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 2xb7_1_A DATA FIRST_RESID 1095 DATA SEQUENCE NYCFAGKTSS ISDLKEVPRK NITLIRGLGH GAFGEVYEGQ VSXXXXXXXP DATA SEQUENCE LQVAVKTLPE VCSEQDELDF LMEALIISKF NHQNIVRCIG VSLQSLPRFI DATA SEQUENCE LLELMAGGDL KSFLRETRPR PSQPSSLAML DLLHVARDIA CGCQYLEENH DATA SEQUENCE FIHRDIAARN CLLTCPGPGR VAKIGDFGMA XXXXXXXXXX XXXXAMLPVK DATA SEQUENCE WMPPEAFMEG IFTSKTDTWS FGVLLWEIFS LGYMPYPSKS NQEVLEFVTS DATA SEQUENCE GGRMDPPKNC PGPVYRIMTQ CWQHQPEDRP NFAIILERIE YCTQDPDVIN DATA SEQUENCE TALPIEY 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 1095 N HA 0.000 nan 4.740 nan 0.000 0.220 1095 N C 0.000 175.585 175.510 0.125 0.000 1.280 1095 N CA 0.000 53.101 53.050 0.085 0.000 0.885 1095 N CB 0.000 38.537 38.487 0.084 0.000 1.341 1096 Y N 3.179 123.486 120.300 0.012 0.000 2.334 1096 Y HA 0.595 4.997 4.550 -0.247 0.000 0.328 1096 Y C -0.897 175.028 175.900 0.042 0.000 1.130 1096 Y CA -0.692 57.421 58.100 0.022 0.000 1.163 1096 Y CB 0.907 39.366 38.460 -0.003 0.000 1.207 1096 Y HN 0.051 nan 8.280 nan 0.000 0.471 1097 C N 7.153 126.008 119.300 -0.743 0.000 2.408 1097 C HA 0.723 5.034 4.460 -0.249 0.000 0.321 1097 C C -1.073 173.502 174.990 -0.691 0.000 1.245 1097 C CA -1.153 57.544 59.018 -0.535 0.000 1.523 1097 C CB -0.236 27.364 27.740 -0.234 0.000 2.178 1097 C HN 0.821 nan 8.230 nan 0.000 0.488 1098 F N 1.189 120.828 119.950 -0.518 0.000 2.672 1098 F HA 0.608 4.986 4.527 -0.247 0.000 0.311 1098 F C 0.372 176.122 175.800 -0.083 0.000 1.113 1098 F CA 0.567 58.409 58.000 -0.264 0.000 0.996 1098 F CB 1.192 40.075 39.000 -0.195 0.000 1.286 1098 F HN 1.088 nan 8.300 nan 0.000 0.441 1099 A N 2.828 125.015 122.820 -1.055 0.000 2.861 1099 A HA 0.128 4.299 4.320 -0.249 0.000 0.261 1099 A C 1.999 179.428 177.584 -0.259 0.000 1.351 1099 A CA 2.411 54.033 52.037 -0.690 0.000 0.904 1099 A CB -2.275 16.440 19.000 -0.475 0.000 1.076 1099 A HN 2.937 nan 8.150 nan 0.000 0.729 1100 G N -1.737 106.941 108.800 -0.204 0.000 3.211 1100 G HA2 -0.206 3.605 3.960 -0.249 0.000 0.206 1100 G HA3 -0.206 3.605 3.960 -0.249 0.000 0.206 1100 G C 0.216 175.066 174.900 -0.083 0.000 1.418 1100 G CA 0.412 45.445 45.100 -0.112 0.000 0.958 1100 G HN 1.189 nan 8.290 nan 0.000 0.567 1101 K N 2.372 122.740 120.400 -0.054 0.000 2.518 1101 K HA 0.387 4.558 4.320 -0.249 0.000 0.276 1101 K C 0.110 176.685 176.600 -0.042 0.000 0.974 1101 K CA 0.885 57.159 56.287 -0.023 0.000 0.986 1101 K CB 0.116 32.627 32.500 0.019 0.000 0.901 1101 K HN 0.513 nan 8.250 nan 0.000 0.497 1102 T N 0.594 115.130 114.554 -0.030 0.000 2.823 1102 T HA 0.447 4.648 4.350 -0.249 0.000 0.279 1102 T C 0.078 174.782 174.700 0.006 0.000 0.998 1102 T CA -0.846 61.231 62.100 -0.039 0.000 0.994 1102 T CB 1.360 70.210 68.868 -0.030 0.000 0.960 1102 T HN 0.616 nan 8.240 nan 0.000 0.448 1103 S N 1.078 116.800 115.700 0.036 0.000 2.697 1103 S HA 0.927 5.247 4.470 -0.249 0.000 0.289 1103 S C -0.662 173.988 174.600 0.084 0.000 1.149 1103 S CA -0.728 57.513 58.200 0.068 0.000 0.850 1103 S CB 1.949 65.207 63.200 0.097 0.000 1.151 1103 S HN 1.059 nan 8.310 nan 0.000 0.491 1104 S N -0.102 115.635 115.700 0.062 0.000 2.671 1104 S HA 0.505 4.826 4.470 -0.249 0.000 0.277 1104 S C 0.754 175.374 174.600 0.033 0.000 1.165 1104 S CA -0.534 57.697 58.200 0.052 0.000 0.822 1104 S CB 0.531 63.754 63.200 0.038 0.000 1.150 1104 S HN 1.141 nan 8.310 nan 0.000 0.479 1105 I N 1.890 122.476 120.570 0.026 0.000 2.229 1105 I HA -0.253 3.767 4.170 -0.249 0.000 0.250 1105 I C 2.377 178.502 176.117 0.015 0.000 1.096 1105 I CA 2.486 63.796 61.300 0.017 0.000 1.358 1105 I CB -0.426 37.586 38.000 0.021 0.000 1.047 1105 I HN 0.924 nan 8.210 nan 0.000 0.422 1106 S N -0.212 115.498 115.700 0.017 0.000 2.440 1106 S HA -0.228 4.092 4.470 -0.249 0.000 0.240 1106 S C 1.386 175.993 174.600 0.013 0.000 1.014 1106 S CA 1.592 59.800 58.200 0.014 0.000 0.980 1106 S CB -0.536 62.672 63.200 0.014 0.000 0.775 1106 S HN 0.569 nan 8.310 nan 0.000 0.499 1107 D N 0.836 121.244 120.400 0.014 0.000 2.339 1107 D HA 0.267 4.758 4.640 -0.249 0.000 0.217 1107 D C 0.097 176.398 176.300 0.003 0.000 1.050 1107 D CA 0.091 54.098 54.000 0.012 0.000 0.856 1107 D CB 0.197 41.009 40.800 0.020 0.000 0.922 1107 D HN 0.449 nan 8.370 nan 0.000 0.518 1108 L N 1.375 122.597 121.223 -0.001 0.000 2.357 1108 L HA 0.206 4.397 4.340 -0.249 0.000 0.273 1108 L C 0.576 177.446 176.870 0.001 0.000 1.080 1108 L CA -0.852 53.983 54.840 -0.008 0.000 0.803 1108 L CB 0.915 42.966 42.059 -0.013 0.000 1.174 1108 L HN -0.406 nan 8.230 nan 0.000 0.443 1109 K N 2.365 122.765 120.400 0.001 0.000 2.336 1109 K HA 0.090 4.260 4.320 -0.249 0.000 0.290 1109 K C -0.246 176.364 176.600 0.017 0.000 1.067 1109 K CA -0.134 56.158 56.287 0.008 0.000 0.962 1109 K CB 0.287 32.791 32.500 0.007 0.000 1.008 1109 K HN 0.383 nan 8.250 nan 0.000 0.467 1110 E N 2.641 122.852 120.200 0.019 0.000 2.217 1110 E HA 0.080 4.281 4.350 -0.249 0.000 0.279 1110 E C -0.864 175.753 176.600 0.029 0.000 1.068 1110 E CA -0.340 56.076 56.400 0.026 0.000 0.882 1110 E CB 0.545 30.256 29.700 0.019 0.000 1.039 1110 E HN 0.201 nan 8.360 nan 0.000 0.418 1111 V N 7.826 127.766 119.914 0.043 0.000 2.465 1111 V HA 0.307 4.277 4.120 -0.249 0.000 0.279 1111 V C -2.006 174.115 176.094 0.045 0.000 1.045 1111 V CA -1.933 60.394 62.300 0.046 0.000 0.938 1111 V CB 1.256 33.116 31.823 0.061 0.000 0.986 1111 V HN 0.790 nan 8.190 nan 0.000 0.467 1112 P HA 0.145 nan 4.420 nan 0.000 0.267 1112 P C 0.522 177.842 177.300 0.033 0.000 1.205 1112 P CA -0.266 62.848 63.100 0.023 0.000 0.765 1112 P CB 0.585 32.295 31.700 0.016 0.000 0.828 1113 R N 5.811 126.322 120.500 0.018 0.000 2.117 1113 R HA -0.210 3.981 4.340 -0.249 0.000 0.243 1113 R C 1.806 178.130 176.300 0.041 0.000 1.143 1113 R CA 2.142 58.257 56.100 0.026 0.000 0.968 1113 R CB -0.708 29.569 30.300 -0.039 0.000 0.863 1113 R HN 0.471 nan 8.270 nan 0.000 0.444 1114 K N -0.886 119.527 120.400 0.022 0.000 2.360 1114 K HA -0.079 4.092 4.320 -0.249 0.000 0.201 1114 K C 0.642 177.259 176.600 0.030 0.000 1.046 1114 K CA 1.609 57.909 56.287 0.021 0.000 0.945 1114 K CB -0.128 32.378 32.500 0.010 0.000 0.750 1114 K HN 0.095 nan 8.250 nan 0.000 0.464 1115 N N 0.659 119.381 118.700 0.037 0.000 2.383 1115 N HA 0.159 4.749 4.740 -0.249 0.000 0.192 1115 N C -0.566 174.972 175.510 0.047 0.000 1.141 1115 N CA 0.372 53.444 53.050 0.035 0.000 0.851 1115 N CB 0.224 38.730 38.487 0.032 0.000 0.976 1115 N HN 0.266 nan 8.380 nan 0.000 0.465 1116 I N 0.572 121.184 120.570 0.070 0.000 2.382 1116 I HA 0.175 4.195 4.170 -0.249 0.000 0.285 1116 I C -0.428 175.732 176.117 0.071 0.000 1.007 1116 I CA -0.380 60.972 61.300 0.088 0.000 1.142 1116 I CB 1.563 39.676 38.000 0.187 0.000 1.289 1116 I HN -0.253 nan 8.210 nan 0.000 0.453 1117 T N 6.905 121.475 114.554 0.026 0.000 2.767 1117 T HA 0.524 4.724 4.350 -0.249 0.000 0.284 1117 T C 0.125 174.804 174.700 -0.034 0.000 0.973 1117 T CA -0.538 61.565 62.100 0.005 0.000 0.996 1117 T CB 0.910 69.779 68.868 0.003 0.000 0.927 1117 T HN 0.261 nan 8.240 nan 0.000 0.456 1118 L N 3.739 124.921 121.223 -0.067 0.000 2.395 1118 L HA 0.450 4.640 4.340 -0.249 0.000 0.269 1118 L C 0.899 177.745 176.870 -0.040 0.000 1.133 1118 L CA -0.380 54.389 54.840 -0.117 0.000 0.812 1118 L CB 0.586 42.470 42.059 -0.291 0.000 1.125 1118 L HN 0.685 nan 8.230 nan 0.000 0.452 1119 I N 0.479 121.054 120.570 0.010 0.000 3.650 1119 I HA 0.158 4.178 4.170 -0.249 0.000 0.261 1119 I C 0.438 176.596 176.117 0.068 0.000 1.154 1119 I CA -0.011 61.307 61.300 0.031 0.000 1.418 1119 I CB 0.574 38.587 38.000 0.023 0.000 1.539 1119 I HN 0.665 nan 8.210 nan 0.000 0.449 1120 R N 0.933 121.499 120.500 0.109 0.000 2.710 1120 R HA 0.574 4.765 4.340 -0.249 0.000 0.270 1120 R C -0.730 175.667 176.300 0.162 0.000 1.021 1120 R CA -0.699 55.476 56.100 0.125 0.000 0.889 1120 R CB 1.246 31.577 30.300 0.051 0.000 1.243 1120 R HN 0.002 nan 8.270 nan 0.000 0.464 1121 G N 0.898 109.740 108.800 0.071 0.000 2.444 1121 G HA2 0.420 4.231 3.960 -0.249 0.000 0.268 1121 G HA3 0.420 4.231 3.960 -0.249 0.000 0.268 1121 G C 0.311 175.087 174.900 -0.207 0.000 1.203 1121 G CA -0.896 44.062 45.100 -0.237 0.000 0.835 1121 G HN 0.497 nan 8.290 nan 0.000 0.543 1122 L N 1.066 122.123 121.223 -0.277 0.000 2.731 1122 L HA 0.421 4.612 4.340 -0.249 0.000 0.240 1122 L C 1.202 177.927 176.870 -0.242 0.000 1.120 1122 L CA 0.521 55.246 54.840 -0.192 0.000 0.913 1122 L CB -0.110 41.869 42.059 -0.134 0.000 1.213 1122 L HN 0.916 nan 8.230 nan 0.000 0.515 1123 G N -0.591 107.962 108.800 -0.412 0.000 2.353 1123 G HA2 0.001 3.812 3.960 -0.249 0.000 0.424 1123 G HA3 0.001 3.812 3.960 -0.249 0.000 0.424 1123 G C -1.479 173.058 174.900 -0.606 0.000 1.320 1123 G CA -0.951 43.855 45.100 -0.490 0.000 0.995 1123 G HN 0.044 nan 8.290 nan 0.000 0.580 1124 H N -0.312 118.716 119.070 -0.071 0.000 2.495 1124 H HA 0.702 5.107 4.556 -0.252 0.000 0.348 1124 H C 0.772 176.080 175.328 -0.033 0.000 1.113 1124 H CA 0.206 56.222 56.048 -0.052 0.000 1.195 1124 H CB 1.525 31.266 29.762 -0.034 0.000 1.521 1124 H HN 0.953 nan 8.280 nan 0.000 0.509 1125 G N 0.355 109.215 108.800 0.100 0.000 2.782 1125 G HA2 0.394 4.204 3.960 -0.249 0.000 0.201 1125 G HA3 0.394 4.204 3.960 -0.249 0.000 0.201 1125 G C 0.959 175.870 174.900 0.018 0.000 1.374 1125 G CA 0.075 45.202 45.100 0.044 0.000 1.039 1125 G HN 0.599 nan 8.290 nan 0.000 0.576 1126 A N -1.010 121.770 122.820 -0.067 0.000 1.858 1126 A HA 0.134 4.305 4.320 -0.249 0.000 0.216 1126 A C 1.888 179.325 177.584 -0.245 0.000 1.190 1126 A CA 1.422 53.302 52.037 -0.262 0.000 0.617 1126 A CB -0.480 18.219 19.000 -0.502 0.000 0.827 1126 A HN 0.460 nan 8.150 nan 0.000 0.443 1127 F N -1.590 118.435 119.950 0.124 0.000 2.678 1127 F HA 0.435 4.813 4.527 -0.248 0.000 0.305 1127 F C 1.192 177.043 175.800 0.084 0.000 1.090 1127 F CA 0.228 58.289 58.000 0.103 0.000 1.272 1127 F CB 0.838 39.922 39.000 0.141 0.000 1.060 1127 F HN 0.503 nan 8.300 nan 0.000 0.576 1128 G N 0.127 109.083 108.800 0.259 0.000 2.321 1128 G HA2 0.177 3.987 3.960 -0.249 0.000 0.296 1128 G