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 3izm_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 TNIKDLSAQD 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 0.000 176.084 176.094 -0.017 0.000 1.182 1027 V CA 0.000 62.291 62.300 -0.015 0.000 1.235 1027 V CB 0.000 31.814 31.823 -0.016 0.000 1.184 1028 L N 2.408 123.619 121.223 -0.021 0.000 2.325 1028 L HA 0.621 4.961 4.340 0.000 0.000 0.278 1028 L C -2.351 174.504 176.870 -0.024 0.000 1.023 1028 L CA -1.585 53.239 54.840 -0.026 0.000 0.811 1028 L CB 1.048 43.087 42.059 -0.035 0.000 1.249 1028 L HN 0.158 nan 8.230 nan 0.000 0.431 1029 P HA 0.046 nan 4.420 nan 0.000 0.265 1029 P C -0.583 176.703 177.300 -0.024 0.000 1.193 1029 P CA -0.301 62.787 63.100 -0.021 0.000 0.765 1029 P CB 0.493 32.181 31.700 -0.019 0.000 0.823 1030 E N 2.920 123.108 120.200 -0.020 0.000 2.376 1030 E HA 0.040 4.391 4.350 0.000 0.000 0.266 1030 E C 0.507 177.094 176.600 -0.020 0.000 1.009 1030 E CA 0.620 57.008 56.400 -0.021 0.000 0.902 1030 E CB -0.139 29.552 29.700 -0.015 0.000 0.972 1030 E HN 0.395 nan 8.360 nan 0.000 0.439 1031 N N 1.953 120.638 118.700 -0.025 0.000 2.990 1031 N HA -0.199 4.541 4.740 0.000 0.000 0.163 1031 N C -0.159 175.331 175.510 -0.034 0.000 1.452 1031 N CA 0.654 53.691 53.050 -0.022 0.000 1.624 1031 N CB -1.159 37.319 38.487 -0.014 0.000 1.088 1031 N HN 0.583 nan 8.380 nan 0.000 0.695 1032 M N 2.842 122.416 119.600 -0.043 0.000 2.248 1032 M HA 0.066 4.546 4.480 0.000 0.000 0.345 1032 M C -0.452 175.789 176.300 -0.098 0.000 1.243 1032 M CA 0.666 55.930 55.300 -0.061 0.000 1.090 1032 M CB 0.410 32.976 32.600 -0.057 0.000 1.683 1032 M HN -0.122 nan 8.290 nan 0.000 0.450 1033 K N 5.196 125.519 120.400 -0.129 0.000 2.259 1033 K HA 0.538 4.858 4.320 0.000 0.000 0.252 1033 K C -1.123 175.275 176.600 -0.336 0.000 0.936 1033 K CA -0.575 55.559 56.287 -0.254 0.000 0.810 1033 K CB 2.197 34.572 32.500 -0.209 0.000 1.143 1033 K HN 0.770 nan 8.250 nan 0.000 0.427 1034 R N 2.144 122.332 120.500 -0.519 0.000 2.604 1034 R HA 0.422 4.762 4.340 0.000 0.000 0.281 1034 R C -1.483 174.466 176.300 -0.584 0.000 1.020 1034 R CA -0.529 55.322 56.100 -0.414 0.000 0.899 1034 R CB 1.207 31.389 30.300 -0.198 0.000 1.205 1034 R HN 0.601 nan 8.270 nan 0.000 0.450 1035 Y N 4.284 124.577 120.300 -0.013 0.000 2.512 1035 Y HA 0.594 5.144 4.550 0.000 0.000 0.348 1035 Y C 0.154 176.058 175.900 0.007 0.000 0.990 1035 Y CA -1.073 57.031 58.100 0.006 0.000 1.033 1035 Y CB 2.376 40.852 38.460 0.027 0.000 1.259 1035 Y HN 0.409 nan 8.280 nan 0.000 0.461 1036 M N 0.857 120.554 119.600 0.162 0.000 2.520 1036 M HA 0.772 5.252 4.480 0.000 0.000 0.280 1036 M C 0.052 176.394 176.300 0.070 0.000 1.232 1036 M CA -0.181 55.171 55.300 0.087 0.000 0.892 1036 M CB 1.224 33.852 32.600 0.046 0.000 1.728 1036 M HN 0.898 nan 8.290 nan 0.000 0.475 1037 G N 2.712 111.538 108.800 0.045 0.000 2.622 1037 G HA2 -0.378 3.582 3.960 0.000 0.000 0.307 1037 G HA3 -0.378 3.582 3.960 0.000 0.000 0.307 1037 G C 0.642 175.556 174.900 0.022 0.000 1.226 1037 G CA 1.334 46.448 45.100 0.024 0.000 0.997 1037 G HN 1.189 nan 8.290 nan 0.000 0.551 1038 R N 0.363 120.873 120.500 0.016 0.000 2.096 1038 R HA -0.070 4.270 4.340 0.000 0.000 0.235 1038 R C 2.155 178.467 176.300 0.020 0.000 1.127 1038 R CA 2.199 58.304 56.100 0.009 0.000 0.968 1038 R CB -0.405 29.898 30.300 0.005 0.000 0.861 1038 R HN 0.612 nan 8.270 nan 0.000 0.440 1039 D N 0.044 120.474 120.400 0.050 0.000 2.183 1039 D HA -0.074 4.566 4.640 0.000 0.000 0.203 1039 D C 1.701 178.034 176.300 0.056 0.000 0.969 1039 D CA 1.224 55.267 54.000 0.071 0.000 0.842 1039 D CB -0.061 40.833 40.800 0.156 0.000 0.957 1039 D HN 0.374 nan 8.370 nan 0.000 0.484 1040 A N 1.228 124.107 122.820 0.099 0.000 1.877 1040 A HA -0.191 4.129 4.320 0.000 0.000 0.216 1040 A C 2.155 179.759 177.584 0.034 0.000 1.186 1040 A CA 1.177 53.274 52.037 0.100 0.000 0.620 1040 A CB -0.360 18.706 19.000 0.111 0.000 0.822 1040 A HN 0.067 nan 8.150 nan 0.000 0.443 1041 Q N -0.707 119.103 119.800 0.017 0.000 2.079 1041 Q HA -0.161 4.179 4.340 0.000 0.000 0.200 1041 Q C 2.266 178.251 176.000 -0.026 0.000 0.974 1041 Q CA 1.606 57.407 55.803 -0.003 0.000 0.840 1041 Q CB -0.379 28.353 28.738 -0.010 0.000 0.898 1041 Q HN 0.758 nan 8.270 nan 0.000 0.430 1042 R N -0.158 120.321 120.500 -0.035 0.000 2.066 1042 R HA -0.060 4.280 4.340 0.000 0.000 0.232 1042 R C 2.156 178.395 176.300 -0.103 0.000 1.131 1042 R CA 1.095 57.161 56.100 -0.056 0.000 0.955 1042 R CB 0.049 30.322 30.300 -0.045 0.000 0.851 1042 R HN 0.135 nan 8.270 nan 0.000 0.432 1043 M N 0.763 120.276 119.600 -0.145 0.000 2.229 1043 M HA -0.104 4.376 4.480 0.000 0.000 0.264 1043 M C 1.646 177.785 176.300 -0.268 0.000 1.063 1043 M CA 1.411 56.568 55.300 -0.238 0.000 1.114 1043 M CB -1.095 31.249 32.600 -0.426 0.000 1.387 1043 M HN 0.293 nan 8.290 nan 0.000 0.420 1044 N N 0.223 118.842 118.700 -0.135 0.000 2.171 1044 N HA -0.058 4.682 4.740 0.000 0.000 0.184 1044 N C 1.834 177.265 175.510 -0.132 0.000 1.021 1044 N CA 1.050 54.029 53.050 -0.117 0.000 0.854 1044 N CB 0.083 38.576 38.487 0.009 0.000 0.994 1044 N HN 0.297 nan 8.380 nan 0.000 0.426 1045 I N 0.904 121.419 120.570 -0.091 0.000 2.286 1045 I HA -0.232 3.938 4.170 0.000 0.000 0.248 1045 I C 1.902 177.959 176.117 -0.099 0.000 1.115 1045 I CA 0.709 61.967 61.300 -0.070 0.000 1.392 1045 I CB -0.027 37.948 38.000 -0.042 0.000 1.065 1045 I HN 0.076 nan 8.210 nan 0.000 0.418 1046 L N 0.715 121.858 121.223 -0.133 0.000 2.005 1046 L HA -0.143 4.197 4.340 0.000 0.000 0.207 1046 L C 2.728 179.493 176.870 -0.176 0.000 1.072 1046 L CA 2.191 56.948 54.840 -0.138 0.000 0.744 1046 L CB -1.312 40.661 42.059 -0.143 0.000 0.895 1046 L HN 0.190 nan 8.230 nan 0.000 0.433 1047 A N -0.578 122.065 122.820 -0.295 0.000 1.917 1047 A HA -0.169 4.151 4.320 0.000 0.000 0.219 1047 A C 2.398 179.870 177.584 -0.188 0.000 1.182 1047 A CA 1.956 53.789 52.037 -0.341 0.000 0.633 1047 A CB -1.417 17.133 19.000 -0.750 0.000 0.819 1047 A HN 0.463 nan 8.150 nan 0.000 0.448 1048 G N -0.902 107.806 108.800 -0.154 0.000 2.404 1048 G HA2 -0.240 3.720 3.960 0.000 0.000 0.215 1048 G HA3 -0.240 3.720 3.960 0.000 0.000 0.215 1048 G C 1.751 176.609 174.900 -0.071 0.000 1.174 1048 G CA 1.019 46.068 45.100 -0.086 0.000 0.780 1048 G HN 0.566 nan 8.290 nan 0.000 0.537 1049 R N 0.014 120.470 120.500 -0.074 0.000 2.092 1049 R HA 0.068 4.408 4.340 0.000 0.000 0.231 1049 R C 2.541 178.806 176.300 -0.059 0.000 1.119 1049 R CA 0.912 56.975 56.100 -0.061 0.000 0.970 1049 R CB -0.315 29.951 30.300 -0.057 0.000 0.864 1049 R HN 0.424 nan 8.270 nan 0.000 0.440 1050 I N 0.731 121.259 120.570 -0.070 0.000 2.208 1050 I HA -0.311 3.859 4.170 0.000 0.000 0.245 1050 I C 2.043 178.132 176.117 -0.047 0.000 1.097 1050 I CA 0.923 62.187 61.300 -0.059 0.000 1.363 1050 I CB -0.211 37.747 38.000 -0.070 0.000 1.051 1050 I HN 0.212 nan 8.210 nan 0.000 0.413 1051 I N 1.026 121.567 120.570 -0.049 0.000 2.179 1051 I HA -0.276 3.894 4.170 0.000 0.000 0.242 1051 I C 2.857 178.954 176.117 -0.033 0.000 1.088 1051 I CA 1.768 63.047 61.300 -0.035 0.000 1.357 1051 I CB -1.530 36.451 38.000 -0.032 0.000 1.051 1051 I HN 0.192 nan 8.210 nan 0.000 0.409 1052 A N 0.282 123.079 122.820 -0.039 0.000 1.933 1052 A HA -0.186 4.134 4.320 0.000 0.000 0.218 1052 A C 2.159 179.721 177.584 -0.036 0.000 1.175 1052 A CA 1.371 53.385 52.037 -0.038 0.000 0.628 1052 A CB -0.414 18.559 19.000 -0.044 0.000 0.814 1052 A HN 0.369 nan 8.150 nan 0.000 0.444 1053 E N -0.458 119.720 120.200 -0.037 0.000 2.106 1053 E HA -0.106 4.244 4.350 0.000 0.000 0.192 1053 E C 2.085 178.668 176.600 -0.029 0.000 0.984 1053 E CA 1.614 57.993 56.400 -0.033 0.000 0.806 1053 E CB -0.655 29.025 29.700 -0.034 0.000 0.750 1053 E HN 0.601 nan 8.360 nan 0.000 0.458 1054 T N 1.047 115.585 114.554 -0.027 0.000 2.770 1054 T HA -0.091 4.259 4.350 0.000 0.000 0.263 1054 T C 2.124 176.812 174.700 -0.020 0.000 1.039 1054 T CA 1.638 63.725 62.100 -0.022 0.000 1.142 1054 T CB -0.111 68.746 68.868 -0.018 0.000 0.868 1054 T HN 0.200 nan 8.240 nan 0.000 0.435 1055 V N 1.879 121.780 119.914 -0.022 0.000 2.788 1055 V HA 0.050 4.170 4.120 0.000 0.000 0.251 1055 V C 2.345 178.425 176.094 -0.023 0.000 1.068 1055 V CA 1.125 63.413 62.300 -0.020 0.000 1.090 1055 V CB -0.891 30.921 31.823 -0.019 0.000 0.710 1055 V HN 0.464 nan 8.190 nan 0.000 0.467 1056 R N 2.719 123.202 120.500 -0.028 0.000 2.193 1056 R HA -0.078 4.262 4.340 0.000 0.000 0.229 1056 R C 2.009 178.291 176.300 -0.030 0.000 1.110 1056 R CA 1.666 57.748 56.100 -0.031 0.000 0.988 1056 R CB -1.065 29.214 30.300 -0.035 0.000 0.871 1056 R HN 0.681 nan 8.270 nan 0.000 0.458 1057 S N 0.186 115.869 115.700 -0.027 0.000 2.555 1057 S HA -0.077 4.393 4.470 0.000 0.000 0.230 1057 S C 1.693 176.277 174.600 -0.026 0.000 0.978 1057 S CA 0.785 58.969 58.200 -0.027 0.000 0.934 1057 S CB 0.061 63.247 63.200 -0.024 0.000 0.766 1057 S HN 0.588 nan 8.310 nan 0.000 0.533 1058 T N -1.170 113.370 114.554 -0.024 0.000 3.014 1058 T HA 0.328 4.678 4.350 0.000 0.000 0.250 1058 T C 0.391 175.077 174.700 -0.024 0.000 1.060 1058 T CA -0.452 61.636 62.100 -0.021 0.000 1.040 1058 T CB -0.438 68.421 68.868 -0.015 0.000 0.971 1058 T HN 0.266 nan 8.240 nan 0.000 0.497 1059 L N 2.759 123.966 121.223 -0.028 0.000 2.410 1059 L HA 0.557 4.897 4.340 0.000 0.000 0.273 1059 L C 0.636 177.482 176.870 -0.040 0.000 1.152 1059 L CA 1.557 56.379 54.840 -0.030 0.000 0.855 1059 L CB -0.371 41.669 42.059 -0.031 0.000 1.129 1059 L HN 0.735 nan 8.230 nan 0.000 0.463 1060 G N 3.938 112.714 108.800 -0.040 0.000 2.662 1060 G HA2 -0.127 3.833 3.960 0.000 0.000 0.686 1060 G HA3 -0.127 3.833 3.960 0.000 0.000 0.686 1060 G C -2.146 172.706 174.900 -0.079 0.000 1.271 1060 G CA -0.459 44.604 45.100 -0.062 0.000 0.816 1060 G HN 0.488 nan 8.290 nan 0.000 0.608 1061 P HA -0.024 nan 4.420 nan 0.000 0.217 1061 P C 1.444 178.651 177.300 -0.154 0.000 1.148 1061 P CA 1.490 64.478 63.100 -0.187 0.000 0.828 1061 P CB 0.047 31.440 31.700 -0.512 0.000 0.783 1062 K N -1.011 119.300 120.400 -0.150 0.000 2.410 1062 K HA 0.243 4.563 4.320 0.000 0.000 0.200 1062 K C 1.035 177.594 176.600 -0.069 0.000 1.023 1062 K CA -0.182 56.042 56.287 -0.105 0.000 1.149 1062 K CB -0.128 32.306 32.500 -0.111 0.000 0.859 1062 K HN 0.040 nan 8.250 nan 0.000 0.514 1063 G N 0.532 109.295 108.800 -0.061 0.000 2.527 1063 G HA2 0.200 4.160 3.960 0.000 0.000 0.248 1063 G HA3 0.200 4.160 3.960 0.000 0.000 0.248 1063 G C -0.020 174.861 174.900 -0.032 0.000 1.231 1063 G CA -0.421 44.654 45.100 -0.042 0.000 0.838 1063 G HN -0.054 nan 8.290 nan 0.000 0.570 1064 M N 0.155 119.739 119.600 -0.026 0.000 2.531 1064 M HA 0.427 4.907 4.480 0.000 0.000 0.262 1064 M C -0.609 175.682 176.300 -0.015 0.000 1.168 1064 M CA -0.546 54.742 55.300 -0.020 0.000 0.926 1064 M CB 1.384 33.971 32.600 -0.021 0.000 1.445 1064 M HN 0.351 nan 8.290 nan 0.000 0.531 1065 D N 0.331 120.724 120.400 -0.013 0.000 2.374 1065 D HA 0.505 5.145 4.640 0.000 0.000 0.239 1065 D C -0.624 175.669 176.300 -0.011 0.000 0.991 1065 D CA -0.415 53.580 54.000 -0.009 0.000 0.960 1065 D CB 1.382 42.179 40.800 -0.005 0.000 1.284 1065 D HN 0.100 nan 8.370 nan 0.000 0.512 1066 K N 0.682 121.078 120.400 -0.007 0.000 2.259 1066 K HA 0.503 4.823 4.320 0.000 0.000 0.249 1066 K C -0.678 175.918 176.600 -0.007 0.000 0.942 1066 K CA -0.669 55.614 56.287 -0.007 0.000 0.816 1066 K CB 2.320 34.817 32.500 -0.004 0.000 1.155 1066 K HN 0.438 nan 8.250 nan 0.000 0.428 1067 M N 3.626 123.219 119.600 -0.012 0.000 2.046 1067 M HA 0.287 4.767 4.480 0.000 0.000 0.309 1067 M C -1.682 174.615 176.300 -0.004 0.000 0.935 1067 M CA -0.962 54.329 55.300 -0.015 0.000 0.915 1067 M CB 0.532 33.111 32.600 -0.035 0.000 1.474 1067 M HN 0.348 nan 8.290 nan 0.000 0.415 1068 L N 6.000 127.228 121.223 0.009 0.000 2.280 1068 L HA 0.529 4.869 4.340 0.000 0.000 0.287 1068 L C -0.859 176.024 176.870 0.021 0.000 1.023 1068 L CA -0.332 54.516 54.840 0.013 0.000 0.819 1068 L CB 1.758 43.826 42.059 0.016 0.000 1.212 1068 L HN 0.408 nan 8.230 nan 0.000 0.420 1069 V N 2.829 122.752 119.914 0.015 0.000 2.378 1069 V HA 0.342 4.462 4.120 0.000 0.000 0.288 1069 V C -0.152 175.953 176.094 0.017 0.000 1.016 1069 V CA -0.959 61.353 62.300 0.019 0.000 0.840 1069 V CB 1.397 33.228 31.823 0.013 0.000 0.994 1069 V HN 0.798 nan 8.190 nan 0.000 0.431 1070 D N 3.554 123.966 120.400 0.021 0.000 2.380 1070 D HA -0.008 4.632 4.640 0.000 0.000 0.254 1070 D C 1.042 177.351 176.300 0.014 0.000 1.288 1070 D CA -0.218 53.792 54.000 0.017 0.000 1.008 1070 D CB 0.480 41.290 40.800 0.017 0.000 1.099 1070 D HN 0.562 nan 8.370 nan 0.000 0.537 1071 D N -0.885 119.522 120.400 0.012 0.000 2.371 1071 D HA -0.121 4.519 4.640 0.000 0.000 0.221 1071 D C 1.595 177.901 176.300 0.011 0.000 0.986 1071 D CA 0.494 54.501 54.000 0.011 0.000 0.899 1071 D CB -0.165 40.640 40.800 0.010 0.000 0.902 1071 D HN 0.390 nan 8.370 nan 0.000 0.530 1072 L N -0.943 120.287 121.223 0.012 0.000 2.590 1072 L HA 0.322 4.662 4.340 0.000 0.000 0.227 1072 L C 1.749 178.628 176.870 0.015 0.000 1.099 1072 L CA 0.494 55.341 54.840 0.012 0.000 0.872 1072 L CB 0.339 42.406 42.059 0.012 0.000 1.088 1072 L HN 0.287 nan 8.230 nan 0.000 0.479 1073 G N -0.231 108.579 108.800 0.017 0.000 2.201 1073 G HA2 -0.247 3.713 3.960 0.000 0.000 0.212 1073 G HA3 -0.247 3.713 3.960 0.000 0.000 0.212 1073 G C 0.061 174.979 174.900 0.030 0.000 0.994 1073 G CA -0.063 45.049 45.100 0.020 0.000 0.644 1073 G HN 0.305 nan 8.290 nan 0.000 0.508 1074 D N 1.282 121.701 120.400 0.032 0.000 2.434 1074 D HA 0.376 5.016 4.640 0.000 0.000 0.252 1074 D C 0.523 176.860 176.300 0.062 0.000 1.185 1074 D CA 0.240 54.267 54.000 0.044 0.000 0.886 1074 D CB 1.086 41.905 40.800 0.031 0.000 1.148 1074 D HN 0.230 nan 8.370 nan 0.000 0.483 1075 V N 4.885 124.863 119.914 0.107 0.000 2.370 1075 V HA 0.260 4.380 4.120 0.000 0.000 0.279 1075 V C 0.230 176.466 176.094 0.237 0.000 1.029 1075 V CA -0.833 61.547 62.300 0.134 0.000 0.870 1075 V CB 1.618 33.502 31.823 0.103 0.000 0.984 1075 V HN 0.327 nan 8.190 nan 0.000 0.451 1076 V N 6.019 126.013 119.914 0.134 0.000 2.357 1076 V HA 0.422 4.542 4.120 0.000 0.000 0.284 1076 V C -0.161 175.997 176.094 0.107 0.000 1.018 1076 V CA -0.507 61.875 62.300 0.137 0.000 0.841 1076 V CB 1.802 33.668 31.823 0.071 0.000 0.991 1076 V HN 0.606 nan 8.190 nan 0.000 0.437 1077 V N 4.670 124.689 119.914 0.173 0.000 2.350 1077 V HA 0.710 4.830 4.120 0.000 0.000 0.285 1077 V C 0.074 176.217 176.094 0.083 0.000 1.014 1077 V CA 0.027 62.371 62.300 0.075 0.000 0.831 1077 V CB 1.552 33.364 31.823 -0.018 0.000 1.000 1077 V HN 0.979 nan 8.190 nan 0.000 0.433 1078 T N 2.717 117.297 114.554 0.043 0.000 2.792 1078 T HA 0.334 4.684 4.350 0.000 0.000 0.303 1078 T C 0.150 174.861 174.700 0.017 0.000 1.310 1078 T CA -0.342 61.778 62.100 0.034 0.000 1.007 1078 T CB 2.140 71.028 68.868 0.032 0.000 1.335 1078 T HN 0.560 nan 8.240 nan 0.000 0.504 1079 N N 0.285 118.994 118.700 0.014 0.000 2.257 1079 N HA 0.118 4.858 4.740 0.000 0.000 0.200 1079 N C -0.805 174.707 175.510 0.004 0.000 1.163 1079 N CA 0.083 53.136 53.050 0.006 0.000 0.891 1079 N CB 0.463 38.953 38.487 0.005 0.000 1.067 1079 N HN 0.610 nan 8.380 nan 0.000 0.497 1080 D N -0.010 120.395 120.400 0.008 0.000 2.401 1080 D HA 0.157 4.797 4.640 0.000 0.000 0.254 1080 D C 1.369 177.671 176.300 0.003 0.000 1.192 1080 D CA 0.211 54.214 54.000 0.005 0.000 0.885 1080 D CB 1.116 41.921 40.800 0.008 0.000 1.147 1080 D HN 0.250 nan 8.370 nan 0.000 0.478 1081 G N 1.625 110.424 108.800 -0.001 0.000 2.421 1081 G HA2 -0.241 3.719 3.960 0.000 0.000 0.216 1081 G HA3 -0.241 3.719 3.960 0.000 0.000 0.216 1081 G C 1.537 176.436 174.900 -0.001 0.000 1.171 1081 G CA 0.326 45.424 45.100 -0.003 0.000 0.775 1081 G HN 0.461 nan 8.290 nan 0.000 0.543 1082 V N 0.827 120.741 119.914 0.000 0.000 2.490 1082 V HA -0.129 3.991 4.120 0.000 0.000 0.250 1082 V C 2.925 179.021 176.094 0.005 0.000 1.061 1082 V CA 2.878 65.180 62.300 0.002 0.000 1.064 1082 V CB -0.615 31.210 31.823 0.002 0.000 0.670 1082 V HN 0.403 nan 8.190 nan 0.000 0.461 1083 T N 0.536 115.093 114.554 0.006 0.000 2.812 1083 T HA -0.045 4.305 4.350 0.000 0.000 0.264 1083 T C 1.759 176.465 174.700 0.009 0.000 1.042 1083 T CA 1.912 64.017 62.100 0.008 0.000 1.140 1083 T CB -0.261 68.613 68.868 0.010 0.000 0.870 1083 T HN 0.474 nan 8.240 nan 0.000 0.445 1084 I N 0.652 121.227 120.570 0.008 0.000 2.264 1084 I HA -0.149 4.021 4.170 0.000 0.000 0.248 1084 I C 2.013 178.134 176.117 0.007 0.000 1.111 1084 I CA 0.915 62.219 61.300 0.007 0.000 1.382 1084 I CB -0.271 37.731 38.000 0.003 0.000 1.060 1084 I HN 0.163 nan 8.210 nan 0.000 0.418 1085 L N 0.230 121.456 121.223 0.005 0.000 2.156 1085 L HA -0.100 4.240 4.340 0.000 0.000 0.208 1085 L C 2.523 179.399 176.870 0.009 0.000 1.095 1085 L CA 1.616 56.460 54.840 0.006 0.000 0.770 1085 L CB -0.765 41.297 42.059 0.004 0.000 0.914 1085 L HN 0.095 nan 8.230 nan 0.000 0.439 1086 R N -0.850 119.655 120.500 0.009 0.000 2.075 1086 R HA -0.097 4.243 4.340 0.000 0.000 0.232 1086 R C 2.033 178.340 176.300 0.011 0.000 1.126 1086 R CA 0.956 57.062 56.100 0.010 0.000 0.963 1086 R CB -0.111 30.194 30.300 0.009 0.000 0.858 1086 R HN 0.319 nan 8.270 nan 0.000 0.435 1087 E N 0.874 121.081 120.200 0.012 0.000 2.086 1087 E HA -0.060 4.290 4.350 0.000 0.000 0.190 1087 E C 1.223 177.831 176.600 0.013 0.000 0.975 1087 E CA 0.502 56.910 56.400 0.013 0.000 0.813 1087 E CB -0.125 29.584 29.700 0.015 0.000 0.768 1087 E HN 0.355 nan 8.360 nan 0.000 0.457 1088 M N -0.037 119.570 119.600 0.012 0.000 2.240 1088 M HA 0.091 4.571 4.480 0.000 0.000 0.317 1088 M C 0.509 176.818 176.300 0.014 0.000 1.087 1088 M CA 0.356 55.663 55.300 0.012 0.000 1.176 1088 M CB 0.541 33.147 32.600 0.010 0.000 1.439 1088 M HN -0.257 nan 8.290 nan 0.000 0.452 1089 S N 2.204 117.913 115.700 0.015 0.000 2.473 1089 S HA 0.439 4.909 4.470 0.000 0.000 0.312 1089 S C -0.730 173.884 174.600 0.023 0.000 1.087 1089 S CA -0.790 57.421 58.200 0.018 0.000 1.077 1089 S CB -0.281 62.929 63.200 0.017 0.000 1.065 1089 S HN 0.516 nan 8.310 nan 0.000 0.510 1090 V N 5.667 125.597 119.914 0.027 0.000 2.439 1090 V HA 0.399 4.519 4.120 0.000 0.000 0.282 1090 V C 0.721 176.843 176.094 0.047 0.000 1.039 1090 V CA -0.379 61.944 62.300 0.038 0.000 0.913 1090 V CB 1.637 33.483 31.823 0.038 0.000 0.983 1090 V HN 0.779 nan 8.190 nan 0.000 0.460 1091 E N 1.087 121.326 120.200 0.065 0.000 2.256 1091 E HA 0.084 