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 3aeh_1_A DATA FIRST_RESID 1072 DATA SEQUENCE GTMARNDGQG KAAATFMHIS YNNFITEVDN LNKRMGDLRD INGEAGTWVR DATA SEQUENCE LLNGSGSADG GFTDHYTLLQ MGADRKHELG SMDLFTGVMA TYTDTDASAD DATA SEQUENCE LYSGKTKSWG GGFYASGLFR SGAYFDVIAK YIHNENKYDL NFAGAGKQNF DATA SEQUENCE RSHSLYAGAE VGYRYHLTDT TFVEPQAELV WGRLQGQXXX XXXXXXXXXX DATA SEQUENCE XXNSVNPLVG RTGVVSGKTF SGKDWSLTAR AGLHYEFDLT DSXXXXXXXX DATA SEQUENCE XXXXXXXXRK DSRMLYGVGL NARFGDNTRL GLEVERSAFG KYNTDDAINA DATA SEQUENCE NIRYSFLE 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 1072 G HA2 0.000 nan 3.960 nan 0.000 0.244 1072 G HA3 0.000 3.950 3.960 -0.016 0.000 0.244 1072 G C 0.000 174.907 174.900 0.011 0.000 0.946 1072 G CA 0.000 45.107 45.100 0.012 0.000 0.502 1073 T N 0.973 115.531 114.554 0.007 0.000 2.720 1073 T HA -0.147 4.193 4.350 -0.016 0.000 0.268 1073 T C 2.591 177.293 174.700 0.004 0.000 1.037 1073 T CA 2.277 64.379 62.100 0.004 0.000 1.144 1073 T CB -0.322 68.546 68.868 0.001 0.000 0.864 1073 T HN 0.350 nan 8.240 nan 0.000 0.444 1074 M N 0.707 120.309 119.600 0.005 0.000 2.175 1074 M HA 0.036 4.506 4.480 -0.016 0.000 0.264 1074 M C 2.824 179.128 176.300 0.007 0.000 1.063 1074 M CA 1.357 56.659 55.300 0.003 0.000 1.119 1074 M CB -0.407 32.195 32.600 0.003 0.000 1.377 1074 M HN 0.281 nan 8.290 nan 0.000 0.415 1075 A N 0.513 123.342 122.820 0.015 0.000 1.930 1075 A HA -0.109 4.201 4.320 -0.016 0.000 0.217 1075 A C 2.199 179.803 177.584 0.033 0.000 1.175 1075 A CA 1.326 53.379 52.037 0.027 0.000 0.627 1075 A CB -0.520 18.500 19.000 0.033 0.000 0.815 1075 A HN 0.401 nan 8.150 nan 0.000 0.443 1076 R N -0.435 120.080 120.500 0.024 0.000 2.092 1076 R HA -0.076 4.254 4.340 -0.016 0.000 0.231 1076 R C 1.664 177.971 176.300 0.012 0.000 1.119 1076 R CA 1.302 57.416 56.100 0.024 0.000 0.970 1076 R CB -0.296 30.012 30.300 0.013 0.000 0.864 1076 R HN 0.492 nan 8.270 nan 0.000 0.440 1077 N N 0.891 119.591 118.700 0.000 0.000 2.142 1077 N HA -0.165 4.566 4.740 -0.016 0.000 0.186 1077 N C 1.339 176.836 175.510 -0.022 0.000 1.023 1077 N CA 1.396 54.437 53.050 -0.015 0.000 0.852 1077 N CB -0.445 38.032 38.487 -0.017 0.000 0.998 1077 N HN 0.245 nan 8.380 nan 0.000 0.424 1078 D N -0.069 120.322 120.400 -0.015 0.000 2.092 1078 D HA -0.090 4.541 4.640 -0.016 0.000 0.193 1078 D C 2.013 178.285 176.300 -0.047 0.000 0.994 1078 D CA 1.690 55.669 54.000 -0.034 0.000 0.828 1078 D CB -0.521 40.269 40.800 -0.017 0.000 0.963 1078 D HN 0.250 nan 8.370 nan 0.000 0.450 1079 G N -0.288 108.530 108.800 0.029 0.000 2.513 1079 G HA2 -0.376 3.575 3.960 -0.016 0.000 0.219 1079 G HA3 -0.376 3.575 3.960 -0.016 0.000 0.219 1079 G C 1.623 176.583 174.900 0.101 0.000 1.160 1079 G CA 1.078 46.264 45.100 0.144 0.000 0.767 1079 G HN 0.373 nan 8.290 nan 0.000 0.571 1080 Q N -0.118 119.691 119.800 0.015 0.000 2.084 1080 Q HA -0.056 4.274 4.340 -0.016 0.000 0.202 1080 Q C 2.916 178.858 176.000 -0.096 0.000 0.978 1080 Q CA 1.128 56.904 55.803 -0.046 0.000 0.844 1080 Q CB -0.450 28.255 28.738 -0.055 0.000 0.898 1080 Q HN 0.478 nan 8.270 nan 0.000 0.426 1081 G N 1.259 110.001 108.800 -0.096 0.000 2.421 1081 G HA2 -0.266 3.685 3.960 -0.016 0.000 0.216 1081 G HA3 -0.266 3.685 3.960 -0.016 0.000 0.216 1081 G C 1.301 176.099 174.900 -0.170 0.000 1.171 1081 G CA 0.774 45.801 45.100 -0.122 0.000 0.775 1081 G HN 0.209 nan 8.290 nan 0.000 0.543 1082 K N 0.470 120.723 120.400 -0.245 0.000 2.097 1082 K HA 0.106 4.417 4.320 -0.016 0.000 0.205 1082 K C 2.946 179.400 176.600 -0.242 0.000 1.050 1082 K CA 0.851 56.875 56.287 -0.438 0.000 0.938 1082 K CB -0.164 31.680 32.500 -1.093 0.000 0.718 1082 K HN 0.273 nan 8.250 nan 0.000 0.442 1083 A N 1.570 124.374 122.820 -0.026 0.000 1.873 1083 A HA -0.110 4.200 4.320 -0.016 0.000 0.215 1083 A C 2.387 179.766 177.584 -0.343 0.000 1.186 1083 A CA 1.811 53.829 52.037 -0.032 0.000 0.616 1083 A CB -0.734 18.172 19.000 -0.155 0.000 0.823 1083 A HN 0.317 nan 8.150 nan 0.000 0.442 1084 A N -0.112 122.523 122.820 -0.308 0.000 1.908 1084 A HA 0.114 4.424 4.320 -0.016 0.000 0.218 1084 A C 2.503 179.973 177.584 -0.189 0.000 1.181 1084 A CA 2.266 54.143 52.037 -0.266 0.000 0.627 1084 A CB -1.020 17.862 19.000 -0.197 0.000 0.818 1084 A HN 1.071 nan 8.150 nan 0.000 0.445 1085 A N -1.205 121.505 122.820 -0.183 0.000 1.898 1085 A HA -0.061 4.249 4.320 -0.016 0.000 0.216 1085 A C 2.319 179.759 177.584 -0.239 0.000 1.181 1085 A CA 2.262 54.150 52.037 -0.249 0.000 0.620 1085 A CB -1.233 17.650 19.000 -0.196 0.000 0.819 1085 A HN 0.428 nan 8.150 nan 0.000 0.442 1086 T N -0.292 114.245 114.554 -0.027 0.000 2.674 1086 T HA -0.109 4.232 4.350 -0.016 0.000 0.265 1086 T C 1.564 176.270 174.700 0.010 0.000 1.039 1086 T CA 1.592 63.725 62.100 0.055 0.000 1.150 1086 T CB -0.446 68.535 68.868 0.188 0.000 0.864 1086 T HN 0.346 nan 8.240 nan 0.000 0.427 1087 F N 1.202 120.965 119.950 -0.311 0.000 2.120 1087 F HA -0.103 4.415 4.527 -0.016 0.000 0.300 1087 F C 2.387 178.101 175.800 -0.144 0.000 1.095 1087 F CA 0.977 58.750 58.000 -0.378 0.000 1.249 1087 F CB -1.078 37.608 39.000 -0.523 0.000 0.995 1087 F HN 0.131 nan 8.300 nan 0.000 0.480 1088 M N -0.525 119.095 119.600 0.033 0.000 2.086 1088 M HA -0.198 4.272 4.480 -0.016 0.000 0.261 1088 M C 2.202 178.526 176.300 0.040 0.000 1.067 1088 M CA 1.932 57.223 55.300 -0.016 0.000 1.116 1088 M CB -0.907 31.613 32.600 -0.132 0.000 1.348 1088 M HN 0.054 nan 8.290 nan 0.000 0.407 1089 H N 0.050 119.143 119.070 0.038 0.000 2.353 1089 H HA -0.034 4.513 4.556 -0.016 0.000 0.300 1089 H C 2.241 177.608 175.328 0.065 0.000 1.090 1089 H CA 2.224 58.311 56.048 0.065 0.000 1.327 1089 H CB -0.648 29.185 29.762 0.118 0.000 1.383 1089 H HN 0.458 nan 8.280 nan 0.000 0.508 1090 I N -0.112 120.523 120.570 0.109 0.000 2.252 1090 I HA -0.216 3.945 4.170 -0.016 0.000 0.245 1090 I C 2.460 178.618 176.117 0.068 0.000 1.102 1090 I CA 0.843 62.152 61.300 0.016 0.000 1.385 1090 I CB -0.154 37.686 38.000 -0.266 0.000 1.064 1090 I HN 0.058 nan 8.210 nan 0.000 0.414 1091 S N 0.000 115.764 115.700 0.106 0.000 2.359 1091 S HA -0.257 4.203 4.470 -0.016 0.000 0.224 1091 S C 2.007 176.698 174.600 0.151 0.000 1.035 1091 S CA 1.535 59.802 58.200 0.111 0.000 1.018 1091 S CB -0.502 62.775 63.200 0.128 0.000 0.876 1091 S HN 0.425 nan 8.310 nan 0.000 0.448 1092 Y N 2.895 123.214 120.300 0.032 0.000 2.181 1092 Y HA -0.161 4.379 4.550 -0.016 0.000 0.288 1092 Y C 2.242 178.149 175.900 0.012 0.000 1.146 1092 Y CA 1.563 59.677 58.100 0.024 0.000 1.164 1092 Y CB -0.747 37.711 38.460 -0.003 0.000 0.982 1092 Y HN 0.224 nan 8.280 nan 0.000 0.515 1093 N N 0.361 119.069 118.700 0.013 0.000 2.104 1093 N HA -0.222 4.508 4.740 -0.016 0.000 0.190 1093 N C 1.383 176.833 175.510 -0.100 0.000 1.024 1093 N CA 1.899 54.884 53.050 -0.109 0.000 0.853 1093 N CB -0.428 38.113 38.487 0.090 0.000 1.008 1093 N HN 0.336 nan 8.380 nan 0.000 0.424 1094 N N -0.431 118.255 118.700 -0.023 0.000 2.166 1094 N HA -0.147 4.583 4.740 -0.016 0.000 0.186 1094 N C 1.453 176.903 175.510 -0.101 0.000 1.019 1094 N CA 0.668 53.684 53.050 -0.056 0.000 0.856 1094 N CB -0.550 37.909 38.487 -0.047 0.000 0.993 1094 N HN 0.342 nan 8.380 nan 0.000 0.426 1095 F N 1.288 121.125 119.950 -0.188 0.000 2.128 1095 F HA -0.058 4.460 4.527 -0.015 0.000 0.295 1095 F C 1.988 177.639 175.800 -0.248 0.000 1.100 1095 F CA 0.752 58.641 58.000 -0.185 0.000 1.260 1095 F CB -0.081 38.827 39.000 -0.153 0.000 1.009 1095 F HN -0.148 nan 8.300 nan 0.000 0.476 1096 I N 0.584 120.978 120.570 -0.294 0.000 2.264 1096 I HA -0.262 3.899 4.170 -0.016 0.000 0.248 1096 I C 2.383 178.268 176.117 -0.386 0.000 1.111 1096 I CA 1.567 62.619 61.300 -0.412 0.000 1.382 1096 I CB -1.694 35.888 38.000 -0.696 0.000 1.060 1096 I HN 0.156 nan 8.210 nan 0.000 0.418 1097 T N 0.661 114.985 114.554 -0.383 0.000 2.849 1097 T HA -0.134 4.206 4.350 -0.016 0.000 0.270 1097 T C 1.494 175.958 174.700 -0.393 0.000 1.066 1097 T CA 1.015 62.855 62.100 -0.434 0.000 1.130 1097 T CB -0.093 68.533 68.868 -0.403 0.000 0.864 1097 T HN 0.327 nan 8.240 nan 0.000 0.481 1098 E N 0.816 120.786 120.200 -0.383 0.000 2.489 1098 E HA 0.117 4.457 4.350 -0.016 0.000 0.193 1098 E C 0.377 176.798 176.600 -0.298 0.000 1.057 1098 E CA -0.013 56.160 56.400 -0.379 0.000 0.866 1098 E CB -0.012 29.395 29.700 -0.488 0.000 0.916 1098 E HN 0.284 nan 8.360 nan 0.000 0.500 1099 V N 4.083 123.878 119.914 -0.198 0.000 2.521 1099 V HA -0.019 4.091 4.120 -0.016 0.000 0.286 1099 V C 0.427 176.481 176.094 -0.067 0.000 1.034 1099 V CA 0.198 62.483 62.300 -0.025 0.000 1.045 1099 V CB 0.556 32.318 31.823 -0.102 0.000 0.974 1099 V HN 0.210 nan 8.190 nan 0.000 0.480 1100 D N 4.118 124.505 120.400 -0.021 0.000 2.758 1100 D HA 0.586 5.216 4.640 -0.016 0.000 0.262 1100 D C -0.738 175.532 176.300 -0.051 0.000 1.113 1100 D CA -0.885 53.067 54.000 -0.079 0.000 1.114 1100 D CB 1.399 42.114 40.800 -0.141 0.000 1.363 1100 D HN 0.561 nan 8.370 nan 0.000 0.617 1101 N N -2.139 116.511 118.700 -0.084 0.000 3.020 1101 N HA 0.223 4.953 4.740 -0.016 0.000 0.248 1101 N C 0.072 175.509 175.510 -0.122 0.000 1.480 1101 N CA -0.856 52.158 53.050 -0.061 0.000 0.874 1101 N CB 0.710 39.167 38.487 -0.050 0.000 1.433 1101 N HN 0.318 nan 8.380 nan 0.000 0.530 1102 L N 0.438 121.601 121.223 -0.100 0.000 2.012 1102 L HA -0.009 4.322 4.340 -0.016 0.000 0.210 1102 L C 1.667 178.369 176.870 -0.281 0.000 1.073 1102 L CA 2.138 56.850 54.840 -0.213 0.000 0.748 1102 L CB -1.211 40.724 42.059 -0.206 0.000 0.891 1102 L HN 0.871 nan 8.230 nan 0.000 0.431 1103 N N -0.682 117.888 118.700 -0.217 0.000 2.188 1103 N HA -0.195 4.535 4.740 -0.016 0.000 0.184 1103 N C 1.825 177.222 175.510 -0.188 0.000 1.018 1103 N CA 1.503 54.429 53.050 -0.206 0.000 0.858 1103 N CB -0.063 38.353 38.487 -0.119 0.000 0.989 1103 N HN 0.347 nan 8.380 nan 0.000 0.426 1104 K N -0.228 120.076 120.400 -0.159 0.000 2.097 1104 K HA -0.087 4.223 4.320 -0.016 0.000 0.205 1104 K C 2.143 178.620 176.600 -0.205 