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 3izj_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 0.000 176.090 176.094 -0.007 0.000 1.182 1027 V CA 0.000 62.296 62.300 -0.007 0.000 1.235 1027 V CB 0.000 31.819 31.823 -0.006 0.000 1.184 1028 L N 2.642 123.859 121.223 -0.010 0.000 2.375 1028 L HA 0.475 4.815 4.340 0.000 0.000 0.271 1028 L C -2.075 174.789 176.870 -0.011 0.000 1.107 1028 L CA -1.503 53.331 54.840 -0.010 0.000 0.806 1028 L CB 0.354 42.404 42.059 -0.015 0.000 1.146 1028 L HN 0.137 nan 8.230 nan 0.000 0.447 1029 P HA 0.028 nan 4.420 nan 0.000 0.265 1029 P C -0.944 176.349 177.300 -0.012 0.000 1.187 1029 P CA -0.198 62.897 63.100 -0.008 0.000 0.766 1029 P CB 0.369 32.066 31.700 -0.004 0.000 0.820 1030 E N 2.813 123.006 120.200 -0.011 0.000 2.417 1030 E HA 0.075 4.425 4.350 0.000 0.000 0.261 1030 E C 0.587 177.179 176.600 -0.013 0.000 1.000 1030 E CA 0.593 56.984 56.400 -0.014 0.000 0.919 1030 E CB -0.050 29.643 29.700 -0.012 0.000 0.955 1030 E HN 0.347 nan 8.360 nan 0.000 0.455 1031 N N 0.594 119.283 118.700 -0.019 0.000 2.990 1031 N HA -0.178 4.563 4.740 0.000 0.000 0.163 1031 N C -0.214 175.284 175.510 -0.020 0.000 1.452 1031 N CA 0.524 53.564 53.050 -0.017 0.000 1.624 1031 N CB -1.038 37.443 38.487 -0.009 0.000 1.088 1031 N HN 0.552 nan 8.380 nan 0.000 0.695 1032 M N 3.013 122.600 119.600 -0.020 0.000 2.248 1032 M HA 0.045 4.525 4.480 0.000 0.000 0.345 1032 M C 0.327 176.598 176.300 -0.048 0.000 1.243 1032 M CA 0.413 55.700 55.300 -0.021 0.000 1.090 1032 M CB 0.458 33.049 32.600 -0.015 0.000 1.683 1032 M HN 0.100 nan 8.290 nan 0.000 0.450 1033 K N 5.163 125.530 120.400 -0.056 0.000 2.164 1033 K HA 0.599 4.919 4.320 0.000 0.000 0.258 1033 K C -1.123 175.372 176.600 -0.174 0.000 0.951 1033 K CA -0.958 55.245 56.287 -0.140 0.000 0.844 1033 K CB 2.026 34.447 32.500 -0.132 0.000 1.099 1033 K HN 0.792 nan 8.250 nan 0.000 0.435 1034 R N 2.652 122.962 120.500 -0.316 0.000 2.673 1034 R HA 0.306 4.646 4.340 0.000 0.000 0.281 1034 R C -1.656 174.363 176.300 -0.467 0.000 0.991 1034 R CA -0.670 55.279 56.100 -0.251 0.000 0.896 1034 R CB 1.318 31.552 30.300 -0.111 0.000 1.201 1034 R HN 0.735 nan 8.270 nan 0.000 0.457 1035 Y N 4.270 124.555 120.300 -0.026 0.000 2.429 1035 Y HA 0.546 5.096 4.550 0.000 0.000 0.342 1035 Y C 0.377 176.260 175.900 -0.028 0.000 1.004 1035 Y CA -0.875 57.205 58.100 -0.033 0.000 1.075 1035 Y CB 2.127 40.558 38.460 -0.048 0.000 1.214 1035 Y HN 0.389 nan 8.280 nan 0.000 0.455 1036 M N 1.083 120.746 119.600 0.105 0.000 2.465 1036 M HA 0.772 5.252 4.480 0.000 0.000 0.284 1036 M C 0.044 176.363 176.300 0.031 0.000 1.212 1036 M CA -0.297 55.032 55.300 0.048 0.000 0.910 1036 M CB 1.275 33.884 32.600 0.015 0.000 1.725 1036 M HN 0.835 nan 8.290 nan 0.000 0.477 1037 G N 3.240 112.046 108.800 0.011 0.000 2.591 1037 G HA2 -0.333 3.627 3.960 0.000 0.000 0.298 1037 G HA3 -0.333 3.627 3.960 0.000 0.000 0.298 1037 G C 0.563 175.457 174.900 -0.010 0.000 1.195 1037 G CA 0.829 45.923 45.100 -0.009 0.000 0.989 1037 G HN 0.944 nan 8.290 nan 0.000 0.551 1038 R N 0.751 121.243 120.500 -0.013 0.000 2.237 1038 R HA 0.050 4.390 4.340 0.000 0.000 0.219 1038 R C 1.962 178.264 176.300 0.004 0.000 1.080 1038 R CA 1.258 57.350 56.100 -0.014 0.000 0.995 1038 R CB -0.197 30.092 30.300 -0.017 0.000 0.875 1038 R HN 0.500 nan 8.270 nan 0.000 0.462 1039 D N 0.590 121.009 120.400 0.030 0.000 2.162 1039 D HA -0.040 4.601 4.640 0.000 0.000 0.203 1039 D C 1.801 178.155 176.300 0.090 0.000 0.967 1039 D CA 1.208 55.255 54.000 0.078 0.000 0.840 1039 D CB -0.119 40.750 40.800 0.115 0.000 0.972 1039 D HN 0.182 nan 8.370 nan 0.000 0.482 1040 A N 0.925 123.794 122.820 0.081 0.000 1.933 1040 A HA -0.184 4.136 4.320 0.000 0.000 0.218 1040 A C 2.077 179.630 177.584 -0.051 0.000 1.175 1040 A CA 1.199 53.259 52.037 0.039 0.000 0.628 1040 A CB -0.318 18.712 19.000 0.049 0.000 0.814 1040 A HN 0.083 nan 8.150 nan 0.000 0.444 1041 Q N -0.807 118.972 119.800 -0.035 0.000 2.123 1041 Q HA -0.135 4.205 4.340 0.000 0.000 0.199 1041 Q C 2.216 178.181 176.000 -0.059 0.000 0.966 1041 Q CA 1.551 57.325 55.803 -0.047 0.000 0.845 1041 Q CB -0.384 28.332 28.738 -0.038 0.000 0.907 1041 Q HN 0.628 nan 8.270 nan 0.000 0.439 1042 R N 1.034 121.503 120.500 -0.051 0.000 2.083 1042 R HA -0.079 4.261 4.340 0.000 0.000 0.237 1042 R C 2.097 178.329 176.300 -0.113 0.000 1.137 1042 R CA 1.487 57.554 56.100 -0.055 0.000 0.951 1042 R CB -0.599 29.687 30.300 -0.023 0.000 0.851 1042 R HN 0.181 nan 8.270 nan 0.000 0.434 1043 M N 0.451 119.928 119.600 -0.206 0.000 2.132 1043 M HA -0.119 4.361 4.480 0.000 0.000 0.263 1043 M C 0.985 177.081 176.300 -0.340 0.000 1.065 1043 M CA 1.794 56.852 55.300 -0.403 0.000 1.122 1043 M CB -0.702 31.402 32.600 -0.827 0.000 1.365 1043 M HN 0.154 nan 8.290 nan 0.000 0.411 1044 N N 0.994 119.551 118.700 -0.239 0.000 2.166 1044 N HA -0.110 4.630 4.740 0.000 0.000 0.186 1044 N C 1.739 177.203 175.510 -0.078 0.000 1.019 1044 N CA 1.333 54.296 53.050 -0.145 0.000 0.856 1044 N CB -0.398 38.031 38.487 -0.096 0.000 0.993 1044 N HN 0.359 nan 8.380 nan 0.000 0.426 1045 I N 1.024 121.555 120.570 -0.065 0.000 2.252 1045 I HA -0.134 4.036 4.170 0.000 0.000 0.245 1045 I C 2.191 178.296 176.117 -0.020 0.000 1.102 1045 I CA 0.681 61.965 61.300 -0.027 0.000 1.385 1045 I CB -1.036 36.953 38.000 -0.019 0.000 1.064 1045 I HN 0.101 nan 8.210 nan 0.000 0.414 1046 L N 0.584 121.784 121.223 -0.038 0.000 2.083 1046 L HA -0.180 4.160 4.340 0.000 0.000 0.209 1046 L C 2.805 179.705 176.870 0.050 0.000 1.083 1046 L CA 1.242 56.079 54.840 -0.005 0.000 0.752 1046 L CB -0.633 41.413 42.059 -0.022 0.000 0.899 1046 L HN 0.183 nan 8.230 nan 0.000 0.433 1047 A N 0.317 123.166 122.820 0.049 0.000 1.858 1047 A HA -0.139 4.181 4.320 0.000 0.000 0.216 1047 A C 2.396 180.029 177.584 0.082 0.000 1.190 1047 A CA 1.867 54.014 52.037 0.183 0.000 0.617 1047 A CB -1.323 17.739 19.000 0.104 0.000 0.827 1047 A HN 0.424 nan 8.150 nan 0.000 0.443 1048 G N -0.912 107.909 108.800 0.035 0.000 2.408 1048 G HA2 -0.189 3.771 3.960 0.000 0.000 0.217 1048 G HA3 -0.189 3.771 3.960 0.000 0.000 0.217 1048 G C 1.700 176.608 174.900 0.013 0.000 1.150 1048 G CA 1.174 46.286 45.100 0.020 0.000 0.776 1048 G HN 0.514 nan 8.290 nan 0.000 0.542 1049 R N 0.515 121.023 120.500 0.013 0.000 2.081 1049 R HA 0.095 4.435 4.340 0.000 0.000 0.235 1049 R C 2.433 178.736 176.300 0.006 0.000 1.131 1049 R CA 1.126 57.230 56.100 0.006 0.000 0.960 1049 R CB -0.591 29.712 30.300 0.006 0.000 0.856 1049 R HN 0.427 nan 8.270 nan 0.000 0.436 1050 I N 0.070 120.649 120.570 0.016 0.000 2.202 1050 I HA -0.249 3.921 4.170 0.000 0.000 0.242 1050 I C 1.785 177.900 176.117 -0.005 0.000 1.091 1050 I CA 0.766 62.070 61.300 0.008 0.000 1.368 1050 I CB -0.266 37.744 38.000 0.016 0.000 1.058 1050 I HN 0.144 nan 8.210 nan 0.000 0.410 1051 I N 1.198 121.767 120.570 -0.002 0.000 2.163 1051 I HA -0.303 3.867 4.170 0.000 0.000 0.243 1051 I C 2.818 178.927 176.117 -0.013 0.000 1.085 1051 I CA 1.918 63.212 61.300 -0.010 0.000 1.347 1051 I CB -1.491 36.506 38.000 -0.005 0.000 1.044 1051 I HN 0.204 nan 8.210 nan 0.000 0.408 1052 A N 0.191 123.005 122.820 -0.010 0.000 1.930 1052 A HA -0.214 4.106 4.320 0.000 0.000 0.217 1052 A C 2.261 179.833 177.584 -0.019 0.000 1.175 1052 A CA 1.683 53.710 52.037 -0.016 0.000 0.627 1052 A CB -0.502 18.488 19.000 -0.017 0.000 0.815 1052 A HN 0.407 nan 8.150 nan 0.000 0.443 1053 E N 0.328 120.519 120.200 -0.015 0.000 2.110 1053 E HA -0.146 4.204 4.350 0.000 0.000 0.193 1053 E C 2.040 178.629 176.600 -0.018 0.000 0.988 1053 E CA 2.222 58.613 56.400 -0.016 0.000 0.804 1053 E CB -0.439 29.255 29.700 -0.011 0.000 0.745 1053 E HN 0.663 nan 8.360 nan 0.000 0.458 1054 T N -2.647 111.895 114.554 -0.019 0.000 2.976 1054 T HA 0.026 4.376 4.350 0.000 0.000 0.257 1054 T C 1.958 176.645 174.700 -0.022 0.000 1.051 1054 T CA 0.806 62.894 62.100 -0.021 0.000 1.141 1054 T CB -0.410 68.444 68.868 -0.023 0.000 0.881 1054 T HN 0.034 nan 8.240 nan 0.000 0.461 1055 V N 2.856 122.757 119.914 -0.021 0.000 2.788 1055 V HA 0.031 4.151 4.120 0.000 0.000 0.251 1055 V C 2.886 178.966 176.094 -0.024 0.000 1.068 1055 V CA 1.422 63.709 62.300 -0.022 0.000 1.090 1055 V CB -0.584 31.227 31.823 -0.020 0.000 0.710 1055 V HN 0.648 nan 8.190 nan 0.000 0.467 1056 R N 0.986 121.471 120.500 -0.026 0.000 2.200 1056 R HA -0.115 4.225 4.340 0.000 0.000 0.234 1056 R C 1.912 178.193 176.300 -0.031 0.000 1.127 1056 R CA 1.772 57.854 56.100 -0.030 0.000 0.989 1056 R CB -1.028 29.253 30.300 -0.031 0.000 0.869 1056 R HN 0.628 nan 8.270 nan 0.000 0.459 1057 S N 0.240 115.923 115.700 -0.029 0.000 2.595 1057 S HA -0.084 4.386 4.470 0.000 0.000 0.235 1057 S C 1.654 176.235 174.600 -0.031 0.000 0.974 1057 S CA 0.875 59.056 58.200 -0.031 0.000 0.942 1057 S CB -0.067 63.116 63.200 -0.028 0.000 0.766 1057 S HN 0.610 nan 8.310 nan 0.000 0.536 1058 T N -1.166 113.370 114.554 -0.029 0.000 3.037 1058 T HA 0.311 4.661 4.350 0.000 0.000 0.251 1058 T C 0.421 175.103 174.700 -0.030 0.000 1.079 1058 T CA -0.475 61.608 62.100 -0.027 0.000 1.067 1058 T CB -0.468 68.387 68.868 -0.022 0.000 0.948 1058 T HN 0.276 nan 8.240 nan 0.000 0.496 1059 L N 2.897 124.099 121.223 -0.034 0.000 2.462 1059 L HA 0.516 4.856 4.340 0.000 0.000 0.272 1059 L C 0.703 177.546 176.870 -0.046 0.000 1.166 1059 L CA 1.617 56.435 54.840 -0.036 0.000 0.880 1059 L CB -0.670 41.367 42.059 -0.038 0.000 1.142 1059 L HN 0.735 nan 8.230 nan 0.000 0.473 1060 G N 4.038 112.813 108.800 -0.042 0.000 2.663 1060 G HA2 -0.147 3.813 3.960 0.000 0.000 0.686 1060 G HA3 -0.147 3.813 3.960 0.000 0.000 0.686 1060 G C -2.098 172.761 174.900 -0.068 0.000 1.288 1060 G CA -0.459 44.606 45.100 -0.058 0.000 0.836 1060 G HN 0.482 nan 8.290 nan 0.000 0.584 1061 P HA -0.016 nan 4.420 nan 0.000 0.218 1061 P C 1.408 178.614 177.300 -0.157 0.000 1.148 1061 P CA 1.495 64.525 63.100 -0.118 0.000 0.822 1061 P CB 0.047 31.577 31.700 -0.283 0.000 0.784 1062 K N -0.691 119.590 120.400 -0.198 0.000 2.446 1062 K HA 0.257 4.577 4.320 0.000 0.000 0.203 1062 K C 0.951 177.497 176.600 -0.090 0.000 1.027 1062 K CA -0.189 56.006 56.287 -0.152 0.000 1.166 1062 K CB -0.374 32.016 32.500 -0.183 0.000 0.869 1062 K HN 0.035 nan 8.250 nan 0.000 0.504 1063 G N 0.377 109.134 108.800 -0.072 0.000 2.569 1063 G HA2 0.222 4.182 3.960 0.000 0.000 0.249 1063 G HA3 0.222 4.182 3.960 0.000 0.000 0.249 1063 G C -0.017 174.860 174.900 -0.038 0.000 1.216 1063 G CA -0.432 44.638 45.100 -0.050 0.000 0.845 1063 G HN -0.029 nan 8.290 nan 0.000 0.568 1064 M N -0.047 119.533 119.600 -0.033 0.000 2.705 1064 M HA 0.408 4.889 4.480 0.000 0.000 0.272 1064 M C -0.690 175.596 176.300 -0.024 0.000 1.172 1064 M CA -0.512 54.771 55.300 -0.027 0.000 0.901 1064 M CB 1.402 33.986 32.600 -0.028 0.000 1.516 1064 M HN 0.389 nan 8.290 nan 0.000 0.530 1065 D N -0.221 120.165 120.400 -0.024 0.000 2.269 1065 D HA 0.474 5.114 4.640 0.000 0.000 0.244 1065 D C -0.977 175.307 176.300 -0.026 0.000 0.992 1065 D CA -0.370 53.615 54.000 -0.024 0.000 0.894 1065 D CB 1.413 42.198 40.800 -0.025 0.000 1.248 1065 D HN 0.098 nan 8.370 nan 0.000 0.468 1066 K N 0.740 121.124 120.400 -0.025 0.000 2.123 1066 K HA 0.612 4.932 4.320 0.000 0.000 0.248 1066 K C -0.807 175.775 176.600 -0.030 0.000 0.969 1066 K CA -0.519 55.752 56.287 -0.026 0.000 0.882 1066 K CB 1.316 33.802 32.500 -0.023 0.000 1.080 1066 K HN 0.364 nan 8.250 nan 0.000 0.441 1067 M N 3.305 122.886 119.600 -0.031 0.000 2.022 1067 M HA 0.328 4.808 4.480 0.000 0.000 0.298 1067 M C -1.706 174.577 176.300 -0.028 0.000 0.909 1067 M CA -0.917 54.361 55.300 -0.036 0.000 0.914 1067 M CB 0.569 33.144 32.600 -0.042 0.000 1.486 1067 M HN 0.308 nan 8.290 nan 0.000 0.415 1068 L N 5.059 126.267 121.223 -0.023 0.000 2.275 1068 L HA 0.563 4.903 4.340 0.000 0.000 0.288 1068 L C -0.681 176.181 176.870 -0.013 0.000 1.046 1068 L CA -0.322 54.507 54.840 -0.017 0.000 0.805 1068 L CB 1.740 43.791 42.059 -0.014 0.000 1.193 1068 L HN 0.360 nan 8.230 nan 0.000 0.426 1069 V N 2.579 122.486 119.914 -0.012 0.000 2.409 1069 V HA 0.349 4.469 4.120 0.000 0.000 0.291 1069 V C -0.058 176.032 176.094 -0.005 0.000 1.020 1069 V CA -0.856 61.439 62.300 -0.008 0.000 0.848 1069 V CB 1.566 33.384 31.823 -0.009 0.000 0.990 1069 V HN 0.633 nan 8.190 nan 0.000 0.430 1070 D N 2.503 122.902 120.400 -0.001 0.000 2.384 1070 D HA 0.046 4.686 4.640 0.000 0.000 0.244 1070 D C 1.021 177.320 176.300 -0.001 0.000 1.251 1070 D CA -0.115 53.885 54.000 -0.001 0.000 0.961 1070 D CB 1.275 42.077 40.800 0.002 0.000 1.116 1070 D HN 0.704 nan 8.370 nan 0.000 0.484 1071 D N -0.479 119.921 120.400 -0.001 0.000 2.263 1071 D HA -0.116 4.524 4.640 0.000 0.000 0.208 1071 D C 1.530 177.831 176.300 0.001 0.000 0.971 1071 D CA 0.832 54.832 54.000 -0.001 0.000 0.867 1071 D CB 0.116 40.916 40.800 -0.001 0.000 0.929 1071 D HN 0.118 nan 8.370 nan 0.000 0.492 1072 L N -1.169 120.055 121.223 0.002 0.000 2.509 1072 L HA 0.344 4.684 4.340 0.000 0.000 0.222 1072 L C 2.047 178.920 176.870 0.005 0.000 1.123 1072 L CA 0.997 55.839 54.840 0.003 0.000 0.856 1072 L CB 0.134 42.196 42.059 0.004 0.000 0.985 1072 L HN 0.268 nan 8.230 nan 0.000 0.456 1073 G N -1.539 107.263 108.800 0.004 0.000 2.201 1073 G HA2 -0.248 3.712 3.960 0.000 0.000 0.212 1073 G HA3 -0.248 3.712 3.960 0.000 0.000 0.212 1073 G C 0.281 175.187 174.900 0.009 0.000 0.994 1073 G CA 0.069 45.172 45.100 0.006 0.000 0.644 1073 G HN 0.317 nan 8.290 nan 0.000 0.508 1074 D N 1.194 121.600 120.400 0.011 0.000 2.487 1074 D HA 0.355 4.995 4.640 0.000 0.000 0.243 1074 D C 0.459 176.770 176.300 0.017 0.000 1.154 1074 D CA 0.390 54.401 54.000 0.018 0.000 0.876 1074 D CB 1.057 41.867 40.800 0.017 0.000 1.161 1074 D HN 0.257 nan 8.370 nan 0.000 0.478 1075 V N 4.938 124.868 119.914 0.027 0.000 2.398 1075 V HA 0.378 4.498 4.120 0.000 0.000 0.286 1075 V C 0.114 176.223 176.094 0.026 0.000 1.026 1075 V CA -0.827 61.481 62.300 0.014 0.000 0.868 1075 V CB 1.685 33.509 31.823 0.002 0.000 0.982 1075 V HN 0.401 nan 8.190 nan 0.000 0.443 1076 V N 6.413 126.329 119.914 0.004 0.000 2.656 1076 V HA 0.675 4.795 4.120 0.000 0.000 0.307 1076 V C -0.775 175.304 176.094 -0.025 0.000 1.051 1076 V CA -0.294 62.011 62.300 0.009 0.000 0.893 1076 V CB 2.341 34.173 31.823 0.016 0.000 0.999 1076 V HN 0.622 nan 8.190 nan 0.000 0.426 1077 V N 5.812 125.703 119.914 -0.038 0.000 2.409 1077 V HA 0.781 4.901 4.120 0.000 0.000 0.291 1077 V C 0.014 176.095 176.094 -0.021 0.000 1.020 1077 V CA -0.086 62.181 62.300 -0.054 0.000 0.848 1077 V CB 1.555 33.313 31.823 -0.108 0.000 0.990 1077 V HN 1.038 nan 8.190 nan 0.000 0.430 1078 T N 2.547 117.090 114.554 -0.018 0.000 2.802 1078 T HA 0.323 4.673 4.350 0.000 0.000 0.311 1078 T C 0.080 174.773 174.700 -0.012 0.000 1.405 1078 T CA -0.378 61.717 62.100 -0.008 0.000 1.016 1078 T CB 2.029 70.896 68.868 -0.002 0.000 1.352 1078 T HN 0.661 nan 8.240 nan 0.000 0.498 1079 N N 1.182 119.877 118.700 -0.008 0.000 2.210 1079 N HA 0.074 4.814 4.740 0.000 0.000 0.203 1079 N C -0.314 175.191 175.510 -0.008 0.000 1.175 1079 N CA -0.006 53.038 53.050 -0.010 0.000 0.894 1079 N CB 0.476 38.959 38.487 -0.008 0.000 1.041 1079 N HN 0.691 nan 8.380 nan 0.000 0.506 1080 D N -0.057 120.340 120.400 -0.005 0.000 2.371 1080 D HA 0.202 4.842 4.640 0.000 0.000 0.256 1080 D C 1.485 177.781 176.300 -0.007 0.000 1.193 1080 D CA 0.206 54.204 54.000 -0.004 0.000 0.881 1080 D CB 1.038 41.838 40.800 -0.001 0.000 1.143 1080 D HN 0.263 nan 8.370 nan 0.000 0.473 1081 G N 2.653 111.448 108.800 -0.008 0.000 2.440 1081 G HA2 -0.246 3.714 3.960 0.000 0.000 0.218 1081 G HA3 -0.246 3.714 3.960 0.000 0.000 0.218 1081 G C 1.532 176.427 174.900 -0.008 0.000 1.154 1081 G CA 0.758 45.852 45.100 -0.010 0.000 0.767 1081 G HN 0.490 nan 8.290 nan 0.000 0.552 1082 V N 0.839 120.750 119.914 -0.005 0.000 2.261 1082 V HA -0.185 3.935 4.120 0.000 0.000 0.246 1082 V C 3.185 179.277 176.094 -0.004 0.000 1.047 1082 V CA 2.422 64.719 62.300 -0.004 0.000 1.015 1082 V CB -0.913 30.908 31.823 -0.002 0.000 0.642 1082 V HN 0.408 nan 8.190 nan 0.000 0.446 1083 T N 0.310 114.862 114.554 -0.003 0.000 2.684 1083 T HA -0.169 4.181 4.350 0.000 0.000 0.267 1083 T C 1.805 176.502 174.700 -0.005 0.000 1.036 1083 T CA 1.917 64.016 62.100 -0.002 0.000 1.148 1083 T CB -0.315 68.553 68.868 -0.000 0.000 0.863 1083 T HN 0.339 nan 8.240 nan 0.000 0.436 1084 I N 0.319 120.885 120.570 -0.007 0.000 2.179 1084 I HA -0.148 4.022 4.170 0.000 0.000 0.242 1084 I C 2.100 178.209 176.117 -0.012 0.000 1.088 1084 I CA 1.000 62.294 61.300 -0.011 0.000 1.357 1084 I CB -0.281 37.711 38.000 -0.013 0.000 1.051 1084 I HN 0.160 nan 8.210 nan 0.000 0.409 1085 L N 0.113 121.329 121.223 -0.010 0.000 2.109 1085 L HA -0.089 4.251 4.340 0.000 0.000 0.207 1085 L C 2.501 179.366 176.870 -0.008 0.000 1.086 1085 L CA 1.505 56.338 54.840 -0.011 0.000 0.760 1085 L CB -0.945 41.109 42.059 -0.008 0.000 0.910 1085 L HN 0.147 nan 8.230 nan 0.000 0.437 1086 R N -0.142 120.354 120.500 -0.006 0.000 2.075 1086 R HA -0.107 4.233 4.340 0.000 0.000 0.232 1086 R C 1.891 178.188 176.300 -0.005 0.000 1.126 1086 R CA 1.237 57.335 56.100 -0.004 0.000 0.963 1086 R CB 0.093 30.392 30.300 -0.002 0.000 0.858 1086 R HN 0.337 nan 8.270 nan 0.000 0.435 1087 E N 0.886 121.082 120.200 -0.006 0.000 2.086 1087 E HA -0.052 4.298 4.350 0.000 0.000 0.190 1087 E C 1.282 177.876 176.600 -0.009 0.000 0.975 1087 E CA 0.467 56.864 56.400 -0.006 0.000 0.813 1087 E CB -0.358 29.339 29.700 -0.004 0.000 0.768 1087 E HN 0.448 nan 8.360 nan 0.000 0.457 1088 M N -0.022 119.570 119.600 -0.013 0.000 2.240 1088 M HA 0.102 4.582 4.480 0.000 0.000 0.317 1088 M C 0.499 176.787 176.300 -0.020 0.000 1.087 1088 M CA 0.331 55.620 55.300 -0.018 0.000 1.176 1088 M CB 0.570 33.156 32.600 -0.024 0.000 1.439 1088 M HN -0.260 nan 8.290 nan 0.000 0.452 1089 S N 2.317 118.002 115.700 -0.025 0.000 2.473 1089 S HA 0.430 4.900 4.470 0.000 0.000 0.312 1089 S C -0.652 173.924 174.600 -0.041 0.000 1.087 1089 S CA -0.801 57.384 58.200 -0.026 0.000 1.077 1089 S CB -0.237 62.950 63.200 -0.022 0.000 1.065 1089 S HN 0.521 nan 8.310 nan 0.000 0.510 1090 V N 5.071 124.963 119.914 -0.036 0.000 2.546 1090 V HA 0.332 4.452 4.120 0.000 0.000 0.284 1090 V C 1.118 177.188 176.094 -0.041 0.000 1.050 1090 V CA -0.228 62.041 62.300 -0.051 0.000 0.981 1090 V CB 1.511 33.316 31.823 -0.031 0.000 0.990 1090 V HN 0.913 nan 8.190 nan 0.000 0.474 1091 E N 2.479 122.634 120.200 -0.076 0.000 2.256 1091 E HA 