.000 1.307 1395 H CB 0.111 29.876 29.762 0.004 0.000 1.401 1395 H HN 0.113 nan 8.280 nan 0.000 0.555 1396 V N 1.970 121.949 119.914 0.109 0.000 2.283 1396 V HA -0.201 3.919 4.120 -0.001 0.000 0.243 1396 V C 2.656 178.775 176.094 0.043 0.000 1.039 1396 V CA 1.669 64.007 62.300 0.065 0.000 1.016 1396 V CB -0.519 31.332 31.823 0.046 0.000 0.650 1396 V HN 0.401 nan 8.190 nan 0.000 0.449 1397 I N -1.079 119.506 120.570 0.026 0.000 2.756 1397 I HA -0.150 4.020 4.170 -0.001 0.000 0.262 1397 I C 2.239 178.365 176.117 0.015 0.000 1.225 1397 I CA 1.858 63.167 61.300 0.015 0.000 1.472 1397 I CB -0.498 37.503 38.000 0.003 0.000 1.094 1397 I HN 0.421 nan 8.210 nan 0.000 0.454 1398 E N 1.798 122.012 120.200 0.022 0.000 2.046 1398 E HA -0.272 4.078 4.350 -0.001 0.000 0.190 1398 E C 2.232 178.857 176.600 0.043 0.000 0.982 1398 E CA 1.060 57.480 56.400 0.033 0.000 0.800 1398 E CB -0.144 29.593 29.700 0.061 0.000 0.756 1398 E HN 0.542 nan 8.360 nan 0.000 0.449 1399 E N 0.598 120.830 120.200 0.054 0.000 2.153 1399 E HA -0.148 4.202 4.350 -0.001 0.000 0.194 1399 E C 2.093 178.710 176.600 0.029 0.000 0.988 1399 E CA 1.039 57.464 56.400 0.041 0.000 0.811 1399 E CB 0.102 29.828 29.700 0.043 0.000 0.746 1399 E HN 0.215 nan 8.360 nan 0.000 0.466 1400 V N 1.378 121.308 119.914 0.027 0.000 2.358 1400 V HA -0.213 3.907 4.120 -0.001 0.000 0.246 1400 V C 2.667 178.771 176.094 0.017 0.000 1.047 1400 V CA 1.632 63.944 62.300 0.021 0.000 1.035 1400 V CB -0.930 30.904 31.823 0.020 0.000 0.658 1400 V HN 0.359 nan 8.190 nan 0.000 0.452 1401 A N 0.507 123.336 122.820 0.015 0.000 1.908 1401 A HA -0.302 4.017 4.320 -0.001 0.000 0.218 1401 A C 2.310 179.900 177.584 0.011 0.000 1.181 1401 A CA 2.435 54.478 52.037 0.010 0.000 0.627 1401 A CB -0.552 18.452 19.000 0.007 0.000 0.818 1401 A HN 0.469 nan 8.150 nan 0.000 0.445 1402 R N 0.035 120.543 120.500 0.014 0.000 2.075 1402 R HA 0.011 4.351 4.340 -0.001 0.000 0.232 1402 R C 2.174 178.482 176.300 0.012 0.000 1.126 1402 R CA 1.884 57.992 56.100 0.013 0.000 0.963 1402 R CB -0.893 29.416 30.300 0.016 0.000 0.858 1402 R HN 0.393 nan 8.270 nan 0.000 0.435 1403 A N 0.135 122.964 122.820 0.015 0.000 1.883 1403 A HA -0.140 4.180 4.320 -0.001 0.000 0.217 1403 A C 2.225 179.817 177.584 0.013 0.000 1.186 1403 A CA 2.075 54.121 52.037 0.016 0.000 0.624 1403 A CB -0.970 18.041 19.000 0.019 0.000 0.822 1403 A HN 0.329 nan 8.150 nan 0.000 0.444 1404 V N -2.432 117.489 119.914 0.012 0.000 2.871 1404 V HA -0.118 4.002 4.120 -0.001 0.000 0.256 1404 V C 1.914 178.012 176.094 0.007 0.000 1.082 1404 V CA 2.018 64.324 62.300 0.010 0.000 1.105 1404 V CB -0.663 31.166 31.823 0.009 0.000 0.713 1404 V HN 0.549 nan 8.190 nan 0.000 0.473 1405 D N 1.522 121.926 120.400 0.007 0.000 2.104 1405 D HA -0.263 4.376 4.640 -0.001 0.000 0.194 1405 D C 1.626 177.929 176.300 0.005 0.000 0.994 1405 D CA 2.303 56.306 54.000 0.004 0.000 0.830 1405 D CB -0.071 40.732 40.800 0.004 0.000 0.959 1405 D HN 0.602 nan 8.370 nan 0.000 0.452 1406 D N 0.107 120.511 120.400 0.007 0.000 2.144 1406 D HA -0.061 4.579 4.640 -0.001 0.000 0.200 1406 D C 2.039 178.343 176.300 0.007 0.000 0.978 1406 D CA 1.370 55.374 54.000 0.007 0.000 0.833 1406 D CB -0.262 40.543 40.800 0.008 0.000 0.961 1406 D HN 0.255 nan 8.370 nan 0.000 0.470 1407 A N 0.385 123.210 122.820 0.008 0.000 1.908 1407 A HA -0.166 4.153 4.320 -0.001 0.000 0.218 1407 A C 2.365 179.952 177.584 0.006 0.000 1.181 1407 A CA 1.182 53.224 52.037 0.008 0.000 0.627 1407 A CB -0.840 18.165 19.000 0.009 0.000 0.818 1407 A HN 0.152 nan 8.150 nan 0.000 0.445 1408 V N -0.115 119.803 119.914 0.005 0.000 2.295 1408 V HA -0.197 3.922 4.120 -0.001 0.000 0.246 1408 V C 2.830 178.926 176.094 0.004 0.000 1.049 1408 V CA 2.011 64.314 62.300 0.004 0.000 1.024 1408 V CB -1.494 30.331 31.823 0.003 0.000 0.648 1408 V HN 0.618 nan 8.190 nan 0.000 0.447 1409 G N 0.456 109.258 108.800 0.004 0.000 2.446 1409 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.217 1409 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.217 1409 G C 1.724 176.626 174.900 0.004 0.000 1.168 1409 G CA 1.664 46.766 45.100 0.003 0.000 0.771 1409 G HN 0.594 nan 8.290 nan 0.000 0.551 1410 V N -1.442 118.475 119.914 0.005 0.000 2.591 1410 V HA -0.009 4.110 4.120 -0.001 0.000 0.249 1410 V C 2.652 178.749 176.094 0.005 0.000 1.053 1410 V CA 1.367 63.670 62.300 0.005 0.000 1.068 1410 V CB -0.484 31.343 31.823 0.007 0.000 0.689 1410 V HN 0.132 nan 8.190 nan 0.000 0.462 1411 V N 1.991 121.908 119.914 0.005 0.000 2.453 1411 V HA -0.024 4.095 4.120 -0.001 0.000 0.247 1411 V C 2.904 179.000 176.094 0.004 0.000 1.048 1411 V CA 2.138 64.441 62.300 0.005 0.000 1.049 1411 V CB -1.297 30.528 31.823 0.005 0.000 0.672 1411 V HN 0.625 nan 8.190 nan 0.000 0.457 1412 G N -1.118 107.684 108.800 0.004 0.000 2.422 1412 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.218 1412 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.218 1412 G C 1.722 176.624 174.900 0.003 0.000 1.146 1412 G CA 1.291 46.393 45.100 0.003 0.000 0.769 1412 G HN 0.536 nan 8.290 nan 0.000 0.547 1413 C N 0.541 119.843 119.300 0.003 0.000 2.429 1413 C HA -0.024 4.436 4.460 -0.001 0.000 0.277 1413 C C 3.208 178.200 174.990 0.004 0.000 1.262 