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 2jcl_1_A DATA FIRST_RESID 1082 DATA SEQUENCE KLKLSDWFNP FKRPEVVTMT KWKAPVVWEG TYNRAVLDNY YAKQKITVGL DATA SEQUENCE TVFAVGRYIE HYLEEFLTSA NKHFMVGHPV IFYIMVDDVS RMPLIELGPL DATA SEQUENCE RSFKVFKIKP EKRWQDISMM RMKTIGEHIV AHIQHEVDFL FCMDVDQVFQ DATA SEQUENCE DKFGVETLGE SVAQLQAWWY KADPNDFTYE RRKESAAYIP FGEGDFYYHA DATA SEQUENCE AIFGGTPTQV LNITQECFKG ILKDKKNDIE AQWHDESHLN KYFLLNKPTK DATA SEQUENCE ILSPEYCWDY HIGLPADIKL VKMSWQT 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 1082 K HA 0.000 nan 4.320 nan 0.000 0.191 1082 K C 0.000 176.617 176.600 0.029 0.000 0.988 1082 K CA 0.000 56.332 56.287 0.075 0.000 0.838 1082 K CB 0.000 32.536 32.500 0.061 0.000 1.064 1083 L N 1.637 122.836 121.223 -0.040 0.000 2.811 1083 L HA 0.399 4.734 4.340 -0.009 0.000 0.251 1083 L C -1.751 175.090 176.870 -0.048 0.000 0.971 1083 L CA -0.211 54.526 54.840 -0.173 0.000 0.990 1083 L CB 1.053 42.726 42.059 -0.643 0.000 1.320 1083 L HN 0.432 nan 8.230 nan 0.000 0.473 1084 K N 2.271 122.671 120.400 0.001 0.000 2.336 1084 K HA 0.106 4.420 4.320 -0.009 0.000 0.262 1084 K C 0.882 177.520 176.600 0.063 0.000 0.992 1084 K CA -0.229 56.079 56.287 0.034 0.000 0.927 1084 K CB 0.688 33.199 32.500 0.018 0.000 0.956 1084 K HN 0.551 nan 8.250 nan 0.000 0.495 1085 L N 2.309 123.549 121.223 0.029 0.000 2.017 1085 L HA -0.209 4.126 4.340 -0.009 0.000 0.208 1085 L C 2.299 179.004 176.870 -0.274 0.000 1.073 1085 L CA 2.134 56.912 54.840 -0.102 0.000 0.745 1085 L CB -0.899 41.121 42.059 -0.064 0.000 0.894 1085 L HN 0.881 nan 8.230 nan 0.000 0.432 1086 S N -1.288 114.347 115.700 -0.109 0.000 2.441 1086 S HA -0.230 4.234 4.470 -0.009 0.000 0.242 1086 S C 1.580 176.132 174.600 -0.079 0.000 1.018 1086 S CA 1.544 59.693 58.200 -0.084 0.000 0.988 1086 S CB -0.813 62.373 63.200 -0.023 0.000 0.778 1086 S HN 0.576 nan 8.310 nan 0.000 0.498 1087 D N 0.283 120.660 120.400 -0.039 0.000 2.317 1087 D HA 0.041 4.676 4.640 -0.009 0.000 0.211 1087 D C 1.499 177.890 176.300 0.151 0.000 0.966 1087 D CA 1.114 55.144 54.000 0.050 0.000 0.876 1087 D CB -0.117 40.722 40.800 0.067 0.000 0.927 1087 D HN 0.909 nan 8.370 nan 0.000 0.519 1088 W N -1.676 119.658 121.300 0.056 0.000 2.120 1088 W HA 0.265 4.919 4.660 -0.009 0.000 0.227 1088 W C -0.593 176.054 176.519 0.214 0.000 0.910 1088 W CA -0.448 56.959 57.345 0.102 0.000 1.111 1088 W CB -0.018 29.484 29.460 0.071 0.000 0.887 1088 W HN -0.265 nan 8.180 nan 0.000 0.598 1089 F N 4.687 124.074 119.950 -0.939 0.000 2.388 1089 F HA 0.474 4.996 4.527 -0.008 0.000 0.358 1089 F C -0.503 175.067 175.800 -0.383 0.000 1.122 1089 F CA -1.421 56.049 58.000 -0.883 0.000 1.056 1089 F CB 0.827 38.920 39.000 -1.512 0.000 1.155 1089 F HN -0.237 nan 8.300 nan 0.000 0.461 1090 N N 8.265 126.562 118.700 -0.673 0.000 2.706 1090 N HA 0.358 5.092 4.740 -0.009 0.000 0.240 1090 N C -2.182 172.862 175.510 -0.778 0.000 1.039 1090 N CA -2.575 50.161 53.050 -0.523 0.000 0.888 1090 N CB 1.399 39.758 38.487 -0.213 0.000 1.128 1090 N HN 0.251 nan 8.380 nan 0.000 0.512 1091 P HA -0.025 nan 4.420 nan 0.000 0.234 1091 P C 0.622 177.463 177.300 -0.764 0.000 1.167 1091 P CA 0.684 63.179 63.100 -1.008 0.000 0.763 1091 P CB -0.036 31.120 31.700 -0.906 0.000 0.835 1092 F N 0.217 119.993 119.950 -0.290 0.000 2.789 1092 F HA 0.135 4.657 4.527 -0.008 0.000 0.300 1092 F C 2.146 177.840 175.800 -0.177 0.000 1.132 1092 F CA 0.434 58.319 58.000 -0.192 0.000 1.404 1092 F CB -0.219 38.689 39.000 -0.152 0.000 1.114 1092 F HN -0.224 nan 8.300 nan 0.000 0.584 1093 K N 0.392 120.727 120.400 -0.110 0.000 2.486 1093 K HA 0.086 4.401 4.320 -0.009 0.000 0.194 1093 K C 0.235 176.749 176.600 -0.144 0.000 1.033 1093 K CA 0.564 56.782 56.287 -0.116 0.000 1.004 1093 K CB 0.148 32.563 32.500 -0.142 0.000 0.798 1093 K HN 0.099 nan 8.250 nan 0.000 0.495 1094 R N 0.560 120.937 120.500 -0.205 0.000 2.639 1094 R HA 0.161 4.496 4.340 -0.009 0.000 0.273 1094 R C -2.185 173.956 176.300 -0.265 0.000 1.732 1094 R CA -1.376 54.583 56.100 -0.234 0.000 1.586 1094 R CB 0.953 31.089 30.300 -0.273 0.000 1.263 1094 R HN -0.057 nan 8.270 nan 0.000 0.615 1095 P HA -0.177 nan 4.420 nan 0.000 0.215 1095 P C 0.851 178.052 177.300 -0.164 0.000 1.157 1095 P CA 1.131 64.147 63.100 -0.140 0.000 0.859 1095 P CB 0.322 31.988 31.700 -0.057 0.000 0.786 1096 E N 0.328 120.426 120.200 -0.170 0.000 2.271 1096 E HA -0.172 4.173 4.350 -0.009 0.000 0.209 1096 E C 0.925 177.386 176.600 -0.231 0.000 1.046 1096 E CA 1.219 57.513 56.400 -0.177 0.000 0.840 1096 E CB -1.093 28.497 29.700 -0.183 0.000 0.738 1096 E HN 0.237 nan 8.360 nan 0.000 0.470 1097 V N -2.439 117.252 119.914 -0.372 0.000 3.141 1097 V HA 0.434 4.548 4.120 -0.009 0.000 0.312 1097 V C 0.134 176.064 176.094 -0.272 0.000 1.157 1097 V CA -1.224 60.825 62.300 -0.419 0.000 1.041 1097 V CB 1.831 33.062 31.823 -0.987 0.000 1.071 1097 V HN 0.026 nan 8.190 nan 0.000 0.441 1098 V N 0.709 120.611 119.914 -0.019 0.000 2.400 1098 V HA 0.248 4.363 4.120 -0.009 0.000 0.263 1098 V C 1.351 177.564 176.094 0.199 0.000 1.026 1098 V CA 0.833 63.224 62.300 0.151 0.000 1.077 1098 V CB -0.901 31.137 31.823 0.358 0.000 1.054 1098 V HN 1.153 nan 8.190 nan 0.000 0.477 1099 T N 1.065 115.668 114.554 0.081 0.000 3.015 1099 T HA 0.363 4.707 4.350 -0.009 0.000 0.250 1099 T C 0.582 175.405 174.700 0.205 0.000 1.057 1099 T CA 0.009 62.223 62.100 0.190 0.000 1.066 1099 T CB 0.371 69.224 68.868 -0.025 0.000 0.959 1099 T HN 0.409 nan 8.240 nan 0.000 0.488 1100 M N 3.327 122.968 119.600 0.068 0.000 2.326 1100 M HA 0.396 4.871 4.480 -0.009 0.000 0.306 1100 M C -0.248 176.027 176.300 -0.042 0.000 1.054 1100 M CA -0.554 54.745 55.300 -0.001 0.000 0.922 1100 M CB 1.992 34.586 32.600 -0.011 0.000 1.632 1100 M HN 0.292 nan 8.290 nan 0.000 0.436 1101 T N 0.031 114.449 114.554 -0.227 0.000 2.828 1101 T HA 0.300 4.645 4.350 -0.009 0.000 0.290 1101 T C 1.127 175.715 174.700 -0.186 0.000 1.019 1101 T CA -0.735 61.163 62.100 -0.337 0.000 1.031 1101 T CB 0.702 68.764 68.868 -1.343 0.000 1.001 1101 T HN 0.638 nan 8.240 nan 0.000 0.531 1102 K N -0.031 120.390 120.400 0.036 0.000 2.640 1102 K HA -0.066 4.249 4.320 -0.009 0.000 0.193 1102 K C 0.303 177.123 176.600 0.366 0.000 1.036 1102 K CA 0.406 56.824 56.287 0.217 0.000 0.962 1102 K CB -1.060 31.601 32.500 0.268 0.000 0.791 1102 K HN 0.978 nan 8.250 nan 0.000 0.491 1103 W N 0.307 121.685 121.300 0.131 0.000 1.408 1103 W HA 0.425 5.080 4.660 -0.008 0.000 0.292 1103 W C -0.835 175.746 176.519 0.103 0.000 0.873 1103 W CA -1.280 56.132 57.345 0.110 0.000 2.325 1103 W CB -0.203 29.325 29.460 0.113 0.000 1.280 1103 W HN -0.048 nan 8.180 nan 0.000 0.508 1104 K N 0.373 120.784 120.400 0.019 0.000 3.035 1104 K HA -0.141 4.174 4.320 -0.009 0.000 0.262 1104 K C 0.100 176.657 176.600 -0.071 0.000 1.024 1104 K CA 1.207 57.494 56.287 0.000 0.000 0.748 1104 K CB -1.944 30.604 32.500 0.081 0.000 1.247 1104 K HN 0.457 nan 8.250 nan 0.000 0.482 1105 A N 0.727 123.380 122.820 -0.278 0.000 2.331 1105 A HA 0.621 4.936 4.320 -0.009 0.000 0.320 1105 A C -2.372 175.037 177.584 -0.293 0.000 1.138 1105 A CA -1.810 50.075 52.037 -0.254 0.000 0.790 1105 A CB 0.961 19.788 19.000 -0.288 0.000 1.206 1105 A HN -0.013 nan 8.150 nan 0.000 0.470 1106 P HA 0.217 nan 4.420 nan 0.000 0.269 1106 P C -0.634 176.451 177.300 -0.359 0.000 1.209 1106 P CA 0.100 62.863 63.100 -0.561 0.000 0.776 1106 P CB 1.027 32.093 31.700 -1.057 0.000 0.876 1107 V N 4.138 123.953 119.914 -0.165 0.000 2.350 1107 V HA 0.111 4.226 4.120 -0.009 0.000 0.285 1107 V C 0.385 176.573 176.094 0.157 0.000 1.014 1107 V CA -0.785 61.488 62.300 -0.046 0.000 0.831 1107 V CB 1.791 33.656 31.823 0.069 0.000 1.000 1107 V HN 0.258 nan 8.190 nan 0.000 0.433 1108 V N 5.248 125.149 119.914 -0.022 0.000 2.427 1108 V HA 0.282 4.397 4.120 -0.009 0.000 0.268 1108 V C -0.312 175.917 176.094 0.224 0.000 1.046 1108 V CA -0.153 62.277 62.300 0.217 0.000 0.970 1108 V CB 0.245 32.068 31.823 -0.000 0.000 1.001 1108 V HN 0.835 nan 8.190 nan 0.000 0.476 1109 W N 1.847 123.381 121.300 0.390 0.000 2.804 1109 W HA 0.582 5.237 4.660 -0.009 0.000 0.352 1109 W C 0.252 176.952 176.519 0.302 0.000 1.153 1109 W CA -0.902 56.607 57.345 0.274 0.000 1.119 1109 W CB 0.821 30.352 29.460 0.120 0.000 1.448 1109 W HN 0.405 nan 8.180 nan 0.000 0.600 1110 E N 0.313 120.765 120.200 0.420 0.000 2.384 1110 E HA 0.369 4.714 4.350 -0.009 0.000 0.266 1110 E C 1.025 177.651 176.600 0.044 0.000 1.012 1110 E CA 1.677 58.203 56.400 0.210 0.000 0.901 1110 E CB 0.534 30.286 29.700 0.086 0.000 0.967 1110 E HN 0.634 nan 8.360 nan 0.000 0.435 1111 G N 3.019 111.690 108.800 -0.215 0.000 2.284 1111 G HA2 -0.371 3.584 3.960 -0.009 0.000 0.247 1111 G HA3 -0.371 3.584 3.960 -0.009 0.000 0.247 1111 G C 1.095 175.863 174.900 -0.220 0.000 1.012 1111 G CA 0.927 45.888 45.100 -0.232 0.000 0.618 1111 G HN 0.749 nan 8.290 nan 0.000 0.521 1112 T N -1.236 113.262 114.554 -0.093 0.000 3.023 1112 T HA 0.324 4.669 4.350 -0.009 0.000 0.266 1112 T C 1.018 175.750 174.700 0.053 0.000 1.093 1112 T CA 1.355 63.387 62.100 -0.114 0.000 1.129 1112 T CB -0.207 68.628 68.868 -0.056 0.000 0.899 1112 T HN 1.299 nan 8.240 nan 0.000 0.491 1113 Y N 0.417 120.889 120.300 0.287 0.000 2.387 1113 Y HA 0.724 5.268 4.550 -0.009 0.000 0.336 1113 Y C -0.307 175.781 175.900 0.314 0.000 1.067 1113 Y CA -2.623 55.764 58.100 0.478 0.000 1.114 1113 Y CB 0.642 39.431 38.460 0.549 0.000 1.208 1113 Y HN -0.204 nan 8.280 nan 0.000 0.458 1114 N N 3.727 122.746 118.700 0.531 0.000 2.918 1114 N HA 0.130 4.865 4.740 -0.009 0.000 0.247 