0.075 4.425 4.350 0.000 0.000 0.198 1091 E C 0.580 177.228 176.600 0.080 0.000 0.908 1091 E CA 0.435 56.824 56.400 -0.019 0.000 0.915 1091 E CB 0.121 29.793 29.700 -0.046 0.000 0.890 1091 E HN 0.821 nan 8.360 nan 0.000 0.484 1092 H N 1.020 120.076 119.070 -0.023 0.000 2.848 1092 H HA 0.065 4.621 4.556 -0.000 0.000 0.317 1092 H C -1.753 173.554 175.328 -0.035 0.000 1.046 1092 H CA -1.629 54.391 56.048 -0.046 0.000 1.470 1092 H CB 1.367 31.088 29.762 -0.069 0.000 1.483 1092 H HN 0.156 nan 8.280 nan 0.000 0.548 1093 P HA -0.200 nan 4.420 nan 0.000 0.215 1093 P C 1.266 178.581 177.300 0.024 0.000 1.153 1093 P CA 1.502 64.624 63.100 0.036 0.000 0.853 1093 P CB 0.215 31.925 31.700 0.018 0.000 0.788 1094 A N -0.022 122.802 122.820 0.007 0.000 1.930 1094 A HA -0.073 4.247 4.320 0.000 0.000 0.217 1094 A C 2.315 179.914 177.584 0.024 0.000 1.175 1094 A CA 1.932 53.970 52.037 0.001 0.000 0.627 1094 A CB -1.566 17.415 19.000 -0.032 0.000 0.815 1094 A HN 0.188 nan 8.150 nan 0.000 0.443 1095 A N 0.075 122.926 122.820 0.052 0.000 1.933 1095 A HA -0.163 4.157 4.320 0.000 0.000 0.218 1095 A C 2.052 179.650 177.584 0.023 0.000 1.175 1095 A CA 1.754 53.815 52.037 0.041 0.000 0.628 1095 A CB -0.424 18.604 19.000 0.047 0.000 0.814 1095 A HN 0.553 nan 8.150 nan 0.000 0.444 1096 K N -0.954 119.462 120.400 0.026 0.000 2.209 1096 K HA -0.055 4.265 4.320 0.000 0.000 0.204 1096 K C 1.820 178.429 176.600 0.015 0.000 1.048 1096 K CA 1.208 57.505 56.287 0.017 0.000 0.940 1096 K CB -0.189 32.323 32.500 0.020 0.000 0.729 1096 K HN 0.387 nan 8.250 nan 0.000 0.451 1097 M N 0.377 119.987 119.600 0.016 0.000 2.236 1097 M HA -0.041 4.439 4.480 0.000 0.000 0.266 1097 M C 2.177 178.486 176.300 0.014 0.000 1.070 1097 M CA 1.138 56.447 55.300 0.015 0.000 1.137 1097 M CB -0.663 31.946 32.600 0.015 0.000 1.378 1097 M HN 0.176 nan 8.290 nan 0.000 0.426 1098 L N 0.327 121.558 121.223 0.014 0.000 2.131 1098 L HA -0.196 4.144 4.340 0.000 0.000 0.210 1098 L C 2.249 179.124 176.870 0.008 0.000 1.092 1098 L CA 0.884 55.731 54.840 0.012 0.000 0.759 1098 L CB -0.219 41.846 42.059 0.011 0.000 0.903 1098 L HN 0.187 nan 8.230 nan 0.000 0.435 1099 I N -0.240 120.334 120.570 0.007 0.000 2.248 1099 I HA -0.350 3.820 4.170 0.000 0.000 0.248 1099 I C 2.376 178.496 176.117 0.005 0.000 1.107 1099 I CA 1.330 62.633 61.300 0.004 0.000 1.373 1099 I CB -0.212 37.790 38.000 0.003 0.000 1.055 1099 I HN 0.305 nan 8.210 nan 0.000 0.418 1100 E N 0.599 120.803 120.200 0.007 0.000 2.153 1100 E HA -0.153 4.197 4.350 0.000 0.000 0.194 1100 E C 2.135 178.740 176.600 0.008 0.000 0.988 1100 E CA 0.963 57.368 56.400 0.008 0.000 0.811 1100 E CB 0.003 29.709 29.700 0.010 0.000 0.746 1100 E HN 0.265 nan 8.360 nan 0.000 0.466 1101 V N 0.557 120.476 119.914 0.009 0.000 2.295 1101 V HA -0.287 3.833 4.120 0.000 0.000 0.246 1101 V C 2.304 178.400 176.094 0.004 0.000 1.049 1101 V CA 1.891 64.197 62.300 0.009 0.000 1.024 1101 V CB -0.894 30.935 31.823 0.010 0.000 0.648 1101 V HN 0.444 nan 8.190 nan 0.000 0.447 1102 A N -0.494 122.328 122.820 0.002 0.000 1.972 1102 A HA -0.220 4.100 4.320 0.000 0.000 0.219 1102 A C 2.280 179.864 177.584 0.000 0.000 1.169 1102 A CA 1.844 53.881 52.037 -0.001 0.000 0.635 1102 A CB -0.403 18.596 19.000 -0.002 0.000 0.810 1102 A HN 0.557 nan 8.150 nan 0.000 0.446 1103 K N -0.534 119.867 120.400 0.002 0.000 2.097 1103 K HA -0.101 4.219 4.320 0.000 0.000 0.205 1103 K C 2.188 178.789 176.600 0.002 0.000 1.050 1103 K CA 1.726 58.014 56.287 0.002 0.000 0.938 1103 K CB -0.304 32.198 32.500 0.003 0.000 0.718 1103 K HN 0.729 nan 8.250 nan 0.000 0.442 1104 T N -1.303 113.254 114.554 0.004 0.000 2.951 1104 T HA -0.138 4.213 4.350 0.000 0.000 0.268 1104 T C 1.985 176.687 174.700 0.003 0.000 1.073 1104 T CA 0.816 62.918 62.100 0.004 0.000 1.134 1104 T CB -0.001 68.870 68.868 0.006 0.000 0.884 1104 T HN 0.034 nan 8.240 nan 0.000 0.479 1105 Q N 1.210 121.011 119.800 0.002 0.000 2.079 1105 Q HA -0.068 4.272 4.340 0.000 0.000 0.200 1105 Q C 2.439 178.439 176.000 0.001 0.000 0.974 1105 Q CA 1.452 57.256 55.803 0.001 0.000 0.840 1105 Q CB -0.398 28.340 28.738 -0.000 0.000 0.898 1105 Q HN 0.523 nan 8.270 nan 0.000 0.430 1106 E N -0.085 120.115 120.200 0.000 0.000 2.085 1106 E HA -0.205 4.145 4.350 0.000 0.000 0.194 1106 E C 1.614 178.214 176.600 -0.000 0.000 0.994 1106 E CA 1.151 57.550 56.400 -0.000 0.000 0.801 1106 E CB 0.157 29.857 29.700 -0.001 0.000 0.743 1106 E HN 0.233 nan 8.360 nan 0.000 0.453 1107 K N 0.379 120.779 120.400 0.000 0.000 2.031 1107 K HA -0.133 4.187 4.320 0.000 0.000 0.205 1107 K C 2.129 178.729 176.600 0.000 0.000 1.049 1107 K CA 1.072 57.359 56.287 -0.000 0.000 0.939 1107 K CB -0.281 32.220 32.500 0.000 0.000 0.717 1107 K HN 0.051 nan 8.250 nan 0.000 0.438 1108 E N 0.838 121.039 120.200 0.001 0.000 2.076 1108 E HA -0.107 4.243 4.350 0.000 0.000 0.190 1108 E C 1.719 178.320 176.600 0.001 0.000 0.979 1108 E CA 1.299 57.700 56.400 0.001 0.000 0.807 1108 E CB 0.285 29.987 29.700 0.002 0.000 0.761 1108 E HN 0.089 nan 8.360 nan 0.000 0.454 1109 V N -4.934 114.981 119.914 0.001 0.000 3.473 1109 V HA 0.584 4.704 4.120 0.000 0.000 0.253 1109 V C 1.484 177.579 176.094 0.001 0.000 1.340 1109 V CA 0.849 63.150 62.300 0.001 0.000 1.103 1109 V CB 0.450 32.274 31.823 0.002 0.000 0.881 1109 V HN 0.340 nan 8.190 nan 0.000 0.451 1110 G N 0.687 109.487 108.800 0.000 0.000 3.586 1110 G HA2 -0.265 3.695 3.960 0.000 0.000 0.212 1110 G HA3 -0.265 3.695 3.960 0.000 0.000 0.212 1110 G C 0.166 175.067 174.900 0.001 0.000 1.411 1110 G CA 0.468 45.569 45.100 0.000 0.000 0.898 1110 G HN 0.654 nan 8.290 nan 0.000 0.575 1111 D N 1.167 121.569 120.400 0.002 0.000 2.478 1111 D HA 0.480 5.120 4.640 0.000 0.000 0.269 1111 D C 1.538 177.838 176.300 0.000 0.000 1.232 1111 D CA 1.219 55.220 54.000 0.002 0.000 1.059 1111 D CB 0.616 41.419 40.800 0.005 0.000 1.104 1111 D HN 1.611 nan 8.370 nan 0.000 0.566 1112 G N -0.344 108.456 108.800 -0.001 0.000 2.153 1112 G HA2 -0.326 3.634 3.960 0.000 0.000 0.252 1112 G HA3 -0.326 3.634 3.960 0.000 0.000 0.252 1112 G C 1.037 175.932 174.900 -0.008 0.000 0.994 1112 G CA 1.516 46.613 45.100 -0.005 0.000 0.698 1112 G HN 0.584 nan 8.290 nan 0.000 0.521 1113 T N -2.947 111.604 114.554 -0.006 0.000 2.746 1113 T HA -0.113 4.237 4.350 0.000 0.000 0.267 1113 T C 2.215 176.909 174.700 -0.010 0.000 1.039 1113 T CA 2.421 64.517 62.100 -0.007 0.000 1.142 1113 T CB -0.565 68.300 68.868 -0.005 0.000 0.866 1113 T HN 0.308 nan 8.240 nan 0.000 0.444 1114 T N 2.007 116.554 114.554 -0.013 0.000 2.737 1114 T HA -0.087 4.263 4.350 0.000 0.000 0.265 1114 T C 2.280 176.967 174.700 -0.022 0.000 1.038 1114 T CA 1.817 63.907 62.100 -0.017 0.000 1.144 1114 T CB -0.989 67.868 68.868 -0.019 0.000 0.866 1114 T HN 0.518 nan 8.240 nan 0.000 0.434 1115 T N 2.233 116.774 114.554 -0.022 0.000 2.665 1115 T HA -0.136 4.214 4.350 0.000 0.000 0.268 1115 T C 2.371 177.052 174.700 -0.032 0.000 1.035 1115 T CA 1.335 63.418 62.100 -0.029 0.000 1.151 1115 T CB -0.631 68.222 68.868 -0.025 0.000 0.862 1115 T HN 0.447 nan 8.240 nan 0.000 0.438 1116 A N 0.759 123.565 122.820 -0.023 0.000 1.940 1116 A HA -0.057 4.263 4.320 0.000 0.000 0.219 1116 A C 2.592 180.162 177.584 -0.023 0.000 1.176 1116 A CA 1.456 53.480 52.037 -0.021 0.000 0.631 1116 A CB -0.910 18.084 19.000 -0.011 0.000 0.814 1116 A HN 0.386 nan 8.150 nan 0.000 0.446 1117 V N -0.653 119.248 119.914 -0.020 0.000 2.379 1117 V HA -0.178 3.942 4.120 0.000 0.000 0.245 1117 V C 2.552 178.629 176.094 -0.028 0.000 1.044 1117 V CA 1.734 64.023 62.300 -0.019 0.000 1.036 1117 V CB -0.629 31.185 31.823 -0.015 0.000 0.664 1117 V HN 0.363 nan 8.190 nan 0.000 0.453 1118 V N -0.449 119.444 119.914 -0.034 0.000 2.295 1118 V HA -0.218 3.902 4.120 0.000 0.000 0.246 1118 V C 2.465 178.523 176.094 -0.059 0.000 1.049 1118 V CA 2.128 64.403 62.300 -0.043 0.000 1.024 1118 V CB -0.376 31.420 31.823 -0.044 0.000 0.648 1118 V HN 0.425 nan 8.190 nan 0.000 0.447 1119 V N -0.018 119.852 119.914 -0.072 0.000 2.515 1119 V HA -0.183 3.937 4.120 0.000 0.000 0.250 1119 V C 2.526 178.549 176.094 -0.118 0.000 1.058 1119 V CA 1.998 64.231 62.300 -0.112 0.000 1.064 1119 V CB -0.278 31.471 31.823 -0.124 0.000 0.675 1119 V HN 0.522 nan 8.190 nan 0.000 0.461 1120 A N -0.136 122.641 122.820 -0.071 0.000 1.898 1120 A HA 0.003 4.323 4.320 0.000 0.000 0.216 1120 A C 2.342 179.910 177.584 -0.027 0.000 1.181 1120 A CA 1.704 53.717 52.037 -0.041 0.000 0.620 1120 A CB -1.233 17.760 19.000 -0.012 0.000 0.819 1120 A HN 0.600 nan 8.150 nan 0.000 0.442 1121 G N -0.495 108.288 108.800 -0.029 0.000 2.408 1121 G HA2 -0.202 3.758 3.960 0.000 0.000 0.217 1121 G HA3 -0.202 3.758 3.960 0.000 0.000 0.217 1121 G C 1.461 176.347 174.900 -0.024 0.000 1.150 1121 G CA 1.285 46.375 45.100 -0.018 0.000 0.776 1121 G HN 0.583 nan 8.290 nan 0.000 0.542 1122 E N 0.249 120.419 120.200 -0.051 0.000 2.107 1122 E HA 0.040 4.391 4.350 0.000 0.000 0.191 1122 E C 2.454 179.013 176.600 -0.067 0.000 0.982 1122 E CA 0.433 56.795 56.400 -0.063 0.000 0.809 1122 E CB -0.350 29.294 29.700 -0.093 0.000 0.756 1122 E HN 0.416 nan 8.360 nan 0.000 0.459 1123 L N 0.031 121.194 121.223 -0.100 0.000 2.083 1123 L HA -0.159 4.181 4.340 0.000 0.000 0.209 1123 L C 2.371 179.304 176.870 0.104 0.000 1.083 1123 L CA 0.946 55.728 54.840 -0.096 0.000 0.752 1123 L CB -0.335 41.618 42.059 -0.176 0.000 0.899 1123 L HN 0.249 nan 8.230 nan 0.000 0.433 1124 L N -0.864 120.406 121.223 0.077 0.000 2.156 1124 L HA -0.166 4.174 4.340 0.000 0.000 0.208 1124 L C 2.731 179.638 176.870 0.061 0.000 1.095 1124 L CA 0.609 55.502 54.840 0.088 0.000 0.770 1124 L CB -0.386 41.703 42.059 0.049 0.000 0.914 1124 L HN 0.202 nan 8.230 nan 0.000 0.439 1125 R N 0.902 121.422 120.500 0.034 0.000 2.081 1125 R HA -0.169 4.171 4.340 0.000 0.000 0.235 1125 R C 2.116 178.440 176.300 0.040 0.000 1.131 1125 R CA 1.593 57.707 56.100 0.023 0.000 0.960 1125 R CB -0.098 30.204 30.300 0.003 0.000 0.856 1125 R HN 0.008 nan 8.270 nan 0.000 0.436 1126 K N -0.236 120.199 120.400 0.059 0.000 2.155 1126 K HA 0.144 4.464 4.320 0.000 0.000 0.203 1126 K C 1.816 178.501 176.600 0.141 0.000 1.052 1126 K CA 1.303 57.644 56.287 0.090 0.000 0.948 1126 K CB -0.282 32.270 32.500 0.088 0.000 0.728 1126 K HN 0.291 nan 8.250 nan 0.000 0.448 1127 A N 0.752 123.684 122.820 0.187 0.000 1.902 1127 A HA -0.218 4.102 4.320 0.000 0.000 0.217 1127 A C 2.123 179.732 177.584 0.042 0.000 1.181 1127 A CA 1.810 53.929 52.037 0.137 0.000 0.623 1127 A CB -0.480 18.608 19.000 0.148 0.000 0.818 1127 A HN 0.442 nan 8.150 nan 0.000 0.443 1128 E N -0.322 119.901 120.200 0.039 0.000 2.110 1128 E HA -0.215 4.135 4.350 0.000 0.000 0.193 1128 E C 1.723 178.330 176.600 0.012 0.000 0.988 1128 E CA 1.240 57.647 56.400 0.013 0.000 0.804 1128 E CB -0.056 29.650 29.700 0.010 0.000 0.745 1128 E HN 0.563 nan 8.360 nan 0.000 0.458 1129 E N 0.224 120.440 120.200 0.026 0.000 2.106 1129 E HA -0.160 4.190 4.350 0.000 0.000 0.192 1129 E C 2.088 178.701 176.600 0.022 0.000 0.984 1129 E CA 0.556 56.970 56.400 0.024 0.000 0.806 1129 E CB -0.072 29.646 29.700 0.031 0.000 0.750 1129 E HN 0.274 nan 8.360 nan 0.000 0.458 1130 L N 0.436 121.676 121.223 0.029 0.000 2.156 1130 L HA -0.086 4.254 4.340 0.000 0.000 0.208 1130 L C 2.383 179.249 176.870 -0.006 0.000 1.095 1130 L CA 1.049 55.901 54.840 0.020 0.000 0.770 1130 L CB -0.673 41.403 42.059 0.028 0.000 0.914 1130 L HN 0.084 nan 8.230 nan 0.000 0.439 1131 L N -0.962 120.249 121.223 -0.019 0.000 2.093 1131 L HA -0.187 4.153 4.340 0.000 0.000 0.208 1131 L C 1.980 178.836 176.870 -0.024 0.000 1.085 1131 L CA 0.910 55.729 54.840 -0.035 0.000 0.755 1131 L CB -0.525 41.509 42.059 -0.042 0.000 0.904 1131 L HN 0.232 nan 8.230 nan 0.000 0.435 1132 D N -0.569 119.824 120.400 -0.011 0.000 2.224 1132 D HA -0.133 4.507 4.640 0.000 0.000 0.205 1132 D C 2.017 178.316 176.300 -0.002 0.000 0.965 1132 D CA 0.803 54.800 54.000 -0.006 0.000 0.852 1132 D CB -0.029 40.771 40.800 -0.000 0.000 0.947 1132 D HN 0.262 nan 8.370 nan 0.000 0.494 1133 Q N 0.469 120.270 119.800 0.002 0.000 2.415 1133 Q HA -0.007 4.333 4.340 0.000 0.000 0.206 1133 Q C 0.047 176.050 176.000 0.005 0.000 0.946 1133 Q CA 0.010 55.818 55.803 0.007 0.000 0.951 1133 Q CB -0.158 28.589 28.738 0.015 0.000 1.026 1133 Q HN 0.176 nan 8.270 nan 0.000 0.510 1134 N N -0.339 118.360 118.700 -0.002 0.000 2.754 1134 N HA -0.155 4.585 4.740 0.000 0.000 0.248 1134 N C -1.366 174.148 175.510 0.007 0.000 1.093 1134 N CA 0.301 53.349 53.050 -0.002 0.000 0.699 1134 N CB -1.298 37.192 38.487 0.005 0.000 1.016 1134 N HN -0.029 nan 8.380 nan 0.000 0.552 1135 V N 2.113 122.027 119.914 0.001 0.000 2.385 1135 V HA 0.129 4.249 4.120 0.000 0.000 0.269 1135 V C 1.001 177.097 176.094 0.004 0.000 1.043 1135 V CA -0.799 61.509 62.300 0.014 0.000 0.906 1135 V CB 1.032 32.858 31.823 0.005 0.000 0.995 1135 V HN 0.347 nan 8.190 nan 0.000 0.467 1136 H N 8.246 127.299 119.070 -0.028 0.000 3.094 1136 H HA 0.017 4.573 4.556 0.000 0.000 0.320 1136 H C -1.667 173.633 175.328 -0.046 0.000 1.000 1136 H CA -1.055 54.975 56.048 -0.030 0.000 1.413 1136 H CB 1.575 31.322 29.762 -0.025 0.000 1.405 1136 H HN 0.385 nan 8.280 nan 0.000 0.586 1137 P HA -0.187 nan 4.420 nan 0.000 0.217 1137 P C 1.428 178.749 177.300 0.035 0.000 1.148 1137 P CA 2.565 65.597 63.100 -0.113 0.000 0.834 1137 P CB 0.025 31.619 31.700 -0.178 0.000 0.783 1138 T N -4.241 110.475 114.554 0.269 0.000 2.995 1138 T HA -0.034 4.316 4.350 0.000 0.000 0.269 1138 T C 1.702 176.436 174.700 0.056 0.000 1.091 1138 T CA 0.652 62.839 62.100 0.146 0.000 1.128 1138 T CB -0.753 68.188 68.868 0.122 0.000 0.891 1138 T HN -0.082 nan 8.240 nan 0.000 0.492 1139 I N 1.195 121.808 120.570 0.072 0.000 2.333 1139 I HA 0.010 4.180 4.170 0.000 0.000 0.246 1139 I C 2.657 178.747 176.117 -0.044 0.000 1.106 1139 I CA 0.502 61.810 61.300 0.014 0.000 1.411 1139 I CB -1.104 36.916 38.000 0.033 0.000 1.082 1139 I HN 0.175 nan 8.210 nan 0.000 0.420 1140 V N 1.547 121.400 119.914 -0.102 0.000 2.295 1140 V HA -0.219 3.901 4.120 0.000 0.000 0.246 1140 V C 2.731 178.569 176.094 -0.426 0.000 1.049 1140 V CA 1.992 64.115 62.300 -0.295 0.000 1.024 1140 V CB -0.801 30.827 31.823 -0.326 0.000 0.648 1140 V HN 0.414 nan 8.190 nan 0.000 0.447 1141 V N -0.890 118.888 119.914 -0.226 0.000 2.667 1141 V HA -0.105 4.015 4.120 0.000 0.000 0.252 1141 V C 2.360 178.436 176.094 -0.030 0.000 1.065 1141 V CA 2.114 64.341 62.300 -0.123 0.000 1.083 1141 V CB -0.684 31.108 31.823 -0.053 0.000 0.692 1141 V HN 0.493 nan 8.190 nan 0.000 0.468 1142 K N 2.233 122.617 120.400 -0.027 0.000 2.025 1142 K HA 0.098 4.418 4.320 0.000 0.000 0.207 1142 K C 2.136 178.754 176.600 0.029 0.000 1.049 1142 K CA 2.080 58.370 56.287 0.004 0.000 0.933 1142 K CB -1.325 31.174 32.500 -0.001 0.000 0.714 1142 K HN 0.435 nan 8.250 nan 0.000 0.438 1143 G N -0.746 108.078 108.800 0.041 0.000 2.422 1143 G HA2 -0.216 3.744 3.960 0.000 0.000 0.218 1143 G HA3 -0.216 3.744 3.960 0.000 0.000 0.218 1143 G C 1.170 176.173 174.900 0.172 0.000 1.146 1143 G CA 0.829 45.999 45.100 0.117 0.000 0.769 1143 G HN 0.290 nan 8.290 nan 0.000 0.547 1144 Y N 0.313 120.564 120.300 -0.083 0.000 2.314 1144 Y HA -0.015 4.535 4.550 0.000 0.000 0.293 1144 Y C 2.861 178.582 175.900 -0.298 0.000 1.129 1144 Y CA 0.899 58.877 58.100 -0.202 0.000 1.201 1144 Y CB -0.788 37.714 38.460 0.070 0.000 0.999 1144 Y HN 0.260 nan 8.280 nan 0.000 0.541 1145 Q N 0.383 120.204 119.800 0.035 0.000 2.079 1145 Q HA -0.056 4.284 4.340 0.000 0.000 0.200 1145 Q C 2.357 178.310 176.000 -0.077 0.000 0.974 1145 Q CA 1.754 57.548 55.803 -0.015 0.000 0.840 1145 Q CB -0.474 28.273 28.738 0.015 0.000 0.898 1145 Q HN 0.325 nan 8.270 nan 0.000 0.430 1146 A N 0.251 123.046 122.820 -0.041 0.000 1.873 1146 A HA -0.003 4.317 4.320 0.000 0.000 0.215 1146 A C 2.271 179.788 177.584 -0.111 0.000 1.186 1146 A CA 1.869 53.912 52.037 0.010 0.000 0.616 1146 A CB -1.142 17.942 19.000 0.141 0.000 0.823 1146 A HN 0.498 nan 8.150 nan 0.000 0.442 1147 A N -0.342 122.316 122.820 -0.270 0.000 1.930 1147 A HA 0.249 4.569 4.320 0.000 0.000 0.217 1147 A C 2.443 179.621 177.584 -0.676 0.000 1.175 1147 A CA 1.818 53.539 52.037 -0.526 0.000 0.627 1147 A CB -0.842 17.681 19.000 -0.796 0.000 0.815 1147 A HN 0.990 nan 8.150 nan 0.000 0.443 1148 A N -1.151 121.224 122.820 -0.741 0.000 1.930 1148 A HA -0.123 4.197 4.320 0.000 0.000 0.217 1148 A C 2.092 179.580 177.584 -0.160 0.000 1.175 1148 A CA 1.444 53.296 52.037 -0.309 0.000 0.627 1148 A CB -0.377 18.532 19.000 -0.152 0.000 0.815 1148 A HN 0.461 nan 8.150 nan 0.000 0.443 1149 Q N -0.295 119.399 119.800 -0.175 0.000 2.124 1149 Q HA -0.167 4.173 4.340 0.000 0.000 0.202 1149 Q C 2.003 177.901 176.000 -0.170 0.000 0.977 1149 Q CA 1.816 57.543 55.803 -0.126 0.000 0.850 1149 Q CB -0.301 28.383 28.738 -0.091 0.000 0.901 1149 Q HN 0.619 nan 8.270 nan 0.000 0.429 1150 K N 0.888 121.109 120.400 -0.298 0.000 2.103 1150 K HA 0.029 4.349 4.320 0.000 0.000 0.204 1150 K C 1.843 178.316 176.600 -0.211 0.000 1.052 1150 K CA 1.174 57.236 56.287 -0.376 0.000 0.945 1150 K CB -0.413 31.593 32.500 -0.824 0.000 0.722 1150 K HN 0.111 nan 8.250 nan 0.000 0.443 1151 A N 0.355 123.085 122.820 -0.150 0.000 1.933 1151 A HA -0.207 4.114 4.320 0.000 0.000 0.218 1151 A C 2.150 179.718 177.584 -0.025 0.000 1.175 1151 A CA 1.844 53.861 52.037 -0.033 0.000 0.628 1151 A CB -0.652 18.399 19.000 0.086 0.000 0.814 1151 A HN 0.456 nan 8.150 nan 0.000 0.444 1152 Q N 0.096 119.872 119.800 -0.040 0.000 2.084 1152 Q HA -0.183 4.157 4.340 0.000 0.000 0.202 1152 Q C 1.951 177.932 176.000 -0.032 0.000 0.978 1152 Q CA 2.251 58.038 55.803 -0.027 0.000 0.844 1152 Q CB -0.352 28.369 28.738 -0.028 0.000 0.898 1152 Q HN 0.763 nan 8.270 nan 0.000 0.426 1153 E N -0.590 119.578 120.200 -0.053 0.000 2.077 1153 E HA -0.170 4.180 4.350 0.000 0.000 0.193 1153 E C 1.903 178.482 176.600 -0.034 0.000 0.989 1153 E CA 1.115 57.487 56.400 -0.045 0.000 0.800 1153 E CB -0.151 29.510 29.700 -0.064 0.000 0.746 1153 E HN 0.452 nan 8.360 nan 0.000 0.452 1154 L N 0.584 121.783 121.223 -0.041 0.000 2.083 1154 L HA -0.189 4.151 4.340 0.000 0.000 0.209 1154 L C 2.548 179.416 176.870 -0.003 0.000 1.083 1154 L CA 0.710 55.538 54.840 -0.020 0.000 0.752 1154 L CB -0.300 41.747 42.059 -0.021 0.000 0.899 1154 L HN 0.258 nan 8.230 nan 0.000 0.433 1155 L N -0.390 120.830 121.223 -0.005 0.000 2.056 1155 L HA -0.202 4.138 4.340 0.000 0.000 0.207 1155 L C 2.528 179.399 176.870 0.002 0.000 