1413 C CA 1.504 60.524 59.018 0.003 0.000 1.733 1413 C CB -1.036 26.706 27.740 0.004 0.000 2.010 1413 C HN 0.426 nan 8.230 nan 0.000 0.483 1414 T N 1.103 115.660 114.554 0.004 0.000 2.833 1414 T HA -0.043 4.307 4.350 -0.001 0.000 0.269 1414 T C 1.567 176.269 174.700 0.003 0.000 1.054 1414 T CA 1.205 63.308 62.100 0.004 0.000 1.135 1414 T CB -0.212 68.659 68.868 0.004 0.000 0.869 1414 T HN 0.514 nan 8.240 nan 0.000 0.466 1415 I N 0.463 121.035 120.570 0.003 0.000 2.480 1415 I HA -0.017 4.152 4.170 -0.001 0.000 0.251 1415 I C 2.519 178.638 176.117 0.002 0.000 1.124 1415 I CA 0.942 62.244 61.300 0.003 0.000 1.444 1415 I CB -0.212 37.789 38.000 0.003 0.000 1.098 1415 I HN 0.227 nan 8.210 nan 0.000 0.428 1416 E N 0.132 120.333 120.200 0.002 0.000 2.110 1416 E HA -0.176 4.174 4.350 -0.001 0.000 0.193 1416 E C 0.532 177.134 176.600 0.002 0.000 0.988 1416 E CA 0.829 57.230 56.400 0.002 0.000 0.804 1416 E CB 0.165 29.866 29.700 0.002 0.000 0.745 1416 E HN 0.257 nan 8.360 nan 0.000 0.458 1417 D N -1.046 119.355 120.400 0.002 0.000 2.620 1417 D HA 0.126 4.765 4.640 -0.001 0.000 0.252 1417 D C -0.195 176.106 176.300 0.003 0.000 1.207 1417 D CA -0.363 53.638 54.000 0.002 0.000 0.884 1417 D CB 1.596 42.398 40.800 0.002 0.000 1.262 1417 D HN 0.055 nan 8.370 nan 0.000 0.552 1418 G N 3.397 112.199 108.800 0.002 0.000 3.340 1418 G HA2 0.085 4.044 3.960 -0.001 0.000 0.240 1418 G HA3 0.085 4.044 3.960 -0.001 0.000 0.240 1418 G C 0.405 175.307 174.900 0.003 0.000 1.327 1418 G CA -0.140 44.961 45.100 0.003 0.000 1.170 1418 G HN 0.293 nan 8.290 nan 0.000 0.520 1419 R N -0.459 120.043 120.500 0.004 0.000 2.621 1419 R HA 0.621 4.961 4.340 -0.001 0.000 0.292 1419 R C -0.760 175.543 176.300 0.006 0.000 0.969 1419 R CA -0.789 55.314 56.100 0.005 0.000 0.887 1419 R CB 2.043 32.346 30.300 0.005 0.000 1.180 1419 R HN 0.265 nan 8.270 nan 0.000 0.450 1420 I N -1.052 119.522 120.570 0.007 0.000 3.002 1420 I HA 0.775 4.944 4.170 -0.001 0.000 0.310 1420 I C -0.538 175.586 176.117 0.012 0.000 1.087 1420 I CA -1.188 60.117 61.300 0.009 0.000 1.017 1420 I CB 2.084 40.089 38.000 0.009 0.000 1.226 1420 I HN 0.359 nan 8.210 nan 0.000 0.443 1421 V N -0.143 119.780 119.914 0.015 0.000 2.962 1421 V HA 0.820 4.939 4.120 -0.001 0.000 0.313 1421 V C 0.059 176.168 176.094 0.024 0.000 1.099 1421 V CA -0.467 61.846 62.300 0.021 0.000 0.971 1421 V CB 1.124 32.959 31.823 0.020 0.000 1.028 1421 V HN 1.139 nan 8.190 nan 0.000 0.430 1422 S N 2.190 117.910 115.700 0.033 0.000 2.562 1422 S HA 0.649 5.119 4.470 -0.001 0.000 0.281 1422 S C 0.590 175.210 174.600 0.033 0.000 1.333 1422 S CA 0.161 58.383 58.200 0.037 0.000 1.052 1422 S CB 0.867 64.098 63.200 0.052 0.000 0.884 1422 S HN 1.773 nan 8.310 nan 0.000 0.506 1423 G N 0.577 109.396 108.800 0.032 0.000 2.630 1423 G HA2 0.532 4.492 3.960 -0.001 0.000 0.223 1423 G HA3 0.532 4.492 3.960 -0.001 0.000 0.223 1423 G C 0.931 175.848 174.900 0.027 0.000 1.434 1423 G CA -0.540 44.576 45.100 0.027 0.000 1.057 1423 G HN 2.040 nan 8.290 nan 0.000 0.570 1424 G N -1.916 106.900 108.800 0.026 0.000 2.225 1424 G HA2 0.232 4.191 3.960 -0.001 0.000 0.267 1424 G HA3 0.232 4.191 3.960 -0.001 0.000 0.267 1424 G C 1.478 176.375 174.900 -0.006 0.000 1.024 1424 G CA 1.214 46.326 45.100 0.020 0.000 0.784 1424 G HN 2.457 nan 8.290 nan 0.000 0.507 1425 G N -1.401 107.386 108.800 -0.021 0.000 2.162 1425 G HA2 -0.140 3.820 3.960 -0.001 0.000 0.260 1425 G HA3 -0.140 3.820 3.960 -0.001 0.000 0.260 1425 G C 1.510 176.358 174.900 -0.086 0.000 0.976 1425 G CA 1.692 46.761 45.100 -0.053 0.000 0.655 1425 G HN 1.957 nan 8.290 nan 0.000 0.533 1426 S N 0.119 115.787 115.700 -0.053 0.000 2.370 1426 S HA -0.184 4.286 4.470 -0.001 0.000 0.226 1426 S C 2.801 177.316 174.600 -0.141 0.000 1.033 1426 S CA 2.848 61.002 58.200 -0.076 0.000 1.011 1426 S CB -0.593 62.659 63.200 0.086 0.000 0.852 1426 S HN 1.400 nan 8.310 nan 0.000 0.457 1427 T N 0.025 114.547 114.554 -0.054 0.000 2.614 1427 T HA -0.096 4.254 4.350 -0.001 0.000 0.263 1427 T C 1.568 176.214 174.700 -0.089 0.000 1.055 1427 T CA 1.625 63.701 62.100 -0.041 0.000 1.162 1427 T CB -1.066 67.793 68.868 -0.017 0.000 0.863 1427 T HN 0.417 nan 8.240 nan 0.000 0.414 1428 E N 0.937 121.081 120.200 -0.092 0.000 2.187 1428 E HA -0.077 4.273 4.350 -0.001 0.000 0.199 1428 E C 2.240 178.759 176.600 -0.135 0.000 1.004 1428 E CA 0.971 57.310 56.400 -0.102 0.000 0.813 1428 E CB -0.706 28.934 29.700 -0.099 0.000 0.736 1428 E HN 0.436 nan 8.360 nan 0.000 0.468 1429 V N 0.436 120.217 119.914 -0.223 0.000 2.453 1429 V HA -0.200 3.919 4.120 -0.001 0.000 0.247 1429 V C 2.262 178.170 176.094 -0.311 0.000 1.048 1429 V CA 1.761 63.878 62.300 -0.304 0.000 1.049 1429 V CB -0.366 31.174 31.823 -0.471 0.000 0.672 1429 V HN 0.217 nan 8.190 nan 0.000 0.457 1430 E N 0.784 120.772 120.200 -0.354 0.000 2.077 1430 E HA -0.196 4.154 4.350 -0.001 0.000 0.193 1430 E C 2.017 178.628 176.600 0.019 0.000 0.989 1430 E CA 1.572 57.972 56.400 0.000 0.000 0.800 1430 E CB -0.420 29.365 29.700 0.141 0.000 0.746 1430 E HN 0.553 nan 8.360 nan 0.000 0.452 1431 L N -0.007 121.205 121.223 -0.017 0.000 2.046 1431 L HA -0.146 4.194 4.340 -0.001 0.000 0.208 1431 L C 2.666 179.554 176.870 0.031 0.000 