0.000 1.050 1104 K CA 0.866 57.071 56.287 -0.136 0.000 0.938 1104 K CB -0.031 32.407 32.500 -0.103 0.000 0.718 1104 K HN 0.190 nan 8.250 nan 0.000 0.442 1105 R N -0.112 120.198 120.500 -0.316 0.000 2.066 1105 R HA 0.050 4.380 4.340 -0.016 0.000 0.224 1105 R C 1.767 177.600 176.300 -0.778 0.000 1.122 1105 R CA 0.891 56.692 56.100 -0.498 0.000 0.974 1105 R CB 0.249 30.212 30.300 -0.563 0.000 0.871 1105 R HN 0.050 nan 8.270 nan 0.000 0.435 1106 M N -0.075 119.089 119.600 -0.728 0.000 2.461 1106 M HA 0.250 4.720 4.480 -0.016 0.000 0.255 1106 M C 1.023 177.029 176.300 -0.490 0.000 1.137 1106 M CA 0.776 55.583 55.300 -0.821 0.000 1.086 1106 M CB 0.262 32.379 32.600 -0.806 0.000 1.356 1106 M HN 0.366 nan 8.290 nan 0.000 0.487 1107 G N 1.601 110.193 108.800 -0.346 0.000 2.601 1107 G HA2 -0.244 3.707 3.960 -0.016 0.000 0.252 1107 G HA3 -0.244 3.707 3.960 -0.016 0.000 0.252 1107 G C -0.502 174.242 174.900 -0.260 0.000 1.294 1107 G CA -0.052 44.912 45.100 -0.227 0.000 0.912 1107 G HN 0.412 nan 8.290 nan 0.000 0.574 1108 D N 0.548 120.830 120.400 -0.196 0.000 2.317 1108 D HA 0.425 5.055 4.640 -0.016 0.000 0.252 1108 D C 1.431 177.574 176.300 -0.261 0.000 1.174 1108 D CA -0.257 53.613 54.000 -0.216 0.000 0.866 1108 D CB 0.461 41.182 40.800 -0.131 0.000 1.127 1108 D HN 0.426 nan 8.370 nan 0.000 0.467 1109 L N 3.625 124.640 121.223 -0.346 0.000 2.700 1109 L HA 0.247 4.578 4.340 -0.016 0.000 0.234 1109 L C 1.029 177.795 176.870 -0.174 0.000 1.156 1109 L CA -0.273 54.321 54.840 -0.411 0.000 0.946 1109 L CB -0.072 41.483 42.059 -0.840 0.000 1.216 1109 L HN 0.092 nan 8.230 nan 0.000 0.493 1110 R N 1.079 121.494 120.500 -0.142 0.000 2.438 1110 R HA 0.107 4.438 4.340 -0.016 0.000 0.287 1110 R C -0.331 175.948 176.300 -0.034 0.000 1.077 1110 R CA -0.406 55.647 56.100 -0.079 0.000 1.034 1110 R CB 0.431 30.659 30.300 -0.120 0.000 0.993 1110 R HN 0.111 nan 8.270 nan 0.000 0.459 1111 D N 1.391 121.786 120.400 -0.009 0.000 2.723 1111 D HA -0.189 4.441 4.640 -0.016 0.000 0.236 1111 D C -0.325 175.979 176.300 0.006 0.000 1.138 1111 D CA 1.026 55.019 54.000 -0.012 0.000 0.676 1111 D CB -1.021 39.760 40.800 -0.033 0.000 1.069 1111 D HN 0.488 nan 8.370 nan 0.000 0.430 1112 I N 0.701 121.303 120.570 0.054 0.000 2.395 1112 I HA 0.049 4.209 4.170 -0.016 0.000 0.289 1112 I C 1.118 177.240 176.117 0.009 0.000 1.023 1112 I CA -0.359 60.974 61.300 0.055 0.000 1.350 1112 I CB 0.859 38.946 38.000 0.145 0.000 1.409 1112 I HN -0.140 nan 8.210 nan 0.000 0.507 1113 N N 5.593 124.286 118.700 -0.012 0.000 3.105 1113 N HA 0.464 5.194 4.740 -0.016 0.000 0.256 1113 N C -0.695 174.786 175.510 -0.049 0.000 1.174 1113 N CA -0.202 52.828 53.050 -0.033 0.000 1.030 1113 N CB 0.511 38.986 38.487 -0.020 0.000 1.305 1113 N HN 0.808 nan 8.380 nan 0.000 0.509 1114 G N 1.036 109.788 108.800 -0.080 0.000 2.633 1114 G HA2 0.155 4.106 3.960 -0.016 0.000 0.299 1114 G HA3 0.155 4.106 3.960 -0.016 0.000 0.299 1114 G C -0.128 174.660 174.900 -0.187 0.000 1.501 1114 G CA -0.699 44.327 45.100 -0.123 0.000 0.887 1114 G HN 0.364 nan 8.290 nan 0.000 0.561 1115 E N 0.446 120.502 120.200 -0.240 0.000 2.474 1115 E HA 0.520 4.860 4.350 -0.016 0.000 0.195 1115 E C 0.709 177.097 176.600 -0.353 0.000 1.039 1115 E CA 0.424 56.657 56.400 -0.278 0.000 0.881 1115 E CB 1.053 30.627 29.700 -0.211 0.000 0.970 1115 E HN 0.828 nan 8.360 nan 0.000 0.486 1116 A N 0.383 122.893 122.820 -0.516 0.000 2.556 1116 A HA 0.762 5.073 4.320 -0.016 0.000 0.294 1116 A C -0.493 176.677 177.584 -0.689 0.000 1.091 1116 A CA -0.270 51.398 52.037 -0.615 0.000 0.704 1116 A CB 2.061 20.567 19.000 -0.823 0.000 1.300 1116 A HN 0.184 nan 8.150 nan 0.000 0.406 1117 G N -0.448 108.220 108.800 -0.219 0.000 2.696 1117 G HA2 0.633 4.584 3.960 -0.016 0.000 0.295 1117 G HA3 0.633 4.584 3.960 -0.016 0.000 0.295 1117 G C -1.158 173.953 174.900 0.352 0.000 1.398 1117 G CA -0.334 44.837 45.100 0.117 0.000 0.920 1117 G HN 0.789 nan 8.290 nan 0.000 0.492 1118 T N 1.876 116.713 114.554 0.472 0.000 2.876 1118 T HA 0.765 5.106 4.350 -0.016 0.000 0.289 1118 T C -0.973 173.944 174.700 0.363 0.000 1.014 1118 T CA -0.508 61.792 62.100 0.334 0.000 0.986 1118 T CB 1.270 70.328 68.868 0.317 0.000 1.021 1118 T HN 0.664 nan 8.240 nan 0.000 0.458 1119 W N 1.304 122.692 121.300 0.148 0.000 3.083 1119 W HA 0.834 5.483 4.660 -0.018 0.000 0.333 1119 W C -2.174 174.388 176.519 0.071 0.000 1.217 1119 W CA -1.107 56.296 57.345 0.096 0.000 1.170 1119 W CB 0.658 30.142 29.460 0.041 0.000 1.437 1119 W HN 0.593 nan 8.180 nan 0.000 0.557 1120 V N 2.439 122.583 119.914 0.384 0.000 2.841 1120 V HA 0.718 4.828 4.120 -0.016 0.000 0.310 1120 V C -1.029 175.292 176.094 0.379 0.000 1.090 1120 V CA -0.923 61.530 62.300 0.254 0.000 0.930 1120 V CB 2.136 34.019 31.823 0.100 0.000 1.014 1120 V HN 0.722 nan 8.190 nan 0.000 0.425 1121 R N 5.967 126.685 120.500 0.362 0.000 2.628 1121 R HA 0.609 4.940 4.340 -0.016 0.000 0.288 1121 R C -2.430 173.973 176.300 0.171 0.000 0.980 1121 R CA -0.700 55.557 56.100 0.261 0.000 0.891 1121 R CB 2.057 32.527 30.300 0.283 0.000 1.188 1121 R HN 0.758 nan 8.270 nan 0.000 0.450 1122 L N 5.548 126.842 121.223 0.118 0.000 2.386 1122 L HA 0.552 4.883 4.340 -0.016 0.000 0.271 1122 L C -1.732 175.191 176.870 0.089 0.000 0.993 1122 L CA -1.039 53.860 54.840 0.098 0.000 0.819 1122 L CB 1.973 44.077 42.059 0.075 0.000 1.294 1122 L HN 0.667 nan 8.230 nan 0.000 0.414 1123 L N 4.676 125.962 121.223 0.105 0.000 2.408 1123 L HA 0.606 4.936 4.340 -0.016 0.000 0.268 1123 L C -1.462 175.489 176.870 0.135 0.000 0.986 1123 L CA -0.124 54.790 54.840 0.123 0.000 0.820 1123 L CB 1.971 44.121 42.059 0.152 0.000 1.303 1123 L HN 0.549 nan 8.230 nan 0.000 0.411 1124 N N 2.778 121.526 118.700 0.080 0.000 2.352 1124 N HA 0.880 5.610 4.740 -0.016 0.000 0.291 1124 N C -0.750 174.685 175.510 -0.125 0.000 1.040 1124 N CA 0.020 53.062 53.050 -0.014 0.000 0.864 1124 N CB 2.280 40.756 38.487 -0.020 0.000 1.440 1124 N HN 0.962 nan 8.380 nan 0.000 0.483 1125 G N -0.369 108.133 108.800 -0.497 0.000 2.600 1125 G HA2 0.639 4.590 3.960 -0.016 0.000 0.293 1125 G HA3 0.639 4.590 3.960 -0.016 0.000 0.293 1125 G C -1.666 172.681 174.900 -0.921 0.000 1.408 1125 G CA -0.473 44.292 45.100 -0.557 0.000 0.782 1125 G HN 0.357 nan 8.290 nan 0.000 0.482 1126 S N -1.509 113.961 115.700 -0.384 0.000 2.548 1126 S HA 0.840 5.300 4.470 -0.016 0.000 0.276 1126 S C 0.001 174.645 174.600 0.073 0.000 1.129 1126 S CA -0.193 57.924 58.200 -0.138 0.000 0.931 1126 S CB 1.868 65.012 63.200 -0.094 0.000 1.068 1126 S HN 1.320 nan 8.310 nan 0.000 0.480 1127 G N 0.965 109.890 108.800 0.209 0.000 2.630 1127 G HA2 0.818 4.769 3.960 -0.016 0.000 0.296 1127 G HA3 0.818 4.769 3.960 -0.016 0.000 0.296 1127 G C -0.959 173.994 174.900 0.088 0.000 1.285 1127 G CA -0.803 44.335 45.100 0.064 0.000 0.958 1127 G HN 0.996 nan 8.290 nan 0.000 0.479 1128 S N -1.716 113.956 115.700 -0.046 0.000 2.579 1128 S HA 0.923 5.383 4.470 -0.016 0.000 0.272 1128 S C -0.381 174.309 174.600 0.151 0.000 1.141 1128 S CA -0.022 58.272 58.200 0.157 0.000 0.843 1128 S CB 1.729 64.955 63.200 0.044 0.000 1.122 1128 S HN 2.162 nan 8.310 nan 0.000 0.468 1129 A N 0.835 123.855 122.820 0.334 0.000 2.593 1129 A HA 0.804 5.115 4.320 -0.016 0.000 0.304 1129 A C -1.364 176.325 177.584 0.176 0.000 1.233 1129 A CA -0.507 51.654 52.037 0.206 0.000 0.661 1129 A CB -0.022 19.079 19.000 0.168 0.000 1.338 1129 A HN 0.990 nan 8.150 nan 0.000 0.495 1130 D N -0.913 119.557 120.400 0.117 0.000 2.384 1130 D HA 0.416 5.046 4.640 -0.016 0.000 0.244 1130 D C 0.994 177.353 176.300 0.100 0.000 1.251 1130 D CA 0.806 54.861 54.000 0.092 0.000 0.961 1130 D CB 0.179 41.020 40.800 0.069 0.000 1.116 1130 D HN 2.022 nan 8.370 nan 0.000 0.484 1131 G N -1.769 107.078 108.800 0.078 0.000 2.143 1131 G HA2 0.003 3.953 3.960 -0.016 0.000 0.248 1131 G HA3 0.003 3.953 3.960 -0.016 0.000 0.248 1131 G C 1.082 176.025 174.900 0.072 0.000 0.991 1131 G CA 0.576 45.721 45.100 0.075 0.000 0.689 1131 G HN 1.687 nan 8.290 nan 0.000 0.522 1132 G N -1.347 107.497 108.800 0.074 0.000 2.153 1132 G HA2 -0.108 3.842 3.960 -0.016 0.000 0.252 1132 G HA3 -0.108 3.842 3.960 -0.016 0.000 0.252 1132 G C 0.373 175.304 174.900 0.050 0.000 0.994 1132 G CA 0.539 45.666 45.100 0.045 0.000 0.698 1132 G HN 1.935 nan 8.290 nan 0.000 0.521 1133 F N 1.589 121.527 119.950 -0.020 0.000 2.484 1133 F HA 0.590 5.108 4.527 -0.015 0.000 0.360 1133 F C 0.556 176.383 175.800 0.045 0.000 1.101 1133 F CA 0.934 58.936 58.000 0.004 0.000 1.251 1133 F CB 1.386 40.422 39.000 0.060 0.000 1.132 1133 F HN 0.139 nan 8.300 nan 0.000 0.570 1134 T N 5.216 119.328 114.554 -0.737 0.000 2.923 1134 T HA 0.449 4.789 4.350 -0.016 0.000 0.311 1134 T C -1.756 172.552 174.700 -0.653 0.000 1.183 1134 T CA -0.631 61.200 62.100 -0.449 0.000 1.020 1134 T CB 1.046 69.814 68.868 -0.167 0.000 1.165 1134 T HN 0.832 nan 8.240 nan 0.000 0.482 1135 D N 1.680 121.950 120.400 -0.217 0.000 2.583 1135 D HA 0.408 5.039 4.640 -0.016 0.000 0.248 1135 D C -1.320 175.093 176.300 0.188 0.000 1.209 1135 D CA -0.536 53.455 54.000 -0.016 0.000 0.848 1135 D CB 1.400 42.303 40.800 0.172 0.000 1.431 1135 D HN 0.786 nan 8.370 nan 0.000 0.436 1136 H N -1.859 117.240 119.070 0.049 0.000 2.930 1136 H HA 0.628 5.176 4.556 -0.013 0.000 0.371 1136 H C -1.379 173.967 175.328 0.031 0.000 1.169 1136 H CA -0.828 55.165 56.048 -0.091 0.000 1.157 1136 H CB 1.344 31.021 29.762 -0.143 0.000 1.789 1136 H HN 0.620 nan 8.280 nan 0.000 0.547 1137 Y N -0.869 119.515 120.300 0.140 0.000 2.562 1137 Y HA 0.647 5.189 4.550 -0.013 0.000 0.345 1137 Y C -1.196 174.754 175.900 0.084 0.000 1.045 1137 Y CA -1.097 57.046 58.100 0.072 0.000 1.028 1137 Y CB 1.832 40.335 38.460 0.072 0.000 1.297 1137 Y HN 0.647 nan 8.280 nan 0.000 0.463 1138 T N 3.656 118.346 114.554 0.226 0.000 2.848 1138 T HA 0.649 4.990 4.350 -0.016 0.000 0.285 1138 T C -1.375 173.435 174.700 0.184 0.000 0.995 1138 T CA -0.515 61.687 62.100 0.170 0.000 0.970 