1114 N C 0.855 176.596 175.510 0.385 0.000 1.117 1114 N CA -0.247 53.013 53.050 0.351 0.000 1.005 1114 N CB 0.186 38.825 38.487 0.253 0.000 1.297 1114 N HN 0.948 nan 8.380 nan 0.000 0.513 1115 R N 2.174 122.951 120.500 0.462 0.000 2.152 1115 R HA -0.064 4.270 4.340 -0.009 0.000 0.232 1115 R C 1.396 177.815 176.300 0.198 0.000 1.117 1115 R CA 1.420 57.702 56.100 0.304 0.000 0.981 1115 R CB 0.110 30.596 30.300 0.310 0.000 0.870 1115 R HN 0.496 nan 8.270 nan 0.000 0.451 1116 A N 0.145 123.077 122.820 0.185 0.000 1.898 1116 A HA -0.076 4.239 4.320 -0.009 0.000 0.216 1116 A C 2.191 179.851 177.584 0.126 0.000 1.181 1116 A CA 1.234 53.351 52.037 0.134 0.000 0.620 1116 A CB -0.440 18.624 19.000 0.107 0.000 0.819 1116 A HN 0.209 nan 8.150 nan 0.000 0.442 1117 V N 0.215 120.212 119.914 0.138 0.000 2.261 1117 V HA -0.247 3.868 4.120 -0.009 0.000 0.246 1117 V C 2.599 178.754 176.094 0.102 0.000 1.047 1117 V CA 1.980 64.353 62.300 0.120 0.000 1.015 1117 V CB -0.642 31.266 31.823 0.141 0.000 0.642 1117 V HN 0.580 nan 8.190 nan 0.000 0.446 1118 L N -0.449 120.822 121.223 0.081 0.000 2.012 1118 L HA -0.218 4.116 4.340 -0.009 0.000 0.210 1118 L C 2.449 179.401 176.870 0.137 0.000 1.073 1118 L CA 1.854 56.690 54.840 -0.005 0.000 0.748 1118 L CB -0.872 41.147 42.059 -0.066 0.000 0.891 1118 L HN 0.356 nan 8.230 nan 0.000 0.431 1119 D N -0.018 120.499 120.400 0.195 0.000 2.106 1119 D HA -0.234 4.401 4.640 -0.009 0.000 0.191 1119 D C 1.830 178.278 176.300 0.246 0.000 0.997 1119 D CA 1.786 55.969 54.000 0.305 0.000 0.834 1119 D CB -0.367 40.566 40.800 0.222 0.000 0.956 1119 D HN 0.315 nan 8.370 nan 0.000 0.448 1120 N N -0.440 118.350 118.700 0.151 0.000 2.036 1120 N HA -0.268 4.467 4.740 -0.009 0.000 0.195 1120 N C 1.970 177.548 175.510 0.113 0.000 1.037 1120 N CA 1.478 54.595 53.050 0.112 0.000 0.855 1120 N CB -0.499 38.043 38.487 0.093 0.000 1.033 1120 N HN 0.229 nan 8.380 nan 0.000 0.423 1121 Y N -0.260 120.018 120.300 -0.037 0.000 2.128 1121 Y HA -0.227 4.318 4.550 -0.009 0.000 0.284 1121 Y C 1.713 177.546 175.900 -0.112 0.000 1.154 1121 Y CA 1.842 59.863 58.100 -0.131 0.000 1.149 1121 Y CB -0.762 37.523 38.460 -0.292 0.000 0.976 1121 Y HN 0.258 nan 8.280 nan 0.000 0.505 1122 Y N -0.428 119.774 120.300 -0.162 0.000 2.263 1122 Y HA -0.123 4.422 4.550 -0.009 0.000 0.292 1122 Y C 2.679 178.523 175.900 -0.094 0.000 1.130 1122 Y CA 0.646 58.587 58.100 -0.265 0.000 1.179 1122 Y CB -0.530 37.783 38.460 -0.244 0.000 0.998 1122 Y HN 0.257 nan 8.280 nan 0.000 0.532 1123 A N 0.465 123.427 122.820 0.237 0.000 1.933 1123 A HA -0.219 4.095 4.320 -0.009 0.000 0.218 1123 A C 2.107 179.722 177.584 0.051 0.000 1.175 1123 A CA 1.699 53.849 52.037 0.188 0.000 0.628 1123 A CB -0.480 18.589 19.000 0.114 0.000 0.814 1123 A HN 0.369 nan 8.150 nan 0.000 0.444 1124 K N -0.583 119.810 120.400 -0.012 0.000 2.063 1124 K HA -0.189 4.126 4.320 -0.009 0.000 0.208 1124 K C 2.138 178.698 176.600 -0.067 0.000 1.048 1124 K CA 1.746 58.006 56.287 -0.046 0.000 0.928 1124 K CB -0.198 32.265 32.500 -0.063 0.000 0.713 1124 K HN 0.609 nan 8.250 nan 0.000 0.442 1125 Q N 0.398 120.121 119.800 -0.129 0.000 2.436 1125 Q HA -0.055 4.279 4.340 -0.009 0.000 0.209 1125 Q C -0.042 175.955 176.000 -0.005 0.000 0.965 1125 Q CA 0.384 56.136 55.803 -0.085 0.000 0.910 1125 Q CB 0.127 28.788 28.738 -0.128 0.000 0.980 1125 Q HN 0.146 nan 8.270 nan 0.000 0.491 1126 K N 1.083 121.498 120.400 0.024 0.000 3.125 1126 K HA -0.151 4.164 4.320 -0.009 0.000 0.268 1126 K C -0.297 176.335 176.600 0.053 0.000 1.078 1126 K CA -0.007 56.305 56.287 0.042 0.000 0.775 1126 K CB -1.113 31.397 32.500 0.018 0.000 1.253 1126 K HN 0.358 nan 8.250 nan 0.000 0.486 1127 I N -0.773 119.841 120.570 0.074 0.000 2.581 1127 I HA 0.287 4.452 4.170 -0.009 0.000 0.288 1127 I C -0.168 175.981 176.117 0.054 0.000 1.047 1127 I CA 0.452 61.788 61.300 0.060 0.000 1.374 1127 I CB 1.393 39.439 38.000 0.076 0.000 1.423 1127 I HN 0.052 nan 8.210 nan 0.000 0.549 1128 T N 6.559 121.141 114.554 0.048 0.000 2.770 1128 T HA 0.523 4.867 4.350 -0.009 0.000 0.283 1128 T C 0.023 174.765 174.700 0.070 0.000 0.988 1128 T CA -0.358 61.767 62.100 0.042 0.000 0.957 1128 T CB 1.427 70.314 68.868 0.031 0.000 0.930 1128 T HN 0.484 nan 8.240 nan 0.000 0.443 1129 V N 2.660 122.612 119.914 0.063 0.000 2.617 1129 V HA 0.855 4.969 4.120 -0.009 0.000 0.298 1129 V C 0.778 176.988 176.094 0.193 0.000 1.048 1129 V CA -0.497 61.900 62.300 0.162 0.000 0.964 1129 V CB 1.785 33.679 31.823 0.118 0.000 1.004 1129 V HN 1.014 nan 8.190 nan 0.000 0.466 1130 G N 2.239 111.213 108.800 0.289 0.000 2.605 1130 G HA2 0.777 4.732 3.960 -0.009 0.000 0.296 1130 G HA3 0.777 4.732 3.960 -0.009 0.000 0.296 1130 G C -1.789 173.310 174.900 0.331 0.000 1.304 1130 G CA -0.662 44.615 45.100 0.296 0.000 0.941 1130 G HN 0.823 nan 8.290 nan 0.000 0.475 1131 L N 0.483 121.867 121.223 0.269 0.000 2.526 1131 L HA 0.721 5.055 4.340 -0.009 0.000 0.263 1131 L C -0.518 176.502 176.870 0.250 0.000 0.943 1131 L CA -0.590 54.329 54.840 0.131 0.000 0.859 1131 L CB 2.521 44.396 42.059 -0.308 0.000 1.313 1131 L HN 0.722 nan 8.230 nan 0.000 0.406 1132 T N 1.945 116.586 114.554 0.146 0.000 2.788 1132 T HA 0.591 4.935 4.350 -0.009 0.000 0.296 1132 T C -0.693 173.981 174.700 -0.044 0.000 1.009 1132 T CA -0.661 61.477 62.100 0.064 0.000 0.949 1132 T CB 1.379 70.240 68.868 -0.012 0.000 0.946 1132 T HN 0.469 nan 8.240 nan 0.000 0.453 1133 V N 4.947 124.785 119.914 -0.126 0.000 2.555 1133 V HA 0.759 4.874 4.120 -0.009 0.000 0.302 1133 V C -1.560 174.352 176.094 -0.303 0.000 1.038 1133 V CA -1.129 61.028 62.300 -0.239 0.000 0.887 1133 V CB 1.158 32.726 31.823 -0.424 0.000 0.991 1133 V HN 0.878 nan 8.190 nan 0.000 0.434 1134 F N 4.641 124.503 119.950 -0.146 0.000 2.480 1134 F HA 0.870 5.393 4.527 -0.007 0.000 0.329 1134 F C 0.416 176.142 175.800 -0.124 0.000 1.091 1134 F CA -0.169 57.782 58.000 -0.082 0.000 0.972 1134 F CB 2.223 41.185 39.000 -0.063 0.000 1.150 1134 F HN 0.692 nan 8.300 nan 0.000 0.467 1135 A N 2.373 125.269 122.820 0.127 0.000 2.437 1135 A HA 0.763 5.078 4.320 -0.009 0.000 0.293 1135 A C -1.853 175.820 177.584 0.148 0.000 1.038 1135 A CA -0.618 51.482 52.037 0.105 0.000 0.708 1135 A CB 1.182 20.238 19.000 0.094 0.000 1.251 1135 A HN 0.497 nan 8.150 nan 0.000 0.409 1136 V N 2.306 122.326 119.914 0.177 0.000 2.680 1136 V HA 0.752 4.867 4.120 -0.009 0.000 0.309 1136 V C 1.274 177.488 176.094 0.200 0.000 1.052 1136 V CA 0.704 63.106 62.300 0.170 0.000 0.908 1136 V CB 1.074 32.982 31.823 0.142 0.000 1.001 1136 V HN 2.281 nan 8.190 nan 0.000 0.431 1137 G N 5.209 114.088 108.800 0.131 0.000 2.672 1137 G HA2 -0.373 3.582 3.960 -0.009 0.000 0.324 1137 G HA3 -0.373 3.582 3.960 -0.009 0.000 0.324 1137 G C 1.140 176.092 174.900 0.086 0.000 1.286 1137 G CA 1.197 46.355 45.100 0.096 0.000 1.004 1137 G HN 1.081 nan 8.290 nan 0.000 0.548 1138 R N -0.959 119.560 120.500 0.033 0.000 2.154 1138 R HA -0.146 4.188 4.340 -0.009 0.000 0.248 1138 R C 2.294 178.563 176.300 -0.051 0.000 1.155 1138 R CA 2.439 58.517 56.100 -0.038 0.000 0.979 1138 R CB -0.698 29.520 30.300 -0.138 0.000 0.869 1138 R HN 0.585 nan 8.270 nan 0.000 0.452 1139 Y N 1.463 121.773 120.300 0.018 0.000 2.333 1139 Y HA -0.092 4.452 4.550 -0.009 0.000 0.290 1139 Y C 2.247 178.186 175.900 0.065 0.000 1.144 1139 Y CA 1.116 59.243 58.100 0.044 0.000 1.228 1139 Y CB -0.133 38.389 38.460 0.103 0.000 0.985 1139 Y HN -0.008 nan 8.280 nan 0.000 0.542 1140 I N -0.190 120.495 120.570 0.191 0.000 2.113 1140 I HA -0.297 3.868 4.170 -0.009 0.000 0.238 1140 I C 1.866 178.022 176.117 0.065 0.000 1.070 1140 I CA 1.680 63.047 61.300 0.113 0.000 1.332 1140 I CB -0.316 37.726 38.000 0.070 0.000 1.044 1140 I HN 0.098 nan 8.210 nan 0.000 0.402 1141 E N -0.428 119.787 120.200 0.026 0.000 2.338 1141 E HA -0.173 4.172 4.350 -0.009 0.000 0.197 1141 E C 1.985 178.521 176.600 -0.106 0.000 1.007 1141 E CA 0.743 57.123 56.400 -0.034 0.000 0.849 1141 E CB -0.174 29.497 29.700 -0.048 0.000 0.774 1141 E HN 0.497 nan 8.360 nan 0.000 0.506 1142 H N -1.921 117.032 119.070 -0.195 0.000 2.431 1142 H HA 0.097 4.648 4.556 -0.008 0.000 0.295 1142 H C 0.868 176.007 175.328 -0.315 0.000 1.038 1142 H CA 1.235 57.031 56.048 -0.421 0.000 1.360 1142 H CB 0.469 29.727 29.762 -0.840 0.000 1.433 1142 H HN 0.301 nan 8.280 nan 0.000 0.536 1143 Y N -1.745 118.677 120.300 0.202 0.000 2.731 1143 Y HA -0.044 4.500 4.550 -0.009 0.000 0.269 1143 Y C 2.070 178.052 175.900 0.138 0.000 1.156 1143 Y CA -0.329 57.880 58.100 0.180 0.000 1.191 1143 Y CB 0.220 38.808 38.460 0.212 0.000 1.382 1143 Y HN -0.078 nan 8.280 nan 0.000 0.477 1144 L N 1.838 123.207 121.223 0.244 0.000 2.137 1144 L HA -0.237 4.098 4.340 -0.009 0.000 0.213 1144 L C 2.041 178.989 176.870 0.130 0.000 1.085 1144 L CA 2.100 57.019 54.840 0.131 0.000 0.760 1144 L CB -0.465 41.623 42.059 0.049 0.000 0.893 1144 L HN 0.360 nan 8.230 nan 0.000 0.434 1145 E N -0.570 119.690 120.200 0.100 0.000 2.005 1145 E HA -0.277 4.068 4.350 -0.009 0.000 0.191 1145 E C 2.130 178.785 176.600 0.093 0.000 0.987 1145 E CA 1.167 57.599 56.400 0.052 0.000 0.814 1145 E CB -0.378 29.334 29.700 0.021 0.000 0.772 1145 E HN 0.601 nan 8.360 nan 0.000 0.453 1146 E N -0.487 119.794 120.200 0.135 0.000 2.169 1146 E HA -0.260 4.085 4.350 -0.009 0.000 0.202 1146 E C 1.859 178.561 176.600 0.171 0.000 1.016 1146 E CA 1.575 58.064 56.400 0.149 0.000 0.817 1146 E CB -0.285 29.530 29.700 0.193 0.000 0.736 1146 E HN 0.356 nan 8.360 nan 0.000 0.462 1147 F N 0.659 120.650 119.950 0.068 0.000 2.084 1147 F HA -0.179 4.343 