1.077 1431 L CA 1.356 56.205 54.840 0.015 0.000 0.747 1431 L CB -0.671 41.392 42.059 0.006 0.000 0.896 1431 L HN 0.195 nan 8.230 nan 0.000 0.432 1432 S N -0.314 115.382 115.700 -0.006 0.000 2.356 1432 S HA -0.200 4.270 4.470 -0.001 0.000 0.223 1432 S C 2.126 176.749 174.600 0.038 0.000 1.032 1432 S CA 1.259 59.465 58.200 0.008 0.000 1.005 1432 S CB -0.017 63.167 63.200 -0.027 0.000 0.867 1432 S HN 0.212 nan 8.310 nan 0.000 0.449 1433 M N 0.888 120.510 119.600 0.037 0.000 2.117 1433 M HA 0.032 4.512 4.480 -0.001 0.000 0.262 1433 M C 1.997 178.343 176.300 0.076 0.000 1.065 1433 M CA 1.467 56.806 55.300 0.064 0.000 1.114 1433 M CB -0.997 31.661 32.600 0.096 0.000 1.361 1433 M HN 0.239 nan 8.290 nan 0.000 0.408 1434 K N -0.010 120.437 120.400 0.079 0.000 2.211 1434 K HA 0.194 4.513 4.320 -0.001 0.000 0.201 1434 K C 2.066 178.737 176.600 0.118 0.000 1.052 1434 K CA 0.567 56.905 56.287 0.085 0.000 0.973 1434 K CB -0.225 32.313 32.500 0.064 0.000 0.766 1434 K HN 0.351 nan 8.250 nan 0.000 0.466 1435 L N 0.349 121.645 121.223 0.120 0.000 2.240 1435 L HA -0.011 4.329 4.340 -0.001 0.000 0.211 1435 L C 2.299 179.295 176.870 0.208 0.000 1.106 1435 L CA 0.750 55.703 54.840 0.189 0.000 0.793 1435 L CB -0.195 41.979 42.059 0.192 0.000 0.927 1435 L HN 0.076 nan 8.230 nan 0.000 0.446 1436 R N 0.036 120.620 120.500 0.140 0.000 2.148 1436 R HA -0.116 4.224 4.340 -0.001 0.000 0.223 1436 R C 1.977 178.334 176.300 0.095 0.000 1.088 1436 R CA 0.980 57.144 56.100 0.107 0.000 0.985 1436 R CB -0.052 30.294 30.300 0.075 0.000 0.880 1436 R HN 0.446 nan 8.270 nan 0.000 0.451 1437 E N -0.499 119.766 120.200 0.109 0.000 2.112 1437 E HA -0.172 4.178 4.350 -0.001 0.000 0.190 1437 E C 1.437 178.106 176.600 0.116 0.000 0.979 1437 E CA 0.674 57.131 56.400 0.094 0.000 0.814 1437 E CB -0.052 29.702 29.700 0.090 0.000 0.762 1437 E HN 0.280 nan 8.360 nan 0.000 0.460 1438 Y N 1.594 121.910 120.300 0.027 0.000 2.224 1438 Y HA -0.208 4.342 4.550 -0.001 0.000 0.289 1438 Y C 2.180 178.091 175.900 0.019 0.000 1.146 1438 Y CA 1.258 59.370 58.100 0.020 0.000 1.182 1438 Y CB -0.383 38.087 38.460 0.018 0.000 0.983 1438 Y HN -0.013 nan 8.280 nan 0.000 0.524 1439 A N 0.239 123.063 122.820 0.006 0.000 1.940 1439 A HA -0.180 4.139 4.320 -0.001 0.000 0.219 1439 A C 2.119 179.649 177.584 -0.090 0.000 1.176 1439 A CA 1.859 53.863 52.037 -0.055 0.000 0.631 1439 A CB -0.532 18.496 19.000 0.047 0.000 0.814 1439 A HN 0.523 nan 8.150 nan 0.000 0.446 1440 E N -0.496 119.673 120.200 -0.051 0.000 2.072 1440 E HA -0.128 4.222 4.350 -0.001 0.000 0.191 1440 E C 2.186 178.740 176.600 -0.077 0.000 0.985 1440 E CA 1.171 57.546 56.400 -0.043 0.000 0.801 1440 E CB -0.696 28.998 29.700 -0.010 0.000 0.750 1440 E HN 0.590 nan 8.360 nan 0.000 0.452 1441 G N 1.301 110.031 108.800 -0.117 0.000 2.422 1441 G HA2 -0.169 3.791 3.960 -0.001 0.000 0.218 1441 G HA3 -0.169 3.791 3.960 -0.001 0.000 0.218 1441 G C 1.584 176.375 174.900 -0.182 0.000 1.140 1441 G CA 0.250 45.269 45.100 -0.135 0.000 0.775 1441 G HN 0.110 nan 8.290 nan 0.000 0.545 1442 I N 0.210 120.618 120.570 -0.270 0.000 2.233 1442 I HA 0.025 4.194 4.170 -0.001 0.000 0.243 1442 I C 1.678 177.717 176.117 -0.129 0.000 1.093 1442 I CA 1.028 62.182 61.300 -0.243 0.000 1.380 1442 I CB -1.119 36.694 38.000 -0.311 0.000 1.067 1442 I HN 0.301 nan 8.210 nan 0.000 0.413 1443 S N -1.114 114.526 115.700 -0.101 0.000 3.513 1443 S HA -0.107 4.363 4.470 -0.001 0.000 0.636 1443 S C 0.750 175.322 174.600 -0.046 0.000 2.452 1443 S CA 1.348 59.513 58.200 -0.059 0.000 2.644 1443 S CB -1.364 61.806 63.200 -0.050 0.000 0.331 1443 S HN 1.421 nan 8.310 nan 0.000 1.787 1444 G N 1.121 109.903 108.800 -0.031 0.000 2.578 1444 G HA2 -0.326 3.634 3.960 -0.001 0.000 0.275 1444 G HA3 -0.326 3.634 3.960 -0.001 0.000 0.275 1444 G C 0.342 175.233 174.900 -0.014 0.000 1.271 1444 G CA 1.639 46.726 45.100 -0.022 0.000 0.941 1444 G HN 1.880 nan 8.290 nan 0.000 0.564 1445 R N 0.401 120.895 120.500 -0.009 0.000 2.236 1445 R HA 0.227 4.567 4.340 -0.001 0.000 0.208 1445 R C 2.003 178.303 176.300 -0.001 0.000 1.036 1445 R CA 1.647 57.747 56.100 0.000 0.000 1.001 1445 R CB -0.202 30.102 30.300 0.006 0.000 0.896 1445 R HN 0.665 nan 8.270 nan 0.000 0.464 1446 E N 1.567 121.759 120.200 -0.013 0.000 2.204 1446 E HA -0.219 4.130 4.350 -0.001 0.000 0.194 1446 E C 1.810 178.405 176.600 -0.008 0.000 0.989 1446 E CA 1.434 57.824 56.400 -0.017 0.000 0.824 1446 E CB 0.063 29.741 29.700 -0.037 0.000 0.756 1446 E HN 0.596 nan 8.360 nan 0.000 0.477 1447 Q N 0.684 120.474 119.800 -0.017 0.000 2.230 1447 Q HA -0.135 4.205 4.340 -0.001 0.000 0.202 1447 Q C 1.985 178.008 176.000 0.038 0.000 0.963 1447 Q CA 0.950 56.748 55.803 -0.009 0.000 0.866 1447 Q CB -0.307 28.417 28.738 -0.024 0.000 0.931 1447 Q HN 0.207 nan 8.270 nan 0.000 0.452 1448 L N 0.347 121.595 121.223 0.041 0.000 2.109 1448 L HA 0.178 4.518 4.340 -0.001 0.000 0.207 1448 L C 2.245 179.183 176.870 0.114 0.000 1.086 1448 L CA 1.796 56.675 54.840 0.065 0.000 0.760 1448 L CB -0.987 41.099 42.059 0.045 0.000 0.910 1448 L HN 0.302 nan 8.230 nan 0.000 0.437 1449 A N -1.152 121.732 122.820 0.107 0.000 1.898 1449 A HA -0.126 4.194 4.320 -0.001 0.000 0.216 1449 A C 2.232 180.025 177.584 