1138 T CB 1.240 70.169 68.868 0.101 0.000 0.976 1138 T HN 0.505 nan 8.240 nan 0.000 0.441 1139 L N 3.485 124.813 121.223 0.175 0.000 2.362 1139 L HA 0.717 5.048 4.340 -0.016 0.000 0.275 1139 L C -1.015 175.937 176.870 0.136 0.000 0.998 1139 L CA -0.677 54.246 54.840 0.138 0.000 0.820 1139 L CB 1.804 43.921 42.059 0.098 0.000 1.270 1139 L HN 0.499 nan 8.230 nan 0.000 0.415 1140 L N 3.319 124.644 121.223 0.170 0.000 2.381 1140 L HA 0.669 5.000 4.340 -0.016 0.000 0.274 1140 L C -1.080 175.933 176.870 0.237 0.000 0.988 1140 L CA 0.129 55.077 54.840 0.179 0.000 0.824 1140 L CB 1.622 43.768 42.059 0.146 0.000 1.263 1140 L HN 0.653 nan 8.230 nan 0.000 0.410 1141 Q N 5.137 125.052 119.800 0.191 0.000 2.389 1141 Q HA 0.738 5.068 4.340 -0.016 0.000 0.277 1141 Q C -1.511 174.492 176.000 0.004 0.000 1.082 1141 Q CA -0.787 55.109 55.803 0.155 0.000 0.810 1141 Q CB 3.154 32.045 28.738 0.256 0.000 1.374 1141 Q HN 0.696 nan 8.270 nan 0.000 0.422 1142 M N 0.226 119.645 119.600 -0.301 0.000 2.470 1142 M HA 0.752 5.222 4.480 -0.016 0.000 0.285 1142 M C -0.662 174.938 176.300 -1.166 0.000 1.213 1142 M CA -0.570 54.310 55.300 -0.699 0.000 0.901 1142 M CB 2.901 35.323 32.600 -0.297 0.000 1.718 1142 M HN 0.772 nan 8.290 nan 0.000 0.469 1143 G N 0.683 108.425 108.800 -1.764 0.000 2.682 1143 G HA2 0.919 4.870 3.960 -0.016 0.000 0.290 1143 G HA3 0.919 4.870 3.960 -0.016 0.000 0.290 1143 G C -2.350 172.171 174.900 -0.633 0.000 1.425 1143 G CA -0.619 43.778 45.100 -1.171 0.000 0.807 1143 G HN 0.892 nan 8.290 nan 0.000 0.482 1144 A N 0.235 123.015 122.820 -0.068 0.000 2.488 1144 A HA 0.828 5.139 4.320 -0.016 0.000 0.298 1144 A C -1.276 176.432 177.584 0.207 0.000 1.044 1144 A CA -0.286 51.813 52.037 0.103 0.000 0.693 1144 A CB 1.995 21.032 19.000 0.061 0.000 1.272 1144 A HN 1.211 nan 8.150 nan 0.000 0.402 1145 D N 0.311 120.858 120.400 0.246 0.000 2.626 1145 D HA 0.667 5.297 4.640 -0.016 0.000 0.278 1145 D C -0.621 175.722 176.300 0.072 0.000 1.211 1145 D CA -0.686 53.426 54.000 0.187 0.000 0.903 1145 D CB 0.852 41.869 40.800 0.362 0.000 1.408 1145 D HN 0.454 nan 8.370 nan 0.000 0.454 1146 R N -0.336 120.149 120.500 -0.024 0.000 2.637 1146 R HA 0.492 4.822 4.340 -0.016 0.000 0.291 1146 R C -0.639 175.355 176.300 -0.511 0.000 0.963 1146 R CA -1.111 54.843 56.100 -0.242 0.000 0.901 1146 R CB 2.241 32.400 30.300 -0.236 0.000 1.160 1146 R HN 0.399 nan 8.270 nan 0.000 0.457 1147 K N 2.805 122.814 120.400 -0.652 0.000 2.213 1147 K HA 0.241 4.551 4.320 -0.016 0.000 0.270 1147 K C -1.067 175.011 176.600 -0.870 0.000 1.002 1147 K CA -0.571 55.153 56.287 -0.939 0.000 0.868 1147 K CB 0.814 32.771 32.500 -0.905 0.000 1.093 1147 K HN 0.649 nan 8.250 nan 0.000 0.454 1148 H N 3.056 121.904 119.070 -0.370 0.000 2.481 1148 H HA 0.194 4.740 4.556 -0.016 0.000 0.333 1148 H C -0.719 174.456 175.328 -0.255 0.000 1.066 1148 H CA -0.616 55.290 56.048 -0.236 0.000 1.209 1148 H CB 1.451 31.118 29.762 -0.158 0.000 1.445 1148 H HN 0.554 nan 8.280 nan 0.000 0.488 1149 E N 3.891 124.022 120.200 -0.115 0.000 2.089 1149 E HA 0.289 4.629 4.350 -0.016 0.000 0.284 1149 E C -0.370 176.191 176.600 -0.066 0.000 1.023 1149 E CA -0.394 55.934 56.400 -0.119 0.000 0.819 1149 E CB 1.131 30.761 29.700 -0.118 0.000 1.076 1149 E HN 0.373 nan 8.360 nan 0.000 0.396 1150 L N 3.161 124.342 121.223 -0.070 0.000 2.401 1150 L HA 0.378 4.708 4.340 -0.016 0.000 0.263 1150 L C 0.857 177.709 176.870 -0.029 0.000 1.004 1150 L CA -0.647 54.170 54.840 -0.038 0.000 0.881 1150 L CB 1.073 43.115 42.059 -0.028 0.000 1.219 1150 L HN 0.819 nan 8.230 nan 0.000 0.441 1151 G N 2.675 111.467 108.800 -0.014 0.000 2.611 1151 G HA2 -0.389 3.561 3.960 -0.016 0.000 0.301 1151 G HA3 -0.389 3.561 3.960 -0.016 0.000 0.301 1151 G C 0.725 175.622 174.900 -0.006 0.000 1.233 1151 G CA 0.547 45.650 45.100 0.005 0.000 0.993 1151 G HN 0.805 nan 8.290 nan 0.000 0.553 1152 S N -0.252 115.465 115.700 0.029 0.000 2.671 1152 S HA 0.468 4.929 4.470 -0.016 0.000 0.220 1152 S C 0.794 175.370 174.600 -0.040 0.000 0.951 1152 S CA 1.083 59.301 58.200 0.029 0.000 0.932 1152 S CB -0.040 63.216 63.200 0.093 0.000 0.777 1152 S HN 0.997 nan 8.310 nan 0.000 0.508 1153 M N 2.127 121.629 119.600 -0.162 0.000 2.268 1153 M HA 0.463 4.933 4.480 -0.016 0.000 0.344 1153 M C -1.905 174.200 176.300 -0.325 0.000 1.106 1153 M CA -0.425 54.585 55.300 -0.483 0.000 1.010 1153 M CB 1.292 33.490 32.600 -0.670 0.000 1.649 1153 M HN -0.128 nan 8.290 nan 0.000 0.443 1154 D N 5.098 125.296 120.400 -0.338 0.000 2.274 1154 D HA 0.392 5.022 4.640 -0.016 0.000 0.239 1154 D C -1.201 174.906 176.300 -0.322 0.000 1.104 1154 D CA -0.075 53.740 54.000 -0.308 0.000 0.840 1154 D CB 1.698 42.367 40.800 -0.218 0.000 1.100 1154 D HN 0.503 nan 8.370 nan 0.000 0.477 1155 L N 3.524 124.557 121.223 -0.317 0.000 2.313 1155 L HA 0.490 4.820 4.340 -0.016 0.000 0.283 1155 L C -1.514 175.216 176.870 -0.232 0.000 1.013 1155 L CA -0.498 54.260 54.840 -0.137 0.000 0.816 1155 L CB 0.671 42.759 42.059 0.048 0.000 1.236 1155 L HN 0.141 nan 8.230 nan 0.000 0.419 1156 F N 2.815 122.764 119.950 -0.002 0.000 2.411 1156 F HA 0.571 5.088 4.527 -0.015 0.000 0.352 1156 F C 0.459 176.327 175.800 0.113 0.000 1.123 1156 F CA -0.552 57.469 58.000 0.034 0.000 1.044 1156 F CB 1.922 40.974 39.000 0.087 0.000 1.135 1156 F HN 0.523 nan 8.300 nan 0.000 0.461 1157 T N 0.307 114.980 114.554 0.199 0.000 2.792 1157 T HA 0.891 5.231 4.350 -0.016 0.000 0.280 1157 T C -0.150 174.486 174.700 -0.108 0.000 0.990 1157 T CA -0.767 61.389 62.100 0.094 0.000 0.960 1157 T CB 1.630 70.617 68.868 0.197 0.000 0.939 1157 T HN 0.867 nan 8.240 nan 0.000 0.439 1158 G N 0.964 109.445 108.800 -0.532 0.000 2.663 1158 G HA2 0.734 4.684 3.960 -0.016 0.000 0.299 1158 G HA3 0.734 4.684 3.960 -0.016 0.000 0.299 1158 G C -1.032 173.593 174.900 -0.458 0.000 1.372 1158 G CA -0.328 44.407 45.100 -0.609 0.000 0.781 1158 G HN 1.506 nan 8.290 nan 0.000 0.491 1159 V N -2.396 117.422 119.914 -0.160 0.000 3.040 1159 V HA 0.952 5.062 4.120 -0.016 0.000 0.312 1159 V C -0.261 175.854 176.094 0.034 0.000 1.115 1159 V CA -0.947 61.279 62.300 -0.123 0.000 0.998 1159 V CB 1.548 33.297 31.823 -0.124 0.000 1.042 1159 V HN 1.380 nan 8.190 nan 0.000 0.433 1160 M N 1.880 121.441 119.600 -0.064 0.000 2.578 1160 M HA 1.003 5.473 4.480 -0.016 0.000 0.276 1160 M C -0.982 175.247 176.300 -0.117 0.000 1.245 1160 M CA -0.675 54.610 55.300 -0.025 0.000 0.871 1160 M CB 2.081 34.838 32.600 0.263 0.000 1.722 1160 M HN 1.239 nan 8.290 nan 0.000 0.473 1161 A N 1.083 123.821 122.820 -0.137 0.000 2.374 1161 A HA 0.997 5.307 4.320 -0.016 0.000 0.317 1161 A C -0.494 176.972 177.584 -0.195 0.000 1.094 1161 A CA -0.317 51.627 52.037 -0.155 0.000 0.765 1161 A CB 1.603 20.549 19.000 -0.090 0.000 1.268 1161 A HN 1.044 nan 8.150 nan 0.000 0.438 1162 T N -1.362 112.960 114.554 -0.387 0.000 2.903 1162 T HA 0.780 5.120 4.350 -0.016 0.000 0.299 1162 T C -1.214 173.063 174.700 -0.704 0.000 1.093 1162 T CA -0.536 61.371 62.100 -0.321 0.000 1.002 1162 T CB 1.073 69.825 68.868 -0.194 0.000 1.127 1162 T HN 0.574 nan 8.240 nan 0.000 0.488 1163 Y N -0.535 119.792 120.300 0.045 0.000 2.534 1163 Y HA 0.676 5.217 4.550 -0.016 0.000 0.345 1163 Y C 0.017 175.939 175.900 0.036 0.000 1.031 1163 Y CA -0.868 57.274 58.100 0.069 0.000 1.022 1163 Y CB 2.994 41.495 38.460 0.068 0.000 1.292 1163 Y HN 0.891 nan 8.280 nan 0.000 0.459 1164 T N 1.552 116.209 114.554 0.171 0.000 2.952 1164 T HA 0.315 4.655 4.350 -0.016 0.000 0.305 1164 T C -2.027 172.737 174.700 0.107 0.000 1.064 1164 T CA -0.791 61.374 62.100 0.108 0.000 1.008 1164 T CB 1.990 70.871 68.868 0.022 0.000 1.078 1164 T HN 0.506 nan 8.240 nan 0.000 0.459 1165 D N 1.543 122.005 120.400 0.104 0.000 2.593 1165 D HA 0.540 5.171 4.640 -0.016 0.000 0.251 1165 D C -1.045 175.294 176.300 0.065 0.000 1.140 1165 D CA -0.154 53.888 54.000 0.070 0.000 0.855 1165 D CB 1.506 42.342 40.800 0.059 0.000 1.267 1165 D HN 0.397 nan 8.370 nan 0.000 0.532 1166 T N 3.281 117.856 114.554 0.034 0.000 2.886 1166 T HA 0.378 4.718 4.350 -0.016 0.000 0.292 1166 T C -1.068 173.586 174.700 -0.076 0.000 1.012 1166 T CA -0.789 61.334 62.100 0.038 0.000 0.982 1166 T CB 1.511 70.456 68.868 0.129 0.000 1.018 1166 T HN 0.200 nan 8.240 nan 0.000 0.451 1167 D N 1.930 122.170 120.400 -0.266 0.000 2.308 1167 D HA 0.621 5.251 4.640 -0.016 0.000 0.242 1167 D C -0.754 175.435 176.300 -0.185 0.000 1.059 1167 D CA -0.254 53.540 54.000 -0.344 0.000 0.830 1167 D CB 2.043 42.360 40.800 -0.805 0.000 1.161 1167 D HN 0.666 nan 8.370 nan 0.000 0.494 1168 A N 1.608 124.440 122.820 0.020 0.000 2.475 1168 A HA 0.742 5.052 4.320 -0.016 0.000 0.301 1168 A C -0.563 177.103 177.584 0.137 0.000 1.059 1168 A CA -0.582 51.505 52.037 0.083 0.000 0.710 1168 A CB 1.704 20.948 19.000 0.408 0.000 1.288 1168 A HN 0.485 nan 8.150 nan 0.000 0.408 1169 S N -0.093 115.521 115.700 -0.143 0.000 2.607 1169 S HA 0.966 5.426 4.470 -0.016 0.000 0.273 1169 S C -0.476 173.867 174.600 -0.428 0.000 1.148 1169 S CA -0.080 58.023 58.200 -0.163 0.000 0.833 1169 S CB 1.543 64.698 63.200 -0.075 0.000 1.130 1169 S HN 2.501 nan 8.310 nan 0.000 0.470 1170 A N 0.459 122.950 122.820 -0.549 0.000 2.568 1170 A HA 0.725 5.036 4.320 -0.016 0.000 0.291 1170 A C -0.139 177.306 177.584 -0.232 0.000 1.159 1170 A CA -0.567 51.228 52.037 -0.404 0.000 0.679 1170 A CB 0.075 18.770 19.000 -0.510 0.000 1.285 1170 A HN 0.674 nan 8.150 nan 0.000 0.428 1171 D N -0.070 120.277 120.400 -0.088 0.000 2.158 1171 D HA -0.128 4.502 4.640 -0.016 0.000 0.197 1171 D C 1.506 177.840 176.300 0.056 0.000 0.995 1171 D CA 1.658 55.657 54.000 -0.002 0.000 0.846 1171 D CB -0.041 40.778 40.800 0.031 0.000 0.941 1171 D HN 0.430 nan 8.370 nan 0.000 0.456 1172 L N -1.032 120.245 121.223 0.089 0.000 2.567 1172 L HA 0.084 4.415 4.340 -0.016 0.000 0.225 1172 L C -0.135 177.056 176.870 0.536 0.000 1.119 1172 L CA -0.130 54.914 54.840 0.340 0.000 0.871 1172 L CB -0.037 42.241 42.059 0.365 0.000 1.036 