4.434 4.350 0.000 0.000 0.198 1091 E C 0.726 177.375 176.600 0.082 0.000 0.908 1091 E CA 0.072 56.509 56.400 0.062 0.000 0.915 1091 E CB 0.001 29.736 29.700 0.058 0.000 0.890 1091 E HN 0.692 nan 8.360 nan 0.000 0.484 1092 H N 2.794 121.880 119.070 0.028 0.000 2.886 1092 H HA 0.024 4.580 4.556 0.000 0.000 0.329 1092 H C -1.713 173.631 175.328 0.027 0.000 1.044 1092 H CA -1.269 54.799 56.048 0.033 0.000 1.456 1092 H CB 1.448 31.214 29.762 0.007 0.000 1.464 1092 H HN -0.191 nan 8.280 nan 0.000 0.573 1093 P HA -0.125 nan 4.420 nan 0.000 0.218 1093 P C 1.050 178.468 177.300 0.197 0.000 1.148 1093 P CA 1.942 65.096 63.100 0.091 0.000 0.822 1093 P CB 0.146 31.848 31.700 0.004 0.000 0.784 1094 A N 0.004 123.083 122.820 0.431 0.000 1.898 1094 A HA -0.045 4.275 4.320 0.000 0.000 0.216 1094 A C 2.315 179.950 177.584 0.084 0.000 1.181 1094 A CA 1.884 54.043 52.037 0.204 0.000 0.620 1094 A CB -1.540 17.512 19.000 0.086 0.000 0.819 1094 A HN 0.187 nan 8.150 nan 0.000 0.442 1095 A N -0.117 122.751 122.820 0.080 0.000 1.972 1095 A HA -0.136 4.184 4.320 0.000 0.000 0.219 1095 A C 2.071 179.682 177.584 0.045 0.000 1.169 1095 A CA 1.727 53.782 52.037 0.029 0.000 0.635 1095 A CB -0.390 18.624 19.000 0.023 0.000 0.810 1095 A HN 0.546 nan 8.150 nan 0.000 0.446 1096 K N -0.974 119.469 120.400 0.070 0.000 2.097 1096 K HA -0.058 4.262 4.320 0.000 0.000 0.205 1096 K C 1.890 178.514 176.600 0.041 0.000 1.050 1096 K CA 1.342 57.659 56.287 0.051 0.000 0.938 1096 K CB -0.207 32.325 32.500 0.053 0.000 0.718 1096 K HN 0.358 nan 8.250 nan 0.000 0.442 1097 M N 0.593 120.222 119.600 0.048 0.000 2.254 1097 M HA -0.066 4.414 4.480 0.000 0.000 0.265 1097 M C 2.152 178.467 176.300 0.026 0.000 1.066 1097 M CA 1.132 56.454 55.300 0.037 0.000 1.123 1097 M CB -0.656 31.971 32.600 0.043 0.000 1.388 1097 M HN 0.204 nan 8.290 nan 0.000 0.425 1098 L N 0.108 121.344 121.223 0.021 0.000 2.083 1098 L HA -0.201 4.139 4.340 0.000 0.000 0.209 1098 L C 2.216 179.091 176.870 0.009 0.000 1.083 1098 L CA 1.036 55.882 54.840 0.010 0.000 0.752 1098 L CB -0.164 41.894 42.059 -0.002 0.000 0.899 1098 L HN 0.189 nan 8.230 nan 0.000 0.433 1099 I N -0.449 120.129 120.570 0.013 0.000 2.286 1099 I HA -0.283 3.887 4.170 0.000 0.000 0.248 1099 I C 2.439 178.563 176.117 0.012 0.000 1.115 1099 I CA 1.008 62.315 61.300 0.012 0.000 1.392 1099 I CB -0.319 37.691 38.000 0.015 0.000 1.065 1099 I HN 0.277 nan 8.210 nan 0.000 0.418 1100 E N 0.470 120.679 120.200 0.015 0.000 2.110 1100 E HA -0.156 4.194 4.350 0.000 0.000 0.193 1100 E C 2.430 179.038 176.600 0.012 0.000 0.988 1100 E CA 1.110 57.519 56.400 0.014 0.000 0.804 1100 E CB -0.273 29.437 29.700 0.018 0.000 0.745 1100 E HN 0.357 nan 8.360 nan 0.000 0.458 1101 V N 1.536 121.458 119.914 0.012 0.000 2.358 1101 V HA -0.231 3.889 4.120 0.000 0.000 0.246 1101 V C 2.462 178.560 176.094 0.006 0.000 1.047 1101 V CA 1.771 64.076 62.300 0.010 0.000 1.035 1101 V CB -0.819 31.009 31.823 0.009 0.000 0.658 1101 V HN 0.242 nan 8.190 nan 0.000 0.452 1102 A N -0.353 122.469 122.820 0.004 0.000 1.933 1102 A HA -0.217 4.103 4.320 0.000 0.000 0.218 1102 A C 2.284 179.870 177.584 0.004 0.000 1.175 1102 A CA 1.802 53.840 52.037 0.002 0.000 0.628 1102 A CB -0.396 18.604 19.000 0.001 0.000 0.814 1102 A HN 0.542 nan 8.150 nan 0.000 0.444 1103 K N -0.940 119.463 120.400 0.006 0.000 2.148 1103 K HA -0.062 4.258 4.320 0.000 0.000 0.204 1103 K C 1.988 178.591 176.600 0.005 0.000 1.050 1103 K CA 1.515 57.806 56.287 0.006 0.000 0.942 1103 K CB -0.278 32.227 32.500 0.007 0.000 0.724 1103 K HN 0.451 nan 8.250 nan 0.000 0.446 1104 T N 1.419 115.977 114.554 0.006 0.000 2.777 1104 T HA -0.115 4.235 4.350 0.000 0.000 0.266 1104 T C 1.810 176.513 174.700 0.005 0.000 1.040 1104 T CA 1.007 63.110 62.100 0.006 0.000 1.141 1104 T CB -0.032 68.841 68.868 0.008 0.000 0.868 1104 T HN 0.158 nan 8.240 nan 0.000 0.444 1105 Q N 0.744 120.547 119.800 0.004 0.000 2.124 1105 Q HA -0.098 4.242 4.340 0.000 0.000 0.202 1105 Q C 2.349 178.350 176.000 0.002 0.000 0.977 1105 Q CA 1.323 57.127 55.803 0.002 0.000 0.850 1105 Q CB -0.409 28.330 28.738 0.000 0.000 0.901 1105 Q HN 0.553 nan 8.270 nan 0.000 0.429 1106 E N 1.371 121.573 120.200 0.002 0.000 2.051 1106 E HA -0.172 4.178 4.350 0.000 0.000 0.192 1106 E C 1.899 178.500 176.600 0.002 0.000 0.991 1106 E CA 1.388 57.789 56.400 0.002 0.000 0.799 1106 E CB -0.077 29.625 29.700 0.002 0.000 0.748 1106 E HN 0.055 nan 8.360 nan 0.000 0.449 1107 K N 0.057 120.459 120.400 0.002 0.000 2.057 1107 K HA -0.147 4.173 4.320 0.000 0.000 0.206 1107 K C 1.786 178.387 176.600 0.001 0.000 1.050 1107 K CA 1.379 57.666 56.287 0.001 0.000 0.935 1107 K CB 0.008 32.509 32.500 0.002 0.000 0.715 1107 K HN 0.155 nan 8.250 nan 0.000 0.439 1108 E N 0.071 120.272 120.200 0.002 0.000 2.033 1108 E HA -0.095 4.255 4.350 0.000 0.000 0.189 1108 E C 1.994 178.595 176.600 0.001 0.000 0.979 1108 E CA 1.687 58.088 56.400 0.002 0.000 0.802 1108 E CB 0.147 29.849 29.700 0.003 0.000 0.763 1108 E HN 0.340 nan 8.360 nan 0.000 0.449 1109 V N -4.823 115.092 119.914 0.001 0.000 3.562 1109 V HA 0.520 4.640 4.120 0.000 0.000 0.270 1109 V C 1.390 177.484 176.094 0.001 0.000 1.418 1109 V CA 0.856 63.157 62.300 0.001 0.000 1.033 1109 V CB 0.646 32.470 31.823 0.002 0.000 0.820 1109 V HN 0.301 nan 8.190 nan 0.000 0.441 1110 G N 0.761 109.562 108.800 0.001 0.000 4.365 1110 G HA2 -0.277 3.683 3.960 0.000 0.000 0.214 1110 G HA3 -0.277 3.683 3.960 0.000 0.000 0.214 1110 G C 0.161 175.062 174.900 0.002 0.000 1.450 1110 G CA 0.505 45.606 45.100 0.001 0.000 0.937 1110 G HN 0.627 nan 8.290 nan 0.000 0.625 1111 D N 1.169 121.570 120.400 0.003 0.000 2.506 1111 D HA 0.485 5.125 4.640 0.000 0.000 0.272 1111 D C 1.555 177.856 176.300 0.001 0.000 1.214 1111 D CA 1.171 55.172 54.000 0.003 0.000 1.067 1111 D CB 0.658 41.461 40.800 0.006 0.000 1.117 1111 D HN 1.621 nan 8.370 nan 0.000 0.578 1112 G N -0.493 108.307 108.800 -0.000 0.000 2.162 1112 G HA2 -0.341 3.619 3.960 0.000 0.000 0.260 1112 G HA3 -0.341 3.619 3.960 0.000 0.000 0.260 1112 G C 1.091 175.987 174.900 -0.007 0.000 0.976 1112 G CA 1.633 46.731 45.100 -0.004 0.000 0.655 1112 G HN 0.614 nan 8.290 nan 0.000 0.533 1113 T N -2.488 112.062 114.554 -0.006 0.000 2.674 1113 T HA -0.121 4.229 4.350 0.000 0.000 0.265 1113 T C 2.241 176.934 174.700 -0.012 0.000 1.039 1113 T CA 2.558 64.654 62.100 -0.007 0.000 1.150 1113 T CB -0.809 68.057 68.868 -0.004 0.000 0.864 1113 T HN 0.355 nan 8.240 nan 0.000 0.427 1114 T N 2.446 116.993 114.554 -0.012 0.000 2.720 1114 T HA -0.127 4.223 4.350 0.000 0.000 0.268 1114 T C 2.435 177.120 174.700 -0.025 0.000 1.037 1114 T CA 2.144 64.234 62.100 -0.018 0.000 1.144 1114 T CB -1.039 67.819 68.868 -0.016 0.000 0.864 1114 T HN 0.843 nan 8.240 nan 0.000 0.444 1115 T N 0.767 115.307 114.554 -0.024 0.000 2.867 1115 T HA 0.100 4.450 4.350 0.000 0.000 0.268 1115 T C 2.245 176.922 174.700 -0.039 0.000 1.057 1115 T CA 1.018 63.099 62.100 -0.033 0.000 1.136 1115 T CB -0.494 68.357 68.868 -0.028 0.000 0.874 1115 T HN 0.335 nan 8.240 nan 0.000 0.466 1116 A N 1.084 123.886 122.820 -0.030 0.000 1.898 1116 A HA 0.128 4.448 4.320 0.000 0.000 0.216 1116 A C 2.606 180.169 177.584 -0.035 0.000 1.181 1116 A CA 1.473 53.491 52.037 -0.031 0.000 0.620 1116 A CB -0.959 18.030 19.000 -0.018 0.000 0.819 1116 A HN 0.426 nan 8.150 nan 0.000 0.442 1117 V N -0.543 119.353 119.914 -0.031 0.000 2.358 1117 V HA -0.191 3.929 4.120 0.000 0.000 0.246 1117 V C 2.548 178.616 176.094 -0.044 0.000 1.047 1117 V CA 1.847 64.128 62.300 -0.032 0.000 1.035 1117 V CB -0.723 31.085 31.823 -0.025 0.000 0.658 1117 V HN 0.353 nan 8.190 nan 0.000 0.452 1118 V N -0.567 119.318 119.914 -0.047 0.000 2.307 1118 V HA -0.197 3.924 4.120 0.000 0.000 0.245 1118 V C 2.449 178.499 176.094 -0.074 0.000 1.045 1118 V CA 2.049 64.316 62.300 -0.055 0.000 1.024 1118 V CB -0.257 31.535 31.823 -0.051 0.000 0.651 1118 V HN 0.416 nan 8.190 nan 0.000 0.449 1119 V N -0.006 119.857 119.914 -0.086 0.000 2.515 1119 V HA -0.168 3.952 4.120 0.000 0.000 0.250 1119 V C 2.505 178.514 176.094 -0.141 0.000 1.058 1119 V CA 1.958 64.182 62.300 -0.126 0.000 1.064 1119 V CB -0.209 31.530 31.823 -0.138 0.000 0.675 1119 V HN 0.521 nan 8.190 nan 0.000 0.461 1120 A N -0.223 122.537 122.820 -0.100 0.000 1.929 1120 A HA 0.036 4.356 4.320 0.000 0.000 0.216 1120 A C 2.325 179.869 177.584 -0.067 0.000 1.176 1120 A CA 1.585 53.574 52.037 -0.080 0.000 0.628 1120 A CB -1.133 17.839 19.000 -0.046 0.000 0.816 1120 A HN 0.586 nan 8.150 nan 0.000 0.444 1121 G N -0.371 108.391 108.800 -0.064 0.000 2.418 1121 G HA2 -0.220 3.740 3.960 0.000 0.000 0.217 1121 G HA3 -0.220 3.740 3.960 0.000 0.000 0.217 1121 G C 1.472 176.337 174.900 -0.059 0.000 1.158 1121 G CA 1.311 46.377 45.100 -0.055 0.000 0.771 1121 G HN 0.555 nan 8.290 nan 0.000 0.545 1122 E N -0.037 120.116 120.200 -0.077 0.000 2.107 1122 E HA -0.034 4.316 4.350 0.000 0.000 0.191 1122 E C 2.280 178.826 176.600 -0.090 0.000 0.982 1122 E CA 0.385 56.736 56.400 -0.082 0.000 0.809 1122 E CB -0.396 29.244 29.700 -0.101 0.000 0.756 1122 E HN 0.251 nan 8.360 nan 0.000 0.459 1123 L N 0.155 121.299 121.223 -0.131 0.000 2.083 1123 L HA -0.087 4.253 4.340 0.000 0.000 0.209 1123 L C 1.996 178.862 176.870 -0.007 0.000 1.083 1123 L CA 1.596 56.338 54.840 -0.165 0.000 0.752 1123 L CB -0.370 41.538 42.059 -0.251 0.000 0.899 1123 L HN 0.262 nan 8.230 nan 0.000 0.433 1124 L N -1.182 120.044 121.223 0.005 0.000 2.109 1124 L HA -0.151 4.189 4.340 0.000 0.000 0.207 1124 L C 2.691 179.578 176.870 0.029 0.000 1.086 1124 L CA 1.017 55.881 54.840 0.041 0.000 0.760 1124 L CB -0.484 41.579 42.059 0.007 0.000 0.910 1124 L HN 0.242 nan 8.230 nan 0.000 0.437 1125 R N 0.715 121.215 120.500 -0.000 0.000 2.091 1125 R HA -0.145 4.195 4.340 0.000 0.000 0.238 1125 R C 2.198 178.510 176.300 0.020 0.000 1.136 1125 R CA 1.477 57.575 56.100 -0.003 0.000 0.959 1125 R CB -0.115 30.172 30.300 -0.022 0.000 0.856 1125 R HN 0.068 nan 8.270 nan 0.000 0.437 1126 K N -0.088 120.333 120.400 0.035 0.000 2.155 1126 K HA 0.083 4.403 4.320 0.000 0.000 0.203 1126 K C 1.921 178.605 176.600 0.139 0.000 1.052 1126 K CA 1.125 57.456 56.287 0.074 0.000 0.948 1126 K CB -0.220 32.319 32.500 0.065 0.000 0.728 1126 K HN 0.290 nan 8.250 nan 0.000 0.448 1127 A N 1.446 124.375 122.820 0.182 0.000 1.933 1127 A HA -0.190 4.130 4.320 0.000 0.000 0.218 1127 A C 2.129 179.747 177.584 0.058 0.000 1.175 1127 A CA 1.617 53.749 52.037 0.158 0.000 0.628 1127 A CB -0.351 18.767 19.000 0.197 0.000 0.814 1127 A HN 0.421 nan 8.150 nan 0.000 0.444 1128 E N -0.410 119.816 120.200 0.042 0.000 2.106 1128 E HA -0.195 4.155 4.350 0.000 0.000 0.192 1128 E C 1.739 178.347 176.600 0.012 0.000 0.984 1128 E CA 1.030 57.438 56.400 0.014 0.000 0.806 1128 E CB -0.036 29.666 29.700 0.003 0.000 0.750 1128 E HN 0.524 nan 8.360 nan 0.000 0.458 1129 E N 0.501 120.716 120.200 0.024 0.000 2.110 1129 E HA -0.172 4.178 4.350 0.000 0.000 0.193 1129 E C 2.243 178.855 176.600 0.019 0.000 0.988 1129 E CA 0.731 57.143 56.400 0.021 0.000 0.804 1129 E CB -0.144 29.574 29.700 0.029 0.000 0.745 1129 E HN 0.403 nan 8.360 nan 0.000 0.458 1130 L N 0.061 121.300 121.223 0.026 0.000 2.093 1130 L HA -0.163 4.177 4.340 0.000 0.000 0.208 1130 L C 2.293 179.158 176.870 -0.010 0.000 1.085 1130 L CA 0.363 55.208 54.840 0.010 0.000 0.755 1130 L CB -0.284 41.775 42.059 0.000 0.000 0.904 1130 L HN 0.120 nan 8.230 nan 0.000 0.435 1131 L N -0.184 121.031 121.223 -0.014 0.000 2.141 1131 L HA -0.208 4.132 4.340 0.000 0.000 0.209 1131 L C 2.071 178.931 176.870 -0.017 0.000 1.094 1131 L CA 1.665 56.490 54.840 -0.025 0.000 0.763 1131 L CB -0.800 41.243 42.059 -0.027 0.000 0.908 1131 L HN 0.225 nan 8.230 nan 0.000 0.437 1132 D N -1.367 119.028 120.400 -0.007 0.000 2.178 1132 D HA -0.169 4.471 4.640 0.000 0.000 0.202 1132 D C 1.900 178.199 176.300 -0.002 0.000 0.974 1132 D CA 0.756 54.754 54.000 -0.004 0.000 0.841 1132 D CB 0.224 41.024 40.800 -0.000 0.000 0.953 1132 D HN 0.218 nan 8.370 nan 0.000 0.478 1133 Q N 0.031 119.831 119.800 -0.000 0.000 2.444 1133 Q HA 0.056 4.396 4.340 0.000 0.000 0.206 1133 Q C 0.035 176.035 176.000 0.001 0.000 0.948 1133 Q CA 0.209 56.013 55.803 0.002 0.000 0.946 1133 Q CB 0.150 28.892 28.738 0.007 0.000 1.027 1133 Q HN 0.363 nan 8.270 nan 0.000 0.513 1134 N N -0.211 118.486 118.700 -0.005 0.000 2.780 1134 N HA -0.135 4.605 4.740 0.000 0.000 0.248 1134 N C -0.904 174.607 175.510 0.002 0.000 1.102 1134 N CA 0.403 53.450 53.050 -0.005 0.000 0.697 1134 N CB -1.768 36.721 38.487 0.003 0.000 1.028 1134 N HN 0.007 nan 8.380 nan 0.000 0.554 1135 V N 1.769 121.679 119.914 -0.006 0.000 2.408 1135 V HA 0.062 4.182 4.120 0.000 0.000 0.267 1135 V C 1.132 177.223 176.094 -0.004 0.000 1.047 1135 V CA -0.568 61.734 62.300 0.003 0.000 0.937 1135 V CB 1.126 32.941 31.823 -0.013 0.000 0.999 1135 V HN 0.287 nan 8.190 nan 0.000 0.472 1136 H N 8.312 127.361 119.070 -0.036 0.000 3.001 1136 H HA 0.026 4.582 4.556 0.000 0.000 0.334 1136 H C -1.665 173.632 175.328 -0.051 0.000 1.034 1136 H CA -1.131 54.897 56.048 -0.034 0.000 1.420 1136 H CB 1.604 31.349 29.762 -0.028 0.000 1.405 1136 H HN 0.383 nan 8.280 nan 0.000 0.593 1137 P HA -0.187 nan 4.420 nan 0.000 0.217 1137 P C 1.414 178.738 177.300 0.041 0.000 1.148 1137 P CA 2.559 65.594 63.100 -0.109 0.000 0.834 1137 P CB 0.023 31.622 31.700 -0.168 0.000 0.783 1138 T N -4.119 110.605 114.554 0.282 0.000 3.023 1138 T HA 0.001 4.351 4.350 0.000 0.000 0.266 1138 T C 1.752 176.481 174.700 0.047 0.000 1.093 1138 T CA 0.676 62.863 62.100 0.146 0.000 1.129 1138 T CB -1.041 67.896 68.868 0.115 0.000 0.899 1138 T HN 0.059 nan 8.240 nan 0.000 0.491 1139 I N 0.812 121.417 120.570 0.058 0.000 2.333 1139 I HA -0.048 4.122 4.170 0.000 0.000 0.246 1139 I C 2.622 178.684 176.117 -0.090 0.000 1.106 1139 I CA 0.475 61.768 61.300 -0.011 0.000 1.411 1139 I CB -0.331 37.675 38.000 0.010 0.000 1.082 1139 I HN 0.093 nan 8.210 nan 0.000 0.420 1140 V N 1.270 121.096 119.914 -0.147 0.000 2.255 1140 V HA -0.250 3.870 4.120 0.000 0.000 0.247 1140 V C 2.562 178.314 176.094 -0.569 0.000 1.051 1140 V CA 2.200 64.274 62.300 -0.377 0.000 1.018 1140 V CB -0.666 30.940 31.823 -0.360 0.000 0.641 1140 V HN 0.482 nan 8.190 nan 0.000 0.445 1141 V N -1.335 118.406 119.914 -0.289 0.000 2.809 1141 V HA -0.145 3.975 4.120 0.000 0.000 0.256 1141 V C 2.237 178.307 176.094 -0.040 0.000 1.080 1141 V CA 2.137 64.358 62.300 -0.132 0.000 1.102 1141 V CB -0.758 31.053 31.823 -0.021 0.000 0.705 1141 V HN 0.554 nan 8.190 nan 0.000 0.475 1142 K N 1.306 121.671 120.400 -0.057 0.000 2.025 1142 K HA -0.001 4.319 4.320 0.000 0.000 0.207 1142 K C 2.204 178.804 176.600 0.002 0.000 1.049 1142 K CA 1.662 57.938 56.287 -0.018 0.000 0.933 1142 K CB -0.814 31.672 32.500 -0.022 0.000 0.714 1142 K HN 0.525 nan 8.250 nan 0.000 0.438 1143 G N -0.147 108.646 108.800 -0.011 0.000 2.408 1143 G HA2 -0.217 3.743 3.960 0.000 0.000 0.217 1143 G HA3 -0.217 3.743 3.960 0.000 0.000 0.217 1143 G C 1.144 176.138 174.900 0.157 0.000 1.150 1143 G CA 0.557 45.695 45.100 0.064 0.000 0.776 1143 G HN 0.251 nan 8.290 nan 0.000 0.542 1144 Y N 0.397 120.673 120.300 -0.040 0.000 2.242 1144 Y HA -0.051 4.499 4.550 -0.000 0.000 0.291 1144 Y C 2.862 178.606 175.900 -0.260 0.000 1.137 1144 Y CA 1.010 59.037 58.100 -0.121 0.000 1.181 1144 Y CB -0.865 37.657 38.460 0.104 0.000 0.989 1144 Y HN 0.273 nan 8.280 nan 0.000 0.527 1145 Q N 0.310 120.141 119.800 0.052 0.000 2.083 1145 Q HA -0.037 4.303 4.340 0.000 0.000 0.198 1145 Q C 2.365 178.325 176.000 -0.067 0.000 0.969 1145 Q CA 1.688 57.486 55.803 -0.007 0.000 0.838 1145 Q CB -0.473 28.278 28.738 0.021 0.000 0.900 1145 Q HN 0.314 nan 8.270 nan 0.000 0.436 1146 A N 0.369 123.175 122.820 -0.024 0.000 1.877 1146 A HA -0.039 4.281 4.320 0.000 0.000 0.216 1146 A C 2.289 179.843 177.584 -0.050 0.000 1.186 1146 A CA 1.980 54.042 52.037 0.041 0.000 0.620 1146 A CB -1.224 17.871 19.000 0.158 0.000 0.822 1146 A HN 0.505 nan 8.150 nan 0.000 0.443 1147 A N -0.337 122.371 122.820 -0.186 0.000 1.930 1147 A HA 0.216 4.536 4.320 0.000 0.000 0.217 1147 A C 2.461 179.668 177.584 -0.628 0.000 1.175 1147 A CA 1.926 53.710 52.037 -0.421 0.000 0.627 1147 A CB -0.891 17.730 19.000 -0.631 0.000 0.815 1147 A HN 1.026 nan 8.150 nan 0.000 0.443 1148 A N -1.130 121.252 122.820 -0.730 0.000 1.930 1148 A HA -0.141 4.179 4.320 0.000 0.000 0.217 1148 A C 2.119 179.600 177.584 -0.172 0.000 1.175 1148 A CA 1.520 53.343 52.037 -0.357 0.000 0.627 1148 A CB -0.395 18.481 19.000 -0.207 0.000 0.815 1148 A HN 0.478 nan 8.150 nan 0.000 0.443 1149 Q N -0.294 119.403 119.800 -0.172 0.000 2.079 1149 Q HA -0.172 4.168 4.340 0.000 0.000 0.200 1149 Q C 2.053 177.955 176.000 -0.163 0.000 0.974 1149 Q CA 1.868 57.597 55.803 -0.123 0.000 0.840 1149 Q CB -0.369 28.316 28.738 -0.089 0.000 0.898 1149 Q HN 0.613 nan 8.270 nan 0.000 0.430 1150 K N 0.979 121.211 120.400 -0.280 0.000 2.097 1150 K HA 0.011 4.331 4.320 0.000 0.000 0.205 1150 K C 1.832 178.306 176.600 -0.210 0.000 1.050 1150 K CA 1.204 57.277 56.287 -0.357 0.000 0.938 1150 K CB -0.447 31.578 32.500 -0.790 0.000 0.718 1150 K HN 0.122 nan 8.250 nan 0.000 0.442 1151 A N 0.619 123.346 122.820 -0.155 0.000 1.933 1151 A HA -0.211 4.109 4.320 0.000 0.000 0.218 1151 A C 2.078 179.647 177.584 -0.026 0.000 1.175 1151 A CA 1.694 53.707 52.037 -0.039 0.000 0.628 1151 A CB -0.516 18.524 19.000 0.068 0.000 0.814 1151 A HN 0.511 nan 8.150 nan 0.000 0.444 1152 Q N -0.632 119.145 119.800 -0.039 0.000 2.079 1152 Q HA -0.190 4.150 4.340 0.000 0.000 0.200 1152 Q C 1.981 177.962 176.000 -0.031 0.000 0.974 1152 Q CA 1.606 57.393 55.803 -0.025 0.000 0.840 1152 Q CB -0.180 28.542 28.738 -0.026 0.000 0.898 1152 Q HN 0.774 nan 8.270 nan 0.000 0.430 1153 E N 0.523 120.691 120.200 -0.053 0.000 2.106 1153 E HA -0.156 4.194 4.350 0.000 0.000 0.192 1153 E C 2.045 178.623 176.600 -0.036 0.000 0.984 1153 E CA 0.737 57.108 56.400 -0.048 0.000 0.806 1153 E CB -0.026 29.633 29.700 -0.069 0.000 0.750 1153 E HN 0.307 nan 8.360 nan 0.000 0.458 1154 L N 0.567 121.765 121.223 -0.042 0.000 2.056 1154 L HA -0.191 4.149 4.340 0.000 0.000 0.207 1154 L C 2.435 179.304 176.870 -0.003 0.000 1.078 1154 L CA 0.891 55.719 54.840 -0.020 0.000 0.749 1154 L CB -0.326 41.721 42.059 -0.019 0.000 0.901 1154 L HN 0.169 nan 8.230 nan 0.000 0.433 1155 L N -0.443 120.779 121.223 -0.002 0.000 2.056 1155 L HA -0.206 4.134 4.340 0.000 0.000 0.207 1155 L C 2.598 179.470 176.870 0.003 0.000 1.078 1155 L CA 