4.527 -0.008 0.000 0.296 1147 F C 1.853 177.649 175.800 -0.008 0.000 1.111 1147 F CA 1.396 59.431 58.000 0.059 0.000 1.224 1147 F CB -0.212 38.803 39.000 0.026 0.000 0.991 1147 F HN -0.041 nan 8.300 nan 0.000 0.471 1148 L N -0.129 121.144 121.223 0.082 0.000 1.943 1148 L HA -0.281 4.054 4.340 -0.009 0.000 0.215 1148 L C 2.388 179.069 176.870 -0.315 0.000 1.074 1148 L CA 2.039 56.707 54.840 -0.286 0.000 0.759 1148 L CB -1.564 40.329 42.059 -0.276 0.000 0.888 1148 L HN 0.163 nan 8.230 nan 0.000 0.433 1149 T N -0.068 114.394 114.554 -0.153 0.000 2.616 1149 T HA -0.342 4.003 4.350 -0.009 0.000 0.261 1149 T C 1.991 176.630 174.700 -0.100 0.000 1.105 1149 T CA 2.476 64.516 62.100 -0.100 0.000 1.159 1149 T CB -0.826 68.028 68.868 -0.024 0.000 0.856 1149 T HN 0.613 nan 8.240 nan 0.000 0.449 1150 S N 2.167 117.847 115.700 -0.034 0.000 2.368 1150 S HA 0.074 4.539 4.470 -0.009 0.000 0.224 1150 S C 2.436 177.008 174.600 -0.047 0.000 1.029 1150 S CA 1.018 59.284 58.200 0.111 0.000 0.988 1150 S CB -0.756 62.593 63.200 0.248 0.000 0.838 1150 S HN 0.640 nan 8.310 nan 0.000 0.462 1151 A N 3.098 125.687 122.820 -0.385 0.000 1.877 1151 A HA -0.156 4.159 4.320 -0.009 0.000 0.216 1151 A C 2.125 179.528 177.584 -0.302 0.000 1.186 1151 A CA 1.984 53.514 52.037 -0.844 0.000 0.620 1151 A CB -1.480 16.988 19.000 -0.886 0.000 0.822 1151 A HN 0.651 nan 8.150 nan 0.000 0.443 1152 N N 0.017 118.573 118.700 -0.240 0.000 2.137 1152 N HA -0.239 4.495 4.740 -0.009 0.000 0.190 1152 N C 1.627 177.096 175.510 -0.067 0.000 1.017 1152 N CA 2.302 55.338 53.050 -0.023 0.000 0.859 1152 N CB -0.304 38.128 38.487 -0.092 0.000 1.002 1152 N HN 0.589 nan 8.380 nan 0.000 0.428 1153 K N -1.807 118.475 120.400 -0.196 0.000 2.167 1153 K HA -0.060 4.255 4.320 -0.009 0.000 0.203 1153 K C 1.106 177.423 176.600 -0.472 0.000 1.052 1153 K CA 1.094 57.162 56.287 -0.365 0.000 0.956 1153 K CB 0.037 32.230 32.500 -0.512 0.000 0.735 1153 K HN 0.373 nan 8.250 nan 0.000 0.451 1154 H N -1.974 117.038 119.070 -0.097 0.000 3.091 1154 H HA 0.067 4.618 4.556 -0.009 0.000 0.249 1154 H C -0.541 174.717 175.328 -0.117 0.000 0.985 1154 H CA -0.328 55.682 56.048 -0.063 0.000 1.177 1154 H CB 0.121 29.911 29.762 0.048 0.000 1.456 1154 H HN 0.050 nan 8.280 nan 0.000 0.467 1155 F N 4.090 123.796 119.950 -0.406 0.000 2.502 1155 F HA 0.135 4.657 4.527 -0.008 0.000 0.371 1155 F C 0.817 176.531 175.800 -0.143 0.000 1.083 1155 F CA -0.498 57.252 58.000 -0.418 0.000 1.174 1155 F CB 0.324 38.902 39.000 -0.704 0.000 1.096 1155 F HN 0.024 nan 8.300 nan 0.000 0.545 1156 M N 5.604 124.817 119.600 -0.645 0.000 2.175 1156 M HA -0.189 4.285 4.480 -0.009 0.000 0.192 1156 M C -0.455 175.786 176.300 -0.098 0.000 0.473 1156 M CA 0.303 55.342 55.300 -0.435 0.000 0.414 1156 M CB -2.921 29.276 32.600 -0.670 0.000 1.069 1156 M HN 0.187 nan 8.290 nan 0.000 0.933 1157 V N 0.231 120.118 119.914 -0.046 0.000 2.720 1157 V HA 0.309 4.424 4.120 -0.009 0.000 0.307 1157 V C 1.766 177.833 176.094 -0.045 0.000 1.071 1157 V CA 1.319 63.603 62.300 -0.026 0.000 1.199 1157 V CB 0.616 32.433 31.823 -0.011 0.000 0.900 1157 V HN 1.060 nan 8.190 nan 0.000 0.494 1158 G N 3.060 111.790 108.800 -0.118 0.000 2.147 1158 G HA2 -0.201 3.754 3.960 -0.009 0.000 0.244 1158 G HA3 -0.201 3.754 3.960 -0.009 0.000 0.244 1158 G C -0.030 174.514 174.900 -0.593 0.000 1.005 1158 G CA 0.224 45.158 45.100 -0.276 0.000 0.713 1158 G HN 0.904 nan 8.290 nan 0.000 0.515 1159 H N -1.032 117.990 119.070 -0.080 0.000 2.895 1159 H HA 0.362 4.913 4.556 -0.009 0.000 0.373 1159 H C -2.740 172.536 175.328 -0.087 0.000 1.174 1159 H CA -1.881 54.120 56.048 -0.079 0.000 1.144 1159 H CB 2.090 31.792 29.762 -0.100 0.000 1.793 1159 H HN 0.008 nan 8.280 nan 0.000 0.551 1160 P HA 0.032 nan 4.420 nan 0.000 0.267 1160 P C -0.535 176.743 177.300 -0.036 0.000 1.205 1160 P CA 0.100 63.190 63.100 -0.017 0.000 0.765 1160 P CB 0.674 32.366 31.700 -0.013 0.000 0.828 1161 V N 5.556 125.399 119.914 -0.118 0.000 2.735 1161 V HA 0.460 4.574 4.120 -0.009 0.000 0.310 1161 V C -0.046 175.820 176.094 -0.380 0.000 1.061 1161 V CA -0.562 61.614 62.300 -0.207 0.000 0.913 1161 V CB 2.150 33.833 31.823 -0.233 0.000 1.005 1161 V HN 0.363 nan 8.190 nan 0.000 0.428 1162 I N 4.225 124.531 120.570 -0.441 0.000 2.448 1162 I HA 0.392 4.556 4.170 -0.009 0.000 0.281 1162 I C -1.004 174.661 176.117 -0.753 0.000 1.027 1162 I CA -0.209 60.751 61.300 -0.567 0.000 1.111 1162 I CB 1.426 39.126 38.000 -0.500 0.000 1.236 1162 I HN 0.450 nan 8.210 nan 0.000 0.452 1163 F N 5.783 125.561 119.950 -0.288 0.000 2.466 1163 F HA 0.182 4.703 4.527 -0.009 0.000 0.363 1163 F C -0.016 175.593 175.800 -0.318 0.000 1.109 1163 F CA -0.179 57.693 58.000 -0.213 0.000 1.161 1163 F CB 0.054 39.022 39.000 -0.055 0.000 1.117 1163 F HN 0.328 nan 8.300 nan 0.000 0.539 1164 Y N 4.748 125.130 120.300 0.137 0.000 2.535 1164 Y HA 0.406 4.951 4.550 -0.008 0.000 0.349 1164 Y C 0.077 175.962 175.900 -0.025 0.000 0.992 1164 Y CA -0.524 57.604 58.100 0.048 0.000 1.248 1164 Y CB 0.194 38.663 38.460 0.014 0.000 1.124 1164 Y HN 0.374 nan 8.280 nan 0.000 0.520 1165 I N 4.726 125.331 120.570 0.059 0.000 2.330 1165 I HA 0.277 4.442 4.170 -0.009 0.000 0.289 1165 I C -0.525 175.555 176.117 -0.063 0.000 1.001 1165 I CA -0.490 60.775 61.300 -0.060 0.000 1.193 1165 I CB 0.911 38.844 38.000 -0.111 0.000 1.345 1165 I HN 0.470 nan 8.210 nan 0.000 0.461 1166 M N 8.089 127.565 119.600 -0.208 0.000 2.101 1166 M HA 0.451 4.926 4.480 -0.009 0.000 0.340 1166 M C -0.507 175.807 176.300 0.022 0.000 1.057 1166 M CA -0.475 54.747 55.300 -0.130 0.000 0.984 1166 M CB 1.376 33.586 32.600 -0.651 0.000 1.560 1166 M HN 0.414 nan 8.290 nan 0.000 0.435 1167 V N 0.491 120.463 119.914 0.097 0.000 3.102 1167 V HA 0.678 4.793 4.120 -0.009 0.000 0.312 1167 V C 0.241 176.411 176.094 0.126 0.000 1.135 1167 V CA -0.683 61.679 62.300 0.104 0.000 1.022 1167 V CB 2.086 33.937 31.823 0.046 0.000 1.056 1167 V HN 0.858 nan 8.190 nan 0.000 0.436 1168 D N 0.217 120.686 120.400 0.115 0.000 2.271 1168 D HA 0.017 4.652 4.640 -0.009 0.000 0.206 1168 D C 0.110 176.457 176.300 0.077 0.000 0.967 1168 D CA 0.964 55.025 54.000 0.103 0.000 0.867 1168 D CB 0.709 41.568 40.800 0.098 0.000 0.960 1168 D HN 0.795 nan 8.370 nan 0.000 0.509 1169 D N 0.232 120.670 120.400 0.062 0.000 2.386 1169 D HA 0.080 4.714 4.640 -0.009 0.000 0.247 1169 D C 1.190 177.507 176.300 0.028 0.000 1.336 1169 D CA -0.540 53.486 54.000 0.044 0.000 0.976 1169 D CB 1.972 42.794 40.800 0.037 0.000 1.257 1169 D HN -0.149 nan 8.370 nan 0.000 0.570 1170 V N 2.289 122.217 119.914 0.024 0.000 2.594 1170 V HA -0.116 3.999 4.120 -0.009 0.000 0.253 1170 V C 1.962 178.050 176.094 -0.011 0.000 1.069 1170 V CA 2.176 64.476 62.300 0.001 0.000 1.082 1170 V CB -0.397 31.427 31.823 0.002 0.000 0.680 1170 V HN 0.552 nan 8.190 nan 0.000 0.469 1171 S N 1.082 116.782 115.700 0.000 0.000 2.365 1171 S HA -0.323 4.142 4.470 -0.009 0.000 0.225 1171 S C 2.152 176.744 174.600 -0.013 0.000 1.039 1171 S CA 2.300 60.497 58.200 -0.005 0.000 1.033 1171 S CB -0.520 62.681 63.200 0.002 0.000 0.887 1171 S HN 0.651 nan 8.310 nan 0.000 0.447 1172 R N 0.345 120.840 120.500 -0.008 0.000 2.189 1172 R HA 0.248 4.583 4.340 -0.009 0.000 0.218 1172 R C 0.942 177.226 176.300 -0.027 0.000 1.074 1172 R CA 0.617 56.710 56.100 -0.011 0.000 0.991 1172 R CB -0.549 29.753 30.300 0.003 0.000 0.883 1172 R HN 0.594 nan 8.270 nan 0.000 0.457 1173 M N 3.199 122.775 119.600 -0.040 0.000 2.504 1173 M HA 0.026 4.501 4.480 -0.009 0.000 0.378 1173 M C -2.262 173.977 176.300 -0.102 0.000 1.706 1173 M CA -1.649 53.603 55.300 -0.081 0.000 1.036 1173 M CB 0.308 32.846 32.600 -0.102 0.000 2.129 1173 M HN -0.159 nan 8.290 nan 0.000 0.474 1174 P HA 0.167 nan 4.420 nan 0.000 0.287 1174 P C -1.166 176.039 177.300 -0.159 0.000 1.281 1174 P CA -0.258 62.782 63.100 -0.101 0.000 0.781 1174 P CB 0.702 32.358 31.700 -0.074 0.000 0.903 1175 L N 5.042 126.186 121.223 -0.131 0.000 2.466 1175 L HA 0.206 4.541 4.340 -0.009 0.000 0.248 1175 L C 0.644 177.468 176.870 -0.077 0.000 1.240 1175 L CA -0.345 54.403 54.840 -0.153 0.000 1.180 1175 L CB -0.939 41.083 42.059 -0.062 0.000 1.413 1175 L HN 0.324 nan 8.230 nan 0.000 0.406 1176 I N -2.385 118.124 120.570 -0.100 0.000 2.720 1176 I HA 0.305 4.470 4.170 -0.009 0.000 0.287 1176 I C 0.616 176.725 176.117 -0.013 0.000 1.090 1176 I CA -0.659 60.609 61.300 -0.052 0.000 1.384 1176 I CB 0.276 38.237 38.000 -0.066 0.000 1.420 1176 I HN 0.104 nan 8.210 nan 0.000 0.575 1177 E N 3.818 124.019 120.200 0.001 0.000 2.351 1177 E HA 0.332 4.677 4.350 -0.009 0.000 0.266 1177 E C -1.007 175.607 176.600 0.024 0.000 1.031 1177 E CA 0.273 56.687 56.400 0.023 0.000 0.911 1177 E CB 0.319 30.024 29.700 0.009 0.000 0.986 1177 E HN 0.436 nan 8.360 nan 0.000 0.446 1178 L N 2.536 123.796 121.223 0.062 0.000 2.343 1178 L HA 0.494 4.829 4.340 -0.009 0.000 0.275 1178 L C 1.215 178.114 176.870 0.048 0.000 1.056 1178 L CA -0.209 54.676 54.840 0.076 0.000 0.804 1178 L CB 1.555 43.714 42.059 0.166 0.000 1.203 1178 L HN 0.593 nan 8.230 nan 0.000 0.440 1179 G N 1.193 110.017 108.800 0.039 0.000 2.489 1179 G HA2 0.442 4.396 3.960 -0.009 0.000 0.271 1179 G HA3 0.442 4.396 3.960 -0.009 0.000 0.271 1179 G C -2.538 172.365 174.900 0.006 0.000 1.427 1179 G CA -0.799 44.307 45.100 0.010 0.000 1.057 1179 G HN 0.443 nan 8.290 nan 0.000 0.532 1180 P HA 0.352 nan 4.420 nan 0.000 0.277 1180 P C 0.380 177.663 177.300 -0.028 0.000 1.240 1180 P CA -0.375 62.710 63.100 -0.024 0.000 0.798 1180 P CB 0.752 32.433 31.700 -0.032 0.000 0.979 1181 L N -2.683 