1172 L HN 0.088 nan 8.230 nan 0.000 0.459 1173 Y N -4.300 116.191 120.300 0.318 0.000 2.656 1173 Y HA 0.665 5.206 4.550 -0.016 0.000 0.334 1173 Y C -0.896 175.176 175.900 0.285 0.000 1.179 1173 Y CA -1.418 56.879 58.100 0.329 0.000 1.050 1173 Y CB 1.250 39.955 38.460 0.408 0.000 1.308 1173 Y HN -0.290 nan 8.280 nan 0.000 0.456 1174 S N 0.478 116.481 115.700 0.505 0.000 2.572 1174 S HA 0.883 5.344 4.470 -0.016 0.000 0.274 1174 S C -0.601 174.122 174.600 0.206 0.000 1.150 1174 S CA 0.258 58.646 58.200 0.313 0.000 0.944 1174 S CB 1.285 64.560 63.200 0.126 0.000 1.071 1174 S HN 1.792 nan 8.310 nan 0.000 0.479 1175 G N 3.069 111.823 108.800 -0.077 0.000 2.428 1175 G HA2 0.491 4.442 3.960 -0.016 0.000 0.305 1175 G HA3 0.491 4.442 3.960 -0.016 0.000 0.305 1175 G C -2.243 172.179 174.900 -0.797 0.000 1.260 1175 G CA -0.648 43.997 45.100 -0.759 0.000 0.853 1175 G HN 0.644 nan 8.290 nan 0.000 0.480 1176 K N -0.241 119.596 120.400 -0.937 0.000 2.498 1176 K HA 0.675 4.985 4.320 -0.016 0.000 0.254 1176 K C -1.516 174.929 176.600 -0.258 0.000 0.933 1176 K CA -0.637 55.405 56.287 -0.408 0.000 0.806 1176 K CB 2.525 34.881 32.500 -0.239 0.000 1.301 1176 K HN 0.461 nan 8.250 nan 0.000 0.432 1177 T N 2.301 116.824 114.554 -0.051 0.000 2.848 1177 T HA 0.384 4.725 4.350 -0.016 0.000 0.285 1177 T C -0.943 173.755 174.700 -0.003 0.000 0.995 1177 T CA -0.715 61.389 62.100 0.006 0.000 0.970 1177 T CB 1.417 70.328 68.868 0.072 0.000 0.976 1177 T HN 0.306 nan 8.240 nan 0.000 0.441 1178 K N 1.798 122.201 120.400 0.004 0.000 2.345 1178 K HA 0.744 5.055 4.320 -0.016 0.000 0.255 1178 K C -0.861 175.789 176.600 0.082 0.000 0.934 1178 K CA -0.620 55.700 56.287 0.055 0.000 0.801 1178 K CB 1.794 34.336 32.500 0.070 0.000 1.137 1178 K HN 0.532 nan 8.250 nan 0.000 0.424 1179 S N 2.035 117.794 115.700 0.099 0.000 2.595 1179 S HA 0.610 5.070 4.470 -0.016 0.000 0.281 1179 S C -1.488 173.198 174.600 0.144 0.000 1.117 1179 S CA -1.058 57.169 58.200 0.045 0.000 0.873 1179 S CB 1.201 64.345 63.200 -0.094 0.000 1.108 1179 S HN 0.664 nan 8.310 nan 0.000 0.477 1180 W N 0.347 121.633 121.300 -0.023 0.000 3.031 1180 W HA 0.842 5.492 4.660 -0.017 0.000 0.337 1180 W C -0.469 175.936 176.519 -0.190 0.000 1.187 1180 W CA -1.023 56.222 57.345 -0.167 0.000 1.166 1180 W CB 0.984 30.389 29.460 -0.092 0.000 1.437 1180 W HN 0.992 nan 8.180 nan 0.000 0.551 1181 G N -0.309 108.415 108.800 -0.125 0.000 2.489 1181 G HA2 0.668 4.619 3.960 -0.016 0.000 0.305 1181 G HA3 0.668 4.619 3.960 -0.016 0.000 0.305 1181 G C -1.310 173.558 174.900 -0.053 0.000 1.311 1181 G CA 0.012 44.977 45.100 -0.225 0.000 0.813 1181 G HN 1.317 nan 8.290 nan 0.000 0.480 1182 G N -2.416 106.353 108.800 -0.051 0.000 2.451 1182 G HA2 0.897 4.848 3.960 -0.016 0.000 0.292 1182 G HA3 0.897 4.848 3.960 -0.016 0.000 0.292 1182 G C -0.340 174.494 174.900 -0.110 0.000 1.427 1182 G CA 0.701 45.754 45.100 -0.079 0.000 0.792 1182 G HN 2.157 nan 8.290 nan 0.000 0.498 1183 G N -1.739 106.910 108.800 -0.251 0.000 2.348 1183 G HA2 0.652 4.603 3.960 -0.016 0.000 0.296 1183 G HA3 0.652 4.603 3.960 -0.016 0.000 0.296 1183 G C -2.091 172.473 174.900 -0.560 0.000 1.258 1183 G CA -0.610 44.326 45.100 -0.272 0.000 0.868 1183 G HN 0.837 nan 8.290 nan 0.000 0.488 1184 F N -0.067 119.960 119.950 0.128 0.000 2.588 1184 F HA 0.789 5.307 4.527 -0.015 0.000 0.314 1184 F C -0.272 175.640 175.800 0.186 0.000 1.069 1184 F CA -0.707 57.346 58.000 0.088 0.000 0.931 1184 F CB 2.418 41.442 39.000 0.041 0.000 1.260 1184 F HN 0.712 nan 8.300 nan 0.000 0.465 1185 Y N -0.226 120.267 120.300 0.321 0.000 2.615 1185 Y HA 0.929 5.469 4.550 -0.015 0.000 0.341 1185 Y C -1.453 174.604 175.900 0.263 0.000 1.089 1185 Y CA -2.053 56.195 58.100 0.247 0.000 1.049 1185 Y CB 1.539 40.102 38.460 0.172 0.000 1.296 1185 Y HN 0.753 nan 8.280 nan 0.000 0.470 1186 A N 1.352 124.449 122.820 0.461 0.000 2.375 1186 A HA 0.745 5.055 4.320 -0.016 0.000 0.295 1186 A C -1.468 176.379 177.584 0.439 0.000 1.066 1186 A CA -0.668 51.622 52.037 0.422 0.000 0.722 1186 A CB 1.065 20.301 19.000 0.392 0.000 1.206 1186 A HN 0.693 nan 8.150 nan 0.000 0.435 1187 S N 1.041 116.923 115.700 0.303 0.000 2.519 1187 S HA 0.735 5.195 4.470 -0.016 0.000 0.309 1187 S C 0.111 174.555 174.600 -0.259 0.000 1.100 1187 S CA -0.353 57.850 58.200 0.004 0.000 1.059 1187 S CB 1.774 64.989 63.200 0.025 0.000 1.008 1187 S HN 1.267 nan 8.310 nan 0.000 0.478 1188 G N 2.110 110.279 108.800 -1.050 0.000 2.422 1188 G HA2 0.647 4.597 3.960 -0.016 0.000 0.317 1188 G HA3 0.647 4.597 3.960 -0.016 0.000 0.317 1188 G C -1.303 173.280 174.900 -0.529 0.000 1.210 1188 G CA -0.462 44.036 45.100 -1.004 0.000 0.930 1188 G HN 0.514 nan 8.290 nan 0.000 0.468 1189 L N 2.161 123.172 121.223 -0.354 0.000 2.349 1189 L HA 0.523 4.854 4.340 -0.016 0.000 0.278 1189 L C -0.718 176.002 176.870 -0.249 0.000 0.996 1189 L CA -0.421 54.338 54.840 -0.135 0.000 0.825 1189 L CB 1.571 43.598 42.059 -0.054 0.000 1.243 1189 L HN 0.443 nan 8.230 nan 0.000 0.412 1190 F N 1.774 121.685 119.950 -0.065 0.000 2.399 1190 F HA 0.437 4.954 4.527 -0.016 0.000 0.334 1190 F C 1.576 177.315 175.800 -0.101 0.000 1.097 1190 F CA -0.548 57.410 58.000 -0.070 0.000 1.076 1190 F CB 1.396 40.354 39.000 -0.069 0.000 1.162 1190 F HN 0.462 nan 8.300 nan 0.000 0.495 1191 R N 0.725 121.276 120.500 0.085 0.000 2.139 1191 R HA -0.184 4.146 4.340 -0.016 0.000 0.243 1191 R C 2.209 178.514 176.300 0.009 0.000 1.145 1191 R CA 1.804 57.920 56.100 0.026 0.000 0.976 1191 R CB -0.228 30.088 30.300 0.026 0.000 0.866 1191 R HN 0.857 nan 8.270 nan 0.000 0.449 1192 S N -1.584 114.131 115.700 0.025 0.000 2.402 1192 S HA -0.083 4.378 4.470 -0.016 0.000 0.233 1192 S C 1.524 175.979 174.600 -0.242 0.000 1.030 1192 S CA 1.370 59.543 58.200 -0.045 0.000 1.003 1192 S CB -0.043 63.136 63.200 -0.035 0.000 0.813 1192 S HN 0.614 nan 8.310 nan 0.000 0.477 1193 G N 0.499 109.087 108.800 -0.353 0.000 2.284 1193 G HA2 0.070 4.020 3.960 -0.016 0.000 0.201 1193 G HA3 0.070 4.020 3.960 -0.016 0.000 0.201 1193 G C 0.270 174.696 174.900 -0.789 0.000 0.998 1193 G CA -0.063 44.726 45.100 -0.519 0.000 0.651 1193 G HN 1.275 nan 8.290 nan 0.000 0.489 1194 A N 0.097 122.275 122.820 -1.069 0.000 2.466 1194 A HA 0.654 4.965 4.320 -0.016 0.000 0.238 1194 A C -0.085 177.522 177.584 0.039 0.000 1.074 1194 A CA 1.126 52.774 52.037 -0.649 0.000 0.774 1194 A CB -0.030 18.658 19.000 -0.519 0.000 1.015 1194 A HN 1.972 nan 8.150 nan 0.000 0.498 1195 Y N -1.027 119.301 120.300 0.048 0.000 2.609 1195 Y HA 0.705 5.246 4.550 -0.015 0.000 0.336 1195 Y C -1.032 175.009 175.900 0.235 0.000 1.129 1195 Y CA -1.918 56.261 58.100 0.132 0.000 1.040 1195 Y CB 0.946 39.390 38.460 -0.028 0.000 1.310 1195 Y HN 0.945 nan 8.280 nan 0.000 0.460 1196 F N 0.111 120.269 119.950 0.347 0.000 2.620 1196 F HA 0.860 5.378 4.527 -0.016 0.000 0.320 1196 F C -1.775 174.225 175.800 0.333 0.000 1.069 1196 F CA -1.157 56.989 58.000 0.243 0.000 0.953 1196 F CB 2.179 41.298 39.000 0.199 0.000 1.322 1196 F HN 0.555 nan 8.300 nan 0.000 0.479 1197 D N 0.988 121.709 120.400 0.536 0.000 2.970 1197 D HA 0.603 5.233 4.640 -0.016 0.000 0.230 1197 D C -1.990 174.555 176.300 0.408 0.000 1.276 1197 D CA -0.231 53.994 54.000 0.375 0.000 0.910 1197 D CB 2.398 43.323 40.800 0.209 0.000 1.590 1197 D HN 0.604 nan 8.370 nan 0.000 0.551 1198 V N 4.740 124.907 119.914 0.421 0.000 2.656 1198 V HA 0.647 4.757 4.120 -0.016 0.000 0.307 1198 V C -0.389 175.876 176.094 0.285 0.000 1.051 1198 V CA -0.755 61.735 62.300 0.317 0.000 0.893 1198 V CB 1.846 33.847 31.823 0.297 0.000 0.999 1198 V HN 0.676 nan 8.190 nan 0.000 0.426 1199 I N 3.205 123.903 120.570 0.214 0.000 2.802 1199 I HA 0.902 5.063 4.170 -0.016 0.000 0.298 1199 I C -0.814 175.411 176.117 0.180 0.000 1.176 1199 I CA -0.513 60.922 61.300 0.225 0.000 1.025 1199 I CB 2.146 40.249 38.000 0.172 0.000 1.243 1199 I HN 0.725 nan 8.210 nan 0.000 0.424 1200 A N 6.911 129.851 122.820 0.200 0.000 2.381 1200 A HA 0.805 5.116 4.320 -0.016 0.000 0.299 1200 A C -1.349 176.328 177.584 0.155 0.000 1.049 1200 A CA -0.600 51.543 52.037 0.176 0.000 0.715 1200 A CB 1.223 20.336 19.000 0.190 0.000 1.222 1200 A HN 0.672 nan 8.150 nan 0.000 0.428 1201 K N 0.777 121.240 120.400 0.106 0.000 2.495 1201 K HA 0.689 4.999 4.320 -0.016 0.000 0.268 1201 K C -1.760 174.895 176.600 0.091 0.000 1.008 1201 K CA -0.833 55.471 56.287 0.028 0.000 0.882 1201 K CB 1.755 34.147 32.500 -0.179 0.000 1.443 1201 K HN 0.543 nan 8.250 nan 0.000 0.447 1202 Y N 0.874 121.121 120.300 -0.089 0.000 2.409 1202 Y HA 0.611 5.151 4.550 -0.016 0.000 0.343 1202 Y C -1.565 174.200 175.900 -0.225 0.000 0.973 1202 Y CA -1.182 56.852 58.100 -0.111 0.000 1.064 1202 Y CB 1.359 39.773 38.460 -0.078 0.000 1.207 1202 Y HN 0.596 nan 8.280 nan 0.000 0.452 1203 I N 5.991 126.005 120.570 -0.926 0.000 2.533 1203 I HA 0.272 4.432 4.170 -0.016 0.000 0.290 1203 I C -1.132 174.345 176.117 -1.066 0.000 1.056 1203 I CA -0.632 60.164 61.300 -0.840 0.000 1.057 1203 I CB 1.806 39.520 38.000 -0.478 0.000 1.240 1203 I HN 0.620 nan 8.210 nan 0.000 0.423 1204 H N 5.926 124.279 119.070 -1.196 0.000 2.481 1204 H HA 0.545 5.091 4.556 -0.016 0.000 0.333 1204 H C -1.439 173.570 175.328 -0.531 0.000 1.066 1204 H CA -0.694 54.825 56.048 -0.881 0.000 1.209 1204 H CB 1.441 30.533 29.762 -1.116 0.000 1.445 1204 H HN 0.667 nan 8.280 nan 0.000 0.488 1205 N N 3.196 121.510 118.700 -0.644 0.000 2.342 1205 N HA 0.164 4.895 4.740 -0.016 0.000 0.293 1205 N C -1.129 174.172 175.510 -0.348 0.000 1.026 1205 N CA -0.765 52.070 53.050 -0.358 0.000 0.857 1205 N CB 2.406 40.718 38.487 -0.292 0.000 1.256 1205 N HN 0.556 nan 8.380 nan 0.000 0.484 1206 E N 1.899 122.013 120.200 -0.143 0.000 2.129 1206 E HA 0.251 4.591 4.350 -0.016 0.000 0.268 1206 E C -1.273 175.207 176.600 -0.199 0.000 0.900 1206 E CA -0.741 55.587 56.400 -0.119 0.000 0.755 1206 E CB 0.471 30.208 29.700 0.062 0.000 1.117 1206 E HN 0.439 nan 8.360 nan 0.000 0.410 1207 N N 4.499 