1.337 56.181 54.840 0.006 0.000 0.749 1155 L CB -0.430 41.633 42.059 0.007 0.000 0.901 1155 L HN 0.206 nan 8.230 nan 0.000 0.433 1156 K N -0.729 119.669 120.400 -0.003 0.000 2.148 1156 K HA -0.098 4.222 4.320 0.000 0.000 0.204 1156 K C 2.051 178.649 176.600 -0.002 0.000 1.050 1156 K CA 1.532 57.817 56.287 -0.003 0.000 0.942 1156 K CB -0.170 32.325 32.500 -0.007 0.000 0.724 1156 K HN 0.277 nan 8.250 nan 0.000 0.446 1157 T N 1.943 116.495 114.554 -0.003 0.000 2.777 1157 T HA -0.072 4.278 4.350 0.000 0.000 0.266 1157 T C 1.860 176.561 174.700 0.003 0.000 1.040 1157 T CA 1.263 63.362 62.100 -0.001 0.000 1.141 1157 T CB -0.127 68.739 68.868 -0.002 0.000 0.868 1157 T HN 0.385 nan 8.240 nan 0.000 0.444 1158 I N -0.324 120.250 120.570 0.008 0.000 3.578 1158 I HA 0.451 4.621 4.170 0.000 0.000 0.295 1158 I C 1.036 177.158 176.117 0.009 0.000 1.280 1158 I CA -0.554 60.753 61.300 0.011 0.000 1.347 1158 I CB -0.458 37.557 38.000 0.024 0.000 1.051 1158 I HN -0.055 nan 8.210 nan 0.000 0.460 1159 A N 1.578 124.402 122.820 0.007 0.000 2.548 1159 A HA 0.101 4.421 4.320 0.000 0.000 0.247 1159 A C 0.161 177.747 177.584 0.004 0.000 1.067 1159 A CA -0.015 52.025 52.037 0.006 0.000 0.757 1159 A CB -0.280 18.722 19.000 0.003 0.000 0.996 1159 A HN 0.642 nan 8.150 nan 0.000 0.504 1160 C N 3.612 122.914 119.300 0.004 0.000 2.265 1160 C HA 0.474 4.934 4.460 0.000 0.000 0.332 1160 C C 0.493 175.484 174.990 0.001 0.000 1.248 1160 C CA -0.585 58.434 59.018 0.002 0.000 1.727 1160 C CB -0.799 26.942 27.740 0.002 0.000 2.348 1160 C HN 0.930 nan 8.230 nan 0.000 0.519 1161 E N 3.841 124.040 120.200 -0.000 0.000 2.316 1161 E HA 0.498 4.848 4.350 0.000 0.000 0.275 1161 E C -0.295 176.305 176.600 -0.001 0.000 1.029 1161 E CA -0.201 56.199 56.400 -0.001 0.000 0.871 1161 E CB 0.861 30.560 29.700 -0.001 0.000 1.022 1161 E HN 0.727 nan 8.360 nan 0.000 0.418 1162 V N 0.973 120.887 119.914 -0.001 0.000 3.102 1162 V HA 0.733 4.853 4.120 0.000 0.000 0.312 1162 V C 0.361 176.454 176.094 -0.002 0.000 1.135 1162 V CA -0.784 61.515 62.300 -0.002 0.000 1.022 1162 V CB 1.533 33.354 31.823 -0.002 0.000 1.056 1162 V HN 0.714 nan 8.190 nan 0.000 0.436 1163 G N 0.520 109.318 108.800 -0.003 0.000 2.343 1163 G HA2 0.466 4.426 3.960 0.000 0.000 0.254 1163 G HA3 0.466 4.426 3.960 0.000 0.000 0.254 1163 G C 0.986 175.884 174.900 -0.003 0.000 1.277 1163 G CA 0.172 45.270 45.100 -0.003 0.000 0.909 1163 G HN 1.658 nan 8.290 nan 0.000 0.502 1164 A N 2.472 125.290 122.820 -0.002 0.000 1.978 1164 A HA -0.099 4.221 4.320 0.000 0.000 0.220 1164 A C 2.068 179.651 177.584 -0.003 0.000 1.170 1164 A CA 1.969 54.005 52.037 -0.002 0.000 0.636 1164 A CB -0.091 18.907 19.000 -0.002 0.000 0.810 1164 A HN 0.764 nan 8.150 nan 0.000 0.448 1165 Q N -0.226 119.572 119.800 -0.002 0.000 2.175 1165 Q HA 0.299 4.639 4.340 0.000 0.000 0.225 1165 Q C -0.413 175.586 176.000 -0.003 0.000 0.837 1165 Q CA 0.165 55.967 55.803 -0.002 0.000 1.032 1165 Q CB -0.677 28.059 28.738 -0.002 0.000 1.137 1165 Q HN 0.430 nan 8.270 nan 0.000 0.483 1166 D N 0.892 121.290 120.400 -0.003 0.000 2.346 1166 D HA 0.044 4.684 4.640 0.000 0.000 0.260 1166 D C 0.997 177.294 176.300 -0.004 0.000 1.252 1166 D CA -0.069 53.929 54.000 -0.003 0.000 0.895 1166 D CB 0.900 41.698 40.800 -0.004 0.000 1.097 1166 D HN 0.078 nan 8.370 nan 0.000 0.489 1167 K N 3.622 124.020 120.400 -0.004 0.000 2.052 1167 K HA -0.304 4.016 4.320 0.000 0.000 0.215 1167 K C 1.553 178.149 176.600 -0.006 0.000 1.053 1167 K CA 2.194 58.478 56.287 -0.005 0.000 0.934 1167 K CB -0.209 32.289 32.500 -0.004 0.000 0.717 1167 K HN 0.676 nan 8.250 nan 0.000 0.450 1168 E N -0.533 119.663 120.200 -0.007 0.000 2.021 1168 E HA -0.227 4.123 4.350 0.000 0.000 0.200 1168 E C 2.010 178.605 176.600 -0.009 0.000 1.015 1168 E CA 1.768 58.163 56.400 -0.008 0.000 0.824 1168 E CB -0.299 29.397 29.700 -0.008 0.000 0.762 1168 E HN 0.345 nan 8.360 nan 0.000 0.454 1169 I N 0.551 121.117 120.570 -0.007 0.000 2.614 1169 I HA -0.189 3.981 4.170 0.000 0.000 0.258 1169 I C 1.946 178.059 176.117 -0.006 0.000 1.189 1169 I CA 0.624 61.919 61.300 -0.007 0.000 1.462 1169 I CB -0.066 37.931 38.000 -0.005 0.000 1.092 1169 I HN 0.213 nan 8.210 nan 0.000 0.442 1170 L N 0.033 121.252 121.223 -0.006 0.000 2.093 1170 L HA -0.171 4.169 4.340 0.000 0.000 0.208 1170 L C 2.654 179.520 176.870 -0.007 0.000 1.085 1170 L CA 2.372 57.208 54.840 -0.006 0.000 0.755 1170 L CB -1.409 40.647 42.059 -0.005 0.000 0.904 1170 L HN 0.476 nan 8.230 nan 0.000 0.435 1171 T N -4.828 109.721 114.554 -0.009 0.000 3.014 1171 T HA -0.081 4.269 4.350 0.000 0.000 0.263 1171 T C 1.910 176.602 174.700 -0.014 0.000 1.078 1171 T CA 0.527 62.620 62.100 -0.011 0.000 1.135 1171 T CB -0.102 68.759 68.868 -0.012 0.000 0.895 1171 T HN 0.189 nan 8.240 nan 0.000 0.480 1172 K N 0.520 120.912 120.400 -0.014 0.000 2.062 1172 K HA 0.117 4.437 4.320 0.000 0.000 0.205 1172 K C 2.137 178.730 176.600 -0.012 0.000 1.051 1172 K CA 0.826 57.104 56.287 -0.016 0.000 0.941 1172 K CB -0.157 32.334 32.500 -0.015 0.000 0.719 1172 K HN 0.236 nan 8.250 nan 0.000 0.440 1173 I N 1.336 121.902 120.570 -0.007 0.000 2.202 1173 I HA -0.202 3.968 4.170 0.000 0.000 0.242 1173 I C 2.501 178.617 176.117 -0.002 0.000 1.091 1173 I CA 1.192 62.490 61.300 -0.003 0.000 1.368 1173 I CB -1.358 36.641 38.000 -0.002 0.000 1.058 1173 I HN 0.092 nan 8.210 nan 0.000 0.410 1174 A N 0.724 123.541 122.820 -0.004 0.000 1.865 1174 A HA -0.247 4.073 4.320 0.000 0.000 0.217 1174 A C 2.412 179.994 177.584 -0.004 0.000 1.191 1174 A CA 1.989 54.024 52.037 -0.004 0.000 0.623 1174 A CB -0.622 18.374 19.000 -0.006 0.000 0.826 1174 A HN 0.353 nan 8.150 nan 0.000 0.444 1175 M N -0.323 119.271 119.600 -0.010 0.000 2.099 1175 M HA -0.132 4.348 4.480 0.000 0.000 0.262 1175 M C 2.438 178.732 176.300 -0.011 0.000 1.067 1175 M CA 2.032 57.322 55.300 -0.016 0.000 1.124 1175 M CB -0.682 31.899 32.600 -0.032 0.000 1.353 1175 M HN 0.718 nan 8.290 nan 0.000 0.410 1176 T N -2.755 111.795 114.554 -0.008 0.000 2.867 1176 T HA -0.099 4.251 4.350 0.000 0.000 0.268 1176 T C 1.889 176.606 174.700 0.030 0.000 1.057 1176 T CA 1.643 63.749 62.100 0.009 0.000 1.136 1176 T CB -0.463 68.411 68.868 0.010 0.000 0.874 1176 T HN 0.286 nan 8.240 nan 0.000 0.466 1177 S N 0.976 116.688 115.700 0.019 0.000 2.355 1177 S HA 0.042 4.512 4.470 0.000 0.000 0.222 1177 S C 1.991 176.607 174.600 0.027 0.000 1.031 1177 S CA 0.865 59.078 58.200 0.022 0.000 0.993 1177 S CB -0.604 62.604 63.200 0.012 0.000 0.859 1177 S HN 0.589 nan 8.310 nan 0.000 0.453 1178 I N 1.717 122.300 120.570 0.022 0.000 2.361 1178 I HA -0.108 4.062 4.170 0.000 0.000 0.251 1178 I C 1.219 177.363 176.117 0.045 0.000 1.133 1178 I CA 0.873 62.188 61.300 0.025 0.000 1.413 1178 I CB -0.908 37.101 38.000 0.015 0.000 1.073 1178 I HN 0.427 nan 8.210 nan 0.000 0.424 1179 T N -0.543 114.050 114.554 0.064 0.000 2.932 1179 T HA 0.315 4.665 4.350 0.000 0.000 0.312 1179 T C 1.168 175.947 174.700 0.130 0.000 1.071 1179 T CA 0.099 62.276 62.100 0.127 0.000 1.128 1179 T CB 1.273 70.259 68.868 0.196 0.000 0.984 1179 T HN 0.604 nan 8.240 nan 0.000 0.549 1180 G N 1.323 110.209 108.800 0.143 0.000 2.176 1180 G HA2 -0.216 3.744 3.960 0.000 0.000 0.253 1180 G HA3 -0.216 3.744 3.960 0.000 0.000 0.253 1180 G C -0.039 174.886 174.900 0.043 0.000 0.979 1180 G CA 0.351 45.493 45.100 0.070 0.000 0.641 1180 G HN 0.912 nan 8.290 nan 0.000 0.530 1181 K N -0.459 119.971 120.400 0.051 0.000 2.185 1181 K HA 0.681 5.001 4.320 0.000 0.000 0.240 1181 K C 1.585 178.208 176.600 0.037 0.000 0.983 1181 K CA 0.125 56.433 56.287 0.036 0.000 0.873 1181 K CB 0.841 33.360 32.500 0.032 0.000 1.118 1181 K HN 0.195 nan 8.250 nan 0.000 0.441 1182 G N 0.200 109.017 108.800 0.029 0.000 2.432 1182 G HA2 -0.226 3.735 3.960 0.000 0.000 0.219 1182 G HA3 -0.226 3.735 3.960 0.000 0.000 0.219 1182 G C 1.178 176.096 174.900 0.029 0.000 1.135 1182 G CA 1.023 46.140 45.100 0.028 0.000 0.767 1182 G HN 0.577 nan 8.290 nan 0.000 0.550 1183 A N 0.503 123.339 122.820 0.027 0.000 2.172 1183 A HA 0.082 4.402 4.320 0.000 0.000 0.216 1183 A C 1.988 179.586 177.584 0.024 0.000 1.154 1183 A CA 1.652 53.702 52.037 0.023 0.000 0.701 1183 A CB -0.337 18.674 19.000 0.019 0.000 0.789 1183 A HN 0.507 nan 8.150 nan 0.000 0.465 1184 E N 1.190 121.410 120.200 0.034 0.000 2.171 1184 E HA -0.297 4.053 4.350 0.000 0.000 0.197 1184 E C 1.880 178.496 176.600 0.026 0.000 0.997 1184 E CA 1.668 58.090 56.400 0.037 0.000 0.810 1184 E CB -0.202 29.540 29.700 0.069 0.000 0.738 1184 E HN 0.802 nan 8.360 nan 0.000 0.467 1185 K N -0.457 119.960 120.400 0.028 0.000 2.218 1185 K HA -0.122 4.198 4.320 0.000 0.000 0.205 1185 K C 1.241 177.848 176.600 0.012 0.000 1.046 1185 K CA 1.493 57.792 56.287 0.021 0.000 0.933 1185 K CB -0.018 32.495 32.500 0.022 0.000 0.728 1185 K HN 0.104 nan 8.250 nan 0.000 0.454 1186 A N 1.803 124.629 122.820 0.011 0.000 2.606 1186 A HA 0.136 4.456 4.320 0.000 0.000 0.290 1186 A C 1.369 178.954 177.584 0.002 0.000 1.174 1186 A CA -0.542 51.498 52.037 0.006 0.000 0.958 1186 A CB -0.016 18.989 19.000 0.008 0.000 1.194 1186 A HN 0.423 nan 8.150 nan 0.000 0.526 1187 K N 0.154 120.555 120.400 0.000 0.000 2.281 1187 K HA -0.188 4.132 4.320 0.000 0.000 0.203 1187 K C 0.864 177.458 176.600 -0.010 0.000 1.046 1187 K CA 1.870 58.155 56.287 -0.004 0.000 0.938 1187 K CB -0.096 32.398 32.500 -0.009 0.000 0.737 1187 K HN 0.317 nan 8.250 nan 0.000 0.458 1188 E N 1.501 121.695 120.200 -0.011 0.000 2.047 1188 E HA -0.138 4.212 4.350 0.000 0.000 0.191 1188 E C 1.916 178.511 176.600 -0.008 0.000 0.987 1188 E CA 1.306 57.698 56.400 -0.013 0.000 0.799 1188 E CB -0.050 29.642 29.700 -0.013 0.000 0.752 1188 E HN 0.267 nan 8.360 nan 0.000 0.449 1189 K N 0.211 120.608 120.400 -0.005 0.000 2.097 1189 K HA -0.067 4.253 4.320 0.000 0.000 0.205 1189 K C 1.657 178.255 176.600 -0.003 0.000 1.050 1189 K CA 0.721 57.007 56.287 -0.003 0.000 0.938 1189 K CB -0.201 32.299 32.500 0.000 0.000 0.718 1189 K HN -0.008 nan 8.250 nan 0.000 0.442 1190 L N 0.520 121.741 121.223 -0.003 0.000 2.056 1190 L HA 0.014 4.354 4.340 0.000 0.000 0.207 1190 L C 2.284 179.151 176.870 -0.005 0.000 1.078 1190 L CA 1.976 56.814 54.840 -0.003 0.000 0.749 1190 L CB -1.183 40.876 42.059 -0.000 0.000 0.901 1190 L HN 0.270 nan 8.230 nan 0.000 0.433 1191 A N -0.972 121.844 122.820 -0.006 0.000 1.933 1191 A HA -0.258 4.062 4.320 0.000 0.000 0.218 1191 A C 2.355 179.934 177.584 -0.008 0.000 1.175 1191 A CA 1.800 53.832 52.037 -0.008 0.000 0.628 1191 A CB -0.543 18.450 19.000 -0.011 0.000 0.814 1191 A HN 0.501 nan 8.150 nan 0.000 0.444 1192 E N -0.227 119.969 120.200 -0.008 0.000 2.077 1192 E HA -0.160 4.190 4.350 0.000 0.000 0.193 1192 E C 1.875 178.470 176.600 -0.007 0.000 0.989 1192 E CA 1.227 57.623 56.400 -0.007 0.000 0.800 1192 E CB -0.215 29.482 29.700 -0.006 0.000 0.746 1192 E HN 0.663 nan 8.360 nan 0.000 0.452 1193 I N 0.344 120.909 120.570 -0.007 0.000 2.226 1193 I HA -0.266 3.905 4.170 0.000 0.000 0.245 1193 I C 2.117 178.227 176.117 -0.011 0.000 1.100 1193 I CA 0.739 62.033 61.300 -0.009 0.000 1.374 1193 I CB -0.073 37.921 38.000 -0.009 0.000 1.057 1193 I HN 0.200 nan 8.210 nan 0.000 0.413 1194 I N -0.449 120.115 120.570 -0.009 0.000 2.406 1194 I HA -0.161 4.009 4.170 0.000 0.000 0.249 1194 I C 2.295 178.407 176.117 -0.009 0.000 1.122 1194 I CA 1.074 62.368 61.300 -0.009 0.000 1.431 1194 I CB -0.304 37.692 38.000 -0.007 0.000 1.087 1194 I HN -0.072 nan 8.210 nan 0.000 0.424 1195 V N 0.231 120.140 119.914 -0.008 0.000 2.358 1195 V HA -0.245 3.875 4.120 0.000 0.000 0.246 1195 V C 2.501 178.591 176.094 -0.007 0.000 1.047 1195 V CA 1.864 64.160 62.300 -0.007 0.000 1.035 1195 V CB -0.523 31.296 31.823 -0.006 0.000 0.658 1195 V HN 0.401 nan 8.190 nan 0.000 0.452 1196 E N 0.824 121.020 120.200 -0.007 0.000 2.072 1196 E HA -0.143 4.207 4.350 0.000 0.000 0.191 1196 E C 2.133 178.727 176.600 -0.009 0.000 0.985 1196 E CA 1.596 57.992 56.400 -0.007 0.000 0.801 1196 E CB -0.461 29.234 29.700 -0.008 0.000 0.750 1196 E HN 0.489 nan 8.360 nan 0.000 0.452 1197 A N 0.077 122.890 122.820 -0.012 0.000 1.877 1197 A HA -0.144 4.176 4.320 0.000 0.000 0.216 1197 A C 2.510 180.087 177.584 -0.013 0.000 1.186 1197 A CA 1.743 53.771 52.037 -0.016 0.000 0.620 1197 A CB -0.847 18.142 19.000 -0.019 0.000 0.822 1197 A HN 0.205 nan 8.150 nan 0.000 0.443 1198 V N -0.514 119.394 119.914 -0.010 0.000 2.307 1198 V HA -0.197 3.923 4.120 0.000 0.000 0.245 1198 V C 2.816 178.907 176.094 -0.006 0.000 1.045 1198 V CA 2.273 64.568 62.300 -0.008 0.000 1.024 1198 V CB -0.715 31.104 31.823 -0.007 0.000 0.651 1198 V HN 0.667 nan 8.190 nan 0.000 0.449 1199 S N -0.092 115.605 115.700 -0.004 0.000 2.370 1199 S HA -0.208 4.262 4.470 0.000 0.000 0.226 1199 S C 2.119 176.720 174.600 0.002 0.000 1.033 1199 S CA 1.706 59.906 58.200 -0.001 0.000 1.011 1199 S CB -0.331 62.869 63.200 -0.000 0.000 0.852 1199 S HN 0.616 nan 8.310 nan 0.000 0.457 1200 A N 0.715 123.536 122.820 0.000 0.000 1.933 1200 A HA -0.006 4.314 4.320 0.000 0.000 0.218 1200 A C 2.320 179.907 177.584 0.005 0.000 1.175 1200 A CA 1.862 53.901 52.037 0.004 0.000 0.628 1200 A CB -0.788 18.210 19.000 -0.003 0.000 0.814 1200 A HN 0.987 nan 8.150 nan 0.000 0.444 1201 V N -3.841 116.072 119.914 -0.002 0.000 3.307 1201 V HA 0.090 4.210 4.120 0.000 0.000 0.253 1201 V C 1.996 178.088 176.094 -0.003 0.000 1.149 1201 V CA 1.160 63.458 62.300 -0.004 0.000 1.112 1201 V CB -0.248 31.568 31.823 -0.011 0.000 0.777 1201 V HN 0.171 nan 8.190 nan 0.000 0.464 1202 V N 0.500 120.413 119.914 -0.003 0.000 2.453 1202 V HA -0.032 4.088 4.120 0.000 0.000 0.247 1202 V C 1.626 177.719 176.094 -0.002 0.000 1.048 1202 V CA 2.519 64.817 62.300 -0.003 0.000 1.049 1202 V CB -0.276 31.545 31.823 -0.003 0.000 0.672 1202 V HN 0.810 nan 8.190 nan 0.000 0.457 1203 D N -0.617 119.784 120.400 0.001 0.000 4.438 1203 D HA -0.218 4.422 4.640 0.000 0.000 0.158 1203 D C 0.600 176.898 176.300 -0.004 0.000 0.686 1203 D CA 1.945 55.945 54.000 0.000 0.000 1.183 1203 D CB -1.304 39.494 40.800 -0.003 0.000 0.623 1203 D HN 0.574 nan 8.370 nan 0.000 0.521 1204 D N 1.462 121.858 120.400 -0.007 0.000 2.384 1204 D HA 0.262 4.902 4.640 0.000 0.000 0.244 1204 D C -0.302 175.994 176.300 -0.006 0.000 1.251 1204 D CA 0.307 54.303 54.000 -0.008 0.000 0.961 1204 D CB 0.421 41.215 40.800 -0.010 0.000 1.116 1204 D HN 0.218 nan 8.370 nan 0.000 0.484 1205 E N -0.135 120.061 120.200 -0.006 0.000 2.267 1205 E HA 0.565 4.915 4.350 0.000 0.000 0.241 1205 E C -0.262 176.335 176.600 -0.005 0.000 0.950 1205 E CA -0.657 55.740 56.400 -0.005 0.000 0.776 1205 E CB 0.780 30.477 29.700 -0.004 0.000 1.207 1205 E HN 0.497 nan 8.360 nan 0.000 0.436 1206 G N 1.738 110.535 108.800 -0.005 0.000 2.347 1206 G HA2 0.210 4.170 3.960 0.000 0.000 0.303 1206 G HA3 0.210 4.170 3.960 0.000 0.000 0.303 1206 G C -1.781 173.117 174.900 -0.004 0.000 1.481 1206 G CA -0.815 44.282 45.100 -0.005 0.000 0.914 1206 G HN 0.063 nan 8.290 nan 0.000 0.638 1207 K N 0.315 120.712 120.400 -0.005 0.000 2.550 1207 K HA 0.543 4.863 4.320 0.000 0.000 0.252 1207 K C -1.343 175.254 176.600 -0.005 0.000 0.943 1207 K CA -0.539 55.745 56.287 -0.004 0.000 0.806 1207 K CB 2.197 34.694 32.500 -0.005 0.000 1.289 1207 K HN 0.600 nan 8.250 nan 0.000 0.435 1208 V N 3.323 123.234 119.914 -0.005 0.000 2.370 1208 V HA 0.261 4.381 4.120 0.000 0.000 0.279 1208 V C -0.310 175.780 176.094 -0.006 0.000 1.029 1208 V CA -0.689 61.608 62.300 -0.005 0.000 0.870 1208 V CB 1.371 33.191 31.823 -0.005 0.000 0.984 1208 V HN 0.624 nan 8.190 nan 0.000 0.451 1209 D N 3.811 124.206 120.400 -0.007 0.000 2.453 1209 D HA 0.305 4.945 4.640 0.000 0.000 0.238 1209 D C 0.864 177.158 176.300 -0.010 0.000 1.088 1209 D CA -0.537 53.458 54.000 -0.008 0.000 0.854 1209 D CB 1.597 42.392 40.800 -0.009 0.000 1.076 1209 D HN 0.423 nan 8.370 nan 0.000 0.533 1210 K N 1.965 122.359 120.400 -0.010 0.000 2.360 1210 K HA -0.150 4.170 4.320 0.000 0.000 0.201 1210 K C 0.906 177.497 176.600 -0.014 0.000 1.046 1210 K CA 0.809 57.089 56.287 -0.011 0.000 0.945 1210 K CB 0.242 32.736 32.500 -0.009 0.000 0.750 1210 K HN 0.344 nan 8.250 nan 0.000 0.464 1211 D N 0.783 121.175 120.400 -0.014 0.000 2.310 1211 D HA -0.081 4.559 4.640 0.000 0.000 0.212 1211 D C 1.258 177.545 176.300 -0.022 0.000 0.965 1211 D CA 0.641 54.631 54.000 -0.017 0.000 0.879 1211 D CB 0.138 40.928 40.800 -0.015 0.000 0.921 1211 D HN 0.118 nan 8.370 nan 0.000 0.510 1212 L N -0.153 121.058 121.223 -0.021 0.000 2.554 1212 L HA 0.158 4.498 4.340 0.000 0.000 0.226 1212 L C 0.346 177.199 176.870 -0.029 0.000 1.137 1212 L CA 0.203 55.028 54.840 -0.024 0.000 0.863 1212 L CB 0.077 42.125 42.059 -0.019 0.000 0.985 1212 L HN 0.022 nan 8.230 nan 0.000 0.451 1213 I N 0.650 121.204 120.570 -0.028 0.000 2.390 1213 I HA 0.172 4.342 4.170 0.000 0.000 0.283 1213 I C 0.107 176.203 176.117 -0.035 0.000 1.016 1213 I CA -0.347 60.934 61.300 -0.032 0.000 1.151 1213 I CB 1.419 39.403 38.000 -0.025 0.000 1.293 1213 I HN -0.033 nan 8.210 nan 0.000 0.458 1214 K N 6.815 127.187 120.400 -0.046 0.000 2.276 1214 K HA 0.400 4.720 4.320 0.000 0.000 0.283 1214 K C -0.647 175.924 176.600 -0.049 0.000 1.044 1214 K CA -0.516 55.741 56.287 -0.049 0.000 0.944 1214 K CB 0.876 33.338 32.500 -0.064 0.000 1.012 1214 K HN 0.456 nan 8.250 nan 0.000 0.472 1215 I N 4.324 124.870 120.570 -0.039 0.000 2.307 1215 I HA 0.155 4.325 4.170 0.000 0.000 0.287 1215 I C -0.139 175.958 176.117 -0.033 0.000 1.054 1215 I CA -0.551 60.729 61.300 -0.033 0.000 1.218 1215 I CB 0.685 38.671 38.000 -0.024 0.000 1.398 1215 I HN 0.674 nan 8.210 nan 0.000 0.475 1216 E N 7.302 127.478 120.200 -0.040 0.000 2.216 1216 E HA 0.473 4.823 4.350 0.000 0.000 0.279 1216 E C -0.733 175.857 176.600 -0.016 0.000 0.997 1216 E CA -0.589 55.793 56.400 -0.030 0.000 0.817 1216 E CB 1.045 30.718 29.700 -0.046 0.000 1.096 1216 E HN 0.542 nan 8.360 nan 0.000 0.393 1217 K N 2.884 123.280 120.400 -0.007 0.000 2.541 1217 K HA 0.562 4.882 4.320 0.000 0.000 0.250 1217 K C -1.029 175.574 176.600 0.005 0.000 0.950 1217 K CA -1.086 55.199 56.287 -0.002 0.000 0.805 1217 K CB 1.510 34.004 32.500 -0.010 0.000 1.166 1217 K HN 0.092 nan 8.250 nan 0.000 0.430 1218 K N 2.042 122.451 120.400 0.015 0.000 2.578 1218 K HA 0.197 4.517 4.320 0.000 0.000 0.250 1218 K C -0.895 175.717 176.600 0.019 0.000 0.955 1218 K CA -0.652 55.648 56.287 0.022 0.000 0.825 1218 K CB 2.045 34.570 32.500 0.042 0.000 1.151 1218 K HN 0.776 nan 8.250 nan 0.000 0.432 1219 