HA3 0.177 3.987 3.960 -0.249 0.000 0.296 1128 G C -1.779 173.269 174.900 0.247 0.000 1.287 1128 G CA -1.004 44.223 45.100 0.212 0.000 0.846 1128 G HN -0.080 nan 8.290 nan 0.000 0.508 1129 E N -0.606 119.773 120.200 0.299 0.000 2.392 1129 E HA 0.424 4.625 4.350 -0.249 0.000 0.264 1129 E C -0.005 176.540 176.600 -0.092 0.000 1.024 1129 E CA -0.196 56.308 56.400 0.173 0.000 0.903 1129 E CB 1.097 30.792 29.700 -0.007 0.000 0.963 1129 E HN 0.430 nan 8.360 nan 0.000 0.432 1130 V N 5.038 124.813 119.914 -0.232 0.000 2.532 1130 V HA 0.319 4.290 4.120 -0.249 0.000 0.295 1130 V C -0.693 175.190 176.094 -0.351 0.000 1.041 1130 V CA -0.517 61.696 62.300 -0.146 0.000 0.926 1130 V CB 0.674 32.454 31.823 -0.073 0.000 0.992 1130 V HN 0.623 nan 8.190 nan 0.000 0.457 1131 Y N 0.881 121.139 120.300 -0.071 0.000 2.587 1131 Y HA 0.497 4.907 4.550 -0.232 0.000 0.337 1131 Y C 0.365 176.213 175.900 -0.086 0.000 1.065 1131 Y CA -0.916 57.134 58.100 -0.083 0.000 1.126 1131 Y CB 1.245 39.642 38.460 -0.105 0.000 1.279 1131 Y HN 0.605 nan 8.280 nan 0.000 0.489 1132 E N 0.469 120.726 120.200 0.096 0.000 2.266 1132 E HA 0.604 4.804 4.350 -0.249 0.000 0.277 1132 E C -0.493 176.126 176.600 0.032 0.000 1.018 1132 E CA -0.286 56.137 56.400 0.038 0.000 0.840 1132 E CB 1.039 30.750 29.700 0.020 0.000 1.082 1132 E HN 0.884 nan 8.360 nan 0.000 0.395 1133 G N 2.337 111.134 108.800 -0.006 0.000 2.663 1133 G HA2 0.367 4.177 3.960 -0.249 0.000 0.299 1133 G HA3 0.367 4.177 3.960 -0.249 0.000 0.299 1133 G C -1.463 173.424 174.900 -0.022 0.000 1.372 1133 G CA -0.517 44.564 45.100 -0.031 0.000 0.781 1133 G HN 0.517 nan 8.290 nan 0.000 0.491 1134 Q N -1.391 118.397 119.800 -0.021 0.000 2.456 1134 Q HA 0.669 4.860 4.340 -0.249 0.000 0.284 1134 Q C -1.532 174.469 176.000 0.002 0.000 1.061 1134 Q CA -0.874 54.925 55.803 -0.007 0.000 0.799 1134 Q CB 3.284 32.021 28.738 -0.002 0.000 1.445 1134 Q HN 0.414 nan 8.270 nan 0.000 0.411 1135 V N 0.762 120.680 119.914 0.007 0.000 2.925 1135 V HA 0.725 4.695 4.120 -0.249 0.000 0.311 1135 V C -0.637 175.465 176.094 0.012 0.000 1.104 1135 V CA -0.516 61.794 62.300 0.016 0.000 0.954 1135 V CB 2.039 33.873 31.823 0.018 0.000 1.022 1135 V HN 0.987 nan 8.190 nan 0.000 0.427 1145 L N 2.789 124.012 121.223 0.000 0.000 2.282 1145 L HA 0.481 4.672 4.340 -0.249 0.000 0.288 1145 L C 0.250 177.118 176.870 -0.003 0.000 1.033 1145 L CA -0.027 54.812 54.840 -0.001 0.000 0.807 1145 L CB 1.356 43.416 42.059 0.001 0.000 1.209 1145 L HN 0.393 nan 8.230 nan 0.000 0.423 1146 Q N 4.753 124.550 119.800 -0.006 0.000 2.257 1146 Q HA 0.708 4.898 4.340 -0.249 0.000 0.255 1146 Q C -0.927 175.067 176.000 -0.010 0.000 0.920 1146 Q CA -0.792 55.006 55.803 -0.008 0.000 0.927 1146 Q CB 1.988 30.721 28.738 -0.008 0.000 1.229 1146 Q HN 0.455 nan 8.270 nan 0.000 0.433 1147 V N -1.819 118.087 119.914 -0.013 0.000 3.159 1147 V HA 0.960 4.930 4.120 -0.249 0.000 0.308 1147 V C -0.879 175.204 176.094 -0.019 0.000 1.190 1147 V CA -0.914 61.377 62.300 -0.016 0.000 1.037 1147 V CB 1.437 33.249 31.823 -0.018 0.000 1.060 1147 V HN 0.989 nan 8.190 nan 0.000 0.437 1148 A N 1.159 123.968 122.820 -0.017 0.000 2.306 1148 A HA 0.884 5.054 4.320 -0.249 0.000 0.330 1148 A C -0.570 176.999 177.584 -0.026 0.000 1.146 1148 A CA -0.695 51.333 52.037 -0.016 0.000 0.827 1148 A CB 1.569 20.563 19.000 -0.011 0.000 1.178 1148 A HN 1.563 nan 8.150 nan 0.000 0.490 1149 V N 3.201 123.098 119.914 -0.028 0.000 2.357 1149 V HA 0.227 4.197 4.120 -0.249 0.000 0.281 1149 V C -0.109 176.004 176.094 0.032 0.000 1.015 1149 V CA -0.668 61.579 62.300 -0.088 0.000 0.827 1149 V CB 1.000 32.623 31.823 -0.334 0.000 1.018 1149 V HN 0.900 nan 8.190 nan 0.000 0.432 1150 K N 2.838 123.301 120.400 0.104 0.000 2.270 1150 K HA 0.552 4.722 4.320 -0.249 0.000 0.276 1150 K C 0.387 177.247 176.600 0.432 0.000 1.023 1150 K CA -0.158 56.272 56.287 0.239 0.000 0.955 1150 K CB 1.294 33.923 32.500 0.216 0.000 0.975 1150 K HN 0.812 nan 8.250 nan 0.000 0.471 1151 T N -0.279 114.555 114.554 0.466 0.000 2.908 1151 T HA 0.507 4.707 4.350 -0.249 0.000 0.290 1151 T C -0.933 173.897 174.700 0.216 0.000 1.034 1151 T CA -1.054 61.330 62.100 0.474 0.000 1.010 1151 T CB 1.202 70.356 68.868 0.477 0.000 1.068 1151 T HN 0.304 nan 8.240 nan 0.000 0.481 1152 L N 2.816 123.918 121.223 -0.202 0.000 2.313 1152 L HA 0.652 4.843 4.340 -0.249 0.000 0.283 1152 L C -2.759 173.972 176.870 -0.231 0.000 1.013 1152 L CA -2.221 52.300 54.840 -0.532 0.000 0.816 1152 L CB 1.246 42.502 42.059 -1.340 0.000 1.236 1152 L HN 0.464 nan 8.230 nan 0.000 0.419 1153 P HA 0.147 nan 4.420 nan 0.000 0.271 1153 P C 0.016 177.242 177.300 -0.123 0.000 1.220 1153 P CA -0.038 63.019 63.100 -0.071 0.000 0.768 1153 P CB 0.581 32.265 31.700 -0.027 0.000 0.848 1154 E N 1.156 121.302 120.200 -0.090 0.000 2.160 1154 E HA -0.111 4.089 4.350 -0.249 0.000 0.195 1154 E C 0.639 177.185 176.600 -0.091 0.000 0.991 1154 E CA 0.935 57.276 56.400 -0.098 0.000 0.810 1154 E CB 0.092 29.749 29.700 -0.072 0.000 0.742 1154 E HN 0.191 nan 8.360 nan 0.000 0.466 1155 V N 2.280 122.151 119.914 -0.072 0.000 2.304 1155 V HA 0.221 4.192 4.120 -0.249 0.000 0.262 1155 V C -0.261 175.789 176.094 -0.073 0.000 1.061 1155 V CA -0.450 61.813 62.300 -0.061 0.000 0.872 1155 V CB -0.424 31.376 31.823 -0.038 0.000 1.077 1155 V HN 0.384 nan 8.190 nan 0.000 0.480 1156 C N 3.391 122.633 119.300 -0.097 0.000 3.321 1156 C HA 0.879 5.190 4.460 -0.249 0.000 0.329 1156 C C 0.199 175.122 174.990 -0.112 0.000 1.394 1156 C CA -0.101 58.843 59.018 -0.124 0.000 1.291 1156 C CB 1.183 28.790 27.740 -0.221 0.000 1.606 1156 C HN 0.937 nan 8.230 nan 0.000 0.463 1157 S N 0.658 116.292 115.700 -0.111 0.000 2.645 1157 S HA 0.381 4.701 4.470 -0.249 0.000 0.266 1157 S C 0.804 175.349 174.600 -0.091 0.000 1.258 1157 S CA 0.012 58.167 58.200 -0.075 0.000 0.990 1157 S CB 0.621 63.797 63.200 -0.040 0.000 0.967 1157 S HN 0.856 nan 8.310 nan 0.000 0.556 1158 E N 0.503 120.670 120.200 -0.055 0.000 2.058 1158 E HA -0.221 3.979 4.350 -0.249 0.000 0.194 1158 E C 1.953 178.529 176.600 -0.040 0.000 0.997 1158 E CA 1.567 57.940 56.400 -0.044 0.000 0.801 1158 E CB -0.510 29.177 29.700 -0.021 0.000 0.746 1158 E HN 0.773 nan 8.360 nan 0.000 0.450 1159 Q N 1.095 120.882 119.800 -0.023 0.000 2.124 1159 Q HA -0.143 4.048 4.340 -0.249 0.000 0.202 1159 Q C 1.548 177.537 176.000 -0.018 0.000 0.977 1159 Q CA 1.492 57.300 55.803 0.008 0.000 0.850 1159 Q CB -0.171 28.590 28.738 0.039 0.000 0.901 1159 Q HN 0.158 nan 8.270 nan 0.000 0.429 1160 D N -0.022 120.300 120.400 -0.131 0.000 2.104 1160 D HA -0.169 4.321 4.640 -0.249 0.000 0.194 1160 D C 1.692 177.768 176.300 -0.373 0.000 0.994 1160 D CA 1.177 54.906 54.000 -0.453 0.000 0.830 1160 D CB -0.088 40.367 40.800 -0.576 0.000 0.959 1160 D HN 0.324 nan 8.370 nan 0.000 0.452 1161 E N 0.327 120.400 120.200 -0.212 0.000 2.070 1161 E HA -0.159 4.042 4.350 -0.249 0.000 0.197 1161 E C 2.468 179.085 176.600 0.028 0.000 1.004 1161 E CA 0.652 56.993 56.400 -0.098 0.000 0.805 1161 E CB -0.284 29.373 29.700 -0.071 0.000 0.744 1161 E HN 0.390 nan 8.360 nan 0.000 0.451 1162 L N 0.831 122.070 121.223 0.026 0.000 2.131 1162 L HA -0.130 4.061 4.340 -0.249 0.000 0.206 1162 L C 2.072 179.007 176.870 0.109 0.000 1.087 1162 L CA 0.794 55.673 54.840 0.065 0.000 0.767 1162 L CB -0.447 41.641 42.059 0.048 0.000 0.917 1162 L HN -0.061 nan 8.230 nan 0.000 0.441 1163 D N 0.337 120.830 120.400 0.154 0.000 2.104 1163 D HA -0.229 4.261 4.640 -0.249 0.000 0.194 1163 D C 1.929 178.408 176.300 0.299 0.000 0.994 1163 D CA 1.366 55.522 54.000 0.259 0.000 0.830 1163 D CB -0.303 40.790 40.800 0.488 0.000 0.959 1163 D HN 0.168 nan 8.370 nan 0.000 0.452 1164 F N 1.136 121.179 119.950 0.155 0.000 2.075 1164 F HA -0.163 4.206 4.527 -0.264 0.000 0.297 1164 F C 2.207 178.048 175.800 0.068 0.000 1.113 1164 F CA 0.919 59.004 58.000 0.142 0.000 1.218 1164 F CB -0.435 38.581 39.000 0.027 0.000 0.984 1164 F HN -0.073 nan 8.300 nan 0.000 0.472 1165 L N -0.002 121.324 121.223 0.173 0.000 2.042 1165 L HA -0.222 3.968 4.340 -0.249 0.000 0.210 1165 L C 2.288 179.125 176.870 -0.055 0.000 1.076 1165 L CA 2.123 56.986 54.840 0.039 0.000 0.749 1165 L CB -0.847 41.256 42.059 0.072 0.000 0.893 1165 L HN 0.323 nan 8.230 nan 0.000 0.432 1166 M N -0.056 119.530 119.600 -0.023 0.000 2.132 1166 M HA -0.191 4.140 4.480 -0.249 0.000 0.263 1166 M C 2.208 178.398 176.300 -0.183 0.000 1.065 1166 M CA 2.047 57.295 55.300 -0.087 0.000 1.122 1166 M CB -0.486 32.101 32.600 -0.021 0.000 1.365 1166 M HN 0.496 nan 8.290 nan 0.000 0.411 1167 E N -0.441 119.681 120.200 -0.129 0.000 2.118 1167 E HA -0.194 4.007 4.350 -0.249 0.000 0.195 1167 E C 1.767 178.222 176.600 -0.242 0.000 0.992 1167 E CA 1.639 57.947 56.400 -0.153 0.000 0.804 1167 E CB -0.193 29.446 29.700 -0.102 0.000 0.741 1167 E HN 0.574 nan 8.360 nan 0.000 0.458 1168 A N 0.664 123.324 122.820 -0.267 0.000 1.873 1168 A HA -0.121 4.050 4.320 -0.249 0.000 0.215 1168 A C 2.213 179.634 177.584 -0.272 0.000 1.186 1168 A CA 1.289 53.177 52.037 -0.248 0.000 0.616 1168 A CB -0.720 18.153 19.000 -0.211 0.000 0.823 1168 A HN 0.324 nan 8.150 nan 0.000 0.442 1169 L N -0.435 120.618 121.223 -0.283 0.000 1.989 1169 L HA -0.235 3.956 4.340 -0.249 0.000 0.211 1169 L C 2.559 179.052 176.870 -0.629 0.000 1.071 1169 L CA 1.599 56.240 54.840 -0.330 0.000 0.749 1169 L CB -0.647 41.260 42.059 -0.253 0.000 0.890 1169 L HN 0.397 nan 8.230 nan 0.000 0.431 1170 I N -0.218 119.804 120.570 -0.913 0.000 2.099 1170 I HA -0.349 3.671 4.170 -0.249 0.000 0.239 1170 I C 2.513 177.902 176.117 -1.214 0.000 1.066 1170 I CA 1.729 62.285 61.300 -1.240 0.000 1.324 1170 I CB -0.249 37.233 38.000 -0.864 0.000 1.037 1170 I HN 0.203 nan 8.210 nan 0.000 0.401 1171 I N -0.058 120.053 120.570 -0.766 0.000 2.614 1171 I HA -0.233 3.788 4.170 -0.249 0.000 0.258 1171 I C 2.335 178.199 176.117 -0.422 0.000 1.189 1171 I CA 1.122 62.088 61.300 -0.557 0.000 1.462 1171 I CB 0.058 37.942 38.000 -0.193 0.000 1.092 1171 I HN 0.118 nan 8.210 nan 0.000 0.442 1172 S N 0.485 115.946 115.700 -0.399 0.000 2.453 1172 