0.349 0.000 1.181 1449 A CA 1.942 54.085 52.037 0.177 0.000 0.620 1449 A CB -1.003 18.013 19.000 0.027 0.000 0.819 1449 A HN 0.266 nan 8.150 nan 0.000 0.442 1450 V N -0.177 119.873 119.914 0.228 0.000 2.427 1450 V HA -0.207 3.913 4.120 -0.001 0.000 0.248 1450 V C 2.618 178.872 176.094 0.265 0.000 1.051 1450 V CA 2.150 64.603 62.300 0.254 0.000 1.048 1450 V CB -0.774 31.157 31.823 0.181 0.000 0.666 1450 V HN 0.620 nan 8.190 nan 0.000 0.456 1451 R N 0.084 120.694 120.500 0.184 0.000 2.096 1451 R HA -0.129 4.211 4.340 -0.001 0.000 0.235 1451 R C 2.258 178.644 176.300 0.144 0.000 1.127 1451 R CA 1.546 57.731 56.100 0.142 0.000 0.968 1451 R CB -0.345 30.010 30.300 0.093 0.000 0.861 1451 R HN 0.503 nan 8.270 nan 0.000 0.440 1452 A N 0.030 122.960 122.820 0.183 0.000 1.929 1452 A HA -0.142 4.178 4.320 -0.001 0.000 0.216 1452 A C 1.895 179.549 177.584 0.117 0.000 1.176 1452 A CA 0.820 52.955 52.037 0.163 0.000 0.628 1452 A CB -0.633 18.505 19.000 0.231 0.000 0.816 1452 A HN 0.479 nan 8.150 nan 0.000 0.444 1453 F N 1.151 121.115 119.950 0.023 0.000 2.095 1453 F HA -0.151 4.376 4.527 -0.001 0.000 0.298 1453 F C 2.528 178.258 175.800 -0.116 0.000 1.104 1453 F CA 1.488 59.371 58.000 -0.195 0.000 1.232 1453 F CB -0.363 38.572 39.000 -0.109 0.000 0.987 1453 F HN 0.249 nan 8.300 nan 0.000 0.475 1454 A N -0.434 122.471 122.820 0.142 0.000 1.902 1454 A HA -0.241 4.079 4.320 -0.001 0.000 0.217 1454 A C 1.983 179.533 177.584 -0.056 0.000 1.181 1454 A CA 1.951 54.016 52.037 0.046 0.000 0.623 1454 A CB -1.175 17.896 19.000 0.118 0.000 0.818 1454 A HN 0.498 nan 8.150 nan 0.000 0.443 1455 D N 0.021 120.401 120.400 -0.032 0.000 2.123 1455 D HA -0.073 4.567 4.640 -0.001 0.000 0.196 1455 D C 2.044 178.280 176.300 -0.107 0.000 0.992 1455 D CA 1.621 55.592 54.000 -0.049 0.000 0.833 1455 D CB -0.248 40.544 40.800 -0.012 0.000 0.954 1455 D HN 0.333 nan 8.370 nan 0.000 0.455 1456 A N -0.117 122.596 122.820 -0.179 0.000 1.898 1456 A HA -0.087 4.232 4.320 -0.001 0.000 0.216 1456 A C 2.146 179.573 177.584 -0.263 0.000 1.181 1456 A CA 0.903 52.797 52.037 -0.237 0.000 0.620 1456 A CB -0.671 18.120 19.000 -0.349 0.000 0.819 1456 A HN 0.300 nan 8.150 nan 0.000 0.442 1457 L N 0.218 121.243 121.223 -0.330 0.000 2.191 1457 L HA -0.125 4.215 4.340 -0.001 0.000 0.212 1457 L C 2.140 178.910 176.870 -0.166 0.000 1.103 1457 L CA 1.723 56.398 54.840 -0.275 0.000 0.769 1457 L CB -0.800 41.085 42.059 -0.290 0.000 0.908 1457 L HN 0.482 nan 8.230 nan 0.000 0.438 1458 E N -1.374 118.745 120.200 -0.135 0.000 2.333 1458 E HA -0.179 4.171 4.350 -0.001 0.000 0.198 1458 E C 2.262 178.809 176.600 -0.090 0.000 1.007 1458 E CA 0.726 57.067 56.400 -0.098 0.000 0.845 1458 E CB -0.157 29.498 29.700 -0.074 0.000 0.766 1458 E HN 0.291 nan 8.360 nan 0.000 0.507 1459 V N 1.131 120.985 119.914 -0.101 0.000 2.720 1459 V HA -0.213 3.907 4.120 -0.001 0.000 0.256 1459 V C 1.718 177.765 176.094 -0.078 0.000 1.082 1459 V CA 1.089 63.338 62.300 -0.085 0.000 1.101 1459 V CB -0.205 31.563 31.823 -0.091 0.000 0.693 1459 V HN 0.258 nan 8.190 nan 0.000 0.479 1460 I N 0.601 121.120 120.570 -0.086 0.000 2.162 1460 I HA -0.034 4.135 4.170 -0.001 0.000 0.238 1460 I C 0.221 176.299 176.117 -0.065 0.000 1.076 1460 I CA 1.466 62.722 61.300 -0.074 0.000 1.353 1460 I CB -2.838 35.115 38.000 -0.078 0.000 1.063 1460 I HN 0.311 nan 8.210 nan 0.000 0.408 1461 P HA -0.171 nan 4.420 nan 0.000 0.216 1461 P C 1.797 179.066 177.300 -0.053 0.000 1.154 1461 P CA 1.754 64.818 63.100 -0.060 0.000 0.865 1461 P CB -0.159 31.500 31.700 -0.068 0.000 0.789 1462 R N -1.467 119.000 120.500 -0.054 0.000 2.075 1462 R HA -0.023 4.316 4.340 -0.001 0.000 0.232 1462 R C 2.033 178.305 176.300 -0.048 0.000 1.126 1462 R CA 1.718 57.789 56.100 -0.048 0.000 0.963 1462 R CB -1.006 29.266 30.300 -0.048 0.000 0.858 1462 R HN 0.199 nan 8.270 nan 0.000 0.435 1463 T N 1.084 115.607 114.554 -0.052 0.000 3.051 1463 T HA 0.131 4.481 4.350 -0.001 0.000 0.255 1463 T C 1.808 176.474 174.700 -0.055 0.000 1.085 1463 T CA 0.139 62.208 62.100 -0.052 0.000 1.109 1463 T CB 0.142 68.979 68.868 -0.052 0.000 0.921 1463 T HN 0.063 nan 8.240 nan 0.000 0.488 1464 L N 0.953 122.142 121.223 -0.057 0.000 2.043 1464 L HA -0.172 4.167 4.340 -0.001 0.000 0.212 1464 L C 2.824 179.649 176.870 -0.074 0.000 1.075 1464 L CA 1.641 56.443 54.840 -0.064 0.000 0.752 1464 L CB -0.444 41.582 42.059 -0.056 0.000 0.891 1464 L HN 0.258 nan 8.230 nan 0.000 0.432 1465 A N -1.252 121.530 122.820 -0.063 0.000 2.030 1465 A HA -0.120 4.200 4.320 -0.001 0.000 0.215 1465 A C 2.186 179.735 177.584 -0.058 0.000 1.164 1465 A CA 0.705 52.704 52.037 -0.063 0.000 0.697 1465 A CB -0.261 18.710 19.000 -0.049 0.000 0.827 1465 A HN 0.417 nan 8.150 nan 0.000 0.457 1466 E N 0.627 120.796 120.200 -0.051 0.000 2.070 1466 E HA -0.260 4.089 4.350 -0.001 0.000 0.197 1466 E C 1.373 177.943 176.600 -0.050 0.000 1.004 1466 E CA 1.625 57.997 56.400 -0.046 0.000 0.805 1466 E CB -0.130 29.544 29.700 -0.042 0.000 0.744 1466 E HN 0.540 nan 8.360 nan 0.000 0.451 1467 N N -0.037 118.628 118.700 -0.058 0.000 2.396 1467 N HA -0.073 4.667 4.740 -0.001 0.000 0.180 1467 N C 1.362 176.828 175.510 -0.074 0.000 1.028 1467 N CA 1.021 54.034 53.050 -0.061 0.000 