1.078 1155 L CA 1.357 56.199 54.840 0.003 0.000 0.749 1155 L CB -0.389 41.672 42.059 0.002 0.000 0.901 1155 L HN 0.198 nan 8.230 nan 0.000 0.433 1156 K N -0.885 119.513 120.400 -0.003 0.000 2.362 1156 K HA -0.073 4.247 4.320 0.000 0.000 0.200 1156 K C 1.856 178.455 176.600 -0.001 0.000 1.046 1156 K CA 1.253 57.539 56.287 -0.002 0.000 0.952 1156 K CB -0.059 32.437 32.500 -0.006 0.000 0.753 1156 K HN 0.284 nan 8.250 nan 0.000 0.466 1157 T N 1.274 115.828 114.554 -0.000 0.000 3.035 1157 T HA 0.046 4.396 4.350 0.000 0.000 0.259 1157 T C 1.736 176.440 174.700 0.007 0.000 1.078 1157 T CA 0.569 62.670 62.100 0.002 0.000 1.132 1157 T CB 0.070 68.938 68.868 0.001 0.000 0.900 1157 T HN 0.347 nan 8.240 nan 0.000 0.480 1158 I N -0.861 119.716 120.570 0.012 0.000 3.968 1158 I HA 0.536 4.706 4.170 0.000 0.000 0.328 1158 I C 0.941 177.067 176.117 0.015 0.000 1.290 1158 I CA -0.673 60.638 61.300 0.018 0.000 1.163 1158 I CB -0.254 37.766 38.000 0.033 0.000 1.024 1158 I HN -0.095 nan 8.210 nan 0.000 0.413 1159 A N 1.597 124.424 122.820 0.011 0.000 2.546 1159 A HA 0.129 4.449 4.320 0.000 0.000 0.243 1159 A C 0.083 177.671 177.584 0.007 0.000 1.063 1159 A CA 0.032 52.074 52.037 0.009 0.000 0.757 1159 A CB -0.244 18.759 19.000 0.006 0.000 0.991 1159 A HN 0.640 nan 8.150 nan 0.000 0.503 1160 C N 3.666 122.970 119.300 0.008 0.000 2.255 1160 C HA 0.539 4.999 4.460 0.000 0.000 0.326 1160 C C 0.356 175.349 174.990 0.005 0.000 1.258 1160 C CA -0.641 58.381 59.018 0.006 0.000 1.676 1160 C CB -0.349 27.396 27.740 0.008 0.000 2.314 1160 C HN 0.941 nan 8.230 nan 0.000 0.509 1161 E N 3.681 123.883 120.200 0.004 0.000 2.351 1161 E HA 0.405 4.755 4.350 0.000 0.000 0.266 1161 E C -0.092 176.509 176.600 0.003 0.000 1.031 1161 E CA 0.229 56.631 56.400 0.003 0.000 0.911 1161 E CB 0.643 30.344 29.700 0.002 0.000 0.986 1161 E HN 0.712 nan 8.360 nan 0.000 0.446 1162 V N 1.474 121.390 119.914 0.003 0.000 3.102 1162 V HA 0.840 4.960 4.120 0.000 0.000 0.312 1162 V C 0.515 176.610 176.094 0.003 0.000 1.135 1162 V CA -0.793 61.508 62.300 0.003 0.000 1.022 1162 V CB 1.645 33.470 31.823 0.003 0.000 1.056 1162 V HN 0.672 nan 8.190 nan 0.000 0.436 1163 G N 0.419 109.221 108.800 0.002 0.000 2.343 1163 G HA2 0.463 4.424 3.960 0.000 0.000 0.254 1163 G HA3 0.463 4.424 3.960 0.000 0.000 0.254 1163 G C 0.995 175.896 174.900 0.003 0.000 1.277 1163 G CA 0.193 45.294 45.100 0.003 0.000 0.909 1163 G HN 1.670 nan 8.290 nan 0.000 0.502 1164 A N 2.140 124.962 122.820 0.003 0.000 1.940 1164 A HA -0.124 4.197 4.320 0.000 0.000 0.219 1164 A C 1.930 179.516 177.584 0.004 0.000 1.176 1164 A CA 1.856 53.895 52.037 0.004 0.000 0.631 1164 A CB -0.069 18.934 19.000 0.004 0.000 0.814 1164 A HN 0.641 nan 8.150 nan 0.000 0.446 1165 Q N -0.484 119.318 119.800 0.004 0.000 2.155 1165 Q HA 0.120 4.460 4.340 0.000 0.000 0.220 1165 Q C -0.829 175.173 176.000 0.003 0.000 0.819 1165 Q CA -0.267 55.539 55.803 0.004 0.000 1.032 1165 Q CB 0.183 28.924 28.738 0.006 0.000 1.151 1165 Q HN 0.579 nan 8.270 nan 0.000 0.487 1166 D N 1.012 121.414 120.400 0.003 0.000 2.412 1166 D HA -0.073 4.567 4.640 0.000 0.000 0.257 1166 D C 1.262 177.563 176.300 0.001 0.000 1.217 1166 D CA 0.223 54.224 54.000 0.002 0.000 0.897 1166 D CB 0.907 41.708 40.800 0.002 0.000 1.132 1166 D HN -0.030 nan 8.370 nan 0.000 0.493 1167 K N 3.485 123.886 120.400 0.001 0.000 2.032 1167 K HA -0.265 4.055 4.320 0.000 0.000 0.218 1167 K C 1.238 177.837 176.600 -0.001 0.000 1.054 1167 K CA 1.546 57.833 56.287 -0.000 0.000 0.941 1167 K CB -0.019 32.481 32.500 -0.000 0.000 0.720 1167 K HN 0.584 nan 8.250 nan 0.000 0.449 1168 E N 0.570 120.769 120.200 -0.002 0.000 2.023 1168 E HA -0.203 4.147 4.350 0.000 0.000 0.196 1168 E C 2.134 178.733 176.600 -0.003 0.000 1.003 1168 E CA 1.183 57.581 56.400 -0.003 0.000 0.809 1168 E CB -0.458 29.240 29.700 -0.003 0.000 0.755 1168 E HN 0.324 nan 8.360 nan 0.000 0.449 1169 I N 0.726 121.296 120.570 -0.001 0.000 2.493 1169 I HA -0.211 3.959 4.170 0.000 0.000 0.254 1169 I C 2.087 178.204 176.117 0.000 0.000 1.160 1169 I CA 0.637 61.937 61.300 -0.000 0.000 1.445 1169 I CB -0.094 37.907 38.000 0.001 0.000 1.086 1169 I HN 0.014 nan 8.210 nan 0.000 0.433 1170 L N -0.154 121.069 121.223 0.000 0.000 2.093 1170 L HA -0.161 4.179 4.340 0.000 0.000 0.208 1170 L C 2.469 179.338 176.870 -0.001 0.000 1.085 1170 L CA 1.925 56.765 54.840 0.000 0.000 0.755 1170 L CB -1.360 40.700 42.059 0.000 0.000 0.904 1170 L HN 0.201 nan 8.230 nan 0.000 0.435 1171 T N -1.434 113.119 114.554 -0.002 0.000 2.867 1171 T HA -0.154 4.196 4.350 0.000 0.000 0.268 1171 T C 1.957 176.654 174.700 -0.005 0.000 1.057 1171 T CA 1.028 63.126 62.100 -0.004 0.000 1.136 1171 T CB 0.035 68.900 68.868 -0.006 0.000 0.874 1171 T HN 0.059 nan 8.240 nan 0.000 0.466 1172 K N 0.774 121.172 120.400 -0.004 0.000 2.103 1172 K HA 0.157 4.477 4.320 0.000 0.000 0.204 1172 K C 2.032 178.633 176.600 0.001 0.000 1.052 1172 K CA 0.532 56.817 56.287 -0.004 0.000 0.945 1172 K CB -0.335 32.164 32.500 -0.003 0.000 0.722 1172 K HN 0.201 nan 8.250 nan 0.000 0.443 1173 I N 0.741 121.313 120.570 0.003 0.000 2.142 1173 I HA -0.206 3.964 4.170 0.000 0.000 0.240 1173 I C 2.161 178.282 176.117 0.006 0.000 1.078 1173 I CA 1.502 62.805 61.300 0.006 0.000 1.343 1173 I CB -1.359 36.644 38.000 0.005 0.000 1.046 1173 I HN 0.082 nan 8.210 nan 0.000 0.405 1174 A N 0.640 123.463 122.820 0.004 0.000 1.883 1174 A HA -0.282 4.038 4.320 0.000 0.000 0.217 1174 A C 2.471 180.058 177.584 0.005 0.000 1.186 1174 A CA 2.206 54.245 52.037 0.004 0.000 0.624 1174 A CB -0.732 18.268 19.000 0.001 0.000 0.822 1174 A HN 0.480 nan 8.150 nan 0.000 0.444 1175 M N 0.307 119.907 119.600 0.002 0.000 2.086 1175 M HA -0.169 4.311 4.480 0.000 0.000 0.261 1175 M C 2.268 178.574 176.300 0.010 0.000 1.067 1175 M CA 2.556 57.855 55.300 -0.001 0.000 1.116 1175 M CB -0.505 32.088 32.600 -0.013 0.000 1.348 1175 M HN 0.600 nan 8.290 nan 0.000 0.407 1176 T N -2.458 112.105 114.554 0.015 0.000 2.867 1176 T HA -0.093 4.257 4.350 0.000 0.000 0.268 1176 T C 1.979 176.701 174.700 0.038 0.000 1.057 1176 T CA 1.588 63.708 62.100 0.033 0.000 1.136 1176 T CB -0.687 68.200 68.868 0.032 0.000 0.874 1176 T HN 0.486 nan 8.240 nan 0.000 0.466 1177 S N 1.164 116.879 115.700 0.025 0.000 2.355 1177 S HA -0.005 4.465 4.470 0.000 0.000 0.222 1177 S C 2.031 176.647 174.600 0.026 0.000 1.031 1177 S CA 0.935 59.148 58.200 0.022 0.000 0.993 1177 S CB -0.669 62.539 63.200 0.014 0.000 0.859 1177 S HN 0.585 nan 8.310 nan 0.000 0.453 1178 I N 1.714 122.299 120.570 0.024 0.000 2.264 1178 I HA -0.116 4.054 4.170 0.000 0.000 0.248 1178 I C 1.355 177.496 176.117 0.041 0.000 1.111 1178 I CA 1.015 62.331 61.300 0.026 0.000 1.382 1178 I CB -0.961 37.050 38.000 0.018 0.000 1.060 1178 I HN 0.452 nan 8.210 nan 0.000 0.418 1179 T N -0.770 113.819 114.554 0.059 0.000 2.900 1179 T HA 0.367 4.717 4.350 0.000 0.000 0.307 1179 T C 1.144 175.905 174.700 0.102 0.000 1.065 1179 T CA 0.056 62.219 62.100 0.106 0.000 1.105 1179 T CB 1.379 70.348 68.868 0.168 0.000 0.979 1179 T HN 0.598 nan 8.240 nan 0.000 0.544 1180 G N 1.398 110.269 108.800 0.117 0.000 2.176 1180 G HA2 -0.205 3.755 3.960 0.000 0.000 0.253 1180 G HA3 -0.205 3.755 3.960 0.000 0.000 0.253 1180 G C -0.039 174.883 174.900 0.036 0.000 0.979 1180 G CA 0.409 45.544 45.100 0.059 0.000 0.641 1180 G HN 0.935 nan 8.290 nan 0.000 0.530 1181 K N -0.906 119.520 120.400 0.044 0.000 2.352 1181 K HA 0.609 4.929 4.320 0.000 0.000 0.240 1181 K C 1.542 178.162 176.600 0.034 0.000 1.017 1181 K CA -0.539 55.767 56.287 0.030 0.000 0.851 1181 K CB 1.280 33.796 32.500 0.026 0.000 1.261 1181 K HN 0.169 nan 8.250 nan 0.000 0.451 1182 G N 0.391 109.207 108.800 0.027 0.000 2.448 1182 G HA2 -0.252 3.709 3.960 0.000 0.000 0.219 1182 G HA3 -0.252 3.709 3.960 0.000 0.000 0.219 1182 G C 1.265 176.182 174.900 0.028 0.000 1.127 1182 G CA 1.110 46.227 45.100 0.027 0.000 0.766 1182 G HN 0.613 nan 8.290 nan 0.000 0.552 1183 A N 1.532 124.368 122.820 0.026 0.000 2.121 1183 A HA 0.004 4.325 4.320 0.000 0.000 0.218 1183 A C 2.135 179.733 177.584 0.023 0.000 1.154 1183 A CA 1.669 53.720 52.037 0.023 0.000 0.679 1183 A CB -0.385 18.627 19.000 0.021 0.000 0.795 1183 A HN 0.655 nan 8.150 nan 0.000 0.458 1184 E N 0.528 120.747 120.200 0.031 0.000 2.401 1184 E HA -0.216 4.134 4.350 0.000 0.000 0.199 1184 E C 1.457 178.068 176.600 0.020 0.000 1.023 1184 E CA 1.229 57.648 56.400 0.031 0.000 0.859 1184 E CB -0.318 29.418 29.700 0.059 0.000 0.780 1184 E HN 0.612 nan 8.360 nan 0.000 0.523 1185 K N 0.492 120.904 120.400 0.021 0.000 2.147 1185 K HA -0.063 4.257 4.320 0.000 0.000 0.205 1185 K C 1.388 177.992 176.600 0.006 0.000 1.049 1185 K CA 1.290 57.586 56.287 0.014 0.000 0.936 1185 K CB 0.055 32.565 32.500 0.017 0.000 0.722 1185 K HN 0.229 nan 8.250 nan 0.000 0.446 1186 A N 1.268 124.092 122.820 0.006 0.000 2.631 1186 A HA 0.079 4.399 4.320 0.000 0.000 0.294 1186 A C 1.173 178.757 177.584 -0.000 0.000 1.156 1186 A CA -0.489 51.550 52.037 0.002 0.000 0.963 1186 A CB -0.097 18.907 19.000 0.006 0.000 1.202 1186 A HN 0.253 nan 8.150 nan 0.000 0.523 1187 K N 0.117 120.516 120.400 -0.002 0.000 2.286 1187 K HA -0.223 4.097 4.320 0.000 0.000 0.203 1187 K C 0.841 177.435 176.600 -0.009 0.000 1.045 1187 K CA 1.969 58.254 56.287 -0.004 0.000 0.935 1187 K CB -0.110 32.384 32.500 -0.009 0.000 0.737 1187 K HN 0.348 nan 8.250 nan 0.000 0.460 1188 E N 1.437 121.629 120.200 -0.013 0.000 2.046 1188 E HA -0.137 4.213 4.350 0.000 0.000 0.190 1188 E C 1.930 178.525 176.600 -0.007 0.000 0.982 1188 E CA 1.346 57.738 56.400 -0.013 0.000 0.800 1188 E CB -0.049 29.642 29.700 -0.016 0.000 0.756 1188 E HN 0.305 nan 8.360 nan 0.000 0.449 1189 K N 0.278 120.676 120.400 -0.004 0.000 2.057 1189 K HA -0.072 4.248 4.320 0.000 0.000 0.206 1189 K C 1.667 178.268 176.600 0.001 0.000 1.050 1189 K CA 0.794 57.081 56.287 -0.001 0.000 0.935 1189 K CB -0.229 32.272 32.500 0.002 0.000 0.715 1189 K HN -0.014 nan 8.250 nan 0.000 0.439 1190 L N 0.680 121.904 121.223 0.002 0.000 2.083 1190 L HA -0.001 4.339 4.340 0.000 0.000 0.209 1190 L C 2.301 179.172 176.870 0.002 0.000 1.083 1190 L CA 1.934 56.776 54.840 0.004 0.000 0.752 1190 L CB -1.150 40.912 42.059 0.006 0.000 0.899 1190 L HN 0.293 nan 8.230 nan 0.000 0.433 1191 A N -0.820 122.000 122.820 -0.000 0.000 1.902 1191 A HA -0.252 4.068 4.320 0.000 0.000 0.217 1191 A C 2.360 179.943 177.584 -0.002 0.000 1.181 1191 A CA 1.715 53.751 52.037 -0.002 0.000 0.623 1191 A CB -0.563 18.434 19.000 -0.004 0.000 0.818 1191 A HN 0.493 nan 8.150 nan 0.000 0.443 1192 E N -0.131 120.068 120.200 -0.002 0.000 2.077 1192 E HA -0.183 4.167 4.350 0.000 0.000 0.193 1192 E C 1.865 178.465 176.600 -0.000 0.000 0.989 1192 E CA 1.349 57.748 56.400 -0.001 0.000 0.800 1192 E CB -0.245 29.454 29.700 -0.001 0.000 0.746 1192 E HN 0.665 nan 8.360 nan 0.000 0.452 1193 I N 0.953 121.523 120.570 0.001 0.000 2.226 1193 I HA -0.272 3.899 4.170 0.000 0.000 0.245 1193 I C 2.224 178.341 176.117 -0.000 0.000 1.100 1193 I CA 0.642 61.943 61.300 0.002 0.000 1.374 1193 I CB -0.173 37.830 38.000 0.005 0.000 1.057 1193 I HN 0.259 nan 8.210 nan 0.000 0.413 1194 I N 0.526 121.095 120.570 -0.001 0.000 2.353 1194 I HA -0.142 4.029 4.170 0.000 0.000 0.248 1194 I C 2.681 178.795 176.117 -0.004 0.000 1.119 1194 I CA 1.420 62.719 61.300 -0.003 0.000 1.417 1194 I CB -1.018 36.982 38.000 -0.001 0.000 1.078 1194 I HN 0.199 nan 8.210 nan 0.000 0.421 1195 V N -1.107 118.806 119.914 -0.003 0.000 2.809 1195 V HA -0.120 4.000 4.120 0.000 0.000 0.256 1195 V C 2.179 178.271 176.094 -0.004 0.000 1.080 1195 V CA 1.582 63.880 62.300 -0.003 0.000 1.102 1195 V CB -0.821 31.001 31.823 -0.002 0.000 0.705 1195 V HN 0.434 nan 8.190 nan 0.000 0.475 1196 E N 1.079 121.277 120.200 -0.004 0.000 2.076 1196 E HA -0.038 4.312 4.350 0.000 0.000 0.190 1196 E C 2.206 178.799 176.600 -0.011 0.000 0.979 1196 E CA 1.120 57.517 56.400 -0.005 0.000 0.807 1196 E CB -0.241 29.457 29.700 -0.003 0.000 0.761 1196 E HN 0.642 nan 8.360 nan 0.000 0.454 1197 A N 0.741 123.554 122.820 -0.012 0.000 1.858 1197 A HA -0.139 4.181 4.320 0.000 0.000 0.216 1197 A C 2.387 179.958 177.584 -0.022 0.000 1.190 1197 A CA 1.607 53.633 52.037 -0.018 0.000 0.617 1197 A CB -0.780 18.211 19.000 -0.015 0.000 0.827 1197 A HN 0.226 nan 8.150 nan 0.000 0.443 1198 V N -0.280 119.625 119.914 -0.015 0.000 2.515 1198 V HA -0.169 3.951 4.120 0.000 0.000 0.250 1198 V C 2.762 178.848 176.094 -0.014 0.000 1.058 1198 V CA 2.154 64.445 62.300 -0.014 0.000 1.064 1198 V CB -0.590 31.228 31.823 -0.009 0.000 0.675 1198 V HN 0.671 nan 8.190 nan 0.000 0.461 1199 S N -0.010 115.683 115.700 -0.011 0.000 2.383 1199 S HA -0.118 4.352 4.470 0.000 0.000 0.227 1199 S C 2.108 176.699 174.600 -0.015 0.000 1.026 1199 S CA 1.456 59.652 58.200 -0.008 0.000 0.981 1199 S CB -0.186 63.012 63.200 -0.003 0.000 0.818 1199 S HN 0.596 nan 8.310 nan 0.000 0.472 1200 A N 1.066 123.867 122.820 -0.031 0.000 1.873 1200 A HA 0.026 4.346 4.320 0.000 0.000 0.215 1200 A C 2.373 179.902 177.584 -0.091 0.000 1.186 1200 A CA 1.755 53.754 52.037 -0.063 0.000 0.616 1200 A CB -0.981 17.978 19.000 -0.068 0.000 0.823 1200 A HN 0.941 nan 8.150 nan 0.000 0.442 1201 V N -3.066 116.809 119.914 -0.065 0.000 2.788 1201 V HA -0.007 4.113 4.120 0.000 0.000 0.251 1201 V C 2.093 178.166 176.094 -0.035 0.000 1.068 1201 V CA 1.483 63.745 62.300 -0.063 0.000 1.090 1201 V CB -0.547 31.247 31.823 -0.048 0.000 0.710 1201 V HN 0.205 nan 8.190 nan 0.000 0.467 1202 V N 0.499 120.401 119.914 -0.019 0.000 2.515 1202 V HA -0.093 4.027 4.120 0.000 0.000 0.250 1202 V C 1.610 177.713 176.094 0.015 0.000 1.058 1202 V CA 2.403 64.702 62.300 -0.002 0.000 1.064 1202 V CB -0.533 31.291 31.823 0.001 0.000 0.675 1202 V HN 0.869 nan 8.190 nan 0.000 0.461 1203 D N -0.758 119.656 120.400 0.024 0.000 4.344 1203 D HA -0.223 4.417 4.640 0.000 0.000 0.144 1203 D C 0.552 176.885 176.300 0.056 0.000 0.730 1203 D CA 1.934 55.978 54.000 0.073 0.000 1.156 1203 D CB -1.242 39.623 40.800 0.109 0.000 0.570 1203 D HN 0.565 nan 8.370 nan 0.000 0.533 1204 D N 1.636 122.064 120.400 0.047 0.000 2.398 1204 D HA 0.236 4.876 4.640 0.000 0.000 0.247 1204 D C -0.238 176.075 176.300 0.020 0.000 1.227 1204 D CA 0.168 54.186 54.000 0.030 0.000 0.980 1204 D CB 0.611 41.425 40.800 0.024 0.000 1.106 1204 D HN 0.261 nan 8.370 nan 0.000 0.493 1205 E N 0.030 120.239 120.200 0.015 0.000 2.079 1205 E HA 0.518 4.868 4.350 0.000 0.000 0.252 1205 E C -0.702 175.903 176.600 0.009 0.000 0.992 1205 E CA -0.509 55.898 56.400 0.011 0.000 0.829 1205 E CB -0.343 29.362 29.700 0.009 0.000 1.158 1205 E HN 0.515 nan 8.360 nan 0.000 0.435 1206 G N 2.746 111.551 108.800 0.008 0.000 2.358 1206 G HA2 0.173 4.133 3.960 0.000 0.000 0.303 1206 G HA3 0.173 4.133 3.960 0.000 0.000 0.303 1206 G C -1.867 173.037 174.900 0.007 0.000 1.537 1206 G CA -0.844 44.261 45.100 0.009 0.000 0.928 1206 G HN 0.194 nan 8.290 nan 0.000 0.656 1207 K N 0.434 120.838 120.400 0.006 0.000 2.561 1207 K HA 0.578 4.898 4.320 0.000 0.000 0.254 1207 K C -1.425 175.176 176.600 0.002 0.000 0.942 1207 K CA -0.539 55.751 56.287 0.004 0.000 0.818 1207 K CB 2.307 34.810 32.500 0.004 0.000 1.306 1207 K HN 0.601 nan 8.250 nan 0.000 0.435 1208 V N 2.930 122.844 119.914 -0.000 0.000 2.459 1208 V HA 0.346 4.466 4.120 0.000 0.000 0.295 1208 V C -0.539 175.552 176.094 -0.005 0.000 1.029 1208 V CA -0.725 61.573 62.300 -0.003 0.000 0.874 1208 V CB 1.677 33.498 31.823 -0.004 0.000 0.985 1208 V HN 0.673 nan 8.190 nan 0.000 0.438 1209 D N 3.311 123.706 120.400 -0.008 0.000 2.471 1209 D HA 0.240 4.880 4.640 0.000 0.000 0.245 1209 D C 0.777 177.070 176.300 -0.013 0.000 1.116 1209 D CA -0.553 53.441 54.000 -0.009 0.000 0.853 1209 D CB 1.815 42.610 40.800 -0.009 0.000 1.123 1209 D HN 0.523 nan 8.370 nan 0.000 0.540 1210 K N 2.732 123.125 120.400 -0.012 0.000 2.218 1210 K HA -0.236 4.084 4.320 0.000 0.000 0.205 1210 K C 0.921 177.510 176.600 -0.018 0.000 1.046 1210 K CA 1.400 57.679 56.287 -0.014 0.000 0.933 1210 K CB 0.162 32.656 32.500 -0.011 0.000 0.728 1210 K HN 0.349 nan 8.250 nan 0.000 0.454 1211 D N 0.260 120.649 120.400 -0.018 0.000 2.309 1211 D HA -0.126 4.514 4.640 0.000 0.000 0.212 1211 D C 1.483 177.766 176.300 -0.029 0.000 0.968 1211 D CA 0.777 54.763 54.000 -0.023 0.000 0.882 1211 D CB 0.115 40.903 40.800 -0.020 0.000 0.918 1211 D HN 0.282 nan 8.370 nan 0.000 0.503 1212 L N -0.355 120.851 121.223 -0.028 0.000 2.492 1212 L HA 0.171 4.511 4.340 0.000 0.000 0.223 1212 L C 0.410 177.257 176.870 -0.039 0.000 1.132 1212 L CA 0.205 55.024 54.840 -0.035 0.000 0.850 1212 L CB 0.152 42.191 42.059 -0.032 0.000 0.966 1212 L HN 0.015 nan 8.230 nan 0.000 0.454 1213 I N 0.629 121.178 120.570 -0.034 0.000 2.420 1213 I HA 0.180 4.350 4.170 0.000 0.000 0.282 1213 I C 0.022 176.118 176.117 -0.035 0.000 1.019 1213 I CA -0.394 60.886 61.300 -0.034 0.000 1.130 1213 I CB 1.629 39.614 38.000 -0.026 0.000 1.262 1213 I HN -0.040 nan 8.210 nan 0.000 0.454 1214 K N 6.766 127.139 120.400 -0.044 0.000 2.249 1214 K HA 0.406 4.726 4.320 0.000 0.000 0.280 1214 K C -0.635 175.941 176.600 -0.041 0.000 1.033 1214 K CA -0.479 55.779 56.287 -0.047 0.000 0.946 1214 K CB 0.905 33.366 32.500 -0.065 0.000 1.005 1214 K HN 0.459 nan 8.250 nan 0.000 0.469 1215 I N 4.256 124.805 120.570 -0.035 0.000 2.347 1215 I HA 0.184 4.354 4.170 0.000 0.000 0.283 1215 I C -0.217 175.881 176.117 -0.032 0.000 1.058 1215 I CA -0.550 60.733 61.300 -0.027 0.000 1.202 1215 I CB 0.425 38.414 38.000 -0.018 0.000 1.386 1215 I HN 0.668 nan 8.210 nan 0.000 0.475 1216 E N 6.777 126.954 120.200 -0.037 0.000 2.204 1216 E HA 0.590 4.940 4.350 0.000 0.000 0.276 1216 E C -0.783 175.801 176.600 -0.025 0.000 0.974 1216 E CA -0.633 55.741 56.400 -0.043 0.000 0.815 1216 E CB 1.396 31.052 29.700 -0.073 0.000 1.119 1216 E HN 0.544 nan 8.360 nan 0.000 0.393 1217 K N 1.923 122.310 120.400 -0.022 0.000 2.468 1217 K HA 0.697 5.017 4.320 0.000 0.000 0.252 1217 K C -1.251 175.344 176.600 -0.008 0.000 0.932 1217 K CA -1.183 55.098 56.287 -0.010 0.000 0.794 1217 K CB 1.842 34.337 32.500 -0.009 0.000 1.241 1217 K HN 0.189 nan 8.250 nan 0.000 0.428 1218 K N 1.600 122.002 120.400 0.004 0.000 2.588 1218 K HA 0.191 4.511 4.320 0.000 0.000 0.250 1218 K C -1.000 175.608 176.600 0.012 0.000 0.972 1218 K CA -0.341 55.951 56.287 0.009 0.000 0.821 1218 K CB 1.910 34.426 32.500 0.025 0.000 1.249 1218 K HN 0.852 nan 8.250 nan 0.000 0.442 1219 S N 2.002 117.703 115.700 0.001 0.000 2.576 1219 