S HA -0.039 4.281 4.470 -0.249 0.000 0.231 1172 S C 1.665 176.112 174.600 -0.255 0.000 1.005 1172 S CA 0.708 58.759 58.200 -0.249 0.000 0.949 1172 S CB -0.037 63.058 63.200 -0.176 0.000 0.774 1172 S HN 0.327 nan 8.310 nan 0.000 0.510 1173 K N 0.554 120.682 120.400 -0.453 0.000 2.426 1173 K HA 0.234 4.405 4.320 -0.249 0.000 0.193 1173 K C -0.249 176.148 176.600 -0.338 0.000 1.028 1173 K CA -0.019 56.074 56.287 -0.325 0.000 1.047 1173 K CB -0.254 32.114 32.500 -0.220 0.000 0.821 1173 K HN 0.262 nan 8.250 nan 0.000 0.513 1174 F N 1.580 121.335 119.950 -0.326 0.000 2.429 1174 F HA 0.154 4.531 4.527 -0.249 0.000 0.348 1174 F C 0.917 176.692 175.800 -0.043 0.000 1.109 1174 F CA -1.079 56.817 58.000 -0.174 0.000 1.232 1174 F CB 0.217 39.048 39.000 -0.281 0.000 1.157 1174 F HN -0.071 nan 8.300 nan 0.000 0.564 1175 N N 2.366 121.221 118.700 0.258 0.000 2.762 1175 N HA 0.140 4.731 4.740 -0.249 0.000 0.252 1175 N C -1.574 173.823 175.510 -0.187 0.000 1.269 1175 N CA -0.203 52.881 53.050 0.057 0.000 0.799 1175 N CB 0.121 38.681 38.487 0.123 0.000 1.173 1175 N HN 0.636 nan 8.380 nan 0.000 0.516 1176 H N 1.506 120.328 119.070 -0.413 0.000 3.038 1176 H HA 0.133 4.539 4.556 -0.250 0.000 0.362 1176 H C -0.002 175.151 175.328 -0.291 0.000 1.167 1176 H CA -0.332 55.392 56.048 -0.541 0.000 1.197 1176 H CB 1.810 30.896 29.762 -1.127 0.000 1.840 1176 H HN 0.496 nan 8.280 nan 0.000 0.540 1177 Q N 2.635 122.091 119.800 -0.573 0.000 2.472 1177 Q HA -0.023 4.168 4.340 -0.249 0.000 0.208 1177 Q C -0.455 175.480 176.000 -0.109 0.000 0.958 1177 Q CA 0.993 56.629 55.803 -0.278 0.000 0.932 1177 Q CB -0.187 28.380 28.738 -0.285 0.000 1.007 1177 Q HN 0.535 nan 8.270 nan 0.000 0.508 1178 N N 0.111 118.863 118.700 0.086 0.000 2.234 1178 N HA 0.353 4.943 4.740 -0.249 0.000 0.227 1178 N C -0.852 174.681 175.510 0.039 0.000 1.151 1178 N CA -0.121 52.984 53.050 0.092 0.000 0.865 1178 N CB 0.825 39.398 38.487 0.142 0.000 1.066 1178 N HN 0.126 nan 8.380 nan 0.000 0.515 1179 I N 0.988 121.573 120.570 0.024 0.000 2.447 1179 I HA 0.234 4.255 4.170 -0.249 0.000 0.287 1179 I C -0.105 176.037 176.117 0.043 0.000 1.023 1179 I CA -1.047 60.262 61.300 0.015 0.000 1.083 1179 I CB 2.119 40.075 38.000 -0.073 0.000 1.245 1179 I HN -0.230 nan 8.210 nan 0.000 0.434 1180 V N 6.525 126.485 119.914 0.076 0.000 2.843 1180 V HA -0.019 3.952 4.120 -0.249 0.000 0.305 1180 V C 0.776 176.905 176.094 0.058 0.000 1.120 1180 V CA 0.011 62.345 62.300 0.057 0.000 1.254 1180 V CB -0.179 31.685 31.823 0.068 0.000 0.901 1180 V HN 0.600 nan 8.190 nan 0.000 0.503 1181 R N 2.075 122.587 120.500 0.020 0.000 2.500 1181 R HA 0.366 4.556 4.340 -0.249 0.000 0.275 1181 R C -0.305 175.998 176.300 0.004 0.000 1.051 1181 R CA -0.487 55.617 56.100 0.007 0.000 1.088 1181 R CB 0.782 31.077 30.300 -0.009 0.000 1.063 1181 R HN 0.775 nan 8.270 nan 0.000 0.511 1182 C N 3.483 122.776 119.300 -0.012 0.000 2.264 1182 C HA 0.335 4.646 4.460 -0.249 0.000 0.324 1182 C C 1.808 176.788 174.990 -0.017 0.000 1.267 1182 C CA -0.620 58.385 59.018 -0.022 0.000 1.618 1182 C CB -1.006 26.703 27.740 -0.053 0.000 2.278 1182 C HN 0.784 nan 8.230 nan 0.000 0.499 1183 I N 4.467 125.031 120.570 -0.009 0.000 2.286 1183 I HA 0.257 4.278 4.170 -0.249 0.000 0.245 1183 I C 1.650 177.769 176.117 0.002 0.000 1.104 1183 I CA 2.071 63.370 61.300 -0.002 0.000 1.397 1183 I CB -0.535 37.466 38.000 0.002 0.000 1.072 1183 I HN 0.967 nan 8.210 nan 0.000 0.417 1184 G N -1.059 107.744 108.800 0.006 0.000 2.323 1184 G HA2 0.483 4.294 3.960 -0.249 0.000 0.291 1184 G HA3 0.483 4.294 3.960 -0.249 0.000 0.291 1184 G C -1.552 173.365 174.900 0.029 0.000 1.278 1184 G CA -0.086 45.022 45.100 0.013 0.000 0.860 1184 G HN 0.242 nan 8.290 nan 0.000 0.504 1185 V N -2.999 116.943 119.914 0.046 0.000 3.074 1185 V HA 0.929 4.899 4.120 -0.249 0.000 0.314 1185 V C -0.157 176.008 176.094 0.118 0.000 1.117 1185 V CA -0.404 61.947 62.300 0.086 0.000 1.014 1185 V CB 1.775 33.633 31.823 0.058 0.000 1.057 1185 V HN 1.467 nan 8.190 nan 0.000 0.438 1186 S N 1.378 117.185 115.700 0.180 0.000 2.399 1186 S HA 0.582 4.902 4.470 -0.249 0.000 0.215 1186 S C 0.068 174.706 174.600 0.063 0.000 1.456 1186 S CA -0.567 57.701 58.200 0.113 0.000 1.199 1186 S CB 0.017 63.301 63.200 0.140 0.000 1.063 1186 S HN 0.725 nan 8.310 nan 0.000 0.476 1187 L N 3.229 124.483 121.223 0.052 0.000 2.664 1187 L HA 0.312 4.502 4.340 -0.249 0.000 0.233 1187 L C 1.749 178.616 176.870 -0.006 0.000 1.113 1187 L CA 0.189 55.059 54.840 0.051 0.000 0.896 1187 L CB 0.106 42.214 42.059 0.082 0.000 1.163 1187 L HN 0.501 nan 8.230 nan 0.000 0.497 1188 Q N -0.633 119.153 119.800 -0.023 0.000 2.319 1188 Q HA 0.193 4.384 4.340 -0.249 0.000 0.202 1188 Q C -0.051 175.910 176.000 -0.066 0.000 0.896 1188 Q CA -0.046 55.735 55.803 -0.036 0.000 0.942 1188 Q CB 0.888 29.613 28.738 -0.021 0.000 1.083 1188 Q HN 0.218 nan 8.270 nan 0.000 0.510 1189 S N 0.199 115.834 115.700 -0.108 0.000 2.536 1189 S HA 0.541 4.861 4.470 -0.249 0.000 0.298 1189 S C -0.751 173.721 174.600 -0.213 0.000 1.083 1189 S CA -0.715 57.395 58.200 -0.150 0.000 0.995 1189 S CB 1.439 64.537 63.200 -0.170 0.000 1.058 1189 S HN 0.133 nan 8.310 nan 0.000 0.488 1190 L N 3.531 124.642 121.223 -0.187 0.000 2.309 1190 L HA 0.518 4.709 4.340 -0.249 0.000 0.282 1190 L C -1.937 174.801 176.870 -0.221 0.000 1.036 1190 L CA -1.886 52.837 54.840 -0.195 0.000 0.806 1190 L CB 0.778 42.759 42.059 -0.131 0.000 1.220 1190 L HN 0.412 nan 8.230 nan 0.000 0.429 1191 P HA 0.223 nan 4.420 nan 0.000 0.274 1191 P C -0.971 176.118 177.300 -0.351 0.000 1.246 1191 P CA -0.596 62.375 63.100 -0.215 0.000 0.795 1191 P CB 0.665 32.321 31.700 -0.073 0.000 1.006 1192 R N 0.690 121.057 120.500 -0.222 0.000 2.539 1192 R HA 0.453 4.644 4.340 -0.249 0.000 0.275 1192 R C -0.319 176.155 176.300 0.291 0.000 1.077 1192 R CA -0.083 55.960 56.100 -0.094 0.000 1.097 1192 R CB 0.178 30.441 30.300 -0.063 0.000 1.018 1192 R HN 0.396 nan 8.270 nan 0.000 0.483 1193 F N 1.629 121.722 119.950 0.238 0.000 2.532 1193 F HA 0.516 5.041 4.527 -0.003 0.000 0.321 1193 F C 0.348 176.300 175.800 0.252 0.000 1.089 1193 F CA -1.559 56.594 58.000 0.256 0.000 0.926 1193 F CB 1.299 40.375 39.000 0.127 0.000 1.168 1193 F HN 0.228 nan 8.300 nan 0.000 0.459 1194 I N 4.443 125.237 120.570 0.373 0.000 2.406 1194 I HA 0.359 4.379 4.170 -0.249 0.000 0.290 1194 I C -0.963 175.195 176.117 0.069 0.000 0.999 1194 I CA -0.674 60.685 61.300 0.099 0.000 1.124 1194 I CB 1.861 39.776 38.000 -0.141 0.000 1.289 1194 I HN 0.273 nan 8.210 nan 0.000 0.441 1195 L N 7.183 128.433 121.223 0.046 0.000 2.275 1195 L HA 0.604 4.794 4.340 -0.249 0.000 0.288 1195 L C -0.516 176.355 176.870 0.001 0.000 1.046 1195 L CA -0.395 54.456 54.840 0.017 0.000 0.805 1195 L CB 0.903 42.980 42.059 0.029 0.000 1.193 1195 L HN 0.401 nan 8.230 nan 0.000 0.426 1196 L N 1.759 122.980 121.223 -0.003 0.000 2.309 1196 L HA 0.452 4.642 4.340 -0.249 0.000 0.261 1196 L C 0.154 177.022 176.870 -0.004 0.000 1.021 1196 L CA -0.846 53.993 54.840 -0.001 0.000 0.823 1196 L CB 2.348 44.411 42.059 0.007 0.000 1.366 1196 L HN 0.589 nan 8.230 nan 0.000 0.423 1197 E N 1.400 121.599 120.200 -0.003 0.000 2.529 1197 E HA -0.001 4.200 4.350 -0.249 0.000 0.259 1197 E C -1.048 175.545 176.600 -0.011 0.000 0.966 1197 E CA -0.349 56.046 56.400 -0.008 0.000 0.937 1197 E CB 0.851 30.546 29.700 -0.009 0.000 0.923 1197 E HN 0.320 nan 8.360 nan 0.000 0.468 1198 L N 5.426 126.641 121.223 -0.014 0.000 2.305 1198 L HA 0.219 4.410 4.340 -0.249 0.000 0.281 1198 L C -0.634 176.223 176.870 -0.022 0.000 1.085 1198 L CA -0.012 54.819 54.840 -0.017 0.000 0.813 1198 L CB 1.145 43.195 42.059 -0.015 0.000 1.157 1198 L HN 0.597 nan 8.230 nan 0.000 0.436 1199 M N 5.803 125.388 119.600 -0.025 0.000 2.268 1199 M HA 0.292 4.622 4.480 -0.249 0.000 0.340 1199 M C 1.038 177.319 176.300 -0.032 0.000 1.099 1199 M CA -0.285 54.994 55.300 -0.034 0.000 1.053 1199 M CB 0.505 33.081 32.600 -0.040 0.000 1.284 1199 M HN 0.832 nan 8.290 nan 0.000 0.410 1200 A N 2.205 125.008 122.820 -0.028 0.000 1.986 1200 A HA -0.053 4.117 4.320 -0.249 0.000 0.220 1200 A C 1.917 179.496 177.584 -0.008 0.000 1.171 1200 A CA 2.196 54.224 52.037 -0.016 0.000 0.640 1200 A CB -0.687 18.305 19.000 -0.013 0.000 0.811 1200 A HN 0.865 nan 8.150 nan 0.000 0.451 1201 G N -1.495 107.288 108.800 -0.029 0.000 2.776 1201 G HA2 0.407 4.218 3.960 -0.249 0.000 0.209 1201 G HA3 0.407 4.218 3.960 -0.249 0.000 0.209 1201 G C 1.056 175.966 174.900 0.018 0.000 1.145 1201 G CA 0.641 45.731 45.100 -0.017 0.000 0.791 1201 G HN 1.646 nan 8.290 nan 0.000 0.530 1202 G N 0.487 109.285 108.800 -0.003 0.000 2.741 1202 G HA2 -0.184 3.627 3.960 -0.249 0.000 0.222 1202 G HA3 -0.184 3.627 3.960 -0.249 0.000 0.222 1202 G C -0.144 174.754 174.900 -0.003 0.000 1.364 1202 G CA -0.098 45.006 45.100 0.008 0.000 0.866 1202 G HN 0.737 nan 8.290 nan 0.000 0.555 1203 D N -0.515 119.890 120.400 0.009 0.000 2.358 1203 D HA 0.306 4.797 4.640 -0.249 0.000 0.244 1203 D C 1.641 177.969 176.300 0.046 0.000 1.163 1203 D CA -0.218 53.785 54.000 0.004 0.000 0.945 1203 D CB 1.454 42.253 40.800 -0.003 0.000 1.152 1203 D HN 0.592 nan 8.370 nan 0.000 0.451 1204 L N 1.044 122.286 121.223 0.032 0.000 2.109 1204 L HA -0.079 4.112 4.340 -0.249 0.000 0.207 1204 L C 2.374 179.325 176.870 0.135 0.000 1.086 1204 L CA 1.630 56.515 54.840 0.075 0.000 0.760 1204 L CB -0.884 41.196 42.059 0.035 0.000 0.910 1204 L HN 0.561 nan 8.230 nan 0.000 0.437 1205 K N -1.116 119.341 120.400 0.095 0.000 2.057 1205 K HA -0.117 4.053 4.320 -0.249 0.000 0.206 1205 K C 2.012 178.655 176.600 0.073 0.000 1.050 1205 K CA 1.422 57.766 56.287 0.095 0.000 0.935 1205 K CB 0.011 32.563 32.500 0.088 0.000 0.715 1205 K HN 0.393 nan 8.250 nan 0.000 0.439 1206 S N 0.941 116.682 115.700 0.068 0.000 2.343 1206 S HA -0.174 4.147 4.470 -0.249 0.000 0.219 1206 S C 1.560 176.195 174.600 0.058 0.000 1.033 1206 S CA 1.469 59.697 58.200 0.046 0.000 1.014 1206 S CB -0.622 62.605 63.200 0.044 0.000 0.915 1206 S HN 0.410 nan 8.310 nan 0.000 0.435 1207 F N 2.568 122.502 