S N 1.278 116.985 115.700 0.012 0.000 2.568 1219 S HA 0.504 4.974 4.470 0.000 0.000 0.282 1219 S C 0.357 174.968 174.600 0.019 0.000 1.338 1219 S CA 1.268 59.476 58.200 0.014 0.000 1.045 1219 S CB 0.153 63.360 63.200 0.011 0.000 0.873 1219 S HN 0.873 nan 8.310 nan 0.000 0.516 1220 G N 1.672 110.484 108.800 0.020 0.000 2.465 1220 G HA2 0.509 4.469 3.960 0.000 0.000 0.681 1220 G HA3 0.509 4.469 3.960 0.000 0.000 0.681 1220 G C -0.085 174.828 174.900 0.021 0.000 1.340 1220 G CA -0.050 45.062 45.100 0.020 0.000 0.884 1220 G HN 2.157 nan 8.290 nan 0.000 0.650 1221 A N -0.571 122.260 122.820 0.019 0.000 6.088 1221 A HA 0.393 4.713 4.320 0.000 0.000 0.261 1221 A C 1.120 178.715 177.584 0.018 0.000 2.138 1221 A CA 1.933 53.980 52.037 0.018 0.000 0.708 1221 A CB -1.621 17.392 19.000 0.022 0.000 1.068 1221 A HN 2.723 nan 8.150 nan 0.000 0.364 1222 S N -2.789 112.922 115.700 0.018 0.000 2.811 1222 S HA 0.703 5.173 4.470 0.000 0.000 0.311 1222 S C 1.121 175.732 174.600 0.018 0.000 1.152 1222 S CA 0.148 58.358 58.200 0.017 0.000 0.864 1222 S CB 1.307 64.516 63.200 0.015 0.000 1.226 1222 S HN 1.564 nan 8.310 nan 0.000 0.541 1223 I N 1.304 121.884 120.570 0.016 0.000 2.614 1223 I HA -0.093 4.077 4.170 0.000 0.000 0.258 1223 I C 0.875 177.000 176.117 0.014 0.000 1.189 1223 I CA 1.274 62.583 61.300 0.015 0.000 1.462 1223 I CB -0.086 37.923 38.000 0.015 0.000 1.092 1223 I HN 0.584 nan 8.210 nan 0.000 0.442 1224 D N 1.026 121.434 120.400 0.013 0.000 2.178 1224 D HA -0.181 4.459 4.640 0.000 0.000 0.201 1224 D C 1.437 177.745 176.300 0.014 0.000 0.980 1224 D CA 1.304 55.311 54.000 0.012 0.000 0.842 1224 D CB -0.248 40.559 40.800 0.011 0.000 0.948 1224 D HN 0.480 nan 8.370 nan 0.000 0.472 1225 D N -0.523 119.888 120.400 0.017 0.000 2.347 1225 D HA -0.022 4.618 4.640 0.000 0.000 0.215 1225 D C 0.265 176.580 176.300 0.025 0.000 0.976 1225 D CA 0.453 54.467 54.000 0.022 0.000 0.884 1225 D CB -0.003 40.812 40.800 0.025 0.000 0.915 1225 D HN -0.026 nan 8.370 nan 0.000 0.526 1226 T N 1.097 115.662 114.554 0.019 0.000 2.933 1226 T HA 0.170 4.520 4.350 0.000 0.000 0.306 1226 T C 0.122 174.829 174.700 0.012 0.000 1.045 1226 T CA 0.524 62.633 62.100 0.015 0.000 1.143 1226 T CB 0.654 69.528 68.868 0.010 0.000 1.003 1226 T HN 0.038 nan 8.240 nan 0.000 0.540 1227 E N 1.793 121.999 120.200 0.009 0.000 2.390 1227 E HA 0.521 4.871 4.350 0.000 0.000 0.280 1227 E C -1.949 174.643 176.600 -0.013 0.000 0.992 1227 E CA -0.800 55.602 56.400 0.004 0.000 0.790 1227 E CB 1.039 30.750 29.700 0.019 0.000 1.248 1227 E HN 0.349 nan 8.360 nan 0.000 0.447 1228 L N 3.622 124.834 121.223 -0.017 0.000 2.292 1228 L HA 0.600 4.940 4.340 0.000 0.000 0.284 1228 L C -1.141 175.705 176.870 -0.040 0.000 1.065 1228 L CA -0.218 54.602 54.840 -0.033 0.000 0.806 1228 L CB 0.834 42.877 42.059 -0.026 0.000 1.175 1228 L HN 0.577 nan 8.230 nan 0.000 0.431 1229 I N 5.553 126.080 120.570 -0.071 0.000 2.382 1229 I HA 0.304 4.474 4.170 0.000 0.000 0.285 1229 I C -0.135 175.935 176.117 -0.078 0.000 1.007 1229 I CA -0.492 60.758 61.300 -0.083 0.000 1.142 1229 I CB 1.186 39.085 38.000 -0.168 0.000 1.289 1229 I HN 0.315 nan 8.210 nan 0.000 0.453 1230 K N 5.804 126.174 120.400 -0.049 0.000 2.081 1230 K HA 0.516 4.836 4.320 0.000 0.000 0.230 1230 K C 0.458 177.030 176.600 -0.048 0.000 1.199 1230 K CA -0.049 56.212 56.287 -0.044 0.000 1.130 1230 K CB -0.209 32.272 32.500 -0.032 0.000 1.386 1230 K HN 0.968 nan 8.250 nan 0.000 0.280 1231 G N -0.694 108.065 108.800 -0.068 0.000 2.455 1231 G HA2 0.122 4.082 3.960 0.000 0.000 0.223 1231 G HA3 0.122 4.082 3.960 0.000 0.000 0.223 1231 G C -1.637 173.197 174.900 -0.110 0.000 1.226 1231 G CA -0.720 44.337 45.100 -0.072 0.000 0.948 1231 G HN 0.086 nan 8.290 nan 0.000 0.478 1232 V N 0.446 120.285 119.914 -0.125 0.000 2.588 1232 V HA 0.636 4.756 4.120 0.000 0.000 0.304 1232 V C -0.806 175.174 176.094 -0.189 0.000 1.042 1232 V CA -0.626 61.581 62.300 -0.154 0.000 0.877 1232 V CB 1.560 33.291 31.823 -0.153 0.000 0.996 1232 V HN 0.608 nan 8.190 nan 0.000 0.425 1233 L N 5.212 126.290 121.223 -0.242 0.000 2.255 1233 L HA 0.490 4.830 4.340 0.000 0.000 0.289 1233 L C -0.090 176.734 176.870 -0.077 0.000 1.046 1233 L CA 0.166 54.840 54.840 -0.277 0.000 0.816 1233 L CB 1.472 43.243 42.059 -0.480 0.000 1.197 1233 L HN 0.438 nan 8.230 nan 0.000 0.427 1234 V N 2.684 122.621 119.914 0.038 0.000 2.394 1234 V HA 0.237 4.357 4.120 0.000 0.000 0.282 1234 V C 0.119 176.293 176.094 0.133 0.000 1.031 1234 V CA -0.784 61.556 62.300 0.066 0.000 0.881 1234 V CB 1.570 33.449 31.823 0.095 0.000 0.982 1234 V HN 0.781 nan 8.190 nan 0.000 0.451 1235 D N 3.772 124.227 120.400 0.091 0.000 3.085 1235 D HA 0.176 4.816 4.640 0.000 0.000 0.243 1235 D C 0.117 176.471 176.300 0.090 0.000 1.232 1235 D CA -0.256 53.799 54.000 0.092 0.000 0.913 1235 D CB 0.137 40.973 40.800 0.060 0.000 1.108 1235 D HN 0.268 nan 8.370 nan 0.000 0.468 1236 K N 0.458 120.928 120.400 0.117 0.000 2.409 1236 K HA 0.421 4.741 4.320 0.000 0.000 0.252 1236 K C 0.352 177.008 176.600 0.093 0.000 1.036 1236 K CA -0.651 55.700 56.287 0.107 0.000 0.871 1236 K CB 2.264 34.851 32.500 0.146 0.000 1.374 1236 K HN 0.308 nan 8.250 nan 0.000 0.459 1237 E N 0.733 120.970 120.200 0.062 0.000 2.378 1237 E HA 0.394 4.744 4.350 0.000 0.000 0.265 1237 E C -0.684 175.925 176.600 0.014 0.000 0.932 1237 E CA -0.906 55.515 56.400 0.035 0.000 0.795 1237 E CB 1.245 30.957 29.700 0.021 0.000 1.296 1237 E HN 0.218 nan 8.360 nan 0.000 0.438 1238 R N 1.245 121.744 120.500 -0.002 0.000 2.296 1238 R HA 0.107 4.447 4.340 0.000 0.000 0.323 1238 R C 1.363 177.654 176.300 -0.015 0.000 1.067 1238 R CA 0.224 56.311 56.100 -0.022 0.000 0.946 1238 R CB 0.460 30.746 30.300 -0.023 0.000 0.991 1238 R HN 0.559 nan 8.270 nan 0.000 0.448 1239 V N -0.042 119.859 119.914 -0.022 0.000 2.720 1239 V HA -0.075 4.045 4.120 0.000 0.000 0.256 1239 V C 0.905 177.000 176.094 0.002 0.000 1.082 1239 V CA 1.081 63.374 62.300 -0.011 0.000 1.101 1239 V CB -0.224 31.587 31.823 -0.019 0.000 0.693 1239 V HN 0.524 nan 8.190 nan 0.000 0.479 1240 S N -1.005 114.696 115.700 0.001 0.000 2.526 1240 S HA 0.774 5.244 4.470 0.000 0.000 0.293 1240 S C 0.844 175.444 174.600 -0.000 0.000 1.092 1240 S CA -0.121 58.087 58.200 0.013 0.000 0.980 1240 S CB 1.874 65.089 63.200 0.026 0.000 1.048 1240 S HN 0.711 nan 8.310 nan 0.000 0.483 1241 A N 3.262 126.081 122.820 -0.001 0.000 2.070 1241 A HA -0.042 4.278 4.320 0.000 0.000 0.220 1241 A C 1.776 179.353 177.584 -0.013 0.000 1.159 1241 A CA 1.258 53.290 52.037 -0.009 0.000 0.656 1241 A CB -0.477 18.516 19.000 -0.012 0.000 0.800 1241 A HN 0.899 nan 8.150 nan 0.000 0.453 1242 Q N -1.030 118.763 119.800 -0.012 0.000 2.424 1242 Q HA 0.196 4.536 4.340 0.000 0.000 0.204 1242 Q C 0.212 176.206 176.000 -0.010 0.000 0.933 1242 Q CA -0.020 55.774 55.803 -0.014 0.000 0.929 1242 Q CB 0.028 28.755 28.738 -0.018 0.000 1.037 1242 Q HN 0.657 nan 8.270 nan 0.000 0.511 1243 M N 1.514 121.108 119.600 -0.010 0.000 2.250 1243 M HA 0.223 4.703 4.480 0.000 0.000 0.344 1243 M C -2.138 174.153 176.300 -0.014 0.000 1.150 1243 M CA -2.024 53.269 55.300 -0.013 0.000 1.147 1243 M CB 0.390 32.978 32.600 -0.020 0.000 1.498 1243 M HN -0.192 nan 8.290 nan 0.000 0.461 1244 P HA -0.020 nan 4.420 nan 0.000 0.269 1244 P C -0.157 177.135 177.300 -0.014 0.000 1.211 1244 P CA 0.054 63.147 63.100 -0.012 0.000 0.781 1244 P CB 0.489 32.184 31.700 -0.009 0.000 0.877 1245 K N 1.033 121.425 120.400 -0.013 0.000 2.379 1245 K HA 0.056 4.376 4.320 0.000 0.000 0.194 1245 K C 0.486 177.079 176.600 -0.012 0.000 1.031 1245 K CA 0.809 57.087 56.287 -0.016 0.000 1.037 1245 K CB 0.142 32.630 32.500 -0.019 0.000 0.824 1245 K HN 0.577 nan 8.250 nan 0.000 0.516 1246 K N -0.780 119.617 120.400 -0.005 0.000 2.557 1246 K HA 0.381 4.701 4.320 0.000 0.000 0.257 1246 K C -1.260 175.345 176.600 0.008 0.000 0.933 1246 K CA -0.733 55.557 56.287 0.005 0.000 0.820 1246 K CB 1.984 34.486 32.500 0.002 0.000 1.330 1246 K HN -0.285 nan 8.250 nan 0.000 0.432 1247 V N 2.045 121.970 119.914 0.019 0.000 2.483 1247 V HA 0.429 4.549 4.120 0.000 0.000 0.297 1247 V C -0.283 175.828 176.094 0.027 0.000 1.027 1247 V CA -0.527 61.784 62.300 0.019 0.000 0.855 1247 V CB 1.837 33.670 31.823 0.017 0.000 0.995 1247 V HN 0.998 nan 8.190 nan 0.000 0.424 1248 T N 0.078 114.645 114.554 0.021 0.000 2.929 1248 T HA 0.541 4.891 4.350 0.000 0.000 0.284 1248 T C 0.124 174.837 174.700 0.021 0.000 1.014 1248 T CA -0.276 61.837 62.100 0.022 0.000 1.051 1248 T CB 1.296 70.174 68.868 0.016 0.000 1.028 1248 T HN 0.769 nan 8.240 nan 0.000 0.485 1249 D N 0.340 120.753 120.400 0.022 0.000 2.689 1249 D HA -0.153 4.487 4.640 0.000 0.000 0.237 1249 D C 0.301 176.617 176.300 0.026 0.000 1.148 1249 D CA 0.840 54.852 54.000 0.020 0.000 0.656 1249 D CB -1.252 39.557 40.800 0.015 0.000 1.050 1249 D HN 1.103 nan 8.370 nan 0.000 0.426 1250 A N 1.410 124.251 122.820 0.035 0.000 2.477 1250 A HA 0.375 4.696 4.320 0.000 0.000 0.246 1250 A C 0.542 178.154 177.584 0.046 0.000 1.078 1250 A CA 0.147 52.210 52.037 0.044 0.000 0.770 1250 A CB 0.593 19.632 19.000 0.064 0.000 1.011 1250 A HN 0.156 nan 8.150 nan 0.000 0.494 1251 K N 3.185 123.611 120.400 0.043 0.000 2.347 1251 K HA 0.399 4.719 4.320 0.000 0.000 0.262 1251 K C -0.938 175.697 176.600 0.058 0.000 1.052 1251 K CA 0.157 56.471 56.287 0.044 0.000 0.946 1251 K CB 0.925 33.444 32.500 0.031 0.000 1.220 1251 K HN 0.638 nan 8.250 nan 0.000 0.450 1252 I N 2.033 122.653 120.570 0.083 0.000 2.353 1252 I HA 0.286 4.456 4.170 0.000 0.000 0.293 1252 I C 0.275 176.460 176.117 0.114 0.000 0.992 1252 I CA -0.655 60.724 61.300 0.133 0.000 1.268 1252 I CB 1.586 39.706 38.000 0.199 0.000 1.387 1252 I HN 0.433 nan 8.210 nan 0.000 0.478 1253 A N 7.675 130.566 122.820 0.119 0.000 2.337 1253 A HA 0.840 5.160 4.320 0.000 0.000 0.329 1253 A C -0.778 176.892 177.584 0.143 0.000 1.146 1253 A CA -0.545 51.550 52.037 0.097 0.000 0.800 1253 A CB 0.933 19.968 19.000 0.057 0.000 1.220 1253 A HN 0.703 nan 8.150 nan 0.000 0.472 1254 L N 3.154 124.441 121.223 0.107 0.000 2.345 1254 L HA 0.419 4.759 4.340 0.000 0.000 0.274 1254 L C -0.980 175.933 176.870 0.072 0.000 0.999 1254 L CA -0.090 54.815 54.840 0.108 0.000 0.849 1254 L CB 1.027 43.131 42.059 0.075 0.000 1.220 1254 L HN 0.564 nan 8.230 nan 0.000 0.422 1255 L N 3.352 124.620 121.223 0.075 0.000 2.307 1255 L HA 0.381 4.721 4.340 0.000 0.000 0.284 1255 L C 0.721 177.621 176.870 0.049 0.000 1.023 1255 L CA -0.502 54.368 54.840 0.051 0.000 0.810 1255 L CB 1.759 43.844 42.059 0.043 0.000 1.231 1255 L HN 0.623 nan 8.230 nan 0.000 0.423 1256 N N 0.748 119.469 118.700 0.035 0.000 2.322 1256 N HA -0.021 4.719 4.740 0.000 0.000 0.181 1256 N C 0.445 175.970 175.510 0.025 0.000 1.088 1256 N CA -0.277 52.791 53.050 0.030 0.000 0.885 1256 N CB -0.304 38.196 38.487 0.023 0.000 1.013 1256 N HN 0.586 nan 8.380 nan 0.000 0.472 1257 C N 0.245 119.558 119.300 0.022 0.000 2.595 1257 C HA 0.849 5.309 4.460 0.000 0.000 0.384 1257 C C 0.949 175.950 174.990 0.019 0.000 1.289 1257 C CA -1.450 57.579 59.018 0.018 0.000 2.372 1257 C CB -0.180 27.570 27.740 0.015 0.000 2.593 1257 C HN 0.479 nan 8.230 nan 0.000 0.639 1258 A N 2.433 125.262 122.820 0.015 0.000 2.401 1258 A HA 0.596 4.916 4.320 0.000 0.000 0.259 1258 A C 0.040 177.631 177.584 0.012 0.000 1.103 1258 A CA -0.516 51.529 52.037 0.014 0.000 0.789 1258 A CB -0.162 18.845 19.000 0.011 0.000 1.035 1258 A HN 0.879 nan 8.150 nan 0.000 0.491 1259 I N 2.835 123.412 120.570 0.011 0.000 2.317 1259 I HA 0.266 4.436 4.170 0.000 0.000 0.286 1259 I C -0.284 175.838 176.117 0.009 0.000 1.119 1259 I CA -0.061 61.245 61.300 0.011 0.000 1.228 1259 I CB -0.211 37.796 38.000 0.011 0.000 1.476 1259 I HN 0.828 nan 8.210 nan 0.000 0.514 1260 E N 3.908 124.115 120.200 0.010 0.000 2.445 1260 E HA 0.544 4.894 4.350 0.000 0.000 0.273 1260 E C -0.693 175.917 176.600 0.016 0.000 0.961 1260 E CA -1.045 55.361 56.400 0.010 0.000 0.807 1260 E CB 1.127 30.829 29.700 0.004 0.000 1.362 1260 E HN 0.095 nan 8.360 nan 0.000 0.453 1261 I N 1.466 122.048 120.570 0.020 0.000 2.705 1261 I HA 0.071 4.241 4.170 0.000 0.000 0.291 1261 I C 0.209 176.338 176.117 0.019 0.000 1.146 1261 I CA 0.114 61.429 61.300 0.025 0.000 1.383 1261 I CB -0.732 37.288 38.000 0.032 0.000 1.454 1261 I HN 0.375 nan 8.210 nan 0.000 0.581 1262 K N 7.158 127.568 120.400 0.017 0.000 2.412 1262 K HA 0.143 4.463 4.320 0.000 0.000 0.281 1262 K C -0.034 176.576 176.600 0.017 0.000 1.027 1262 K CA 0.049 56.345 56.287 0.014 0.000 0.989 1262 K CB 0.407 32.914 32.500 0.012 0.000 0.935 1262 K HN 0.688 nan 8.250 nan 0.000 0.475 1263 E N 1.644 121.852 120.200 0.013 0.000 2.227 1263 E HA 0.251 4.601 4.350 0.000 0.000 0.268 1263 E C -0.746 175.861 176.600 0.010 0.000 0.907 1263 E CA -1.110 55.298 56.400 0.013 0.000 0.786 1263 E CB 1.371 31.076 29.700 0.008 0.000 1.191 1263 E HN 0.487 nan 8.360 nan 0.000 0.411 1264 T N 1.062 115.622 114.554 0.011 0.000 2.906 1264 T HA -0.038 4.312 4.350 0.000 0.000 0.320 1264 T C 0.729 175.433 174.700 0.006 0.000 1.088 1264 T CA 0.146 62.252 62.100 0.009 0.000 1.120 1264 T CB 0.512 69.387 68.868 0.011 0.000 1.000 1264 T HN 0.590 nan 8.240 nan 0.000 0.550 1265 E N 1.374 121.577 120.200 0.006 0.000 2.153 1265 E HA 0.020 4.370 4.350 0.000 0.000 0.194 1265 E C 1.270 177.872 176.600 0.003 0.000 0.988 1265 E CA 1.275 57.677 56.400 0.004 0.000 0.811 1265 E CB -0.333 29.370 29.700 0.004 0.000 0.746 1265 E HN 0.868 nan 8.360 nan 0.000 0.466 1266 T N -0.709 113.847 114.554 0.003 0.000 2.868 1266 T HA 0.095 4.445 4.350 0.000 0.000 0.292 1266 T C 0.207 174.907 174.700 0.000 0.000 1.028 1266 T CA -0.915 61.187 62.100 0.002 0.000 1.059 1266 T CB 1.072 69.942 68.868 0.004 0.000 0.991 1266 T HN -0.174 nan 8.240 nan 0.000 0.531 1267 D N 1.069 121.468 120.400 -0.001 0.000 2.382 1267 D HA 0.431 5.071 4.640 0.000 0.000 0.259 1267 D C -0.345 175.952 176.300 -0.005 0.000 1.224 1267 D CA 0.175 54.173 54.000 -0.004 0.000 0.894 1267 D CB -0.152 40.645 40.800 -0.005 0.000 1.127 1267 D HN 0.938 nan 8.370 nan 0.000 0.487 1268 A N 3.705 126.520 122.820 -0.009 0.000 2.587 1268 A HA 0.724 5.044 4.320 0.000 0.000 0.293 1268 A C -1.061 176.508 177.584 -0.026 0.000 1.087 1268 A CA -0.803 51.227 52.037 -0.012 0.000 0.692 1268 A CB 1.498 20.495 19.000 -0.003 0.000 1.291 1268 A HN 0.614 nan 8.150 nan 0.000 0.407 1269 E N 0.491 120.667 120.200 -0.040 0.000 2.392 1269 E HA 0.593 4.943 4.350 0.000 0.000 0.279 1269 E C -1.597 174.932 176.600 -0.118 0.000 0.964 1269 E CA -0.913 55.444 56.400 -0.072 0.000 0.777 1269 E CB 1.087 30.748 29.700 -0.065 0.000 1.249 1269 E HN 0.317 nan 8.360 nan 0.000 0.449 1270 I N 1.797 122.242 120.570 -0.207 0.000 2.556 1270 I HA 0.101 4.271 4.170 0.000 0.000 0.284 1270 I C 0.174 176.088 176.117 -0.339 0.000 1.114 1270 I CA 0.001 61.047 61.300 -0.425 0.000 1.418 1270 I CB 0.289 37.859 38.000 -0.717 0.000 1.394 1270 I HN 0.343 nan 8.210 nan 0.000 0.552 1271 R N 7.057 127.388 120.500 -0.282 0.000 2.332 1271 R HA 0.381 4.721 4.340 0.000 0.000 0.306 1271 R C -0.674 175.592 176.300 -0.056 0.000 1.117 1271 R CA -0.861 55.168 56.100 -0.117 0.000 1.108 1271 R CB 0.382 30.666 30.300 -0.027 0.000 1.126 1271 R HN 0.418 nan 8.270 nan 0.000 0.548 1272 I N 2.689 123.211 120.570 -0.079 0.000 2.648 1272 I HA -0.049 4.121 4.170 0.000 0.000 0.284 1272 I C 1.707 177.867 176.117 0.071 0.000 1.153 1272 I CA 0.789 62.112 61.300 0.038 0.000 1.426 1272 I CB 0.641 38.646 38.000 0.008 0.000 1.381 1272 I HN 0.536 nan 8.210 nan 0.000 0.571 1273 T N -0.126 114.498 114.554 0.116 0.000 2.975 1273 T HA 0.218 4.568 4.350 0.000 0.000 0.261 1273 T C 0.240 174.977 174.700 0.062 0.000 0.984 1273 T CA -0.232 61.915 62.100 0.078 0.000 0.911 1273 T CB 0.747 69.664 68.868 0.081 0.000 1.127 1273 T HN 0.616 nan 8.240 nan 0.000 0.514 1274 D N 0.464 120.908 120.400 0.074 0.000 2.769 1274 D HA 0.275 4.915 4.640 0.000 0.000 0.219 1274 D C -2.559 173.777 176.300 0.059 0.000 1.245 1274 D CA -1.479 52.553 54.000 0.053 0.000 0.801 1274 D CB 2.540 43.365 40.800 0.041 0.000 1.598 1274 D HN -0.325 nan 8.370 nan 0.000 0.485 1275 P HA -0.135 nan 4.420 nan 0.000 0.218 1275 P C 0.950 178.275 177.300 0.043 0.000 1.146 1275 P CA 1.610 64.734 63.100 0.040 0.000 0.820 1275 P CB 0.303 32.019 31.700 0.027 0.000 0.778 1276 A N -0.624 122.218 122.820 0.037 0.000 1.873 1276 A HA -0.181 4.139 4.320 0.000 0.000 0.215 1276 A C 2.128 179.736 177.584 0.039 0.000 1.186 1276 A CA 1.724 53.778 52.037 0.029 0.000 0.616 1276 A CB -0.938 18.071 19.000 0.014 0.000 0.823 1276 A HN 0.027 nan 8.150 nan 0.000 0.442 1277 K N -0.524 119.912 120.400 0.059 0.000 2.152 1277 K HA -0.078 4.243 4.320 0.000 0.000 0.206 1277 K C 1.700 178.448 176.600 0.247 0.000 1.048 1277 K CA 0.961 57.306 56.287 0.097 0.000 0.933 1277 K CB -0.520 32.074 32.500 0.156 0.000 0.721 1277 K HN 0.398 nan 8.250 nan 0.000 0.447 1278 L N 0.165 121.505 121.223 0.195 0.000 2.043 1278 L HA -0.199 4.141 4.340 0.000 0.000 0.212 1278 L C 1.749 178.717 176.870 0.164 0.000 1.075 1278 L CA 1.823 56.771 54.840 0.179 0.000 0.752 1278 L CB -0.263 41.851 42.059 0.092 0.000 0.891 1278 L HN 0.215 nan 8.230 nan 0.000 0.432 1279 M N -1.289 118.376 119.600 0.108 0.000 2.236 1279 M HA -0.110 4.370 4.480 0.000 0.000 0.266 1279 M C 2.210 178.547 176.300 0.061 0.000 1.070 1279 M CA 1.275 56.620 55.300 0.074 0.000 1.137 1279 M CB -1.089 31.537 32.600 0.044 0.000 1.378 1279 M HN 0.395 nan 8.290 nan 0.000 0.426 1280 E N 0.069 120.285 120.200 0.026 0.000 2.085 1280 E HA -0.189 4.161 4.350 0.000 0.000 0.194 1280 E C 1.899 178.446 176.600 -0.090 0.000 0.994 1280 E CA 1.281 57.640 56.400 -0.068 0.000 0.801 1280 E CB -0.039 29.562 29.700 -0.164 0.000 0.743 1280 E HN 0.384 nan 8.360 nan 0.000 0.453 1281 F N 0.495 120.451 119.950 0.010 0.000 2.134 1281 F HA -0.140 4.387 4.527 0.000 0.000 0.299 1281 F C 2.212 178.021 175.800 0.014 0.000 1.097 1281 F CA 0.934 58.940 58.000 0.010 0.000 1.264 1281 F CB -0.067 38.938 39.000 0.009 0.000 1.001 1281 F HN 0.055 nan 8.300 nan 0.000 0.479 1282 I N -0.321 120.372 120.570 0.205 0.000 2.226 1282 I HA -0.231 3.939 4.170 0.000 0.000 0.245 1282 I C 2.253 178.426 176.117 0.093 0.000 1.100 1282 I CA 1.139 62.515 61.300 0.127 0.000 1.374 1282 I CB -0.371 37.687 38.000 0.096 0.000 1.057 1282 I HN 0.095 nan 8.210 nan 0.000 0.413 1283 E N 0.279 120.520 120.200 0.069 0.000 2.150 1283 E HA -0.257 4.093 4.350 0.000 0.000 0.193 1283 E C 2.018 178.636 176.600 0.030 0.000 0.985 1283 E CA 0.973 57.401 