S HA 0.685 5.155 4.470 0.000 0.000 0.272 1219 S C 0.531 175.137 174.600 0.011 0.000 1.352 1219 S CA 0.501 58.701 58.200 0.001 0.000 1.021 1219 S CB 0.513 63.707 63.200 -0.011 0.000 0.887 1219 S HN 1.384 nan 8.310 nan 0.000 0.542 1220 G N -0.064 108.743 108.800 0.011 0.000 2.484 1220 G HA2 0.483 4.443 3.960 0.000 0.000 0.685 1220 G HA3 0.483 4.443 3.960 0.000 0.000 0.685 1220 G C -0.061 174.849 174.900 0.015 0.000 1.294 1220 G CA -0.008 45.100 45.100 0.013 0.000 0.879 1220 G HN 2.454 nan 8.290 nan 0.000 0.646 1221 A N -0.710 122.118 122.820 0.013 0.000 5.953 1221 A HA 0.384 4.704 4.320 0.000 0.000 0.267 1221 A C 1.163 178.754 177.584 0.012 0.000 2.116 1221 A CA 1.981 54.025 52.037 0.012 0.000 0.711 1221 A CB -1.624 17.385 19.000 0.015 0.000 1.100 1221 A HN 2.726 nan 8.150 nan 0.000 0.364 1222 S N -2.590 113.118 115.700 0.013 0.000 2.810 1222 S HA 0.750 5.220 4.470 0.000 0.000 0.315 1222 S C 1.302 175.911 174.600 0.014 0.000 1.138 1222 S CA 0.011 58.218 58.200 0.013 0.000 0.889 1222 S CB 0.921 64.127 63.200 0.011 0.000 1.236 1222 S HN 0.967 nan 8.310 nan 0.000 0.548 1223 I N 1.195 121.773 120.570 0.015 0.000 2.315 1223 I HA -0.092 4.078 4.170 0.000 0.000 0.248 1223 I C 1.931 178.056 176.117 0.013 0.000 1.117 1223 I CA 1.392 62.701 61.300 0.015 0.000 1.404 1223 I CB -0.302 37.708 38.000 0.015 0.000 1.071 1223 I HN 0.694 nan 8.210 nan 0.000 0.419 1224 D N 1.016 121.422 120.400 0.011 0.000 2.218 1224 D HA -0.210 4.430 4.640 0.000 0.000 0.204 1224 D C 1.593 177.898 176.300 0.010 0.000 0.976 1224 D CA 1.140 55.145 54.000 0.008 0.000 0.853 1224 D CB -0.016 40.788 40.800 0.005 0.000 0.939 1224 D HN 0.248 nan 8.370 nan 0.000 0.481 1225 D N -0.434 119.973 120.400 0.012 0.000 2.347 1225 D HA -0.037 4.603 4.640 0.000 0.000 0.215 1225 D C 0.239 176.552 176.300 0.022 0.000 0.976 1225 D CA 0.391 54.400 54.000 0.014 0.000 0.884 1225 D CB -0.189 40.620 40.800 0.014 0.000 0.915 1225 D HN 0.162 nan 8.370 nan 0.000 0.526 1226 T N 1.513 116.080 114.554 0.022 0.000 2.933 1226 T HA 0.085 4.435 4.350 0.000 0.000 0.306 1226 T C 0.303 175.019 174.700 0.027 0.000 1.045 1226 T CA 0.689 62.804 62.100 0.026 0.000 1.143 1226 T CB 0.966 69.845 68.868 0.019 0.000 1.003 1226 T HN 0.033 nan 8.240 nan 0.000 0.540 1227 E N 1.626 121.848 120.200 0.037 0.000 2.372 1227 E HA 0.527 4.877 4.350 0.000 0.000 0.279 1227 E C -1.890 174.737 176.600 0.045 0.000 0.946 1227 E CA -0.830 55.593 56.400 0.039 0.000 0.769 1227 E CB 1.087 30.814 29.700 0.046 0.000 1.230 1227 E HN 0.367 nan 8.360 nan 0.000 0.442 1228 L N 3.900 125.144 121.223 0.035 0.000 2.289 1228 L HA 0.622 4.962 4.340 0.000 0.000 0.285 1228 L C -1.247 175.649 176.870 0.043 0.000 1.049 1228 L CA -0.247 54.610 54.840 0.028 0.000 0.804 1228 L CB 0.842 42.908 42.059 0.012 0.000 1.195 1228 L HN 0.596 nan 8.230 nan 0.000 0.428 1229 I N 4.751 125.348 120.570 0.045 0.000 2.354 1229 I HA 0.300 4.470 4.170 0.000 0.000 0.286 1229 I C -0.106 176.027 176.117 0.026 0.000 1.007 1229 I CA -0.442 60.897 61.300 0.065 0.000 1.167 1229 I CB 1.196 39.264 38.000 0.114 0.000 1.320 1229 I HN 0.425 nan 8.210 nan 0.000 0.458 1230 K N 5.266 125.680 120.400 0.023 0.000 2.199 1230 K HA 0.551 4.871 4.320 0.000 0.000 0.226 1230 K C 0.513 177.112 176.600 -0.001 0.000 1.237 1230 K CA -0.077 56.209 56.287 -0.001 0.000 1.170 1230 K CB -0.285 32.214 32.500 -0.003 0.000 1.418 1230 K HN 0.869 nan 8.250 nan 0.000 0.255 1231 G N -1.374 107.418 108.800 -0.012 0.000 2.512 1231 G HA2 0.166 4.127 3.960 0.000 0.000 0.181 1231 G HA3 0.166 4.127 3.960 0.000 0.000 0.181 1231 G C -1.623 173.248 174.900 -0.048 0.000 1.173 1231 G CA -0.739 44.349 45.100 -0.021 0.000 0.988 1231 G HN 0.043 nan 8.290 nan 0.000 0.485 1232 V N 0.834 120.709 119.914 -0.064 0.000 2.531 1232 V HA 0.694 4.814 4.120 0.000 0.000 0.301 1232 V C -0.904 175.101 176.094 -0.148 0.000 1.034 1232 V CA -0.592 61.637 62.300 -0.119 0.000 0.865 1232 V CB 1.451 33.172 31.823 -0.171 0.000 0.995 1232 V HN 0.889 nan 8.190 nan 0.000 0.424 1233 L N 7.606 128.705 121.223 -0.207 0.000 2.305 1233 L HA 0.843 5.183 4.340 0.000 0.000 0.284 1233 L C -0.384 176.328 176.870 -0.263 0.000 1.013 1233 L CA -0.178 54.450 54.840 -0.354 0.000 0.819 1233 L CB 1.649 43.391 42.059 -0.528 0.000 1.227 1233 L HN 0.582 nan 8.230 nan 0.000 0.417 1234 V N 1.584 121.365 119.914 -0.222 0.000 2.769 1234 V HA 0.634 4.754 4.120 0.000 0.000 0.312 1234 V C -0.369 175.667 176.094 -0.096 0.000 1.061 1234 V CA -0.523 61.701 62.300 -0.128 0.000 0.931 1234 V CB 1.820 33.602 31.823 -0.068 0.000 1.010 1234 V HN 0.812 nan 8.190 nan 0.000 0.433 1235 D N 1.001 121.365 120.400 -0.060 0.000 3.134 1235 D HA 0.327 4.967 4.640 0.000 0.000 0.248 1235 D C -0.115 176.188 176.300 0.005 0.000 1.273 1235 D CA -0.218 53.763 54.000 -0.032 0.000 0.904 1235 D CB 0.216 40.998 40.800 -0.030 0.000 1.089 1235 D HN 0.547 nan 8.370 nan 0.000 0.478 1236 K N 0.237 120.655 120.400 0.029 0.000 2.352 1236 K HA 0.558 4.878 4.320 0.000 0.000 0.240 1236 K C 0.002 176.635 176.600 0.055 0.000 1.017 1236 K CA -0.865 55.455 56.287 0.055 0.000 0.851 1236 K CB 1.942 34.503 32.500 0.102 0.000 1.261 1236 K HN 0.294 nan 8.250 nan 0.000 0.451 1237 E N -0.156 120.069 120.200 0.042 0.000 2.416 1237 E HA 0.455 4.805 4.350 0.000 0.000 0.273 1237 E C -0.965 175.637 176.600 0.005 0.000 0.935 1237 E CA -1.091 55.326 56.400 0.029 0.000 0.784 1237 E CB 1.447 31.162 29.700 0.024 0.000 1.301 1237 E HN 0.281 nan 8.360 nan 0.000 0.454 1238 R N 0.922 121.418 120.500 -0.006 0.000 2.401 1238 R HA 0.075 4.415 4.340 0.000 0.000 0.299 1238 R C 1.338 177.625 176.300 -0.023 0.000 1.064 1238 R CA 0.252 56.332 56.100 -0.032 0.000 1.000 1238 R CB 0.878 31.159 30.300 -0.031 0.000 0.973 1238 R HN 0.577 nan 8.270 nan 0.000 0.438 1239 V N -0.139 119.757 119.914 -0.030 0.000 2.867 1239 V HA -0.115 4.005 4.120 0.000 0.000 0.260 1239 V C 0.772 176.859 176.094 -0.012 0.000 1.099 1239 V CA 1.226 63.516 62.300 -0.017 0.000 1.122 1239 V CB -0.153 31.660 31.823 -0.018 0.000 0.708 1239 V HN 0.561 nan 8.190 nan 0.000 0.490 1240 S N -1.011 114.678 115.700 -0.018 0.000 2.521 1240 S HA 0.774 5.244 4.470 0.000 0.000 0.295 1240 S C 0.873 175.465 174.600 -0.014 0.000 1.098 1240 S CA -0.127 58.065 58.200 -0.013 0.000 0.999 1240 S CB 1.858 65.047 63.200 -0.017 0.000 1.034 1240 S HN 0.723 nan 8.310 nan 0.000 0.483 1241 A N 3.021 125.837 122.820 -0.007 0.000 2.070 1241 A HA -0.076 4.244 4.320 0.000 0.000 0.220 1241 A C 1.873 179.450 177.584 -0.011 0.000 1.159 1241 A CA 1.883 53.917 52.037 -0.006 0.000 0.656 1241 A CB -0.673 18.326 19.000 -0.001 0.000 0.800 1241 A HN 0.809 nan 8.150 nan 0.000 0.453 1242 Q N -0.529 119.260 119.800 -0.017 0.000 2.378 1242 Q HA 0.132 4.472 4.340 0.000 0.000 0.205 1242 Q C 0.711 176.689 176.000 -0.037 0.000 0.954 1242 Q CA 0.414 56.200 55.803 -0.028 0.000 0.901 1242 Q CB -0.456 28.255 28.738 -0.045 0.000 0.981 1242 Q HN 0.679 nan 8.270 nan 0.000 0.483 1243 M N 2.249 121.827 119.600 -0.037 0.000 2.245 1243 M HA 0.194 4.674 4.480 0.000 0.000 0.344 1243 M C -1.920 174.363 176.300 -0.029 0.000 1.170 1243 M CA -1.738 53.538 55.300 -0.040 0.000 1.135 1243 M CB 0.389 32.963 32.600 -0.044 0.000 1.574 1243 M HN -0.054 nan 8.290 nan 0.000 0.452 1244 P HA -0.021 nan 4.420 nan 0.000 0.265 1244 P C -0.237 177.055 177.300 -0.013 0.000 1.187 1244 P CA 0.245 63.334 63.100 -0.018 0.000 0.766 1244 P CB 0.467 32.156 31.700 -0.017 0.000 0.820 1245 K N 2.256 122.652 120.400 -0.006 0.000 2.426 1245 K HA 0.008 4.328 4.320 0.000 0.000 0.193 1245 K C 0.148 176.754 176.600 0.010 0.000 1.028 1245 K CA 0.479 56.767 56.287 0.002 0.000 1.047 1245 K CB 0.094 32.595 32.500 0.002 0.000 0.821 1245 K HN 0.448 nan 8.250 nan 0.000 0.513 1246 K N -0.717 119.687 120.400 0.006 0.000 2.561 1246 K HA 0.263 4.584 4.320 0.000 0.000 0.254 1246 K C -1.541 175.065 176.600 0.009 0.000 0.942 1246 K CA -0.942 55.352 56.287 0.012 0.000 0.818 1246 K CB 2.047 34.551 32.500 0.007 0.000 1.306 1246 K HN -0.218 nan 8.250 nan 0.000 0.435 1247 V N 2.206 122.130 119.914 0.017 0.000 2.531 1247 V HA 0.438 4.558 4.120 0.000 0.000 0.301 1247 V C -0.158 175.950 176.094 0.023 0.000 1.034 1247 V CA -0.527 61.781 62.300 0.014 0.000 0.865 1247 V CB 1.814 33.642 31.823 0.009 0.000 0.995 1247 V HN 0.997 nan 8.190 nan 0.000 0.424 1248 T N 0.015 114.580 114.554 0.017 0.000 2.929 1248 T HA 0.534 4.884 4.350 0.000 0.000 0.284 1248 T C 0.178 174.890 174.700 0.021 0.000 1.014 1248 T CA -0.218 61.894 62.100 0.020 0.000 1.051 1248 T CB 1.277 70.154 68.868 0.014 0.000 1.028 1248 T HN 0.777 nan 8.240 nan 0.000 0.485 1249 D N 0.148 120.563 120.400 0.024 0.000 2.689 1249 D HA -0.156 4.484 4.640 0.000 0.000 0.237 1249 D C 0.303 176.619 176.300 0.028 0.000 1.148 1249 D CA 0.825 54.839 54.000 0.024 0.000 0.656 1249 D CB -1.279 39.532 40.800 0.018 0.000 1.050 1249 D HN 1.099 nan 8.370 nan 0.000 0.426 1250 A N 1.350 124.192 122.820 0.036 0.000 2.511 1250 A HA 0.355 4.675 4.320 0.000 0.000 0.242 1250 A C 0.509 178.121 177.584 0.046 0.000 1.069 1250 A CA 0.198 52.260 52.037 0.042 0.000 0.763 1250 A CB 0.546 19.581 19.000 0.060 0.000 1.001 1250 A HN 0.158 nan 8.150 nan 0.000 0.498 1251 K N 3.027 123.451 120.400 0.040 0.000 2.404 1251 K HA 0.383 4.703 4.320 0.000 0.000 0.257 1251 K C -1.214 175.419 176.600 0.055 0.000 1.026 1251 K CA -0.247 56.065 56.287 0.041 0.000 0.951 1251 K CB 0.934 33.451 32.500 0.027 0.000 1.203 1251 K HN 0.523 nan 8.250 nan 0.000 0.446 1252 I N 2.141 122.760 120.570 0.082 0.000 2.371 1252 I HA 0.201 4.371 4.170 0.000 0.000 0.290 1252 I C 0.370 176.555 176.117 0.112 0.000 1.028 1252 I CA -0.146 61.234 61.300 0.133 0.000 1.345 1252 I CB 1.361 39.477 38.000 0.193 0.000 1.407 1252 I HN 0.517 nan 8.210 nan 0.000 0.501 1253 A N 7.501 130.391 122.820 0.117 0.000 2.337 1253 A HA 0.856 5.176 4.320 0.000 0.000 0.329 1253 A C -0.793 176.876 177.584 0.142 0.000 1.146 1253 A CA -0.569 51.525 52.037 0.094 0.000 0.800 1253 A CB 0.705 19.738 19.000 0.054 0.000 1.220 1253 A HN 0.653 nan 8.150 nan 0.000 0.472 1254 L N 3.411 124.697 121.223 0.105 0.000 2.318 1254 L HA 0.420 4.760 4.340 0.000 0.000 0.277 1254 L C -0.919 175.993 176.870 0.070 0.000 1.008 1254 L CA -0.081 54.822 54.840 0.105 0.000 0.846 1254 L CB 0.961 43.061 42.059 0.068 0.000 1.220 1254 L HN 0.572 nan 8.230 nan 0.000 0.423 1255 L N 2.758 124.026 121.223 0.075 0.000 2.325 1255 L HA 0.432 4.772 4.340 0.000 0.000 0.278 1255 L C 0.785 177.685 176.870 0.049 0.000 1.023 1255 L CA -0.340 54.531 54.840 0.052 0.000 0.811 1255 L CB 1.901 43.987 42.059 0.046 0.000 1.249 1255 L HN 0.518 nan 8.230 nan 0.000 0.431 1256 N N 0.822 119.543 118.700 0.036 0.000 2.454 1256 N HA -0.016 4.724 4.740 0.000 0.000 0.177 1256 N C 0.500 176.026 175.510 0.027 0.000 1.049 1256 N CA -0.026 53.042 53.050 0.030 0.000 0.887 1256 N CB 0.331 38.832 38.487 0.022 0.000 1.095 1256 N HN 0.743 nan 8.380 nan 0.000 0.446 1257 C N 1.348 120.663 119.300 0.025 0.000 2.700 1257 C HA 0.779 5.239 4.460 0.000 0.000 0.397 1257 C C 0.984 175.989 174.990 0.025 0.000 1.301 1257 C CA -1.339 57.692 59.018 0.023 0.000 2.219 1257 C CB -0.448 27.305 27.740 0.021 0.000 2.699 1257 C HN 0.426 nan 8.230 nan 0.000 0.669 1258 A N 2.775 125.609 122.820 0.023 0.000 2.388 1258 A HA 0.580 4.900 4.320 0.000 0.000 0.257 1258 A C 0.183 177.782 177.584 0.026 0.000 1.095 1258 A CA -0.598 51.453 52.037 0.024 0.000 0.791 1258 A CB -0.059 18.954 19.000 0.022 0.000 1.029 1258 A HN 0.901 nan 8.150 nan 0.000 0.489 1259 I N 2.759 123.346 120.570 0.027 0.000 2.206 1259 I HA 0.182 4.352 4.170 0.000 0.000 0.292 1259 I C 0.442 176.580 176.117 0.035 0.000 1.156 1259 I CA 0.247 61.565 61.300 0.031 0.000 1.356 1259 I CB -0.695 37.324 38.000 0.032 0.000 1.494 1259 I HN 0.870 nan 8.210 nan 0.000 0.601 1260 E N 3.922 124.141 120.200 0.033 0.000 2.456 1260 E HA 0.469 4.819 4.350 0.000 0.000 0.276 1260 E C -0.753 175.867 176.600 0.034 0.000 0.981 1260 E CA -1.179 55.242 56.400 0.034 0.000 0.814 1260 E CB 1.512 31.229 29.700 0.028 0.000 1.382 1260 E HN 0.020 nan 8.360 nan 0.000 0.459 1261 I N 2.248 122.840 120.570 0.036 0.000 2.705 1261 I HA -0.028 4.142 4.170 0.000 0.000 0.291 1261 I C 0.653 176.788 176.117 0.031 0.000 1.146 1261 I CA 0.460 61.782 61.300 0.037 0.000 1.383 1261 I CB -0.375 37.650 38.000 0.042 0.000 1.454 1261 I HN 0.328 nan 8.210 nan 0.000 0.581 1262 K N 5.194 125.611 120.400 0.028 0.000 2.511 1262 K HA -0.058 4.262 4.320 0.000 0.000 0.280 1262 K C 0.038 176.652 176.600 0.024 0.000 1.008 1262 K CA 0.219 56.521 56.287 0.024 0.000 1.050 1262 K CB 0.390 32.903 32.500 0.022 0.000 0.889 1262 K HN 0.466 nan 8.250 nan 0.000 0.484 1263 E N 2.239 122.451 120.200 0.020 0.000 2.179 1263 E HA 0.151 4.502 4.350 0.000 0.000 0.275 1263 E C -0.836 175.773 176.600 0.015 0.000 0.945 1263 E CA -0.553 55.858 56.400 0.018 0.000 0.792 1263 E CB 0.988 30.696 29.700 0.014 0.000 1.125 1263 E HN 0.578 nan 8.360 nan 0.000 0.397 1264 T N 1.932 116.496 114.554 0.015 0.000 2.903 1264 T HA 0.095 4.445 4.350 0.000 0.000 0.314 1264 T C 0.886 175.592 174.700 0.010 0.000 1.078 1264 T CA -0.490 61.618 62.100 0.014 0.000 1.114 1264 T CB 0.753 69.629 68.868 0.015 0.000 0.987 1264 T HN 0.448 nan 8.240 nan 0.000 0.548 1265 E N 0.724 120.930 120.200 0.010 0.000 2.046 1265 E HA -0.027 4.324 4.350 0.000 0.000 0.190 1265 E C 1.302 177.906 176.600 0.006 0.000 0.982 1265 E CA 0.902 57.307 56.400 0.008 0.000 0.800 1265 E CB -0.581 29.124 29.700 0.008 0.000 0.756 1265 E HN 0.795 nan 8.360 nan 0.000 0.449 1266 T N 1.853 116.411 114.554 0.006 0.000 2.930 1266 T HA -0.005 4.345 4.350 0.000 0.000 0.306 1266 T C -0.328 174.375 174.700 0.004 0.000 1.045 1266 T CA -0.610 61.493 62.100 0.005 0.000 1.134 1266 T CB 0.355 69.227 68.868 0.006 0.000 0.961 1266 T HN -0.178 nan 8.240 nan 0.000 0.545 1267 D N 2.738 123.139 120.400 0.002 0.000 2.450 1267 D HA 0.470 5.110 4.640 0.000 0.000 0.247 1267 D C -0.247 176.052 176.300 -0.002 0.000 1.162 1267 D CA 0.517 54.516 54.000 -0.001 0.000 0.879 1267 D CB 0.702 41.501 40.800 -0.002 0.000 1.163 1267 D HN 0.743 nan 8.370 nan 0.000 0.472 1268 A N 2.805 125.623 122.820 -0.004 0.000 2.547 1268 A HA 0.601 4.921 4.320 0.000 0.000 0.297 1268 A C -0.784 176.789 177.584 -0.017 0.000 1.056 1268 A CA -0.774 51.259 52.037 -0.006 0.000 0.688 1268 A CB 1.656 20.657 19.000 0.002 0.000 1.282 1268 A HN 0.459 nan 8.150 nan 0.000 0.400 1269 E N 0.858 121.041 120.200 -0.029 0.000 2.356 1269 E HA 0.503 4.853 4.350 0.000 0.000 0.275 1269 E C -1.465 175.085 176.600 -0.083 0.000 0.904 1269 E CA -0.836 55.533 56.400 -0.053 0.000 0.757 1269 E CB 2.300 31.971 29.700 -0.049 0.000 1.232 1269 E HN 0.494 nan 8.360 nan 0.000 0.442 1270 I N 2.053 122.535 120.570 -0.147 0.000 2.472 1270 I HA 0.183 4.353 4.170 0.000 0.000 0.290 1270 I C -0.011 175.958 176.117 -0.246 0.000 1.016 1270 I CA -0.254 60.884 61.300 -0.271 0.000 1.348 1270 I CB 0.483 38.153 38.000 -0.552 0.000 1.417 1270 I HN 0.195 nan 8.210 nan 0.000 0.521 1271 R N 6.974 127.344 120.500 -0.216 0.000 2.363 1271 R HA 0.478 4.818 4.340 0.000 0.000 0.297 1271 R C -0.927 175.300 176.300 -0.123 0.000 1.208 1271 R CA -0.527 55.491 56.100 -0.136 0.000 1.121 1271 R CB 0.680 30.939 30.300 -0.068 0.000 1.124 1271 R HN 0.547 nan 8.270 nan 0.000 0.561 1272 I N 0.968 121.450 120.570 -0.147 0.000 2.395 1272 I HA 0.113 4.283 4.170 0.000 0.000 0.289 1272 I C 1.318 177.430 176.117 -0.009 0.000 1.023 1272 I CA 0.263 61.526 61.300 -0.062 0.000 1.350 1272 I CB 1.549 39.510 38.000 -0.066 0.000 1.409 1272 I HN 0.357 nan 8.210 nan 0.000 0.507 1273 T N 3.110 117.682 114.554 0.030 0.000 3.262 1273 T HA 0.113 4.463 4.350 0.000 0.000 0.300 1273 T C -0.503 174.218 174.700 0.035 0.000 0.959 1273 T CA -0.154 61.961 62.100 0.024 0.000 0.936 1273 T CB -0.212 68.667 68.868 0.019 0.000 1.169 1273 T HN 0.620 nan 8.240 nan 0.000 0.532 1274 D N 0.640 121.071 120.400 0.052 0.000 2.896 1274 D HA 0.355 4.995 4.640 0.000 0.000 0.241 1274 D C -2.188 174.144 176.300 0.052 0.000 1.188 1274 D CA -1.809 52.219 54.000 0.048 0.000 0.879 1274 D CB 2.851 43.681 40.800 0.051 0.000 1.553 1274 D HN -0.154 nan 8.370 nan 0.000 0.515 1275 P HA -0.135 nan 4.420 nan 0.000 0.217 1275 P C 0.962 178.285 177.300 0.039 0.000 1.148 1275 P CA 1.349 64.469 63.100 0.034 0.000 0.834 1275 P CB 0.335 32.049 31.700 0.023 0.000 0.783 1276 A N -0.301 122.540 122.820 0.036 0.000 1.898 1276 A HA -0.193 4.127 4.320 0.000 0.000 0.216 1276 A C 2.083 179.694 177.584 0.044 0.000 1.181 1276 A CA 1.578 53.633 52.037 0.030 0.000 0.620 1276 A CB -0.880 18.131 19.000 0.017 0.000 0.819 1276 A HN 0.151 nan 8.150 nan 0.000 0.442 1277 K N -0.811 119.638 120.400 0.081 0.000 2.148 1277 K HA -0.046 4.274 4.320 0.000 0.000 0.204 1277 K C 1.820 178.574 176.600 0.256 0.000 1.050 1277 K CA 1.041 57.428 56.287 0.166 0.000 0.942 1277 K CB -0.307 32.344 32.500 0.252 0.000 0.724 1277 K HN 0.376 nan 8.250 nan 0.000 0.446 1278 L N 0.999 122.317 121.223 0.158 0.000 2.042 1278 L HA -0.199 4.141 4.340 0.000 0.000 0.210 1278 L C 1.995 178.938 176.870 0.122 0.000 1.076 1278 L CA 1.770 56.688 54.840 0.129 0.000 0.749 1278 L CB -0.223 41.877 42.059 0.069 0.000 0.893 1278 L HN 0.177 nan 8.230 nan 0.000 0.432 1279 M N -1.269 118.382 119.600 0.084 0.000 2.193 1279 M HA -0.067 4.413 4.480 0.000 0.000 0.265 1279 M C 2.150 178.475 176.300 0.042 0.000 1.071 1279 M CA 1.134 56.467 55.300 0.054 0.000 1.140 1279 M CB -1.106 31.512 32.600 0.030 0.000 1.369 1279 M HN 0.246 nan 8.290 nan 0.000 0.423 1280 E N 0.014 120.226 120.200 0.019 0.000 2.051 1280 E HA -0.136 4.214 4.350 0.000 0.000 0.192 1280 E C 2.071 178.609 176.600 -0.103 0.000 0.991 1280 E CA 1.403 57.754 56.400 -0.082 0.000 0.799 1280 E CB -0.416 29.175 29.700 -0.182 0.000 0.748 1280 E HN 0.455 nan 8.360 nan 0.000 0.449 1281 F N 0.658 120.611 119.950 0.005 0.000 2.206 1281 F HA -0.051 4.476 4.527 0.000 0.000 0.298 1281 F C 2.400 178.205 175.800 0.008 0.000 1.090 1281 F CA 0.551 58.555 58.000 0.006 0.000 1.323 1281 F CB -0.165 38.838 39.000 0.005 0.000 1.028 1281 F HN -0.053 nan 8.300 nan 0.000 0.492 1282 I N -0.125 120.558 120.570 0.189 0.000 2.286 1282 I HA -0.263 3.907 4.170 0.000 0.000 0.248 1282 I C 2.014 178.176 176.117 0.074 0.000 1.115 1282 I CA 1.513 62.879 61.300 0.110 0.000 1.392 1282 I CB -0.397 37.650 38.000 0.078 0.000 1.065 1282 I HN 0.175 nan 8.210 nan 0.000 0.418 1283 E N -0.010 120.221 120.200 0.052 0.000 2.216 1283 E HA -0.233 4.118 4.350 0.000 0.000 0.192 1283 E C 2.030 178.640 176.600 0.017 0.000 0.988 1283 E CA 0.520 56.938 56.400 0.029 0.000 0.834 1283 E