118.516 121.223 -0.039 0.000 4.625 1181 L HA -0.275 4.059 4.340 -0.009 0.000 0.428 1181 L C 0.173 177.009 176.870 -0.056 0.000 1.129 1181 L CA 0.822 55.632 54.840 -0.050 0.000 0.978 1181 L CB -1.386 40.638 42.059 -0.058 0.000 2.043 1181 L HN 0.458 nan 8.230 nan 0.000 0.847 1182 R N 0.476 120.960 120.500 -0.026 0.000 2.393 1182 R HA 0.723 5.058 4.340 -0.009 0.000 0.310 1182 R C -0.058 176.237 176.300 -0.009 0.000 0.968 1182 R CA 0.346 56.444 56.100 -0.003 0.000 0.867 1182 R CB 1.911 32.313 30.300 0.171 0.000 1.124 1182 R HN 0.257 nan 8.270 nan 0.000 0.450 1183 S N 1.889 117.546 115.700 -0.072 0.000 2.588 1183 S HA 0.770 5.235 4.470 -0.009 0.000 0.275 1183 S C -0.975 173.592 174.600 -0.055 0.000 1.130 1183 S CA -0.989 57.143 58.200 -0.114 0.000 0.855 1183 S CB 1.273 64.344 63.200 -0.215 0.000 1.116 1183 S HN 0.438 nan 8.310 nan 0.000 0.472 1184 F N -0.543 119.368 119.950 -0.064 0.000 2.611 1184 F HA 0.946 5.468 4.527 -0.009 0.000 0.324 1184 F C -0.956 174.722 175.800 -0.203 0.000 1.061 1184 F CA -1.111 56.833 58.000 -0.094 0.000 0.954 1184 F CB 1.461 40.465 39.000 0.007 0.000 1.301 1184 F HN 0.889 nan 8.300 nan 0.000 0.482 1185 K N 1.014 121.466 120.400 0.087 0.000 2.498 1185 K HA 0.785 5.100 4.320 -0.009 0.000 0.254 1185 K C -2.134 174.338 176.600 -0.213 0.000 0.933 1185 K CA -0.944 55.312 56.287 -0.052 0.000 0.806 1185 K CB 2.333 34.647 32.500 -0.309 0.000 1.301 1185 K HN 0.577 nan 8.250 nan 0.000 0.432 1186 V N 1.990 121.709 119.914 -0.325 0.000 2.975 1186 V HA 0.615 4.730 4.120 -0.009 0.000 0.318 1186 V C -0.887 174.765 176.094 -0.735 0.000 1.077 1186 V CA -0.687 61.389 62.300 -0.372 0.000 1.000 1186 V CB 0.822 32.542 31.823 -0.173 0.000 1.066 1186 V HN 0.722 nan 8.190 nan 0.000 0.452 1187 F N 0.865 120.835 119.950 0.033 0.000 2.588 1187 F HA 0.463 4.986 4.527 -0.008 0.000 0.314 1187 F C -0.155 175.689 175.800 0.074 0.000 1.134 1187 F CA -0.824 57.220 58.000 0.073 0.000 0.961 1187 F CB 2.031 41.095 39.000 0.107 0.000 1.239 1187 F HN 0.346 nan 8.300 nan 0.000 0.448 1188 K N 4.628 125.194 120.400 0.278 0.000 2.276 1188 K HA 0.666 4.981 4.320 -0.009 0.000 0.283 1188 K C -0.967 175.756 176.600 0.206 0.000 1.044 1188 K CA -0.224 56.176 56.287 0.189 0.000 0.944 1188 K CB 0.611 33.192 32.500 0.135 0.000 1.012 1188 K HN 0.641 nan 8.250 nan 0.000 0.472 1189 I N 0.178 120.856 120.570 0.181 0.000 2.740 1189 I HA 0.419 4.584 4.170 -0.009 0.000 0.303 1189 I C -0.537 175.646 176.117 0.110 0.000 1.044 1189 I CA -1.361 60.036 61.300 0.161 0.000 1.064 1189 I CB 1.751 39.887 38.000 0.227 0.000 1.249 1189 I HN 0.494 nan 8.210 nan 0.000 0.433 1190 K N 4.713 125.160 120.400 0.078 0.000 2.447 1190 K HA 0.269 4.584 4.320 -0.009 0.000 0.281 1190 K C -2.084 174.551 176.600 0.058 0.000 1.031 1190 K CA -1.053 55.267 56.287 0.055 0.000 1.019 1190 K CB 0.466 32.986 32.500 0.034 0.000 0.918 1190 K HN 0.451 nan 8.250 nan 0.000 0.476 1191 P HA -0.033 nan 4.420 nan 0.000 0.291 1191 P C 0.190 177.513 177.300 0.038 0.000 1.287 1191 P CA -0.124 63.011 63.100 0.057 0.000 0.767 1191 P CB 0.433 32.166 31.700 0.055 0.000 1.290 1192 E N 0.350 120.573 120.200 0.038 0.000 1.964 1192 E HA -0.154 4.191 4.350 -0.009 0.000 0.203 1192 E C 1.528 178.133 176.600 0.007 0.000 0.952 1192 E CA 1.226 57.641 56.400 0.025 0.000 0.892 1192 E CB -0.694 29.032 29.700 0.043 0.000 0.831 1192 E HN 0.464 nan 8.360 nan 0.000 0.548 1193 K N 0.784 121.177 120.400 -0.013 0.000 2.399 1193 K HA 0.033 4.348 4.320 -0.009 0.000 0.196 1193 K C 0.659 177.228 176.600 -0.051 0.000 1.103 1193 K CA -0.202 56.075 56.287 -0.017 0.000 0.986 1193 K CB 0.538 33.016 32.500 -0.037 0.000 0.952 1193 K HN -0.040 nan 8.250 nan 0.000 0.541 1194 R N 1.451 121.899 120.500 -0.087 0.000 2.488 1194 R HA -0.126 4.209 4.340 -0.009 0.000 0.317 1194 R C 0.554 176.859 176.300 0.007 0.000 0.941 1194 R CA 0.330 56.333 56.100 -0.162 0.000 1.076 1194 R CB -0.040 30.200 30.300 -0.101 0.000 0.917 1194 R HN 0.194 nan 8.270 nan 0.000 0.407 1195 W N 3.018 124.346 121.300 0.046 0.000 2.235 1195 W HA -0.324 4.325 4.660 -0.018 0.000 0.330 1195 W C 0.673 177.253 176.519 0.102 0.000 1.329 1195 W CA 1.708 59.102 57.345 0.081 0.000 1.337 1195 W CB -0.586 28.925 29.460 0.085 0.000 1.115 1195 W HN 0.634 nan 8.180 nan 0.000 0.491 1196 Q N -0.397 119.639 119.800 0.394 0.000 2.157 1196 Q HA 0.040 4.375 4.340 -0.009 0.000 0.229 1196 Q C 0.788 176.867 176.000 0.133 0.000 0.827 1196 Q CA -0.126 55.811 55.803 0.223 0.000 1.055 1196 Q CB 0.297 29.108 28.738 0.121 0.000 1.157 1196 Q HN 0.141 nan 8.270 nan 0.000 0.482 1197 D N 0.434 120.904 120.400 0.117 0.000 2.162 1197 D HA -0.044 4.591 4.640 -0.009 0.000 0.205 1197 D C 1.520 177.850 176.300 0.050 0.000 0.964 1197 D CA 0.566 54.607 54.000 0.069 0.000 0.847 1197 D CB 0.262 41.088 40.800 0.044 0.000 0.988 1197 D HN 0.147 nan 8.370 nan 0.000 0.480 1198 I N 0.980 121.580 120.570 0.049 0.000 2.345 1198 I HA -0.364 3.800 4.170 -0.009 0.000 0.228 1198 I C 1.941 178.032 176.117 -0.043 0.000 0.960 1198 I CA 1.583 62.886 61.300 0.005 0.000 1.262 1198 I CB -0.375 37.649 38.000 0.039 0.000 0.969 1198 I HN -0.123 nan 8.210 nan 0.000 0.385 1199 S N -0.571 115.131 115.700 0.004 0.000 2.671 1199 S HA 0.150 4.615 4.470 -0.009 0.000 0.220 1199 S C 1.437 176.046 174.600 0.016 0.000 0.951 1199 S CA 0.080 58.268 58.200 -0.020 0.000 0.932 1199 S CB -0.116 63.106 63.200 0.036 0.000 0.777 1199 S HN 0.337 nan 8.310 nan 0.000 0.508 1200 M N 0.575 120.204 119.600 0.048 0.000 2.447 1200 M HA 0.174 4.648 4.480 -0.009 0.000 0.266 1200 M C 2.017 178.426 176.300 0.181 0.000 1.120 1200 M CA 0.889 56.275 55.300 0.144 0.000 1.166 1200 M CB -0.111 32.553 32.600 0.106 0.000 1.349 1200 M HN 0.374 nan 8.290 nan 0.000 0.463 1201 M N 0.205 119.826 119.600 0.035 0.000 2.086 1201 M HA -0.229 4.246 4.480 -0.009 0.000 0.261 1201 M C 1.942 178.119 176.300 -0.207 0.000 1.067 1201 M CA 1.754 57.012 55.300 -0.070 0.000 1.116 1201 M CB -0.498 32.056 32.600 -0.077 0.000 1.348 1201 M HN 0.230 nan 8.290 nan 0.000 0.407 1202 R N 0.023 120.317 120.500 -0.343 0.000 2.168 1202 R HA -0.236 4.099 4.340 -0.009 0.000 0.242 1202 R C 2.273 178.426 176.300 -0.245 0.000 1.123 1202 R CA 2.559 58.288 56.100 -0.618 0.000 0.928 1202 R CB -0.498 29.497 30.300 -0.508 0.000 0.873 1202 R HN 0.477 nan 8.270 nan 0.000 0.434 1203 M N 0.421 119.959 119.600 -0.103 0.000 2.108 1203 M HA -0.183 4.292 4.480 -0.009 0.000 0.261 1203 M C 2.192 178.386 176.300 -0.176 0.000 1.066 1203 M CA 1.543 56.815 55.300 -0.045 0.000 1.107 1203 M CB -0.829 31.797 32.600 0.043 0.000 1.356 1203 M HN 0.168 nan 8.290 nan 0.000 0.406 1204 K N 0.178 120.357 120.400 -0.369 0.000 1.985 1204 K HA -0.134 4.181 4.320 -0.009 0.000 0.210 1204 K C 1.899 178.301 176.600 -0.330 0.000 1.047 1204 K CA 2.057 57.984 56.287 -0.599 0.000 0.932 1204 K CB -0.057 31.972 32.500 -0.785 0.000 0.716 1204 K HN 0.265 nan 8.250 nan 0.000 0.439 1205 T N 2.794 117.225 114.554 -0.206 0.000 2.652 1205 T HA -0.176 4.169 4.350 -0.009 0.000 0.267 1205 T C 1.969 176.647 174.700 -0.037 0.000 1.039 1205 T CA 1.659 63.687 62.100 -0.121 0.000 1.153 1205 T CB -0.289 68.651 68.868 0.121 0.000 0.863 1205 T HN 0.170 nan 8.240 nan 0.000 0.428 1206 I N 1.643 122.304 120.570 0.152 0.000 2.091 1206 I HA -0.246 3.919 4.170 -0.009 0.000 0.240 1206 I C 2.963 179.072 176.117 -0.014 0.000 1.046 1206 I CA 2.133 63.523 61.300 0.149 0.000 1.306 1206 I CB -1.684 36.422 38.000 0.175 0.000 1.018 1206 I HN 0.387 nan 8.210 nan 0.000 0.404 1207 G N 0.060 108.812 108.800 -0.079 0.000 2.440 1207 G HA2 -0.293 3.661 3.960 -0.009 0.000 0.218 1207 G HA3 -0.293 3.661 3.960 -0.009 0.000 0.218 1207 G C 1.589 176.376 174.900 -0.188 0.000 1.154 1207 G CA 0.999 46.022 45.100 -0.128 0.000 0.767 1207 G HN 0.463 nan 8.290 nan 0.000 0.552 1208 E N -0.554 119.488 120.200 -0.263 0.000 2.097 1208 E HA -0.212 4.133 4.350 -0.009 0.000 0.196 1208 E C 2.304 178.656 176.600 -0.413 0.000 1.000 1208 E CA 1.164 57.355 56.400 -0.349 0.000 0.804 1208 E CB -0.037 29.395 29.700 -0.447 0.000 0.740 1208 E HN 0.528 nan 8.360 nan 0.000 0.454 1209 H N -0.225 118.643 119.070 -0.338 0.000 2.307 1209 H HA -0.045 4.507 4.556 -0.008 0.000 0.303 1209 H C 2.379 177.432 175.328 -0.459 0.000 1.073 1209 H CA 1.337 57.063 56.048 -0.536 0.000 1.338 1209 H CB -0.421 29.069 29.762 -0.454 0.000 1.389 1209 H HN 0.196 nan 8.280 nan 0.000 0.503 1210 I N 0.370 120.843 120.570 -0.160 0.000 2.121 1210 I HA -0.345 3.820 4.170 -0.009 0.000 0.243 1210 I C 2.524 178.529 176.117 -0.188 0.000 1.047 1210 I CA 1.592 62.794 61.300 -0.164 0.000 1.308 1210 I CB -0.369 37.553 38.000 -0.129 0.000 1.015 1210 I HN 0.018 nan 8.210 nan 0.000 0.410 1211 V N 0.630 120.435 119.914 -0.182 0.000 2.307 1211 V HA -0.280 3.834 4.120 -0.009 0.000 0.245 1211 V C 2.634 178.650 176.094 -0.130 0.000 1.045 1211 V CA 1.957 64.166 62.300 -0.152 0.000 1.024 1211 V CB -1.261 30.484 31.823 -0.130 0.000 0.651 1211 V HN 0.533 nan 8.190 nan 0.000 0.449 1212 A N 0.576 123.275 122.820 -0.202 0.000 1.877 1212 A HA -0.210 4.105 4.320 -0.009 0.000 0.216 1212 A C 1.984 179.545 177.584 -0.038 0.000 1.186 1212 A CA 2.726 54.658 52.037 -0.175 0.000 0.620 1212 A CB -0.431 18.384 19.000 -0.308 0.000 0.822 1212 A HN 0.939 nan 8.150 nan 0.000 0.443 1213 H N -4.645 114.475 119.070 0.083 0.000 2.636 1213 H HA 0.304 4.855 4.556 -0.008 0.000 0.202 1213 H C 1.469 176.819 175.328 0.037 0.000 0.870 1213 H CA 0.122 56.259 56.048 0.148 0.000 0.943 1213 H CB -0.676 29.192 29.762 0.177 0.000 1.259 1213 H HN 0.188 nan 8.280 nan 0.000 0.440 1214 I N 2.271 123.080 120.570 0.399 0.000 2.236 1214 I HA -0.351 3.814 4.170 -0.009 0.000 0.249 1214 I C 2.583 178.679 176.117 -0.035 0.000 1.102 1214 I CA 2.403 63.774 61.300 0.119 0.000 1.365 1214 I CB -0.368 37.518 38.000 -0.190 0.000 1.051 1214 I HN 0.518 nan 8.210 nan 0.000 0.420 1215 Q N 0.240 119.929 119.800 -0.185 0.000 2.170 1215 Q HA -0.230 4.104 4.340 -0.009 0.000 0.203 1215 Q C 1.732 177.529 176.000 -0.338 0.000 0.976 1215 Q CA 1.607 57.222 55.803 -0.314 0.000 0.858 1215 Q CB -0.448 28.029 28.738 -0.435 0.000 0.907 1215 Q HN 0.612 nan 8.270 nan 0.000 0.433 1216 H N 0.590 119.685 119.070 0.041 0.000 2.525 1216 H HA 0.118 4.669 4.556 -0.009 0.000 0.275 1216 H C 1.252 176.606 175.328 0.044 0.000 0.984 1216 H CA 1.054 57.123 56.048 0.036 0.000 1.264 1216 H CB 0.341 30.129 29.762 0.043 0.000 1.432 1216 H HN 0.576 nan 8.280 nan 0.000 0.549 1217 E N 1.219 121.507 120.200 0.147 0.000 2.230 1217 E HA 0.052 4.397 4.350 -0.009 0.000 0.192 1217 E C 0.861 177.521 176.600 0.100 0.000 0.987 1217 E CA 0.464 56.946 56.400 0.137 0.000 0.841 1217 E CB 0.710 30.529 29.700 0.198 0.000 0.783 1217 E HN 0.179 nan 8.360 nan 0.000 0.481 1218 V N -1.430 118.526 119.914 0.071 0.000 3.114 1218 V HA 0.260 4.374 4.120 -0.009 0.000 0.308 1218 V C -1.006 175.073 176.094 -0.026 0.000 1.168 1218 V CA -0.771 61.563 62.300 0.057 0.000 1.015 1218 V CB 2.300 34.200 31.823 0.130 0.000 1.050 1218 V HN -0.194 nan 8.190 nan 0.000 0.433 1219 D N 1.320 121.697 120.400 -0.038 0.000 2.327 1219 D HA 0.321 4.955 4.640 -0.009 0.000 0.205 1219 D C -0.525 175.439 176.300 -0.560 0.000 0.989 1219 D CA 1.151 55.018 54.000 -0.221 0.000 0.873 1219 D CB 0.196 40.933 40.800 -0.104 0.000 0.955 1219 D HN 0.477 nan 8.370 nan 0.000 0.515 1220 F N 0.291 120.202 119.950 -0.065 0.000 2.581 1220 F HA 0.439 4.961 4.527 -0.009 0.000 0.311 1220 F C -0.897 174.892 175.800 -0.018 0.000 1.113 1220 F CA -1.251 56.697 58.000 -0.086 0.000 0.935 1220 F CB 1.906 40.824 39.000 -0.136 0.000 1.232 1220 F HN -0.294 nan 8.300 nan 0.000 0.445 1221 L N 3.021 124.289 121.223 0.076 0.000 2.346 1221 L HA 0.731 5.066 4.340 -0.009 0.000 0.274 1221 L C -1.869 174.963 176.870 -0.063 0.000 1.007 1221 L CA -0.545 54.332 54.840 0.062 0.000 0.818 1221 L CB 1.366 43.407 42.059 -0.030 0.000 1.284 1221 L HN 0.460 nan 8.230 nan 0.000 0.424 1222 F N 3.052 123.053 119.950 0.086 0.000 2.529 1222 F HA 0.528 5.050 4.527 -0.009 0.000 0.320 1222 F C -0.513 175.189 175.800 -0.163 0.000 1.118 1222 F CA -0.408 57.590 58.000 -0.004 0.000 0.915 1222 F CB 1.692 40.775 39.000 0.138 0.000 1.161 1222 F HN 0.440 nan 8.300 nan 0.000 0.445 1223 C N 5.735 124.902 119.300 -0.222 0.000 2.301 1223 C HA 0.798 5.253 4.460 -0.009 0.000 0.323 1223 C C -0.199 174.611 174.990 -0.300 0.000 1.265 1223 C CA -1.104 57.702 59.018 -0.353 0.000 1.503 1223 C CB -0.403 26.912 27.740 -0.708 0.000 2.195 1223 C HN 0.741 nan 8.230 nan 0.000 0.477 1224 M N 0.885 120.425 119.600 -0.099 0.000 2.530 1224 M HA 0.533 5.008 4.480 -0.009 0.000 0.307 1224 M C -1.193 175.012 176.300 -0.158 0.000 1.161 1224 M CA -0.444 54.805 55.300 -0.084 0.000 0.903 1224 M CB 1.181 33.790 32.600 0.016 0.000 1.711 1224 M HN 0.351 nan 8.290 nan 0.000 0.451 1225 D N 1.439 121.727 120.400 -0.187 0.000 2.419 1225 D HA 0.018 4.653 4.640 -0.009 0.000 0.236 1225 D C 0.784 176.839 176.300 -0.407 0.000 1.165 1225 D CA -0.058 53.788 54.000 -0.257 0.000 0.882 1225 D CB 1.805 42.439 40.800 -0.277 0.000 1.201 1225 D HN 0.511 nan 8.370 nan 0.000 0.443 1226 V N 1.425 121.074 119.914 -0.442 0.000 2.951 1226 V HA -0.131 3.984 4.120 -0.009 0.000 0.255 1226 V C 0.597 176.521 176.094 -0.284 0.000 1.088 1226 V CA 1.000 62.962 62.300 -0.563 0.000 1.109 1226 V CB -0.279 31.350 31.823 -0.324 0.000 0.724 1226 V HN 0.515 nan 8.190 nan 0.000 0.471 1227 D N 1.587 121.775 120.400 -0.353 0.000 2.977 1227 D HA 0.063 4.697 4.640 -0.009 0.000 0.241 1227 D C 0.240 176.307 176.300 -0.389 0.000 1.206 1227 D CA -0.051 53.546 54.000 -0.673 0.000 0.902 1227 D CB -0.412 39.983 40.800 -0.674 0.000 1.131 1227 D HN 0.755 nan 8.370 nan 0.000 0.447 1228 Q N -1.373 118.340 119.800 -0.146 0.000 2.534 1228 Q HA 0.624 4.958 4.340 -0.009 0.000 0.290 1228 Q C -1.102 174.946 176.000 0.080 0.000 0.991 1228 Q CA -1.363 54.423 55.803 -0.029 0.000 0.783 1228 Q CB 2.210 30.891 28.738 -0.095 0.000 1.470 1228 Q HN 0.033 nan 8.270 nan 0.000 0.406 1229 V N -2.146 117.768 119.914 -0.000 0.000 2.760 1229 V HA 0.619 4.733 4.120 -0.009 0.000 0.309 1229 V C -0.996 175.044 176.094 -0.090 0.000 1.077 1229 V CA -0.955 61.354 62.300 0.014 0.000 0.910 1229 V CB 1.195 33.090 31.823 0.119 0.000 1.008 1229 V HN 0.720 nan 8.190 nan 0.000 0.424 1230 F N 3.024 122.934 119.950 -0.067 0.000 2.504 1230 F HA 0.406 4.928 4.527 -0.009 0.000 0.369 1230 F C 1.607 177.335 175.800 -0.120 0.000 1.082 1230 F CA 0.272 58.232 58.000 -0.067 0.000 1.216 1230 F CB 1.185 40.173 39.000 -0.019 0.000 1.108 1230 F HN 0.615 nan 8.300 nan 0.000 0.554 1231 Q N 0.844 120.590 119.800 -0.090 0.000 2.390 1231 Q HA 0.104 4.438 4.340 -0.009 0.000 0.216 1231 Q C 0.040 175.720 176.000 -0.533 0.000 0.916 1231 Q CA 0.696 56.392 55.803 -0.178 0.000 0.911 1231 Q CB 0.588 29.322 28.738 -0.006 0.000 1.035 1231 Q HN 0.626 nan 8.270 nan 0.000 0.541 1232 D N -0.416 119.682 120.400 -0.503 0.000 2.744 1232 D HA 0.175 4.810 4.640 -0.009 0.000 0.304 1232 D C -0.833 175.422 176.300 -0.075 0.000 1.179 1232 D CA -0.557 53.220 54.000 -0.372 0.000 1.024 1232 D CB 1.420 42.162 40.800 -0.096 0.000 1.453 1232 D HN -0.320 nan 8.370 nan 0.000 0.529 1233 K N 1.002 121.502 120.400 0.165 0.000 2.466 1233 K HA 0.035 4.350 4.320 -0.009 0.000 0.278 1233 K C -0.276 176.447 176.600 0.206 0.000 1.048 1233 K CA 0.322 56.746 56.287 0.227 0.000 1.088 1233 K CB -0.353 32.249 32.500 0.170 0.000 0.884 1233 K HN 0.317 nan 8.250 nan 0.000 0.478 1234 F N 2.708 122.728 119.950 0.116 0.000 2.359 1234 F HA 0.364 4.886 4.527 -0.009 0.000 0.370 1234 F C 0.439 176.184 175.800 -0.091 0.000 1.077 1234 F CA -0.482 57.612 58.000 0.158 0.000 1.136 1234 F CB 0.648 39.910 39.000 0.436 0.000 1.387 1234 F HN 0.545 nan 8.300 nan 0.000 0.468 1235 G N 1.955 110.705 108.800 -0.083 0.000 3.075 1235 G HA2 0.341 4.295 3.960 -0.009 0.000 0.253 1235 G HA3 0.341 4.295 3.960 -0.009 0.000 0.253 1235 G C 0.723 175.419 174.900 -0.341 0.000 1.353 1235 G CA -0.183 44.797 45.100 -0.200 0.000 1.051 1235 G HN 0.597 nan 8.290 nan 0.000 0.553 1236 V N -0.737 118.978 119.914 -0.332 0.000 2.828 1236 V HA -0.125 3.990 4.120 -0.009 0.000 0.260 1236 V C 2.329 178.161 176.094 -0.436 0.000 1.101 1236 V CA 2.400 64.431 62.300 -0.448 0.000 1.123 1236 V CB -0.762 30.829 31.823 -0.388 0.000 0.704 1236 V HN 0.766 nan 8.190 nan 0.000 0.493 1237 E N 2.937 122.878 120.200 -0.432 0.000 2.209 1237 E HA -0.271 4.074 4.350 -0.009 0.000 0.196 1237 E C 1.951 178.232 176.600 -0.533 0.000 0.993 1237 E CA 2.148 58.229 56.400 -0.532 0.000 0.819 1237 E CB -1.131 28.213 29.700 -0.592 0.000 0.745 1237 E HN 0.826 nan 8.360 nan 0.000 0.477 1238 T N -0.945 113.291 114.554 -0.530 0.000 3.113 1238 T HA 0.171 4.516 4.350 -0.009 0.000 0.256 1238 T C 1.252 175.838 174.700 -0.189 0.000 1.131 1238 T CA -0.238 61.593 62.100 -0.448 0.000 1.074 1238 T CB -0.283 68.250 68.868 -0.558 0.000 0.944 1238 T HN 0.026 nan 8.240 nan 0.000 0.516 1239 L N 1.616 122.601 121.223 -0.396 0.000 2.426 1239 L HA 0.594 4.929 4.340 -0.009 0.000 0.271 1239 L C 0.928 177.507 176.870 -0.485 0.000 1.169 1239 L CA 0.038 54.488 54.840 -0.649 0.000 0.836 1239 L CB 0.504 41.704 42.059 -1.432 0.000 1.112 1239 L HN 0.498 nan 8.230 nan 0.000 0.465 1240 G N 1.090 109.707 108.800 -0.306 0.000 2.523 1240 G HA2 0.148 4.103 3.960 -0.009 0.000 0.291 1240 G HA3 0.148 4.103 3.960 -0.009 0.000 0.291 1240 G C -0.012 175.065 174.900 0.296 0.000 1.450 1240 G CA -0.423 44.700 45.100 0.038 0.000 0.790 1240 G HN 0.483 nan 8.290 nan 0.000 0.496 1241 E N -0.431 119.921 120.200 0.253 0.000 2.049 1241 E HA -0.105 4.240 4.350 -0.009 0.000 0.198 1241 E C 1.234 177.921 176.600 0.146 0.000 1.007 1241 E CA 2.044 58.561 56.400 0.195 0.000 0.809 1241 E CB -0.086 29.711 29.700 0.161 0.000 0.749 1241 E HN 0.688 nan 8.360 nan 0.000 0.450 1242 S N -0.893 114.892 115.700 0.142 0.000 2.614 1242 S HA 0.495 4.960 4.470 -0.009 0.000 0.275 1242 S C -0.800 173.846 174.600 0.077 0.000 1.161 1242 S CA -0.967 57.328 58.200 0.159 0.000 0.969 1242 S CB 2.108 65.478 63.200 0.283 0.000 1.059 1242 S HN -0.101 nan 8.310 nan 0.000 0.482 1243 V N 2.529 122.454 119.914 0.017 0.000 2.443 1243 V HA 0.823 4.938 4.120 -0.009 0.000 0.293 1243 V C 0.412 176.416 176.094 -0.150 0.000 1.021 1243 V CA -0.306 61.939 62.300 -0.091 0.000 0.848 1243 V CB 1.103 32.886 31.823 -0.066 0.000 0.998 1243 V HN 1.247 nan 8.190 nan 0.000 0.424 1244 A N 3.921 126.456 122.820 -0.475 0.000 2.294 1244 A HA 0.852 5.167 4.320 -0.009 0.000 0.330 1244 A C -0.428 177.078 177.584 -0.131 0.000 1.133 1244 A CA -0.609 51.074 52.037 -0.591 0.000 0.836 1244 A CB 1.462 19.487 19.000 -1.625 0.000 1.190 1244 A HN 0.769 nan 8.150 nan 0.000 0.492 1245 Q N 1.189 121.036 119.800 0.079 0.000 2.368 1245 Q HA 0.520 4.854 4.340 -0.009 0.000 0.263 1245 Q C -1.225 174.932 176.000 0.263 0.000 1.009 1245 Q CA -0.149 55.754 55.803 0.166 0.000 0.818 1245 Q CB 0.609 29.481 28.738 0.223 0.000 1.239 1245 Q HN 0.629 nan 8.270 nan 0.000 0.464 1246 L N 3.588 124.904 121.223 0.155 0.000 2.628 1246 L HA -0.024 4.311 4.340 -0.009 0.000 0.274 1246 L C 0.710 177.712 176.870 0.220 0.000 1.209 1246 L CA 0.367 55.284 54.840 0.129 0.000 0.930 1246 L CB 0.328 42.380 42.059 -0.012 0.000 1.183 1246 L HN 0.604 nan 8.230 nan 0.000 0.492 