56.400 0.045 0.000 0.814 1283 E CB -0.201 29.513 29.700 0.023 0.000 0.752 1283 E HN 0.433 nan 8.360 nan 0.000 0.466 1284 Q N 1.202 121.012 119.800 0.017 0.000 2.084 1284 Q HA -0.153 4.187 4.340 0.000 0.000 0.202 1284 Q C 1.827 177.844 176.000 0.029 0.000 0.978 1284 Q CA 1.358 57.160 55.803 -0.002 0.000 0.844 1284 Q CB 0.039 28.753 28.738 -0.041 0.000 0.898 1284 Q HN 0.095 nan 8.270 nan 0.000 0.426 1285 E N 0.219 120.459 120.200 0.067 0.000 2.150 1285 E HA -0.149 4.201 4.350 0.000 0.000 0.193 1285 E C 1.823 178.462 176.600 0.065 0.000 0.985 1285 E CA 0.885 57.327 56.400 0.070 0.000 0.814 1285 E CB 0.000 29.754 29.700 0.089 0.000 0.752 1285 E HN 0.487 nan 8.360 nan 0.000 0.466 1286 E N 0.924 121.173 120.200 0.082 0.000 2.072 1286 E HA -0.162 4.188 4.350 0.000 0.000 0.191 1286 E C 2.024 178.635 176.600 0.018 0.000 0.985 1286 E CA 0.737 57.212 56.400 0.125 0.000 0.801 1286 E CB -0.147 29.645 29.700 0.154 0.000 0.750 1286 E HN 0.222 nan 8.360 nan 0.000 0.452 1287 K N 0.508 120.900 120.400 -0.014 0.000 2.057 1287 K HA -0.092 4.228 4.320 0.000 0.000 0.207 1287 K C 2.282 178.821 176.600 -0.102 0.000 1.049 1287 K CA 1.075 57.318 56.287 -0.072 0.000 0.931 1287 K CB -0.044 32.431 32.500 -0.042 0.000 0.714 1287 K HN 0.014 nan 8.250 nan 0.000 0.440 1288 M N 0.428 119.995 119.600 -0.055 0.000 2.065 1288 M HA -0.212 4.268 4.480 0.000 0.000 0.259 1288 M C 2.214 178.467 176.300 -0.079 0.000 1.069 1288 M CA 1.389 56.660 55.300 -0.047 0.000 1.110 1288 M CB -0.301 32.294 32.600 -0.009 0.000 1.328 1288 M HN 0.191 nan 8.290 nan 0.000 0.405 1289 L N 0.224 121.398 121.223 -0.082 0.000 2.109 1289 L HA -0.095 4.245 4.340 0.000 0.000 0.207 1289 L C 2.278 178.971 176.870 -0.296 0.000 1.086 1289 L CA 1.783 56.572 54.840 -0.085 0.000 0.760 1289 L CB -0.619 41.475 42.059 0.058 0.000 0.910 1289 L HN 0.173 nan 8.230 nan 0.000 0.437 1290 K N -0.665 119.352 120.400 -0.638 0.000 2.063 1290 K HA -0.204 4.116 4.320 0.000 0.000 0.208 1290 K C 1.590 177.958 176.600 -0.386 0.000 1.048 1290 K CA 1.820 57.546 56.287 -0.934 0.000 0.928 1290 K CB -0.060 31.909 32.500 -0.886 0.000 0.713 1290 K HN 0.336 nan 8.250 nan 0.000 0.442 1291 D N 0.366 120.624 120.400 -0.237 0.000 2.144 1291 D HA -0.128 4.512 4.640 0.000 0.000 0.200 1291 D C 1.906 178.149 176.300 -0.096 0.000 0.978 1291 D CA 1.110 55.031 54.000 -0.132 0.000 0.833 1291 D CB -0.048 40.697 40.800 -0.092 0.000 0.961 1291 D HN 0.295 nan 8.370 nan 0.000 0.470 1292 M N 0.032 119.576 119.600 -0.093 0.000 2.080 1292 M HA -0.155 4.325 4.480 0.000 0.000 0.260 1292 M C 2.275 178.550 176.300 -0.040 0.000 1.068 1292 M CA 1.079 56.348 55.300 -0.053 0.000 1.109 1292 M CB -0.212 32.365 32.600 -0.038 0.000 1.342 1292 M HN -0.103 nan 8.290 nan 0.000 0.405 1293 V N 0.193 120.074 119.914 -0.054 0.000 2.427 1293 V HA -0.200 3.920 4.120 0.000 0.000 0.248 1293 V C 2.590 178.671 176.094 -0.022 0.000 1.051 1293 V CA 1.803 64.092 62.300 -0.019 0.000 1.048 1293 V CB -1.117 30.717 31.823 0.018 0.000 0.666 1293 V HN 0.521 nan 8.190 nan 0.000 0.456 1294 A N -0.428 122.361 122.820 -0.051 0.000 1.978 1294 A HA -0.199 4.121 4.320 0.000 0.000 0.220 1294 A C 2.189 179.758 177.584 -0.024 0.000 1.170 1294 A CA 1.615 53.630 52.037 -0.037 0.000 0.636 1294 A CB -0.317 18.649 19.000 -0.056 0.000 0.810 1294 A HN 0.536 nan 8.150 nan 0.000 0.448 1295 E N -0.119 120.066 120.200 -0.025 0.000 2.107 1295 E HA -0.074 4.276 4.350 0.000 0.000 0.191 1295 E C 1.979 178.575 176.600 -0.007 0.000 0.982 1295 E CA 0.835 57.226 56.400 -0.015 0.000 0.809 1295 E CB -0.359 29.331 29.700 -0.016 0.000 0.756 1295 E HN 0.741 nan 8.360 nan 0.000 0.459 1296 I N 1.349 121.916 120.570 -0.005 0.000 2.226 1296 I HA -0.247 3.923 4.170 0.000 0.000 0.245 1296 I C 2.635 178.755 176.117 0.004 0.000 1.100 1296 I CA 1.039 62.341 61.300 0.002 0.000 1.374 1296 I CB -0.256 37.746 38.000 0.004 0.000 1.057 1296 I HN -0.019 nan 8.210 nan 0.000 0.413 1297 K N 1.663 122.064 120.400 0.002 0.000 2.057 1297 K HA -0.141 4.179 4.320 0.000 0.000 0.207 1297 K C 2.126 178.728 176.600 0.003 0.000 1.049 1297 K CA 1.758 58.048 56.287 0.004 0.000 0.931 1297 K CB -0.241 32.262 32.500 0.005 0.000 0.714 1297 K HN 0.296 nan 8.250 nan 0.000 0.440 1298 A N 0.626 123.446 122.820 -0.000 0.000 2.024 1298 A HA -0.107 4.213 4.320 0.000 0.000 0.220 1298 A C 2.202 179.787 177.584 0.003 0.000 1.164 1298 A CA 1.964 54.000 52.037 -0.000 0.000 0.643 1298 A CB -0.468 18.529 19.000 -0.004 0.000 0.806 1298 A HN 0.380 nan 8.150 nan 0.000 0.451 1299 S N -1.722 113.981 115.700 0.005 0.000 2.419 1299 S HA 0.205 4.675 4.470 0.000 0.000 0.233 1299 S C 1.648 176.254 174.600 0.011 0.000 1.016 1299 S CA 1.303 59.508 58.200 0.008 0.000 0.974 1299 S CB -0.199 63.007 63.200 0.010 0.000 0.786 1299 S HN 1.674 nan 8.310 nan 0.000 0.492 1300 G N 0.668 109.474 108.800 0.010 0.000 2.179 1300 G HA2 -0.122 3.838 3.960 0.000 0.000 0.220 1300 G HA3 -0.122 3.838 3.960 0.000 0.000 0.220 1300 G C 0.135 175.044 174.900 0.014 0.000 0.990 1300 G CA -0.124 44.983 45.100 0.011 0.000 0.646 1300 G HN 0.859 nan 8.290 nan 0.000 0.517 1301 A N 0.510 123.339 122.820 0.014 0.000 2.425 1301 A HA 0.598 4.918 4.320 0.000 0.000 0.249 1301 A C 1.082 178.671 177.584 0.008 0.000 1.084 1301 A CA 1.036 53.083 52.037 0.016 0.000 0.781 1301 A CB 0.256 19.266 19.000 0.017 0.000 1.019 1301 A HN 1.217 nan 8.150 nan 0.000 0.490 1302 N N 0.048 118.752 118.700 0.007 0.000 2.067 1302 N HA 0.113 4.853 4.740 0.000 0.000 0.227 1302 N C -0.856 174.640 175.510 -0.022 0.000 1.348 1302 N CA 0.210 53.258 53.050 -0.004 0.000 0.879 1302 N CB 0.311 38.800 38.487 0.003 0.000 1.109 1302 N HN 0.260 nan 8.380 nan 0.000 0.501 1303 V N 1.620 121.521 119.914 -0.021 0.000 2.540 1303 V HA 0.620 4.740 4.120 0.000 0.000 0.302 1303 V C -1.262 174.777 176.094 -0.092 0.000 1.035 1303 V CA -0.879 61.376 62.300 -0.075 0.000 0.873 1303 V CB 1.880 33.702 31.823 -0.002 0.000 0.992 1303 V HN 0.217 nan 8.190 nan 0.000 0.428 1304 L N 5.292 126.366 121.223 -0.247 0.000 2.438 1304 L HA 0.732 5.072 4.340 0.000 0.000 0.270 1304 L C -1.659 174.976 176.870 -0.391 0.000 0.972 1304 L CA -0.030 54.704 54.840 -0.177 0.000 0.831 1304 L CB 1.730 43.735 42.059 -0.090 0.000 1.273 1304 L HN 0.466 nan 8.230 nan 0.000 0.405 1305 F N 4.558 124.519 119.950 0.017 0.000 2.449 1305 F HA 0.559 5.086 4.527 -0.000 0.000 0.342 1305 F C 0.006 175.814 175.800 0.013 0.000 1.127 1305 F CA -0.411 57.599 58.000 0.016 0.000 0.975 1305 F CB 1.702 40.711 39.000 0.016 0.000 1.146 1305 F HN 0.565 nan 8.300 nan 0.000 0.444 1306 C N 4.737 124.130 119.300 0.154 0.000 2.322 1306 C HA 0.276 4.736 4.460 0.000 0.000 0.324 1306 C C 1.522 176.570 174.990 0.096 0.000 1.284 1306 C CA -0.417 58.658 59.018 0.096 0.000 1.606 1306 C CB 0.980 28.750 27.740 0.049 0.000 2.251 1306 C HN 0.958 nan 8.230 nan 0.000 0.502 1307 Q N 3.105 122.949 119.800 0.074 0.000 2.119 1307 Q HA -0.029 4.311 4.340 0.000 0.000 0.201 1307 Q C 0.818 176.844 176.000 0.042 0.000 0.972 1307 Q CA 1.589 57.425 55.803 0.055 0.000 0.847 1307 Q CB 0.171 28.932 28.738 0.038 0.000 0.903 1307 Q HN 0.756 nan 8.270 nan 0.000 0.433 1308 K N -1.067 119.354 120.400 0.036 0.000 2.520 1308 K HA 0.416 4.737 4.320 0.000 0.000 0.256 1308 K C 0.327 176.942 176.600 0.025 0.000 1.033 1308 K CA -0.183 56.120 56.287 0.026 0.000 1.007 1308 K CB 0.071 32.583 32.500 0.020 0.000 1.330 1308 K HN 0.102 nan 8.250 nan 0.000 0.507 1309 G N 0.351 109.161 108.800 0.017 0.000 2.569 1309 G HA2 0.388 4.348 3.960 0.000 0.000 0.249 1309 G HA3 0.388 4.348 3.960 0.000 0.000 0.249 1309 G C -0.486 174.417 174.900 0.006 0.000 1.216 1309 G CA -0.498 44.608 45.100 0.010 0.000 0.845 1309 G HN 0.367 nan 8.290 nan 0.000 0.568 1310 I N 0.919 121.488 120.570 -0.003 0.000 2.439 1310 I HA 0.150 4.320 4.170 0.000 0.000 0.285 1310 I C -0.409 175.689 176.117 -0.031 0.000 1.021 1310 I CA -0.766 60.527 61.300 -0.012 0.000 1.091 1310 I CB 1.934 39.925 38.000 -0.014 0.000 1.242 1310 I HN 0.422 nan 8.210 nan 0.000 0.439 1311 D N 5.228 125.607 120.400 -0.035 0.000 2.455 1311 D HA -0.054 4.586 4.640 0.000 0.000 0.241 1311 D C 0.668 176.890 176.300 -0.130 0.000 1.138 1311 D CA 0.174 54.138 54.000 -0.061 0.000 0.877 1311 D CB 1.313 42.088 40.800 -0.041 0.000 1.187 1311 D HN 0.480 nan 8.370 nan 0.000 0.451 1312 D N 2.861 123.151 120.400 -0.182 0.000 2.172 1312 D HA -0.202 4.438 4.640 0.000 0.000 0.196 1312 D C 1.746 177.554 176.300 -0.820 0.000 0.999 1312 D CA 0.667 54.444 54.000 -0.370 0.000 0.856 1312 D CB 0.005 40.641 40.800 -0.274 0.000 0.934 1312 D HN 0.371 nan 8.370 nan 0.000 0.453 1313 L N 0.623 121.527 121.223 -0.532 0.000 2.083 1313 L HA -0.071 4.269 4.340 0.000 0.000 0.209 1313 L C 2.105 178.856 176.870 -0.199 0.000 1.083 1313 L CA 1.725 56.312 54.840 -0.423 0.000 0.752 1313 L CB -0.698 41.304 42.059 -0.095 0.000 0.899 1313 L HN -0.012 nan 8.230 nan 0.000 0.433 1314 A N -1.174 121.609 122.820 -0.061 0.000 1.933 1314 A HA -0.241 4.079 4.320 0.000 0.000 0.218 1314 A C 2.166 179.769 177.584 0.030 0.000 1.175 1314 A CA 1.695 53.777 52.037 0.074 0.000 0.628 1314 A CB -0.536 18.486 19.000 0.038 0.000 0.814 1314 A HN 0.651 nan 8.150 nan 0.000 0.444 1315 Q N -1.054 118.697 119.800 -0.081 0.000 2.170 1315 Q HA -0.184 4.156 4.340 0.000 0.000 0.203 1315 Q C 1.786 177.814 176.000 0.047 0.000 0.976 1315 Q CA 1.562 57.346 55.803 -0.033 0.000 0.858 1315 Q CB -0.339 28.367 28.738 -0.053 0.000 0.907 1315 Q HN 0.891 nan 8.270 nan 0.000 0.433 1316 H N -1.341 117.671 119.070 -0.098 0.000 2.389 1316 H HA -0.124 4.432 4.556 0.000 0.000 0.299 1316 H C 1.307 176.520 175.328 -0.192 0.000 1.081 1316 H CA 1.031 56.963 56.048 -0.194 0.000 1.345 1316 H CB 0.108 29.669 29.762 -0.334 0.000 1.393 1316 H HN 0.305 nan 8.280 nan 0.000 0.520 1317 Y N 0.383 120.749 120.300 0.109 0.000 2.365 1317 Y HA -0.082 4.468 4.550 0.000 0.000 0.293 1317 Y C 2.405 178.322 175.900 0.029 0.000 1.119 1317 Y CA 0.086 58.218 58.100 0.054 0.000 1.203 1317 Y CB 0.117 38.596 38.460 0.033 0.000 1.026 1317 Y HN 0.072 nan 8.280 nan 0.000 0.549 1318 L N -0.615 120.707 121.223 0.166 0.000 2.083 1318 L HA -0.246 4.094 4.340 0.000 0.000 0.209 1318 L C 2.649 179.552 176.870 0.055 0.000 1.083 1318 L CA 1.069 55.959 54.840 0.083 0.000 0.752 1318 L CB -0.630 41.455 42.059 0.044 0.000 0.899 1318 L HN 0.240 nan 8.230 nan 0.000 0.433 1319 A N -0.163 122.689 122.820 0.053 0.000 1.969 1319 A HA -0.238 4.082 4.320 0.000 0.000 0.218 1319 A C 2.372 179.975 177.584 0.032 0.000 1.169 1319 A CA 1.697 53.752 52.037 0.031 0.000 0.635 1319 A CB -0.384 18.630 19.000 0.023 0.000 0.810 1319 A HN 0.322 nan 8.150 nan 0.000 0.445 1320 K N -0.366 120.069 120.400 0.058 0.000 2.097 1320 K HA -0.145 4.175 4.320 0.000 0.000 0.206 1320 K C 1.029 177.657 176.600 0.047 0.000 1.049 1320 K CA 1.512 57.835 56.287 0.060 0.000 0.933 1320 K CB -0.003 32.565 32.500 0.112 0.000 0.717 1320 K HN 0.353 nan 8.250 nan 0.000 0.442 1321 E N -0.759 119.470 120.200 0.048 0.000 2.474 1321 E HA 0.059 4.409 4.350 0.000 0.000 0.195 1321 E C 0.602 177.213 176.600 0.018 0.000 1.039 1321 E CA 0.628 57.047 56.400 0.031 0.000 0.881 1321 E CB 0.880 30.599 29.700 0.031 0.000 0.970 1321 E HN 0.540 nan 8.360 nan 0.000 0.486 1322 G N 2.117 110.926 108.800 0.016 0.000 2.176 1322 G HA2 -0.288 3.672 3.960 0.000 0.000 0.252 1322 G HA3 -0.288 3.672 3.960 0.000 0.000 0.252 1322 G C 0.231 175.130 174.900 -0.002 0.000 1.024 1322 G CA 0.107 45.210 45.100 0.005 0.000 0.755 1322 G HN 0.273 nan 8.290 nan 0.000 0.507 1323 I N 0.993 121.562 120.570 -0.002 0.000 2.352 1323 I HA 0.378 4.548 4.170 0.000 0.000 0.290 1323 I C 1.125 177.219 176.117 -0.037 0.000 1.036 1323 I CA -0.955 60.334 61.300 -0.017 0.000 1.336 1323 I CB 1.375 39.368 38.000 -0.011 0.000 1.407 1323 I HN 0.165 nan 8.210 nan 0.000 0.497 1324 V N 4.070 123.947 119.914 -0.061 0.000 2.546 1324 V HA 0.889 5.009 4.120 0.000 0.000 0.284 1324 V C 0.115 176.107 176.094 -0.170 0.000 1.050 1324 V CA -0.215 62.029 62.300 -0.094 0.000 0.981 1324 V CB 1.119 32.889 31.823 -0.088 0.000 0.990 1324 V HN 0.830 nan 8.190 nan 0.000 0.474 1325 A N 3.709 126.424 122.820 -0.174 0.000 2.539 1325 A HA 1.020 5.340 4.320 0.000 0.000 0.296 1325 A C -0.357 177.100 177.584 -0.212 0.000 1.073 1325 A CA -0.354 51.547 52.037 -0.226 0.000 0.700 1325 A CB 1.904 20.831 19.000 -0.122 0.000 1.296 1325 A HN 2.417 nan 8.150 nan 0.000 0.405 1326 A N 1.525 124.194 122.820 -0.253 0.000 2.381 1326 A HA 0.740 5.060 4.320 0.000 0.000 0.299 1326 A C -0.093 177.499 177.584 0.012 0.000 1.049 1326 A CA -0.595 51.393 52.037 -0.083 0.000 0.715 1326 A CB 0.924 19.923 19.000 -0.002 0.000 1.222 1326 A HN 1.277 nan 8.150 nan 0.000 0.428 1327 R N 2.020 122.538 120.500 0.029 0.000 2.602 1327 R HA 0.696 5.036 4.340 0.000 0.000 0.237 1327 R C 0.374 176.711 176.300 0.062 0.000 1.219 1327 R CA -0.152 55.973 56.100 0.042 0.000 1.121 1327 R CB 0.340 30.651 30.300 0.017 0.000 1.408 1327 R HN 1.067 nan 8.270 nan 0.000 0.559 1328 R N -1.198 119.331 120.500 0.049 0.000 3.502 1328 R HA -0.130 4.210 4.340 0.000 0.000 0.266 1328 R C -1.234 175.099 176.300 0.056 0.000 1.077 1328 R CA 0.707 56.833 56.100 0.044 0.000 0.718 1328 R CB -2.558 27.762 30.300 0.032 0.000 1.120 1328 R HN 0.291 nan 8.270 nan 0.000 0.457 1329 V N 1.283 121.243 119.914 0.077 0.000 2.614 1329 V HA 0.082 4.202 4.120 0.000 0.000 0.291 1329 V C 1.179 177.298 176.094 0.042 0.000 1.049 1329 V CA -0.177 62.172 62.300 0.081 0.000 1.038 1329 V CB 1.410 33.310 31.823 0.129 0.000 0.980 1329 V HN 0.329 nan 8.190 nan 0.000 0.481 1330 K N 3.072 123.487 120.400 0.024 0.000 2.448 1330 K HA 0.024 4.344 4.320 0.000 0.000 0.278 1330 K C 1.175 177.774 176.600 -0.001 0.000 1.009 1330 K CA -0.289 56.003 56.287 0.009 0.000 0.995 1330 K CB 0.525 33.025 32.500 0.001 0.000 0.917 1330 K HN 0.616 nan 8.250 nan 0.000 0.481 1331 K N 2.310 122.710 120.400 0.001 0.000 2.113 1331 K HA -0.188 4.132 4.320 0.000 0.000 0.208 1331 K C 1.853 178.443 176.600 -0.016 0.000 1.047 1331 K CA 2.127 58.411 56.287 -0.004 0.000 0.928 1331 K CB -0.473 32.026 32.500 -0.001 0.000 0.716 1331 K HN 0.580 nan 8.250 nan 0.000 0.446 1332 S N 0.163 115.852 115.700 -0.018 0.000 2.370 1332 S HA -0.154 4.316 4.470 0.000 0.000 0.226 1332 S C 1.344 175.919 174.600 -0.042 0.000 1.033 1332 S CA 1.759 59.944 58.200 -0.026 0.000 1.011 1332 S CB -0.391 62.795 63.200 -0.022 0.000 0.852 1332 S HN 0.427 nan 8.310 nan 0.000 0.457 1333 D N 0.416 120.786 120.400 -0.050 0.000 2.234 1333 D HA 0.025 4.665 4.640 0.000 0.000 0.205 1333 D C 1.930 178.159 176.300 -0.118 0.000 0.962 1333 D CA 0.606 54.555 54.000 -0.085 0.000 0.855 1333 D CB -0.159 40.591 40.800 -0.083 0.000 0.951 1333 D HN 0.390 nan 8.370 nan 0.000 0.500 1334 M N 0.749 120.301 119.600 -0.080 0.000 2.159 1334 M HA -0.098 4.382 4.480 0.000 0.000 0.263 1334 M C 1.827 178.089 176.300 -0.064 0.000 1.063 1334 M CA 1.232 56.489 55.300 -0.072 0.000 1.110 1334 M CB -0.724 31.864 32.600 -0.020 0.000 1.374 1334 M HN 0.072 nan 8.290 nan 0.000 0.411 1335 E N -0.076 120.094 120.200 -0.051 0.000 2.112 1335 E HA -0.126 4.224 4.350 0.000 0.000 0.190 1335 E C 2.016 178.584 176.600 -0.054 0.000 0.979 1335 E CA 0.790 57.165 56.400 -0.042 0.000 0.814 1335 E CB 0.015 29.698 29.700 -0.030 0.000 0.762 1335 E HN 0.492 nan 8.360 nan 0.000 0.460 1336 K N 0.573 120.931 120.400 -0.070 0.000 2.148 1336 K HA -0.075 4.245 4.320 0.000 0.000 0.204 1336 K C 2.100 178.642 176.600 -0.098 0.000 1.050 1336 K CA 0.749 56.989 56.287 -0.078 0.000 0.942 1336 K CB 0.007 32.455 32.500 -0.087 0.000 0.724 1336 K HN 0.098 nan 8.250 nan 0.000 0.446 1337 L N 0.287 121.429 121.223 -0.136 0.000 2.072 1337 L HA -0.131 4.209 4.340 0.000 0.000 0.205 1337 L C 2.559 179.377 176.870 -0.088 0.000 1.079 1337 L CA 0.971 55.712 54.840 -0.164 0.000 0.752 1337 L CB -0.507 41.375 42.059 -0.295 0.000 0.906 1337 L HN 0.181 nan 8.230 nan 0.000 0.436 1338 A N 0.195 122.978 122.820 -0.062 0.000 1.902 1338 A HA -0.208 4.112 4.320 0.000 0.000 0.217 1338 A C 2.328 179.900 177.584 -0.020 0.000 1.181 1338 A CA 1.638 53.659 52.037 -0.027 0.000 0.623 1338 A CB -0.287 18.702 19.000 -0.019 0.000 0.818 1338 A HN 0.306 nan 8.150 nan 0.000 0.443 1339 K N -0.432 119.952 120.400 -0.028 0.000 2.031 1339 K HA 0.028 4.348 4.320 0.000 0.000 0.205 1339 K C 2.386 178.978 176.600 -0.013 0.000 1.049 1339 K CA 1.067 57.343 56.287 -0.018 0.000 0.939 1339 K CB -0.291 32.195 32.500 -0.024 0.000 0.717 1339 K HN 0.416 nan 8.250 nan 0.000 0.438 1340 A N 1.189 123.992 122.820 -0.028 0.000 1.855 1340 A HA -0.146 4.174 4.320 0.000 0.000 0.215 1340 A C 2.305 179.882 177.584 -0.011 0.000 1.191 1340 A CA 2.226 54.248 52.037 -0.025 0.000 0.613 1340 A CB -1.064 17.907 19.000 -0.049 0.000 0.829 1340 A HN 0.469 nan 8.150 nan 0.000 0.442 1341 T N -4.237 110.308 114.554 -0.015 0.000 3.043 1341 T HA 0.352 4.702 4.350 0.000 0.000 0.263 1341 T C 1.460 176.171 174.700 0.019 0.000 1.094 1341 T CA 1.239 63.341 62.100 0.004 0.000 1.127 1341 T CB -0.186 68.687 68.868 0.008 0.000 0.905 1341 T HN 1.814 nan 8.240 nan 0.000 0.490 1342 G N 1.439 110.248 108.800 0.016 0.000 2.143 1342 G HA2 -0.036 3.924 3.960 0.000 0.000 0.248 1342 G HA3 -0.036 3.924 3.960 0.000 0.000 0.248 1342 G C 0.259 175.172 174.900 0.022 0.000 0.991 1342 G CA 0.023 45.137 45.100 0.022 0.000 0.689 1342 G HN 1.209 nan 8.290 nan 0.000 0.522 1343 A N -0.385 122.447 122.820 0.019 0.000 2.445 1343 A HA 0.594 4.914 4.320 0.000 0.000 0.242 1343 A C 0.378 177.974 177.584 0.021 0.000 1.075 1343 A CA 0.612 52.665 52.037 0.028 0.000 0.777 1343 A CB 0.397 19.419 19.000 0.038 0.000 1.013 1343 A HN 0.912 nan 8.150 nan 0.000 0.493 1344 N N 1.425 120.140 118.700 0.025 0.000 2.417 1344 N HA 0.400 5.141 4.740 0.000 0.000 0.274 1344 N C -0.867 174.657 175.510 0.023 0.000 0.987 1344 N CA -0.373 52.689 53.050 0.019 0.000 0.912 1344 N CB 1.318 39.815 38.487 0.017 0.000 1.177 1344 N HN 0.334 nan 8.380 nan 0.000 0.490 1345 V N 4.056 123.982 119.914 0.019 0.000 2.540 1345 V HA 0.102 4.222 4.120 0.000 0.000 0.297 1345 V C 0.486 176.592 176.094 0.021 0.000 1.024 1345 V CA 0.148 62.462 62.300 0.022 0.000 1.105 1345 V CB -0.122 31.711 31.823 0.016 0.000 0.938 1345 V HN 0.591 nan 8.190 nan 0.000 0.482 1346 I N 4.282 124.867 120.570 0.025 0.000 2.740 1346 I HA 0.472 4.642 4.170 0.000 0.000 0.303 1346 I C 1.107 177.236 176.117 0.020 0.000 1.044 1346 I CA 0.323 61.635 61.300 0.020 0.000 1.064 1346 I CB 2.433 40.446 38.000 0.021 0.000 1.249 1346 I HN 0.784 nan 8.210 nan 0.000 0.433 1347 T N 2.356 116.919 114.554 0.015 0.000 2.904 1347 T HA 0.187 4.537 4.350 0.000 