119.950 -0.026 0.000 2.063 1207 F HA -0.240 4.137 4.527 -0.249 0.000 0.298 1207 F C 1.908 177.688 175.800 -0.034 0.000 1.105 1207 F CA 1.548 59.530 58.000 -0.029 0.000 1.215 1207 F CB -0.597 38.387 39.000 -0.027 0.000 0.972 1207 F HN 0.095 nan 8.300 nan 0.000 0.483 1208 L N -0.192 121.060 121.223 0.047 0.000 2.042 1208 L HA -0.249 3.941 4.340 -0.249 0.000 0.210 1208 L C 2.672 179.453 176.870 -0.149 0.000 1.076 1208 L CA 1.804 56.603 54.840 -0.067 0.000 0.749 1208 L CB -0.679 41.407 42.059 0.045 0.000 0.893 1208 L HN 0.107 nan 8.230 nan 0.000 0.432 1209 R N -0.067 120.370 120.500 -0.104 0.000 2.075 1209 R HA -0.119 4.072 4.340 -0.249 0.000 0.232 1209 R C 1.917 178.129 176.300 -0.146 0.000 1.126 1209 R CA 1.153 57.182 56.100 -0.119 0.000 0.963 1209 R CB -0.144 30.102 30.300 -0.091 0.000 0.858 1209 R HN 0.411 nan 8.270 nan 0.000 0.435 1210 E N -0.698 119.400 120.200 -0.171 0.000 2.502 1210 E HA -0.009 4.192 4.350 -0.249 0.000 0.194 1210 E C 0.468 176.920 176.600 -0.247 0.000 1.062 1210 E CA 0.636 56.931 56.400 -0.174 0.000 0.867 1210 E CB 0.577 30.195 29.700 -0.136 0.000 0.888 1210 E HN 0.177 nan 8.360 nan 0.000 0.510 1211 T N -0.068 114.276 114.554 -0.350 0.000 3.043 1211 T HA 0.135 4.335 4.350 -0.249 0.000 0.272 1211 T C 0.300 174.843 174.700 -0.261 0.000 0.990 1211 T CA -0.404 61.456 62.100 -0.401 0.000 0.897 1211 T CB 0.417 68.793 68.868 -0.820 0.000 1.111 1211 T HN -0.026 nan 8.240 nan 0.000 0.529 1212 R N 2.714 123.096 120.500 -0.195 0.000 2.523 1212 R HA 0.043 4.233 4.340 -0.249 0.000 0.281 1212 R C -2.713 173.528 176.300 -0.099 0.000 0.969 1212 R CA -0.801 55.227 56.100 -0.120 0.000 1.093 1212 R CB -0.313 29.937 30.300 -0.083 0.000 0.917 1212 R HN 0.116 nan 8.270 nan 0.000 0.408 1213 P HA 0.003 nan 4.420 nan 0.000 0.263 1213 P C -0.589 176.689 177.300 -0.038 0.000 1.195 1213 P CA 0.517 63.585 63.100 -0.053 0.000 0.762 1213 P CB 0.644 32.322 31.700 -0.036 0.000 0.799 1214 R N 5.428 125.901 120.500 -0.045 0.000 2.923 1214 R HA 0.404 4.595 4.340 -0.249 0.000 0.252 1214 R C -1.347 174.935 176.300 -0.030 0.000 1.130 1214 R CA -1.785 54.289 56.100 -0.042 0.000 1.043 1214 R CB 0.293 30.547 30.300 -0.076 0.000 1.205 1214 R HN 0.225 nan 8.270 nan 0.000 0.495 1215 P HA -0.211 nan 4.420 nan 0.000 0.218 1215 P C 0.822 178.108 177.300 -0.022 0.000 1.146 1215 P CA 1.541 64.639 63.100 -0.003 0.000 0.813 1215 P CB 0.322 32.017 31.700 -0.010 0.000 0.778 1216 S N -1.162 114.509 115.700 -0.049 0.000 2.387 1216 S HA -0.017 4.304 4.470 -0.249 0.000 0.221 1216 S C 1.243 175.820 174.600 -0.037 0.000 1.041 1216 S CA 0.532 58.706 58.200 -0.043 0.000 0.959 1216 S CB -0.469 62.698 63.200 -0.056 0.000 0.843 1216 S HN -0.009 nan 8.310 nan 0.000 0.488 1217 Q N 1.744 121.517 119.800 -0.045 0.000 2.963 1217 Q HA 0.310 4.500 4.340 -0.249 0.000 0.262 1217 Q C -2.074 173.904 176.000 -0.038 0.000 1.318 1217 Q CA -2.083 53.693 55.803 -0.044 0.000 1.089 1217 Q CB 0.996 29.698 28.738 -0.060 0.000 1.424 1217 Q HN 0.508 nan 8.270 nan 0.000 0.560 1218 P HA -0.041 nan 4.420 nan 0.000 0.231 1218 P C 0.501 177.790 177.300 -0.018 0.000 1.168 1218 P CA 0.730 63.821 63.100 -0.015 0.000 0.779 1218 P CB 0.552 32.249 31.700 -0.006 0.000 0.844 1219 S N -2.157 113.530 115.700 -0.022 0.000 2.952 1219 S HA 0.153 4.473 4.470 -0.249 0.000 0.251 1219 S C 1.468 176.053 174.600 -0.024 0.000 1.021 1219 S CA 0.056 58.245 58.200 -0.019 0.000 1.067 1219 S CB -0.820 62.373 63.200 -0.012 0.000 1.002 1219 S HN 0.088 nan 8.310 nan 0.000 0.574 1220 S N 2.067 117.743 115.700 -0.039 0.000 2.380 1220 S HA -0.002 4.319 4.470 -0.249 0.000 0.229 1220 S C 0.574 175.151 174.600 -0.039 0.000 1.043 1220 S CA 0.674 58.843 58.200 -0.052 0.000 1.038 1220 S CB -0.593 62.550 63.200 -0.095 0.000 0.872 1220 S HN 0.630 nan 8.310 nan 0.000 0.456 1221 L N -0.059 121.138 121.223 -0.043 0.000 2.393 1221 L HA 0.784 4.975 4.340 -0.249 0.000 0.260 1221 L C -0.299 176.553 176.870 -0.030 0.000 1.002 1221 L CA -0.640 54.183 54.840 -0.028 0.000 0.818 1221 L CB 2.119 44.149 42.059 -0.049 0.000 1.369 1221 L HN 0.293 nan 8.230 nan 0.000 0.412 1222 A N 0.831 123.634 122.820 -0.029 0.000 2.387 1222 A HA 0.600 4.770 4.320 -0.249 0.000 0.298 1222 A C 0.302 177.854 177.584 -0.054 0.000 1.165 1222 A CA -0.580 51.436 52.037 -0.034 0.000 0.814 1222 A CB 1.365 20.349 19.000 -0.026 0.000 1.357 1222 A HN 0.749 nan 8.150 nan 0.000 0.443 1223 M N -0.327 119.254 119.600 -0.031 0.000 2.149 1223 M HA -0.105 4.226 4.480 -0.249 0.000 0.261 1223 M C 1.592 177.867 176.300 -0.043 0.000 1.064 1223 M CA 1.786 57.084 55.300 -0.002 0.000 1.102 1223 M CB -0.815 31.824 32.600 0.066 0.000 1.369 1223 M HN 0.731 nan 8.290 nan 0.000 0.408 1224 L N -0.337 120.834 121.223 -0.088 0.000 2.201 1224 L HA -0.160 4.031 4.340 -0.249 0.000 0.212 1224 L C 1.629 178.302 176.870 -0.329 0.000 1.105 1224 L CA 1.732 56.441 54.840 -0.218 0.000 0.775 1224 L CB -0.741 41.190 42.059 -0.213 0.000 0.913 1224 L HN 0.280 nan 8.230 nan 0.000 0.440 1225 D N -0.324 119.980 120.400 -0.160 0.000 2.144 1225 D HA -0.180 4.310 4.640 -0.249 0.000 0.199 1225 D C 2.231 178.480 176.300 -0.086 0.000 0.984 1225 D CA 1.542 55.496 54.000 -0.077 0.000 0.834 1225 D CB -0.029 40.776 40.800 0.009 0.000 0.955 1225 D HN 0.418 nan 8.370 nan 0.000 0.465 1226 L N 0.288 121.408 121.223 -0.172 0.000 2.109 1226 L HA -0.083 4.107 4.340 -0.249 0.000 0.207 1226 L C 2.537 179.306 176.870 -0.168 0.000 1.086 1226 L CA 0.520 55.169 54.840 -0.319 0.000 0.760 1226 L CB -0.302 41.290 42.059 -0.779 0.000 0.910 1226 L HN -0.001 nan 8.230 nan 0.000 0.437 1227 L N -1.285 119.917 121.223 -0.034 0.000 2.217 1227 L HA -0.161 4.030 4.340 -0.249 0.000 0.211 1227 L C 2.412 179.381 176.870 0.166 0.000 1.107 1227 L CA 0.965 55.891 54.840 0.144 0.000 0.783 1227 L CB -0.525 41.603 42.059 0.114 0.000 0.919 1227 L HN 0.309 nan 8.230 nan 0.000 0.442 1228 H N -1.572 117.536 119.070 0.064 0.000 2.333 1228 H HA -0.109 4.298 4.556 -0.249 0.000 0.302 1228 H C 2.365 177.717 175.328 0.040 0.000 1.075 1228 H CA 0.867 56.944 56.048 0.048 0.000 1.348 1228 H CB 0.215 29.989 29.762 0.021 0.000 1.393 1228 H HN 0.012 nan 8.280 nan 0.000 0.509 1229 V N 1.222 121.217 119.914 0.136 0.000 2.278 1229 V HA -0.356 3.614 4.120 -0.249 0.000 0.251 1229 V C 2.620 178.789 176.094 0.125 0.000 1.062 1229 V CA 1.959 64.299 62.300 0.067 0.000 1.038 1229 V CB -0.821 31.003 31.823 0.002 0.000 0.646 1229 V HN 0.563 nan 8.190 nan 0.000 0.447 1230 A N -0.355 122.570 122.820 0.176 0.000 1.929 1230 A HA -0.198 3.973 4.320 -0.249 0.000 0.216 1230 A C 2.375 180.175 177.584 0.360 0.000 1.176 1230 A CA 1.708 53.925 52.037 0.300 0.000 0.628 1230 A CB -0.527 18.679 19.000 0.343 0.000 0.816 1230 A HN 0.526 nan 8.150 nan 0.000 0.444 1231 R N -0.070 120.591 120.500 0.269 0.000 2.083 1231 R HA -0.196 3.994 4.340 -0.249 0.000 0.237 1231 R C 1.450 177.838 176.300 0.146 0.000 1.137 1231 R CA 2.062 58.287 56.100 0.207 0.000 0.951 1231 R CB -0.429 29.987 30.300 0.193 0.000 0.851 1231 R HN 0.400 nan 8.270 nan 0.000 0.434 1232 D N 0.469 120.944 120.400 0.125 0.000 2.106 1232 D HA -0.177 4.314 4.640 -0.249 0.000 0.191 1232 D C 1.881 178.223 176.300 0.070 0.000 0.997 1232 D CA 1.347 55.392 54.000 0.074 0.000 0.834 1232 D CB -0.127 40.699 40.800 0.043 0.000 0.956 1232 D HN 0.232 nan 8.370 nan 0.000 0.448 1233 I N 0.922 121.563 120.570 0.118 0.000 2.286 1233 I HA -0.120 3.900 4.170 -0.249 0.000 0.245 1233 I C 2.446 178.568 176.117 0.008 0.000 1.104 1233 I CA 0.630 61.995 61.300 0.108 0.000 1.397 1233 I CB -1.446 36.703 38.000 0.248 0.000 1.072 1233 I HN -0.114 nan 8.210 nan 0.000 0.417 1234 A N -0.185 122.657 122.820 0.036 0.000 2.024 1234 A HA -0.277 3.894 4.320 -0.249 0.000 0.220 1234 A C 2.631 180.079 177.584 -0.227 0.000 1.164 1234 A CA 1.867 53.717 52.037 -0.312 0.000 0.643 1234 A CB -1.214 17.667 19.000 -0.199 0.000 0.806 1234 A HN 0.552 nan 8.150 nan 0.000 0.451 1235 C N -0.984 118.268 119.300 -0.080 0.000 2.466 1235 C HA 0.143 4.454 4.460 -0.249 0.000 0.278 1235 C C 2.957 177.835 174.990 -0.188 0.000 1.288 1235 C CA 0.919 59.915 59.018 -0.038 0.000 1.722 1235 C CB -1.485 26.310 27.740 0.092 0.000 2.017 1235 C HN 0.619 nan 8.230 nan 0.000 0.488 1236 G N -0.388 108.286 108.800 -0.211 0.000 2.446 1236 G HA2 -0.276 3.535 3.960 -0.249 0.000 0.217 1236 G HA3 -0.276 3.535 3.960 -0.249 0.000 0.217 1236 G C 1.672 176.337 174.900 -0.392 0.000 1.168 1236 G CA 1.453 46.330 45.100 -0.371 0.000 0.771 1236 G HN 0.602 nan 8.290 nan 0.000 0.551 1237 C N 0.207 119.202 119.300 -0.508 0.000 2.419 1237 C HA -0.007 4.304 4.460 -0.249 0.000 0.281 1237 C C 2.812 177.348 174.990 -0.756 0.000 1.336 1237 C CA 1.099 59.630 59.018 -0.811 0.000 1.770 1237 C CB -0.801 25.942 27.740 -1.662 0.000 1.929 1237 C HN 0.708 nan 8.230 nan 0.000 0.509 1238 Q N 0.019 119.506 119.800 -0.521 0.000 2.049 1238 Q HA -0.218 3.973 4.340 -0.249 0.000 0.198 1238 Q C 2.087 178.007 176.000 -0.134 0.000 0.971 1238 Q CA 1.782 57.464 55.803 -0.202 0.000 0.833 1238 Q CB -0.646 28.052 28.738 -0.066 0.000 0.896 1238 Q HN 0.707 nan 8.270 nan 0.000 0.434 1239 Y N 0.745 120.849 120.300 -0.327 0.000 2.165 1239 Y HA -0.238 4.162 4.550 -0.250 0.000 0.286 1239 Y C 1.583 177.388 175.900 -0.158 0.000 1.155 1239 Y CA 1.946 59.875 58.100 -0.286 0.000 1.164 1239 Y CB -0.183 37.886 38.460 -0.652 0.000 0.978 1239 Y HN 0.177 nan 8.280 nan 0.000 0.513 1240 L N 0.135 121.229 121.223 -0.216 0.000 2.046 1240 L HA -0.203 3.988 4.340 -0.249 0.000 0.208 1240 L C 2.633 179.489 176.870 -0.023 0.000 1.077 1240 L CA 1.955 56.736 54.840 -0.099 0.000 0.747 1240 L CB -0.720 41.372 42.059 0.055 0.000 0.896 1240 L HN 0.308 nan 8.230 nan 0.000 0.432 1241 E N 0.942 121.120 120.200 -0.036 0.000 2.077 1241 E HA -0.259 3.941 4.350 -0.249 0.000 0.193 1241 E C 1.843 178.359 176.600 -0.140 0.000 0.989 1241 E CA 1.485 57.900 56.400 0.025 0.000 0.800 1241 E CB 0.061 29.850 29.700 0.149 0.000 0.746 1241 E HN 0.652 nan 8.360 nan 0.000 0.452 1242 E N -0.580 119.498 120.200 -0.204 0.000 2.511 1242 E HA -0.070 4.130 4.350 -0.249 0.000 0.196 1242 E C 0.798 177.077 176.600 -0.535 0.000 1.066 1242 E