0.893 1467 N CB -0.144 38.305 38.487 -0.064 0.000 0.967 1467 N HN 0.227 nan 8.380 nan 0.000 0.440 1468 A N 0.065 122.832 122.820 -0.088 0.000 2.119 1468 A HA 0.298 4.618 4.320 -0.001 0.000 0.216 1468 A C 1.467 179.010 177.584 -0.069 0.000 1.152 1468 A CA 1.055 53.031 52.037 -0.101 0.000 0.708 1468 A CB -0.385 18.539 19.000 -0.127 0.000 0.805 1468 A HN 0.306 nan 8.150 nan 0.000 0.460 1469 G N -1.333 107.434 108.800 -0.054 0.000 2.142 1469 G HA2 -0.179 3.780 3.960 -0.001 0.000 0.225 1469 G HA3 -0.179 3.780 3.960 -0.001 0.000 0.225 1469 G C -0.050 174.829 174.900 -0.034 0.000 1.015 1469 G CA 0.280 45.356 45.100 -0.039 0.000 0.716 1469 G HN 0.438 nan 8.290 nan 0.000 0.508 1470 L N -0.149 121.052 121.223 -0.038 0.000 2.387 1470 L HA 0.547 4.887 4.340 -0.001 0.000 0.266 1470 L C 0.358 177.212 176.870 -0.026 0.000 1.059 1470 L CA -1.096 53.726 54.840 -0.031 0.000 0.801 1470 L CB 0.911 42.949 42.059 -0.035 0.000 1.223 1470 L HN 0.098 nan 8.230 nan 0.000 0.456 1471 D N 0.722 121.110 120.400 -0.020 0.000 2.338 1471 D HA 0.199 4.838 4.640 -0.001 0.000 0.255 1471 D C 0.740 177.029 176.300 -0.019 0.000 1.237 1471 D CA -0.006 53.983 54.000 -0.017 0.000 0.883 1471 D CB 1.849 42.642 40.800 -0.012 0.000 1.087 1471 D HN 0.588 nan 8.370 nan 0.000 0.485 1472 A N 5.216 128.024 122.820 -0.021 0.000 1.978 1472 A HA -0.179 4.140 4.320 -0.001 0.000 0.220 1472 A C 2.064 179.638 177.584 -0.018 0.000 1.170 1472 A CA 0.891 52.914 52.037 -0.023 0.000 0.636 1472 A CB -0.328 18.657 19.000 -0.025 0.000 0.810 1472 A HN 0.700 nan 8.150 nan 0.000 0.448 1473 I N -0.534 120.028 120.570 -0.014 0.000 2.235 1473 I HA -0.153 4.017 4.170 -0.001 0.000 0.241 1473 I C 2.434 178.546 176.117 -0.008 0.000 1.085 1473 I CA 1.681 62.974 61.300 -0.011 0.000 1.378 1473 I CB -1.463 36.532 38.000 -0.008 0.000 1.076 1473 I HN 0.572 nan 8.210 nan 0.000 0.415 1474 E N 1.556 121.751 120.200 -0.007 0.000 2.051 1474 E HA -0.218 4.132 4.350 -0.001 0.000 0.192 1474 E C 2.336 178.934 176.600 -0.003 0.000 0.991 1474 E CA 1.634 58.031 56.400 -0.004 0.000 0.799 1474 E CB -0.094 29.604 29.700 -0.004 0.000 0.748 1474 E HN 0.591 nan 8.360 nan 0.000 0.449 1475 I N -0.892 119.674 120.570 -0.007 0.000 2.439 1475 I HA -0.128 4.041 4.170 -0.001 0.000 0.251 1475 I C 2.388 178.500 176.117 -0.007 0.000 1.139 1475 I CA 0.590 61.887 61.300 -0.006 0.000 1.438 1475 I CB -0.271 37.721 38.000 -0.013 0.000 1.085 1475 I HN 0.120 nan 8.210 nan 0.000 0.427 1476 L N 1.232 122.448 121.223 -0.011 0.000 2.046 1476 L HA -0.080 4.260 4.340 -0.001 0.000 0.208 1476 L C 2.342 179.210 176.870 -0.004 0.000 1.077 1476 L CA 1.772 56.605 54.840 -0.012 0.000 0.747 1476 L CB -0.478 41.572 42.059 -0.015 0.000 0.896 1476 L HN 0.119 nan 8.230 nan 0.000 0.432 1477 V N -0.522 119.393 119.914 0.000 0.000 2.302 1477 V HA -0.209 3.911 4.120 -0.001 0.000 0.243 1477 V C 2.521 178.622 176.094 0.012 0.000 1.036 1477 V CA 1.885 64.189 62.300 0.006 0.000 1.020 1477 V CB -0.568 31.258 31.823 0.005 0.000 0.657 1477 V HN 0.401 nan 8.190 nan 0.000 0.453 1478 K N -0.257 120.150 120.400 0.011 0.000 2.103 1478 K HA -0.063 4.257 4.320 -0.001 0.000 0.204 1478 K C 2.046 178.660 176.600 0.025 0.000 1.052 1478 K CA 1.104 57.401 56.287 0.016 0.000 0.945 1478 K CB -0.224 32.284 32.500 0.012 0.000 0.722 1478 K HN 0.300 nan 8.250 nan 0.000 0.443 1479 V N 1.307 121.235 119.914 0.022 0.000 2.379 1479 V HA -0.181 3.939 4.120 -0.001 0.000 0.245 1479 V C 2.381 178.508 176.094 0.054 0.000 1.044 1479 V CA 1.432 63.752 62.300 0.034 0.000 1.036 1479 V CB -0.445 31.387 31.823 0.015 0.000 0.664 1479 V HN 0.296 nan 8.190 nan 0.000 0.453 1480 R N 0.544 121.064 120.500 0.034 0.000 2.083 1480 R HA -0.212 4.128 4.340 -0.001 0.000 0.237 1480 R C 2.265 178.611 176.300 0.077 0.000 1.137 1480 R CA 1.971 58.099 56.100 0.046 0.000 0.951 1480 R CB -0.471 29.841 30.300 0.021 0.000 0.851 1480 R HN 0.474 nan 8.270 nan 0.000 0.434 1481 A N 0.537 123.388 122.820 0.052 0.000 1.898 1481 A HA -0.053 4.267 4.320 -0.001 0.000 0.216 1481 A C 2.361 179.974 177.584 0.048 0.000 1.181 1481 A CA 1.574 53.638 52.037 0.044 0.000 0.620 1481 A CB -0.742 18.275 19.000 0.028 0.000 0.819 1481 A HN 0.562 nan 8.150 nan 0.000 0.442 1482 A N -0.939 121.913 122.820 0.053 0.000 1.902 1482 A HA -0.167 4.152 4.320 -0.001 0.000 0.217 1482 A C 2.025 179.642 177.584 0.055 0.000 1.181 1482 A CA 2.114 54.179 52.037 0.047 0.000 0.623 1482 A CB -0.851 18.177 19.000 0.048 0.000 0.818 1482 A HN 0.780 nan 8.150 nan 0.000 0.443 1483 H N -0.266 118.808 119.070 0.006 0.000 2.299 1483 H HA 0.090 4.646 4.556 -0.000 0.000 0.302 1483 H C 2.211 177.543 175.328 0.007 0.000 1.078 1483 H CA 1.988 58.039 56.048 0.006 0.000 1.323 1483 H CB -0.263 29.502 29.762 0.005 0.000 1.381 1483 H HN 0.371 nan 8.280 nan 0.000 0.498 1484 A N -0.595 122.278 122.820 0.088 0.000 1.940 1484 A HA -0.196 4.123 4.320 -0.001 0.000 0.219 1484 A C 2.578 180.145 177.584 -0.028 0.000 1.176 1484 A CA 2.079 54.139 52.037 0.038 0.000 0.631 1484 A CB -1.062 17.984 19.000 0.077 0.000 0.814 1484 A HN 0.521 nan 8.150 nan 0.000 0.446 1485 S N -0.615 115.073 115.700 -0.021 0.000 2.371 1485 S HA -0.077 4.393 4.470 -0.001 0.000 0.219 1485 S C 1.835 176.407 174.600 -0.046 0.000 1.040 1485 S CA 1.038 