122.948 118.700 -0.418 0.000 2.400 1207 N HA 0.313 5.044 4.740 -0.016 0.000 0.288 1207 N C -1.130 174.238 175.510 -0.235 0.000 1.024 1207 N CA -0.573 52.215 53.050 -0.438 0.000 0.894 1207 N CB 1.640 39.291 38.487 -1.394 0.000 1.173 1207 N HN 0.399 nan 8.380 nan 0.000 0.487 1208 K N 2.761 123.126 120.400 -0.058 0.000 2.604 1208 K HA 0.363 4.673 4.320 -0.016 0.000 0.247 1208 K C -1.357 175.164 176.600 -0.132 0.000 0.956 1208 K CA -0.447 55.826 56.287 -0.023 0.000 0.896 1208 K CB 1.422 33.878 32.500 -0.073 0.000 1.131 1208 K HN 0.487 nan 8.250 nan 0.000 0.440 1209 Y N 0.528 120.888 120.300 0.100 0.000 2.477 1209 Y HA 0.196 4.736 4.550 -0.016 0.000 0.347 1209 Y C -0.171 175.822 175.900 0.155 0.000 0.981 1209 Y CA -0.941 57.254 58.100 0.159 0.000 1.033 1209 Y CB 1.934 40.537 38.460 0.238 0.000 1.245 1209 Y HN 0.450 nan 8.280 nan 0.000 0.455 1210 D N 3.128 123.678 120.400 0.250 0.000 2.277 1210 D HA 0.264 4.894 4.640 -0.016 0.000 0.249 1210 D C -1.011 175.425 176.300 0.226 0.000 1.134 1210 D CA -0.238 53.870 54.000 0.179 0.000 0.863 1210 D CB 1.772 42.639 40.800 0.112 0.000 1.143 1210 D HN 0.206 nan 8.370 nan 0.000 0.458 1211 L N 3.424 124.689 121.223 0.069 0.000 2.264 1211 L HA 0.164 4.494 4.340 -0.016 0.000 0.289 1211 L C 0.557 177.287 176.870 -0.234 0.000 1.044 1211 L CA -0.445 54.321 54.840 -0.123 0.000 0.807 1211 L CB 0.469 42.219 42.059 -0.514 0.000 1.192 1211 L HN 0.122 nan 8.230 nan 0.000 0.425 1212 N N 6.090 124.824 118.700 0.058 0.000 3.331 1212 N HA 0.361 5.091 4.740 -0.016 0.000 0.303 1212 N C -1.075 174.588 175.510 0.256 0.000 1.326 1212 N CA 0.077 53.205 53.050 0.129 0.000 1.207 1212 N CB -0.203 38.397 38.487 0.187 0.000 1.477 1212 N HN 0.486 nan 8.380 nan 0.000 0.541 1213 F N -3.709 116.295 119.950 0.090 0.000 2.728 1213 F HA 0.464 4.981 4.527 -0.016 0.000 0.315 1213 F C 0.037 175.869 175.800 0.053 0.000 1.096 1213 F CA -1.427 56.614 58.000 0.068 0.000 0.997 1213 F CB 0.421 39.464 39.000 0.073 0.000 1.252 1213 F HN 0.003 nan 8.300 nan 0.000 0.458 1214 A N 1.501 124.454 122.820 0.222 0.000 2.832 1214 A HA 0.258 4.569 4.320 -0.016 0.000 0.280 1214 A C 1.948 179.549 177.584 0.028 0.000 1.464 1214 A CA 1.496 53.621 52.037 0.148 0.000 0.804 1214 A CB -2.330 16.832 19.000 0.271 0.000 1.020 1214 A HN 3.153 nan 8.150 nan 0.000 0.563 1215 G N -2.526 106.272 108.800 -0.004 0.000 2.296 1215 G HA2 0.024 3.974 3.960 -0.016 0.000 0.282 1215 G HA3 0.024 3.974 3.960 -0.016 0.000 0.282 1215 G C 1.425 176.289 174.900 -0.060 0.000 1.014 1215 G CA 1.452 46.538 45.100 -0.023 0.000 0.812 1215 G HN 2.416 nan 8.290 nan 0.000 0.508 1216 A N -0.691 122.040 122.820 -0.148 0.000 1.969 1216 A HA 0.467 4.777 4.320 -0.016 0.000 0.218 1216 A C 2.732 180.256 177.584 -0.099 0.000 1.169 1216 A CA 2.019 53.953 52.037 -0.171 0.000 0.635 1216 A CB -0.582 18.183 19.000 -0.393 0.000 0.810 1216 A HN 2.648 nan 8.150 nan 0.000 0.445 1217 G N -0.634 108.110 108.800 -0.093 0.000 2.601 1217 G HA2 -0.252 3.698 3.960 -0.016 0.000 0.261 1217 G HA3 -0.252 3.698 3.960 -0.016 0.000 0.261 1217 G C -0.106 174.800 174.900 0.011 0.000 1.289 1217 G CA 0.050 45.134 45.100 -0.027 0.000 0.920 1217 G HN 0.473 nan 8.290 nan 0.000 0.571 1218 K N 1.531 121.957 120.400 0.044 0.000 2.416 1218 K HA 0.229 4.540 4.320 -0.016 0.000 0.283 1218 K C 0.112 176.785 176.600 0.121 0.000 1.037 1218 K CA 0.422 56.759 56.287 0.083 0.000 0.995 1218 K CB 0.695 33.232 32.500 0.062 0.000 0.938 1218 K HN 0.490 nan 8.250 nan 0.000 0.475 1219 Q N 2.739 122.657 119.800 0.196 0.000 2.304 1219 Q HA 0.316 4.647 4.340 -0.016 0.000 0.270 1219 Q C -0.585 175.611 176.000 0.327 0.000 1.035 1219 Q CA -0.509 55.460 55.803 0.277 0.000 0.781 1219 Q CB 2.019 30.986 28.738 0.382 0.000 1.261 1219 Q HN 0.471 nan 8.270 nan 0.000 0.444 1220 N N 3.053 121.915 118.700 0.269 0.000 2.400 1220 N HA 0.644 5.375 4.740 -0.016 0.000 0.288 1220 N C -0.839 174.846 175.510 0.291 0.000 1.024 1220 N CA -0.085 53.085 53.050 0.200 0.000 0.894 1220 N CB 1.232 39.787 38.487 0.113 0.000 1.173 1220 N HN 0.387 nan 8.380 nan 0.000 0.487 1221 F N -0.864 119.034 119.950 -0.086 0.000 2.693 1221 F HA 0.569 5.086 4.527 -0.016 0.000 0.309 1221 F C -1.006 174.714 175.800 -0.135 0.000 1.129 1221 F CA -1.235 56.688 58.000 -0.127 0.000 0.948 1221 F CB 1.134 39.944 39.000 -0.315 0.000 1.315 1221 F HN 0.074 nan 8.300 nan 0.000 0.447 1222 R N 1.291 121.764 120.500 -0.045 0.000 2.778 1222 R HA 0.850 5.180 4.340 -0.016 0.000 0.277 1222 R C -1.135 175.070 176.300 -0.159 0.000 0.977 1222 R CA -0.897 55.084 56.100 -0.198 0.000 0.950 1222 R CB 2.245 32.482 30.300 -0.106 0.000 1.165 1222 R HN 1.011 nan 8.270 nan 0.000 0.474 1223 S N 0.043 115.570 115.700 -0.288 0.000 2.618 1223 S HA 0.641 5.102 4.470 -0.016 0.000 0.277 1223 S C -0.919 173.555 174.600 -0.210 0.000 1.138 1223 S CA -1.087 57.028 58.200 -0.142 0.000 0.844 1223 S CB 2.135 65.311 63.200 -0.041 0.000 1.127 1223 S HN 0.917 nan 8.310 nan 0.000 0.474 1224 H N -1.663 117.293 119.070 -0.191 0.000 3.017 1224 H HA 0.849 5.395 4.556 -0.016 0.000 0.346 1224 H C -1.294 173.963 175.328 -0.118 0.000 1.286 1224 H CA -1.079 54.809 56.048 -0.265 0.000 1.120 1224 H CB 1.506 31.153 29.762 -0.192 0.000 1.860 1224 H HN 0.957 nan 8.280 nan 0.000 0.542 1225 S N 1.268 116.853 115.700 -0.192 0.000 2.550 1225 S HA 0.485 4.946 4.470 -0.016 0.000 0.270 1225 S C -1.340 173.248 174.600 -0.018 0.000 1.145 1225 S CA -1.115 57.047 58.200 -0.064 0.000 0.852 1225 S CB 1.686 64.984 63.200 0.164 0.000 1.119 1225 S HN 0.606 nan 8.310 nan 0.000 0.465 1226 L N 2.303 123.576 121.223 0.084 0.000 2.325 1226 L HA 0.616 4.947 4.340 -0.016 0.000 0.279 1226 L C -1.012 176.000 176.870 0.236 0.000 1.054 1226 L CA -0.800 54.132 54.840 0.154 0.000 0.804 1226 L CB 1.292 43.416 42.059 0.109 0.000 1.200 1226 L HN 0.882 nan 8.230 nan 0.000 0.436 1227 Y N 2.433 122.752 120.300 0.033 0.000 2.433 1227 Y HA 0.703 5.243 4.550 -0.016 0.000 0.337 1227 Y C -1.047 174.728 175.900 -0.209 0.000 1.026 1227 Y CA -0.716 57.382 58.100 -0.002 0.000 1.037 1227 Y CB 1.733 40.132 38.460 -0.103 0.000 1.245 1227 Y HN 0.618 nan 8.280 nan 0.000 0.443 1228 A N 3.696 126.210 122.820 -0.511 0.000 2.414 1228 A HA 0.911 5.221 4.320 -0.016 0.000 0.306 1228 A C -0.922 176.013 177.584 -1.082 0.000 1.054 1228 A CA -0.321 51.283 52.037 -0.722 0.000 0.724 1228 A CB 1.505 19.780 19.000 -1.208 0.000 1.267 1228 A HN 1.183 nan 8.150 nan 0.000 0.418 1229 G N -0.344 108.138 108.800 -0.530 0.000 2.682 1229 G HA2 0.782 4.732 3.960 -0.016 0.000 0.300 1229 G HA3 0.782 4.732 3.960 -0.016 0.000 0.300 1229 G C -0.900 173.989 174.900 -0.017 0.000 1.391 1229 G CA 0.171 45.098 45.100 -0.289 0.000 0.990 1229 G HN 1.732 nan 8.290 nan 0.000 0.501 1230 A N 1.320 124.236 122.820 0.160 0.000 2.374 1230 A HA 0.850 5.160 4.320 -0.016 0.000 0.305 1230 A C -0.642 177.072 177.584 0.216 0.000 1.053 1230 A CA -0.631 51.554 52.037 0.248 0.000 0.726 1230 A CB 1.885 21.090 19.000 0.341 0.000 1.229 1230 A HN 0.795 nan 8.150 nan 0.000 0.431 1231 E N 1.468 121.799 120.200 0.218 0.000 2.293 1231 E HA 0.708 5.049 4.350 -0.016 0.000 0.270 1231 E C -1.237 175.455 176.600 0.152 0.000 0.879 1231 E CA -0.713 55.798 56.400 0.185 0.000 0.756 1231 E CB 2.218 32.045 29.700 0.212 0.000 1.208 1231 E HN 0.953 nan 8.360 nan 0.000 0.428 1232 V N -0.187 119.736 119.914 0.015 0.000 3.130 1232 V HA 1.031 5.141 4.120 -0.016 0.000 0.310 1232 V C -0.115 175.711 176.094 -0.447 0.000 1.158 1232 V CA 0.021 62.206 62.300 -0.193 0.000 1.029 1232 V CB 1.399 33.203 31.823 -0.031 0.000 1.057 1232 V HN 0.891 nan 8.190 nan 0.000 0.436 1233 G N 0.086 108.384 108.800 -0.837 0.000 2.488 1233 G HA2 0.606 4.556 3.960 -0.016 0.000 0.301 1233 G HA3 0.606 4.556 3.960 -0.016 0.000 0.301 1233 G C -2.481 172.259 174.900 -0.266 0.000 1.339 1233 G CA -0.524 44.263 45.100 -0.522 0.000 0.803 1233 G HN 1.459 nan 8.290 nan 0.000 0.482 1234 Y N -0.004 120.275 120.300 -0.034 0.000 2.348 1234 Y HA 0.569 5.109 4.550 -0.016 0.000 0.321 1234 Y C -0.189 175.660 175.900 -0.085 0.000 1.163 1234 Y CA -0.864 57.186 58.100 -0.083 0.000 1.070 1234 Y CB 1.788 40.172 38.460 -0.127 0.000 1.250 1234 Y HN 0.667 nan 8.280 nan 0.000 0.425 1235 R N 5.001 125.460 120.500 -0.068 0.000 2.221 1235 R HA 0.368 4.699 4.340 -0.016 0.000 0.327 1235 R C -1.919 174.307 176.300 -0.123 0.000 1.033 1235 R CA -0.241 55.810 56.100 -0.083 0.000 0.887 1235 R CB 0.490 30.609 30.300 -0.302 0.000 1.057 1235 R HN 0.652 nan 8.270 nan 0.000 0.455 1236 Y N 3.362 123.773 120.300 0.185 0.000 2.356 1236 Y HA 0.221 4.761 4.550 -0.016 0.000 0.334 1236 Y C -0.183 175.782 175.900 0.109 0.000 0.958 1236 Y CA -0.800 57.414 58.100 0.190 0.000 1.196 1236 Y CB 1.129 39.683 38.460 0.157 0.000 1.137 1236 Y HN 0.616 nan 8.280 nan 0.000 0.485 1237 H N 3.085 122.315 119.070 0.268 0.000 2.886 1237 H HA 0.103 4.649 4.556 -0.016 0.000 0.329 1237 H C 0.671 176.118 175.328 0.198 0.000 1.044 1237 H CA 0.390 56.580 56.048 0.235 0.000 1.456 1237 H CB 0.939 30.790 29.762 0.149 0.000 1.464 1237 H HN 0.742 nan 8.280 nan 0.000 0.573 1238 L N 1.628 122.986 121.223 0.224 0.000 2.253 1238 L HA 0.102 4.433 4.340 -0.016 0.000 0.205 1238 L C 0.933 177.879 176.870 0.127 0.000 1.078 1238 L CA 0.684 55.610 54.840 0.143 0.000 0.805 1238 L CB 0.093 42.200 42.059 0.079 0.000 0.963 1238 L HN 0.702 nan 8.230 nan 0.000 0.459 1239 T N -6.462 108.180 114.554 0.147 0.000 2.696 1239 T HA 0.236 4.577 4.350 -0.016 0.000 0.291 1239 T C 0.238 175.020 174.700 0.137 0.000 1.095 1239 T CA -0.679 61.484 62.100 0.104 0.000 1.026 1239 T CB 1.484 70.385 68.868 0.056 0.000 1.390 1239 T HN -0.232 nan 8.240 nan 0.000 0.513 1240 D N 1.118 121.557 120.400 0.065 0.000 2.182 1240 D HA -0.033 4.597 4.640 -0.016 0.000 0.201 1240 D C 1.924 178.267 176.300 0.072 0.000 0.986 1240 D CA 2.261 56.276 54.000 0.025 0.000 0.847 1240 D CB -0.194 40.600 40.800 -0.010 0.000 0.942 1240 D HN 0.840 nan 8.370 nan 0.000 0.467 1241 T N -3.223 111.375 114.554 0.073 0.000 3.084 1241 T HA 0.171 4.511 4.350 -0.016 