CA 0.314 56.530 56.400 -0.307 0.000 0.871 1242 E CB 0.038 29.639 29.700 -0.165 0.000 0.863 1242 E HN 0.122 nan 8.360 nan 0.000 0.520 1243 N N 0.589 118.993 118.700 -0.494 0.000 2.204 1243 N HA 0.042 4.633 4.740 -0.249 0.000 0.219 1243 N C -0.815 174.566 175.510 -0.215 0.000 1.151 1243 N CA 0.108 52.886 53.050 -0.453 0.000 0.867 1243 N CB 0.223 38.485 38.487 -0.376 0.000 1.043 1243 N HN 0.275 nan 8.380 nan 0.000 0.516 1244 H N -1.114 117.993 119.070 0.061 0.000 2.861 1244 H HA -0.208 4.198 4.556 -0.249 0.000 0.289 1244 H C -0.400 175.052 175.328 0.207 0.000 1.176 1244 H CA 0.549 56.659 56.048 0.103 0.000 1.146 1244 H CB -2.291 27.493 29.762 0.036 0.000 1.330 1244 H HN 0.297 nan 8.280 nan 0.000 0.379 1245 F N 1.057 121.134 119.950 0.211 0.000 2.404 1245 F HA 0.517 4.895 4.527 -0.250 0.000 0.339 1245 F C 0.015 175.966 175.800 0.251 0.000 1.105 1245 F CA -1.002 57.179 58.000 0.301 0.000 1.087 1245 F CB 0.635 39.916 39.000 0.467 0.000 1.143 1245 F HN 0.020 nan 8.300 nan 0.000 0.491 1246 I N 6.629 127.080 120.570 -0.198 0.000 2.378 1246 I HA 0.140 4.160 4.170 -0.249 0.000 0.291 1246 I C 0.630 176.719 176.117 -0.047 0.000 0.992 1246 I CA -0.536 60.778 61.300 0.024 0.000 1.154 1246 I CB 1.590 39.605 38.000 0.024 0.000 1.315 1246 I HN 0.741 nan 8.210 nan 0.000 0.448 1247 H N 6.641 125.846 119.070 0.225 0.000 2.370 1247 H HA 0.155 4.562 4.556 -0.249 0.000 0.304 1247 H C 1.202 176.617 175.328 0.146 0.000 1.055 1247 H CA 1.405 57.657 56.048 0.340 0.000 1.373 1247 H CB 0.554 30.517 29.762 0.335 0.000 1.423 1247 H HN 0.679 nan 8.280 nan 0.000 0.533 1248 R N -0.778 119.907 120.500 0.308 0.000 3.426 1248 R HA -0.151 4.040 4.340 -0.249 0.000 0.478 1248 R C -0.644 175.812 176.300 0.261 0.000 0.673 1248 R CA 1.257 57.461 56.100 0.174 0.000 1.455 1248 R CB -1.237 28.958 30.300 -0.176 0.000 2.122 1248 R HN 0.336 nan 8.270 nan 0.000 0.418 1249 D N 0.334 120.996 120.400 0.437 0.000 2.997 1249 D HA 0.174 4.665 4.640 -0.249 0.000 0.362 1249 D C -0.638 175.803 176.300 0.235 0.000 1.298 1249 D CA -0.262 53.902 54.000 0.273 0.000 0.756 1249 D CB 0.266 41.121 40.800 0.092 0.000 1.216 1249 D HN 0.056 nan 8.370 nan 0.000 0.496 1250 I N 2.089 122.777 120.570 0.197 0.000 2.483 1250 I HA 0.439 4.460 4.170 -0.249 0.000 0.291 1250 I C 0.578 176.731 176.117 0.058 0.000 1.112 1250 I CA -0.022 61.284 61.300 0.011 0.000 1.350 1250 I CB -0.372 37.739 38.000 0.185 0.000 1.419 1250 I HN 0.191 nan 8.210 nan 0.000 0.523 1251 A N 5.075 127.834 122.820 -0.101 0.000 2.606 1251 A HA 0.733 4.903 4.320 -0.249 0.000 0.293 1251 A C 0.595 178.150 177.584 -0.050 0.000 1.082 1251 A CA -0.015 51.912 52.037 -0.183 0.000 0.685 1251 A CB 0.936 19.379 19.000 -0.928 0.000 1.284 1251 A HN 0.609 nan 8.150 nan 0.000 0.408 1252 A N 0.747 123.626 122.820 0.098 0.000 1.933 1252 A HA -0.138 4.033 4.320 -0.249 0.000 0.218 1252 A C 1.951 179.546 177.584 0.018 0.000 1.175 1252 A CA 1.933 54.029 52.037 0.099 0.000 0.628 1252 A CB -0.565 18.551 19.000 0.193 0.000 0.814 1252 A HN 1.047 nan 8.150 nan 0.000 0.444 1253 R N -0.832 119.648 120.500 -0.033 0.000 2.237 1253 R HA -0.019 4.172 4.340 -0.249 0.000 0.219 1253 R C 0.346 176.599 176.300 -0.078 0.000 1.080 1253 R CA 1.491 57.559 56.100 -0.053 0.000 0.995 1253 R CB -0.405 29.844 30.300 -0.085 0.000 0.875 1253 R HN 0.348 nan 8.270 nan 0.000 0.462 1254 N N -0.018 118.619 118.700 -0.105 0.000 2.236 1254 N HA 0.100 4.691 4.740 -0.249 0.000 0.196 1254 N C -0.616 174.823 175.510 -0.119 0.000 1.114 1254 N CA -0.008 52.974 53.050 -0.114 0.000 0.859 1254 N CB 0.483 38.895 38.487 -0.124 0.000 0.982 1254 N HN 0.147 nan 8.380 nan 0.000 0.493 1255 C N 0.756 120.006 119.300 -0.083 0.000 2.397 1255 C HA 0.693 5.004 4.460 -0.249 0.000 0.343 1255 C C 0.175 175.130 174.990 -0.058 0.000 1.188 1255 C CA -0.739 58.235 59.018 -0.074 0.000 1.992 1255 C CB 0.866 28.579 27.740 -0.045 0.000 2.358 1255 C HN 0.155 nan 8.230 nan 0.000 0.518 1256 L N 1.539 122.722 121.223 -0.068 0.000 2.376 1256 L HA 0.703 4.893 4.340 -0.249 0.000 0.258 1256 L C -1.021 175.787 176.870 -0.104 0.000 1.013 1256 L CA -0.454 54.343 54.840 -0.071 0.000 0.822 1256 L CB 1.289 43.315 42.059 -0.055 0.000 1.388 1256 L HN 0.434 nan 8.230 nan 0.000 0.413 1257 L N -0.134 121.009 121.223 -0.135 0.000 2.346 1257 L HA 0.469 4.660 4.340 -0.249 0.000 0.274 1257 L C 1.081 177.873 176.870 -0.129 0.000 1.007 1257 L CA -0.467 54.259 54.840 -0.191 0.000 0.818 1257 L CB 2.093 43.923 42.059 -0.382 0.000 1.284 1257 L HN 0.831 nan 8.230 nan 0.000 0.424 1258 T N -2.509 111.978 114.554 -0.113 0.000 2.737 1258 T HA -0.069 4.132 4.350 -0.249 0.000 0.265 1258 T C 0.654 175.314 174.700 -0.066 0.000 1.038 1258 T CA 0.671 62.726 62.100 -0.076 0.000 1.144 1258 T CB -0.225 68.603 68.868 -0.066 0.000 0.866 1258 T HN 0.708 nan 8.240 nan 0.000 0.434 1259 C N -0.594 118.657 119.300 -0.081 0.000 2.994 1259 C HA 0.756 5.066 4.460 -0.249 0.000 0.304 1259 C C -2.296 172.662 174.990 -0.053 0.000 1.273 1259 C CA -1.935 57.054 59.018 -0.048 0.000 1.537 1259 C CB 1.432 29.155 27.740 -0.029 0.000 2.001 1259 C HN 0.041 nan 8.230 nan 0.000 0.471 1260 P HA 0.156 nan 4.420 nan 0.000 0.218 1260 P C 0.973 178.385 177.300 0.187 0.000 1.152 1260 P CA 1.593 64.793 63.100 0.167 0.000 0.826 1260 P CB -0.019 31.775 31.700 0.157 0.000 0.790 1261 G N 0.581 109.434 108.800 0.088 0.000 2.563 1261 G HA2 0.366 4.177 3.960 -0.249 0.000 0.283 1261 G HA3 0.366 4.177 3.960 -0.249 0.000 0.283 1261 G C -2.441 172.493 174.900 0.057 0.000 1.309 1261 G CA -1.331 43.816 45.100 0.079 0.000 1.022 1261 G HN -0.025 nan 8.290 nan 0.000 0.501 1262 P HA 0.148 nan 4.420 nan 0.000 0.268 1262 P C 0.783 178.094 177.300 0.019 0.000 1.208 1262 P CA 1.322 64.448 63.100 0.043 0.000 0.777 1262 P CB 0.883 32.608 31.700 0.043 0.000 0.875 1263 G N 1.537 110.345 108.800 0.013 0.000 2.176 1263 G HA2 -0.250 3.561 3.960 -0.249 0.000 0.253 1263 G HA3 -0.250 3.561 3.960 -0.249 0.000 0.253 1263 G C 0.295 175.174 174.900 -0.034 0.000 0.979 1263 G CA 0.185 45.278 45.100 -0.013 0.000 0.641 1263 G HN 0.908 nan 8.290 nan 0.000 0.530 1264 R N -0.058 120.416 120.500 -0.043 0.000 2.570 1264 R HA 0.477 4.668 4.340 -0.249 0.000 0.277 1264 R C -0.471 175.774 176.300 -0.091 0.000 1.039 1264 R CA -0.124 55.920 56.100 -0.093 0.000 1.065 1264 R CB 0.958 31.155 30.300 -0.172 0.000 0.964 1264 R HN 0.207 nan 8.270 nan 0.000 0.428 1265 V N 2.456 122.312 119.914 -0.096 0.000 2.495 1265 V HA 0.572 4.542 4.120 -0.249 0.000 0.298 1265 V C 0.183 176.222 176.094 -0.092 0.000 1.031 1265 V CA -0.832 61.419 62.300 -0.081 0.000 0.871 1265 V CB 1.519 33.300 31.823 -0.070 0.000 0.988 1265 V HN 1.002 nan 8.190 nan 0.000 0.432 1266 A N 5.084 127.860 122.820 -0.074 0.000 2.303 1266 A HA 0.875 5.046 4.320 -0.249 0.000 0.317 1266 A C -0.250 177.307 177.584 -0.045 0.000 1.149 1266 A CA -0.569 51.424 52.037 -0.073 0.000 0.822 1266 A CB 0.818 19.783 19.000 -0.058 0.000 1.131 1266 A HN 0.843 nan 8.150 nan 0.000 0.493 1267 K N 1.320 121.688 120.400 -0.053 0.000 2.527 1267 K HA 0.466 4.636 4.320 -0.249 0.000 0.260 1267 K C -1.372 175.185 176.600 -0.072 0.000 0.937 1267 K CA -0.535 55.724 56.287 -0.046 0.000 0.826 1267 K CB 2.255 34.735 32.500 -0.034 0.000 1.359 1267 K HN 0.647 nan 8.250 nan 0.000 0.434 1268 I N 1.210 121.720 120.570 -0.100 0.000 2.496 1268 I HA 0.137 4.157 4.170 -0.249 0.000 0.285 1268 I C 1.050 177.067 176.117 -0.166 0.000 1.080 1268 I CA 0.387 61.565 61.300 -0.203 0.000 1.404 1268 I CB 0.917 38.729 38.000 -0.314 0.000 1.403 1268 I HN 0.962 nan 8.210 nan 0.000 0.539 1269 G N 4.072 112.753 108.800 -0.198 0.000 3.443 1269 G HA2 0.113 3.924 3.960 -0.249 0.000 0.252 1269 G HA3 0.113 3.924 3.960 -0.249 0.000 0.252 1269 G C -0.429 174.430 174.900 -0.070 0.000 1.015 1269 G CA -0.003 45.053 45.100 -0.073 0.000 0.891 1269 G HN 0.631 nan 8.290 nan 0.000 0.510 1270 D N -0.972 119.296 120.400 -0.221 0.000 2.857 1270 D HA 0.579 5.069 4.640 -0.249 0.000 0.227 1270 D C -1.136 174.964 176.300 -0.333 0.000 1.192 1270 D CA -0.727 53.194 54.000 -0.132 0.000 0.857 1270 D CB 1.607 42.358 40.800 -0.081 0.000 1.645 1270 D HN -0.099 nan 8.370 nan 0.000 0.482 1271 F N 2.169 122.141 119.950 0.036 0.000 2.749 1271 F HA 0.355 4.731 4.527 -0.251 0.000 0.380 1271 F C 1.445 177.200 175.800 -0.073 0.000 1.365 1271 F CA -0.654 57.332 58.000 -0.024 0.000 1.186 1271 F CB 1.433 40.482 39.000 0.082 0.000 1.080 1271 F HN 0.551 nan 8.300 nan 0.000 0.513 1272 G N 0.230 109.030 108.800 -0.000 0.000 2.403 1272 G HA2 -0.146 3.664 3.960 -0.249 0.000 0.216 1272 G HA3 -0.146 3.664 3.960 -0.249 0.000 0.216 1272 G C 1.671 176.540 174.900 -0.052 0.000 1.154 1272 G CA 0.567 45.649 45.100 -0.030 0.000 0.784 1272 G HN 0.109 nan 8.290 nan 0.000 0.538 1273 M N 1.260 120.801 119.600 -0.100 0.000 2.077 1273 M HA 0.168 4.498 4.480 -0.249 0.000 0.261 1273 M C 2.201 178.430 176.300 -0.119 0.000 1.070 1273 M CA 0.598 55.828 55.300 -0.116 0.000 1.125 1273 M CB -1.279 31.238 32.600 -0.140 0.000 1.339 1273 M HN 0.235 nan 8.290 nan 0.000 0.409 1290 M N 0.102 119.722 119.600 0.033 0.000 2.428 1290 M HA 0.319 4.650 4.480 -0.249 0.000 0.239 1290 M C 0.023 176.352 176.300 0.048 0.000 1.121 1290 M CA 0.121 55.441 55.300 0.034 0.000 1.019 1290 M CB 0.218 32.831 32.600 0.021 0.000 1.485 1290 M HN 0.278 nan 8.290 nan 0.000 0.484 1291 L N 3.461 124.721 121.223 0.062 0.000 2.416 1291 L HA 0.177 4.367 4.340 -0.249 0.000 0.272 1291 L C -1.625 175.323 176.870 0.131 0.000 1.161 1291 L CA -1.479 53.416 54.840 0.092 0.000 0.845 1291 L CB 0.307 42.427 42.059 0.101 0.000 1.119 1291 L HN -0.049 nan 8.230 nan 0.000 0.464 1292 P HA 0.033 nan 4.420 nan 0.000 0.225 1292 P C 1.194 178.727 177.300 0.389 0.000 1.768 1292 P CA -0.045 63.239 63.100 0.307 0.000 0.943 1292 P CB 0.191 32.031 31.700 0.234 0.000 1.936 1293 V N 1.462 121.509 119.914 0.221 0.000 2.313 1293 V HA -0.295 3.675 4.120 -0.249 0.000 0.253 1293 V C 2.284 178.439 176.094 0.100 0.000 1.070 1293 V CA 2.021 64.382 62.300 0.100 0.000 1.057 1293 V CB -0.959 30.806 31.823 -0.095 0.000 0.653 1293 V HN 0.372 nan 8.190 nan 0.000 0.450 1294 K N -1.701 118.767 120.400 