1247 Q N 2.494 122.437 119.800 0.239 0.000 2.297 1247 Q HA 0.069 4.404 4.340 -0.009 0.000 0.267 1247 Q C 0.798 177.020 176.000 0.369 0.000 1.006 1247 Q CA 0.314 56.282 55.803 0.276 0.000 0.896 1247 Q CB 1.666 30.542 28.738 0.230 0.000 1.186 1247 Q HN 0.803 nan 8.270 nan 0.000 0.392 1248 A N 4.226 127.237 122.820 0.317 0.000 1.978 1248 A HA -0.186 4.128 4.320 -0.009 0.000 0.220 1248 A C 1.304 178.885 177.584 -0.004 0.000 1.170 1248 A CA 1.208 53.292 52.037 0.080 0.000 0.636 1248 A CB -0.500 18.298 19.000 -0.336 0.000 0.810 1248 A HN 0.900 nan 8.150 nan 0.000 0.448 1249 W N -2.390 118.868 121.300 -0.070 0.000 2.658 1249 W HA 0.087 4.743 4.660 -0.008 0.000 0.263 1249 W C 1.414 177.732 176.519 -0.335 0.000 1.274 1249 W CA 0.215 57.366 57.345 -0.324 0.000 1.343 1249 W CB -0.254 28.859 29.460 -0.578 0.000 1.106 1249 W HN 0.504 nan 8.180 nan 0.000 0.615 1250 W N -1.313 120.198 121.300 0.352 0.000 3.127 1250 W HA 0.127 4.782 4.660 -0.008 0.000 0.344 1250 W C 1.890 178.599 176.519 0.317 0.000 1.151 1250 W CA -0.403 57.113 57.345 0.285 0.000 1.765 1250 W CB -1.087 28.502 29.460 0.215 0.000 1.085 1250 W HN 0.016 nan 8.180 nan 0.000 0.596 1251 Y N 0.610 121.149 120.300 0.398 0.000 2.256 1251 Y HA -0.096 4.449 4.550 -0.009 0.000 0.288 1251 Y C 1.635 177.778 175.900 0.405 0.000 1.155 1251 Y CA 1.522 59.860 58.100 0.397 0.000 1.203 1251 Y CB -0.628 38.043 38.460 0.352 0.000 0.980 1251 Y HN -0.157 nan 8.280 nan 0.000 0.530 1252 K N 0.994 121.186 120.400 -0.348 0.000 2.417 1252 K HA 0.389 4.704 4.320 -0.009 0.000 0.196 1252 K C 0.392 177.000 176.600 0.013 0.000 1.023 1252 K CA 0.153 56.274 56.287 -0.277 0.000 1.122 1252 K CB 0.255 32.463 32.500 -0.487 0.000 0.850 1252 K HN 0.386 nan 8.250 nan 0.000 0.521 1253 A N 1.086 124.028 122.820 0.203 0.000 2.264 1253 A HA 0.150 4.465 4.320 -0.009 0.000 0.304 1253 A C -0.593 177.085 177.584 0.155 0.000 1.100 1253 A CA -0.570 51.615 52.037 0.248 0.000 0.839 1253 A CB 0.538 19.841 19.000 0.506 0.000 1.121 1253 A HN 0.108 nan 8.150 nan 0.000 0.496 1254 D N 0.972 121.354 120.400 -0.030 0.000 2.280 1254 D HA 0.278 4.913 4.640 -0.009 0.000 0.243 1254 D C -1.644 174.246 176.300 -0.683 0.000 1.129 1254 D CA -1.557 52.303 54.000 -0.233 0.000 0.848 1254 D CB 1.387 42.105 40.800 -0.137 0.000 1.107 1254 D HN 0.065 nan 8.370 nan 0.000 0.471 1255 P HA -0.223 nan 4.420 nan 0.000 0.222 1255 P C 0.769 177.324 177.300 -1.241 0.000 1.157 1255 P CA 1.312 63.267 63.100 -1.909 0.000 0.905 1255 P CB 0.129 31.371 31.700 -0.763 0.000 0.792 1256 N N -1.170 117.128 118.700 -0.669 0.000 2.635 1256 N HA -0.131 4.603 4.740 -0.009 0.000 0.191 1256 N C 0.771 175.979 175.510 -0.504 0.000 1.155 1256 N CA 0.774 53.504 53.050 -0.533 0.000 0.927 1256 N CB -0.312 38.066 38.487 -0.180 0.000 0.976 1256 N HN 0.280 nan 8.380 nan 0.000 0.448 1257 D N -0.353 119.736 120.400 -0.519 0.000 2.469 1257 D HA 0.126 4.761 4.640 -0.009 0.000 0.213 1257 D C -0.095 175.902 176.300 -0.504 0.000 1.135 1257 D CA -0.299 53.515 54.000 -0.310 0.000 0.834 1257 D CB 0.403 41.187 40.800 -0.028 0.000 1.009 1257 D HN 0.089 nan 8.370 nan 0.000 0.507 1258 F N 1.759 121.218 119.950 -0.819 0.000 2.578 1258 F HA -0.016 4.505 4.527 -0.010 0.000 0.376 1258 F C 1.632 176.701 175.800 -1.218 0.000 1.085 1258 F CA -0.144 57.043 58.000 -1.355 0.000 1.260 1258 F CB 0.675 38.741 39.000 -1.556 0.000 1.095 1258 F HN -0.158 nan 8.300 nan 0.000 0.573 1259 T N 1.728 115.524 114.554 -1.263 0.000 4.354 1259 T HA 0.036 4.381 4.350 -0.009 0.000 0.234 1259 T C 0.032 174.600 174.700 -0.221 0.000 0.798 1259 T CA -0.122 61.647 62.100 -0.552 0.000 0.885 1259 T CB -1.359 67.372 68.868 -0.229 0.000 1.350 1259 T HN 0.364 nan 8.240 nan 0.000 0.755 1260 Y N 0.683 120.857 120.300 -0.209 0.000 2.335 1260 Y HA 0.183 4.728 4.550 -0.009 0.000 0.348 1260 Y C 1.208 177.106 175.900 -0.003 0.000 1.280 1260 Y CA -1.262 56.836 58.100 -0.003 0.000 1.504 1260 Y CB 0.483 38.913 38.460 -0.048 0.000 1.366 1260 Y HN 0.232 nan 8.280 nan 0.000 0.621 1261 E N 1.236 121.546 120.200 0.184 0.000 2.299 1261 E HA 0.047 4.392 4.350 -0.009 0.000 0.272 1261 E C -0.124 176.532 176.600 0.093 0.000 1.043 1261 E CA -0.051 56.399 56.400 0.084 0.000 0.895 1261 E CB 0.510 30.212 29.700 0.003 0.000 1.011 1261 E HN 0.358 nan 8.360 nan 0.000 0.432 1262 R N 3.685 124.282 120.500 0.161 0.000 2.397 1262 R HA 0.193 4.528 4.340 -0.009 0.000 0.241 1262 R C -0.059 176.540 176.300 0.498 0.000 0.914 1262 R CA -0.024 56.245 56.100 0.281 0.000 1.071 1262 R CB 0.114 30.612 30.300 0.329 0.000 1.116 1262 R HN 0.360 nan 8.270 nan 0.000 0.524 1263 R N 2.585 123.302 120.500 0.362 0.000 2.220 1263 R HA 0.091 4.426 4.340 -0.009 0.000 0.340 1263 R C 1.188 177.545 176.300 0.096 0.000 1.076 1263 R CA -0.219 56.006 56.100 0.208 0.000 0.920 1263 R CB 0.750 31.095 30.300 0.074 0.000 1.062 1263 R HN -0.028 nan 8.270 nan 0.000 0.469 1264 K N 2.271 122.400 120.400 -0.452 0.000 2.293 1264 K HA -0.232 4.083 4.320 -0.009 0.000 0.204 1264 K C 0.323 176.710 176.600 -0.355 0.000 1.045 1264 K CA 1.568 57.233 56.287 -1.036 0.000 0.933 1264 K CB 0.137 32.024 32.500 -1.021 0.000 0.736 1264 K HN 0.490 nan 8.250 nan 0.000 0.463 1265 E N 1.353 121.450 120.200 -0.171 0.000 2.418 1265 E HA -0.026 4.319 4.350 -0.009 0.000 0.197 1265 E C 0.770 177.350 176.600 -0.033 0.000 1.026 1265 E CA 0.376 56.723 56.400 -0.089 0.000 0.862 1265 E CB 0.184 29.843 29.700 -0.068 0.000 0.799 1265 E HN 0.346 nan 8.360 nan 0.000 0.518 1266 S N -0.756 114.953 115.700 0.014 0.000 2.651 1266 S HA 0.555 5.019 4.470 -0.009 0.000 0.291 1266 S C 1.019 175.670 174.600 0.085 0.000 1.141 1266 S CA -0.244 57.986 58.200 0.050 0.000 1.027 1266 S CB 1.614 64.843 63.200 0.049 0.000 1.043 1266 S HN 0.088 nan 8.310 nan 0.000 0.530 1267 A N 2.516 125.398 122.820 0.104 0.000 2.121 1267 A HA 0.319 4.634 4.320 -0.009 0.000 0.218 1267 A C 1.794 179.451 177.584 0.122 0.000 1.154 1267 A CA 1.238 53.343 52.037 0.115 0.000 0.679 1267 A CB -0.874 18.198 19.000 0.120 0.000 0.795 1267 A HN 1.252 nan 8.150 nan 0.000 0.458 1268 A N -1.717 121.137 122.820 0.057 0.000 2.379 1268 A HA 0.346 4.660 4.320 -0.009 0.000 0.236 1268 A C 0.417 177.986 177.584 -0.025 0.000 1.272 1268 A CA -0.510 51.475 52.037 -0.087 0.000 0.886 1268 A CB -0.581 18.139 19.000 -0.466 0.000 0.962 1268 A HN 0.464 nan 8.150 nan 0.000 0.504 1269 Y N 1.059 121.329 120.300 -0.049 0.000 2.677 1269 Y HA 0.335 4.881 4.550 -0.007 0.000 0.335 1269 Y C -0.291 175.586 175.900 -0.039 0.000 1.162 1269 Y CA -0.170 57.916 58.100 -0.024 0.000 1.483 1269 Y CB -0.114 38.345 38.460 -0.001 0.000 1.209 1269 Y HN 0.244 nan 8.280 nan 0.000 0.528 1270 I N 10.046 130.251 120.570 -0.609 0.000 2.389 1270 I HA 0.325 4.490 4.170 -0.009 0.000 0.288 1270 I C -2.223 173.374 176.117 -0.867 0.000 0.999 1270 I CA -2.323 58.596 61.300 -0.635 0.000 1.129 1270 I CB 1.727 39.395 38.000 -0.553 0.000 1.288 1270 I HN 0.497 nan 8.210 nan 0.000 0.444 1271 P HA 0.164 nan 4.420 nan 0.000 0.274 1271 P C -0.498 176.831 177.300 0.050 0.000 1.246 1271 P CA -0.281 62.629 63.100 -0.317 0.000 0.795 1271 P CB 0.525 32.252 31.700 0.046 0.000 1.006 1272 F N 0.135 120.057 119.950 -0.046 0.000 2.586 1272 F HA 0.271 4.792 4.527 -0.010 0.000 0.344 1272 F C 2.189 177.982 175.800 -0.011 0.000 1.188 1272 F CA 2.020 60.010 58.000 -0.018 0.000 1.359 1272 F CB -1.092 37.902 39.000 -0.009 0.000 1.129 1272 F HN 0.753 nan 8.300 nan 0.000 0.609 1273 G N 0.522 109.397 108.800 0.126 0.000 2.640 1273 G HA2 -0.270 3.685 3.960 -0.009 0.000 0.226 1273 G HA3 -0.270 3.685 3.960 -0.009 0.000 0.226 1273 G C 0.384 175.309 174.900 0.042 0.000 1.222 1273 G CA 0.112 45.253 45.100 0.068 0.000 0.729 1273 G HN 0.583 nan 8.290 nan 0.000 0.516 1274 E N 1.174 121.405 120.200 0.051 0.000 2.392 1274 E HA 0.472 4.816 4.350 -0.009 0.000 0.259 1274 E C 0.543 177.221 176.600 0.129 0.000 1.108 1274 E CA 0.514 56.942 56.400 0.048 0.000 0.916 1274 E CB 0.915 30.615 29.700 0.001 0.000 0.989 1274 E HN 1.734 nan 8.360 nan 0.000 0.432 1275 G N 2.035 110.931 108.800 0.161 0.000 2.885 1275 G HA2 -0.107 3.848 3.960 -0.009 0.000 0.685 1275 G HA3 -0.107 3.848 3.960 -0.009 0.000 0.685 1275 G C -0.632 174.430 174.900 0.270 0.000 1.216 1275 G CA -0.312 45.010 45.100 0.370 0.000 0.790 1275 G HN 0.589 nan 8.290 nan 0.000 0.631 1276 D N 0.279 120.836 120.400 0.262 0.000 2.615 1276 D HA 0.402 5.037 4.640 -0.009 0.000 0.259 1276 D C 0.662 176.753 176.300 -0.348 0.000 0.999 1276 D CA 0.697 54.680 54.000 -0.027 0.000 0.938 1276 D CB 0.360 41.227 40.800 0.112 0.000 1.121 1276 D HN 0.429 nan 8.370 nan 0.000 0.487 1277 F N -1.069 119.002 119.950 0.202 0.000 2.629 1277 F HA 0.382 4.904 4.527 -0.009 0.000 0.316 1277 F C -1.273 174.041 175.800 -0.810 0.000 1.081 1277 F CA -1.585 56.278 58.000 -0.229 0.000 0.954 1277 F CB 1.740 40.482 39.000 -0.431 0.000 1.337 1277 F HN -0.238 nan 8.300 nan 0.000 0.474 1278 Y N 2.157 121.788 120.300 -1.115 0.000 2.491 1278 Y HA 0.458 5.003 4.550 -0.010 0.000 0.334 1278 Y C -1.081 174.596 175.900 -0.372 0.000 0.969 1278 Y CA -0.916 56.591 58.100 -0.989 0.000 1.241 1278 Y CB 0.123 37.700 38.460 -1.472 0.000 1.105 1278 Y HN 0.430 nan 8.280 nan 0.000 0.503 1279 Y N 3.892 123.989 120.300 -0.339 0.000 2.326 1279 Y HA 0.129 4.673 4.550 -0.010 0.000 0.333 1279 Y C 0.391 176.124 175.900 -0.277 0.000 1.240 1279 Y CA -0.218 57.789 58.100 -0.155 0.000 1.365 1279 Y CB 0.530 39.031 38.460 0.067 0.000 1.289 1279 Y HN 0.564 nan 8.280 nan 0.000 0.548 1280 H N 0.919 120.031 119.070 0.071 0.000 2.489 1280 H HA 0.380 4.930 4.556 -0.009 0.000 0.322 1280 H C 0.284 175.668 175.328 0.093 0.000 1.091 1280 