0.000 0.270 1241 T C 0.561 175.282 174.700 0.035 0.000 1.008 1241 T CA -0.258 61.868 62.100 0.043 0.000 0.900 1241 T CB 0.224 69.045 68.868 -0.078 0.000 1.084 1241 T HN 0.047 nan 8.240 nan 0.000 0.538 1242 T N 0.538 115.145 114.554 0.089 0.000 2.907 1242 T HA 0.787 5.128 4.350 -0.016 0.000 0.292 1242 T C -0.924 173.800 174.700 0.040 0.000 1.043 1242 T CA -0.948 61.123 62.100 -0.047 0.000 1.003 1242 T CB 2.007 70.818 68.868 -0.094 0.000 1.084 1242 T HN 0.430 nan 8.240 nan 0.000 0.483 1243 F N -0.262 119.623 119.950 -0.107 0.000 2.686 1243 F HA 0.811 5.328 4.527 -0.016 0.000 0.311 1243 F C -1.376 174.388 175.800 -0.059 0.000 1.128 1243 F CA -1.634 56.258 58.000 -0.179 0.000 0.946 1243 F CB 1.042 39.745 39.000 -0.496 0.000 1.336 1243 F HN 0.631 nan 8.300 nan 0.000 0.457 1244 V N -1.065 119.024 119.914 0.292 0.000 2.823 1244 V HA 0.758 4.868 4.120 -0.016 0.000 0.312 1244 V C -1.139 175.219 176.094 0.439 0.000 1.072 1244 V CA -0.709 61.755 62.300 0.275 0.000 0.937 1244 V CB 1.696 33.609 31.823 0.149 0.000 1.013 1244 V HN 1.047 nan 8.190 nan 0.000 0.430 1245 E N 4.334 124.770 120.200 0.392 0.000 2.580 1245 E HA 0.452 4.793 4.350 -0.016 0.000 0.248 1245 E C -2.867 173.922 176.600 0.315 0.000 1.018 1245 E CA -1.988 54.641 56.400 0.382 0.000 0.775 1245 E CB 2.365 32.286 29.700 0.369 0.000 1.378 1245 E HN 0.707 nan 8.360 nan 0.000 0.401 1246 P HA 0.051 nan 4.420 nan 0.000 0.274 1246 P C -0.964 176.476 177.300 0.235 0.000 1.231 1246 P CA -0.070 63.165 63.100 0.225 0.000 0.790 1246 P CB 1.115 32.929 31.700 0.190 0.000 0.951 1247 Q N 0.134 120.058 119.800 0.207 0.000 2.418 1247 Q HA 0.769 5.100 4.340 -0.016 0.000 0.282 1247 Q C -1.445 174.658 176.000 0.172 0.000 1.044 1247 Q CA -0.956 54.967 55.803 0.201 0.000 0.813 1247 Q CB 2.697 31.619 28.738 0.308 0.000 1.428 1247 Q HN 0.552 nan 8.270 nan 0.000 0.402 1248 A N 1.361 124.259 122.820 0.130 0.000 2.488 1248 A HA 0.728 5.038 4.320 -0.016 0.000 0.298 1248 A C -1.625 176.027 177.584 0.113 0.000 1.044 1248 A CA -0.450 51.661 52.037 0.125 0.000 0.693 1248 A CB 2.073 21.137 19.000 0.107 0.000 1.272 1248 A HN 0.700 nan 8.150 nan 0.000 0.402 1249 E N 1.041 121.303 120.200 0.103 0.000 2.356 1249 E HA 0.651 4.991 4.350 -0.016 0.000 0.275 1249 E C -2.310 174.341 176.600 0.085 0.000 0.904 1249 E CA -0.618 55.841 56.400 0.098 0.000 0.757 1249 E CB 2.036 31.777 29.700 0.069 0.000 1.232 1249 E HN 0.627 nan 8.360 nan 0.000 0.442 1250 L N 3.757 125.070 121.223 0.150 0.000 2.431 1250 L HA 0.575 4.905 4.340 -0.016 0.000 0.266 1250 L C -1.849 175.180 176.870 0.265 0.000 0.978 1250 L CA -0.677 54.277 54.840 0.191 0.000 0.822 1250 L CB 2.069 44.275 42.059 0.246 0.000 1.310 1250 L HN 0.415 nan 8.230 nan 0.000 0.409 1251 V N 4.070 124.078 119.914 0.157 0.000 2.588 1251 V HA 0.612 4.723 4.120 -0.016 0.000 0.304 1251 V C -1.141 175.030 176.094 0.129 0.000 1.042 1251 V CA -0.374 61.879 62.300 -0.079 0.000 0.877 1251 V CB 1.568 33.204 31.823 -0.312 0.000 0.996 1251 V HN 0.873 nan 8.190 nan 0.000 0.425 1252 W N 3.018 124.231 121.300 -0.145 0.000 2.962 1252 W HA 0.972 5.623 4.660 -0.016 0.000 0.341 1252 W C -0.110 176.362 176.519 -0.079 0.000 1.155 1252 W CA -0.770 56.521 57.345 -0.090 0.000 1.165 1252 W CB 1.774 31.204 29.460 -0.051 0.000 1.435 1252 W HN 0.841 nan 8.180 nan 0.000 0.546 1253 G N 0.752 109.529 108.800 -0.037 0.000 2.682 1253 G HA2 0.713 4.663 3.960 -0.016 0.000 0.290 1253 G HA3 0.713 4.663 3.960 -0.016 0.000 0.290 1253 G C -1.895 172.926 174.900 -0.131 0.000 1.425 1253 G CA -1.534 43.464 45.100 -0.171 0.000 0.807 1253 G HN 0.535 nan 8.290 nan 0.000 0.482 1254 R N -0.146 120.305 120.500 -0.082 0.000 2.476 1254 R HA 0.461 4.791 4.340 -0.016 0.000 0.305 1254 R C -1.686 174.568 176.300 -0.076 0.000 0.965 1254 R CA -0.789 55.274 56.100 -0.061 0.000 0.867 1254 R CB 2.232 32.533 30.300 0.002 0.000 1.176 1254 R HN 0.352 nan 8.270 nan 0.000 0.447 1255 L N 2.784 123.953 121.223 -0.090 0.000 2.333 1255 L HA 0.405 4.735 4.340 -0.016 0.000 0.280 1255 L C -0.942 175.947 176.870 0.031 0.000 1.004 1255 L CA -0.180 54.638 54.840 -0.036 0.000 0.820 1255 L CB 1.752 43.761 42.059 -0.084 0.000 1.247 1255 L HN 0.617 nan 8.230 nan 0.000 0.416 1256 Q N 3.078 122.942 119.800 0.107 0.000 2.323 1256 Q HA 0.784 5.114 4.340 -0.016 0.000 0.271 1256 Q C -1.104 175.021 176.000 0.208 0.000 1.048 1256 Q CA -0.629 55.273 55.803 0.166 0.000 0.792 1256 Q CB 2.094 30.963 28.738 0.219 0.000 1.280 1256 Q HN 0.925 nan 8.270 nan 0.000 0.441 1257 G N 1.985 110.873 108.800 0.146 0.000 2.680 1257 G HA2 0.336 4.287 3.960 -0.016 0.000 0.290 1257 G HA3 0.336 4.287 3.960 -0.016 0.000 0.290 1257 G C -1.005 173.981 174.900 0.144 0.000 1.355 1257 G CA -0.612 44.572 45.100 0.140 0.000 0.903 1257 G HN 0.635 nan 8.290 nan 0.000 0.474 1275 S N 1.601 117.312 115.700 0.019 0.000 2.669 1275 S HA 0.707 5.167 4.470 -0.016 0.000 0.315 1275 S C -0.418 174.177 174.600 -0.008 0.000 1.106 1275 S CA -0.405 57.806 58.200 0.019 0.000 1.107 1275 S CB -0.107 63.109 63.200 0.026 0.000 0.990 1275 S HN 1.080 nan 8.310 nan 0.000 0.471 1276 V N 2.674 122.574 119.914 -0.023 0.000 2.881 1276 V HA 0.729 4.840 4.120 -0.016 0.000 0.316 1276 V C -0.658 175.390 176.094 -0.077 0.000 1.070 1276 V CA -0.993 61.277 62.300 -0.051 0.000 0.976 1276 V CB 1.946 33.730 31.823 -0.066 0.000 1.038 1276 V HN 0.792 nan 8.190 nan 0.000 0.446 1277 N N 3.274 121.929 118.700 -0.074 0.000 2.800 1277 N HA 0.435 5.165 4.740 -0.016 0.000 0.240 1277 N C -2.881 172.572 175.510 -0.096 0.000 1.096 1277 N CA -1.083 51.919 53.050 -0.081 0.000 0.877 1277 N CB 1.398 39.874 38.487 -0.018 0.000 1.138 1277 N HN 0.574 nan 8.380 nan 0.000 0.509 1278 P HA 0.216 nan 4.420 nan 0.000 0.272 1278 P C -0.426 176.861 177.300 -0.021 0.000 1.240 1278 P CA -0.543 62.488 63.100 -0.115 0.000 0.791 1278 P CB 1.167 32.722 31.700 -0.242 0.000 0.978 1279 L N 1.537 122.821 121.223 0.102 0.000 2.505 1279 L HA 0.485 4.815 4.340 -0.016 0.000 0.266 1279 L C -1.506 175.447 176.870 0.138 0.000 0.954 1279 L CA -0.603 54.333 54.840 0.160 0.000 0.852 1279 L CB 2.101 44.277 42.059 0.195 0.000 1.282 1279 L HN 0.057 nan 8.230 nan 0.000 0.403 1280 V N 3.677 123.601 119.914 0.016 0.000 2.656 1280 V HA 0.972 5.082 4.120 -0.016 0.000 0.307 1280 V C 0.233 176.068 176.094 -0.431 0.000 1.051 1280 V CA -0.112 62.058 62.300 -0.217 0.000 0.893 1280 V CB 1.693 33.440 31.823 -0.127 0.000 0.999 1280 V HN 0.913 nan 8.190 nan 0.000 0.426 1281 G N 2.995 111.169 108.800 -1.044 0.000 2.619 1281 G HA2 0.811 4.762 3.960 -0.016 0.000 0.296 1281 G HA3 0.811 4.762 3.960 -0.016 0.000 0.296 1281 G C -1.437 173.111 174.900 -0.587 0.000 1.334 1281 G CA -0.844 43.789 45.100 -0.778 0.000 0.934 1281 G HN 0.733 nan 8.290 nan 0.000 0.476 1282 R N -0.360 120.033 120.500 -0.178 0.000 2.626 1282 R HA 0.684 5.014 4.340 -0.016 0.000 0.274 1282 R C -1.265 175.108 176.300 0.121 0.000 1.031 1282 R CA -0.543 55.533 56.100 -0.041 0.000 0.898 1282 R CB 2.087 32.353 30.300 -0.056 0.000 1.222 1282 R HN 0.776 nan 8.270 nan 0.000 0.455 1283 T N 0.125 114.812 114.554 0.221 0.000 2.886 1283 T HA 0.863 5.203 4.350 -0.016 0.000 0.292 1283 T C -0.186 174.665 174.700 0.252 0.000 1.012 1283 T CA -0.457 61.783 62.100 0.233 0.000 0.982 1283 T CB 2.049 71.053 68.868 0.228 0.000 1.018 1283 T HN 0.807 nan 8.240 nan 0.000 0.451 1284 G N 0.446 109.379 108.800 0.221 0.000 2.488 1284 G HA2 0.588 4.538 3.960 -0.016 0.000 0.301 1284 G HA3 0.588 4.538 3.960 -0.016 0.000 0.301 1284 G C -2.015 172.891 174.900 0.009 0.000 1.339 1284 G CA -0.659 44.489 45.100 0.079 0.000 0.803 1284 G HN 1.027 nan 8.290 nan 0.000 0.482 1285 V N -0.366 119.426 119.914 -0.204 0.000 2.686 1285 V HA 0.666 4.777 4.120 -0.016 0.000 0.306 1285 V C -0.476 175.567 176.094 -0.085 0.000 1.065 1285 V CA -0.747 61.522 62.300 -0.052 0.000 0.894 1285 V CB 1.659 33.471 31.823 -0.019 0.000 1.004 1285 V HN 0.694 nan 8.190 nan 0.000 0.424 1286 V N 3.469 123.437 119.914 0.090 0.000 2.513 1286 V HA 0.724 4.834 4.120 -0.016 0.000 0.299 1286 V C 0.218 176.372 176.094 0.100 0.000 1.035 1286 V CA -0.266 62.104 62.300 0.117 0.000 0.889 1286 V CB 2.174 34.136 31.823 0.232 0.000 0.988 1286 V HN 1.062 nan 8.190 nan 0.000 0.440 1287 S N 3.054 118.737 115.700 -0.028 0.000 2.607 1287 S HA 0.969 5.429 4.470 -0.016 0.000 0.303 1287 S C -0.240 174.076 174.600 -0.473 0.000 1.086 1287 S CA -0.299 57.773 58.200 -0.213 0.000 0.995 1287 S CB 2.157 65.266 63.200 -0.151 0.000 1.084 1287 S HN 1.226 nan 8.310 nan 0.000 0.507 1288 G N 0.091 108.255 108.800 -1.060 0.000 2.696 1288 G HA2 0.598 4.548 3.960 -0.016 0.000 0.295 1288 G HA3 0.598 4.548 3.960 -0.016 0.000 0.295 1288 G C -1.847 172.546 174.900 -0.844 0.000 1.398 1288 G CA -0.936 43.475 45.100 -1.148 0.000 0.920 1288 G HN 0.761 nan 8.290 nan 0.000 0.492 1289 K N 0.292 120.423 120.400 -0.449 0.000 2.507 1289 K HA 0.676 4.986 4.320 -0.016 0.000 0.252 1289 K C -0.760 175.597 176.600 -0.404 0.000 0.943 1289 K CA -0.366 55.686 56.287 -0.392 0.000 0.808 1289 K CB 1.689 33.977 32.500 -0.353 0.000 1.142 1289 K HN 0.383 nan 8.250 nan 0.000 0.426 1290 T N 4.943 119.292 114.554 -0.343 0.000 2.771 1290 T HA 0.526 4.867 4.350 -0.016 0.000 0.281 1290 T C -0.778 173.669 174.700 -0.423 0.000 0.982 1290 T CA -0.275 61.695 62.100 -0.217 0.000 0.978 1290 T CB 0.030 68.901 68.868 0.006 0.000 0.930 1290 T HN 0.326 nan 8.240 nan 0.000 0.447 1291 F N 1.807 121.804 119.950 0.078 0.000 2.432 1291 F HA 0.714 5.233 4.527 -0.014 0.000 0.329 1291 F C 0.945 176.663 175.800 -0.138 0.000 1.076 1291 F CA -0.699 57.331 58.000 0.051 0.000 1.018 1291 F CB 1.683 40.818 39.000 0.225 0.000 1.201 1291 F HN 0.594 nan 8.300 nan 0.000 0.489 1292 S N -0.353 115.165 115.700 -0.303 0.000 2.596 1292 S HA 0.925 5.385 4.470 -0.016 0.000 0.270 1292 S C -0.713 173.124 174.600 -1.272 0.000 1.155 1292 S CA -0.547 57.092 58.200 -0.935 0.000 0.827 1292 S CB 1.621 64.541 63.200 -0.467 0.000 1.130 1292 S HN 1.006 nan 8.310 nan 0.000 0.467 1293 G N 0.172 107.930 108.800 -1.736 0.000 3.243 