0.114 0.000 2.504 1294 K HA -0.110 4.060 4.320 -0.249 0.000 0.195 1294 K C 1.464 178.014 176.600 -0.083 0.000 1.036 1294 K CA 0.805 57.024 56.287 -0.112 0.000 0.984 1294 K CB -0.054 32.263 32.500 -0.304 0.000 0.788 1294 K HN 0.591 nan 8.250 nan 0.000 0.488 1295 W N 0.040 121.500 121.300 0.267 0.000 3.008 1295 W HA 0.287 4.799 4.660 -0.246 0.000 0.355 1295 W C -0.018 176.730 176.519 0.382 0.000 1.095 1295 W CA -0.379 57.190 57.345 0.374 0.000 1.738 1295 W CB 0.329 29.973 29.460 0.307 0.000 1.091 1295 W HN -0.022 nan 8.180 nan 0.000 0.574 1296 M N 1.616 121.420 119.600 0.341 0.000 2.436 1296 M HA 0.308 4.639 4.480 -0.249 0.000 0.331 1296 M C -2.103 173.804 176.300 -0.654 0.000 1.135 1296 M CA -1.704 53.619 55.300 0.038 0.000 0.987 1296 M CB 2.196 34.927 32.600 0.217 0.000 1.687 1296 M HN -0.420 nan 8.290 nan 0.000 0.445 1297 P HA 0.237 nan 4.420 nan 0.000 0.276 1297 P C -2.566 173.862 177.300 -1.455 0.000 1.244 1297 P CA -1.387 60.659 63.100 -1.757 0.000 0.801 1297 P CB 0.203 31.319 31.700 -0.973 0.000 1.006 1298 P HA -0.216 nan 4.420 nan 0.000 0.214 1298 P C 1.476 178.072 177.300 -1.173 0.000 1.163 1298 P CA 1.798 64.036 63.100 -1.437 0.000 0.889 1298 P CB -0.266 30.966 31.700 -0.781 0.000 0.790 1299 E N 0.013 119.748 120.200 -0.775 0.000 2.409 1299 E HA -0.114 4.086 4.350 -0.249 0.000 0.198 1299 E C 1.541 177.782 176.600 -0.599 0.000 1.024 1299 E CA 1.395 57.475 56.400 -0.533 0.000 0.861 1299 E CB -0.679 28.802 29.700 -0.366 0.000 0.788 1299 E HN 0.183 nan 8.360 nan 0.000 0.521 1300 A N 1.363 123.708 122.820 -0.793 0.000 1.871 1300 A HA 0.077 4.247 4.320 -0.249 0.000 0.211 1300 A C 1.895 179.178 177.584 -0.502 0.000 1.207 1300 A CA 0.741 52.276 52.037 -0.835 0.000 0.620 1300 A CB -0.861 17.636 19.000 -0.838 0.000 0.860 1300 A HN 0.378 nan 8.150 nan 0.000 0.450 1301 F N -2.408 117.385 119.950 -0.262 0.000 2.780 1301 F HA 0.197 4.575 4.527 -0.250 0.000 0.299 1301 F C 1.764 177.494 175.800 -0.117 0.000 1.146 1301 F CA 0.219 58.137 58.000 -0.138 0.000 1.428 1301 F CB -0.170 38.762 39.000 -0.113 0.000 1.115 1301 F HN -0.018 nan 8.300 nan 0.000 0.583 1302 M N 0.271 119.804 119.600 -0.111 0.000 2.553 1302 M HA 0.091 4.422 4.480 -0.249 0.000 0.255 1302 M C 1.600 177.865 176.300 -0.060 0.000 1.181 1302 M CA 0.939 56.233 55.300 -0.010 0.000 1.210 1302 M CB -0.631 31.926 32.600 -0.072 0.000 1.280 1302 M HN 0.072 nan 8.290 nan 0.000 0.495 1303 E N 0.101 120.212 120.200 -0.148 0.000 2.474 1303 E HA 0.194 4.395 4.350 -0.249 0.000 0.195 1303 E C 0.866 177.403 176.600 -0.105 0.000 1.039 1303 E CA 0.349 56.684 56.400 -0.110 0.000 0.881 1303 E CB 0.177 29.801 29.700 -0.126 0.000 0.970 1303 E HN 0.683 nan 8.360 nan 0.000 0.486 1304 G N 2.250 110.961 108.800 -0.148 0.000 2.258 1304 G HA2 -0.299 3.511 3.960 -0.249 0.000 0.274 1304 G HA3 -0.299 3.511 3.960 -0.249 0.000 0.274 1304 G C 0.308 175.111 174.900 -0.163 0.000 1.021 1304 G CA 0.371 45.416 45.100 -0.092 0.000 0.798 1304 G HN 0.269 nan 8.290 nan 0.000 0.507 1305 I N -0.086 120.273 120.570 -0.352 0.000 2.342 1305 I HA 0.540 4.560 4.170 -0.249 0.000 0.291 1305 I C 0.084 175.885 176.117 -0.527 0.000 1.010 1305 I CA -0.570 60.569 61.300 -0.269 0.000 1.308 1305 I CB 0.664 38.550 38.000 -0.190 0.000 1.400 1305 I HN -0.008 nan 8.210 nan 0.000 0.488 1306 F N 3.892 123.833 119.950 -0.015 0.000 2.532 1306 F HA 0.643 5.021 4.527 -0.247 0.000 0.321 1306 F C 0.480 176.294 175.800 0.024 0.000 1.089 1306 F CA -0.436 57.568 58.000 0.007 0.000 0.926 1306 F CB 2.249 41.259 39.000 0.017 0.000 1.168 1306 F HN 0.448 nan 8.300 nan 0.000 0.459 1307 T N -2.664 112.014 114.554 0.206 0.000 2.671 1307 T HA 0.257 4.458 4.350 -0.249 0.000 0.300 1307 T C 0.308 175.127 174.700 0.199 0.000 1.238 1307 T CA -0.637 61.558 62.100 0.159 0.000 1.020 1307 T CB 1.306 70.231 68.868 0.095 0.000 1.503 1307 T HN 0.245 nan 8.240 nan 0.000 0.497 1308 S N -0.116 115.698 115.700 0.190 0.000 2.515 1308 S HA 0.049 4.370 4.470 -0.249 0.000 0.231 1308 S C 1.593 176.326 174.600 0.223 0.000 0.987 1308 S CA 0.201 58.546 58.200 0.243 0.000 0.936 1308 S CB -0.357 62.987 63.200 0.240 0.000 0.766 1308 S HN 0.462 nan 8.310 nan 0.000 0.528 1309 K N 1.276 121.767 120.400 0.152 0.000 2.486 1309 K HA 0.046 4.217 4.320 -0.249 0.000 0.194 1309 K C 2.045 178.754 176.600 0.182 0.000 1.033 1309 K CA 0.899 57.256 56.287 0.118 0.000 1.004 1309 K CB -0.595 31.949 32.500 0.073 0.000 0.798 1309 K HN 0.623 nan 8.250 nan 0.000 0.495 1310 T N -2.150 112.536 114.554 0.220 0.000 3.031 1310 T HA 0.002 4.203 4.350 -0.249 0.000 0.254 1310 T C 1.320 176.265 174.700 0.407 0.000 1.060 1310 T CA 0.383 62.641 62.100 0.263 0.000 1.135 1310 T CB 0.059 69.044 68.868 0.194 0.000 0.896 1310 T HN -0.102 nan 8.240 nan 0.000 0.472 1311 D N 1.683 122.343 120.400 0.433 0.000 2.178 1311 D HA -0.036 4.455 4.640 -0.249 0.000 0.201 1311 D C 2.174 178.845 176.300 0.619 0.000 0.980 1311 D CA 1.215 55.540 54.000 0.542 0.000 0.842 1311 D CB -0.600 40.531 40.800 0.551 0.000 0.948 1311 D HN 0.396 nan 8.370 nan 0.000 0.472 1312 T N 0.434 115.199 114.554 0.353 0.000 2.684 1312 T HA -0.179 4.021 4.350 -0.249 0.000 0.267 1312 T C 1.594 176.473 174.700 0.298 0.000 1.036 1312 T CA 0.914 63.040 62.100 0.044 0.000 1.148 1312 T CB -0.238 68.526 68.868 -0.173 0.000 0.863 1312 T HN 0.337 nan 8.240 nan 0.000 0.436 1313 W N 2.140 123.574 121.300 0.224 0.000 2.335 1313 W HA -0.169 4.341 4.660 -0.250 0.000 0.311 1313 W C 2.301 179.095 176.519 0.457 0.000 1.213 1313 W CA 1.530 59.078 57.345 0.338 0.000 1.274 1313 W CB -0.909 28.711 29.460 0.267 0.000 1.148 1313 W HN 0.246 nan 8.180 nan 0.000 0.498 1314 S N 0.893 117.097 115.700 0.840 0.000 2.359 1314 S HA -0.270 4.050 4.470 -0.249 0.000 0.224 1314 S C 1.620 176.610 174.600 0.649 0.000 1.035 1314 S CA 1.785 60.454 58.200 0.782 0.000 1.018 1314 S CB -1.306 62.291 63.200 0.661 0.000 0.876 1314 S HN 0.321 nan 8.310 nan 0.000 0.448 1315 F N 2.661 122.883 119.950 0.453 0.000 2.091 1315 F HA -0.121 4.256 4.527 -0.250 0.000 0.299 1315 F C 2.357 178.318 175.800 0.269 0.000 1.103 1315 F CA 1.383 59.607 58.000 0.373 0.000 1.228 1315 F CB -1.099 38.176 39.000 0.458 0.000 0.984 1315 F HN 0.229 nan 8.300 nan 0.000 0.477 1316 G N -0.093 108.815 108.800 0.181 0.000 2.505 1316 G HA2 -0.279 3.532 3.960 -0.249 0.000 0.220 1316 G HA3 -0.279 3.532 3.960 -0.249 0.000 0.220 1316 G C 1.723 176.715 174.900 0.153 0.000 1.145 1316 G CA 1.476 46.482 45.100 -0.157 0.000 0.761 1316 G HN 0.378 nan 8.290 nan 0.000 0.571 1317 V N 0.809 121.017 119.914 0.490 0.000 2.427 1317 V HA -0.096 3.874 4.120 -0.249 0.000 0.248 1317 V C 2.633 178.965 176.094 0.397 0.000 1.051 1317 V CA 1.494 64.065 62.300 0.453 0.000 1.048 1317 V CB -0.413 31.547 31.823 0.229 0.000 0.666 1317 V HN 0.390 nan 8.190 nan 0.000 0.456 1318 L N -0.111 121.322 121.223 0.351 0.000 2.079 1318 L HA -0.138 4.053 4.340 -0.249 0.000 0.210 1318 L C 2.146 179.090 176.870 0.123 0.000 1.081 1318 L CA 1.887 56.885 54.840 0.263 0.000 0.752 1318 L CB -0.775 41.353 42.059 0.114 0.000 0.896 1318 L HN 0.220 nan 8.230 nan 0.000 0.433 1319 L N -1.417 119.773 121.223 -0.054 0.000 2.083 1319 L HA -0.183 4.007 4.340 -0.249 0.000 0.209 1319 L C 2.238 179.283 176.870 0.291 0.000 1.083 1319 L CA 1.914 56.761 54.840 0.011 0.000 0.752 1319 L CB -0.924 41.025 42.059 -0.183 0.000 0.899 1319 L HN 0.576 nan 8.230 nan 0.000 0.433 1320 W N 0.578 121.959 121.300 0.135 0.000 2.379 1320 W HA -0.178 4.332 4.660 -0.250 0.000 0.307 1320 W C 2.382 179.014 176.519 0.190 0.000 1.200 1320 W CA 1.870 59.331 57.345 0.194 0.000 1.297 1320 W CB 0.016 29.612 29.460 0.227 0.000 1.140 1320 W HN 0.183 nan 8.180 nan 0.000 0.507 1321 E N 0.222 120.752 120.200 0.550 0.000 2.049 1321 E HA -0.310 3.891 4.350 -0.249 0.000 0.198 1321 E C 2.081 178.774 176.600 0.156 0.000 1.007 1321 E CA 2.188 58.822 56.400 0.391 0.000 0.809 1321 E CB -0.719 29.235 29.700 0.423 0.000 0.749 1321 E HN 0.359 nan 8.360 nan 0.000 0.450 1322 I N 0.143 120.789 120.570 0.127 0.000 2.118 1322 I HA -0.287 3.733 4.170 -0.249 0.000 0.241 1322 I C 2.096 178.100 176.117 -0.188 0.000 1.070 1322 I CA 1.417 62.698 61.300 -0.031 0.000 1.327 1322 I CB -0.256 37.705 38.000 -0.065 0.000 1.034 1322 I HN 0.047 nan 8.210 nan 0.000 0.405 1323 F N 0.550 120.441 119.950 -0.097 0.000 2.710 1323 F HA -0.075 4.303 4.527 -0.249 0.000 0.298 1323 F C 2.661 178.291 175.800 -0.283 0.000 1.137 1323 F CA 0.918 58.822 58.000 -0.160 0.000 1.444 1323 F CB -0.326 38.584 39.000 -0.149 0.000 1.111 1323 F HN 0.095 nan 8.300 nan 0.000 0.580 1324 S N -0.412 115.101 115.700 -0.311 0.000 2.528 1324 S HA 0.056 4.377 4.470 -0.249 0.000 0.219 1324 S C 0.890 175.473 174.600 -0.028 0.000 0.985 1324 S CA 0.093 58.060 58.200 -0.389 0.000 0.914 1324 S CB -0.434 62.240 63.200 -0.876 0.000 0.776 1324 S HN 0.340 nan 8.310 nan 0.000 0.526 1325 L N 0.272 121.480 121.223 -0.025 0.000 3.610 1325 L HA -0.126 4.064 4.340 -0.249 0.000 0.425 1325 L C 0.898 177.797 176.870 0.047 0.000 1.254 1325 L CA 0.073 54.917 54.840 0.007 0.000 0.874 1325 L CB -2.163 39.895 42.059 -0.001 0.000 1.932 1325 L HN 0.635 nan 8.230 nan 0.000 0.790 1326 G N -2.334 106.523 108.800 0.095 0.000 2.134 1326 G HA2 -0.300 3.510 3.960 -0.249 0.000 0.209 1326 G HA3 -0.300 3.510 3.960 -0.249 0.000 0.209 1326 G C -0.038 174.925 174.900 0.105 0.000 0.993 1326 G CA 0.017 45.175 45.100 0.095 0.000 0.669 1326 G HN 0.348 nan 8.290 nan 0.000 0.519 1327 Y N -0.668 119.694 120.300 0.105 0.000 2.379 1327 Y HA 0.561 4.962 4.550 -0.249 0.000 0.337 1327 Y C 1.032 177.144 175.900 0.353 0.000 1.238 1327 Y CA -0.233 57.988 58.100 0.202 0.000 1.405 1327 Y CB 0.684 39.261 38.460 0.195 0.000 1.310 1327 Y HN 0.254 nan 8.280 nan 0.000 0.569 1328 M N 6.680 126.538 119.600 0.430 0.000 2.217 1328 M HA 0.250 4.580 4.480 -0.249 0.000 0.352 1328 M C -2.453 174.001 176.300 0.257 0.000 1.376 1328 M CA -1.982 53.515 55.300 0.327 0.000 1.107 1328 M CB 0.159 32.893 32.600 0.224 0.000 1.723 1328 M HN 0.227 nan 8.290 nan 0.000 0.461 1329 P HA -0.061 nan 4.420 nan 0.000 0.268 1329 P C -1.052 176.059 177.300 -0.316 0.000 1.208 1329 P CA 0.383 63.194 