CB 0.035 29.741 29.700 0.009 0.000 0.772 1283 E HN 0.330 nan 8.360 nan 0.000 0.479 1284 Q N 1.021 120.824 119.800 0.005 0.000 2.172 1284 Q HA -0.148 4.192 4.340 0.000 0.000 0.200 1284 Q C 1.768 177.789 176.000 0.034 0.000 0.964 1284 Q CA 1.137 56.931 55.803 -0.014 0.000 0.855 1284 Q CB 0.213 28.901 28.738 -0.085 0.000 0.918 1284 Q HN 0.147 nan 8.270 nan 0.000 0.444 1285 E N 0.286 120.528 120.200 0.071 0.000 2.051 1285 E HA -0.198 4.152 4.350 0.000 0.000 0.192 1285 E C 1.717 178.355 176.600 0.063 0.000 0.991 1285 E CA 1.124 57.568 56.400 0.073 0.000 0.799 1285 E CB -0.154 29.595 29.700 0.082 0.000 0.748 1285 E HN 0.481 nan 8.360 nan 0.000 0.449 1286 E N 1.388 121.627 120.200 0.066 0.000 2.150 1286 E HA -0.197 4.153 4.350 0.000 0.000 0.193 1286 E C 1.926 178.564 176.600 0.064 0.000 0.985 1286 E CA 1.030 57.483 56.400 0.089 0.000 0.814 1286 E CB 0.132 29.890 29.700 0.097 0.000 0.752 1286 E HN -0.055 nan 8.360 nan 0.000 0.466 1287 K N 0.843 121.258 120.400 0.024 0.000 2.057 1287 K HA -0.071 4.249 4.320 0.000 0.000 0.206 1287 K C 2.294 178.881 176.600 -0.022 0.000 1.050 1287 K CA 1.467 57.744 56.287 -0.016 0.000 0.935 1287 K CB -0.534 31.951 32.500 -0.025 0.000 0.715 1287 K HN 0.148 nan 8.250 nan 0.000 0.439 1288 M N -0.199 119.402 119.600 0.002 0.000 2.065 1288 M HA -0.180 4.300 4.480 0.000 0.000 0.259 1288 M C 1.858 178.163 176.300 0.009 0.000 1.069 1288 M CA 1.743 57.047 55.300 0.006 0.000 1.110 1288 M CB -0.268 32.346 32.600 0.024 0.000 1.328 1288 M HN 0.264 nan 8.290 nan 0.000 0.405 1289 L N 0.766 122.009 121.223 0.033 0.000 2.083 1289 L HA -0.196 4.144 4.340 0.000 0.000 0.209 1289 L C 2.366 179.261 176.870 0.043 0.000 1.083 1289 L CA 1.954 56.828 54.840 0.057 0.000 0.752 1289 L CB -0.779 41.339 42.059 0.098 0.000 0.899 1289 L HN 0.350 nan 8.230 nan 0.000 0.433 1290 K N -0.845 119.542 120.400 -0.021 0.000 2.057 1290 K HA -0.197 4.123 4.320 0.000 0.000 0.207 1290 K C 1.601 178.099 176.600 -0.169 0.000 1.049 1290 K CA 1.769 57.913 56.287 -0.238 0.000 0.931 1290 K CB -0.091 32.154 32.500 -0.425 0.000 0.714 1290 K HN 0.344 nan 8.250 nan 0.000 0.440 1291 D N 0.400 120.743 120.400 -0.095 0.000 2.183 1291 D HA -0.112 4.528 4.640 0.000 0.000 0.203 1291 D C 1.880 178.156 176.300 -0.040 0.000 0.969 1291 D CA 1.067 55.027 54.000 -0.068 0.000 0.842 1291 D CB -0.017 40.755 40.800 -0.046 0.000 0.957 1291 D HN 0.305 nan 8.370 nan 0.000 0.484 1292 M N -0.041 119.547 119.600 -0.021 0.000 2.117 1292 M HA -0.131 4.349 4.480 0.000 0.000 0.262 1292 M C 2.223 178.524 176.300 0.000 0.000 1.065 1292 M CA 0.903 56.202 55.300 -0.001 0.000 1.114 1292 M CB -0.069 32.541 32.600 0.016 0.000 1.361 1292 M HN -0.108 nan 8.290 nan 0.000 0.408 1293 V N 0.247 120.161 119.914 -0.000 0.000 2.358 1293 V HA -0.213 3.907 4.120 0.000 0.000 0.246 1293 V C 2.607 178.692 176.094 -0.016 0.000 1.047 1293 V CA 1.887 64.192 62.300 0.008 0.000 1.035 1293 V CB -1.148 30.701 31.823 0.043 0.000 0.658 1293 V HN 0.513 nan 8.190 nan 0.000 0.452 1294 A N -0.358 122.435 122.820 -0.045 0.000 1.933 1294 A HA -0.245 4.075 4.320 0.000 0.000 0.218 1294 A C 2.166 179.735 177.584 -0.026 0.000 1.175 1294 A CA 1.899 53.908 52.037 -0.046 0.000 0.628 1294 A CB -0.405 18.555 19.000 -0.066 0.000 0.814 1294 A HN 0.638 nan 8.150 nan 0.000 0.444 1295 E N -0.426 119.762 120.200 -0.020 0.000 2.107 1295 E HA -0.086 4.265 4.350 0.000 0.000 0.191 1295 E C 1.838 178.435 176.600 -0.004 0.000 0.982 1295 E CA 0.969 57.362 56.400 -0.010 0.000 0.809 1295 E CB -0.241 29.455 29.700 -0.007 0.000 0.756 1295 E HN 0.700 nan 8.360 nan 0.000 0.459 1296 I N 1.209 121.778 120.570 -0.002 0.000 2.226 1296 I HA -0.273 3.897 4.170 0.000 0.000 0.245 1296 I C 2.444 178.560 176.117 -0.001 0.000 1.100 1296 I CA 0.997 62.298 61.300 0.002 0.000 1.374 1296 I CB -0.117 37.886 38.000 0.005 0.000 1.057 1296 I HN -0.018 nan 8.210 nan 0.000 0.413 1297 K N 1.673 122.070 120.400 -0.005 0.000 2.097 1297 K HA -0.073 4.247 4.320 0.000 0.000 0.205 1297 K C 2.025 178.621 176.600 -0.006 0.000 1.050 1297 K CA 1.618 57.901 56.287 -0.007 0.000 0.938 1297 K CB -0.407 32.086 32.500 -0.011 0.000 0.718 1297 K HN 0.254 nan 8.250 nan 0.000 0.442 1298 A N 0.355 123.171 122.820 -0.007 0.000 1.978 1298 A HA -0.166 4.154 4.320 0.000 0.000 0.220 1298 A C 2.130 179.713 177.584 -0.002 0.000 1.170 1298 A CA 2.163 54.196 52.037 -0.006 0.000 0.636 1298 A CB -1.035 17.960 19.000 -0.008 0.000 0.810 1298 A HN 0.555 nan 8.150 nan 0.000 0.448 1299 S N -1.689 114.011 115.700 0.001 0.000 2.442 1299 S HA 0.232 4.702 4.470 0.000 0.000 0.236 1299 S C 1.642 176.246 174.600 0.007 0.000 1.007 1299 S CA 1.482 59.685 58.200 0.005 0.000 0.965 1299 S CB -0.539 62.666 63.200 0.009 0.000 0.773 1299 S HN 1.988 nan 8.310 nan 0.000 0.504 1300 G N 0.570 109.373 108.800 0.004 0.000 2.176 1300 G HA2 -0.060 3.900 3.960 0.000 0.000 0.232 1300 G HA3 -0.060 3.900 3.960 0.000 0.000 0.232 1300 G C 0.256 175.160 174.900 0.007 0.000 0.986 1300 G CA -0.001 45.102 45.100 0.005 0.000 0.643 1300 G HN 1.365 nan 8.290 nan 0.000 0.522 1301 A N 0.408 123.233 122.820 0.008 0.000 2.498 1301 A HA 0.570 4.890 4.320 0.000 0.000 0.239 1301 A C 1.000 178.584 177.584 -0.001 0.000 1.068 1301 A CA 1.290 53.333 52.037 0.010 0.000 0.766 1301 A CB 0.129 19.136 19.000 0.012 0.000 1.003 1301 A HN 1.357 nan 8.150 nan 0.000 0.497 1302 N N -0.354 118.344 118.700 -0.003 0.000 2.067 1302 N HA 0.176 4.916 4.740 0.000 0.000 0.227 1302 N C -0.901 174.588 175.510 -0.036 0.000 1.348 1302 N CA 0.126 53.166 53.050 -0.016 0.000 0.879 1302 N CB 0.523 39.005 38.487 -0.008 0.000 1.109 1302 N HN 0.269 nan 8.380 nan 0.000 0.501 1303 V N 1.517 121.410 119.914 -0.035 0.000 2.531 1303 V HA 0.599 4.719 4.120 0.000 0.000 0.301 1303 V C -1.354 174.668 176.094 -0.121 0.000 1.034 1303 V CA -0.815 61.428 62.300 -0.094 0.000 0.865 1303 V CB 1.809 33.618 31.823 -0.024 0.000 0.995 1303 V HN 0.219 nan 8.190 nan 0.000 0.424 1304 L N 5.540 126.592 121.223 -0.285 0.000 2.410 1304 L HA 0.736 5.076 4.340 0.000 0.000 0.270 1304 L C -1.572 175.036 176.870 -0.437 0.000 0.983 1304 L CA -0.067 54.647 54.840 -0.209 0.000 0.822 1304 L CB 1.741 43.736 42.059 -0.108 0.000 1.285 1304 L HN 0.476 nan 8.230 nan 0.000 0.409 1305 F N 4.631 124.585 119.950 0.006 0.000 2.427 1305 F HA 0.485 5.013 4.527 0.000 0.000 0.348 1305 F C -0.040 175.762 175.800 0.004 0.000 1.125 1305 F CA -0.438 57.564 58.000 0.003 0.000 0.989 1305 F CB 1.602 40.601 39.000 -0.001 0.000 1.165 1305 F HN 0.507 nan 8.300 nan 0.000 0.442 1306 C N 4.890 124.272 119.300 0.136 0.000 2.303 1306 C HA 0.244 4.704 4.460 0.000 0.000 0.326 1306 C C 1.642 176.684 174.990 0.087 0.000 1.285 1306 C CA -0.403 58.667 59.018 0.088 0.000 1.675 1306 C CB 0.756 28.524 27.740 0.046 0.000 2.289 1306 C HN 0.965 nan 8.230 nan 0.000 0.512 1307 Q N 3.396 123.238 119.800 0.070 0.000 2.124 1307 Q HA -0.051 4.289 4.340 0.000 0.000 0.202 1307 Q C 0.790 176.814 176.000 0.039 0.000 0.977 1307 Q CA 1.631 57.464 55.803 0.051 0.000 0.850 1307 Q CB 0.180 28.939 28.738 0.035 0.000 0.901 1307 Q HN 0.758 nan 8.270 nan 0.000 0.429 1308 K N -1.146 119.275 120.400 0.035 0.000 2.632 1308 K HA 0.433 4.753 4.320 0.000 0.000 0.267 1308 K C 0.328 176.945 176.600 0.028 0.000 1.028 1308 K CA -0.204 56.100 56.287 0.028 0.000 1.045 1308 K CB 0.147 32.661 32.500 0.024 0.000 1.400 1308 K HN 0.114 nan 8.250 nan 0.000 0.522 1309 G N 0.263 109.077 108.800 0.023 0.000 2.599 1309 G HA2 0.429 4.389 3.960 0.000 0.000 0.264 1309 G HA3 0.429 4.389 3.960 0.000 0.000 0.264 1309 G C -0.523 174.390 174.900 0.022 0.000 1.200 1309 G CA -0.513 44.599 45.100 0.021 0.000 0.896 1309 G HN 0.371 nan 8.290 nan 0.000 0.536 1310 I N 0.352 120.933 120.570 0.019 0.000 2.499 1310 I HA 0.169 4.339 4.170 0.000 0.000 0.288 1310 I C -0.584 175.546 176.117 0.021 0.000 1.048 1310 I CA -0.790 60.522 61.300 0.021 0.000 1.062 1310 I CB 2.151 40.160 38.000 0.016 0.000 1.238 1310 I HN 0.420 nan 8.210 nan 0.000 0.426 1311 D N 5.242 125.659 120.400 0.028 0.000 2.414 1311 D HA -0.037 4.603 4.640 0.000 0.000 0.242 1311 D C 0.631 176.946 176.300 0.024 0.000 1.129 1311 D CA 0.140 54.156 54.000 0.026 0.000 0.885 1311 D CB 1.320 42.141 40.800 0.035 0.000 1.198 1311 D HN 0.496 nan 8.370 nan 0.000 0.437 1312 D N 3.135 123.542 120.400 0.012 0.000 2.190 1312 D HA -0.169 4.471 4.640 0.000 0.000 0.200 1312 D C 1.911 178.208 176.300 -0.005 0.000 0.992 1312 D CA 0.765 54.766 54.000 0.001 0.000 0.854 1312 D CB 0.261 41.054 40.800 -0.012 0.000 0.936 1312 D HN 0.342 nan 8.370 nan 0.000 0.462 1313 L N 1.004 122.225 121.223 -0.003 0.000 2.056 1313 L HA -0.074 4.266 4.340 0.000 0.000 0.207 1313 L C 2.524 179.422 176.870 0.046 0.000 1.078 1313 L CA 1.223 56.049 54.840 -0.023 0.000 0.749 1313 L CB -1.066 41.010 42.059 0.028 0.000 0.901 1313 L HN -0.051 nan 8.230 nan 0.000 0.433 1314 A N -1.333 121.552 122.820 0.108 0.000 1.930 1314 A HA -0.225 4.095 4.320 0.000 0.000 0.217 1314 A C 2.213 179.862 177.584 0.107 0.000 1.175 1314 A CA 1.325 53.455 52.037 0.155 0.000 0.627 1314 A CB -0.433 18.630 19.000 0.105 0.000 0.815 1314 A HN 0.525 nan 8.150 nan 0.000 0.443 1315 Q N -1.280 118.553 119.800 0.056 0.000 2.084 1315 Q HA -0.217 4.123 4.340 0.000 0.000 0.202 1315 Q C 2.156 178.169 176.000 0.022 0.000 0.978 1315 Q CA 1.531 57.351 55.803 0.029 0.000 0.844 1315 Q CB -0.392 28.356 28.738 0.017 0.000 0.898 1315 Q HN 0.910 nan 8.270 nan 0.000 0.426 1316 H N -0.252 118.764 119.070 -0.090 0.000 2.293 1316 H HA -0.163 4.393 4.556 0.000 0.000 0.300 1316 H C 1.548 176.816 175.328 -0.100 0.000 1.082 1316 H CA 1.589 57.546 56.048 -0.151 0.000 1.308 1316 H CB -0.056 29.529 29.762 -0.295 0.000 1.375 1316 H HN 0.266 nan 8.280 nan 0.000 0.495 1317 Y N 0.910 121.228 120.300 0.030 0.000 2.274 1317 Y HA -0.120 4.430 4.550 0.000 0.000 0.290 1317 Y C 2.963 178.815 175.900 -0.080 0.000 1.145 1317 Y CA 0.637 58.719 58.100 -0.030 0.000 1.203 1317 Y CB -0.523 37.975 38.460 0.063 0.000 0.984 1317 Y HN 0.155 nan 8.280 nan 0.000 0.533 1318 L N -1.113 120.163 121.223 0.089 0.000 2.046 1318 L HA -0.236 4.104 4.340 0.000 0.000 0.208 1318 L C 2.642 179.491 176.870 -0.034 0.000 1.077 1318 L CA 1.221 56.073 54.840 0.020 0.000 0.747 1318 L CB -0.814 41.250 42.059 0.009 0.000 0.896 1318 L HN 0.192 nan 8.230 nan 0.000 0.432 1319 A N -0.444 122.328 122.820 -0.080 0.000 1.933 1319 A HA -0.168 4.152 4.320 0.000 0.000 0.218 1319 A C 2.249 179.759 177.584 -0.124 0.000 1.175 1319 A CA 1.381 53.353 52.037 -0.108 0.000 0.628 1319 A CB -0.234 18.685 19.000 -0.135 0.000 0.814 1319 A HN 0.195 nan 8.150 nan 0.000 0.444 1320 K N -0.047 120.249 120.400 -0.173 0.000 2.296 1320 K HA -0.003 4.317 4.320 0.000 0.000 0.200 1320 K C 1.151 177.725 176.600 -0.043 0.000 1.048 1320 K CA 0.640 56.852 56.287 -0.125 0.000 0.966 1320 K CB -0.055 32.355 32.500 -0.150 0.000 0.754 1320 K HN 0.475 nan 8.250 nan 0.000 0.466 1321 E N -0.107 120.079 120.200 -0.024 0.000 2.489 1321 E HA 0.023 4.373 4.350 0.000 0.000 0.193 1321 E C 0.742 177.330 176.600 -0.020 0.000 1.057 1321 E CA 0.351 56.744 56.400 -0.012 0.000 0.866 1321 E CB 0.211 29.910 29.700 -0.002 0.000 0.916 1321 E HN 0.433 nan 8.360 nan 0.000 0.500 1322 G N 1.875 110.657 108.800 -0.030 0.000 2.147 1322 G HA2 -0.283 3.677 3.960 0.000 0.000 0.244 1322 G HA3 -0.283 3.677 3.960 0.000 0.000 0.244 1322 G C 0.243 175.124 174.900 -0.031 0.000 1.005 1322 G CA 0.146 45.228 45.100 -0.029 0.000 0.713 1322 G HN 0.257 nan 8.290 nan 0.000 0.515 1323 I N 1.150 121.699 120.570 -0.034 0.000 2.315 1323 I HA 0.442 4.612 4.170 0.000 0.000 0.291 1323 I C 1.018 177.100 176.117 -0.059 0.000 1.006 1323 I CA -1.143 60.132 61.300 -0.041 0.000 1.265 1323 I CB 1.563 39.543 38.000 -0.033 0.000 1.387 1323 I HN 0.151 nan 8.210 nan 0.000 0.475 1324 V N 3.826 123.694 119.914 -0.076 0.000 2.644 1324 V HA 0.937 5.058 4.120 0.000 0.000 0.295 1324 V C 0.050 176.043 176.094 -0.167 0.000 1.053 1324 V CA -0.227 62.011 62.300 -0.103 0.000 0.987 1324 V CB 1.265 33.030 31.823 -0.097 0.000 1.006 1324 V HN 0.855 nan 8.190 nan 0.000 0.472 1325 A N 3.234 125.950 122.820 -0.173 0.000 2.594 1325 A HA 1.004 5.324 4.320 0.000 0.000 0.295 1325 A C -0.468 177.000 177.584 -0.193 0.000 1.071 1325 A CA -0.330 51.577 52.037 -0.217 0.000 0.685 1325 A CB 1.742 20.669 19.000 -0.122 0.000 1.285 1325 A HN 2.449 nan 8.150 nan 0.000 0.405 1326 A N 1.434 124.120 122.820 -0.224 0.000 2.398 1326 A HA 0.764 5.084 4.320 0.000 0.000 0.301 1326 A C -0.153 177.428 177.584 -0.005 0.000 1.041 1326 A CA -0.551 51.434 52.037 -0.088 0.000 0.711 1326 A CB 0.944 19.916 19.000 -0.047 0.000 1.240 1326 A HN 1.352 nan 8.150 nan 0.000 0.420 1327 R N 1.691 122.201 120.500 0.016 0.000 2.608 1327 R HA 0.731 5.071 4.340 0.000 0.000 0.255 1327 R C -0.346 175.982 176.300 0.048 0.000 1.086 1327 R CA -0.742 55.378 56.100 0.033 0.000 1.125 1327 R CB 0.400 30.711 30.300 0.019 0.000 1.193 1327 R HN 0.504 nan 8.270 nan 0.000 0.553 1328 R N -0.943 119.582 120.500 0.043 0.000 3.516 1328 R HA -0.110 4.230 4.340 0.000 0.000 0.271 1328 R C -0.712 175.615 176.300 0.045 0.000 1.098 1328 R CA 0.571 56.693 56.100 0.037 0.000 0.732 1328 R CB -2.661 27.655 30.300 0.026 0.000 1.152 1328 R HN 0.527 nan 8.270 nan 0.000 0.455 1329 V N 1.510 121.464 119.914 0.067 0.000 2.572 1329 V HA 0.035 4.155 4.120 0.000 0.000 0.291 1329 V C 1.492 177.605 176.094 0.031 0.000 1.039 1329 V CA -0.129 62.215 62.300 0.073 0.000 1.055 1329 V CB 1.166 33.069 31.823 0.134 0.000 0.969 1329 V HN 0.148 nan 8.190 nan 0.000 0.482 1330 K N 4.139 124.545 120.400 0.010 0.000 2.484 1330 K HA -0.026 4.295 4.320 0.000 0.000 0.280 1330 K C 1.377 177.968 176.600 -0.015 0.000 1.013 1330 K CA 0.091 56.374 56.287 -0.006 0.000 1.029 1330 K CB 0.321 32.810 32.500 -0.017 0.000 0.902 1330 K HN 0.710 nan 8.250 nan 0.000 0.481 1331 K N 2.299 122.692 120.400 -0.010 0.000 2.113 1331 K HA -0.219 4.102 4.320 0.000 0.000 0.208 1331 K C 1.863 178.446 176.600 -0.028 0.000 1.047 1331 K CA 2.026 58.304 56.287 -0.014 0.000 0.928 1331 K CB -0.139 32.356 32.500 -0.008 0.000 0.716 1331 K HN 0.619 nan 8.250 nan 0.000 0.446 1332 S N 0.652 116.333 115.700 -0.031 0.000 2.368 1332 S HA -0.156 4.314 4.470 0.000 0.000 0.225 1332 S C 1.349 175.911 174.600 -0.062 0.000 1.030 1332 S CA 1.735 59.911 58.200 -0.040 0.000 0.999 1332 S CB -0.340 62.839 63.200 -0.036 0.000 0.844 1332 S HN 0.372 nan 8.310 nan 0.000 0.459 1333 D N 0.858 121.214 120.400 -0.074 0.000 2.144 1333 D HA -0.034 4.606 4.640 0.000 0.000 0.200 1333 D C 1.975 178.182 176.300 -0.155 0.000 0.978 1333 D CA 0.877 54.805 54.000 -0.120 0.000 0.833 1333 D CB -0.235 40.492 40.800 -0.121 0.000 0.961 1333 D HN 0.375 nan 8.370 nan 0.000 0.470 1334 M N 0.476 120.012 119.600 -0.106 0.000 2.159 1334 M HA -0.089 4.392 4.480 0.000 0.000 0.263 1334 M C 1.881 178.131 176.300 -0.084 0.000 1.063 1334 M CA 1.195 56.439 55.300 -0.093 0.000 1.110 1334 M CB -0.735 31.845 32.600 -0.034 0.000 1.374 1334 M HN 0.111 nan 8.290 nan 0.000 0.411 1335 E N -0.003 120.157 120.200 -0.067 0.000 2.107 1335 E HA -0.135 4.215 4.350 0.000 0.000 0.191 1335 E C 2.011 178.571 176.600 -0.068 0.000 0.982 1335 E CA 0.824 57.191 56.400 -0.054 0.000 0.809 1335 E CB 0.021 29.697 29.700 -0.040 0.000 0.756 1335 E HN 0.499 nan 8.360 nan 0.000 0.459 1336 K N 0.534 120.881 120.400 -0.088 0.000 2.148 1336 K HA -0.059 4.261 4.320 0.000 0.000 0.204 1336 K C 2.108 178.638 176.600 -0.117 0.000 1.050 1336 K CA 0.639 56.868 56.287 -0.095 0.000 0.942 1336 K CB 0.030 32.468 32.500 -0.104 0.000 0.724 1336 K HN 0.088 nan 8.250 nan 0.000 0.446 1337 L N 0.367 121.493 121.223 -0.161 0.000 2.093 1337 L HA -0.148 4.192 4.340 0.000 0.000 0.208 1337 L C 2.545 179.355 176.870 -0.101 0.000 1.085 1337 L CA 0.995 55.722 54.840 -0.188 0.000 0.755 1337 L CB -0.491 41.370 42.059 -0.329 0.000 0.904 1337 L HN 0.183 nan 8.230 nan 0.000 0.435 1338 A N 0.227 123.003 122.820 -0.073 0.000 1.877 1338 A HA -0.212 4.108 4.320 0.000 0.000 0.216 1338 A C 2.323 179.891 177.584 -0.026 0.000 1.186 1338 A CA 1.686 53.702 52.037 -0.035 0.000 0.620 1338 A CB -0.300 18.685 19.000 -0.026 0.000 0.822 1338 A HN 0.316 nan 8.150 nan 0.000 0.443 1339 K N -0.436 119.943 120.400 -0.035 0.000 2.103 1339 K HA 0.068 4.388 4.320 0.000 0.000 0.204 1339 K C 2.340 178.923 176.600 -0.028 0.000 1.052 1339 K CA 0.937 57.208 56.287 -0.026 0.000 0.945 1339 K CB -0.256 32.224 32.500 -0.032 0.000 0.722 1339 K HN 0.426 nan 8.250 nan 0.000 0.443 1340 A N 1.345 124.139 122.820 -0.044 0.000 1.840 1340 A HA -0.146 4.174 4.320 0.000 0.000 0.214 1340 A C 2.329 179.901 177.584 -0.021 0.000 1.198 1340 A CA 2.213 54.223 52.037 -0.045 0.000 0.608 1340 A CB -1.098 17.866 19.000 -0.059 0.000 0.839 1340 A HN 0.437 nan 8.150 nan 0.000 0.443 1341 T N -4.156 110.389 114.554 -0.016 0.000 3.043 1341 T HA 0.356 4.706 4.350 0.000 0.000 0.263 1341 T C 1.424 176.137 174.700 0.021 0.000 1.094 1341 T CA 1.245 63.350 62.100 0.009 0.000 1.127 1341 T CB -0.155 68.723 68.868 0.017 0.000 0.905 1341 T HN 1.853 nan 8.240 nan 0.000 0.490 1342 G N 1.349 110.158 108.800 0.014 0.000 2.137 1342 G HA2 -0.000 3.960 3.960 0.000 0.000 0.237 1342 G HA3 -0.000 3.960 3.960 0.000 0.000 0.237 1342 G C 0.220 175.131 174.900 0.020 0.000 1.002 1342 G CA -0.039 45.074 45.100 0.022 0.000 0.702 1342 G HN 1.175 nan 8.290 nan 0.000 0.515 1343 A N -0.386 122.444 122.820 0.016 0.000 2.407 1343 A HA 0.623 4.943 4.320 0.000 0.000 0.248 1343 A C 0.418 178.012 177.584 0.016 0.000 1.082 1343 A CA 0.375 52.425 52.037 0.023 0.000 0.785 1343 A CB 0.475 19.494 19.000 0.032 0.000 1.020 1343 A HN 0.773 nan 8.150 nan 0.000 0.489 1344 N N 1.218 119.931 118.700 0.021 0.000 2.421 1344 N HA 0.371 5.111 4.740 0.000 0.000 0.285 1344 N C -0.879 174.643 175.510 0.019 0.000 1.027 1344 N CA -0.364 52.696 53.050 0.017 0.000 0.918 1344 N CB 1.307 39.804 38.487 0.016 0.000 1.152 1344 N HN 0.281 nan 8.380 nan 0.000 0.485 1345 V N 4.901 124.823 119.914 0.014 0.000 2.446 1345 V HA 0.180 4.300 4.120 0.000 0.000 0.276 1345 V C 0.257 176.361 176.094 0.018 0.000 1.030 1345 V CA -0.086 62.224 62.300 0.016 0.000 1.033 1345 V CB -0.269 31.559 31.823 0.008 0.000 0.993 1345 V HN 0.514 nan 8.190 nan 0.000 0.477 1346 I N 4.011 124.595 120.570 0.024 0.000 2.474 1346 I HA 0.455 4.625 4.170 0.000 0.000 0.294 1346 I C 0.976 177.106 176.117 0.022 0.000 1.005 1346 I CA -0.374 60.939 61.300 0.022 0.000 1.113 1346 I CB 1.477 39.491 38.000 0.023 0.000 1.289 1346 I HN 0.602 nan 8.210 nan 0.000 0.436 1347 A N 5.487 128.317 122.820 0.018 0.000 1.840 1347 A HA 0.360 4.680 4.320 0.000 0.000 0.214 