59.224 58.200 -0.023 0.000 0.958 1485 S CB -0.380 62.817 63.200 -0.006 0.000 0.860 1485 S HN 0.602 nan 8.310 nan 0.000 0.487 1486 N N 1.055 119.722 118.700 -0.055 0.000 2.409 1486 N HA 0.241 4.981 4.740 -0.001 0.000 0.179 1486 N C 1.054 176.505 175.510 -0.098 0.000 1.032 1486 N CA 0.976 53.991 53.050 -0.058 0.000 0.898 1486 N CB 0.156 38.622 38.487 -0.034 0.000 0.971 1486 N HN 0.609 nan 8.380 nan 0.000 0.441 1487 G N 0.600 109.287 108.800 -0.189 0.000 2.342 1487 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.220 1487 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.220 1487 G C 0.149 174.798 174.900 -0.419 0.000 1.243 1487 G CA 0.140 45.088 45.100 -0.253 0.000 1.083 1487 G HN 0.271 nan 8.290 nan 0.000 0.500 1488 N N 0.139 118.700 118.700 -0.232 0.000 2.436 1488 N HA -0.008 4.732 4.740 -0.001 0.000 0.178 1488 N C 1.621 177.148 175.510 0.028 0.000 1.026 1488 N CA 1.426 54.434 53.050 -0.070 0.000 0.880 1488 N CB -0.139 38.365 38.487 0.027 0.000 1.061 1488 N HN 0.837 nan 8.380 nan 0.000 0.434 1489 K N -0.222 120.176 120.400 -0.003 0.000 2.387 1489 K HA 0.325 4.644 4.320 -0.001 0.000 0.198 1489 K C -0.152 176.451 176.600 0.005 0.000 1.022 1489 K CA -0.159 56.134 56.287 0.011 0.000 1.128 1489 K CB 0.039 32.542 32.500 0.005 0.000 0.853 1489 K HN 0.034 nan 8.250 nan 0.000 0.523 1490 C N 1.213 120.508 119.300 -0.008 0.000 2.955 1490 C HA 0.690 5.150 4.460 -0.001 0.000 0.229 1490 C C 0.383 175.374 174.990 0.003 0.000 1.842 1490 C CA -0.489 58.525 59.018 -0.008 0.000 1.539 1490 C CB -0.684 27.040 27.740 -0.027 0.000 2.869 1490 C HN 0.654 nan 8.230 nan 0.000 0.503 1491 A N 0.042 122.885 122.820 0.039 0.000 5.810 1491 A HA 0.946 5.266 4.320 -0.001 0.000 0.151 1491 A C 0.148 177.780 177.584 0.079 0.000 0.903 1491 A CA 0.405 52.483 52.037 0.070 0.000 1.207 1491 A CB -0.378 18.682 19.000 0.101 0.000 2.339 1491 A HN 1.963 nan 8.150 nan 0.000 1.102 1492 G N -1.856 107.006 108.800 0.103 0.000 2.787 1492 G HA2 0.367 4.326 3.960 -0.001 0.000 0.685 1492 G HA3 0.367 4.326 3.960 -0.001 0.000 0.685 1492 G C -0.755 174.173 174.900 0.047 0.000 1.437 1492 G CA -0.011 45.129 45.100 0.066 0.000 0.872 1492 G HN 2.037 nan 8.290 nan 0.000 0.566 1493 L N 0.696 121.937 121.223 0.030 0.000 2.289 1493 L HA 0.743 5.083 4.340 -0.001 0.000 0.285 1493 L C 0.199 177.091 176.870 0.037 0.000 1.049 1493 L CA -0.996 53.858 54.840 0.024 0.000 0.804 1493 L CB 1.538 43.599 42.059 0.003 0.000 1.195 1493 L HN 0.748 nan 8.230 nan 0.000 0.428 1494 N N 3.001 121.732 118.700 0.051 0.000 2.501 1494 N HA 0.222 4.962 4.740 -0.001 0.000 0.245 1494 N C 0.806 176.354 175.510 0.064 0.000 0.974 1494 N CA -0.272 52.834 53.050 0.094 0.000 0.941 1494 N CB 1.201 39.758 38.487 0.117 0.000 1.122 1494 N HN 0.510 nan 8.380 nan 0.000 0.507 1495 V N 1.623 121.538 119.914 0.002 0.000 2.913 1495 V HA -0.011 4.108 4.120 -0.001 0.000 0.260 1495 V C 1.404 177.405 176.094 -0.154 0.000 1.098 1495 V CA 1.233 63.464 62.300 -0.116 0.000 1.121 1495 V CB -1.200 30.487 31.823 -0.227 0.000 0.714 1495 V HN 0.473 nan 8.190 nan 0.000 0.487 1496 F N 2.524 122.473 119.950 -0.003 0.000 2.259 1496 F HA -0.042 4.485 4.527 -0.000 0.000 0.298 1496 F C 2.675 178.475 175.800 -0.001 0.000 1.088 1496 F CA 1.850 59.849 58.000 -0.002 0.000 1.358 1496 F CB -0.366 38.633 39.000 -0.001 0.000 1.040 1496 F HN 0.380 nan 8.300 nan 0.000 0.505 1497 T N -4.042 110.615 114.554 0.171 0.000 3.022 1497 T HA 0.361 4.711 4.350 -0.001 0.000 0.250 1497 T C 1.547 176.276 174.700 0.049 0.000 1.060 1497 T CA 0.423 62.578 62.100 0.093 0.000 1.013 1497 T CB 0.269 69.183 68.868 0.077 0.000 0.982 1497 T HN 0.355 nan 8.240 nan 0.000 0.508 1498 G N 1.086 109.906 108.800 0.033 0.000 2.225 1498 G HA2 0.230 4.190 3.960 -0.001 0.000 0.264 1498 G HA3 0.230 4.190 3.960 -0.001 0.000 0.264 1498 G C 0.099 175.006 174.900 0.010 0.000 1.060 1498 G CA -0.182 44.922 45.100 0.006 0.000 0.833 1498 G HN 1.435 nan 8.290 nan 0.000 0.498 1499 A N -1.840 120.992 122.820 0.021 0.000 2.608 1499 A HA 0.869 5.189 4.320 -0.001 0.000 0.292 1499 A C 0.032 177.632 177.584 0.027 0.000 1.066 1499 A CA 0.149 52.198 52.037 0.020 0.000 0.676 1499 A CB 1.350 20.363 19.000 0.022 0.000 1.277 1499 A HN 1.779 nan 8.150 nan 0.000 0.413 1500 V N 1.618 121.546 119.914 0.024 0.000 2.673 1500 V HA 0.394 4.514 4.120 -0.001 0.000 0.303 1500 V C 0.010 176.123 176.094 0.032 0.000 1.046 1500 V CA 0.964 63.282 62.300 0.029 0.000 1.126 1500 V CB 0.479 32.319 31.823 0.029 0.000 0.934 1500 V HN 0.917 nan 8.190 nan 0.000 0.487 1501 E N 3.805 124.028 120.200 0.038 0.000 2.359 1501 E HA 0.388 4.738 4.350 -0.001 0.000 0.223 1501 E C -1.406 175.214 176.600 0.034 0.000 0.877 1501 E CA -0.679 55.742 56.400 0.035 0.000 0.887 1501 E CB 0.726 30.451 29.700 0.041 0.000 1.890 1501 E HN 0.704 nan 8.360 nan 0.000 0.419 1502 D N 1.262 121.679 120.400 0.028 0.000 2.472 1502 D HA 0.180 4.820 4.640 -0.001 0.000 0.234 1502 D C 0.840 177.156 176.300 0.027 0.000 1.088 1502 D CA -0.279 53.736 54.000 0.025 0.000 0.882 1502 D CB 0.646 41.455 40.800 0.015 0.000 1.037 1502 D HN 0.188 nan 8.370 nan 0.000 0.520 1503 M N 1.662 121.283 119.600 0.036 0.000 2.159 1503 M HA -0.143 4.337 4.480 -0.001 0.000 0.263 1503 M C 2.321 178.636 176.300 0.025 