0.000 0.243 1347 T C 0.781 175.489 174.700 0.013 0.000 1.024 1347 T CA 0.283 62.391 62.100 0.014 0.000 1.158 1347 T CB -0.341 68.534 68.868 0.011 0.000 0.867 1347 T HN 0.429 nan 8.240 nan 0.000 0.429 1348 N N 0.633 119.339 118.700 0.010 0.000 2.456 1348 N HA 0.364 5.104 4.740 0.000 0.000 0.288 1348 N C 0.951 176.466 175.510 0.009 0.000 1.059 1348 N CA -0.584 52.471 53.050 0.008 0.000 0.946 1348 N CB 1.105 39.596 38.487 0.006 0.000 1.150 1348 N HN 0.288 nan 8.380 nan 0.000 0.479 1349 I N 2.206 122.780 120.570 0.007 0.000 2.264 1349 I HA -0.235 3.935 4.170 0.000 0.000 0.248 1349 I C 1.955 178.074 176.117 0.002 0.000 1.111 1349 I CA 0.899 62.202 61.300 0.005 0.000 1.382 1349 I CB 0.028 38.029 38.000 0.002 0.000 1.060 1349 I HN 0.451 nan 8.210 nan 0.000 0.418 1350 K N 0.406 120.806 120.400 0.000 0.000 2.211 1350 K HA -0.156 4.164 4.320 0.000 0.000 0.203 1350 K C 1.423 178.024 176.600 0.001 0.000 1.050 1350 K CA 1.214 57.500 56.287 -0.002 0.000 0.945 1350 K CB -0.321 32.177 32.500 -0.003 0.000 0.732 1350 K HN 0.335 nan 8.250 nan 0.000 0.451 1351 D N 0.585 120.987 120.400 0.004 0.000 2.249 1351 D HA -0.064 4.576 4.640 0.000 0.000 0.205 1351 D C 0.578 176.883 176.300 0.008 0.000 0.962 1351 D CA 0.033 54.036 54.000 0.006 0.000 0.860 1351 D CB -0.171 40.633 40.800 0.007 0.000 0.955 1351 D HN -0.014 nan 8.370 nan 0.000 0.505 1352 L N 1.580 122.809 121.223 0.010 0.000 2.628 1352 L HA 0.024 4.364 4.340 0.000 0.000 0.274 1352 L C 0.328 177.205 176.870 0.011 0.000 1.209 1352 L CA 0.236 55.083 54.840 0.013 0.000 0.930 1352 L CB 0.042 42.110 42.059 0.015 0.000 1.183 1352 L HN -0.056 nan 8.230 nan 0.000 0.492 1353 S N 3.355 119.063 115.700 0.013 0.000 2.704 1353 S HA 0.800 5.270 4.470 0.000 0.000 0.296 1353 S C 0.853 175.462 174.600 0.015 0.000 1.138 1353 S CA -0.388 57.819 58.200 0.011 0.000 0.875 1353 S CB 1.264 64.470 63.200 0.010 0.000 1.151 1353 S HN 0.812 nan 8.310 nan 0.000 0.500 1354 A N 0.518 123.346 122.820 0.014 0.000 1.978 1354 A HA -0.089 4.231 4.320 0.000 0.000 0.220 1354 A C 2.026 179.621 177.584 0.017 0.000 1.170 1354 A CA 1.376 53.423 52.037 0.016 0.000 0.636 1354 A CB -0.925 18.083 19.000 0.014 0.000 0.810 1354 A HN 0.738 nan 8.150 nan 0.000 0.448 1355 Q N 0.066 119.875 119.800 0.015 0.000 2.437 1355 Q HA -0.114 4.226 4.340 0.000 0.000 0.210 1355 Q C 0.643 176.653 176.000 0.017 0.000 0.972 1355 Q CA 1.160 56.972 55.803 0.015 0.000 0.903 1355 Q CB -0.236 28.509 28.738 0.012 0.000 0.967 1355 Q HN 0.682 nan 8.270 nan 0.000 0.486 1356 D N -0.279 120.132 120.400 0.019 0.000 2.346 1356 D HA 0.076 4.716 4.640 0.000 0.000 0.206 1356 D C 0.490 176.807 176.300 0.029 0.000 1.001 1356 D CA 0.093 54.106 54.000 0.022 0.000 0.871 1356 D CB 0.648 41.461 40.800 0.021 0.000 0.943 1356 D HN 0.198 nan 8.370 nan 0.000 0.518 1357 L N 1.032 122.272 121.223 0.030 0.000 2.380 1357 L HA 0.381 4.721 4.340 0.000 0.000 0.273 1357 L C 1.154 178.047 176.870 0.038 0.000 1.138 1357 L CA -0.452 54.410 54.840 0.037 0.000 0.832 1357 L CB 1.213 43.292 42.059 0.034 0.000 1.124 1357 L HN -0.143 nan 8.230 nan 0.000 0.454 1358 G N 1.206 110.033 108.800 0.046 0.000 2.491 1358 G HA2 0.457 4.417 3.960 0.000 0.000 0.327 1358 G HA3 0.457 4.417 3.960 0.000 0.000 0.327 1358 G C -1.188 173.739 174.900 0.045 0.000 1.189 1358 G CA -0.489 44.637 45.100 0.042 0.000 0.956 1358 G HN 0.533 nan 8.290 nan 0.000 0.491 1359 D N -0.172 120.250 120.400 0.038 0.000 2.248 1359 D HA 0.594 5.234 4.640 0.000 0.000 0.246 1359 D C -0.354 175.964 176.300 0.030 0.000 1.027 1359 D CA 0.028 54.048 54.000 0.033 0.000 0.853 1359 D CB 2.079 42.894 40.800 0.025 0.000 1.243 1359 D HN 0.553 nan 8.370 nan 0.000 0.462 1360 A N 0.588 123.430 122.820 0.037 0.000 2.398 1360 A HA 0.604 4.924 4.320 0.000 0.000 0.301 1360 A C 0.997 178.600 177.584 0.031 0.000 1.041 1360 A CA -0.485 51.573 52.037 0.036 0.000 0.711 1360 A CB 1.656 20.694 19.000 0.063 0.000 1.240 1360 A HN 0.515 nan 8.150 nan 0.000 0.420 1361 G N 0.654 109.466 108.800 0.019 0.000 2.422 1361 G HA2 0.246 4.206 3.960 0.000 0.000 0.218 1361 G HA3 0.246 4.206 3.960 0.000 0.000 0.218 1361 G C 0.326 175.243 174.900 0.029 0.000 1.146 1361 G CA 1.690 46.799 45.100 0.016 0.000 0.769 1361 G HN 1.136 nan 8.290 nan 0.000 0.547 1362 L N -0.070 121.179 121.223 0.043 0.000 2.505 1362 L HA 0.599 4.939 4.340 0.000 0.000 0.266 1362 L C -1.313 175.608 176.870 0.085 0.000 0.954 1362 L CA -0.753 54.121 54.840 0.056 0.000 0.852 1362 L CB 2.504 44.594 42.059 0.053 0.000 1.282 1362 L HN -0.143 nan 8.230 nan 0.000 0.403 1363 V N 4.487 124.454 119.914 0.089 0.000 2.350 1363 V HA 0.632 4.752 4.120 0.000 0.000 0.285 1363 V C -0.411 175.740 176.094 0.095 0.000 1.014 1363 V CA -0.420 61.954 62.300 0.124 0.000 0.831 1363 V CB 1.320 33.227 31.823 0.140 0.000 1.000 1363 V HN 0.823 nan 8.190 nan 0.000 0.433 1364 E N 3.215 123.481 120.200 0.110 0.000 2.308 1364 E HA 0.391 4.741 4.350 0.000 0.000 0.275 1364 E C -0.964 175.643 176.600 0.012 0.000 0.890 1364 E CA -0.681 55.747 56.400 0.047 0.000 0.754 1364 E CB 2.168 31.882 29.700 0.024 0.000 1.207 1364 E HN 0.734 nan 8.360 nan 0.000 0.426 1365 E N 4.137 124.322 120.200 -0.026 0.000 2.180 1365 E HA 0.216 4.566 4.350 0.000 0.000 0.283 1365 E C -0.896 175.612 176.600 -0.153 0.000 1.061 1365 E CA -0.151 56.212 56.400 -0.061 0.000 0.861 1365 E CB 0.640 30.321 29.700 -0.032 0.000 1.056 1365 E HN 0.336 nan 8.360 nan 0.000 0.407 1366 R N 3.681 124.009 120.500 -0.287 0.000 2.686 1366 R HA 0.396 4.736 4.340 0.000 0.000 0.283 1366 R C -0.802 175.323 176.300 -0.292 0.000 0.978 1366 R CA -0.916 54.954 56.100 -0.383 0.000 0.897 1366 R CB 2.007 31.876 30.300 -0.718 0.000 1.192 1366 R HN 0.325 nan 8.270 nan 0.000 0.457 1367 K N 2.390 122.677 120.400 -0.188 0.000 2.213 1367 K HA 0.414 4.734 4.320 0.000 0.000 0.270 1367 K C -0.774 175.775 176.600 -0.085 0.000 1.002 1367 K CA -0.554 55.670 56.287 -0.105 0.000 0.868 1367 K CB 1.274 33.736 32.500 -0.064 0.000 1.093 1367 K HN 0.296 nan 8.250 nan 0.000 0.454 1368 I N 1.945 122.492 120.570 -0.038 0.000 2.390 1368 I HA 0.086 4.256 4.170 0.000 0.000 0.283 1368 I C 0.044 176.171 176.117 0.015 0.000 1.016 1368 I CA -0.178 61.125 61.300 0.005 0.000 1.151 1368 I CB 1.677 39.719 38.000 0.070 0.000 1.293 1368 I HN 0.578 nan 8.210 nan 0.000 0.458 1369 S N 4.471 120.176 115.700 0.009 0.000 3.581 1369 S HA -0.193 4.277 4.470 0.000 0.000 0.354 1369 S C 1.362 175.965 174.600 0.005 0.000 1.059 1369 S CA 1.065 59.270 58.200 0.009 0.000 1.060 1369 S CB -1.330 61.880 63.200 0.016 0.000 0.908 1369 S HN 1.458 nan 8.310 nan 0.000 0.475 1370 G N 0.439 109.237 108.800 -0.002 0.000 2.358 1370 G HA2 -0.264 3.696 3.960 0.000 0.000 0.224 1370 G HA3 -0.264 3.696 3.960 0.000 0.000 0.224 1370 G C -0.365 174.532 174.900 -0.004 0.000 1.073 1370 G CA 0.045 45.142 45.100 -0.005 0.000 0.635 1370 G HN 0.606 nan 8.290 nan 0.000 0.509 1371 D N 1.880 122.284 120.400 0.006 0.000 2.412 1371 D HA 0.386 5.026 4.640 0.000 0.000 0.257 1371 D C 0.475 176.780 176.300 0.008 0.000 1.217 1371 D CA 0.897 54.906 54.000 0.014 0.000 0.897 1371 D CB 1.406 42.223 40.800 0.028 0.000 1.132 1371 D HN 0.276 nan 8.370 nan 0.000 0.493 1372 S N 3.433 119.136 115.700 0.005 0.000 2.481 1372 S HA 0.367 4.837 4.470 0.000 0.000 0.276 1372 S C -0.141 174.476 174.600 0.028 0.000 1.247 1372 S CA -0.424 57.773 58.200 -0.005 0.000 1.053 1372 S CB 0.148 63.345 63.200 -0.005 0.000 0.925 1372 S HN 0.315 nan 8.310 nan 0.000 0.491 1373 M N 4.437 124.050 119.600 0.023 0.000 2.619 1373 M HA 0.534 5.014 4.480 0.000 0.000 0.297 1373 M C -1.068 175.305 176.300 0.121 0.000 1.229 1373 M CA -0.652 54.723 55.300 0.125 0.000 0.860 1373 M CB 2.150 34.921 32.600 0.285 0.000 1.741 1373 M HN 0.441 nan 8.290 nan 0.000 0.462 1374 I N 1.998 122.715 120.570 0.246 0.000 2.330 1374 I HA 0.338 4.508 4.170 0.000 0.000 0.289 1374 I C -1.261 175.148 176.117 0.488 0.000 1.001 1374 I CA -0.458 61.010 61.300 0.279 0.000 1.193 1374 I CB 0.897 39.061 38.000 0.273 0.000 1.345 1374 I HN 0.391 nan 8.210 nan 0.000 0.461 1375 F N 6.256 126.245 119.950 0.066 0.000 2.391 1375 F HA 0.335 4.862 4.527 -0.000 0.000 0.359 1375 F C 0.227 176.061 175.800 0.058 0.000 1.122 1375 F CA -0.995 57.032 58.000 0.045 0.000 1.120 1375 F CB 1.310 40.327 39.000 0.028 0.000 1.142 1375 F HN 0.001 nan 8.300 nan 0.000 0.483 1376 V N 4.915 124.926 119.914 0.163 0.000 2.311 1376 V HA 0.363 4.483 4.120 0.000 0.000 0.275 1376 V C -0.247 175.870 176.094 0.039 0.000 1.022 1376 V CA -0.577 61.785 62.300 0.104 0.000 0.830 1376 V CB 0.698 32.553 31.823 0.054 0.000 1.012 1376 V HN 0.786 nan 8.190 nan 0.000 0.452 1377 E N 3.318 123.553 120.200 0.058 0.000 2.433 1377 E HA 0.679 5.029 4.350 0.000 0.000 0.273 1377 E C -0.819 175.793 176.600 0.020 0.000 0.950 1377 E CA -0.910 55.506 56.400 0.027 0.000 0.796 1377 E CB 1.755 31.487 29.700 0.053 0.000 1.330 1377 E HN 0.231 nan 8.360 nan 0.000 0.455 1378 E N -0.945 119.255 120.200 0.001 0.000 2.596 1378 E HA -0.141 4.209 4.350 0.000 0.000 0.272 1378 E C -0.704 175.880 176.600 -0.026 0.000 1.039 1378 E CA 0.477 56.870 56.400 -0.011 0.000 0.804 1378 E CB -2.405 27.296 29.700 0.001 0.000 1.373 1378 E HN 0.597 nan 8.360 nan 0.000 0.404 1379 C N 0.814 120.096 119.300 -0.031 0.000 2.679 1379 C HA 0.049 4.509 4.460 0.000 0.000 0.417 1379 C C 2.285 177.223 174.990 -0.086 0.000 1.302 1379 C CA 0.055 59.050 59.018 -0.039 0.000 1.973 1379 C CB 0.357 28.079 27.740 -0.029 0.000 2.715 1379 C HN 0.388 nan 8.230 nan 0.000 0.628 1380 K N 0.859 121.192 120.400 -0.110 0.000 1.973 1380 K HA -0.068 4.252 4.320 0.000 0.000 0.212 1380 K C 0.447 176.753 176.600 -0.491 0.000 1.047 1380 K CA 1.302 57.424 56.287 -0.276 0.000 0.937 1380 K CB -0.057 32.328 32.500 -0.191 0.000 0.721 1380 K HN 0.686 nan 8.250 nan 0.000 0.440 1381 H N 0.390 119.459 119.070 -0.002 0.000 2.380 1381 H HA 0.244 4.800 4.556 0.000 0.000 0.231 1381 H C -2.501 172.821 175.328 -0.009 0.000 1.415 1381 H CA -1.981 54.064 56.048 -0.005 0.000 1.433 1381 H CB 0.653 30.413 29.762 -0.004 0.000 1.544 1381 H HN 0.197 nan 8.280 nan 0.000 0.503 1382 P HA 0.138 nan 4.420 nan 0.000 0.275 1382 P C 0.380 177.695 177.300 0.024 0.000 1.227 1382 P CA -0.529 62.583 63.100 0.021 0.000 0.781 1382 P CB 1.845 33.539 31.700 -0.010 0.000 0.906 1383 K N 0.618 121.024 120.400 0.010 0.000 2.373 1383 K HA 0.459 4.779 4.320 0.000 0.000 0.202 1383 K C 0.186 176.779 176.600 -0.012 0.000 1.025 1383 K CA 0.042 56.331 56.287 0.003 0.000 1.115 1383 K CB 0.530 33.031 32.500 0.001 0.000 0.858 1383 K HN 0.574 nan 8.250 nan 0.000 0.525 1384 A N -0.203 122.605 122.820 -0.020 0.000 2.520 1384 A HA 0.715 5.036 4.320 0.000 0.000 0.298 1384 A C -1.612 175.948 177.584 -0.041 0.000 1.051 1384 A CA -0.689 51.328 52.037 -0.033 0.000 0.690 1384 A CB 1.776 20.750 19.000 -0.043 0.000 1.281 1384 A HN -0.051 nan 8.150 nan 0.000 0.402 1385 V N 0.869 120.755 119.914 -0.046 0.000 3.007 1385 V HA 0.852 4.972 4.120 0.000 0.000 0.311 1385 V C -0.801 175.253 176.094 -0.068 0.000 1.120 1385 V CA -0.153 62.114 62.300 -0.054 0.000 0.980 1385 V CB 2.660 34.459 31.823 -0.041 0.000 1.033 1385 V HN 1.083 nan 8.190 nan 0.000 0.429 1386 T N 6.602 121.102 114.554 -0.089 0.000 2.848 1386 T HA 0.498 4.848 4.350 0.000 0.000 0.285 1386 T C -0.608 174.031 174.700 -0.103 0.000 0.995 1386 T CA -0.264 61.772 62.100 -0.107 0.000 0.970 1386 T CB 1.327 70.100 68.868 -0.159 0.000 0.976 1386 T HN 0.751 nan 8.240 nan 0.000 0.441 1387 M N 4.539 124.090 119.600 -0.081 0.000 2.114 1387 M HA 0.571 5.051 4.480 0.000 0.000 0.332 1387 M C -1.559 174.705 176.300 -0.060 0.000 1.014 1387 M CA -1.133 54.130 55.300 -0.062 0.000 0.956 1387 M CB 0.726 33.303 32.600 -0.040 0.000 1.551 1387 M HN 0.493 nan 8.290 nan 0.000 0.427 1388 L N 7.516 128.705 121.223 -0.058 0.000 2.257 1388 L HA 0.561 4.901 4.340 0.000 0.000 0.290 1388 L C -1.410 175.457 176.870 -0.005 0.000 1.044 1388 L CA 0.025 54.845 54.840 -0.034 0.000 0.810 1388 L CB 0.682 42.725 42.059 -0.027 0.000 1.193 1388 L HN 0.697 nan 8.230 nan 0.000 0.425 1389 I N 5.896 126.466 120.570 -0.001 0.000 2.336 1389 I HA 0.495 4.665 4.170 0.000 0.000 0.292 1389 I C 0.060 176.186 176.117 0.015 0.000 0.991 1389 I CA -0.666 60.638 61.300 0.006 0.000 1.227 1389 I CB 0.802 38.803 38.000 0.000 0.000 1.366 1389 I HN 0.551 nan 8.210 nan 0.000 0.466 1390 R N 3.961 124.472 120.500 0.019 0.000 2.902 1390 R HA 0.912 5.252 4.340 0.000 0.000 0.258 1390 R C -0.271 176.040 176.300 0.019 0.000 1.071 1390 R CA -1.063 55.050 56.100 0.022 0.000 1.024 1390 R CB 1.943 32.259 30.300 0.027 0.000 1.184 1390 R HN 0.859 nan 8.270 nan 0.000 0.492 1391 G N -1.107 107.705 108.800 0.021 0.000 2.328 1391 G HA2 -0.018 3.942 3.960 0.000 0.000 0.299 1391 G HA3 -0.018 3.942 3.960 0.000 0.000 0.299 1391 G C -0.003 174.911 174.900 0.023 0.000 1.435 1391 G CA -0.079 45.034 45.100 0.022 0.000 0.865 1391 G HN 0.390 nan 8.290 nan 0.000 0.601 1392 T N -0.813 113.757 114.554 0.025 0.000 2.995 1392 T HA 0.305 4.655 4.350 0.000 0.000 0.269 1392 T C 0.830 175.550 174.700 0.033 0.000 1.091 1392 T CA 2.312 64.428 62.100 0.026 0.000 1.128 1392 T CB -0.248 68.634 68.868 0.025 0.000 0.891 1392 T HN 0.764 nan 8.240 nan 0.000 0.492 1393 T N 0.092 114.671 114.554 0.041 0.000 2.889 1393 T HA 0.305 4.655 4.350 0.000 0.000 0.315 1393 T C 0.260 174.988 174.700 0.047 0.000 1.291 1393 T CA -0.651 61.484 62.100 0.059 0.000 1.028 1393 T CB 2.102 71.025 68.868 0.091 0.000 1.235 1393 T HN -0.020 nan 8.240 nan 0.000 0.491 1394 E N 0.942 121.156 120.200 0.023 0.000 2.049 1394 E HA -0.219 4.131 4.350 0.000 0.000 0.198 1394 E C 1.383 177.927 176.600 -0.093 0.000 1.007 1394 E CA 2.220 58.580 56.400 -0.066 0.000 0.809 1394 E CB -0.229 29.378 29.700 -0.154 0.000 0.749 1394 E HN 0.742 nan 8.360 nan 0.000 0.450 1395 H N -1.157 117.917 119.070 0.007 0.000 2.456 1395 H HA -0.030 4.526 4.556 -0.000 0.000 0.296 1395 H C 1.989 177.321 175.328 0.006 0.000 1.079 1395 H CA 1.250 57.302 56.048 0.006 0.000 1.322 1395 H CB 0.050 29.815 29.762 0.005 0.000 1.388 1395 H HN 0.041 nan 8.280 nan 0.000 0.538 1396 V N 1.192 121.177 119.914 0.117 0.000 2.323 1396 V HA -0.197 3.923 4.120 0.000 0.000 0.244 1396 V C 2.299 178.417 176.094 0.039 0.000 1.041 1396 V CA 1.875 64.215 62.300 0.067 0.000 1.025 1396 V CB -0.439 31.416 31.823 0.053 0.000 0.656 1396 V HN 0.546 nan 8.190 nan 0.000 0.451 1397 I N -1.948 118.637 120.570 0.024 0.000 2.830 1397 I HA -0.068 4.102 4.170 0.000 0.000 0.263 1397 I C 2.077 178.194 176.117 0.001 0.000 1.230 1397 I CA 1.403 62.709 61.300 0.010 0.000 1.480 1397 I CB -0.524 37.478 38.000 0.003 0.000 1.095 1397 I HN 0.294 nan 8.210 nan 0.000 0.455 1398 E N 1.482 121.680 120.200 -0.004 0.000 2.076 1398 E HA -0.201 4.149 4.350 0.000 0.000 0.190 1398 E C 2.044 178.650 176.600 0.010 0.000 0.979 1398 E CA 1.058 57.452 56.400 -0.011 0.000 0.807 1398 E CB -0.009 29.669 29.700 -0.037 0.000 0.761 1398 E HN 0.615 nan 8.360 nan 0.000 0.454 1399 E N 0.719 120.935 120.200 0.027 0.000 2.106 1399 E HA -0.159 4.191 4.350 0.000 0.000 0.192 1399 E C 2.060 178.672 176.600 0.020 0.000 0.984 1399 E CA 0.902 57.319 56.400 0.029 0.000 0.806 1399 E CB 0.238 29.961 29.700 0.039 0.000 0.750 1399 E HN 0.022 nan 8.360 nan 0.000 0.458 1400 V N 1.233 121.158 119.914 0.018 0.000 2.343 1400 V HA -0.250 3.870 4.120 0.000 0.000 0.247 1400 V C 2.464 178.562 176.094 0.007 0.000 1.051 1400 V CA 1.737 64.044 62.300 0.013 0.000 1.036 1400 V CB -0.732 31.098 31.823 0.012 0.000 0.654 1400 V HN 0.437 nan 8.190 nan 0.000 0.451 1401 A N -0.280 122.542 122.820 0.003 0.000 1.933 1401 A HA -0.199 4.121 4.320 0.000 0.000 0.218 1401 A C 2.358 179.942 177.584 -0.001 0.000 1.175 1401 A CA 1.477 53.512 52.037 -0.002 0.000 0.628 1401 A CB -0.416 18.580 19.000 -0.007 0.000 0.814 1401 A HN 0.384 nan 8.150 nan 0.000 0.444 1402 R N -0.544 119.958 120.500 0.004 0.000 2.090 1402 R HA 0.040 4.380 4.340 0.000 0.000 0.228 1402 R C 2.422 178.726 176.300 0.006 0.000 1.110 1402 R CA 1.279 57.382 56.100 0.005 0.000 0.973 1402 R CB -1.086 29.219 30.300 0.009 0.000 0.869 1402 R HN 0.525 nan 8.270 nan 0.000 0.440 1403 A N 0.974 123.800 122.820 0.009 0.000 1.902 1403 A HA -0.128 4.192 4.320 0.000 0.000 0.217 1403 A C 2.271 179.859 177.584 0.007 0.000 1.181 1403 A CA 1.933 53.977 52.037 0.011 0.000 0.623 1403 A CB -0.611 18.398 19.000 0.014 0.000 0.818 1403 A HN 0.211 nan 8.150 nan 0.000 0.443 1404 V N -2.402 117.514 119.914 0.003 0.000 2.719 1404 V HA -0.112 4.008 4.120 0.000 0.000 0.252 1404 V C 1.926 178.018 176.094 -0.003 0.000 1.065 1404 V CA 2.047 64.346 62.300 -0.000 0.000 1.086 1404 V CB -0.629 31.192 31.823 -0.003 0.000 0.700 1404 V HN 0.543 nan 8.190 nan 0.000 0.467 1405 D N 1.078 121.476 120.400 -0.003 0.000 2.097 1405 D HA -0.241 4.399 4.640 0.000 0.000 0.195 1405 D C 1.681 177.980 176.300 -0.002 0.000 0.989 1405 D CA 2.056 56.054 54.000 -0.004 0.000 0.827 1405 D CB -0.059 40.739 40.800 -0.003 0.000 0.966 1405 D HN 0.509 nan 8.370 nan 0.000 0.456 1406 D N 0.337 120.737 120.400 0.001 0.000 2.144 1406 D HA -0.067 4.573 4.640 0.000 0.000 0.200 1406 D C 2.010 178.312 176.300 0.002 0.000 0.978 1406 D CA 1.131 55.132 54.000 0.003 0.000 0.833 1406 D CB -0.439 40.364 40.800 0.005 0.000 0.961 1406 D HN 0.266 nan 8.370 nan 0.000 0.470 1407 A N 0.663 123.484 122.820 0.002 0.000 1.908 1407 A HA -0.152 4.168 4.320 0.000 0.000 0.218 1407 A C 2.507 180.090 177.584 -0.001 0.000 1.181 1407 A CA 1.290 53.328 52.037 0.001 0.000 0.627 1407 A CB -0.784 18.216 19.000 0.001 0.000 0.818 1407 A HN 0.151 nan 8.150 nan 0.000 0.445 1408 V N -0.111 119.801 119.914 -0.003 0.000 2.427 1408 V HA -0.165 3.955 4.120 0.000 0.000 0.248 1408 V C 2.802 178.894 176.094 -0.004 0.000 1.051 1408 V CA 1.858 64.155 62.300 -0.005 0.000 1.048 1408 V CB -1.413 30.405 31.823 -0.008 0.000 0.666 1408 V HN 0.626 nan 8.190 nan 0.000 0.456 1409 G N 0.584 109.383 108.800 -0.003 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 1.701 176.600 174.900 -0.001 0.000 1.168 1409 G CA 1.631 46.730 45.100 -0.002 0.000 0.771 1409 G HN 0.601 nan 8.290 nan 0.000 0.551 1410 V N -1.537 118.377 119.914 0.000 0.000 2.719 1410 V HA 0.029 4.149 4.120 0.000 0.000 0.252 1410 V C 2.612 178.706 176.094 0.000 0.000 1.065 1410 V CA 1.212 63.513 62.300 0.001 0.000 1.086 1410 V CB -0.301 31.524 31.823 0.003 0.000 0.700 1410 V HN 0.130 nan 8.190 nan 0.000 0.467 1411 V N 2.091 122.004 119.914 -0.001 0.000 2.358 1411 V HA -0.031 4.089 4.120 0.000 0.000 0.246 1411 V C 2.918 179.010 176.094 -0.003 0.000 1.047 1411 V CA 2.246 64.545 62.300 -0.002 0.000 1.035 