H CA -0.221 55.846 56.048 0.032 0.000 1.291 1280 H CB 1.374 31.198 29.762 0.104 0.000 1.436 1280 H HN 0.940 nan 8.280 nan 0.000 0.480 1281 A N 4.016 127.013 122.820 0.295 0.000 2.119 1281 A HA -0.022 4.292 4.320 -0.009 0.000 0.217 1281 A C 2.137 179.799 177.584 0.130 0.000 1.153 1281 A CA 1.034 53.177 52.037 0.177 0.000 0.692 1281 A CB -0.407 18.666 19.000 0.122 0.000 0.799 1281 A HN 0.781 nan 8.150 nan 0.000 0.458 1282 A N -0.769 121.913 122.820 -0.230 0.000 2.209 1282 A HA 0.382 4.696 4.320 -0.009 0.000 0.212 1282 A C 0.700 178.156 177.584 -0.213 0.000 1.158 1282 A CA 0.651 52.435 52.037 -0.422 0.000 0.742 1282 A CB -0.288 18.111 19.000 -1.002 0.000 0.790 1282 A HN 0.434 nan 8.150 nan 0.000 0.472 1283 I N -0.791 119.778 120.570 -0.001 0.000 2.680 1283 I HA 0.475 4.640 4.170 -0.009 0.000 0.291 1283 I C -1.351 175.002 176.117 0.393 0.000 1.244 1283 I CA -0.698 60.688 61.300 0.144 0.000 1.042 1283 I CB 2.277 40.372 38.000 0.159 0.000 1.277 1283 I HN 0.294 nan 8.210 nan 0.000 0.423 1284 F N 3.275 123.370 119.950 0.241 0.000 2.719 1284 F HA 0.937 5.460 4.527 -0.008 0.000 0.309 1284 F C -0.493 175.363 175.800 0.093 0.000 1.138 1284 F CA -0.638 57.481 58.000 0.199 0.000 0.943 1284 F CB 1.620 40.745 39.000 0.208 0.000 1.304 1284 F HN 0.580 nan 8.300 nan 0.000 0.445 1285 G N -0.443 108.352 108.800 -0.008 0.000 2.451 1285 G HA2 0.718 4.673 3.960 -0.009 0.000 0.292 1285 G HA3 0.718 4.673 3.960 -0.009 0.000 0.292 1285 G C -1.239 173.512 174.900 -0.249 0.000 1.427 1285 G CA -0.132 44.730 45.100 -0.398 0.000 0.792 1285 G HN 1.828 nan 8.290 nan 0.000 0.498 1286 G N -1.454 107.222 108.800 -0.206 0.000 2.435 1286 G HA2 0.736 4.691 3.960 -0.009 0.000 0.296 1286 G HA3 0.736 4.691 3.960 -0.009 0.000 0.296 1286 G C 0.120 175.014 174.900 -0.010 0.000 1.240 1286 G CA 0.982 46.067 45.100 -0.025 0.000 0.872 1286 G HN 1.811 nan 8.290 nan 0.000 0.480 1287 T N -0.302 114.201 114.554 -0.084 0.000 2.903 1287 T HA 0.380 4.725 4.350 -0.009 0.000 0.314 1287 T C -1.372 173.236 174.700 -0.152 0.000 1.078 1287 T CA -0.178 61.757 62.100 -0.275 0.000 1.114 1287 T CB 1.583 70.282 68.868 -0.281 0.000 0.987 1287 T HN 0.136 nan 8.240 nan 0.000 0.548 1288 P HA -0.035 nan 4.420 nan 0.000 0.217 1288 P C 1.754 178.994 177.300 -0.100 0.000 1.150 1288 P CA 0.965 63.992 63.100 -0.121 0.000 0.832 1288 P CB -0.267 31.349 31.700 -0.141 0.000 0.787 1289 T N -0.265 114.225 114.554 -0.106 0.000 2.649 1289 T HA -0.248 4.097 4.350 -0.009 0.000 0.268 1289 T C 1.857 176.536 174.700 -0.036 0.000 1.036 1289 T CA 1.521 63.578 62.100 -0.072 0.000 1.157 1289 T CB -0.655 68.173 68.868 -0.067 0.000 0.861 1289 T HN 0.190 nan 8.240 nan 0.000 0.445 1290 Q N 0.090 119.876 119.800 -0.024 0.000 2.020 1290 Q HA -0.013 4.322 4.340 -0.009 0.000 0.198 1290 Q C 2.735 178.743 176.000 0.014 0.000 0.974 1290 Q CA 1.026 56.844 55.803 0.025 0.000 0.829 1290 Q CB -0.788 27.983 28.738 0.054 0.000 0.894 1290 Q HN 0.440 nan 8.270 nan 0.000 0.433 1291 V N 1.742 121.656 119.914 0.001 0.000 2.392 1291 V HA -0.257 3.858 4.120 -0.009 0.000 0.249 1291 V C 2.454 178.547 176.094 -0.002 0.000 1.059 1291 V CA 1.443 63.761 62.300 0.031 0.000 1.051 1291 V CB -0.839 30.994 31.823 0.018 0.000 0.658 1291 V HN 0.225 nan 8.190 nan 0.000 0.455 1292 L N 1.265 122.469 121.223 -0.031 0.000 1.978 1292 L HA -0.258 4.077 4.340 -0.009 0.000 0.218 1292 L C 2.154 178.998 176.870 -0.043 0.000 1.075 1292 L CA 2.643 57.455 54.840 -0.047 0.000 0.767 1292 L CB -1.165 40.858 42.059 -0.060 0.000 0.890 1292 L HN 0.400 nan 8.230 nan 0.000 0.434 1293 N N -1.039 117.650 118.700 -0.019 0.000 2.364 1293 N HA -0.146 4.589 4.740 -0.009 0.000 0.183 1293 N C 1.678 177.174 175.510 -0.024 0.000 1.022 1293 N CA 1.397 54.460 53.050 0.022 0.000 0.883 1293 N CB -0.179 38.355 38.487 0.079 0.000 0.965 1293 N HN 0.539 nan 8.380 nan 0.000 0.438 1294 I N -0.797 119.630 120.570 -0.238 0.000 2.206 1294 I HA -0.200 3.965 4.170 -0.009 0.000 0.239 1294 I C 2.468 178.305 176.117 -0.467 0.000 1.078 1294 I CA 1.393 62.227 61.300 -0.777 0.000 1.367 1294 I CB -0.921 36.554 38.000 -0.874 0.000 1.078 1294 I HN 0.263 nan 8.210 nan 0.000 0.413 1295 T N -0.612 113.810 114.554 -0.219 0.000 2.699 1295 T HA -0.275 4.070 4.350 -0.009 0.000 0.268 1295 T C 1.810 176.472 174.700 -0.062 0.000 1.036 1295 T CA 1.623 63.655 62.100 -0.113 0.000 1.147 1295 T CB -0.546 68.314 68.868 -0.014 0.000 0.862 1295 T HN 0.380 nan 8.240 nan 0.000 0.446 1296 Q N 0.435 120.208 119.800 -0.044 0.000 1.948 1296 Q HA -0.128 4.206 4.340 -0.009 0.000 0.205 1296 Q C 2.738 178.778 176.000 0.067 0.000 0.992 1296 Q CA 1.709 57.526 55.803 0.024 0.000 0.849 1296 Q CB -0.193 28.550 28.738 0.008 0.000 0.918 1296 Q HN 0.519 nan 8.270 nan 0.000 0.421 1297 E N 0.234 120.466 120.200 0.053 0.000 2.114 1297 E HA -0.213 4.132 4.350 -0.009 0.000 0.199 1297 E C 2.109 178.726 176.600 0.028 0.000 1.008 1297 E CA 1.003 57.452 56.400 0.081 0.000 0.810 1297 E CB -0.586 29.244 29.700 0.218 0.000 0.739 1297 E HN 0.401 nan 8.360 nan 0.000 0.456 1298 C N 0.316 119.593 119.300 -0.038 0.000 2.432 1298 C HA -0.136 4.318 4.460 -0.009 0.000 0.277 1298 C C 2.491 177.400 174.990 -0.135 0.000 1.249 1298 C CA 0.548 59.504 59.018 -0.104 0.000 1.725 1298 C CB -1.264 26.369 27.740 -0.179 0.000 2.028 1298 C HN 0.385 nan 8.230 nan 0.000 0.477 1299 F N 1.979 121.820 119.950 -0.182 0.000 2.069 1299 F HA -0.181 4.344 4.527 -0.004 0.000 0.298 1299 F C 2.296 177.997 175.800 -0.164 0.000 1.113 1299 F CA 1.918 59.817 58.000 -0.168 0.000 1.214 1299 F CB -0.480 38.447 39.000 -0.123 0.000 0.978 1299 F HN 0.148 nan 8.300 nan 0.000 0.474 1300 K N 0.021 120.364 120.400 -0.094 0.000 2.032 1300 K HA -0.135 4.180 4.320 -0.009 0.000 0.209 1300 K C 2.397 178.859 176.600 -0.229 0.000 1.048 1300 K CA 1.397 57.587 56.287 -0.161 0.000 0.927 1300 K CB -1.157 31.325 32.500 -0.029 0.000 0.712 1300 K HN 0.454 nan 8.250 nan 0.000 0.441 1301 G N 1.800 110.482 108.800 -0.196 0.000 2.628 1301 G HA2 -0.305 3.650 3.960 -0.009 0.000 0.217 1301 G HA3 -0.305 3.650 3.960 -0.009 0.000 0.217 1301 G C 1.511 176.123 174.900 -0.480 0.000 1.240 1301 G CA 1.583 46.545 45.100 -0.230 0.000 0.792 1301 G HN 0.203 nan 8.290 nan 0.000 0.593 1302 I N 0.399 120.472 120.570 -0.829 0.000 2.145 1302 I HA -0.224 3.941 4.170 -0.009 0.000 0.244 1302 I C 2.755 178.624 176.117 -0.414 0.000 1.075 1302 I CA 0.907 61.790 61.300 -0.695 0.000 1.332 1302 I CB -0.396 37.297 38.000 -0.511 0.000 1.033 1302 I HN 0.167 nan 8.210 nan 0.000 0.410 1303 L N 0.499 121.404 121.223 -0.530 0.000 1.970 1303 L HA -0.258 4.077 4.340 -0.009 0.000 0.212 1303 L C 2.800 179.515 176.870 -0.257 0.000 1.071 1303 L CA 1.619 56.185 54.840 -0.458 0.000 0.751 1303 L CB -0.409 41.268 42.059 -0.637 0.000 0.889 1303 L HN 0.186 nan 8.230 nan 0.000 0.432 1304 K N -0.068 120.200 120.400 -0.220 0.000 2.071 1304 K HA -0.293 4.022 4.320 -0.009 0.000 0.217 1304 K C 1.628 178.177 176.600 -0.084 0.000 1.054 1304 K CA 2.394 58.608 56.287 -0.122 0.000 0.937 1304 K CB -0.521 31.927 32.500 -0.087 0.000 0.719 1304 K HN 0.407 nan 8.250 nan 0.000 0.454 1305 D N -0.038 120.320 120.400 -0.070 0.000 2.350 1305 D HA -0.073 4.562 4.640 -0.009 0.000 0.216 1305 D C 1.755 178.029 176.300 -0.043 0.000 0.968 1305 D CA 0.734 54.722 54.000 -0.020 0.000 0.894 1305 D CB 0.151 40.991 40.800 0.066 0.000 0.909 1305 D HN 0.243 nan 8.370 nan 0.000 0.520 1306 K N 0.323 120.678 120.400 -0.074 0.000 2.099 1306 K HA -0.012 4.302 4.320 -0.009 0.000 0.203 1306 K C 1.670 178.242 176.600 -0.045 0.000 1.047 1306 K CA 0.375 56.629 56.287 -0.055 0.000 0.963 1306 K CB 0.329 32.789 32.500 -0.067 0.000 0.759 1306 K HN -0.197 nan 8.250 nan 0.000 0.451 1307 K N 1.076 121.440 120.400 -0.061 0.000 2.281 1307 K HA -0.101 4.213 4.320 -0.009 0.000 0.203 1307 K C 0.795 177.373 176.600 -0.037 0.000 1.046 1307 K CA 1.015 57.274 56.287 -0.047 0.000 0.938 1307 K CB -0.214 32.253 32.500 -0.056 0.000 0.737 1307 K HN 0.151 nan 8.250 nan 0.000 0.458 1308 N N 1.275 119.952 118.700 -0.038 0.000 2.320 1308 N HA -0.010 4.724 4.740 -0.009 0.000 0.237 1308 N C -0.870 174.622 175.510 -0.030 0.000 1.129 1308 N CA -0.028 53.002 53.050 -0.032 0.000 0.854 1308 N CB 0.234 38.702 38.487 -0.032 0.000 1.083 1308 N HN 0.029 nan 8.380 nan 0.000 0.504 1309 D N 0.242 120.626 120.400 -0.027 0.000 2.701 1309 D HA -0.221 4.413 4.640 -0.009 0.000 0.235 1309 D C -0.982 175.296 176.300 -0.036 0.000 1.155 1309 D CA 0.704 54.691 54.000 -0.022 0.000 0.649 1309 D CB -0.815 39.975 40.800 -0.017 0.000 1.050 1309 D HN 0.413 nan 8.370 nan 0.000 0.425 1310 I N 0.497 121.041 120.570 -0.043 0.000 2.529 1310 I HA 0.155 4.320 4.170 -0.009 0.000 0.284 1310 I C -0.152 175.915 176.117 -0.084 0.000 1.088 1310 I CA -0.632 60.630 61.300 -0.064 0.000 1.062 1310 I CB 1.030 38.999 38.000 -0.051 0.000 1.218 1310 I HN -0.107 nan 8.210 nan 0.000 0.442 1311 E N 5.359 125.470 120.200 -0.148 0.000 2.414 1311 E HA 0.337 4.681 4.350 -0.009 0.000 0.263 1311 E C -0.096 176.382 176.600 -0.204 0.000 1.000 1311 E CA -0.152 56.110 56.400 -0.230 0.000 0.914 1311 E CB 0.952 30.416 29.700 -0.392 0.000 0.948 1311 E HN 0.639 nan 8.360 nan 0.000 0.444 1312 A N 3.245 125.958 122.820 -0.179 0.000 2.340 1312 A HA 0.020 4.335 4.320 -0.009 0.000 0.268 1312 A C 1.067 178.528 177.584 -0.206 0.000 1.100 1312 A CA -0.255 51.694 52.037 -0.147 0.000 0.803 1312 A CB 1.111 20.042 19.000 -0.116 0.000 1.043 1312 A HN 0.876 nan 8.150 nan 0.000 0.488 1313 Q N 0.802 120.501 119.800 -0.168 0.000 2.045 1313 Q HA -0.184 4.151 4.340 -0.009 0.000 0.206 1313 Q C 0.150 175.897 176.000 -0.421 0.000 0.991 1313 Q CA 2.132 