0.000 1.063 1503 M CA 0.784 56.106 55.300 0.037 0.000 1.110 1503 M CB -1.144 31.483 32.600 0.045 0.000 1.374 1503 M HN 0.530 nan 8.290 nan 0.000 0.411 1504 C N 0.642 119.955 119.300 0.022 0.000 2.432 1504 C HA -0.170 4.290 4.460 -0.001 0.000 0.277 1504 C C 2.705 177.700 174.990 0.007 0.000 1.249 1504 C CA 1.409 60.436 59.018 0.014 0.000 1.725 1504 C CB -0.922 26.826 27.740 0.014 0.000 2.028 1504 C HN 0.636 nan 8.230 nan 0.000 0.477 1505 E N 0.029 120.233 120.200 0.007 0.000 2.110 1505 E HA -0.173 4.176 4.350 -0.001 0.000 0.193 1505 E C 1.378 177.976 176.600 -0.003 0.000 0.988 1505 E CA 1.165 57.566 56.400 0.001 0.000 0.804 1505 E CB -0.182 29.519 29.700 0.002 0.000 0.745 1505 E HN 0.654 nan 8.360 nan 0.000 0.458 1506 N N -0.373 118.327 118.700 -0.001 0.000 2.398 1506 N HA 0.004 4.743 4.740 -0.001 0.000 0.188 1506 N C 0.758 176.257 175.510 -0.019 0.000 1.122 1506 N CA 0.905 53.948 53.050 -0.012 0.000 0.866 1506 N CB 0.979 39.463 38.487 -0.005 0.000 0.970 1506 N HN 0.332 nan 8.380 nan 0.000 0.462 1507 G N 0.470 109.265 108.800 -0.009 0.000 2.153 1507 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.252 1507 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.252 1507 G C 0.048 174.947 174.900 -0.002 0.000 0.994 1507 G CA 0.097 45.192 45.100 -0.009 0.000 0.698 1507 G HN 0.205 nan 8.290 nan 0.000 0.521 1508 V N 1.491 121.411 119.914 0.010 0.000 2.222 1508 V HA 0.496 4.615 4.120 -0.001 0.000 0.253 1508 V C 0.766 176.877 176.094 0.029 0.000 1.210 1508 V CA 0.161 62.477 62.300 0.028 0.000 1.079 1508 V CB 0.413 32.267 31.823 0.052 0.000 1.265 1508 V HN 1.065 nan 8.190 nan 0.000 0.494 1509 V N 1.483 121.410 119.914 0.021 0.000 3.007 1509 V HA 0.894 5.013 4.120 -0.001 0.000 0.311 1509 V C -0.717 175.387 176.094 0.017 0.000 1.120 1509 V CA -0.759 61.553 62.300 0.019 0.000 0.980 1509 V CB 2.560 34.392 31.823 0.015 0.000 1.033 1509 V HN 0.637 nan 8.190 nan 0.000 0.429 1510 E N 1.910 122.119 120.200 0.016 0.000 2.369 1510 E HA 0.660 5.009 4.350 -0.001 0.000 0.270 1510 E C -3.241 173.365 176.600 0.010 0.000 0.909 1510 E CA -2.406 54.002 56.400 0.013 0.000 0.775 1510 E CB 2.154 31.861 29.700 0.012 0.000 1.270 1510 E HN 0.467 nan 8.360 nan 0.000 0.445 1511 P HA -0.007 nan 4.420 nan 0.000 0.268 1511 P C 0.865 178.169 177.300 0.006 0.000 1.205 1511 P CA -0.349 62.755 63.100 0.007 0.000 0.771 1511 P CB 0.478 32.181 31.700 0.006 0.000 0.858 1512 L N 4.533 125.760 121.223 0.006 0.000 2.042 1512 L HA -0.194 4.146 4.340 -0.001 0.000 0.210 1512 L C 2.200 179.072 176.870 0.005 0.000 1.076 1512 L CA 1.894 56.738 54.840 0.006 0.000 0.749 1512 L CB -0.698 41.364 42.059 0.006 0.000 0.893 1512 L HN 0.272 nan 8.230 nan 0.000 0.432 1513 R N -1.198 119.305 120.500 0.004 0.000 2.117 1513 R HA -0.164 4.176 4.340 -0.001 0.000 0.243 1513 R C 2.117 178.419 176.300 0.003 0.000 1.143 1513 R CA 1.615 57.717 56.100 0.004 0.000 0.968 1513 R CB -0.725 29.577 30.300 0.003 0.000 0.863 1513 R HN 0.346 nan 8.270 nan 0.000 0.444 1514 V N 1.323 121.239 119.914 0.003 0.000 2.261 1514 V HA -0.240 3.880 4.120 -0.001 0.000 0.246 1514 V C 2.224 178.319 176.094 0.000 0.000 1.047 1514 V CA 1.685 63.986 62.300 0.002 0.000 1.015 1514 V CB -0.298 31.526 31.823 0.002 0.000 0.642 1514 V HN 0.217 nan 8.190 nan 0.000 0.446 1515 K N -0.344 120.056 120.400 0.000 0.000 2.167 1515 K HA -0.009 4.310 4.320 -0.001 0.000 0.203 1515 K C 2.175 178.775 176.600 0.001 0.000 1.052 1515 K CA 1.262 57.548 56.287 -0.003 0.000 0.956 1515 K CB -0.560 31.938 32.500 -0.003 0.000 0.735 1515 K HN 0.481 nan 8.250 nan 0.000 0.451 1516 T N 1.256 115.813 114.554 0.004 0.000 2.812 1516 T HA -0.128 4.222 4.350 -0.001 0.000 0.264 1516 T C 1.900 176.606 174.700 0.010 0.000 1.042 1516 T CA 1.213 63.318 62.100 0.007 0.000 1.140 1516 T CB -0.005 68.866 68.868 0.005 0.000 0.870 1516 T HN 0.129 nan 8.240 nan 0.000 0.445 1517 Q N 1.253 121.058 119.800 0.007 0.000 2.123 1517 Q HA 0.158 4.498 4.340 -0.001 0.000 0.199 1517 Q C 2.269 178.274 176.000 0.009 0.000 0.966 1517 Q CA 1.503 57.311 55.803 0.008 0.000 0.845 1517 Q CB -0.620 28.122 28.738 0.006 0.000 0.907 1517 Q HN 0.476 nan 8.270 nan 0.000 0.439 1518 A N 0.508 123.330 122.820 0.003 0.000 1.858 1518 A HA -0.160 4.160 4.320 -0.001 0.000 0.216 1518 A C 1.934 179.518 177.584 -0.000 0.000 1.190 1518 A CA 1.616 53.651 52.037 -0.003 0.000 0.617 1518 A CB -0.714 18.279 19.000 -0.011 0.000 0.827 1518 A HN 0.444 nan 8.150 nan 0.000 0.443 1519 I N -0.119 120.455 120.570 0.008 0.000 2.252 1519 I HA -0.223 3.946 4.170 -0.001 0.000 0.245 1519 I C 2.649 178.807 176.117 0.068 0.000 1.102 1519 I CA 1.772 63.090 61.300 0.030 0.000 1.385 1519 I CB -1.482 36.548 38.000 0.050 0.000 1.064 1519 I HN 0.595 nan 8.210 nan 0.000 0.414 1520 Q N 0.880 120.710 119.800 0.051 0.000 2.002 1520 Q HA -0.205 4.135 4.340 -0.001 0.000 0.204 1520 Q C 2.385 178.414 176.000 0.048 0.000 0.988 1520 Q CA 2.725 58.558 55.803 0.049 0.000 0.843 1520 Q CB 0.091 28.846 28.738 0.027 0.000 0.908 1520 Q HN 0.360 nan 8.270 nan 0.000 0.420 1521 S N 0.288 116.007 115.700 0.032 0.000 2.368 1521 S HA -0.102 4.368 4.470 -0.001 0.000 0.224 1521 S C 1.938 176.556 174.600 0.032 0.000 1.029 1521 S CA 0.884 59.101 58.200 0.028 0.000 0.988 1521 S CB -0.340 