1411 V CB -1.332 30.489 31.823 -0.004 0.000 0.658 1411 V HN 0.613 nan 8.190 nan 0.000 0.452 1412 G N -1.264 107.534 108.800 -0.003 0.000 2.422 1412 G HA2 -0.255 3.705 3.960 0.000 0.000 0.218 1412 G HA3 -0.255 3.705 3.960 0.000 0.000 0.218 1412 G C 1.707 176.606 174.900 -0.002 0.000 1.146 1412 G CA 1.293 46.391 45.100 -0.003 0.000 0.769 1412 G HN 0.536 nan 8.290 nan 0.000 0.547 1413 C N 0.248 119.547 119.300 -0.001 0.000 2.440 1413 C HA 0.024 4.484 4.460 0.000 0.000 0.278 1413 C C 3.147 178.137 174.990 -0.000 0.000 1.295 1413 C CA 1.482 60.500 59.018 -0.000 0.000 1.738 1413 C CB -0.809 26.932 27.740 0.001 0.000 1.987 1413 C HN 0.405 nan 8.230 nan 0.000 0.492 1414 T N 0.708 115.262 114.554 -0.001 0.000 3.043 1414 T HA 0.113 4.463 4.350 0.000 0.000 0.263 1414 T C 1.567 176.266 174.700 -0.001 0.000 1.094 1414 T CA 0.737 62.837 62.100 -0.001 0.000 1.127 1414 T CB -0.122 68.746 68.868 -0.001 0.000 0.905 1414 T HN 0.468 nan 8.240 nan 0.000 0.490 1415 I N 0.762 121.331 120.570 -0.002 0.000 2.333 1415 I HA -0.048 4.122 4.170 0.000 0.000 0.246 1415 I C 2.454 178.570 176.117 -0.002 0.000 1.106 1415 I CA 1.210 62.509 61.300 -0.002 0.000 1.411 1415 I CB -0.116 37.882 38.000 -0.003 0.000 1.082 1415 I HN 0.254 nan 8.210 nan 0.000 0.420 1416 E N 0.064 120.262 120.200 -0.002 0.000 2.122 1416 E HA -0.056 4.294 4.350 0.000 0.000 0.190 1416 E C -0.073 176.526 176.600 -0.001 0.000 0.977 1416 E CA 0.660 57.058 56.400 -0.002 0.000 0.820 1416 E CB 0.268 29.967 29.700 -0.002 0.000 0.770 1416 E HN 0.347 nan 8.360 nan 0.000 0.462 1417 D N 0.164 120.563 120.400 -0.001 0.000 2.446 1417 D HA 0.128 4.768 4.640 0.000 0.000 0.251 1417 D C -0.086 176.213 176.300 -0.000 0.000 1.137 1417 D CA -0.099 53.901 54.000 -0.001 0.000 0.890 1417 D CB 1.437 42.237 40.800 0.000 0.000 1.071 1417 D HN 0.092 nan 8.370 nan 0.000 0.528 1418 G N 2.258 111.057 108.800 -0.001 0.000 3.340 1418 G HA2 -0.051 3.909 3.960 0.000 0.000 0.240 1418 G HA3 -0.051 3.909 3.960 0.000 0.000 0.240 1418 G C 0.614 175.514 174.900 -0.000 0.000 1.327 1418 G CA -0.146 44.953 45.100 -0.001 0.000 1.170 1418 G HN 0.080 nan 8.290 nan 0.000 0.520 1419 R N 0.353 120.853 120.500 0.000 0.000 2.494 1419 R HA 0.569 4.909 4.340 0.000 0.000 0.305 1419 R C -0.100 176.201 176.300 0.002 0.000 0.959 1419 R CA -0.643 55.458 56.100 0.001 0.000 0.864 1419 R CB 1.754 32.055 30.300 0.001 0.000 1.159 1419 R HN 0.388 nan 8.270 nan 0.000 0.446 1420 I N -1.267 119.305 120.570 0.003 0.000 3.002 1420 I HA 0.809 4.979 4.170 0.000 0.000 0.310 1420 I C -0.184 175.937 176.117 0.007 0.000 1.087 1420 I CA -1.301 60.002 61.300 0.005 0.000 1.017 1420 I CB 2.445 40.448 38.000 0.004 0.000 1.226 1420 I HN 0.301 nan 8.210 nan 0.000 0.443 1421 V N -0.300 119.620 119.914 0.010 0.000 3.078 1421 V HA 0.673 4.793 4.120 0.000 0.000 0.311 1421 V C 0.093 176.198 176.094 0.018 0.000 1.138 1421 V CA -0.582 61.727 62.300 0.015 0.000 1.007 1421 V CB 1.177 33.011 31.823 0.017 0.000 1.045 1421 V HN 1.026 nan 8.190 nan 0.000 0.432 1422 S N 1.507 117.222 115.700 0.024 0.000 2.562 1422 S HA 0.647 5.117 4.470 0.000 0.000 0.281 1422 S C 0.559 175.179 174.600 0.034 0.000 1.333 1422 S CA 0.170 58.388 58.200 0.029 0.000 1.052 1422 S CB 0.845 64.066 63.200 0.035 0.000 0.884 1422 S HN 1.792 nan 8.310 nan 0.000 0.506 1423 G N 0.369 109.190 108.800 0.035 0.000 2.630 1423 G HA2 0.543 4.503 3.960 0.000 0.000 0.223 1423 G HA3 0.543 4.503 3.960 0.000 0.000 0.223 1423 G C 0.913 175.839 174.900 0.043 0.000 1.434 1423 G CA -0.551 44.572 45.100 0.037 0.000 1.057 1423 G HN 2.030 nan 8.290 nan 0.000 0.570 1424 G N -1.995 106.832 108.800 0.045 0.000 2.179 1424 G HA2 0.236 4.196 3.960 0.000 0.000 0.257 1424 G HA3 0.236 4.196 3.960 0.000 0.000 0.257 1424 G C 1.467 176.382 174.900 0.025 0.000 1.010 1424 G CA 1.177 46.303 45.100 0.044 0.000 0.736 1424 G HN 2.472 nan 8.290 nan 0.000 0.513 1425 G N -1.359 107.449 108.800 0.012 0.000 2.162 1425 G HA2 -0.123 3.837 3.960 0.000 0.000 0.260 1425 G HA3 -0.123 3.837 3.960 0.000 0.000 0.260 1425 G C 1.467 176.358 174.900 -0.015 0.000 0.976 1425 G CA 1.687 46.781 45.100 -0.011 0.000 0.655 1425 G HN 1.952 nan 8.290 nan 0.000 0.533 1426 S N 0.034 115.752 115.700 0.029 0.000 2.370 1426 S HA -0.164 4.306 4.470 0.000 0.000 0.226 1426 S C 2.796 177.428 174.600 0.053 0.000 1.033 1426 S CA 2.765 61.015 58.200 0.083 0.000 1.011 1426 S CB -0.554 62.731 63.200 0.142 0.000 0.852 1426 S HN 1.321 nan 8.310 nan 0.000 0.457 1427 T N 0.108 114.682 114.554 0.033 0.000 2.595 1427 T HA -0.091 4.259 4.350 0.000 0.000 0.264 1427 T C 1.605 176.293 174.700 -0.021 0.000 1.058 1427 T CA 1.598 63.711 62.100 0.022 0.000 1.166 1427 T CB -1.022 67.855 68.868 0.014 0.000 0.863 1427 T HN 0.349 nan 8.240 nan 0.000 0.415 1428 E N 0.898 121.073 120.200 -0.042 0.000 2.171 1428 E HA -0.069 4.281 4.350 0.000 0.000 0.197 1428 E C 2.275 178.811 176.600 -0.107 0.000 0.997 1428 E CA 0.849 57.208 56.400 -0.068 0.000 0.810 1428 E CB -0.827 28.827 29.700 -0.076 0.000 0.738 1428 E HN 0.437 nan 8.360 nan 0.000 0.467 1429 V N 0.407 120.218 119.914 -0.172 0.000 2.379 1429 V HA -0.216 3.904 4.120 0.000 0.000 0.245 1429 V C 2.279 178.148 176.094 -0.375 0.000 1.044 1429 V CA 1.839 63.951 62.300 -0.314 0.000 1.036 1429 V CB -0.427 31.102 31.823 -0.491 0.000 0.664 1429 V HN 0.223 nan 8.190 nan 0.000 0.453 1430 E N 0.428 120.438 120.200 -0.315 0.000 2.085 1430 E HA -0.225 4.125 4.350 0.000 0.000 0.194 1430 E C 1.878 178.487 176.600 0.016 0.000 0.994 1430 E CA 1.473 57.876 56.400 0.005 0.000 0.801 1430 E CB -0.337 29.474 29.700 0.186 0.000 0.743 1430 E HN 0.364 nan 8.360 nan 0.000 0.453 1431 L N 0.581 121.799 121.223 -0.008 0.000 2.056 1431 L HA -0.108 4.232 4.340 0.000 0.000 0.207 1431 L C 2.555 179.444 176.870 0.032 0.000 1.078 1431 L CA 2.020 56.872 54.840 0.021 0.000 0.749 1431 L CB -1.154 40.922 42.059 0.030 0.000 0.901 1431 L HN 0.311 nan 8.230 nan 0.000 0.433 1432 S N -1.907 113.789 115.700 -0.007 0.000 2.423 1432 S HA -0.165 4.305 4.470 0.000 0.000 0.231 1432 S C 1.954 176.566 174.600 0.021 0.000 1.014 1432 S CA 0.839 59.042 58.200 0.005 0.000 0.965 1432 S CB -0.309 62.867 63.200 -0.040 0.000 0.785 1432 S HN 0.253 nan 8.310 nan 0.000 0.495 1433 M N 1.538 121.142 119.600 0.007 0.000 2.064 1433 M HA 0.065 4.545 4.480 0.000 0.000 0.260 1433 M C 2.180 178.518 176.300 0.065 0.000 1.073 1433 M CA 1.410 56.734 55.300 0.039 0.000 1.124 1433 M CB -0.935 31.703 32.600 0.062 0.000 1.326 1433 M HN 0.257 nan 8.290 nan 0.000 0.410 1434 K N 0.615 121.056 120.400 0.067 0.000 2.155 1434 K HA 0.065 4.385 4.320 0.000 0.000 0.203 1434 K C 2.023 178.688 176.600 0.108 0.000 1.052 1434 K CA 0.870 57.202 56.287 0.075 0.000 0.948 1434 K CB -0.482 32.048 32.500 0.050 0.000 0.728 1434 K HN 0.389 nan 8.250 nan 0.000 0.448 1435 L N 0.149 121.439 121.223 0.110 0.000 2.313 1435 L HA -0.030 4.310 4.340 0.000 0.000 0.214 1435 L C 2.384 179.376 176.870 0.203 0.000 1.119 1435 L CA 0.645 55.593 54.840 0.180 0.000 0.809 1435 L CB -0.184 41.981 42.059 0.177 0.000 0.933 1435 L HN 0.097 nan 8.230 nan 0.000 0.449 1436 R N 0.106 120.686 120.500 0.134 0.000 2.090 1436 R HA -0.124 4.216 4.340 0.000 0.000 0.228 1436 R C 2.052 178.407 176.300 0.092 0.000 1.110 1436 R CA 1.166 57.327 56.100 0.102 0.000 0.973 1436 R CB -0.076 30.266 30.300 0.070 0.000 0.869 1436 R HN 0.421 nan 8.270 nan 0.000 0.440 1437 E N -0.467 119.795 120.200 0.103 0.000 2.107 1437 E HA -0.194 4.156 4.350 0.000 0.000 0.191 1437 E C 1.548 178.214 176.600 0.110 0.000 0.982 1437 E CA 0.798 57.252 56.400 0.089 0.000 0.809 1437 E CB -0.087 29.664 29.700 0.085 0.000 0.756 1437 E HN 0.298 nan 8.360 nan 0.000 0.459 1438 Y N 1.584 121.898 120.300 0.023 0.000 2.224 1438 Y HA -0.227 4.323 4.550 -0.000 0.000 0.289 1438 Y C 2.181 178.091 175.900 0.017 0.000 1.146 1438 Y CA 1.289 59.399 58.100 0.017 0.000 1.182 1438 Y CB -0.424 38.044 38.460 0.014 0.000 0.983 1438 Y HN -0.011 nan 8.280 nan 0.000 0.524 1439 A N 0.379 123.192 122.820 -0.012 0.000 1.883 1439 A HA -0.187 4.133 4.320 0.000 0.000 0.217 1439 A C 2.131 179.657 177.584 -0.096 0.000 1.186 1439 A CA 1.911 53.905 52.037 -0.073 0.000 0.624 1439 A CB -0.635 18.388 19.000 0.039 0.000 0.822 1439 A HN 0.517 nan 8.150 nan 0.000 0.444 1440 E N -0.469 119.705 120.200 -0.044 0.000 2.110 1440 E HA -0.139 4.211 4.350 0.000 0.000 0.193 1440 E C 2.163 178.724 176.600 -0.066 0.000 0.988 1440 E CA 1.154 57.532 56.400 -0.037 0.000 0.804 1440 E CB -0.692 29.005 29.700 -0.006 0.000 0.745 1440 E HN 0.599 nan 8.360 nan 0.000 0.458 1441 G N 1.476 110.219 108.800 -0.094 0.000 2.402 1441 G HA2 -0.187 3.773 3.960 0.000 0.000 0.216 1441 G HA3 -0.187 3.773 3.960 0.000 0.000 0.216 1441 G C 1.607 176.412 174.900 -0.157 0.000 1.162 1441 G CA 0.339 45.375 45.100 -0.106 0.000 0.777 1441 G HN 0.116 nan 8.290 nan 0.000 0.539 1442 I N 0.339 120.751 120.570 -0.263 0.000 2.202 1442 I HA -0.011 4.160 4.170 0.000 0.000 0.242 1442 I C 1.706 177.742 176.117 -0.135 0.000 1.091 1442 I CA 1.136 62.286 61.300 -0.249 0.000 1.368 1442 I CB -1.168 36.620 38.000 -0.354 0.000 1.058 1442 I HN 0.324 nan 8.210 nan 0.000 0.410 1443 S N -1.228 114.406 115.700 -0.110 0.000 3.513 1443 S HA -0.104 4.366 4.470 0.000 0.000 0.636 1443 S C 0.714 175.281 174.600 -0.055 0.000 2.452 1443 S CA 1.397 59.558 58.200 -0.065 0.000 2.644 1443 S CB -1.362 61.807 63.200 -0.051 0.000 0.331 1443 S HN 1.474 nan 8.310 nan 0.000 1.787 1444 G N 0.746 109.523 108.800 -0.037 0.000 2.575 1444 G HA2 -0.260 3.700 3.960 0.000 0.000 0.267 1444 G HA3 -0.260 3.700 3.960 0.000 0.000 0.267 1444 G C 0.089 174.976 174.900 -0.023 0.000 1.264 1444 G CA 1.098 46.181 45.100 -0.029 0.000 0.935 1444 G HN 1.197 nan 8.290 nan 0.000 0.568 1445 R N 0.564 121.052 120.500 -0.019 0.000 2.240 1445 R HA 0.249 4.589 4.340 0.000 0.000 0.203 1445 R C 2.411 178.703 176.300 -0.013 0.000 1.011 1445 R CA 1.554 57.647 56.100 -0.012 0.000 1.007 1445 R CB -0.312 29.983 30.300 -0.008 0.000 0.911 1445 R HN 0.620 nan 8.270 nan 0.000 0.468 1446 E N 0.399 120.584 120.200 -0.024 0.000 2.153 1446 E HA -0.182 4.168 4.350 0.000 0.000 0.194 1446 E C 1.704 178.293 176.600 -0.017 0.000 0.988 1446 E CA 0.841 57.226 56.400 -0.025 0.000 0.811 1446 E CB -0.089 29.585 29.700 -0.043 0.000 0.746 1446 E HN 0.191 nan 8.360 nan 0.000 0.466 1447 Q N 0.574 120.357 119.800 -0.029 0.000 2.170 1447 Q HA -0.144 4.196 4.340 0.000 0.000 0.203 1447 Q C 1.988 178.003 176.000 0.024 0.000 0.976 1447 Q CA 1.092 56.883 55.803 -0.019 0.000 0.858 1447 Q CB -0.061 28.659 28.738 -0.030 0.000 0.907 1447 Q HN 0.385 nan 8.270 nan 0.000 0.433 1448 L N 0.039 121.276 121.223 0.024 0.000 2.056 1448 L HA -0.124 4.217 4.340 0.000 0.000 0.207 1448 L C 2.627 179.546 176.870 0.083 0.000 1.078 1448 L CA 1.145 56.011 54.840 0.043 0.000 0.749 1448 L CB -0.682 41.392 42.059 0.025 0.000 0.901 1448 L HN 0.155 nan 8.230 nan 0.000 0.433 1449 A N -0.388 122.476 122.820 0.073 0.000 1.898 1449 A HA -0.105 4.215 4.320 0.000 0.000 0.216 1449 A C 2.316 180.079 177.584 0.298 0.000 1.181 1449 A CA 1.448 53.558 52.037 0.122 0.000 0.620 1449 A CB -0.708 18.279 19.000 -0.022 0.000 0.819 1449 A HN 0.179 nan 8.150 nan 0.000 0.442 1450 V N 0.022 120.057 119.914 0.202 0.000 2.427 1450 V HA -0.202 3.918 4.120 0.000 0.000 0.248 1450 V C 2.651 178.895 176.094 0.249 0.000 1.051 1450 V CA 2.245 64.684 62.300 0.233 0.000 1.048 1450 V CB -0.786 31.123 31.823 0.144 0.000 0.666 1450 V HN 0.615 nan 8.190 nan 0.000 0.456 1451 R N 1.175 121.779 120.500 0.173 0.000 2.081 1451 R HA -0.079 4.261 4.340 0.000 0.000 0.235 1451 R C 2.146 178.537 176.300 0.151 0.000 1.131 1451 R CA 1.894 58.077 56.100 0.138 0.000 0.960 1451 R CB -0.930 29.422 30.300 0.088 0.000 0.856 1451 R HN 0.439 nan 8.270 nan 0.000 0.436 1452 A N -0.470 122.465 122.820 0.192 0.000 1.902 1452 A HA -0.126 4.195 4.320 0.000 0.000 0.217 1452 A C 2.177 179.859 177.584 0.163 0.000 1.181 1452 A CA 1.364 53.515 52.037 0.190 0.000 0.623 1452 A CB -0.850 18.309 19.000 0.264 0.000 0.818 1452 A HN 0.485 nan 8.150 nan 0.000 0.443 1453 F N 0.932 120.931 119.950 0.081 0.000 2.075 1453 F HA -0.091 4.436 4.527 0.000 0.000 0.297 1453 F C 2.558 178.310 175.800 -0.080 0.000 1.113 1453 F CA 1.494 59.414 58.000 -0.135 0.000 1.218 1453 F CB -0.345 38.594 39.000 -0.102 0.000 0.984 1453 F HN 0.250 nan 8.300 nan 0.000 0.472 1454 A N -0.142 122.818 122.820 0.233 0.000 1.940 1454 A HA -0.212 4.108 4.320 0.000 0.000 0.219 1454 A C 1.878 179.453 177.584 -0.014 0.000 1.176 1454 A CA 2.109 54.222 52.037 0.126 0.000 0.631 1454 A CB -0.952 18.143 19.000 0.158 0.000 0.814 1454 A HN 0.472 nan 8.150 nan 0.000 0.446 1455 D N -0.198 120.196 120.400 -0.010 0.000 2.183 1455 D HA 0.068 4.708 4.640 0.000 0.000 0.203 1455 D C 2.170 178.414 176.300 -0.093 0.000 0.969 1455 D CA 1.221 55.199 54.000 -0.036 0.000 0.842 1455 D CB -0.390 40.407 40.800 -0.004 0.000 0.957 1455 D HN 0.414 nan 8.370 nan 0.000 0.484 1456 A N 0.733 123.459 122.820 -0.156 0.000 1.972 1456 A HA -0.119 4.201 4.320 0.000 0.000 0.219 1456 A C 2.241 179.682 177.584 -0.239 0.000 1.169 1456 A CA 0.794 52.701 52.037 -0.216 0.000 0.635 1456 A CB -0.730 18.070 19.000 -0.333 0.000 0.810 1456 A HN 0.235 nan 8.150 nan 0.000 0.446 1457 L N -0.418 120.644 121.223 -0.269 0.000 2.265 1457 L HA -0.122 4.218 4.340 0.000 0.000 0.215 1457 L C 1.963 178.748 176.870 -0.142 0.000 1.117 1457 L CA 0.737 55.443 54.840 -0.223 0.000 0.782 1457 L CB -0.468 41.469 42.059 -0.203 0.000 0.914 1457 L HN 0.316 nan 8.230 nan 0.000 0.441 1458 E N -0.228 119.902 120.200 -0.117 0.000 2.478 1458 E HA -0.115 4.235 4.350 0.000 0.000 0.198 1458 E C 2.180 178.733 176.600 -0.079 0.000 1.046 1458 E CA 0.516 56.864 56.400 -0.088 0.000 0.870 1458 E CB -0.078 29.580 29.700 -0.070 0.000 0.818 1458 E HN 0.294 nan 8.360 nan 0.000 0.527 1459 V N 0.979 120.840 119.914 -0.090 0.000 2.594 1459 V HA -0.204 3.916 4.120 0.000 0.000 0.253 1459 V C 1.819 177.872 176.094 -0.068 0.000 1.069 1459 V CA 0.958 63.212 62.300 -0.076 0.000 1.082 1459 V CB -0.190 31.582 31.823 -0.084 0.000 0.680 1459 V HN 0.132 nan 8.190 nan 0.000 0.469 1460 I N 0.549 121.075 120.570 -0.073 0.000 2.235 1460 I HA -0.017 4.153 4.170 0.000 0.000 0.241 1460 I C 0.197 176.283 176.117 -0.052 0.000 1.085 1460 I CA 1.367 62.630 61.300 -0.062 0.000 1.378 1460 I CB -2.823 35.139 38.000 -0.064 0.000 1.076 1460 I HN 0.319 nan 8.210 nan 0.000 0.415 1461 P HA -0.170 nan 4.420 nan 0.000 0.216 1461 P C 1.850 179.124 177.300 -0.042 0.000 1.150 1461 P CA 1.573 64.646 63.100 -0.045 0.000 0.843 1461 P CB -0.163 31.508 31.700 -0.050 0.000 0.787 1462 R N -0.226 120.246 120.500 -0.046 0.000 2.073 1462 R HA -0.108 4.232 4.340 0.000 0.000 0.234 1462 R C 1.954 178.229 176.300 -0.041 0.000 1.134 1462 R CA 2.337 58.412 56.100 -0.042 0.000 0.952 1462 R CB -0.850 29.424 30.300 -0.043 0.000 0.850 1462 R HN 0.242 nan 8.270 nan 0.000 0.433 1463 T N -0.944 113.584 114.554 -0.044 0.000 3.043 1463 T HA -0.055 4.295 4.350 0.000 0.000 0.263 1463 T C 1.779 176.451 174.700 -0.046 0.000 1.094 1463 T CA 0.546 62.620 62.100 -0.044 0.000 1.127 1463 T CB -0.097 68.744 68.868 -0.044 0.000 0.905 1463 T HN 0.174 nan 8.240 nan 0.000 0.490 1464 L N 1.875 123.070 121.223 -0.047 0.000 2.027 1464 L HA 0.277 4.617 4.340 0.000 0.000 0.206 1464 L C 2.771 179.607 176.870 -0.056 0.000 1.074 1464 L CA 1.891 56.699 54.840 -0.052 0.000 0.745 1464 L CB -1.168 40.864 42.059 -0.046 0.000 0.898 1464 L HN 0.314 nan 8.230 nan 0.000 0.433 1465 A N -1.096 121.696 122.820 -0.046 0.000 1.929 1465 A HA -0.190 4.130 4.320 0.000 0.000 0.216 1465 A C 2.297 179.856 177.584 -0.043 0.000 1.176 1465 A CA 1.372 53.383 52.037 -0.044 0.000 0.628 1465 A CB -0.669 18.311 19.000 -0.033 0.000 0.816 1465 A HN 0.595 nan 8.150 nan 0.000 0.444 1466 E N 0.159 120.336 120.200 -0.040 0.000 2.038 1466 E HA -0.250 4.100 4.350 0.000 0.000 0.195 1466 E C 1.584 178.160 176.600 -0.040 0.000 1.000 1466 E CA 1.550 57.928 56.400 -0.036 0.000 0.803 1466 E CB -0.153 29.526 29.700 -0.034 0.000 0.750 1466 E HN 0.537 nan 8.360 nan 0.000 0.448 1467 N N 0.206 118.878 118.700 -0.046 0.000 2.309 1467 N HA -0.092 4.648 4.740 0.000 0.000 0.182 1467 N C 1.413 176.887 175.510 -0.060 0.000 1.018 1467 N CA 1.107 54.127 53.050 -0.050 0.000 0.876 1467 N CB -0.295 38.161 38.487 -0.053 0.000 0.972 1467 N HN 0.234 nan 8.380 nan 0.000 0.434 1468 A N 0.029 122.808 122.820 -0.069 0.000 2.119 1468 A HA 0.266 4.586 4.320 0.000 0.000 0.217 1468 A C 1.532 179.080 177.584 -0.061 0.000 1.153 1468 A CA 1.150 53.137 52.037 -0.082 0.000 0.692 1468 A CB -0.512 18.432 19.000 -0.094 0.000 0.799 1468 A HN 0.335 nan 8.150 nan 0.000 0.458 1469 G N -1.599 107.173 108.800 -0.047 0.000 2.137 1469 G HA2 -0.195 3.765 3.960 0.000 0.000 0.237 1469 G HA3 -0.195 3.765 3.960 0.000 0.000 0.237 1469 G C -0.021 174.861 174.900 -0.030 0.000 1.002 1469 G CA 0.351 45.430 45.100 -0.036 0.000 0.702 1469 G HN 0.459 nan 8.290 nan 0.000 0.515 1470 L N 0.073 121.277 121.223 -0.032 0.000 2.352 1470 L HA 0.478 4.818 4.340 0.000 0.000 0.269 1470 L C 0.476 177.333 176.870 -0.022 0.000 1.034 1470 L CA -1.109 53.715 54.840 -0.026 0.000 0.806 1470 L CB 0.964 43.006 42.059 -0.028 0.000 1.244 1470 L HN 0.090 nan 8.230 nan 0.000 0.447 1471 D N 1.111 121.501 120.400 -0.017 0.000 2.363 1471 D HA 0.060 4.700 4.640 0.000 0.000 0.263 1471 D C 0.785 177.075 176.300 -0.016 0.000 1.258 1471 D CA 0.222 54.213 54.000 -0.015 0.000 0.907 1471 D CB 1.715 42.509 40.800 -0.011 0.000 1.107 1471 D HN 0.649 nan 8.370 nan 0.000 0.495 1472 A N 5.419 128.228 122.820 -0.019 0.000 1.917 1472 A HA -0.205 4.115 4.320 0.000 0.000 0.219 1472 A C 2.107 179.680 177.584 -0.018 0.000 1.182 1472 A CA 0.971 52.996 52.037 -0.021 0.000 0.633 1472 A CB -0.209 18.777 19.000 -0.022 0.000 0.819 1472 A HN 0.704 nan 8.150 nan 0.000 0.448 1473 I N -0.329 120.232 120.570 -0.014 0.000 2.193 1473 I HA -0.105 4.065 4.170 0.000 0.000 0.240 1473 I C 2.378 178.490 176.117 -0.009 0.000 1.084 1473 I CA 1.135 62.428 61.300 -0.011 0.000 1.365 1473 I CB -1.614 36.381 38.000 -0.009 0.000 1.064 1473 I HN 0.310 nan 8.210 nan 0.000 0.410 1474 E N 0.717 120.912 120.200 -0.007 0.000 2.110 1474 E HA -0.145 4.205 4.350 0.000 0.000 0.193 1474 E C 2.303 178.902 176.600 -0.003 0.000 0.988 1474 E CA 0.916 57.314 56.400 -0.004 0.000 0.804 1474 E CB -0.085 29.613 29.700 -0.003 0.000 0.745 1474 E HN 0.347 nan 8.360 nan 0.000 0.458 1475 I N 0.605 121.172 120.570 -0.006 0.000 2.163 1475 I HA -0.225 3.945 4.170 0.000 0.000 0.240 1475 I C 2.326 178.440 176.117 -0.005 0.000 1.081 1475 I CA 0.779 