1347 A C 1.109 178.704 177.584 0.018 0.000 1.198 1347 A CA 1.112 53.160 52.037 0.017 0.000 0.608 1347 A CB -0.155 18.853 19.000 0.014 0.000 0.839 1347 A HN 0.732 nan 8.150 nan 0.000 0.443 1348 A N -1.102 121.728 122.820 0.017 0.000 2.312 1348 A HA 0.651 4.971 4.320 0.000 0.000 0.328 1348 A C 0.824 178.418 177.584 0.016 0.000 1.158 1348 A CA -0.571 51.476 52.037 0.016 0.000 0.821 1348 A CB 0.400 19.408 19.000 0.013 0.000 1.170 1348 A HN 0.347 nan 8.150 nan 0.000 0.490 1349 I N 1.483 122.063 120.570 0.016 0.000 2.226 1349 I HA -0.287 3.883 4.170 0.000 0.000 0.245 1349 I C 2.780 178.904 176.117 0.012 0.000 1.100 1349 I CA 1.750 63.059 61.300 0.015 0.000 1.374 1349 I CB -0.270 37.738 38.000 0.015 0.000 1.057 1349 I HN 0.761 nan 8.210 nan 0.000 0.413 1350 A N 0.728 123.554 122.820 0.010 0.000 1.978 1350 A HA -0.183 4.137 4.320 0.000 0.000 0.220 1350 A C 2.447 180.035 177.584 0.008 0.000 1.170 1350 A CA 1.869 53.910 52.037 0.007 0.000 0.636 1350 A CB -0.716 18.288 19.000 0.006 0.000 0.810 1350 A HN 0.457 nan 8.150 nan 0.000 0.448 1351 A N -0.744 122.081 122.820 0.010 0.000 2.168 1351 A HA 0.308 4.628 4.320 0.000 0.000 0.215 1351 A C 0.991 178.582 177.584 0.011 0.000 1.152 1351 A CA -0.024 52.019 52.037 0.010 0.000 0.716 1351 A CB -0.466 18.541 19.000 0.011 0.000 0.794 1351 A HN 0.460 nan 8.150 nan 0.000 0.465 1352 L N 1.455 122.685 121.223 0.013 0.000 2.490 1352 L HA 0.214 4.554 4.340 0.000 0.000 0.274 1352 L C 0.668 177.544 176.870 0.011 0.000 1.201 1352 L CA 0.253 55.101 54.840 0.014 0.000 0.869 1352 L CB 0.569 42.638 42.059 0.015 0.000 1.123 1352 L HN 0.491 nan 8.230 nan 0.000 0.484 1353 S N 1.207 116.914 115.700 0.013 0.000 2.625 1353 S HA 0.569 5.039 4.470 0.000 0.000 0.271 1353 S C 0.357 174.964 174.600 0.013 0.000 1.161 1353 S CA -0.291 57.915 58.200 0.011 0.000 0.820 1353 S CB 1.520 64.725 63.200 0.009 0.000 1.137 1353 S HN 0.602 nan 8.310 nan 0.000 0.470 1354 A N 0.571 123.398 122.820 0.011 0.000 1.978 1354 A HA -0.133 4.187 4.320 0.000 0.000 0.220 1354 A C 2.057 179.650 177.584 0.014 0.000 1.170 1354 A CA 2.023 54.068 52.037 0.013 0.000 0.636 1354 A CB -1.110 17.896 19.000 0.010 0.000 0.810 1354 A HN 0.901 nan 8.150 nan 0.000 0.448 1355 Q N -0.794 119.013 119.800 0.012 0.000 2.369 1355 Q HA -0.144 4.196 4.340 0.000 0.000 0.206 1355 Q C 0.533 176.542 176.000 0.015 0.000 0.963 1355 Q CA 1.292 57.103 55.803 0.013 0.000 0.894 1355 Q CB 0.007 28.751 28.738 0.010 0.000 0.965 1355 Q HN 0.610 nan 8.270 nan 0.000 0.475 1356 D N -0.147 120.263 120.400 0.017 0.000 2.354 1356 D HA 0.079 4.719 4.640 0.000 0.000 0.209 1356 D C 0.122 176.437 176.300 0.025 0.000 1.015 1356 D CA 0.211 54.223 54.000 0.019 0.000 0.867 1356 D CB 0.392 41.203 40.800 0.019 0.000 0.933 1356 D HN 0.272 nan 8.370 nan 0.000 0.520 1357 L N 0.706 121.945 121.223 0.027 0.000 2.395 1357 L HA 0.397 4.737 4.340 0.000 0.000 0.269 1357 L C 1.194 178.084 176.870 0.034 0.000 1.133 1357 L CA -0.502 54.358 54.840 0.034 0.000 0.812 1357 L CB 1.204 43.282 42.059 0.032 0.000 1.125 1357 L HN -0.138 nan 8.230 nan 0.000 0.452 1358 G N 0.531 109.357 108.800 0.043 0.000 2.491 1358 G HA2 0.499 4.459 3.960 0.000 0.000 0.327 1358 G HA3 0.499 4.459 3.960 0.000 0.000 0.327 1358 G C -1.341 173.587 174.900 0.046 0.000 1.189 1358 G CA -0.424 44.701 45.100 0.041 0.000 0.956 1358 G HN 0.519 nan 8.290 nan 0.000 0.491 1359 D N -0.327 120.099 120.400 0.042 0.000 2.362 1359 D HA 0.657 5.297 4.640 0.000 0.000 0.247 1359 D C -0.269 176.059 176.300 0.046 0.000 1.050 1359 D CA 0.058 54.084 54.000 0.043 0.000 0.839 1359 D CB 1.979 42.801 40.800 0.037 0.000 1.283 1359 D HN 0.590 nan 8.370 nan 0.000 0.477 1360 A N 0.425 123.276 122.820 0.051 0.000 2.486 1360 A HA 0.649 4.969 4.320 0.000 0.000 0.300 1360 A C 1.001 178.614 177.584 0.049 0.000 1.048 1360 A CA -0.407 51.662 52.037 0.053 0.000 0.696 1360 A CB 1.670 20.712 19.000 0.071 0.000 1.278 1360 A HN 0.487 nan 8.150 nan 0.000 0.405 1361 G N 0.180 109.006 108.800 0.044 0.000 2.402 1361 G HA2 0.312 4.272 3.960 0.000 0.000 0.216 1361 G HA3 0.312 4.272 3.960 0.000 0.000 0.216 1361 G C 0.279 175.203 174.900 0.040 0.000 1.162 1361 G CA 1.659 46.782 45.100 0.038 0.000 0.777 1361 G HN 1.177 nan 8.290 nan 0.000 0.539 1362 L N -0.156 121.098 121.223 0.051 0.000 2.493 1362 L HA 0.639 4.979 4.340 0.000 0.000 0.265 1362 L C -1.413 175.507 176.870 0.083 0.000 0.954 1362 L CA -0.800 54.073 54.840 0.055 0.000 0.844 1362 L CB 2.545 44.630 42.059 0.043 0.000 1.302 1362 L HN -0.133 nan 8.230 nan 0.000 0.405 1363 V N 4.220 124.184 119.914 0.084 0.000 2.407 1363 V HA 0.637 4.758 4.120 0.000 0.000 0.291 1363 V C -0.535 175.617 176.094 0.096 0.000 1.018 1363 V CA -0.440 61.929 62.300 0.114 0.000 0.842 1363 V CB 1.455 33.347 31.823 0.114 0.000 0.996 1363 V HN 0.827 nan 8.190 nan 0.000 0.426 1364 E N 3.187 123.467 120.200 0.133 0.000 2.292 1364 E HA 0.412 4.762 4.350 0.000 0.000 0.272 1364 E C -1.038 175.658 176.600 0.160 0.000 0.881 1364 E CA -0.656 55.805 56.400 0.102 0.000 0.754 1364 E CB 2.194 31.922 29.700 0.047 0.000 1.201 1364 E HN 0.751 nan 8.360 nan 0.000 0.425 1365 E N 4.310 124.575 120.200 0.108 0.000 2.130 1365 E HA 0.261 4.611 4.350 0.000 0.000 0.284 1365 E C -0.898 175.761 176.600 0.097 0.000 1.018 1365 E CA -0.286 56.189 56.400 0.125 0.000 0.817 1365 E CB 0.698 30.442 29.700 0.072 0.000 1.078 1365 E HN 0.354 nan 8.360 nan 0.000 0.396 1366 R N 3.427 124.021 120.500 0.158 0.000 2.807 1366 R HA 0.381 4.721 4.340 0.000 0.000 0.276 1366 R C -0.740 175.631 176.300 0.118 0.000 0.979 1366 R CA -0.964 55.178 56.100 0.070 0.000 0.928 1366 R CB 1.880 32.116 30.300 -0.106 0.000 1.191 1366 R HN 0.321 nan 8.270 nan 0.000 0.471 1367 K N 2.489 122.923 120.400 0.057 0.000 2.262 1367 K HA 0.335 4.655 4.320 0.000 0.000 0.282 1367 K C -0.483 176.157 176.600 0.066 0.000 1.066 1367 K CA -0.328 55.995 56.287 0.061 0.000 0.901 1367 K CB 0.793 33.311 32.500 0.031 0.000 1.089 1367 K HN 0.255 nan 8.250 nan 0.000 0.476 1368 I N 2.523 123.154 120.570 0.100 0.000 2.359 1368 I HA 0.051 4.221 4.170 0.000 0.000 0.284 1368 I C 0.700 176.854 176.117 0.061 0.000 1.018 1368 I CA -0.179 61.182 61.300 0.101 0.000 1.173 1368 I CB 0.656 38.761 38.000 0.175 0.000 1.326 1368 I HN 0.727 nan 8.210 nan 0.000 0.462 1369 S N 4.551 120.275 115.700 0.041 0.000 3.635 1369 S HA -0.212 4.258 4.470 0.000 0.000 0.328 1369 S C 1.389 176.002 174.600 0.022 0.000 1.135 1369 S CA 1.543 59.759 58.200 0.025 0.000 0.942 1369 S CB -1.046 62.167 63.200 0.022 0.000 0.930 1369 S HN 1.472 nan 8.310 nan 0.000 0.512 1370 G N -0.049 108.766 108.800 0.025 0.000 2.363 1370 G HA2 -0.283 3.677 3.960 0.000 0.000 0.238 1370 G HA3 -0.283 3.677 3.960 0.000 0.000 0.238 1370 G C -0.295 174.622 174.900 0.028 0.000 1.062 1370 G CA 0.306 45.419 45.100 0.022 0.000 0.629 1370 G HN 0.686 nan 8.290 nan 0.000 0.514 1371 D N 1.893 122.312 120.400 0.032 0.000 2.425 1371 D HA 0.460 5.100 4.640 0.000 0.000 0.247 1371 D C 1.020 177.352 176.300 0.053 0.000 1.147 1371 D CA 0.823 54.844 54.000 0.034 0.000 0.879 1371 D CB 1.275 42.092 40.800 0.027 0.000 1.179 1371 D HN 0.652 nan 8.370 nan 0.000 0.456 1372 S N 2.389 118.117 115.700 0.048 0.000 2.488 1372 S HA 0.461 4.931 4.470 0.000 0.000 0.278 1372 S C 0.129 174.771 174.600 0.070 0.000 1.259 1372 S CA -0.610 57.628 58.200 0.063 0.000 1.061 1372 S CB 0.502 63.730 63.200 0.046 0.000 0.910 1372 S HN 0.365 nan 8.310 nan 0.000 0.491 1373 M N 2.901 122.570 119.600 0.115 0.000 2.550 1373 M HA 0.517 4.997 4.480 0.000 0.000 0.292 1373 M C -1.094 175.296 176.300 0.150 0.000 1.221 1373 M CA -0.576 54.775 55.300 0.084 0.000 0.873 1373 M CB 2.283 34.907 32.600 0.040 0.000 1.727 1373 M HN 0.549 nan 8.290 nan 0.000 0.459 1374 I N 1.781 122.384 120.570 0.056 0.000 2.362 1374 I HA 0.367 4.538 4.170 0.000 0.000 0.289 1374 I C -1.332 174.794 176.117 0.016 0.000 0.994 1374 I CA -0.389 60.995 61.300 0.140 0.000 1.158 1374 I CB 1.067 39.172 38.000 0.177 0.000 1.315 1374 I HN 0.467 nan 8.210 nan 0.000 0.451 1375 F N 6.114 126.102 119.950 0.062 0.000 2.334 1375 F HA 0.333 4.860 4.527 0.000 0.000 0.367 1375 F C 0.130 175.965 175.800 0.060 0.000 1.115 1375 F CA -0.676 57.351 58.000 0.046 0.000 1.116 1375 F CB 1.226 40.243 39.000 0.028 0.000 1.230 1375 F HN 0.037 nan 8.300 nan 0.000 0.484 1376 V N 4.651 124.655 119.914 0.149 0.000 2.304 1376 V HA 0.315 4.435 4.120 0.000 0.000 0.269 1376 V C -0.136 176.013 176.094 0.092 0.000 1.036 1376 V CA -0.516 61.858 62.300 0.124 0.000 0.840 1376 V CB 0.343 32.217 31.823 0.084 0.000 1.036 1376 V HN 0.793 nan 8.190 nan 0.000 0.466 1377 E N 3.159 123.423 120.200 0.107 0.000 2.423 1377 E HA 0.609 4.959 4.350 0.000 0.000 0.269 1377 E C -0.726 175.910 176.600 0.060 0.000 0.948 1377 E CA -0.856 55.596 56.400 0.086 0.000 0.802 1377 E CB 1.568 31.338 29.700 0.117 0.000 1.339 1377 E HN 0.206 nan 8.360 nan 0.000 0.445 1378 E N -0.794 119.433 120.200 0.045 0.000 2.416 1378 E HA -0.150 4.200 4.350 0.000 0.000 0.249 1378 E C -0.725 175.894 176.600 0.032 0.000 1.124 1378 E CA 0.570 56.990 56.400 0.034 0.000 0.732 1378 E CB -2.290 27.430 29.700 0.034 0.000 1.286 1378 E HN 0.567 nan 8.360 nan 0.000 0.394 1379 C N 0.640 119.955 119.300 0.026 0.000 2.676 1379 C HA 0.068 4.528 4.460 0.000 0.000 0.416 1379 C C 2.282 177.291 174.990 0.031 0.000 1.299 1379 C CA -0.156 58.876 59.018 0.024 0.000 2.048 1379 C CB 0.450 28.194 27.740 0.006 0.000 2.713 1379 C HN 0.410 nan 8.230 nan 0.000 0.624 1380 K N 0.629 121.058 120.400 0.047 0.000 1.969 1380 K HA -0.145 4.175 4.320 0.000 0.000 0.216 1380 K C 0.601 177.270 176.600 0.115 0.000 1.048 1380 K CA 1.714 58.043 56.287 0.070 0.000 0.948 1380 K CB -0.124 32.418 32.500 0.070 0.000 0.726 1380 K HN 0.749 nan 8.250 nan 0.000 0.442 1381 H N 0.621 119.695 119.070 0.006 0.000 2.569 1381 H HA 0.217 4.773 4.556 0.000 0.000 0.247 1381 H C -2.676 172.653 175.328 0.001 0.000 1.346 1381 H CA -2.319 53.732 56.048 0.004 0.000 1.502 1381 H CB 0.539 30.303 29.762 0.003 0.000 1.512 1381 H HN -0.020 nan 8.280 nan 0.000 0.502 1382 P HA 0.075 nan 4.420 nan 0.000 0.271 1382 P C 0.317 177.478 177.300 -0.232 0.000 1.220 1382 P CA -0.264 62.747 63.100 -0.147 0.000 0.768 1382 P CB 1.668 33.309 31.700 -0.099 0.000 0.848 1383 K N 1.618 121.939 120.400 -0.131 0.000 2.374 1383 K HA 0.317 4.637 4.320 0.000 0.000 0.196 1383 K C -0.040 176.515 176.600 -0.075 0.000 1.023 1383 K CA -0.081 56.145 56.287 -0.102 0.000 1.103 1383 K CB 0.361 32.839 32.500 -0.037 0.000 0.848 1383 K HN 0.576 nan 8.250 nan 0.000 0.528 1384 A N 0.955 123.730 122.820 -0.075 0.000 2.427 1384 A HA 0.528 4.848 4.320 0.000 0.000 0.298 1384 A C -0.941 176.604 177.584 -0.065 0.000 1.036 1384 A CA -0.740 51.259 52.037 -0.063 0.000 0.701 1384 A CB 1.467 20.430 19.000 -0.061 0.000 1.250 1384 A HN 0.042 nan 8.150 nan 0.000 0.412 1385 V N -0.795 119.085 119.914 -0.057 0.000 3.074 1385 V HA 0.969 5.089 4.120 0.000 0.000 0.314 1385 V C -0.429 175.636 176.094 -0.049 0.000 1.117 1385 V CA -0.612 61.659 62.300 -0.049 0.000 1.014 1385 V CB 1.722 33.521 31.823 -0.041 0.000 1.057 1385 V HN 0.826 nan 8.190 nan 0.000 0.438 1386 T N 3.977 118.504 114.554 -0.045 0.000 2.841 1386 T HA 0.552 4.902 4.350 0.000 0.000 0.285 1386 T C -0.572 174.109 174.700 -0.032 0.000 0.991 1386 T CA -0.208 61.860 62.100 -0.053 0.000 0.966 1386 T CB 1.358 70.173 68.868 -0.089 0.000 0.962 1386 T HN 0.956 nan 8.240 nan 0.000 0.438 1387 M N 4.625 124.208 119.600 -0.028 0.000 2.101 1387 M HA 0.544 5.024 4.480 0.000 0.000 0.340 1387 M C -1.421 174.873 176.300 -0.010 0.000 1.057 1387 M CA -1.087 54.207 55.300 -0.009 0.000 0.984 1387 M CB 0.564 33.159 32.600 -0.008 0.000 1.560 1387 M HN 0.484 nan 8.290 nan 0.000 0.435 1388 L N 7.059 128.289 121.223 0.013 0.000 2.257 1388 L HA 0.518 4.858 4.340 0.000 0.000 0.290 1388 L C -1.386 175.502 176.870 0.030 0.000 1.044 1388 L CA -0.034 54.819 54.840 0.022 0.000 0.810 1388 L CB 0.806 42.908 42.059 0.071 0.000 1.193 1388 L HN 0.674 nan 8.230 nan 0.000 0.425 1389 I N 5.965 126.545 120.570 0.017 0.000 2.331 1389 I HA 0.480 4.651 4.170 0.000 0.000 0.292 1389 I C 0.163 176.294 176.117 0.022 0.000 0.998 1389 I CA -0.074 61.236 61.300 0.017 0.000 1.267 1389 I CB 0.686 38.692 38.000 0.009 0.000 1.386 1389 I HN 0.522 nan 8.210 nan 0.000 0.476 1390 R N 3.993 124.507 120.500 0.024 0.000 2.873 1390 R HA 0.944 5.284 4.340 0.000 0.000 0.264 1390 R C -0.231 176.080 176.300 0.019 0.000 1.026 1390 R CA -1.153 54.961 56.100 0.024 0.000 1.002 1390 R CB 1.797 32.114 30.300 0.028 0.000 1.174 1390 R HN 0.821 nan 8.270 nan 0.000 0.488 1391 G N -0.872 107.938 108.800 0.017 0.000 2.340 1391 G HA2 0.061 4.021 3.960 0.000 0.000 0.298 1391 G HA3 0.061 4.021 3.960 0.000 0.000 0.298 1391 G C -0.009 174.900 174.900 0.015 0.000 1.498 1391 G CA -0.560 44.550 45.100 0.017 0.000 0.847 1391 G HN 0.303 nan 8.290 nan 0.000 0.594 1392 T N 0.372 114.936 114.554 0.017 0.000 2.915 1392 T HA 0.200 4.550 4.350 0.000 0.000 0.269 1392 T C 0.865 175.575 174.700 0.015 0.000 1.071 1392 T CA 2.027 64.137 62.100 0.016 0.000 1.132 1392 T CB -0.162 68.717 68.868 0.019 0.000 0.878 1392 T HN 0.666 nan 8.240 nan 0.000 0.479 1393 T N -0.172 114.392 114.554 0.017 0.000 2.889 1393 T HA 0.280 4.630 4.350 0.000 0.000 0.315 1393 T C 0.604 175.297 174.700 -0.012 0.000 1.291 1393 T CA -0.746 61.359 62.100 0.009 0.000 1.028 1393 T CB 2.550 71.441 68.868 0.038 0.000 1.235 1393 T HN -0.081 nan 8.240 nan 0.000 0.491 1394 E N 0.798 120.955 120.200 -0.073 0.000 2.086 1394 E HA -0.256 4.094 4.350 0.000 0.000 0.200 1394 E C 1.543 178.062 176.600 -0.136 0.000 1.012 1394 E CA 2.053 58.367 56.400 -0.144 0.000 0.812 1394 E CB -0.127 29.419 29.700 -0.258 0.000 0.743 1394 E HN 0.626 nan 8.360 nan 0.000 0.453 1395 H N -0.935 118.138 119.070 0.004 0.000 2.495 1395 H HA 0.014 4.570 4.556 0.000 0.000 0.287 1395 H C 2.123 177.453 175.328 0.004 0.000 1.033 1395 H CA 1.213 57.262 56.048 0.003 0.000 1.307 1395 H CB -0.010 29.753 29.762 0.002 0.000 1.401 1395 H HN 0.120 nan 8.280 nan 0.000 0.555 1396 V N 2.035 122.014 119.914 0.109 0.000 2.283 1396 V HA -0.211 3.909 4.120 0.000 0.000 0.243 1396 V C 2.673 178.793 176.094 0.043 0.000 1.039 1396 V CA 1.745 64.083 62.300 0.064 0.000 1.016 1396 V CB -0.571 31.280 31.823 0.046 0.000 0.650 1396 V HN 0.408 nan 8.190 nan 0.000 0.449 1397 I N -1.017 119.568 120.570 0.026 0.000 2.614 1397 I HA -0.161 4.009 4.170 0.000 0.000 0.258 1397 I C 2.256 178.382 176.117 0.016 0.000 1.189 1397 I CA 1.904 63.213 61.300 0.015 0.000 1.462 1397 I CB -0.520 37.483 38.000 0.003 0.000 1.092 1397 I HN 0.427 nan 8.210 nan 0.000 0.442 1398 E N 1.863 122.079 120.200 0.025 0.000 2.047 1398 E HA -0.293 4.057 4.350 0.000 0.000 0.191 1398 E C 2.210 178.834 176.600 0.040 0.000 0.987 1398 E CA 1.386 57.807 56.400 0.035 0.000 0.799 1398 E CB -0.100 29.642 29.700 0.069 0.000 0.752 1398 E HN 0.681 nan 8.360 nan 0.000 0.449 1399 E N -0.173 120.057 120.200 0.049 0.000 2.106 1399 E HA -0.146 4.204 4.350 0.000 0.000 0.192 1399 E C 2.069 178.684 176.600 0.025 0.000 0.984 1399 E CA 1.091 57.513 56.400 0.036 0.000 0.806 1399 E CB 0.245 29.968 29.700 0.037 0.000 0.750 1399 E HN 0.168 nan 8.360 nan 0.000 0.458 1400 V N 1.039 120.967 119.914 0.024 0.000 2.379 1400 V HA -0.209 3.911 4.120 0.000 0.000 0.245 1400 V C 2.428 178.529 176.094 0.013 0.000 1.044 1400 V CA 1.630 63.941 62.300 0.018 0.000 1.036 1400 V CB -0.653 31.181 31.823 0.018 0.000 0.664 1400 V HN 0.408 nan 8.190 nan 0.000 0.453 1401 A N 0.550 123.376 122.820 0.011 0.000 1.908 1401 A HA -0.292 4.028 4.320 0.000 0.000 0.218 1401 A C 2.304 179.892 177.584 0.005 0.000 1.181 1401 A CA 2.370 54.410 52.037 0.005 0.000 0.627 1401 A CB -0.537 18.464 19.000 0.002 0.000 0.818 1401 A HN 0.482 nan 8.150 nan 0.000 0.445 1402 R N 0.083 120.589 120.500 0.010 0.000 2.075 1402 R HA 0.010 4.350 4.340 0.000 0.000 0.232 1402 R C 2.152 178.457 176.300 0.008 0.000 1.126 1402 R CA 1.921 58.026 56.100 0.009 0.000 0.963 1402 R CB -0.842 29.465 30.300 0.012 0.000 0.858 1402 R HN 0.377 nan 8.270 nan 0.000 0.435 1403 A N 0.200 123.027 122.820 0.011 0.000 1.877 1403 A HA -0.122 4.198 4.320 0.000 0.000 0.216 1403 A C 2.241 179.830 177.584 0.008 0.000 1.186 1403 A CA 1.983 54.027 52.037 0.011 0.000 0.620 1403 A CB -0.952 18.057 19.000 0.015 0.000 0.822 1403 A HN 0.333 nan 8.150 nan 0.000 0.443 1404 V N -2.324 117.594 119.914 0.007 0.000 2.871 1404 V HA -0.130 3.990 4.120 0.000 0.000 0.256 1404 V C 1.927 178.021 176.094 0.001 0.000 1.082 1404 V CA 2.058 64.361 62.300 0.004 0.000 1.105 1404 V CB -0.709 31.116 31.823 0.003 0.000 0.713 1404 V HN 0.542 nan 8.190 nan 0.000 0.473 1405 D N 1.526 121.926 120.400 0.000 0.000 2.123 1405 D HA -0.258 4.382 4.640 0.000 0.000 0.196 1405 D C 1.602 177.902 176.300 -0.001 0.000 0.992 1405 D CA 2.262 56.261 54.000 -0.002 0.000 0.833 1405 D CB -0.069 40.730 40.800 -0.002 0.000 0.954 1405 D HN 0.612 nan 8.370 nan 0.000 0.455 1406 D N -0.033 120.367 120.400 0.002 0.000 2.149 1406 D HA -0.017 4.623 4.640 0.000 0.000 0.201 1406 D C 2.012 178.314 176.300 0.003 0.000 0.972 1406 D CA 1.203 55.205 54.000 0.003 0.000 0.835 1406 D CB -0.240 40.563 40.800 0.005 0.000 0.966 1406 D HN 0.240 nan 8.370 nan 0.000 0.476 1407 A N 0.407 123.229 122.820 0.004 0.000 1.933 1407 A HA -0.144 4.177 4.320 0.000 0.000 0.218 1407 A C 2.335 179.919 177.584 0.001 0.000 1.175 1407 A CA 1.064 53.103 52.037 0.004 0.000 0.628 1407 A CB -0.788 18.214 19.000 0.004 0.000 0.814 1407 A HN 0.149 nan 8.150 nan 0.000 0.444 1408 V N -0.075 119.838 119.914 -0.001 0.000 2.343 1408 V HA -0.182 3.938 4.120 0.000 0.000 0.247 1408 V C 2.805 178.898 176.094 -0.003 0.000 1.051 1408 V CA 1.887 64.185 62.300 -0.004 0.000 1.036 1408 V CB -1.436 30.383 31.823 -0.007 0.000 0.654 1408 V HN 0.618 nan 8.190 nan 0.000 0.451 1409 G N 0.549 109.348 108.800 -0.002 0.000 2.446 1409 G HA2 -0.231 3.729 3.960 0.000 0.000 0.217 1409 G HA3 -0.231 3.729 3.960 0.000 0.000 0.217 1409 G C 1.694 176.594 174.900 0.000 0.000 1.168 1409 G CA 1.672 46.771 45.100 -0.001 0.000 0.771 1409 G HN 0.603 nan 8.290 nan 0.000 0.551 1410 V N -1.721 118.193 119.914 0.001 0.000 2.788 1410 V HA 0.068 4.189 4.120 0.000 0.000 0.251 1410 V C 2.566 178.662 176.094 0.002 0.000 1.068 1410 V CA 1.170 63.472 62.300 0.003 0.000 1.090 1410 V CB -0.182 31.644 31.823 0.005 0.000 0.710 1410 V HN 0.123 nan 8.190 nan 0.000 0.467 1411 V N 1.846 121.761 119.914 0.001 0.000 2.719 1411 V HA 0.077 4.197 4.120 0.000 0.000 0.252 1411 V C 2.783 178.877 176.094 -0.000 0.000 1.065 1411 V CA 1.857 64.157 62.300 0.001 