63.100 -0.482 0.000 0.777 1329 P CB -0.129 31.200 31.700 -0.618 0.000 0.875 1330 Y N -1.247 118.664 120.300 -0.648 0.000 2.986 1330 Y HA -0.185 4.216 4.550 -0.250 0.000 0.200 1330 Y C -1.371 174.368 175.900 -0.268 0.000 1.324 1330 Y CA -0.534 57.287 58.100 -0.464 0.000 0.825 1330 Y CB -2.313 35.886 38.460 -0.436 0.000 1.251 1330 Y HN 0.380 nan 8.280 nan 0.000 0.413 1331 P HA 0.034 nan 4.420 nan 0.000 0.264 1331 P C 0.685 177.984 177.300 -0.000 0.000 1.193 1331 P CA 1.271 64.399 63.100 0.048 0.000 0.763 1331 P CB 1.653 33.439 31.700 0.143 0.000 0.810 1332 S N -0.282 115.423 115.700 0.009 0.000 2.372 1332 S HA -0.113 4.207 4.470 -0.249 0.000 0.257 1332 S C 0.253 174.822 174.600 -0.052 0.000 1.282 1332 S CA 0.777 58.967 58.200 -0.017 0.000 1.305 1332 S CB -1.287 61.898 63.200 -0.026 0.000 1.614 1332 S HN 0.641 nan 8.310 nan 0.000 0.631 1333 K N 2.415 122.770 120.400 -0.074 0.000 2.159 1333 K HA 0.544 4.714 4.320 -0.249 0.000 0.266 1333 K C 0.467 177.009 176.600 -0.096 0.000 0.975 1333 K CA -0.041 56.175 56.287 -0.118 0.000 0.865 1333 K CB 1.483 33.860 32.500 -0.206 0.000 1.087 1333 K HN 0.391 nan 8.250 nan 0.000 0.446 1334 S N 1.511 117.155 115.700 -0.094 0.000 2.634 1334 S HA 0.072 4.392 4.470 -0.249 0.000 0.261 1334 S C 0.975 175.501 174.600 -0.124 0.000 1.271 1334 S CA -0.530 57.622 58.200 -0.081 0.000 0.985 1334 S CB 0.610 63.771 63.200 -0.064 0.000 0.968 1334 S HN 0.518 nan 8.310 nan 0.000 0.568 1335 N N 0.947 119.585 118.700 -0.103 0.000 2.036 1335 N HA -0.173 4.418 4.740 -0.249 0.000 0.195 1335 N C 1.799 177.189 175.510 -0.199 0.000 1.037 1335 N CA 1.866 54.832 53.050 -0.141 0.000 0.855 1335 N CB -0.768 37.666 38.487 -0.089 0.000 1.033 1335 N HN 0.807 nan 8.380 nan 0.000 0.423 1336 Q N 0.997 120.705 119.800 -0.153 0.000 2.167 1336 Q HA -0.042 4.148 4.340 -0.249 0.000 0.202 1336 Q C 1.445 177.351 176.000 -0.157 0.000 0.970 1336 Q CA 1.466 57.174 55.803 -0.159 0.000 0.855 1336 Q CB -0.088 28.588 28.738 -0.103 0.000 0.911 1336 Q HN 0.468 nan 8.270 nan 0.000 0.438 1337 E N -1.019 119.097 120.200 -0.140 0.000 2.150 1337 E HA -0.127 4.074 4.350 -0.249 0.000 0.193 1337 E C 1.909 178.417 176.600 -0.155 0.000 0.985 1337 E CA 1.243 57.570 56.400 -0.122 0.000 0.814 1337 E CB 0.080 29.706 29.700 -0.122 0.000 0.752 1337 E HN 0.186 nan 8.360 nan 0.000 0.466 1338 V N 1.580 121.332 119.914 -0.270 0.000 2.307 1338 V HA -0.227 3.744 4.120 -0.249 0.000 0.245 1338 V C 2.303 178.201 176.094 -0.327 0.000 1.045 1338 V CA 1.312 63.362 62.300 -0.416 0.000 1.024 1338 V CB -0.395 31.042 31.823 -0.643 0.000 0.651 1338 V HN 0.303 nan 8.190 nan 0.000 0.449 1339 L N -0.149 120.827 121.223 -0.411 0.000 2.043 1339 L HA -0.261 3.930 4.340 -0.249 0.000 0.212 1339 L C 2.583 179.317 176.870 -0.227 0.000 1.075 1339 L CA 2.014 56.513 54.840 -0.568 0.000 0.752 1339 L CB -0.176 41.486 42.059 -0.661 0.000 0.891 1339 L HN 0.436 nan 8.230 nan 0.000 0.432 1340 E N -1.096 119.035 120.200 -0.114 0.000 2.122 1340 E HA -0.194 4.006 4.350 -0.249 0.000 0.190 1340 E C 1.913 178.550 176.600 0.061 0.000 0.977 1340 E CA 0.943 57.335 56.400 -0.013 0.000 0.820 1340 E CB -0.161 29.533 29.700 -0.011 0.000 0.770 1340 E HN 0.452 nan 8.360 nan 0.000 0.462 1341 F N 1.615 121.507 119.950 -0.096 0.000 2.069 1341 F HA -0.251 4.127 4.527 -0.249 0.000 0.298 1341 F C 2.116 177.911 175.800 -0.009 0.000 1.113 1341 F CA 1.286 59.252 58.000 -0.058 0.000 1.214 1341 F CB -0.312 38.630 39.000 -0.096 0.000 0.978 1341 F HN -0.212 nan 8.300 nan 0.000 0.474 1342 V N 0.132 120.089 119.914 0.072 0.000 2.515 1342 V HA -0.261 3.710 4.120 -0.249 0.000 0.250 1342 V C 2.483 178.641 176.094 0.106 0.000 1.058 1342 V CA 2.206 64.549 62.300 0.070 0.000 1.064 1342 V CB -1.137 30.784 31.823 0.164 0.000 0.675 1342 V HN 0.653 nan 8.190 nan 0.000 0.461 1343 T N -3.927 110.704 114.554 0.129 0.000 3.023 1343 T HA -0.053 4.148 4.350 -0.249 0.000 0.266 1343 T C 1.689 176.443 174.700 0.090 0.000 1.093 1343 T CA 1.214 63.412 62.100 0.164 0.000 1.129 1343 T CB -0.129 68.851 68.868 0.187 0.000 0.899 1343 T HN 0.315 nan 8.240 nan 0.000 0.491 1344 S N 0.524 116.229 115.700 0.008 0.000 2.650 1344 S HA 0.412 4.732 4.470 -0.249 0.000 0.219 1344 S C 1.718 176.269 174.600 -0.082 0.000 0.960 1344 S CA 0.396 58.572 58.200 -0.039 0.000 0.925 1344 S CB -0.506 62.662 63.200 -0.053 0.000 0.775 1344 S HN 0.995 nan 8.310 nan 0.000 0.525 1345 G N 0.955 109.719 108.800 -0.060 0.000 2.157 1345 G HA2 -0.176 3.634 3.960 -0.249 0.000 0.239 1345 G HA3 -0.176 3.634 3.960 -0.249 0.000 0.239 1345 G C 0.297 175.051 174.900 -0.243 0.000 0.982 1345 G CA -0.304 44.753 45.100 -0.072 0.000 0.650 1345 G HN 0.785 nan 8.290 nan 0.000 0.527 1346 G N -0.266 108.174 108.800 -0.601 0.000 2.442 1346 G HA2 0.558 4.369 3.960 -0.249 0.000 0.249 1346 G HA3 0.558 4.369 3.960 -0.249 0.000 0.249 1346 G C -0.066 174.391 174.900 -0.738 0.000 1.263 1346 G CA -0.183 44.113 45.100 -1.339 0.000 0.846 1346 G HN 0.378 nan 8.290 nan 0.000 0.555 1347 R N 1.458 121.815 120.500 -0.238 0.000 2.651 1347 R HA 0.263 4.454 4.340 -0.249 0.000 0.278 1347 R C 0.076 176.482 176.300 0.175 0.000 1.010 1347 R CA -0.939 55.175 56.100 0.023 0.000 0.896 1347 R CB 1.559 31.887 30.300 0.046 0.000 1.211 1347 R HN 0.612 nan 8.270 nan 0.000 0.456 1348 M N 1.652 121.146 119.600 -0.176 0.000 2.252 1348 M HA 0.050 4.381 4.480 -0.249 0.000 0.321 1348 M C 0.247 176.677 176.300 0.218 0.000 1.070 1348 M CA 0.570 55.745 55.300 -0.209 0.000 1.143 1348 M CB 0.228 32.302 32.600 -0.876 0.000 1.498 1348 M HN 0.271 nan 8.290 nan 0.000 0.445 1349 D N 2.130 122.653 120.400 0.206 0.000 2.371 1349 D HA 0.267 4.757 4.640 -0.249 0.000 0.242 1349 D C -2.263 174.174 176.300 0.229 0.000 1.218 1349 D CA -1.031 53.080 54.000 0.185 0.000 0.945 1349 D CB -0.119 40.725 40.800 0.074 0.000 1.137 1349 D HN 0.247 nan 8.370 nan 0.000 0.464 1350 P HA 0.107 nan 4.420 nan 0.000 0.266 1350 P C -2.350 174.887 177.300 -0.104 0.000 1.195 1350 P CA -0.575 62.276 63.100 -0.414 0.000 0.768 1350 P CB -0.217 31.052 31.700 -0.718 0.000 0.838 1351 P HA 0.049 nan 4.420 nan 0.000 0.271 1351 P C -0.354 176.793 177.300 -0.255 0.000 1.244 1351 P CA -0.277 62.563 63.100 -0.433 0.000 0.793 1351 P CB 0.321 31.628 31.700 -0.655 0.000 0.984 1352 K N 1.904 122.151 120.400 -0.255 0.000 2.436 1352 K HA -0.051 4.119 4.320 -0.249 0.000 0.282 1352 K C 0.122 176.654 176.600 -0.114 0.000 1.044 1352 K CA 0.342 56.530 56.287 -0.164 0.000 1.028 1352 K CB -0.631 31.777 32.500 -0.154 0.000 0.919 1352 K HN 0.333 nan 8.250 nan 0.000 0.474 1353 N N 1.282 119.927 118.700 -0.091 0.000 2.984 1353 N HA -0.215 4.375 4.740 -0.249 0.000 0.227 1353 N C -0.629 174.855 175.510 -0.042 0.000 0.903 1353 N CA 1.021 54.038 53.050 -0.056 0.000 0.995 1353 N CB -1.996 36.471 38.487 -0.033 0.000 1.065 1353 N HN 0.645 nan 8.380 nan 0.000 0.585 1354 C N 2.929 122.188 119.300 -0.069 0.000 2.633 1354 C HA 0.305 4.616 4.460 -0.249 0.000 0.415 1354 C C -1.605 173.331 174.990 -0.090 0.000 1.393 1354 C CA -1.149 57.828 59.018 -0.069 0.000 1.700 1354 C CB -0.523 27.144 27.740 -0.122 0.000 2.541 1354 C HN 0.210 nan 8.230 nan 0.000 0.603 1355 P HA 0.185 nan 4.420 nan 0.000 0.268 1355 P C 0.852 178.122 177.300 -0.050 0.000 1.205 1355 P CA 0.517 63.581 63.100 -0.060 0.000 0.771 1355 P CB 0.506 32.177 31.700 -0.048 0.000 0.858 1356 G N 3.905 112.697 108.800 -0.014 0.000 2.505 1356 G HA2 -0.216 3.594 3.960 -0.249 0.000 0.220 1356 G HA3 -0.216 3.594 3.960 -0.249 0.000 0.220 1356 G C -1.032 173.885 174.900 0.027 0.000 1.145 1356 G CA 0.902 46.023 45.100 0.035 0.000 0.761 1356 G HN 0.456 nan 8.290 nan 0.000 0.571 1357 P HA 0.013 nan 4.420 nan 0.000 0.218 1357 P C 2.000 179.256 177.300 -0.075 0.000 1.149 1357 P CA 0.525 63.616 63.100 -0.016 0.000 0.817 1357 P CB 0.005 31.717 31.700 0.021 0.000 0.785 1358 V N -1.415 118.414 119.914 -0.142 0.000 2.407 1358 V HA -0.224 3.746 4.120 -0.249 0.000 0.245 1358 V C 2.299 178.245 176.094 -0.247 0.000 1.041 1358 V CA 1.425 63.545 62.300 -0.299 0.000 1.040 1358 V CB -1.382 30.050 31.823 -0.651 0.000 0.671 1358 V HN 0.007 nan 8.190 nan 0.000 0.455 1359 Y N 1.473 121.607 120.300 -0.278 0.000 2.224 1359 Y HA -0.246 4.154 4.550 -0.249 0.000 0.289 1359 Y C 2.677 178.451 175.900 -0.210 0.000 1.146 1359 Y CA 2.046 60.020 58.100 -0.211 0.000 1.182 1359 Y CB -0.318 38.074 38.460 -0.115 0.000 0.983 1359 Y HN 0.115 nan 8.280 nan 0.000 0.524 1360 R N 0.120 120.519 120.500 -0.170 0.000 2.096 1360 R HA -0.135 4.055 4.340 -0.249 0.000 0.235 1360 R C 2.163 178.283 176.300 -0.300 0.000 1.127 1360 R CA 1.875 57.836 56.100 -0.232 0.000 0.968 1360 R CB -0.431 29.807 30.300 -0.104 0.000 0.861 1360 R HN 0.471 nan 8.270 nan 0.000 0.440 1361 I N 0.052 120.463 120.570 -0.266 0.000 2.252 1361 I HA -0.312 3.708 4.170 -0.249 0.000 0.245 1361 I C 2.297 178.143 176.117 -0.452 0.000 1.102 1361 I CA 1.348 62.489 61.300 -0.265 0.000 1.385 1361 I CB -0.245 37.664 38.000 -0.151 0.000 1.064 1361 I HN 0.252 nan 8.210 nan 0.000 0.414 1362 M N 0.435 119.663 119.600 -0.619 0.000 2.082 1362 M HA -0.235 4.096 4.480 -0.249 0.000 0.258 1362 M C 2.460 177.842 176.300 -1.529 0.000 1.069 1362 M CA 2.682 57.289 55.300 -1.154 0.000 1.102 1362 M CB -0.893 31.024 32.600 -1.139 0.000 1.336 1362 M HN 0.438 nan 8.290 nan 0.000 0.404 1363 T N -2.472 111.465 114.554 -1.028 0.000 3.023 1363 T HA -0.056 4.145 4.350 -0.249 0.000 0.266 1363 T C 1.775 176.244 174.700 -0.386 0.000 1.093 1363 T CA 0.602 62.336 62.100 -0.611 0.000 1.129 1363 T CB -0.154 68.435 68.868 -0.465 0.000 0.899 1363 T HN 0.296 nan 8.240 nan 0.000 0.491 1364 Q N 0.352 119.917 119.800 -0.392 0.000 2.119 1364 Q HA 0.010 4.200 4.340 -0.249 0.000 0.201 1364 Q C 2.603 178.452 176.000 -0.253 0.000 0.972 1364 Q CA 1.172 56.825 55.803 -0.251 0.000 0.847 1364 Q CB -0.815 27.796 28.738 -0.211 0.000 0.903 1364 Q HN 0.623 nan 8.270 nan 0.000 0.433 1365 C N -0.681 118.373 119.300 -0.409 0.000 2.432 1365 C HA -0.102 4.208 4.460 -0.249 0.000 0.282 1365 C C 1.684 176.503 174.990 -0.285 0.000 1.388 1365 C CA -0.048 58.764 59.018 -0.343 0.000 1.777 1365 C CB -0.957 26.529 27.740 -0.424 0.000 