62.076 61.300 -0.005 0.000 1.353 1475 I CB -0.956 37.038 38.000 -0.011 0.000 1.054 1475 I HN 0.119 nan 8.210 nan 0.000 0.407 1476 L N 0.109 121.326 121.223 -0.010 0.000 2.083 1476 L HA -0.151 4.189 4.340 0.000 0.000 0.209 1476 L C 2.548 179.414 176.870 -0.007 0.000 1.083 1476 L CA 1.313 56.145 54.840 -0.014 0.000 0.752 1476 L CB -0.982 41.065 42.059 -0.020 0.000 0.899 1476 L HN 0.001 nan 8.230 nan 0.000 0.433 1477 V N -1.228 118.684 119.914 -0.003 0.000 2.323 1477 V HA -0.223 3.898 4.120 0.000 0.000 0.244 1477 V C 2.504 178.604 176.094 0.010 0.000 1.041 1477 V CA 1.318 63.620 62.300 0.003 0.000 1.025 1477 V CB -0.381 31.444 31.823 0.003 0.000 0.656 1477 V HN 0.285 nan 8.190 nan 0.000 0.451 1478 K N -0.081 120.325 120.400 0.010 0.000 2.148 1478 K HA -0.050 4.270 4.320 0.000 0.000 0.204 1478 K C 1.887 178.503 176.600 0.026 0.000 1.050 1478 K CA 0.953 57.250 56.287 0.016 0.000 0.942 1478 K CB -0.529 31.978 32.500 0.013 0.000 0.724 1478 K HN 0.305 nan 8.250 nan 0.000 0.446 1479 V N 0.550 120.479 119.914 0.025 0.000 2.323 1479 V HA -0.169 3.951 4.120 0.000 0.000 0.244 1479 V C 2.139 178.271 176.094 0.063 0.000 1.041 1479 V CA 1.536 63.860 62.300 0.040 0.000 1.025 1479 V CB -0.305 31.532 31.823 0.023 0.000 0.656 1479 V HN 0.244 nan 8.190 nan 0.000 0.451 1480 R N 0.090 120.611 120.500 0.035 0.000 2.096 1480 R HA -0.103 4.237 4.340 0.000 0.000 0.235 1480 R C 2.418 178.764 176.300 0.077 0.000 1.127 1480 R CA 1.423 57.547 56.100 0.040 0.000 0.968 1480 R CB -0.546 29.755 30.300 0.001 0.000 0.861 1480 R HN 0.535 nan 8.270 nan 0.000 0.440 1481 A N 1.249 124.100 122.820 0.052 0.000 1.877 1481 A HA -0.100 4.220 4.320 0.000 0.000 0.216 1481 A C 2.364 179.979 177.584 0.053 0.000 1.186 1481 A CA 1.673 53.738 52.037 0.046 0.000 0.620 1481 A CB -0.586 18.431 19.000 0.029 0.000 0.822 1481 A HN 0.387 nan 8.150 nan 0.000 0.443 1482 A N -1.204 121.650 122.820 0.056 0.000 1.930 1482 A HA -0.143 4.177 4.320 0.000 0.000 0.217 1482 A C 1.991 179.607 177.584 0.053 0.000 1.175 1482 A CA 2.009 54.074 52.037 0.046 0.000 0.627 1482 A CB -0.832 18.194 19.000 0.044 0.000 0.815 1482 A HN 0.773 nan 8.150 nan 0.000 0.443 1483 H N -0.248 118.826 119.070 0.006 0.000 2.321 1483 H HA 0.045 4.601 4.556 0.000 0.000 0.300 1483 H C 2.206 177.539 175.328 0.008 0.000 1.087 1483 H CA 1.976 58.028 56.048 0.007 0.000 1.319 1483 H CB -0.135 29.631 29.762 0.006 0.000 1.379 1483 H HN 0.400 nan 8.280 nan 0.000 0.501 1484 A N -0.785 122.123 122.820 0.147 0.000 1.930 1484 A HA -0.142 4.178 4.320 0.000 0.000 0.217 1484 A C 2.529 180.124 177.584 0.019 0.000 1.175 1484 A CA 1.755 53.846 52.037 0.090 0.000 0.627 1484 A CB -0.907 18.148 19.000 0.091 0.000 0.815 1484 A HN 0.497 nan 8.150 nan 0.000 0.443 1485 S N -0.414 115.293 115.700 0.011 0.000 2.341 1485 S HA -0.088 4.382 4.470 0.000 0.000 0.216 1485 S C 1.857 176.442 174.600 -0.025 0.000 1.034 1485 S CA 1.255 59.453 58.200 -0.002 0.000 0.964 1485 S CB -0.348 62.855 63.200 0.006 0.000 0.882 1485 S HN 0.609 nan 8.310 nan 0.000 0.469 1486 N N 0.736 119.413 118.700 -0.039 0.000 2.368 1486 N HA 0.291 5.031 4.740 0.000 0.000 0.176 1486 N C 1.011 176.463 175.510 -0.097 0.000 1.021 1486 N CA 1.004 54.022 53.050 -0.053 0.000 0.888 1486 N CB 0.228 38.691 38.487 -0.039 0.000 0.995 1486 N HN 0.599 nan 8.380 nan 0.000 0.437 1487 G N 0.761 109.451 108.800 -0.183 0.000 2.373 1487 G HA2 -0.204 3.756 3.960 0.000 0.000 0.634 1487 G HA3 -0.204 3.756 3.960 0.000 0.000 0.634 1487 G C -0.198 174.412 174.900 -0.483 0.000 1.267 1487 G CA 0.008 44.929 45.100 -0.298 0.000 1.008 1487 G HN 0.320 nan 8.290 nan 0.000 0.497 1488 N N -0.715 117.734 118.700 -0.418 0.000 2.412 1488 N HA 0.121 4.861 4.740 0.000 0.000 0.184 1488 N C 1.272 176.748 175.510 -0.057 0.000 1.101 1488 N CA 1.040 53.949 53.050 -0.236 0.000 0.881 1488 N CB 0.327 38.807 38.487 -0.011 0.000 0.969 1488 N HN 0.368 nan 8.380 nan 0.000 0.459 1489 K N -0.287 120.070 120.400 -0.072 0.000 2.358 1489 K HA 0.286 4.606 4.320 0.000 0.000 0.200 1489 K C -0.421 176.160 176.600 -0.031 0.000 1.030 1489 K CA -0.008 56.260 56.287 -0.032 0.000 1.097 1489 K CB 0.310 32.794 32.500 -0.027 0.000 0.862 1489 K HN 0.203 nan 8.250 nan 0.000 0.534 1490 C N 1.185 120.455 119.300 -0.051 0.000 3.206 1490 C HA 0.724 5.184 4.460 0.000 0.000 0.206 1490 C C 0.501 175.477 174.990 -0.024 0.000 1.836 1490 C CA -0.714 58.283 59.018 -0.035 0.000 1.382 1490 C CB -0.604 27.108 27.740 -0.047 0.000 2.405 1490 C HN 0.424 nan 8.230 nan 0.000 0.516 1491 A N 0.058 122.882 122.820 0.007 0.000 3.963 1491 A HA 0.966 5.286 4.320 0.000 0.000 0.283 1491 A C 0.048 177.675 177.584 0.071 0.000 1.085 1491 A CA 0.332 52.400 52.037 0.053 0.000 0.591 1491 A CB -0.171 18.887 19.000 0.095 0.000 1.632 1491 A HN 2.013 nan 8.150 nan 0.000 0.761 1492 G N -2.004 106.856 108.800 0.100 0.000 2.787 1492 G HA2 0.359 4.319 3.960 0.000 0.000 0.685 1492 G HA3 0.359 4.319 3.960 0.000 0.000 0.685 1492 G C -0.699 174.233 174.900 0.054 0.000 1.437 1492 G CA -0.016 45.128 45.100 0.073 0.000 0.872 1492 G HN 2.092 nan 8.290 nan 0.000 0.566 1493 L N 1.032 122.280 121.223 0.042 0.000 2.276 1493 L HA 0.600 4.940 4.340 0.000 0.000 0.286 1493 L C 0.592 177.495 176.870 0.054 0.000 1.061 1493 L CA -0.667 54.194 54.840 0.034 0.000 0.807 1493 L CB 1.271 43.337 42.059 0.011 0.000 1.177 1493 L HN 0.698 nan 8.230 nan 0.000 0.429 1494 N N 4.233 122.973 118.700 0.066 0.000 2.699 1494 N HA 0.109 4.849 4.740 0.000 0.000 0.232 1494 N C 0.924 176.484 175.510 0.082 0.000 1.027 1494 N CA -0.128 52.994 53.050 0.119 0.000 0.920 1494 N CB 1.137 39.702 38.487 0.128 0.000 1.148 1494 N HN 0.703 nan 8.380 nan 0.000 0.509 1495 V N 1.620 121.538 119.914 0.007 0.000 2.913 1495 V HA -0.075 4.045 4.120 0.000 0.000 0.260 1495 V C 1.514 177.524 176.094 -0.140 0.000 1.098 1495 V CA 1.013 63.248 62.300 -0.110 0.000 1.121 1495 V CB -1.132 30.560 31.823 -0.220 0.000 0.714 1495 V HN 0.408 nan 8.190 nan 0.000 0.487 1496 F N 2.697 122.646 119.950 -0.001 0.000 2.134 1496 F HA -0.097 4.430 4.527 0.000 0.000 0.299 1496 F C 2.772 178.571 175.800 -0.001 0.000 1.097 1496 F CA 2.154 60.153 58.000 -0.001 0.000 1.264 1496 F CB -0.654 38.346 39.000 -0.001 0.000 1.001 1496 F HN 0.385 nan 8.300 nan 0.000 0.479 1497 T N -3.698 110.964 114.554 0.181 0.000 3.044 1497 T HA 0.373 4.723 4.350 0.000 0.000 0.250 1497 T C 1.496 176.227 174.700 0.051 0.000 1.081 1497 T CA 0.417 62.573 62.100 0.095 0.000 1.040 1497 T CB 0.181 69.095 68.868 0.077 0.000 0.962 1497 T HN 0.427 nan 8.240 nan 0.000 0.506 1498 G N 0.959 109.781 108.800 0.037 0.000 2.248 1498 G HA2 0.248 4.208 3.960 0.000 0.000 0.263 1498 G HA3 0.248 4.208 3.960 0.000 0.000 0.263 1498 G C 0.054 174.961 174.900 0.012 0.000 1.082 1498 G CA -0.227 44.877 45.100 0.007 0.000 0.863 1498 G HN 1.396 nan 8.290 nan 0.000 0.495 1499 A N -1.637 121.197 122.820 0.023 0.000 2.612 1499 A HA 0.891 5.211 4.320 0.000 0.000 0.293 1499 A C 0.040 177.641 177.584 0.029 0.000 1.075 1499 A CA 0.121 52.171 52.037 0.022 0.000 0.680 1499 A CB 1.531 20.544 19.000 0.023 0.000 1.279 1499 A HN 1.805 nan 8.150 nan 0.000 0.411 1500 V N 1.674 121.602 119.914 0.025 0.000 2.673 1500 V HA 0.434 4.554 4.120 0.000 0.000 0.303 1500 V C -0.043 176.071 176.094 0.032 0.000 1.046 1500 V CA 0.954 63.272 62.300 0.030 0.000 1.126 1500 V CB 0.457 32.298 31.823 0.029 0.000 0.934 1500 V HN 0.918 nan 8.190 nan 0.000 0.487 1501 E N 3.865 124.088 120.200 0.038 0.000 2.390 1501 E HA 0.383 4.733 4.350 0.000 0.000 0.242 1501 E C -1.478 175.140 176.600 0.031 0.000 0.907 1501 E CA -0.668 55.752 56.400 0.033 0.000 0.884 1501 E CB 0.845 30.569 29.700 0.040 0.000 1.788 1501 E HN 0.720 nan 8.360 nan 0.000 0.427 1502 D N 1.313 121.727 120.400 0.024 0.000 2.460 1502 D HA 0.186 4.826 4.640 0.000 0.000 0.232 1502 D C 0.799 177.111 176.300 0.020 0.000 1.079 1502 D CA -0.279 53.731 54.000 0.017 0.000 0.864 1502 D CB 0.677 41.480 40.800 0.006 0.000 1.048 1502 D HN 0.186 nan 8.370 nan 0.000 0.523 1503 M N 1.829 121.446 119.600 0.029 0.000 2.132 1503 M HA -0.120 4.360 4.480 0.000 0.000 0.263 1503 M C 2.339 178.649 176.300 0.017 0.000 1.065 1503 M CA 0.697 56.016 55.300 0.031 0.000 1.122 1503 M CB -1.200 31.425 32.600 0.043 0.000 1.365 1503 M HN 0.554 nan 8.290 nan 0.000 0.411 1504 C N 0.765 120.073 119.300 0.013 0.000 2.436 1504 C HA -0.186 4.274 4.460 0.000 0.000 0.277 1504 C C 2.686 177.675 174.990 -0.001 0.000 1.241 1504 C CA 1.690 60.711 59.018 0.005 0.000 1.721 1504 C CB -0.863 26.878 27.740 0.001 0.000 2.043 1504 C HN 0.582 nan 8.230 nan 0.000 0.472 1505 E N 1.068 121.267 120.200 -0.002 0.000 2.150 1505 E HA -0.108 4.242 4.350 0.000 0.000 0.193 1505 E C 1.658 178.253 176.600 -0.009 0.000 0.985 1505 E CA 1.370 57.767 56.400 -0.006 0.000 0.814 1505 E CB -0.467 29.229 29.700 -0.005 0.000 0.752 1505 E HN 0.645 nan 8.360 nan 0.000 0.466 1506 N N -0.228 118.468 118.700 -0.007 0.000 2.521 1506 N HA 0.035 4.775 4.740 0.000 0.000 0.188 1506 N C 0.661 176.155 175.510 -0.026 0.000 1.146 1506 N CA 0.963 54.002 53.050 -0.017 0.000 0.893 1506 N CB 0.470 38.950 38.487 -0.011 0.000 0.975 1506 N HN 0.306 nan 8.380 nan 0.000 0.451 1507 G N -0.134 108.655 108.800 -0.018 0.000 2.153 1507 G HA2 -0.264 3.696 3.960 0.000 0.000 0.252 1507 G HA3 -0.264 3.696 3.960 0.000 0.000 0.252 1507 G C -0.089 174.801 174.900 -0.017 0.000 0.994 1507 G CA 0.200 45.288 45.100 -0.019 0.000 0.698 1507 G HN 0.202 nan 8.290 nan 0.000 0.521 1508 V N 1.440 121.351 119.914 -0.006 0.000 2.267 1508 V HA 0.515 4.635 4.120 0.000 0.000 0.254 1508 V C 0.750 176.853 176.094 0.016 0.000 1.144 1508 V CA 0.077 62.382 62.300 0.008 0.000 0.992 1508 V CB 0.550 32.391 31.823 0.029 0.000 1.199 1508 V HN 1.035 nan 8.190 nan 0.000 0.493 1509 V N 1.795 121.716 119.914 0.011 0.000 3.007 1509 V HA 0.911 5.031 4.120 0.000 0.000 0.311 1509 V C -0.697 175.404 176.094 0.012 0.000 1.120 1509 V CA -0.743 61.565 62.300 0.012 0.000 0.980 1509 V CB 2.509 34.336 31.823 0.007 0.000 1.033 1509 V HN 0.688 nan 8.190 nan 0.000 0.429 1510 E N 1.720 121.928 120.200 0.012 0.000 2.393 1510 E HA 0.646 4.996 4.350 0.000 0.000 0.273 1510 E C -3.273 173.332 176.600 0.008 0.000 0.918 1510 E CA -2.368 54.038 56.400 0.011 0.000 0.773 1510 E CB 2.051 31.759 29.700 0.013 0.000 1.275 1510 E HN 0.457 nan 8.360 nan 0.000 0.451 1511 P HA -0.020 nan 4.420 nan 0.000 0.266 1511 P C 0.804 178.107 177.300 0.005 0.000 1.195 1511 P CA -0.258 62.845 63.100 0.005 0.000 0.768 1511 P CB 0.452 32.154 31.700 0.003 0.000 0.838 1512 L N 4.440 125.666 121.223 0.005 0.000 2.046 1512 L HA -0.134 4.206 4.340 0.000 0.000 0.208 1512 L C 2.401 179.274 176.870 0.005 0.000 1.077 1512 L CA 1.790 56.633 54.840 0.005 0.000 0.747 1512 L CB -0.848 41.214 42.059 0.004 0.000 0.896 1512 L HN 0.294 nan 8.230 nan 0.000 0.432 1513 R N -0.970 119.532 120.500 0.004 0.000 2.117 1513 R HA -0.177 4.163 4.340 0.000 0.000 0.243 1513 R C 2.025 178.327 176.300 0.004 0.000 1.143 1513 R CA 1.989 58.091 56.100 0.003 0.000 0.968 1513 R CB -0.399 29.903 30.300 0.003 0.000 0.863 1513 R HN 0.378 nan 8.270 nan 0.000 0.444 1514 V N 1.286 121.202 119.914 0.004 0.000 2.332 1514 V HA -0.254 3.866 4.120 0.000 0.000 0.248 1514 V C 2.285 178.380 176.094 0.002 0.000 1.055 1514 V CA 1.850 64.152 62.300 0.003 0.000 1.038 1514 V CB -0.347 31.478 31.823 0.003 0.000 0.651 1514 V HN 0.309 nan 8.190 nan 0.000 0.450 1515 K N 0.233 120.635 120.400 0.003 0.000 2.186 1515 K HA -0.035 4.285 4.320 0.000 0.000 0.202 1515 K C 2.262 178.866 176.600 0.007 0.000 1.052 1515 K CA 1.653 57.942 56.287 0.003 0.000 0.965 1515 K CB -0.674 31.828 32.500 0.005 0.000 0.746 1515 K HN 0.718 nan 8.250 nan 0.000 0.457 1516 T N -1.214 113.344 114.554 0.008 0.000 2.978 1516 T HA -0.082 4.268 4.350 0.000 0.000 0.262 1516 T C 2.016 176.723 174.700 0.012 0.000 1.063 1516 T CA 0.696 62.803 62.100 0.010 0.000 1.140 1516 T CB 0.038 68.910 68.868 0.007 0.000 0.886 1516 T HN -0.047 nan 8.240 nan 0.000 0.470 1517 Q N 1.825 121.631 119.800 0.009 0.000 2.123 1517 Q HA 0.261 4.602 4.340 0.000 0.000 0.199 1517 Q C 2.408 178.415 176.000 0.011 0.000 0.966 1517 Q CA 1.606 57.415 55.803 0.009 0.000 0.845 1517 Q CB -0.924 27.818 28.738 0.006 0.000 0.907 1517 Q HN 0.623 nan 8.270 nan 0.000 0.439 1518 A N 0.573 123.397 122.820 0.007 0.000 1.883 1518 A HA -0.174 4.146 4.320 0.000 0.000 0.217 1518 A C 1.952 179.543 177.584 0.011 0.000 1.186 1518 A CA 1.588 53.627 52.037 0.002 0.000 0.624 1518 A CB -0.749 18.246 19.000 -0.008 0.000 0.822 1518 A HN 0.451 nan 8.150 nan 0.000 0.444 1519 I N -0.135 120.451 120.570 0.025 0.000 2.179 1519 I HA -0.263 3.907 4.170 0.000 0.000 0.242 1519 I C 2.660 178.819 176.117 0.069 0.000 1.088 1519 I CA 1.659 62.997 61.300 0.063 0.000 1.357 1519 I CB -1.633 36.413 38.000 0.077 0.000 1.051 1519 I HN 0.493 nan 8.210 nan 0.000 0.409 1520 Q N 0.202 120.028 119.800 0.043 0.000 1.993 1520 Q HA -0.165 4.176 4.340 0.000 0.000 0.202 1520 Q C 2.464 178.488 176.000 0.040 0.000 0.984 1520 Q CA 2.203 58.028 55.803 0.037 0.000 0.837 1520 Q CB -0.168 28.584 28.738 0.023 0.000 0.902 1520 Q HN 0.376 nan 8.270 nan 0.000 0.423 1521 S N 0.504 116.222 115.700 0.030 0.000 2.383 1521 S HA -0.131 4.340 4.470 0.000 0.000 0.227 1521 S C 1.986 176.604 174.600 0.031 0.000 1.026 1521 S CA 0.928 59.144 58.200 0.027 0.000 0.981 1521 S CB -0.263 62.947 63.200 0.017 0.000 0.818 1521 S HN 0.477 nan 8.310 nan 0.000 0.472 1522 A N 1.630 124.467 122.820 0.028 0.000 1.873 1522 A HA 0.155 4.475 4.320 0.000 0.000 0.215 1522 A C 2.363 179.978 177.584 0.051 0.000 1.186 1522 A CA 1.648 53.698 52.037 0.022 0.000 0.616 1522 A CB -1.135 17.861 19.000 -0.007 0.000 0.823 1522 A HN 0.505 nan 8.150 nan 0.000 0.442 1523 A N -0.528 122.345 122.820 0.090 0.000 1.898 1523 A HA -0.119 4.201 4.320 0.000 0.000 0.216 1523 A C 1.943 179.602 177.584 0.125 0.000 1.181 1523 A CA 1.674 53.801 52.037 0.150 0.000 0.620 1523 A CB -0.369 18.747 19.000 0.195 0.000 0.819 1523 A HN 0.453 nan 8.150 nan 0.000 0.442 1524 E N 0.134 120.385 120.200 0.085 0.000 2.107 1524 E HA -0.055 4.295 4.350 0.000 0.000 0.191 1524 E C 2.242 178.881 176.600 0.065 0.000 0.982 1524 E CA 1.241 57.683 56.400 0.070 0.000 0.809 1524 E CB -0.421 29.308 29.700 0.049 0.000 0.756 1524 E HN 0.538 nan 8.360 nan 0.000 0.459 1525 S N 0.426 116.161 115.700 0.057 0.000 2.406 1525 S HA -0.055 4.415 4.470 0.000 0.000 0.228 1525 S C 2.039 176.674 174.600 0.060 0.000 1.020 1525 S CA 1.067 59.296 58.200 0.049 0.000 0.965 1525 S CB -0.108 63.113 63.200 0.036 0.000 0.798 1525 S HN 0.255 nan 8.310 nan 0.000 0.488 1526 T N 1.847 116.448 114.554 0.078 0.000 2.777 1526 T HA -0.085 4.265 4.350 0.000 0.000 0.266 1526 T C 1.847 176.624 174.700 0.128 0.000 1.040 1526 T CA 1.045 63.206 62.100 0.103 0.000 1.141 1526 T CB -0.252 68.694 68.868 0.130 0.000 0.868 1526 T HN 0.356 nan 8.240 nan 0.000 0.444 1527 E N 0.965 121.248 120.200 0.138 0.000 2.110 1527 E HA -0.155 4.195 4.350 0.000 0.000 0.193 1527 E C 2.167 178.812 176.600 0.074 0.000 0.988 1527 E CA 0.870 57.339 56.400 0.115 0.000 0.804 1527 E CB -0.268 29.496 29.700 0.107 0.000 0.745 1527 E HN 0.331 nan 8.360 nan 0.000 0.458 1528 M N 0.936 120.575 119.600 0.065 0.000 2.067 1528 M HA -0.163 4.317 4.480 0.000 0.000 0.260 1528 M C 2.495 178.824 176.300 0.049 0.000 1.069 1528 M CA 1.144 56.475 55.300 0.051 0.000 1.117 1528 M CB -0.861 31.766 32.600 0.046 0.000 1.334 1528 M HN 0.276 nan 8.290 nan 0.000 0.407 1529 L N 0.675 121.929 121.223 0.052 0.000 2.013 1529 L HA -0.264 4.076 4.340 0.000 0.000 0.212 1529 L C 2.284 179.180 176.870 0.043 0.000 1.073 1529 L CA 1.460 56.328 54.840 0.048 0.000 0.753 1529 L CB -0.393 41.692 42.059 0.044 0.000 0.890 1529 L HN 0.355 nan 8.230 nan 0.000 0.432 1530 L N -0.642 120.610 121.223 0.049 0.000 2.201 1530 L HA -0.191 4.149 4.340 0.000 0.000 0.212 1530 L C 2.720 179.603 176.870 0.021 0.000 1.105 1530 L CA 0.914 55.773 54.840 0.033 0.000 0.775 1530 L CB -0.523 41.561 42.059 0.042 0.000 0.913 1530 L HN 0.315 nan 8.230 nan 0.000 0.440 1531 R N 0.190 120.708 120.500 0.031 0.000 2.193 1531 R HA -0.017 4.323 4.340 0.000 0.000 0.213 1531 R C 0.628 176.945 176.300 0.028 0.000 1.055 1531 R CA 0.276 56.394 56.100 0.029 0.000 0.995 1531 R CB 0.305 30.626 30.300 0.034 0.000 0.893 1531 R HN 0.104 nan 8.270 nan 0.000 0.459 1532 I N 3.086 123.675 120.570 0.033 0.000 2.471 1532 I HA -0.022 4.148 4.170 0.000 0.000 0.286 1532 I C 0.188 176.326 176.117 0.035 0.000 1.079 1532 I CA 0.309 61.631 61.300 0.037 0.000 1.398 1532 I CB 1.123 39.151 38.000 0.047 0.000 1.403 1532 I HN 0.219 nan 8.210 nan 0.000 0.530 1533 D N 2.694 123.115 120.400 0.034 0.000 2.540 1533 D HA 0.152 4.792 4.640 0.000 0.000 0.229 1533 D C -0.207 176.119 176.300 0.045 0.000 1.250 1533 D CA -0.137 53.882 54.000 0.033 0.000 0.817 1533 D CB 0.461 41.272 40.800 0.018 0.000 1.060 1533 D HN 0.360 nan 8.370 nan 0.000 0.508 1534 D N 0.209 120.639 120.400 0.050 0.000 2.738 1534 D HA 0.265 4.905 4.640 0.000 0.000 0.218 1534 D C -1.648 174.685 176.300 0.054 0.000 1.345 1534 D CA -0.440 53.591 54.000 0.051 0.000 0.943 1534 D CB 1.997 42.815 40.800 0.031 0.000 1.514 1534 D HN -0.163 nan 8.370 nan 0.000 0.585 1535 V N 4.354 124.313 119.914 0.075 0.000 2.444 1535 V HA 0.554 4.674 4.120 0.000 0.000 0.294 1535 V C -0.134 175.975 176.094 0.025 0.000 1.022 1535 V CA -0.666 61.673 62.300 0.065 0.000 0.850 1535 V CB 1.544 33.432 31.823 0.108 0.000 0.992 1535 V HN 0.416 nan 8.190 nan 0.000 0.426 1536 I N 4.219 124.786 120.570 -0.005 0.000 2.382 1536 I HA 0.681 4.851 4.170 0.000 0.000 0.285 1536 I C 0.368 176.461 176.117 -0.040 0.000 1.007 1536 I CA -0.248 61.030 61.300 -0.037 0.000 1.142 1536 I CB 1.834 39.816 38.000 -0.031 0.000 1.289 1536 I HN 0.645 nan 8.210 nan 0.000 0.453 1537 A N 5.395 128.179 122.820 -0.061 0.000 2.394 1537 A HA 0.862 5.182 4.320 0.000 0.000 0.333 1537 A C 0.342 177.896 177.584 -0.049 0.000 1.397 1537 A CA -0.558 51.447 52.037 -0.053 0.000 0.884 1537 A CB 0.223 19.183 19.000 -0.067 0.000 1.147 1537 A HN 0.752 nan 8.150 nan 0.000 0.505 1538 A N 2.009 124.808 122.820 -0.035 0.000 2.425 1538 A HA 0.501 4.821 4.320 0.000 0.000 0.242 1538 A C 0.584 178.155 177.584 -0.022 0.000 1.077 1538 A CA -0.067 51.952 52.037 -0.029 0.000 0.781 1538 A CB 0.115 19.103 19.000 -0.021 0.000 1.020 1538 A HN 0.860 nan 8.150 nan 0.000 0.494 1539 E N 0.000 120.188 120.200 -0.020 0.000 2.725 1539 E HA 0.000 4.350 4.350 0.000 0.000 0.291 1539 E CA 0.000 56.392 56.400 -0.013 0.000 0.976 1539 E CB 0.000 29.692 29.700 -0.012 0.000 0.812 1539 E HN 0.000 nan 8.360 nan 0.000 0.440