1293 G HA2 0.500 4.450 3.960 -0.016 0.000 0.248 1293 G HA3 0.500 4.450 3.960 -0.016 0.000 0.248 1293 G C -0.038 174.522 174.900 -0.565 0.000 1.267 1293 G CA -0.872 43.652 45.100 -0.960 0.000 0.906 1293 G HN 0.649 nan 8.290 nan 0.000 0.592 1294 K N -0.102 120.154 120.400 -0.241 0.000 2.097 1294 K HA -0.024 4.286 4.320 -0.016 0.000 0.206 1294 K C 0.267 176.810 176.600 -0.096 0.000 1.049 1294 K CA 1.690 57.910 56.287 -0.111 0.000 0.933 1294 K CB 0.084 32.581 32.500 -0.005 0.000 0.717 1294 K HN 0.570 nan 8.250 nan 0.000 0.442 1295 D N -1.161 119.207 120.400 -0.053 0.000 2.865 1295 D HA 0.028 4.659 4.640 -0.016 0.000 0.347 1295 D C -0.409 175.985 176.300 0.156 0.000 1.498 1295 D CA -0.624 53.401 54.000 0.041 0.000 0.787 1295 D CB -0.630 40.231 40.800 0.103 0.000 1.190 1295 D HN 0.282 nan 8.370 nan 0.000 0.445 1296 W N 0.269 121.575 121.300 0.009 0.000 3.137 1296 W HA 0.643 5.296 4.660 -0.011 0.000 0.324 1296 W C -1.548 174.942 176.519 -0.049 0.000 1.253 1296 W CA -1.198 56.118 57.345 -0.047 0.000 1.183 1296 W CB 0.836 30.268 29.460 -0.046 0.000 1.424 1296 W HN 0.004 nan 8.180 nan 0.000 0.566 1297 S N 1.488 117.325 115.700 0.229 0.000 2.564 1297 S HA 0.797 5.258 4.470 -0.016 0.000 0.274 1297 S C -2.038 172.763 174.600 0.335 0.000 1.124 1297 S CA -0.780 57.512 58.200 0.154 0.000 0.869 1297 S CB 2.438 65.629 63.200 -0.015 0.000 1.105 1297 S HN 0.815 nan 8.310 nan 0.000 0.472 1298 L N 1.741 123.209 121.223 0.409 0.000 2.439 1298 L HA 0.684 5.014 4.340 -0.016 0.000 0.270 1298 L C -0.960 176.090 176.870 0.300 0.000 0.972 1298 L CA 0.165 55.202 54.840 0.329 0.000 0.836 1298 L CB 2.058 44.352 42.059 0.392 0.000 1.255 1298 L HN 0.915 nan 8.230 nan 0.000 0.404 1299 T N 4.527 119.194 114.554 0.189 0.000 2.758 1299 T HA 0.772 5.113 4.350 -0.016 0.000 0.285 1299 T C -0.048 174.738 174.700 0.143 0.000 0.981 1299 T CA -0.193 61.998 62.100 0.152 0.000 0.965 1299 T CB 1.227 70.201 68.868 0.177 0.000 0.927 1299 T HN 0.785 nan 8.240 nan 0.000 0.448 1300 A N 4.623 127.520 122.820 0.129 0.000 2.331 1300 A HA 0.738 5.049 4.320 -0.016 0.000 0.283 1300 A C 0.198 177.795 177.584 0.020 0.000 1.142 1300 A CA -0.627 51.479 52.037 0.114 0.000 0.812 1300 A CB 0.471 19.587 19.000 0.193 0.000 1.074 1300 A HN 0.837 nan 8.150 nan 0.000 0.497 1301 R N 0.546 121.069 120.500 0.038 0.000 2.750 1301 R HA 0.743 5.073 4.340 -0.016 0.000 0.281 1301 R C -0.845 175.473 176.300 0.031 0.000 0.972 1301 R CA -0.455 55.654 56.100 0.015 0.000 0.912 1301 R CB 2.500 32.847 30.300 0.077 0.000 1.187 1301 R HN 0.863 nan 8.270 nan 0.000 0.464 1302 A N 0.830 123.660 122.820 0.016 0.000 2.422 1302 A HA 0.820 5.131 4.320 -0.016 0.000 0.302 1302 A C -0.843 176.773 177.584 0.054 0.000 1.041 1302 A CA -0.677 51.389 52.037 0.047 0.000 0.708 1302 A CB 1.990 21.007 19.000 0.030 0.000 1.257 1302 A HN 0.760 nan 8.150 nan 0.000 0.414 1303 G N -0.142 108.714 108.800 0.093 0.000 2.563 1303 G HA2 0.690 4.640 3.960 -0.016 0.000 0.302 1303 G HA3 0.690 4.640 3.960 -0.016 0.000 0.302 1303 G C -1.852 173.024 174.900 -0.040 0.000 1.301 1303 G CA -0.544 44.582 45.100 0.043 0.000 0.965 1303 G HN 1.337 nan 8.290 nan 0.000 0.480 1304 L N 1.232 122.252 121.223 -0.339 0.000 2.516 1304 L HA 0.623 4.954 4.340 -0.016 0.000 0.267 1304 L C -1.257 175.323 176.870 -0.484 0.000 0.957 1304 L CA -0.635 54.041 54.840 -0.273 0.000 0.860 1304 L CB 1.570 43.550 42.059 -0.131 0.000 1.265 1304 L HN 0.672 nan 8.230 nan 0.000 0.403 1305 H N 3.485 122.514 119.070 -0.068 0.000 2.851 1305 H HA 0.277 4.823 4.556 -0.017 0.000 0.372 1305 H C -1.792 173.568 175.328 0.054 0.000 1.158 1305 H CA -0.535 55.524 56.048 0.017 0.000 1.159 1305 H CB 2.224 31.994 29.762 0.013 0.000 1.757 1305 H HN 0.661 nan 8.280 nan 0.000 0.546 1306 Y N 1.468 121.834 120.300 0.110 0.000 2.313 1306 Y HA 0.267 4.808 4.550 -0.016 0.000 0.332 1306 Y C -0.170 175.808 175.900 0.130 0.000 1.071 1306 Y CA -0.157 58.010 58.100 0.112 0.000 1.169 1306 Y CB 1.041 39.564 38.460 0.105 0.000 1.192 1306 Y HN 0.644 nan 8.280 nan 0.000 0.487 1307 E N 6.546 126.402 120.200 -0.573 0.000 2.272 1307 E HA 0.401 4.742 4.350 -0.016 0.000 0.269 1307 E C -1.885 174.396 176.600 -0.531 0.000 0.877 1307 E CA -0.911 55.225 56.400 -0.440 0.000 0.755 1307 E CB 1.431 31.006 29.700 -0.207 0.000 1.192 1307 E HN 0.529 nan 8.360 nan 0.000 0.422 1308 F N 1.758 121.523 119.950 -0.309 0.000 2.603 1308 F HA 0.663 5.181 4.527 -0.016 0.000 0.317 1308 F C -1.359 174.429 175.800 -0.020 0.000 1.066 1308 F CA -1.024 56.878 58.000 -0.163 0.000 0.941 1308 F CB 1.541 40.500 39.000 -0.067 0.000 1.291 1308 F HN 0.267 nan 8.300 nan 0.000 0.472 1309 D N 2.358 122.930 120.400 0.287 0.000 2.859 1309 D HA 0.479 5.109 4.640 -0.016 0.000 0.223 1309 D C -1.822 174.670 176.300 0.320 0.000 1.218 1309 D CA -0.435 53.704 54.000 0.230 0.000 0.850 1309 D CB 2.474 43.357 40.800 0.139 0.000 1.656 1309 D HN 0.750 nan 8.370 nan 0.000 0.484 1310 L N 1.576 122.979 121.223 0.300 0.000 2.356 1310 L HA 0.302 4.632 4.340 -0.016 0.000 0.277 1310 L C 1.845 178.757 176.870 0.072 0.000 0.996 1310 L CA -0.739 54.200 54.840 0.166 0.000 0.822 1310 L CB 2.133 44.288 42.059 0.160 0.000 1.256 1310 L HN 0.636 nan 8.230 nan 0.000 0.413 1311 T N -2.384 112.041 114.554 -0.214 0.000 2.867 1311 T HA -0.062 4.278 4.350 -0.016 0.000 0.268 1311 T C 0.402 174.981 174.700 -0.202 0.000 1.057 1311 T CA 0.894 62.668 62.100 -0.544 0.000 1.136 1311 T CB 0.026 68.471 68.868 -0.706 0.000 0.874 1311 T HN 0.455 nan 8.240 nan 0.000 0.466 1312 D N 0.871 121.204 120.400 -0.112 0.000 2.855 1312 D HA 0.450 5.080 4.640 -0.016 0.000 0.241 1312 D C -0.383 175.899 176.300 -0.030 0.000 1.277 1312 D CA -0.432 53.525 54.000 -0.071 0.000 0.918 1312 D CB 2.212 42.962 40.800 -0.083 0.000 1.462 1312 D HN 0.391 nan 8.370 nan 0.000 0.559 1331 K N 1.274 121.687 120.400 0.022 0.000 2.207 1331 K HA 0.382 4.692 4.320 -0.016 0.000 0.255 1331 K C -1.680 174.981 176.600 0.102 0.000 0.941 1331 K CA -0.470 55.860 56.287 0.071 0.000 0.825 1331 K CB 1.811 34.342 32.500 0.052 0.000 1.119 1331 K HN 0.044 nan 8.250 nan 0.000 0.430 1332 D N 0.584 121.075 120.400 0.152 0.000 2.583 1332 D HA 0.508 5.139 4.640 -0.016 0.000 0.248 1332 D C -1.819 174.587 176.300 0.178 0.000 1.209 1332 D CA -0.130 53.967 54.000 0.161 0.000 0.848 1332 D CB 2.156 43.061 40.800 0.176 0.000 1.431 1332 D HN 0.614 nan 8.370 nan 0.000 0.436 1333 S N 0.208 116.003 115.700 0.159 0.000 2.587 1333 S HA 0.878 5.339 4.470 -0.016 0.000 0.269 1333 S C -1.168 173.501 174.600 0.116 0.000 1.154 1333 S CA -1.065 57.184 58.200 0.083 0.000 0.824 1333 S CB 2.213 65.496 63.200 0.138 0.000 1.118 1333 S HN 0.794 nan 8.310 nan 0.000 0.462 1334 R N -0.138 120.382 120.500 0.033 0.000 2.712 1334 R HA 0.593 4.923 4.340 -0.016 0.000 0.272 1334 R C -1.729 174.671 176.300 0.167 0.000 1.032 1334 R CA -1.079 55.131 56.100 0.184 0.000 0.874 1334 R CB 0.702 31.094 30.300 0.153 0.000 1.256 1334 R HN 0.519 nan 8.270 nan 0.000 0.468 1335 M N 2.289 122.068 119.600 0.298 0.000 2.209 1335 M HA 0.418 4.888 4.480 -0.016 0.000 0.355 1335 M C -0.661 175.591 176.300 -0.080 0.000 1.171 1335 M CA -0.762 54.601 55.300 0.105 0.000 1.069 1335 M CB 0.993 33.684 32.600 0.153 0.000 1.622 1335 M HN 0.552 nan 8.290 nan 0.000 0.459 1336 L N 3.905 125.045 121.223 -0.139 0.000 2.317 1336 L HA 0.486 4.817 4.340 -0.016 0.000 0.281 1336 L C -1.277 175.486 176.870 -0.178 0.000 1.024 1336 L CA -0.561 54.251 54.840 -0.046 0.000 0.810 1336 L CB 1.108 43.208 42.059 0.068 0.000 1.240 1336 L HN 0.528 nan 8.230 nan 0.000 0.427 1337 Y N 1.035 121.427 120.300 0.153 0.000 2.361 1337 Y HA 0.709 5.249 4.550 -0.016 0.000 0.337 1337 Y C 0.484 176.455 175.900 0.119 0.000 0.965 1337 Y CA -0.844 57.334 58.100 0.130 0.000 1.091 1337 Y CB 2.291 40.800 38.460 0.081 0.000 1.182 1337 Y HN 0.539 nan 8.280 nan 0.000 0.450 1338 G N 1.238 110.190 108.800 0.254 0.000 2.620 1338 G HA2 0.654 4.605 3.960 -0.016 0.000 0.301 1338 G HA3 0.654 4.605 3.960 -0.016 0.000 0.301 1338 G C -1.580 173.407 174.900 0.144 0.000 1.347 1338 G CA -0.984 44.225 45.100 0.183 0.000 0.971 1338 G HN 0.706 nan 8.290 nan 0.000 0.488 1339 V N -0.956 119.022 119.914 0.108 0.000 2.823 1339 V HA 1.067 5.178 4.120 -0.016 0.000 0.312 1339 V C 0.210 176.349 176.094 0.075 0.000 1.072 1339 V CA -0.162 62.189 62.300 0.085 0.000 0.937 1339 V CB 1.474 33.339 31.823 0.070 0.000 1.013 1339 V HN 1.646 nan 8.190 nan 0.000 0.430 1340 G N 2.241 111.084 108.800 0.071 0.000 2.600 1340 G HA2 0.796 4.746 3.960 -0.016 0.000 0.293 1340 G HA3 0.796 4.746 3.960 -0.016 0.000 0.293 1340 G C -1.707 173.235 174.900 0.070 0.000 1.408 1340 G CA -0.301 44.839 45.100 0.066 0.000 0.782 1340 G HN 1.783 nan 8.290 nan 0.000 0.482 1341 L N -2.322 118.942 121.223 0.067 0.000 2.424 1341 L HA 0.829 5.159 4.340 -0.016 0.000 0.258 1341 L C -1.246 175.662 176.870 0.063 0.000 0.995 1341 L CA -1.143 53.744 54.840 0.077 0.000 0.821 1341 L CB 2.300 44.408 42.059 0.082 0.000 1.383 1341 L HN 0.316 nan 8.230 nan 0.000 0.410 1342 N N 1.210 119.950 118.700 0.066 0.000 2.296 1342 N HA 0.833 5.563 4.740 -0.016 0.000 0.294 1342 N C -1.263 174.261 175.510 0.024 0.000 1.033 1342 N CA -0.278 52.795 53.050 0.037 0.000 0.839 1342 N CB 2.351 40.851 38.487 0.023 0.000 1.395 1342 N HN 1.070 nan 8.380 nan 0.000 0.479 1343 A N 2.127 124.933 122.820 -0.023 0.000 2.374 1343 A HA 0.775 5.085 4.320 -0.016 0.000 0.317 1343 A C -0.455 176.986 177.584 -0.239 0.000 1.094 1343 A CA -0.705 51.233 52.037 -0.164 0.000 0.765 1343 A CB 1.420 20.239 19.000 -0.302 0.000 1.268 1343 A HN 0.587 nan 8.150 nan 0.000 0.438 1344 R N 0.621 120.941 120.500 -0.300 0.000 2.534 1344 R HA 0.550 4.880 4.340 -0.016 0.000 0.301 1344 R C -1.927 174.171 176.300 -0.337 0.000 0.961 1344 R CA -0.257 55.725 56.100 -0.196 0.000 0.871 1344 R CB 1.662 31.937 30.300 -0.042 0.000 1.170 1344 R HN 0.574 nan 8.270 nan 0.000 0.446 1345 F N 1.683 121.722 119.950 0.148 0.000 2.382 1345 F HA 0.395 4.911 4.527 -0.017 0.000 0.361 1345 F C 1.258 177.137 175.800 0.131 