1.882 1365 C HN 0.553 nan 8.230 nan 0.000 0.520 1366 W N 0.465 121.480 121.300 -0.475 0.000 3.330 1366 W HA 0.271 4.781 4.660 -0.250 0.000 0.348 1366 W C 0.695 177.038 176.519 -0.293 0.000 1.205 1366 W CA -0.483 56.345 57.345 -0.861 0.000 1.841 1366 W CB -1.035 27.865 29.460 -0.933 0.000 1.084 1366 W HN 0.362 nan 8.180 nan 0.000 0.665 1367 Q N 0.172 120.023 119.800 0.086 0.000 2.333 1367 Q HA -0.136 4.055 4.340 -0.249 0.000 0.299 1367 Q C 1.280 177.456 176.000 0.294 0.000 1.067 1367 Q CA 0.794 56.689 55.803 0.154 0.000 0.943 1367 Q CB 0.811 29.598 28.738 0.081 0.000 1.233 1367 Q HN 0.362 nan 8.270 nan 0.000 0.401 1368 H N 1.821 121.010 119.070 0.198 0.000 2.321 1368 H HA -0.071 4.336 4.556 -0.249 0.000 0.300 1368 H C 0.002 175.399 175.328 0.115 0.000 1.087 1368 H CA 1.272 57.434 56.048 0.190 0.000 1.319 1368 H CB 0.655 30.477 29.762 0.101 0.000 1.379 1368 H HN 0.389 nan 8.280 nan 0.000 0.501 1369 Q N 1.480 121.420 119.800 0.233 0.000 2.293 1369 Q HA 0.034 4.224 4.340 -0.249 0.000 0.263 1369 Q C -1.698 174.350 176.000 0.080 0.000 1.002 1369 Q CA -1.708 54.176 55.803 0.135 0.000 0.910 1369 Q CB 1.108 29.911 28.738 0.107 0.000 1.185 1369 Q HN 0.421 nan 8.270 nan 0.000 0.401 1370 P HA -0.243 nan 4.420 nan 0.000 0.216 1370 P C 0.989 178.311 177.300 0.037 0.000 1.154 1370 P CA 1.530 64.653 63.100 0.038 0.000 0.865 1370 P CB 0.265 31.968 31.700 0.004 0.000 0.789 1371 E N -0.410 119.808 120.200 0.030 0.000 2.265 1371 E HA -0.175 4.025 4.350 -0.249 0.000 0.196 1371 E C 0.920 177.530 176.600 0.017 0.000 0.996 1371 E CA 1.087 57.499 56.400 0.021 0.000 0.832 1371 E CB -1.030 28.680 29.700 0.018 0.000 0.756 1371 E HN 0.291 nan 8.360 nan 0.000 0.491 1372 D N 0.903 121.320 120.400 0.029 0.000 2.348 1372 D HA 0.038 4.528 4.640 -0.249 0.000 0.211 1372 D C 0.394 176.696 176.300 0.003 0.000 0.998 1372 D CA 0.205 54.216 54.000 0.019 0.000 0.873 1372 D CB 0.175 40.997 40.800 0.037 0.000 0.925 1372 D HN 0.178 nan 8.370 nan 0.000 0.524 1373 R N 1.780 122.286 120.500 0.011 0.000 2.490 1373 R HA 0.319 4.510 4.340 -0.249 0.000 0.278 1373 R C -2.280 173.982 176.300 -0.064 0.000 1.069 1373 R CA -1.485 54.603 56.100 -0.020 0.000 1.080 1373 R CB 0.008 30.322 30.300 0.024 0.000 1.030 1373 R HN -0.016 nan 8.270 nan 0.000 0.491 1374 P HA -0.011 nan 4.420 nan 0.000 0.274 1374 P C -1.005 176.174 177.300 -0.201 0.000 1.231 1374 P CA -0.409 62.610 63.100 -0.136 0.000 0.790 1374 P CB 0.498 32.109 31.700 -0.148 0.000 0.951 1375 N N 0.265 118.871 118.700 -0.156 0.000 2.413 1375 N HA 0.126 4.716 4.740 -0.249 0.000 0.266 1375 N C 0.382 175.763 175.510 -0.214 0.000 1.238 1375 N CA -0.414 52.533 53.050 -0.171 0.000 0.972 1375 N CB -0.297 38.169 38.487 -0.036 0.000 1.210 1375 N HN 0.167 nan 8.380 nan 0.000 0.547 1376 F N -0.985 118.928 119.950 -0.062 0.000 2.502 1376 F HA 0.185 4.563 4.527 -0.248 0.000 0.298 1376 F C 2.321 178.067 175.800 -0.089 0.000 1.111 1376 F CA 0.969 58.897 58.000 -0.120 0.000 1.445 1376 F CB -0.511 38.397 39.000 -0.154 0.000 1.081 1376 F HN 0.704 nan 8.300 nan 0.000 0.558 1377 A N 0.293 123.169 122.820 0.094 0.000 1.933 1377 A HA -0.127 4.044 4.320 -0.249 0.000 0.218 1377 A C 2.208 179.803 177.584 0.020 0.000 1.175 1377 A CA 1.504 53.572 52.037 0.053 0.000 0.628 1377 A CB -0.860 18.163 19.000 0.039 0.000 0.814 1377 A HN 0.384 nan 8.150 nan 0.000 0.444 1378 I N -0.390 120.171 120.570 -0.015 0.000 2.406 1378 I HA -0.170 3.851 4.170 -0.249 0.000 0.249 1378 I C 2.211 178.305 176.117 -0.039 0.000 1.122 1378 I CA 0.794 62.074 61.300 -0.035 0.000 1.431 1378 I CB -0.262 37.703 38.000 -0.058 0.000 1.087 1378 I HN 0.282 nan 8.210 nan 0.000 0.424 1379 I N 0.265 120.794 120.570 -0.068 0.000 2.163 1379 I HA -0.315 3.706 4.170 -0.249 0.000 0.243 1379 I C 2.561 178.694 176.117 0.027 0.000 1.085 1379 I CA 1.277 62.548 61.300 -0.048 0.000 1.347 1379 I CB -0.350 37.565 38.000 -0.140 0.000 1.044 1379 I HN 0.236 nan 8.210 nan 0.000 0.408 1380 L N 1.050 122.296 121.223 0.038 0.000 2.013 1380 L HA -0.245 3.946 4.340 -0.249 0.000 0.212 1380 L C 2.428 179.341 176.870 0.073 0.000 1.073 1380 L CA 1.892 56.772 54.840 0.067 0.000 0.753 1380 L CB -0.827 41.270 42.059 0.064 0.000 0.890 1380 L HN 0.235 nan 8.230 nan 0.000 0.432 1381 E N -1.145 119.086 120.200 0.051 0.000 2.118 1381 E HA -0.246 3.954 4.350 -0.249 0.000 0.195 1381 E C 2.240 178.888 176.600 0.080 0.000 0.992 1381 E CA 1.316 57.749 56.400 0.055 0.000 0.804 1381 E CB -0.085 29.627 29.700 0.019 0.000 0.741 1381 E HN 0.499 nan 8.360 nan 0.000 0.458 1382 R N 0.048 120.584 120.500 0.060 0.000 2.127 1382 R HA 0.071 4.261 4.340 -0.249 0.000 0.217 1382 R C 2.329 178.700 176.300 0.119 0.000 1.074 1382 R CA 0.501 56.644 56.100 0.071 0.000 0.991 1382 R CB -0.018 30.288 30.300 0.012 0.000 0.895 1382 R HN 0.174 nan 8.270 nan 0.000 0.450 1383 I N 0.977 121.622 120.570 0.124 0.000 2.394 1383 I HA -0.220 3.801 4.170 -0.249 0.000 0.251 1383 I C 1.784 177.994 176.117 0.154 0.000 1.136 1383 I CA 1.360 62.752 61.300 0.153 0.000 1.425 1383 I CB -0.139 37.979 38.000 0.197 0.000 1.079 1383 I HN 0.213 nan 8.210 nan 0.000 0.425 1384 E N 0.044 120.333 120.200 0.149 0.000 2.072 1384 E HA -0.248 3.953 4.350 -0.249 0.000 0.191 1384 E C 2.048 178.739 176.600 0.152 0.000 0.985 1384 E CA 1.250 57.735 56.400 0.142 0.000 0.801 1384 E CB -0.150 29.626 29.700 0.127 0.000 0.750 1384 E HN 0.423 nan 8.360 nan 0.000 0.452 1385 Y N 0.636 120.959 120.300 0.038 0.000 2.181 1385 Y HA -0.273 4.127 4.550 -0.249 0.000 0.288 1385 Y C 2.247 178.161 175.900 0.024 0.000 1.146 1385 Y CA 1.082 59.197 58.100 0.025 0.000 1.164 1385 Y CB -0.303 38.165 38.460 0.013 0.000 0.982 1385 Y HN 0.097 nan 8.280 nan 0.000 0.515 1386 C N -0.565 118.822 119.300 0.144 0.000 2.413 1386 C HA -0.214 4.097 4.460 -0.249 0.000 0.277 1386 C C 2.575 177.571 174.990 0.010 0.000 1.265 1386 C CA 1.921 60.973 59.018 0.056 0.000 1.752 1386 C CB -1.401 26.379 27.740 0.067 0.000 1.998 1386 C HN 0.594 nan 8.230 nan 0.000 0.489 1387 T N 0.046 114.623 114.554 0.037 0.000 2.995 1387 T HA -0.126 4.075 4.350 -0.249 0.000 0.269 1387 T C 1.681 176.374 174.700 -0.011 0.000 1.091 1387 T CA 1.091 63.211 62.100 0.032 0.000 1.128 1387 T CB -0.220 68.707 68.868 0.099 0.000 0.891 1387 T HN 0.671 nan 8.240 nan 0.000 0.492 1388 Q N 0.417 120.176 119.800 -0.069 0.000 2.408 1388 Q HA 0.067 4.258 4.340 -0.249 0.000 0.205 1388 Q C 0.206 176.108 176.000 -0.163 0.000 0.919 1388 Q CA 0.137 55.869 55.803 -0.117 0.000 0.932 1388 Q CB 0.313 28.945 28.738 -0.176 0.000 1.058 1388 Q HN 0.266 nan 8.270 nan 0.000 0.517 1389 D N 0.874 121.169 120.400 -0.175 0.000 2.339 1389 D HA 0.086 4.576 4.640 -0.249 0.000 0.241 1389 D C -1.922 174.329 176.300 -0.082 0.000 1.183 1389 D CA -2.310 51.593 54.000 -0.162 0.000 0.859 1389 D CB 1.567 42.269 40.800 -0.162 0.000 1.067 1389 D HN -0.135 nan 8.370 nan 0.000 0.484 1390 P HA -0.106 nan 4.420 nan 0.000 0.216 1390 P C 0.792 178.074 177.300 -0.030 0.000 1.150 1390 P CA 0.733 63.809 63.100 -0.040 0.000 0.837 1390 P CB 0.383 32.062 31.700 -0.035 0.000 0.786 1391 D N -1.026 119.355 120.400 -0.031 0.000 2.190 1391 D HA -0.110 4.380 4.640 -0.249 0.000 0.200 1391 D C 1.905 178.196 176.300 -0.015 0.000 0.992 1391 D CA 0.998 54.986 54.000 -0.020 0.000 0.854 1391 D CB -0.443 40.348 40.800 -0.016 0.000 0.936 1391 D HN 0.032 nan 8.370 nan 0.000 0.462 1392 V N 1.419 121.322 119.914 -0.018 0.000 2.331 1392 V HA -0.129 3.841 4.120 -0.249 0.000 0.242 1392 V C 2.397 178.496 176.094 0.008 0.000 1.034 1392 V CA 1.217 63.514 62.300 -0.005 0.000 1.027 1392 V CB -0.358 31.463 31.823 -0.004 0.000 0.667 1392 V HN 0.252 nan 8.190 nan 0.000 0.457 1393 I N -1.800 118.768 120.570 -0.003 0.000 3.251 1393 I HA 0.083 4.103 4.170 -0.249 0.000 0.277 1393 I C 1.410 177.523 176.117 -0.006 0.000 1.268 1393 I CA 1.032 62.330 61.300 -0.003 0.000 1.449 1393 I CB -0.405 37.582 38.000 -0.020 0.000 1.083 1393 I HN 0.163 nan 8.210 nan 0.000 0.464 1394 N N 1.556 120.251 118.700 -0.008 0.000 2.370 1394 N HA 0.084 4.674 4.740 -0.249 0.000 0.198 1394 N C -0.121 175.387 175.510 -0.004 0.000 1.156 1394 N CA 0.272 53.318 53.050 -0.007 0.000 0.839 1394 N CB 0.149 38.630 38.487 -0.010 0.000 0.989 1394 N HN 0.333 nan 8.380 nan 0.000 0.468 1395 T N 0.692 115.248 114.554 0.002 0.000 2.817 1395 T HA 0.491 4.691 4.350 -0.249 0.000 0.293 1395 T C 0.315 175.019 174.700 0.006 0.000 0.964 1395 T CA -0.602 61.501 62.100 0.005 0.000 1.085 1395 T CB 1.575 70.450 68.868 0.012 0.000 0.921 1395 T HN 0.121 nan 8.240 nan 0.000 0.502 1396 A N 3.887 126.707 122.820 -0.001 0.000 2.331 1396 A HA 0.613 4.783 4.320 -0.249 0.000 0.283 1396 A C 0.172 177.754 177.584 -0.003 0.000 1.142 1396 A CA -0.625 51.410 52.037 -0.004 0.000 0.812 1396 A CB 0.116 19.112 19.000 -0.006 0.000 1.074 1396 A HN 0.870 nan 8.150 nan 0.000 0.497 1397 L N 2.603 123.822 121.223 -0.008 0.000 2.436 1397 L HA 0.293 4.484 4.340 -0.249 0.000 0.265 1397 L C -1.880 174.982 176.870 -0.013 0.000 1.168 1397 L CA -1.772 53.061 54.840 -0.013 0.000 0.815 1397 L CB 0.767 42.810 42.059 -0.027 0.000 1.109 1397 L HN 0.475 nan 8.230 nan 0.000 0.462 1398 P HA 0.087 nan 4.420 nan 0.000 0.266 1398 P C -0.572 176.732 177.300 0.005 0.000 1.215 1398 P CA 0.173 63.269 63.100 -0.006 0.000 0.763 1398 P CB 0.123 31.816 31.700 -0.011 0.000 0.806 1399 I N 2.921 123.501 120.570 0.016 0.000 2.329 1399 I HA 0.079 4.099 4.170 -0.249 0.000 0.295 1399 I C 1.153 177.308 176.117 0.062 0.000 1.109 1399 I CA -0.317 61.001 61.300 0.030 0.000 1.297 1399 I CB -0.111 37.912 38.000 0.039 0.000 1.433 1399 I HN 0.419 nan 8.210 nan 0.000 0.509 1400 E N 6.470 126.700 120.200 0.051 0.000 2.376 1400 E HA 0.031 4.232 4.350 -0.249 0.000 0.266 1400 E C -1.282 175.383 176.600 0.108 0.000 1.009 1400 E CA -0.037 56.409 56.400 0.076 0.000 0.902 1400 E CB 0.757 30.484 29.700 0.044 0.000 0.972 1400 E HN 0.453 nan 8.360 nan 0.000 0.439 1401 Y N 0.000 120.298 120.300 -0.003 0.000 2.660 1401 Y HA 0.000 4.401 4.550 -0.249 0.000 0.201 1401 Y CA 0.000 58.096 58.100 -0.007 0.000 1.940 1401 Y CB 0.000 38.457 38.460 -0.005 0.000 1.050 1401 Y HN 0.000 nan 8.280 nan 0.000 0.758