0.000 1.086 1411 V CB -0.819 31.003 31.823 -0.001 0.000 0.700 1411 V HN 0.616 nan 8.190 nan 0.000 0.467 1412 G N -1.233 107.567 108.800 -0.001 0.000 2.421 1412 G HA2 -0.208 3.752 3.960 0.000 0.000 0.217 1412 G HA3 -0.208 3.752 3.960 0.000 0.000 0.217 1412 G C 1.682 176.582 174.900 0.000 0.000 1.143 1412 G CA 1.157 46.256 45.100 -0.001 0.000 0.784 1412 G HN 0.527 nan 8.290 nan 0.000 0.541 1413 C N 0.620 119.921 119.300 0.001 0.000 2.429 1413 C HA -0.013 4.447 4.460 0.000 0.000 0.277 1413 C C 3.184 178.175 174.990 0.002 0.000 1.262 1413 C CA 1.514 60.533 59.018 0.002 0.000 1.733 1413 C CB -0.923 26.819 27.740 0.002 0.000 2.010 1413 C HN 0.414 nan 8.230 nan 0.000 0.483 1414 T N 1.033 115.588 114.554 0.003 0.000 2.915 1414 T HA -0.005 4.346 4.350 0.000 0.000 0.269 1414 T C 1.574 176.276 174.700 0.003 0.000 1.071 1414 T CA 1.061 63.163 62.100 0.003 0.000 1.132 1414 T CB -0.192 68.678 68.868 0.003 0.000 0.878 1414 T HN 0.504 nan 8.240 nan 0.000 0.479 1415 I N 0.528 121.099 120.570 0.003 0.000 2.333 1415 I HA -0.040 4.130 4.170 0.000 0.000 0.246 1415 I C 2.549 178.668 176.117 0.003 0.000 1.106 1415 I CA 1.117 62.419 61.300 0.003 0.000 1.411 1415 I CB -0.163 37.839 38.000 0.003 0.000 1.082 1415 I HN 0.244 nan 8.210 nan 0.000 0.420 1416 E N -0.081 120.121 120.200 0.003 0.000 2.072 1416 E HA -0.142 4.208 4.350 0.000 0.000 0.190 1416 E C 0.508 177.109 176.600 0.003 0.000 0.982 1416 E CA 0.719 57.121 56.400 0.003 0.000 0.803 1416 E CB 0.245 29.946 29.700 0.003 0.000 0.755 1416 E HN 0.191 nan 8.360 nan 0.000 0.453 1417 D N -0.585 119.817 120.400 0.003 0.000 2.454 1417 D HA 0.126 4.766 4.640 0.000 0.000 0.247 1417 D C -0.077 176.225 176.300 0.003 0.000 1.129 1417 D CA -0.302 53.700 54.000 0.003 0.000 0.877 1417 D CB 1.348 42.149 40.800 0.003 0.000 1.082 1417 D HN 0.088 nan 8.370 nan 0.000 0.537 1418 G N 3.209 112.011 108.800 0.003 0.000 3.332 1418 G HA2 0.031 3.991 3.960 0.000 0.000 0.242 1418 G HA3 0.031 3.991 3.960 0.000 0.000 0.242 1418 G C 0.476 175.378 174.900 0.004 0.000 1.276 1418 G CA -0.179 44.923 45.100 0.003 0.000 0.988 1418 G HN 0.204 nan 8.290 nan 0.000 0.517 1419 R N -0.342 120.160 120.500 0.004 0.000 2.562 1419 R HA 0.658 4.998 4.340 0.000 0.000 0.298 1419 R C -0.319 175.984 176.300 0.005 0.000 0.961 1419 R CA -0.639 55.464 56.100 0.005 0.000 0.881 1419 R CB 1.659 31.962 30.300 0.004 0.000 1.159 1419 R HN 0.294 nan 8.270 nan 0.000 0.450 1420 I N -0.918 119.655 120.570 0.007 0.000 3.145 1420 I HA 0.859 5.029 4.170 0.000 0.000 0.313 1420 I C -0.668 175.455 176.117 0.010 0.000 1.122 1420 I CA -1.254 60.051 61.300 0.008 0.000 0.987 1420 I CB 2.249 40.254 38.000 0.008 0.000 1.236 1420 I HN 0.336 nan 8.210 nan 0.000 0.453 1421 V N -0.255 119.666 119.914 0.013 0.000 3.049 1421 V HA 0.826 4.946 4.120 0.000 0.000 0.309 1421 V C 0.018 176.125 176.094 0.021 0.000 1.148 1421 V CA -0.380 61.931 62.300 0.017 0.000 0.990 1421 V CB 1.023 32.856 31.823 0.018 0.000 1.039 1421 V HN 1.178 nan 8.190 nan 0.000 0.430 1422 S N 1.949 117.666 115.700 0.028 0.000 2.576 1422 S HA 0.705 5.175 4.470 0.000 0.000 0.276 1422 S C 0.573 175.192 174.600 0.031 0.000 1.339 1422 S CA 0.178 58.397 58.200 0.032 0.000 1.039 1422 S CB 1.014 64.239 63.200 0.041 0.000 0.902 1422 S HN 1.826 nan 8.310 nan 0.000 0.516 1423 G N 0.147 108.966 108.800 0.031 0.000 2.630 1423 G HA2 0.532 4.492 3.960 0.000 0.000 0.223 1423 G HA3 0.532 4.492 3.960 0.000 0.000 0.223 1423 G C 0.925 175.842 174.900 0.028 0.000 1.434 1423 G CA -0.512 44.604 45.100 0.027 0.000 1.057 1423 G HN 2.055 nan 8.290 nan 0.000 0.570 1424 G N -2.047 106.768 108.800 0.025 0.000 2.153 1424 G HA2 0.221 4.181 3.960 0.000 0.000 0.252 1424 G HA3 0.221 4.181 3.960 0.000 0.000 0.252 1424 G C 1.525 176.423 174.900 -0.003 0.000 0.994 1424 G CA 1.157 46.268 45.100 0.020 0.000 0.698 1424 G HN 2.469 nan 8.290 nan 0.000 0.521 1425 G N -1.158 107.632 108.800 -0.017 0.000 2.168 1425 G HA2 -0.143 3.817 3.960 0.000 0.000 0.263 1425 G HA3 -0.143 3.817 3.960 0.000 0.000 0.263 1425 G C 1.500 176.357 174.900 -0.073 0.000 0.977 1425 G CA 1.767 46.840 45.100 -0.045 0.000 0.659 1425 G HN 1.981 nan 8.290 nan 0.000 0.533 1426 S N 0.086 115.762 115.700 -0.040 0.000 2.382 1426 S HA -0.160 4.311 4.470 0.000 0.000 0.228 1426 S C 2.799 177.337 174.600 -0.105 0.000 1.027 1426 S CA 2.656 60.821 58.200 -0.059 0.000 0.991 1426 S CB -0.593 62.679 63.200 0.120 0.000 0.823 1426 S HN 1.377 nan 8.310 nan 0.000 0.469 1427 T N 0.136 114.674 114.554 -0.027 0.000 2.569 1427 T HA -0.125 4.225 4.350 0.000 0.000 0.263 1427 T C 1.570 176.230 174.700 -0.066 0.000 1.074 1427 T CA 1.679 63.770 62.100 -0.014 0.000 1.176 1427 T CB -1.070 67.795 68.868 -0.004 0.000 0.863 1427 T HN 0.375 nan 8.240 nan 0.000 0.410 1428 E N 0.859 121.011 120.200 -0.080 0.000 2.219 1428 E HA -0.051 4.299 4.350 0.000 0.000 0.198 1428 E C 2.216 178.739 176.600 -0.128 0.000 0.998 1428 E CA 0.738 57.083 56.400 -0.092 0.000 0.818 1428 E CB -0.727 28.915 29.700 -0.096 0.000 0.741 1428 E HN 0.457 nan 8.360 nan 0.000 0.477 1429 V N 0.380 120.164 119.914 -0.216 0.000 2.453 1429 V HA -0.218 3.902 4.120 0.000 0.000 0.247 1429 V C 2.259 178.182 176.094 -0.285 0.000 1.048 1429 V CA 1.825 63.940 62.300 -0.309 0.000 1.049 1429 V CB -0.365 31.144 31.823 -0.524 0.000 0.672 1429 V HN 0.223 nan 8.190 nan 0.000 0.457 1430 E N 0.516 120.554 120.200 -0.269 0.000 2.051 1430 E HA -0.204 4.146 4.350 0.000 0.000 0.192 1430 E C 1.881 178.501 176.600 0.032 0.000 0.991 1430 E CA 1.448 57.883 56.400 0.059 0.000 0.799 1430 E CB -0.324 29.496 29.700 0.201 0.000 0.748 1430 E HN 0.368 nan 8.360 nan 0.000 0.449 1431 L N 0.357 121.578 121.223 -0.003 0.000 2.093 1431 L HA -0.052 4.288 4.340 0.000 0.000 0.208 1431 L C 2.410 179.294 176.870 0.022 0.000 1.085 1431 L CA 1.515 56.363 54.840 0.013 0.000 0.755 1431 L CB -0.879 41.185 42.059 0.010 0.000 0.904 1431 L HN 0.062 nan 8.230 nan 0.000 0.435 1432 S N -1.097 114.598 115.700 -0.009 0.000 2.356 1432 S HA -0.169 4.301 4.470 0.000 0.000 0.223 1432 S C 1.983 176.601 174.600 0.029 0.000 1.032 1432 S CA 1.227 59.428 58.200 0.001 0.000 1.005 1432 S CB -0.183 62.995 63.200 -0.037 0.000 0.867 1432 S HN 0.292 nan 8.310 nan 0.000 0.449 1433 M N 0.993 120.609 119.600 0.027 0.000 2.099 1433 M HA 0.007 4.487 4.480 0.000 0.000 0.262 1433 M C 1.997 178.336 176.300 0.064 0.000 1.067 1433 M CA 1.504 56.833 55.300 0.048 0.000 1.124 1433 M CB -1.167 31.472 32.600 0.064 0.000 1.353 1433 M HN 0.054 nan 8.290 nan 0.000 0.410 1434 K N 0.391 120.830 120.400 0.064 0.000 2.155 1434 K HA 0.072 4.393 4.320 0.000 0.000 0.203 1434 K C 1.960 178.621 176.600 0.101 0.000 1.052 1434 K CA 0.750 57.079 56.287 0.071 0.000 0.948 1434 K CB -0.428 32.101 32.500 0.048 0.000 0.728 1434 K HN 0.268 nan 8.250 nan 0.000 0.448 1435 L N -0.139 121.143 121.223 0.098 0.000 2.240 1435 L HA -0.057 4.283 4.340 0.000 0.000 0.211 1435 L C 2.113 179.094 176.870 0.185 0.000 1.106 1435 L CA 0.849 55.781 54.840 0.153 0.000 0.793 1435 L CB -0.171 41.978 42.059 0.150 0.000 0.927 1435 L HN 0.113 nan 8.230 nan 0.000 0.446 1436 R N 0.141 120.716 120.500 0.125 0.000 2.092 1436 R HA -0.148 4.192 4.340 0.000 0.000 0.231 1436 R C 2.046 178.401 176.300 0.093 0.000 1.119 1436 R CA 1.240 57.399 56.100 0.099 0.000 0.970 1436 R CB -0.171 30.170 30.300 0.068 0.000 0.864 1436 R HN 0.449 nan 8.270 nan 0.000 0.440 1437 E N -0.370 119.892 120.200 0.102 0.000 2.107 1437 E HA -0.200 4.150 4.350 0.000 0.000 0.191 1437 E C 1.581 178.249 176.600 0.113 0.000 0.982 1437 E CA 0.859 57.314 56.400 0.090 0.000 0.809 1437 E CB -0.100 29.652 29.700 0.086 0.000 0.756 1437 E HN 0.298 nan 8.360 nan 0.000 0.459 1438 Y N 1.382 121.694 120.300 0.021 0.000 2.181 1438 Y HA -0.207 4.343 4.550 0.000 0.000 0.288 1438 Y C 2.210 178.119 175.900 0.014 0.000 1.146 1438 Y CA 1.305 59.413 58.100 0.014 0.000 1.164 1438 Y CB -0.395 38.071 38.460 0.010 0.000 0.982 1438 Y HN -0.010 nan 8.280 nan 0.000 0.515 1439 A N -0.141 122.702 122.820 0.037 0.000 1.933 1439 A HA -0.225 4.095 4.320 0.000 0.000 0.218 1439 A C 2.103 179.647 177.584 -0.066 0.000 1.175 1439 A CA 1.884 53.906 52.037 -0.026 0.000 0.628 1439 A CB -0.790 18.246 19.000 0.061 0.000 0.814 1439 A HN 0.501 nan 8.150 nan 0.000 0.444 1440 E N -0.049 120.131 120.200 -0.033 0.000 2.110 1440 E HA -0.076 4.274 4.350 0.000 0.000 0.193 1440 E C 1.932 178.491 176.600 -0.068 0.000 0.988 1440 E CA 1.497 57.877 56.400 -0.032 0.000 0.804 1440 E CB -0.656 29.041 29.700 -0.005 0.000 0.745 1440 E HN 0.444 nan 8.360 nan 0.000 0.458 1441 G N 0.321 109.053 108.800 -0.113 0.000 2.421 1441 G HA2 -0.133 3.827 3.960 0.000 0.000 0.217 1441 G HA3 -0.133 3.827 3.960 0.000 0.000 0.217 1441 G C 1.433 176.221 174.900 -0.187 0.000 1.143 1441 G CA 0.614 45.630 45.100 -0.140 0.000 0.784 1441 G HN 0.201 nan 8.290 nan 0.000 0.541 1442 I N 0.367 120.778 120.570 -0.265 0.000 2.193 1442 I HA 0.005 4.175 4.170 0.000 0.000 0.240 1442 I C 1.704 177.749 176.117 -0.121 0.000 1.084 1442 I CA 1.084 62.244 61.300 -0.234 0.000 1.365 1442 I CB -1.091 36.744 38.000 -0.275 0.000 1.064 1442 I HN 0.298 nan 8.210 nan 0.000 0.410 1443 S N -1.235 114.411 115.700 -0.090 0.000 3.443 1443 S HA -0.117 4.353 4.470 0.000 0.000 0.635 1443 S C 0.766 175.344 174.600 -0.037 0.000 2.555 1443 S CA 1.445 59.615 58.200 -0.051 0.000 2.778 1443 S CB -1.357 61.815 63.200 -0.046 0.000 0.331 1443 S HN 1.427 nan 8.310 nan 0.000 1.765 1444 G N 1.143 109.927 108.800 -0.025 0.000 2.566 1444 G HA2 -0.337 3.623 3.960 0.000 0.000 0.280 1444 G HA3 -0.337 3.623 3.960 0.000 0.000 0.280 1444 G C 0.350 175.245 174.900 -0.007 0.000 1.225 1444 G CA 1.673 46.763 45.100 -0.017 0.000 0.966 1444 G HN 1.869 nan 8.290 nan 0.000 0.560 1445 R N 0.421 120.919 120.500 -0.003 0.000 2.223 1445 R HA 0.322 4.662 4.340 0.000 0.000 0.198 1445 R C 2.044 178.352 176.300 0.013 0.000 0.984 1445 R CA 1.361 57.465 56.100 0.008 0.000 1.018 1445 R CB -0.209 30.099 30.300 0.012 0.000 0.945 1445 R HN 0.640 nan 8.270 nan 0.000 0.479 1446 E N 2.085 122.288 120.200 0.003 0.000 2.204 1446 E HA -0.257 4.093 4.350 0.000 0.000 0.195 1446 E C 1.985 178.597 176.600 0.022 0.000 0.990 1446 E CA 1.616 58.021 56.400 0.008 0.000 0.821 1446 E CB -0.055 29.639 29.700 -0.010 0.000 0.750 1446 E HN 0.653 nan 8.360 nan 0.000 0.477 1447 Q N 0.841 120.645 119.800 0.007 0.000 2.124 1447 Q HA -0.188 4.152 4.340 0.000 0.000 0.202 1447 Q C 2.246 178.280 176.000 0.056 0.000 0.977 1447 Q CA 1.091 56.902 55.803 0.013 0.000 0.850 1447 Q CB -0.318 28.416 28.738 -0.006 0.000 0.901 1447 Q HN 0.223 nan 8.270 nan 0.000 0.429 1448 L N 1.208 122.465 121.223 0.056 0.000 2.083 1448 L HA -0.050 4.290 4.340 0.000 0.000 0.209 1448 L C 2.428 179.375 176.870 0.129 0.000 1.083 1448 L CA 2.025 56.910 54.840 0.076 0.000 0.752 1448 L CB -0.857 41.236 42.059 0.056 0.000 0.899 1448 L HN 0.338 nan 8.230 nan 0.000 0.433 1449 A N -1.347 121.557 122.820 0.141 0.000 1.902 1449 A HA -0.133 4.187 4.320 0.000 0.000 0.217 1449 A C 2.228 180.039 177.584 0.378 0.000 1.181 1449 A CA 1.925 54.115 52.037 0.256 0.000 0.623 1449 A CB -0.973 18.112 19.000 0.141 0.000 0.818 1449 A HN 0.289 nan 8.150 nan 0.000 0.443 1450 V N -0.122 119.935 119.914 0.238 0.000 2.453 1450 V HA -0.213 3.907 4.120 0.000 0.000 0.247 1450 V C 2.582 178.811 176.094 0.224 0.000 1.048 1450 V CA 1.999 64.435 62.300 0.227 0.000 1.049 1450 V CB -0.813 31.118 31.823 0.180 0.000 0.672 1450 V HN 0.508 nan 8.190 nan 0.000 0.457 1451 R N 0.385 120.985 120.500 0.168 0.000 2.081 1451 R HA -0.087 4.253 4.340 0.000 0.000 0.235 1451 R C 2.444 178.821 176.300 0.128 0.000 1.131 1451 R CA 1.492 57.669 56.100 0.128 0.000 0.960 1451 R CB -0.566 29.788 30.300 0.089 0.000 0.856 1451 R HN 0.520 nan 8.270 nan 0.000 0.436 1452 A N 0.565 123.482 122.820 0.163 0.000 1.930 1452 A HA -0.161 4.159 4.320 0.000 0.000 0.217 1452 A C 1.942 179.578 177.584 0.088 0.000 1.175 1452 A CA 0.888 53.011 52.037 0.143 0.000 0.627 1452 A CB -0.557 18.573 19.000 0.216 0.000 0.815 1452 A HN 0.341 nan 8.150 nan 0.000 0.443 1453 F N 0.917 120.837 119.950 -0.051 0.000 2.102 1453 F HA -0.088 4.439 4.527 0.000 0.000 0.298 1453 F C 2.538 178.253 175.800 -0.141 0.000 1.105 1453 F CA 1.336 59.177 58.000 -0.264 0.000 1.239 1453 F CB -0.264 38.549 39.000 -0.311 0.000 0.991 1453 F HN 0.255 nan 8.300 nan 0.000 0.474 1454 A N -0.158 122.755 122.820 0.155 0.000 1.877 1454 A HA -0.198 4.122 4.320 0.000 0.000 0.216 1454 A C 1.933 179.498 177.584 -0.031 0.000 1.186 1454 A CA 2.028 54.112 52.037 0.077 0.000 0.620 1454 A CB -0.982 18.087 19.000 0.116 0.000 0.822 1454 A HN 0.419 nan 8.150 nan 0.000 0.443 1455 D N -0.111 120.277 120.400 -0.021 0.000 2.178 1455 D HA 0.024 4.664 4.640 0.000 0.000 0.202 1455 D C 2.155 178.402 176.300 -0.089 0.000 0.974 1455 D CA 1.264 55.241 54.000 -0.039 0.000 0.841 1455 D CB -0.329 40.467 40.800 -0.008 0.000 0.953 1455 D HN 0.418 nan 8.370 nan 0.000 0.478 1456 A N 0.425 123.156 122.820 -0.148 0.000 1.972 1456 A HA -0.126 4.194 4.320 0.000 0.000 0.219 1456 A C 1.994 179.440 177.584 -0.230 0.000 1.169 1456 A CA 0.771 52.686 52.037 -0.204 0.000 0.635 1456 A CB -0.499 18.316 19.000 -0.308 0.000 0.810 1456 A HN 0.151 nan 8.150 nan 0.000 0.446 1457 L N 0.364 121.428 121.223 -0.265 0.000 2.353 1457 L HA -0.110 4.230 4.340 0.000 0.000 0.220 1457 L C 2.000 178.784 176.870 -0.143 0.000 1.133 1457 L CA 1.336 56.043 54.840 -0.222 0.000 0.798 1457 L CB -0.582 41.355 42.059 -0.204 0.000 0.922 1457 L HN 0.393 nan 8.230 nan 0.000 0.445 1458 E N -1.013 119.116 120.200 -0.117 0.000 2.409 1458 E HA -0.136 4.215 4.350 0.000 0.000 0.198 1458 E C 2.337 178.888 176.600 -0.081 0.000 1.024 1458 E CA 0.663 57.010 56.400 -0.088 0.000 0.861 1458 E CB -0.401 29.258 29.700 -0.068 0.000 0.788 1458 E HN 0.352 nan 8.360 nan 0.000 0.521 1459 V N 1.283 121.142 119.914 -0.092 0.000 2.568 1459 V HA -0.231 3.889 4.120 0.000 0.000 0.253 1459 V C 1.889 177.941 176.094 -0.070 0.000 1.072 1459 V CA 1.023 63.276 62.300 -0.077 0.000 1.084 1459 V CB -0.273 31.499 31.823 -0.085 0.000 0.676 1459 V HN 0.126 nan 8.190 nan 0.000 0.469 1460 I N 1.364 121.888 120.570 -0.077 0.000 2.133 1460 I HA -0.051 4.119 4.170 0.000 0.000 0.238 1460 I C 0.227 176.310 176.117 -0.058 0.000 1.074 1460 I CA 1.787 63.047 61.300 -0.067 0.000 1.342 1460 I CB -2.909 35.049 38.000 -0.070 0.000 1.053 1460 I HN 0.348 nan 8.210 nan 0.000 0.404 1461 P HA -0.145 nan 4.420 nan 0.000 0.221 1461 P C 1.750 179.022 177.300 -0.047 0.000 1.150 1461 P CA 1.388 64.458 63.100 -0.051 0.000 0.800 1461 P CB -0.130 31.538 31.700 -0.053 0.000 0.787 1462 R N -0.055 120.416 120.500 -0.049 0.000 2.066 1462 R HA -0.050 4.290 4.340 0.000 0.000 0.232 1462 R C 1.978 178.252 176.300 -0.043 0.000 1.131 1462 R CA 1.915 57.989 56.100 -0.043 0.000 0.955 1462 R CB -0.691 29.584 30.300 -0.043 0.000 0.851 1462 R HN 0.052 nan 8.270 nan 0.000 0.432 1463 T N 1.327 115.853 114.554 -0.047 0.000 2.942 1463 T HA 0.016 4.367 4.350 0.000 0.000 0.265 1463 T C 1.773 176.443 174.700 -0.050 0.000 1.062 1463 T CA 0.759 62.832 62.100 -0.046 0.000 1.139 1463 T CB -0.015 68.826 68.868 -0.046 0.000 0.883 1463 T HN 0.142 nan 8.240 nan 0.000 0.468 1464 L N 0.920 122.110 121.223 -0.054 0.000 2.042 1464 L HA -0.136 4.204 4.340 0.000 0.000 0.210 1464 L C 3.003 179.833 176.870 -0.067 0.000 1.076 1464 L CA 1.385 56.187 54.840 -0.063 0.000 0.749 1464 L CB -0.614 41.409 42.059 -0.060 0.000 0.893 1464 L HN 0.250 nan 8.230 nan 0.000 0.432 1465 A N -0.510 122.277 122.820 -0.055 0.000 1.929 1465 A HA -0.184 4.136 4.320 0.000 0.000 0.216 1465 A C 2.169 179.724 177.584 -0.049 0.000 1.176 1465 A CA 1.334 53.340 52.037 -0.051 0.000 0.628 1465 A CB -0.359 18.617 19.000 -0.040 0.000 0.816 1465 A HN 0.415 nan 8.150 nan 0.000 0.444 1466 E N 0.036 120.210 120.200 -0.044 0.000 2.058 1466 E HA -0.194 4.156 4.350 0.000 0.000 0.194 1466 E C 1.645 178.218 176.600 -0.044 0.000 0.997 1466 E CA 1.298 57.674 56.400 -0.040 0.000 0.801 1466 E CB -0.173 29.506 29.700 -0.036 0.000 0.746 1466 E HN 0.530 nan 8.360 nan 0.000 0.450 1467 N N 0.287 118.956 118.700 -0.052 0.000 2.244 1467 N HA -0.085 4.655 4.740 0.000 0.000 0.183 1467 N C 1.451 176.918 175.510 -0.071 0.000 1.016 1467 N CA 1.060 54.075 53.050 -0.058 0.000 0.866 1467 N CB -0.134 38.316 38.487 -0.062 0.000 0.980 1467 N HN 0.109 nan 8.380 nan 0.000 0.430 1468 A N -0.023 122.748 122.820 -0.082 0.000 2.067 1468 A HA 0.320 4.640 4.320 0.000 0.000 0.217 1468 A C 1.464 179.008 177.584 -0.066 0.000 1.156 1468 A CA 1.061 53.040 52.037 -0.096 0.000 0.683 1468 A CB -0.413 18.519 19.000 -0.114 0.000 0.808 1468 A HN 0.310 nan 8.150 nan 0.000 0.455 1469 G N -1.150 107.619 108.800 -0.051 0.000 2.171 1469 G HA2 -0.182 3.778 3.960 0.000 0.000 0.238 1469 G HA3 -0.182 3.778 3.960 0.000 0.000 0.238 1469 G C -0.060 174.821 174.900 -0.031 0.000 1.039 1469 G CA 0.318 45.396 45.100 -0.037 0.000 0.759 1469 G HN 0.446 nan 8.290 nan 0.000 0.501 1470 L N -0.091 121.112 121.223 -0.034 0.000 2.375 1470 L HA 0.484 4.824 4.340 0.000 0.000 0.268 1470 L C 0.478 177.334 176.870 -0.023 0.000 1.058 1470 L CA -1.074 53.749 54.840 -0.027 0.000 0.803 1470 L CB 0.930 42.971 42.059 -0.031 0.000 1.212 1470 L HN 0.112 nan 8.230 nan 0.000 0.451 1471 D N 1.054 121.444 120.400 -0.017 0.000 2.342 1471 D HA 0.118 4.758 4.640 0.000 0.000 0.260 1471 D C 0.739 177.030 176.300 -0.016 0.000 1.278 1471 D CA 0.117 54.109 54.000 -0.014 0.000 0.910 1471 D CB 1.732 42.526 40.800 -0.010 0.000 1.079 1471 D HN 0.632 nan 8.370 nan 0.000 0.496 1472 A N 5.460 128.269 122.820 -0.018 0.000 1.908 1472 A HA -0.196 4.124 4.320 0.000 0.000 0.218 1472 A C 2.158 179.733 177.584 -0.016 0.000 1.181 1472 A CA 0.863 52.888 52.037 -0.020 0.000 0.627 1472 A CB -0.269 18.717 19.000 -0.022 0.000 0.818 1472 A HN 0.704 nan 8.150 nan 0.000 0.445 1473 I N -0.162 120.400 120.570 -0.013 0.000 2.179 1473 I HA -0.213 3.957 4.170 0.000 0.000 0.242 1473 I C 2.452 178.565 176.117 -0.007 0.000 1.088 1473 I CA 1.868 63.163 61.300 -0.010 0.000 1.357 1473 I CB -1.462 36.534 38.000 -0.007 0.000 1.051 1473 I HN 0.601 nan 8.210 nan 0.000 0.409 1474 E N 1.483 121.680 120.200 -0.006 0.000 2.051 1474 E HA -0.229 4.122 4.350 0.000 0.000 0.192 1474 E C 2.342 178.941 176.600 -0.002 0.000 0.991 1474 E CA 1.799 58.197 56.400 -0.003 0.000 0.799 1474 E CB -0.110 29.589 29.700 -0.003 0.000 0.748 1474 E HN 0.610 nan 8.360 nan 0.000 0.449 1475 I N -1.415 119.152 120.570 -0.005 0.000 2.439 1475 I HA -0.163 4.007 4.170 0.000 0.000 0.251 1475 I C 2.225 178.339 176.117 -0.006 0.000 1.139 1475 I CA 0.874 