0.000 1.109 1345 F CA -0.169 57.925 58.000 0.156 0.000 1.031 1345 F CB 1.547 40.618 39.000 0.117 0.000 1.234 1345 F HN 0.900 nan 8.300 nan 0.000 0.445 1346 G N 3.105 112.064 108.800 0.265 0.000 2.574 1346 G HA2 -0.355 3.595 3.960 -0.016 0.000 0.282 1346 G HA3 -0.355 3.595 3.960 -0.016 0.000 0.282 1346 G C 0.484 175.460 174.900 0.127 0.000 1.257 1346 G CA 0.594 45.800 45.100 0.177 0.000 0.956 1346 G HN 0.524 nan 8.290 nan 0.000 0.560 1347 D N 0.268 120.727 120.400 0.099 0.000 2.346 1347 D HA 0.159 4.790 4.640 -0.016 0.000 0.206 1347 D C 2.165 178.484 176.300 0.031 0.000 1.001 1347 D CA 0.881 54.914 54.000 0.055 0.000 0.871 1347 D CB 0.062 40.885 40.800 0.038 0.000 0.943 1347 D HN 0.398 nan 8.370 nan 0.000 0.518 1348 N N -1.714 117.014 118.700 0.047 0.000 2.317 1348 N HA 0.093 4.824 4.740 -0.016 0.000 0.199 1348 N C -0.495 175.008 175.510 -0.013 0.000 1.145 1348 N CA 0.279 53.278 53.050 -0.085 0.000 0.882 1348 N CB 1.175 39.563 38.487 -0.165 0.000 1.113 1348 N HN -0.175 nan 8.380 nan 0.000 0.486 1349 T N 0.815 115.481 114.554 0.186 0.000 2.841 1349 T HA 0.520 4.860 4.350 -0.016 0.000 0.283 1349 T C -0.500 174.402 174.700 0.336 0.000 1.000 1349 T CA -0.558 61.724 62.100 0.303 0.000 0.977 1349 T CB 1.977 71.059 68.868 0.356 0.000 0.979 1349 T HN -0.044 nan 8.240 nan 0.000 0.446 1350 R N 1.374 122.037 120.500 0.271 0.000 2.807 1350 R HA 0.765 5.096 4.340 -0.016 0.000 0.276 1350 R C -1.544 174.900 176.300 0.241 0.000 0.979 1350 R CA -1.019 55.210 56.100 0.215 0.000 0.928 1350 R CB 2.021 32.370 30.300 0.081 0.000 1.191 1350 R HN 0.388 nan 8.270 nan 0.000 0.471 1351 L N 0.082 121.439 121.223 0.224 0.000 2.408 1351 L HA 0.780 5.110 4.340 -0.016 0.000 0.268 1351 L C -0.940 175.990 176.870 0.101 0.000 0.986 1351 L CA -0.082 54.876 54.840 0.197 0.000 0.820 1351 L CB 2.370 44.617 42.059 0.313 0.000 1.303 1351 L HN 0.706 nan 8.230 nan 0.000 0.411 1352 G N 4.747 113.587 108.800 0.068 0.000 2.542 1352 G HA2 0.652 4.603 3.960 -0.016 0.000 0.311 1352 G HA3 0.652 4.603 3.960 -0.016 0.000 0.311 1352 G C -2.167 172.757 174.900 0.040 0.000 1.298 1352 G CA -0.493 44.626 45.100 0.032 0.000 0.973 1352 G HN 0.654 nan 8.290 nan 0.000 0.487 1353 L N 1.003 122.249 121.223 0.040 0.000 2.455 1353 L HA 0.785 5.115 4.340 -0.016 0.000 0.264 1353 L C -1.403 175.491 176.870 0.039 0.000 0.968 1353 L CA -0.661 54.205 54.840 0.042 0.000 0.827 1353 L CB 2.182 44.271 42.059 0.051 0.000 1.317 1353 L HN 0.777 nan 8.230 nan 0.000 0.407 1354 E N 3.159 123.382 120.200 0.038 0.000 2.321 1354 E HA 0.587 4.928 4.350 -0.016 0.000 0.278 1354 E C -1.688 174.941 176.600 0.048 0.000 0.902 1354 E CA -0.617 55.810 56.400 0.044 0.000 0.758 1354 E CB 2.714 32.435 29.700 0.034 0.000 1.213 1354 E HN 0.468 nan 8.360 nan 0.000 0.426 1355 V N 0.642 120.589 119.914 0.056 0.000 2.715 1355 V HA 0.786 4.897 4.120 -0.016 0.000 0.310 1355 V C -0.641 175.499 176.094 0.075 0.000 1.054 1355 V CA -0.480 61.853 62.300 0.057 0.000 0.928 1355 V CB 1.745 33.594 31.823 0.044 0.000 1.007 1355 V HN 0.846 nan 8.190 nan 0.000 0.437 1356 E N 2.584 122.833 120.200 0.080 0.000 2.408 1356 E HA 0.716 5.056 4.350 -0.016 0.000 0.275 1356 E C -1.290 175.374 176.600 0.107 0.000 0.935 1356 E CA -1.034 55.429 56.400 0.106 0.000 0.775 1356 E CB 2.620 32.378 29.700 0.097 0.000 1.277 1356 E HN 0.941 nan 8.360 nan 0.000 0.455 1357 R N 1.219 121.808 120.500 0.148 0.000 2.710 1357 R HA 0.483 4.814 4.340 -0.016 0.000 0.270 1357 R C -1.637 174.789 176.300 0.211 0.000 1.021 1357 R CA -0.399 55.779 56.100 0.129 0.000 0.889 1357 R CB 1.791 32.134 30.300 0.072 0.000 1.243 1357 R HN 0.632 nan 8.270 nan 0.000 0.464 1358 S N 1.274 117.063 115.700 0.149 0.000 2.638 1358 S HA 0.937 5.397 4.470 -0.016 0.000 0.302 1358 S C -1.039 173.631 174.600 0.117 0.000 1.096 1358 S CA -0.493 57.820 58.200 0.189 0.000 0.953 1358 S CB 2.215 65.488 63.200 0.122 0.000 1.107 1358 S HN 0.834 nan 8.310 nan 0.000 0.503 1359 A N 0.067 122.959 122.820 0.121 0.000 2.556 1359 A HA 0.844 5.154 4.320 -0.016 0.000 0.294 1359 A C -0.437 177.054 177.584 -0.154 0.000 1.091 1359 A CA -0.740 51.162 52.037 -0.225 0.000 0.704 1359 A CB -0.052 18.568 19.000 -0.633 0.000 1.300 1359 A HN 1.551 nan 8.150 nan 0.000 0.406 1360 F N -1.463 118.568 119.950 0.135 0.000 2.517 1360 F HA -0.198 4.321 4.527 -0.014 0.000 0.434 1360 F C 1.247 177.116 175.800 0.115 0.000 0.564 1360 F CA 0.726 58.801 58.000 0.125 0.000 1.414 1360 F CB -1.677 37.413 39.000 0.149 0.000 2.009 1360 F HN 1.058 nan 8.300 nan 0.000 0.274 1361 G N 0.639 109.572 108.800 0.221 0.000 2.569 1361 G HA2 0.390 4.340 3.960 -0.016 0.000 0.249 1361 G HA3 0.390 4.340 3.960 -0.016 0.000 0.249 1361 G C 0.846 175.840 174.900 0.158 0.000 1.216 1361 G CA -0.177 45.038 45.100 0.192 0.000 0.845 1361 G HN 0.217 nan 8.290 nan 0.000 0.568 1362 K N -0.347 120.152 120.400 0.164 0.000 2.025 1362 K HA -0.091 4.219 4.320 -0.016 0.000 0.207 1362 K C 0.294 176.988 176.600 0.158 0.000 1.049 1362 K CA 0.841 57.212 56.287 0.141 0.000 0.933 1362 K CB -0.032 32.548 32.500 0.132 0.000 0.714 1362 K HN 0.541 nan 8.250 nan 0.000 0.438 1363 Y N 2.190 122.528 120.300 0.064 0.000 2.326 1363 Y HA 0.208 4.749 4.550 -0.015 0.000 0.337 1363 Y C -0.554 175.397 175.900 0.085 0.000 1.023 1363 Y CA -0.748 57.387 58.100 0.059 0.000 1.143 1363 Y CB 0.707 39.175 38.460 0.014 0.000 1.183 1363 Y HN -0.049 nan 8.280 nan 0.000 0.485 1364 N N 3.300 121.711 118.700 -0.481 0.000 2.292 1364 N HA 0.244 4.975 4.740 -0.016 0.000 0.303 1364 N C -1.286 173.936 175.510 -0.480 0.000 1.140 1364 N CA -0.703 52.158 53.050 -0.314 0.000 0.788 1364 N CB 2.080 40.491 38.487 -0.126 0.000 1.361 1364 N HN 0.552 nan 8.380 nan 0.000 0.489 1365 T N 1.134 115.595 114.554 -0.155 0.000 2.737 1365 T HA 0.117 4.458 4.350 -0.016 0.000 0.296 1365 T C 0.641 175.329 174.700 -0.019 0.000 0.922 1365 T CA -0.183 61.907 62.100 -0.018 0.000 1.079 1365 T CB 0.544 69.481 68.868 0.115 0.000 0.892 1365 T HN 0.307 nan 8.240 nan 0.000 0.514 1366 D N 2.644 123.026 120.400 -0.030 0.000 2.213 1366 D HA 0.055 4.686 4.640 -0.016 0.000 0.205 1366 D C 0.312 176.603 176.300 -0.015 0.000 0.961 1366 D CA 0.841 54.821 54.000 -0.032 0.000 0.853 1366 D CB 0.365 41.138 40.800 -0.045 0.000 0.967 1366 D HN 0.786 nan 8.370 nan 0.000 0.496 1367 D N -1.239 119.159 120.400 -0.004 0.000 2.745 1367 D HA 0.575 5.205 4.640 -0.016 0.000 0.221 1367 D C -1.437 174.868 176.300 0.008 0.000 1.237 1367 D CA -0.975 53.024 54.000 -0.002 0.000 0.781 1367 D CB 1.547 42.327 40.800 -0.033 0.000 1.575 1367 D HN 0.002 nan 8.370 nan 0.000 0.482 1368 A N 1.395 124.236 122.820 0.035 0.000 2.517 1368 A HA 0.687 4.998 4.320 -0.016 0.000 0.297 1368 A C -1.464 176.149 177.584 0.049 0.000 1.050 1368 A CA -0.803 51.267 52.037 0.056 0.000 0.694 1368 A CB 1.117 20.204 19.000 0.144 0.000 1.277 1368 A HN 0.600 nan 8.150 nan 0.000 0.400 1369 I N 1.925 122.518 120.570 0.039 0.000 2.418 1369 I HA 0.360 4.520 4.170 -0.016 0.000 0.287 1369 I C -0.334 175.813 176.117 0.052 0.000 1.008 1369 I CA -0.611 60.712 61.300 0.038 0.000 1.104 1369 I CB 2.098 40.111 38.000 0.021 0.000 1.264 1369 I HN 0.740 nan 8.210 nan 0.000 0.438 1370 N N 4.500 123.230 118.700 0.050 0.000 2.362 1370 N HA 0.788 5.518 4.740 -0.016 0.000 0.298 1370 N C -1.235 174.299 175.510 0.040 0.000 1.048 1370 N CA -0.284 52.795 53.050 0.048 0.000 0.858 1370 N CB 1.819 40.327 38.487 0.035 0.000 1.218 1370 N HN 0.780 nan 8.380 nan 0.000 0.488 1371 A N 2.378 125.225 122.820 0.046 0.000 2.475 1371 A HA 0.702 5.012 4.320 -0.016 0.000 0.301 1371 A C -1.399 176.221 177.584 0.060 0.000 1.059 1371 A CA -0.780 51.287 52.037 0.050 0.000 0.710 1371 A CB 1.004 20.036 19.000 0.054 0.000 1.288 1371 A HN 0.926 nan 8.150 nan 0.000 0.408 1372 N N -0.245 118.492 118.700 0.061 0.000 2.396 1372 N HA 0.693 5.424 4.740 -0.016 0.000 0.275 1372 N C -1.554 174.022 175.510 0.110 0.000 1.218 1372 N CA -0.637 52.468 53.050 0.090 0.000 0.812 1372 N CB 1.269 39.772 38.487 0.027 0.000 1.592 1372 N HN 0.346 nan 8.380 nan 0.000 0.480 1373 I N -0.007 120.660 120.570 0.161 0.000 2.582 1373 I HA 0.484 4.644 4.170 -0.016 0.000 0.292 1373 I C -0.413 175.845 176.117 0.235 0.000 1.066 1373 I CA -0.447 60.958 61.300 0.176 0.000 1.053 1373 I CB 1.635 39.729 38.000 0.157 0.000 1.241 1373 I HN 0.754 nan 8.210 nan 0.000 0.421 1374 R N 4.725 125.359 120.500 0.224 0.000 2.480 1374 R HA 0.418 4.748 4.340 -0.016 0.000 0.306 1374 R C -1.989 174.491 176.300 0.301 0.000 0.958 1374 R CA -0.591 55.668 56.100 0.265 0.000 0.861 1374 R CB 1.849 32.236 30.300 0.145 0.000 1.171 1374 R HN 0.558 nan 8.270 nan 0.000 0.445 1375 Y N 2.434 122.871 120.300 0.229 0.000 2.335 1375 Y HA 0.386 4.926 4.550 -0.016 0.000 0.339 1375 Y C -1.092 175.024 175.900 0.359 0.000 0.987 1375 Y CA -0.033 58.219 58.100 0.253 0.000 1.140 1375 Y CB 1.640 40.222 38.460 0.203 0.000 1.173 1375 Y HN 0.518 nan 8.280 nan 0.000 0.486 1376 S N 6.961 122.541 115.700 -0.200 0.000 2.500 1376 S HA 0.732 5.192 4.470 -0.016 0.000 0.301 1376 S C -1.549 172.933 174.600 -0.196 0.000 1.092 1376 S CA -0.597 57.535 58.200 -0.114 0.000 1.030 1376 S CB 0.863 64.029 63.200 -0.056 0.000 1.031 1376 S HN 0.541 nan 8.310 nan 0.000 0.483 1377 F N -0.035 119.803 119.950 -0.186 0.000 2.596 1377 F HA 0.665 5.183 4.527 -0.016 0.000 0.311 1377 F C -1.506 174.269 175.800 -0.041 0.000 1.116 1377 F CA -1.377 56.542 58.000 -0.135 0.000 0.957 1377 F CB 0.458 39.434 39.000 -0.039 0.000 1.250 1377 F HN 0.297 nan 8.300 nan 0.000 0.444 1378 L N 2.931 124.199 121.223 0.074 0.000 2.371 1378 L HA 0.389 4.719 4.340 -0.016 0.000 0.272 1378 L C 0.619 177.555 176.870 0.111 0.000 1.124 1378 L CA -0.478 54.382 54.840 0.033 0.000 0.816 1378 L CB 1.230 43.307 42.059 0.029 0.000 1.129 1378 L HN 0.887 nan 8.230 nan 0.000 0.448 1379 E N 0.000 120.239 120.200 0.066 0.000 2.725 1379 E HA 0.000 4.340 4.350 -0.016 0.000 0.291 1379 E CA 0.000 56.460 56.400 0.100 0.000 0.976 1379 E CB 0.000 29.730 29.700 0.051 0.000 0.812 1379 E HN 0.000 nan 8.360 nan 0.000 0.440