62.870 63.200 0.017 0.000 0.838 1521 S HN 0.571 nan 8.310 nan 0.000 0.462 1522 A N 1.672 124.507 122.820 0.025 0.000 1.877 1522 A HA 0.078 4.398 4.320 -0.001 0.000 0.216 1522 A C 2.359 179.967 177.584 0.041 0.000 1.186 1522 A CA 1.756 53.801 52.037 0.013 0.000 0.620 1522 A CB -1.128 17.861 19.000 -0.018 0.000 0.822 1522 A HN 0.516 nan 8.150 nan 0.000 0.443 1523 A N -0.589 122.284 122.820 0.089 0.000 1.930 1523 A HA -0.118 4.202 4.320 -0.001 0.000 0.217 1523 A C 1.976 179.652 177.584 0.153 0.000 1.175 1523 A CA 2.110 54.257 52.037 0.183 0.000 0.627 1523 A CB -0.419 18.775 19.000 0.323 0.000 0.815 1523 A HN 0.543 nan 8.150 nan 0.000 0.443 1524 E N -0.153 120.107 120.200 0.101 0.000 2.072 1524 E HA -0.111 4.238 4.350 -0.001 0.000 0.190 1524 E C 2.221 178.863 176.600 0.070 0.000 0.982 1524 E CA 1.448 57.895 56.400 0.079 0.000 0.803 1524 E CB -0.341 29.390 29.700 0.053 0.000 0.755 1524 E HN 0.461 nan 8.360 nan 0.000 0.453 1525 S N -1.277 114.457 115.700 0.057 0.000 2.383 1525 S HA -0.112 4.358 4.470 -0.001 0.000 0.227 1525 S C 1.885 176.517 174.600 0.054 0.000 1.026 1525 S CA 1.658 59.885 58.200 0.044 0.000 0.981 1525 S CB -0.543 62.674 63.200 0.029 0.000 0.818 1525 S HN 0.407 nan 8.310 nan 0.000 0.472 1526 T N 1.731 116.328 114.554 0.071 0.000 2.652 1526 T HA -0.124 4.225 4.350 -0.001 0.000 0.267 1526 T C 1.761 176.541 174.700 0.133 0.000 1.039 1526 T CA 1.649 63.806 62.100 0.094 0.000 1.153 1526 T CB -0.481 68.451 68.868 0.107 0.000 0.863 1526 T HN 0.587 nan 8.240 nan 0.000 0.428 1527 E N 0.582 120.882 120.200 0.166 0.000 2.085 1527 E HA -0.172 4.178 4.350 -0.001 0.000 0.194 1527 E C 2.253 178.899 176.600 0.077 0.000 0.994 1527 E CA 1.067 57.552 56.400 0.142 0.000 0.801 1527 E CB -0.234 29.551 29.700 0.141 0.000 0.743 1527 E HN 0.458 nan 8.360 nan 0.000 0.453 1528 M N 0.240 119.878 119.600 0.064 0.000 2.082 1528 M HA -0.242 4.237 4.480 -0.001 0.000 0.258 1528 M C 1.951 178.272 176.300 0.035 0.000 1.069 1528 M CA 1.423 56.748 55.300 0.043 0.000 1.102 1528 M CB -0.050 32.572 32.600 0.037 0.000 1.336 1528 M HN 0.178 nan 8.290 nan 0.000 0.404 1529 L N 0.392 121.637 121.223 0.036 0.000 2.083 1529 L HA -0.155 4.185 4.340 -0.001 0.000 0.209 1529 L C 2.143 179.025 176.870 0.019 0.000 1.083 1529 L CA 1.656 56.510 54.840 0.022 0.000 0.752 1529 L CB -0.920 41.150 42.059 0.017 0.000 0.899 1529 L HN 0.402 nan 8.230 nan 0.000 0.433 1530 L N -1.585 119.658 121.223 0.034 0.000 2.395 1530 L HA -0.099 4.241 4.340 -0.001 0.000 0.218 1530 L C 2.490 179.364 176.870 0.008 0.000 1.130 1530 L CA 0.430 55.281 54.840 0.019 0.000 0.826 1530 L CB -0.361 41.714 42.059 0.028 0.000 0.941 1530 L HN 0.206 nan 8.230 nan 0.000 0.451 1531 R N 0.014 120.525 120.500 0.018 0.000 2.115 1531 R HA -0.026 4.314 4.340 -0.001 0.000 0.230 1531 R C 0.273 176.583 176.300 0.016 0.000 1.111 1531 R CA 0.617 56.727 56.100 0.017 0.000 0.976 1531 R CB -0.149 30.165 30.300 0.023 0.000 0.870 1531 R HN 0.140 nan 8.270 nan 0.000 0.445 1532 I N 2.166 122.745 120.570 0.015 0.000 2.496 1532 I HA -0.063 4.107 4.170 -0.001 0.000 0.285 1532 I C 0.658 176.784 176.117 0.015 0.000 1.080 1532 I CA 0.241 61.551 61.300 0.018 0.000 1.404 1532 I CB 1.157 39.168 38.000 0.019 0.000 1.403 1532 I HN 0.140 nan 8.210 nan 0.000 0.539 1533 D N 2.271 122.683 120.400 0.020 0.000 2.469 1533 D HA 0.175 4.815 4.640 -0.001 0.000 0.213 1533 D C -0.310 176.011 176.300 0.035 0.000 1.135 1533 D CA -0.006 54.006 54.000 0.019 0.000 0.834 1533 D CB 0.320 41.128 40.800 0.013 0.000 1.009 1533 D HN 0.359 nan 8.370 nan 0.000 0.507 1534 D N -0.284 120.143 120.400 0.044 0.000 2.812 1534 D HA 0.218 4.858 4.640 -0.001 0.000 0.210 1534 D C -1.672 174.666 176.300 0.064 0.000 1.260 1534 D CA -0.513 53.521 54.000 0.056 0.000 0.817 1534 D CB 2.194 43.018 40.800 0.040 0.000 1.694 1534 D HN -0.183 nan 8.370 nan 0.000 0.530 1535 V N 4.070 124.040 119.914 0.094 0.000 2.384 1535 V HA 0.544 4.663 4.120 -0.001 0.000 0.287 1535 V C 0.043 176.185 176.094 0.079 0.000 1.020 1535 V CA -0.588 61.772 62.300 0.100 0.000 0.850 1535 V CB 1.216 33.138 31.823 0.166 0.000 0.987 1535 V HN 0.415 nan 8.190 nan 0.000 0.436 1536 I N 4.510 125.114 120.570 0.056 0.000 2.355 1536 I HA 0.671 4.841 4.170 -0.001 0.000 0.288 1536 I C 0.431 176.571 176.117 0.038 0.000 0.999 1536 I CA -0.107 61.217 61.300 0.040 0.000 1.163 1536 I CB 1.747 39.764 38.000 0.028 0.000 1.316 1536 I HN 0.652 nan 8.210 nan 0.000 0.454 1537 A N 5.114 127.955 122.820 0.035 0.000 2.276 1537 A HA 0.884 5.203 4.320 -0.001 0.000 0.316 1537 A C 0.167 177.762 177.584 0.018 0.000 1.229 1537 A CA -0.568 51.486 52.037 0.029 0.000 0.851 1537 A CB 0.694 19.714 19.000 0.034 0.000 1.165 1537 A HN 0.780 nan 8.150 nan 0.000 0.513 1538 A N 1.972 124.801 122.820 0.015 0.000 2.371 1538 A HA 0.474 4.794 4.320 -0.001 0.000 0.257 1538 A C 0.593 178.182 177.584 0.008 0.000 1.089 1538 A CA -0.156 51.887 52.037 0.010 0.000 0.794 1538 A CB 0.086 19.092 19.000 0.010 0.000 1.029 1538 A HN 0.951 nan 8.150 nan 0.000 0.488 1539 E N 0.000 120.203 120.200 0.005 0.000 2.725 1539 E HA 0.000 4.350 4.350 -0.001 0.000 0.291 1539 E CA 0.000 56.402 56.400 0.003 0.000 0.976 1539 E CB 0.000 29.701 29.700 0.002 0.000 0.812 1539 E HN 0.000 nan 8.360 nan 0.000 0.440