62.171 61.300 -0.005 0.000 1.438 1475 I CB -0.340 37.654 38.000 -0.010 0.000 1.085 1475 I HN 0.073 nan 8.210 nan 0.000 0.427 1476 L N 0.779 121.996 121.223 -0.010 0.000 2.093 1476 L HA -0.110 4.230 4.340 0.000 0.000 0.208 1476 L C 2.681 179.548 176.870 -0.005 0.000 1.085 1476 L CA 0.809 55.641 54.840 -0.013 0.000 0.755 1476 L CB -0.405 41.644 42.059 -0.017 0.000 0.904 1476 L HN 0.168 nan 8.230 nan 0.000 0.435 1477 V N -0.267 119.647 119.914 -0.001 0.000 2.323 1477 V HA -0.231 3.889 4.120 0.000 0.000 0.244 1477 V C 2.377 178.478 176.094 0.012 0.000 1.041 1477 V CA 1.650 63.953 62.300 0.005 0.000 1.025 1477 V CB -0.382 31.444 31.823 0.005 0.000 0.656 1477 V HN 0.384 nan 8.190 nan 0.000 0.451 1478 K N -0.369 120.038 120.400 0.011 0.000 2.103 1478 K HA -0.047 4.273 4.320 0.000 0.000 0.204 1478 K C 2.046 178.662 176.600 0.026 0.000 1.052 1478 K CA 1.005 57.302 56.287 0.017 0.000 0.945 1478 K CB -0.187 32.321 32.500 0.013 0.000 0.722 1478 K HN 0.292 nan 8.250 nan 0.000 0.443 1479 V N 1.183 121.111 119.914 0.023 0.000 2.323 1479 V HA -0.175 3.945 4.120 0.000 0.000 0.244 1479 V C 2.356 178.484 176.094 0.057 0.000 1.041 1479 V CA 1.460 63.781 62.300 0.035 0.000 1.025 1479 V CB -0.394 31.436 31.823 0.012 0.000 0.656 1479 V HN 0.270 nan 8.190 nan 0.000 0.451 1480 R N 0.093 120.611 120.500 0.030 0.000 2.081 1480 R HA -0.164 4.176 4.340 0.000 0.000 0.235 1480 R C 2.292 178.640 176.300 0.080 0.000 1.131 1480 R CA 1.720 57.843 56.100 0.037 0.000 0.960 1480 R CB -0.411 29.894 30.300 0.009 0.000 0.856 1480 R HN 0.500 nan 8.270 nan 0.000 0.436 1481 A N 0.494 123.347 122.820 0.055 0.000 1.873 1481 A HA -0.050 4.270 4.320 0.000 0.000 0.215 1481 A C 2.316 179.933 177.584 0.054 0.000 1.186 1481 A CA 1.538 53.604 52.037 0.049 0.000 0.616 1481 A CB -0.754 18.264 19.000 0.031 0.000 0.823 1481 A HN 0.506 nan 8.150 nan 0.000 0.442 1482 A N -0.984 121.869 122.820 0.056 0.000 1.933 1482 A HA -0.148 4.172 4.320 0.000 0.000 0.218 1482 A C 1.984 179.600 177.584 0.053 0.000 1.175 1482 A CA 2.072 54.136 52.037 0.046 0.000 0.628 1482 A CB -0.848 18.177 19.000 0.042 0.000 0.814 1482 A HN 0.806 nan 8.150 nan 0.000 0.444 1483 H N -0.114 118.959 119.070 0.005 0.000 2.293 1483 H HA 0.049 4.605 4.556 0.000 0.000 0.300 1483 H C 2.179 177.511 175.328 0.005 0.000 1.082 1483 H CA 2.062 58.113 56.048 0.005 0.000 1.308 1483 H CB -0.245 29.519 29.762 0.004 0.000 1.375 1483 H HN 0.367 nan 8.280 nan 0.000 0.495 1484 A N -0.542 122.334 122.820 0.094 0.000 1.940 1484 A HA -0.187 4.133 4.320 0.000 0.000 0.219 1484 A C 2.582 180.146 177.584 -0.032 0.000 1.176 1484 A CA 2.008 54.072 52.037 0.045 0.000 0.631 1484 A CB -1.064 17.989 19.000 0.088 0.000 0.814 1484 A HN 0.529 nan 8.150 nan 0.000 0.446 1485 S N -0.492 115.193 115.700 -0.024 0.000 2.341 1485 S HA -0.087 4.383 4.470 0.000 0.000 0.216 1485 S C 1.859 176.428 174.600 -0.051 0.000 1.034 1485 S CA 1.061 59.245 58.200 -0.027 0.000 0.964 1485 S CB -0.405 62.790 63.200 -0.008 0.000 0.882 1485 S HN 0.598 nan 8.310 nan 0.000 0.469 1486 N N 1.160 119.825 118.700 -0.058 0.000 2.396 1486 N HA 0.215 4.955 4.740 0.000 0.000 0.180 1486 N C 1.074 176.522 175.510 -0.103 0.000 1.028 1486 N CA 1.000 54.013 53.050 -0.062 0.000 0.893 1486 N CB -0.072 38.392 38.487 -0.038 0.000 0.967 1486 N HN 0.623 nan 8.380 nan 0.000 0.440 1487 G N 0.363 109.043 108.800 -0.200 0.000 2.396 1487 G HA2 -0.227 3.734 3.960 0.000 0.000 0.254 1487 G HA3 -0.227 3.734 3.960 0.000 0.000 0.254 1487 G C 0.014 174.670 174.900 -0.406 0.000 1.248 1487 G CA 0.042 44.981 45.100 -0.268 0.000 1.033 1487 G HN 0.253 nan 8.290 nan 0.000 0.502 1488 N N -0.479 118.081 118.700 -0.234 0.000 2.414 1488 N HA 0.028 4.768 4.740 0.000 0.000 0.177 1488 N C 1.503 177.018 175.510 0.008 0.000 1.062 1488 N CA 0.754 53.768 53.050 -0.060 0.000 0.890 1488 N CB 0.036 38.554 38.487 0.052 0.000 1.070 1488 N HN 0.296 nan 8.380 nan 0.000 0.454 1489 K N 0.004 120.393 120.400 -0.019 0.000 2.404 1489 K HA 0.156 4.476 4.320 0.000 0.000 0.194 1489 K C -0.249 176.348 176.600 -0.005 0.000 1.023 1489 K CA 0.064 56.349 56.287 -0.003 0.000 1.094 1489 K CB 0.033 32.529 32.500 -0.007 0.000 0.841 1489 K HN 0.093 nan 8.250 nan 0.000 0.523 1490 C N 0.159 119.450 119.300 -0.015 0.000 3.517 1490 C HA 0.820 5.280 4.460 0.000 0.000 0.202 1490 C C -0.265 174.726 174.990 0.000 0.000 1.370 1490 C CA -0.168 58.845 59.018 -0.009 0.000 1.308 1490 C CB -1.398 26.328 27.740 -0.024 0.000 1.840 1490 C HN 0.450 nan 8.230 nan 0.000 0.525 1491 A N 1.295 124.137 122.820 0.037 0.000 5.650 1491 A HA 0.955 5.275 4.320 0.000 0.000 0.194 1491 A C 0.425 178.058 177.584 0.080 0.000 0.895 1491 A CA 0.472 52.554 52.037 0.075 0.000 0.804 1491 A CB -0.379 18.712 19.000 0.151 0.000 2.103 1491 A HN 2.342 nan 8.150 nan 0.000 1.022 1492 G N -1.866 106.996 108.800 0.104 0.000 2.846 1492 G HA2 0.342 4.302 3.960 0.000 0.000 0.660 1492 G HA3 0.342 4.302 3.960 0.000 0.000 0.660 1492 G C -0.624 174.303 174.900 0.045 0.000 1.464 1492 G CA 0.043 45.181 45.100 0.064 0.000 0.891 1492 G HN 2.104 nan 8.290 nan 0.000 0.552 1493 L N 0.919 122.159 121.223 0.029 0.000 2.289 1493 L HA 0.620 4.960 4.340 0.000 0.000 0.285 1493 L C 0.522 177.414 176.870 0.037 0.000 1.049 1493 L CA -0.770 54.084 54.840 0.023 0.000 0.804 1493 L CB 1.402 43.461 42.059 0.001 0.000 1.195 1493 L HN 0.731 nan 8.230 nan 0.000 0.428 1494 N N 4.065 122.796 118.700 0.051 0.000 2.485 1494 N HA 0.125 4.865 4.740 0.000 0.000 0.243 1494 N C 0.906 176.451 175.510 0.059 0.000 0.987 1494 N CA -0.155 52.951 53.050 0.094 0.000 0.940 1494 N CB 1.403 39.960 38.487 0.117 0.000 1.122 1494 N HN 0.713 nan 8.380 nan 0.000 0.509 1495 V N 2.081 121.989 119.914 -0.010 0.000 2.970 1495 V HA -0.041 4.079 4.120 0.000 0.000 0.260 1495 V C 1.410 177.400 176.094 -0.173 0.000 1.100 1495 V CA 1.013 63.232 62.300 -0.135 0.000 1.122 1495 V CB -1.079 30.591 31.823 -0.254 0.000 0.721 1495 V HN 0.475 nan 8.190 nan 0.000 0.483 1496 F N 2.471 122.420 119.950 -0.002 0.000 2.259 1496 F HA -0.021 4.506 4.527 0.000 0.000 0.298 1496 F C 2.660 178.459 175.800 -0.001 0.000 1.088 1496 F CA 1.779 59.778 58.000 -0.002 0.000 1.358 1496 F CB -0.333 38.666 39.000 -0.001 0.000 1.040 1496 F HN 0.377 nan 8.300 nan 0.000 0.505 1497 T N -4.102 110.554 114.554 0.170 0.000 3.001 1497 T HA 0.375 4.725 4.350 0.000 0.000 0.251 1497 T C 1.482 176.211 174.700 0.048 0.000 1.040 1497 T CA 0.415 62.570 62.100 0.092 0.000 0.985 1497 T CB 0.326 69.240 68.868 0.076 0.000 1.011 1497 T HN 0.343 nan 8.240 nan 0.000 0.509 1498 G N 1.099 109.919 108.800 0.033 0.000 2.248 1498 G HA2 0.273 4.233 3.960 0.000 0.000 0.263 1498 G HA3 0.273 4.233 3.960 0.000 0.000 0.263 1498 G C 0.060 174.966 174.900 0.010 0.000 1.082 1498 G CA -0.226 44.877 45.100 0.005 0.000 0.863 1498 G HN 1.424 nan 8.290 nan 0.000 0.495 1499 A N -1.661 121.170 122.820 0.020 0.000 2.608 1499 A HA 0.881 5.201 4.320 0.000 0.000 0.292 1499 A C 0.035 177.634 177.584 0.026 0.000 1.066 1499 A CA 0.129 52.178 52.037 0.019 0.000 0.676 1499 A CB 1.389 20.401 19.000 0.021 0.000 1.277 1499 A HN 1.802 nan 8.150 nan 0.000 0.413 1500 V N 1.668 121.596 119.914 0.023 0.000 2.673 1500 V HA 0.406 4.527 4.120 0.000 0.000 0.303 1500 V C 0.020 176.134 176.094 0.032 0.000 1.046 1500 V CA 1.025 63.342 62.300 0.029 0.000 1.126 1500 V CB 0.443 32.283 31.823 0.029 0.000 0.934 1500 V HN 0.914 nan 8.190 nan 0.000 0.487 1501 E N 3.827 124.050 120.200 0.038 0.000 2.359 1501 E HA 0.373 4.723 4.350 0.000 0.000 0.223 1501 E C -1.476 175.145 176.600 0.035 0.000 0.877 1501 E CA -0.654 55.767 56.400 0.035 0.000 0.887 1501 E CB 0.828 30.553 29.700 0.041 0.000 1.890 1501 E HN 0.707 nan 8.360 nan 0.000 0.419 1502 D N 1.234 121.652 120.400 0.029 0.000 2.472 1502 D HA 0.193 4.833 4.640 0.000 0.000 0.234 1502 D C 0.832 177.149 176.300 0.028 0.000 1.088 1502 D CA -0.274 53.742 54.000 0.025 0.000 0.882 1502 D CB 0.580 41.389 40.800 0.015 0.000 1.037 1502 D HN 0.186 nan 8.370 nan 0.000 0.520 1503 M N 1.748 121.370 119.600 0.037 0.000 2.117 1503 M HA -0.142 4.338 4.480 0.000 0.000 0.262 1503 M C 2.310 178.626 176.300 0.027 0.000 1.065 1503 M CA 0.818 56.141 55.300 0.039 0.000 1.114 1503 M CB -1.157 31.471 32.600 0.047 0.000 1.361 1503 M HN 0.549 nan 8.290 nan 0.000 0.408 1504 C N 0.602 119.916 119.300 0.023 0.000 2.432 1504 C HA -0.184 4.276 4.460 0.000 0.000 0.277 1504 C C 2.732 177.726 174.990 0.008 0.000 1.249 1504 C CA 1.620 60.647 59.018 0.015 0.000 1.725 1504 C CB -0.871 26.877 27.740 0.013 0.000 2.028 1504 C HN 0.600 nan 8.230 nan 0.000 0.477 1505 E N 1.121 121.325 120.200 0.007 0.000 2.110 1505 E HA -0.139 4.211 4.350 0.000 0.000 0.193 1505 E C 1.608 178.207 176.600 -0.002 0.000 0.988 1505 E CA 1.567 57.968 56.400 0.001 0.000 0.804 1505 E CB -0.420 29.281 29.700 0.002 0.000 0.745 1505 E HN 0.624 nan 8.360 nan 0.000 0.458 1506 N N -0.335 118.365 118.700 0.000 0.000 2.461 1506 N HA 0.055 4.795 4.740 0.000 0.000 0.188 1506 N C 0.622 176.123 175.510 -0.015 0.000 1.134 1506 N CA 0.944 53.988 53.050 -0.009 0.000 0.878 1506 N CB 0.554 39.040 38.487 -0.002 0.000 0.972 1506 N HN 0.319 nan 8.380 nan 0.000 0.456 1507 G N -0.083 108.714 108.800 -0.006 0.000 2.153 1507 G HA2 -0.265 3.695 3.960 0.000 0.000 0.252 1507 G HA3 -0.265 3.695 3.960 0.000 0.000 0.252 1507 G C -0.050 174.850 174.900 0.001 0.000 0.994 1507 G CA 0.183 45.279 45.100 -0.006 0.000 0.698 1507 G HN 0.207 nan 8.290 nan 0.000 0.521 1508 V N 1.463 121.385 119.914 0.013 0.000 2.222 1508 V HA 0.487 4.607 4.120 0.000 0.000 0.253 1508 V C 0.787 176.897 176.094 0.028 0.000 1.210 1508 V CA 0.119 62.437 62.300 0.030 0.000 1.079 1508 V CB 0.463 32.317 31.823 0.052 0.000 1.265 1508 V HN 1.046 nan 8.190 nan 0.000 0.494 1509 V N 1.564 121.491 119.914 0.021 0.000 2.876 1509 V HA 0.900 5.020 4.120 0.000 0.000 0.312 1509 V C -0.632 175.472 176.094 0.017 0.000 1.085 1509 V CA -0.711 61.600 62.300 0.019 0.000 0.945 1509 V CB 2.490 34.322 31.823 0.014 0.000 1.017 1509 V HN 0.657 nan 8.190 nan 0.000 0.428 1510 E N 2.364 122.573 120.200 0.015 0.000 2.336 1510 E HA 0.654 5.004 4.350 0.000 0.000 0.267 1510 E C -3.234 173.372 176.600 0.010 0.000 0.906 1510 E CA -2.432 53.975 56.400 0.012 0.000 0.781 1510 E CB 2.090 31.798 29.700 0.012 0.000 1.261 1510 E HN 0.464 nan 8.360 nan 0.000 0.436 1511 P HA -0.026 nan 4.420 nan 0.000 0.266 1511 P C 0.892 178.196 177.300 0.006 0.000 1.195 1511 P CA -0.304 62.800 63.100 0.006 0.000 0.768 1511 P CB 0.444 32.147 31.700 0.005 0.000 0.838 1512 L N 4.028 125.254 121.223 0.006 0.000 2.079 1512 L HA -0.206 4.135 4.340 0.000 0.000 0.210 1512 L C 2.088 178.960 176.870 0.004 0.000 1.081 1512 L CA 1.947 56.791 54.840 0.006 0.000 0.752 1512 L CB -0.617 41.445 42.059 0.005 0.000 0.896 1512 L HN 0.242 nan 8.230 nan 0.000 0.433 1513 R N -0.531 119.971 120.500 0.004 0.000 2.117 1513 R HA -0.130 4.210 4.340 0.000 0.000 0.243 1513 R C 2.231 178.533 176.300 0.003 0.000 1.143 1513 R CA 1.559 57.661 56.100 0.004 0.000 0.968 1513 R CB -1.366 28.936 30.300 0.003 0.000 0.863 1513 R HN 0.389 nan 8.270 nan 0.000 0.444 1514 V N 1.654 121.569 119.914 0.003 0.000 2.287 1514 V HA -0.239 3.881 4.120 0.000 0.000 0.248 1514 V C 2.393 178.487 176.094 -0.001 0.000 1.053 1514 V CA 1.755 64.055 62.300 0.001 0.000 1.027 1514 V CB -0.300 31.524 31.823 0.002 0.000 0.646 1514 V HN 0.212 nan 8.190 nan 0.000 0.447 1515 K N -0.715 119.685 120.400 -0.000 0.000 2.137 1515 K HA -0.038 4.282 4.320 0.000 0.000 0.202 1515 K C 2.291 178.892 176.600 0.001 0.000 1.052 1515 K CA 1.501 57.786 56.287 -0.002 0.000 0.961 1515 K CB -0.665 31.834 32.500 -0.002 0.000 0.741 1515 K HN 0.458 nan 8.250 nan 0.000 0.452 1516 T N 0.714 115.271 114.554 0.004 0.000 2.942 1516 T HA -0.119 4.231 4.350 0.000 0.000 0.265 1516 T C 1.824 176.529 174.700 0.009 0.000 1.062 1516 T CA 1.207 63.311 62.100 0.007 0.000 1.139 1516 T CB 0.174 69.045 68.868 0.006 0.000 0.883 1516 T HN 0.071 nan 8.240 nan 0.000 0.468 1517 Q N 0.636 120.440 119.800 0.007 0.000 2.137 1517 Q HA 0.317 4.657 4.340 0.000 0.000 0.198 1517 Q C 2.209 178.214 176.000 0.008 0.000 0.960 1517 Q CA 1.532 57.339 55.803 0.007 0.000 0.847 1517 Q CB -0.686 28.055 28.738 0.005 0.000 0.915 1517 Q HN 0.515 nan 8.270 nan 0.000 0.448 1518 A N 0.747 123.569 122.820 0.003 0.000 1.865 1518 A HA -0.160 4.160 4.320 0.000 0.000 0.217 1518 A C 1.931 179.518 177.584 0.004 0.000 1.191 1518 A CA 1.626 53.661 52.037 -0.002 0.000 0.623 1518 A CB -0.760 18.233 19.000 -0.011 0.000 0.826 1518 A HN 0.450 nan 8.150 nan 0.000 0.444 1519 I N -0.242 120.335 120.570 0.011 0.000 2.315 1519 I HA -0.190 3.980 4.170 0.000 0.000 0.248 1519 I C 2.658 178.807 176.117 0.053 0.000 1.117 1519 I CA 1.197 62.519 61.300 0.037 0.000 1.404 1519 I CB -1.356 36.673 38.000 0.048 0.000 1.071 1519 I HN 0.396 nan 8.210 nan 0.000 0.419 1520 Q N 0.537 120.358 119.800 0.035 0.000 1.965 1520 Q HA -0.115 4.225 4.340 0.000 0.000 0.200 1520 Q C 2.485 178.507 176.000 0.037 0.000 0.981 1520 Q CA 1.764 57.588 55.803 0.033 0.000 0.834 1520 Q CB -0.426 28.325 28.738 0.021 0.000 0.900 1520 Q HN 0.372 nan 8.270 nan 0.000 0.426 1521 S N 0.986 116.702 115.700 0.027 0.000 2.368 1521 S HA -0.117 4.353 4.470 0.000 0.000 0.225 1521 S C 1.951 176.571 174.600 0.033 0.000 1.030 1521 S CA 1.050 59.266 58.200 0.026 0.000 0.999 1521 S CB -0.235 62.975 63.200 0.017 0.000 0.844 1521 S HN 0.492 nan 8.310 nan 0.000 0.459 1522 A N 1.565 124.404 122.820 0.031 0.000 1.873 1522 A HA 0.136 4.456 4.320 0.000 0.000 0.215 1522 A C 2.362 179.986 177.584 0.066 0.000 1.186 1522 A CA 1.678 53.734 52.037 0.032 0.000 0.616 1522 A CB -1.117 17.886 19.000 0.006 0.000 0.823 1522 A HN 0.509 nan 8.150 nan 0.000 0.442 1523 A N -0.618 122.259 122.820 0.096 0.000 1.902 1523 A HA -0.130 4.190 4.320 0.000 0.000 0.217 1523 A C 1.991 179.657 177.584 0.136 0.000 1.181 1523 A CA 1.706 53.841 52.037 0.163 0.000 0.623 1523 A CB -0.375 18.737 19.000 0.186 0.000 0.818 1523 A HN 0.449 nan 8.150 nan 0.000 0.443 1524 E N -0.502 119.752 120.200 0.089 0.000 2.072 1524 E HA -0.088 4.262 4.350 0.000 0.000 0.190 1524 E C 2.310 178.949 176.600 0.065 0.000 0.982 1524 E CA 1.234 57.676 56.400 0.070 0.000 0.803 1524 E CB -0.488 29.240 29.700 0.047 0.000 0.755 1524 E HN 0.519 nan 8.360 nan 0.000 0.453 1525 S N -0.114 115.621 115.700 0.058 0.000 2.387 1525 S HA -0.083 4.387 4.470 0.000 0.000 0.226 1525 S C 1.998 176.633 174.600 0.059 0.000 1.026 1525 S CA 1.431 59.660 58.200 0.048 0.000 0.972 1525 S CB -0.106 63.115 63.200 0.036 0.000 0.814 1525 S HN 0.194 nan 8.310 nan 0.000 0.477 1526 T N 1.506 116.109 114.554 0.082 0.000 2.708 1526 T HA -0.094 4.256 4.350 0.000 0.000 0.266 1526 T C 1.750 176.533 174.700 0.137 0.000 1.037 1526 T CA 1.581 63.747 62.100 0.111 0.000 1.146 1526 T CB -0.372 68.581 68.868 0.140 0.000 0.865 1526 T HN 0.578 nan 8.240 nan 0.000 0.435 1527 E N 0.520 120.815 120.200 0.159 0.000 2.106 1527 E HA -0.113 4.237 4.350 0.000 0.000 0.192 1527 E C 2.215 178.854 176.600 0.064 0.000 0.984 1527 E CA 0.783 57.261 56.400 0.131 0.000 0.806 1527 E CB -0.184 29.600 29.700 0.138 0.000 0.750 1527 E HN 0.471 nan 8.360 nan 0.000 0.458 1528 M N 0.191 119.825 119.600 0.057 0.000 2.086 1528 M HA -0.196 4.284 4.480 0.000 0.000 0.261 1528 M C 1.791 178.106 176.300 0.025 0.000 1.067 1528 M CA 1.236 56.557 55.300 0.035 0.000 1.116 1528 M CB -0.005 32.615 32.600 0.033 0.000 1.348 1528 M HN 0.186 nan 8.290 nan 0.000 0.407 1529 L N 0.792 122.032 121.223 0.029 0.000 2.042 1529 L HA -0.173 4.167 4.340 0.000 0.000 0.210 1529 L C 2.239 179.113 176.870 0.006 0.000 1.076 1529 L CA 1.749 56.598 54.840 0.016 0.000 0.749 1529 L CB -1.071 41.001 42.059 0.020 0.000 0.893 1529 L HN 0.401 nan 8.230 nan 0.000 0.432 1530 L N -1.467 119.764 121.223 0.013 0.000 2.201 1530 L HA -0.153 4.187 4.340 0.000 0.000 0.212 1530 L C 2.480 179.336 176.870 -0.023 0.000 1.105 1530 L CA 0.743 55.575 54.840 -0.014 0.000 0.775 1530 L CB -0.387 41.654 42.059 -0.030 0.000 0.913 1530 L HN 0.214 nan 8.230 nan 0.000 0.440 1531 R N -0.076 120.420 120.500 -0.006 0.000 2.193 1531 R HA 0.102 4.442 4.340 0.000 0.000 0.213 1531 R C 0.536 176.834 176.300 -0.003 0.000 1.055 1531 R CA 0.315 56.413 56.100 -0.003 0.000 0.995 1531 R CB -0.040 30.264 30.300 0.008 0.000 0.893 1531 R HN 0.254 nan 8.270 nan 0.000 0.459 1532 I N 2.580 123.148 120.570 -0.003 0.000 2.471 1532 I HA -0.047 4.123 4.170 0.000 0.000 0.286 1532 I C 0.409 176.520 176.117 -0.009 0.000 1.079 1532 I CA 0.050 61.349 61.300 -0.003 0.000 1.398 1532 I CB 0.990 38.989 38.000 -0.003 0.000 1.403 1532 I HN 0.135 nan 8.210 nan 0.000 0.530 1533 D N 2.998 123.396 120.400 -0.003 0.000 2.503 1533 D HA 0.127 4.768 4.640 0.000 0.000 0.218 1533 D C -0.286 176.020 176.300 0.011 0.000 1.183 1533 D CA -0.040 53.957 54.000 -0.005 0.000 0.827 1533 D CB 0.387 41.180 40.800 -0.012 0.000 1.034 1533 D HN 0.355 nan 8.370 nan 0.000 0.510 1534 D N 0.058 120.471 120.400 0.022 0.000 2.688 1534 D HA 0.248 4.888 4.640 0.000 0.000 0.210 1534 D C -1.711 174.619 176.300 0.051 0.000 1.333 1534 D CA -0.471 53.552 54.000 0.038 0.000 0.920 1534 D CB 1.931 42.746 40.800 0.025 0.000 1.554 1534 D HN -0.170 nan 8.370 nan 0.000 0.579 1535 V N 4.267 124.239 119.914 0.096 0.000 2.444 1535 V HA 0.556 4.676 4.120 0.000 0.000 0.294 1535 V C -0.122 176.058 176.094 0.143 0.000 1.022 1535 V CA -0.668 61.703 62.300 0.118 0.000 0.850 1535 V CB 1.479 33.380 31.823 0.130 0.000 0.992 1535 V HN 0.431 nan 8.190 nan 0.000 0.426 1536 I N 4.575 125.198 120.570 0.089 0.000 2.390 1536 I HA 0.772 4.942 4.170 0.000 0.000 0.283 1536 I C 0.292 176.448 176.117 0.066 0.000 1.016 1536 I CA -0.054 61.282 61.300 0.060 0.000 1.151 1536 I CB 1.632 39.650 38.000 0.031 0.000 1.293 1536 I HN 0.684 nan 8.210 nan 0.000 0.458 1537 A N 4.344 127.211 122.820 0.079 0.000 2.401 1537 A HA 0.949 5.269 4.320 0.000 0.000 0.310 1537 A C -0.063 177.552 177.584 0.052 0.000 1.075 1537 A CA -0.684 51.402 52.037 0.082 0.000 0.746 1537 A CB 1.245 20.328 19.000 0.138 0.000 1.277 1537 A HN 0.748 nan 8.150 nan 0.000 0.425 1538 A N 0.742 123.589 122.820 0.044 0.000 2.448 1538 A HA 0.428 4.749 4.320 0.000 0.000 0.239 1538 A C 0.844 178.447 177.584 0.032 0.000 1.080 1538 A CA 0.012 52.067 52.037 0.029 0.000 0.779 1538 A CB -0.016 19.000 19.000 0.026 0.000 1.026 1538 A HN 0.923 nan 8.150 nan 0.000 0.499 1539 E N 0.000 120.211 120.200 0.019 0.000 2.725 1539 E HA 0.000 4.350 4.350 0.000 0.000 0.291 1539 E CA 0.000 56.411 56.400 0.018 0.000 0.976 1539 E CB 0.000 29.705 29.700 0.008 0.000 0.812 1539 E HN 0.000 nan 8.360 nan 0.000 0.440