57.743 55.803 -0.320 0.000 0.851 1313 Q CB -0.046 28.541 28.738 -0.250 0.000 0.911 1313 Q HN 0.873 nan 8.270 nan 0.000 0.418 1314 W N -0.064 121.341 121.300 0.176 0.000 2.693 1314 W HA 0.256 4.913 4.660 -0.005 0.000 0.415 1314 W C -0.277 176.467 176.519 0.374 0.000 0.932 1314 W CA -0.526 57.005 57.345 0.311 0.000 2.200 1314 W CB 0.272 29.857 29.460 0.209 0.000 1.188 1314 W HN 0.300 nan 8.180 nan 0.000 0.665 1315 H N -0.457 118.714 119.070 0.168 0.000 1.452 1315 H HA -0.278 4.275 4.556 -0.005 0.000 0.090 1315 H C 1.341 176.803 175.328 0.224 0.000 2.690 1315 H CA 0.786 56.934 56.048 0.166 0.000 1.901 1315 H CB -1.112 28.750 29.762 0.168 0.000 2.257 1315 H HN 0.201 nan 8.280 nan 0.000 0.961 1316 D N 1.229 121.849 120.400 0.366 0.000 2.271 1316 D HA -0.183 4.452 4.640 -0.009 0.000 0.207 1316 D C 1.521 177.932 176.300 0.185 0.000 0.983 1316 D CA 1.900 56.061 54.000 0.269 0.000 0.878 1316 D CB -0.666 40.209 40.800 0.124 0.000 0.920 1316 D HN 0.675 nan 8.370 nan 0.000 0.479 1317 E N 0.415 120.735 120.200 0.201 0.000 2.153 1317 E HA -0.141 4.204 4.350 -0.009 0.000 0.194 1317 E C 1.549 178.239 176.600 0.151 0.000 0.988 1317 E CA 1.236 57.731 56.400 0.158 0.000 0.811 1317 E CB 0.022 29.845 29.700 0.205 0.000 0.746 1317 E HN 0.165 nan 8.360 nan 0.000 0.466 1318 S N -0.603 115.196 115.700 0.164 0.000 2.461 1318 S HA -0.036 4.429 4.470 -0.009 0.000 0.228 1318 S C 1.446 175.969 174.600 -0.129 0.000 1.005 1318 S CA 0.358 58.593 58.200 0.059 0.000 0.942 1318 S CB -0.154 63.047 63.200 0.001 0.000 0.776 1318 S HN 0.438 nan 8.310 nan 0.000 0.514 1319 H N 0.436 119.533 119.070 0.045 0.000 2.399 1319 H HA 0.153 4.702 4.556 -0.011 0.000 0.300 1319 H C 2.151 177.446 175.328 -0.055 0.000 1.048 1319 H CA 0.819 56.861 56.048 -0.011 0.000 1.370 1319 H CB -0.592 29.149 29.762 -0.035 0.000 1.428 1319 H HN 0.245 nan 8.280 nan 0.000 0.534 1320 L N 1.608 122.835 121.223 0.006 0.000 2.197 1320 L HA -0.179 4.156 4.340 -0.009 0.000 0.215 1320 L C 1.780 178.628 176.870 -0.036 0.000 1.095 1320 L CA 1.509 56.234 54.840 -0.191 0.000 0.764 1320 L CB -0.580 41.358 42.059 -0.202 0.000 0.897 1320 L HN 0.145 nan 8.230 nan 0.000 0.436 1321 N N -0.337 118.411 118.700 0.080 0.000 2.278 1321 N HA -0.164 4.571 4.740 -0.009 0.000 0.181 1321 N C 1.843 177.401 175.510 0.081 0.000 1.023 1321 N CA 1.042 54.203 53.050 0.185 0.000 0.862 1321 N CB 0.059 38.637 38.487 0.151 0.000 1.003 1321 N HN 0.264 nan 8.380 nan 0.000 0.431 1322 K N 0.768 121.138 120.400 -0.050 0.000 2.074 1322 K HA -0.207 4.108 4.320 -0.009 0.000 0.209 1322 K C 2.073 178.652 176.600 -0.035 0.000 1.048 1322 K CA 1.296 57.522 56.287 -0.102 0.000 0.926 1322 K CB -0.963 31.491 32.500 -0.076 0.000 0.713 1322 K HN 0.228 nan 8.250 nan 0.000 0.444 1323 Y N 0.169 120.388 120.300 -0.135 0.000 2.014 1323 Y HA -0.227 4.317 4.550 -0.010 0.000 0.270 1323 Y C 1.739 177.538 175.900 -0.169 0.000 1.145 1323 Y CA 2.400 60.367 58.100 -0.222 0.000 1.106 1323 Y CB -0.768 37.442 38.460 -0.416 0.000 0.968 1323 Y HN 0.133 nan 8.280 nan 0.000 0.484 1324 F N -0.338 119.778 119.950 0.277 0.000 2.494 1324 F HA -0.210 4.313 4.527 -0.007 0.000 0.298 1324 F C 2.346 178.193 175.800 0.078 0.000 1.106 1324 F CA 0.344 58.429 58.000 0.141 0.000 1.452 1324 F CB -0.122 38.828 39.000 -0.083 0.000 1.085 1324 F HN 0.225 nan 8.300 nan 0.000 0.569 1325 L N -0.188 121.142 121.223 0.177 0.000 2.023 1325 L HA -0.187 4.148 4.340 -0.009 0.000 0.205 1325 L C 2.127 178.936 176.870 -0.102 0.000 1.073 1325 L CA 1.543 56.401 54.840 0.029 0.000 0.745 1325 L CB -0.319 41.700 42.059 -0.067 0.000 0.900 1325 L HN 0.167 nan 8.230 nan 0.000 0.435 1326 L N -0.472 120.650 121.223 -0.168 0.000 2.044 1326 L HA -0.110 4.225 4.340 -0.009 0.000 0.205 1326 L C 0.618 177.325 176.870 -0.272 0.000 1.075 1326 L CA 0.790 55.497 54.840 -0.222 0.000 0.747 1326 L CB -0.413 41.502 42.059 -0.240 0.000 0.903 1326 L HN 0.317 nan 8.230 nan 0.000 0.435 1327 N N 1.621 120.087 118.700 -0.391 0.000 2.955 1327 N HA 0.132 4.867 4.740 -0.009 0.000 0.242 1327 N C -0.769 174.719 175.510 -0.036 0.000 1.123 1327 N CA -0.300 52.575 53.050 -0.293 0.000 0.949 1327 N CB 0.727 38.916 38.487 -0.497 0.000 1.214 1327 N HN 0.090 nan 8.380 nan 0.000 0.504 1328 K N 2.220 122.540 120.400 -0.134 0.000 2.530 1328 K HA 0.036 4.351 4.320 -0.009 0.000 0.280 1328 K C -1.926 174.790 176.600 0.194 0.000 1.004 1328 K CA -0.718 55.469 56.287 -0.165 0.000 1.071 1328 K CB 0.107 32.018 32.500 -0.981 0.000 0.876 1328 K HN 0.352 nan 8.250 nan 0.000 0.487 1329 P HA -0.015 nan 4.420 nan 0.000 0.269 1329 P C 0.615 178.132 177.300 0.362 0.000 1.215 1329 P CA 0.049 63.243 63.100 0.157 0.000 0.780 1329 P CB 0.397 31.861 31.700 -0.393 0.000 0.898 1330 T N -1.827 112.861 114.554 0.224 0.000 3.051 1330 T HA 0.102 4.447 4.350 -0.009 0.000 0.255 1330 T C 0.581 175.339 174.700 0.096 0.000 1.085 1330 T CA 0.546 62.777 62.100 0.219 0.000 1.109 1330 T CB 0.222 69.198 68.868 0.180 0.000 0.921 1330 T HN 0.399 nan 8.240 nan 0.000 0.488 1331 K N 0.407 120.818 120.400 0.018 0.000 2.513 1331 K HA 0.622 4.937 4.320 -0.009 0.000 0.251 1331 K C -1.901 174.620 176.600 -0.132 0.000 0.939 1331 K CA -0.908 55.335 56.287 -0.073 0.000 0.793 1331 K CB 1.950 34.410 32.500 -0.067 0.000 1.241 1331 K HN 0.175 nan 8.250 nan 0.000 0.431 1332 I N 5.215 125.682 120.570 -0.172 0.000 2.433 1332 I HA 0.324 4.489 4.170 -0.009 0.000 0.292 1332 I C -0.481 175.487 176.117 -0.248 0.000 1.001 1332 I CA -1.037 60.148 61.300 -0.192 0.000 1.119 1332 I CB 1.647 39.532 38.000 -0.192 0.000 1.289 1332 I HN 0.404 nan 8.210 nan 0.000 0.438 1333 L N 5.191 126.260 121.223 -0.257 0.000 2.289 1333 L HA 0.370 4.705 4.340 -0.009 0.000 0.285 1333 L C 0.708 177.388 176.870 -0.318 0.000 1.049 1333 L CA -0.463 54.144 54.840 -0.389 0.000 0.804 1333 L CB 1.487 43.294 42.059 -0.420 0.000 1.195 1333 L HN 0.698 nan 8.230 nan 0.000 0.428 1334 S N 2.743 118.146 115.700 -0.495 0.000 2.589 1334 S HA 0.206 4.671 4.470 -0.009 0.000 0.265 1334 S C -1.813 172.501 174.600 -0.476 0.000 1.342 1334 S CA -0.965 56.691 58.200 -0.907 0.000 1.005 1334 S CB 0.782 62.663 63.200 -2.197 0.000 0.909 1334 S HN 0.443 nan 8.310 nan 0.000 0.555 1335 P HA -0.095 nan 4.420 nan 0.000 0.222 1335 P C 0.856 178.136 177.300 -0.034 0.000 1.142 1335 P CA 1.227 64.249 63.100 -0.131 0.000 0.788 1335 P CB -0.084 31.517 31.700 -0.166 0.000 0.767 1336 E N -1.996 118.020 120.200 -0.306 0.000 2.204 1336 E HA -0.183 4.162 4.350 -0.009 0.000 0.195 1336 E C 1.103 177.509 176.600 -0.322 0.000 0.990 1336 E CA 0.967 57.165 56.400 -0.337 0.000 0.821 1336 E CB -0.433 29.027 29.700 -0.400 0.000 0.750 1336 E HN 0.446 nan 8.360 nan 0.000 0.477 1337 Y N -1.574 118.649 120.300 -0.129 0.000 2.511 1337 Y HA 0.092 4.637 4.550 -0.009 0.000 0.279 1337 Y C 0.973 176.944 175.900 0.119 0.000 1.157 1337 Y CA 0.007 58.088 58.100 -0.031 0.000 1.300 1337 Y CB 0.776 39.130 38.460 -0.177 0.000 1.052 1337 Y HN 0.008 nan 8.280 nan 0.000 0.529 1338 C N 1.327 120.777 119.300 0.250 0.000 3.235 1338 C HA 0.170 4.625 4.460 -0.009 0.000 0.198 1338 C C -0.494 174.742 174.990 0.409 0.000 1.527 1338 C CA -1.060 58.158 59.018 0.333 0.000 1.167 1338 C CB -1.341 26.618 27.740 0.366 0.000 1.938 1338 C HN 0.536 nan 8.230 nan 0.000 0.593 1339 W N 2.654 123.921 121.300 -0.054 0.000 2.287 1339 W HA 0.343 4.998 4.660 -0.008 0.000 0.313 1339 W C -0.467 175.677 176.519 -0.625 0.000 1.267 1339 W CA 0.370 57.502 57.345 -0.354 0.000 1.201 1339 W CB 0.788 29.924 29.460 -0.539 0.000 1.196 1339 W HN 0.476 nan 8.180 nan 0.000 0.536 1340 D N 4.785 123.933 120.400 -2.088 0.000 2.313 1340 D HA 0.042 4.676 4.640 -0.009 0.000 0.239 1340 D C 0.541 175.889 176.300 -1.586 0.000 1.142 1340 D CA -0.118 52.670 54.000 -2.020 0.000 0.847 1340 D CB 0.516 39.901 40.800 -2.360 0.000 1.082 1340 D HN 0.390 nan 8.370 nan 0.000 0.480 1341 Y N 2.172 122.129 120.300 -0.572 0.000 2.352 1341 Y HA -0.205 4.340 4.550 -0.009 0.000 0.292 1341 Y C 1.896 177.779 175.900 -0.028 0.000 1.136 1341 Y CA 0.680 58.745 58.100 -0.057 0.000 1.227 1341 Y CB 0.117 38.657 38.460 0.133 0.000 0.991 1341 Y HN 0.588 nan 8.280 nan 0.000 0.545 1342 H N -0.171 118.814 119.070 -0.141 0.000 2.357 1342 H HA -0.233 4.318 4.556 -0.009 0.000 0.296 1342 H C 2.126 177.308 175.328 -0.243 0.000 1.108 1342 H CA 1.890 57.889 56.048 -0.081 0.000 1.273 1342 H CB -0.788 29.020 29.762 0.077 0.000 1.367 1342 H HN 0.356 nan 8.280 nan 0.000 0.498 1343 I N -0.411 119.781 120.570 -0.631 0.000 2.530 1343 I HA -0.181 3.984 4.170 -0.009 0.000 0.257 1343 I C 1.731 177.737 176.117 -0.185 0.000 1.179 1343 I CA 1.003 61.800 61.300 -0.838 0.000 1.440 1343 I CB -0.389 36.811 38.000 -1.333 0.000 1.087 1343 I HN 0.529 nan 8.210 nan 0.000 0.440 1344 G N 0.847 109.675 108.800 0.047 0.000 2.501 1344 G HA2 -0.143 3.812 3.960 -0.009 0.000 0.213 1344 G HA3 -0.143 3.812 3.960 -0.009 0.000 0.213 1344 G C -0.763 174.394 174.900 0.428 0.000 1.158 1344 G CA -0.151 45.069 45.100 0.199 0.000 1.079 1344 G HN 0.212 nan 8.290 nan 0.000 0.586 1345 L N 1.513 122.882 121.223 0.244 0.000 2.434 1345 L HA 0.501 4.835 4.340 -0.009 0.000 0.255 1345 L C -2.062 174.782 176.870 -0.044 0.000 1.248 1345 L CA -0.614 54.255 54.840 0.048 0.000 0.870 1345 L CB 0.960 43.083 42.059 0.106 0.000 1.029 1345 L HN 0.750 nan 8.230 nan 0.000 0.514 1346 P HA 0.322 nan 4.420 nan 0.000 0.275 1346 P C 0.856 178.110 177.300 -0.077 0.000 1.266 1346 P CA 0.041 63.123 63.100 -0.029 0.000 0.793 1346 P CB 0.912 32.637 31.700 0.041 0.000 1.074 1347 A N 0.518 123.314 122.820 -0.040 0.000 2.084 1347 A HA -0.211 4.104 4.320 -0.009 0.000 0.221 1347 A C 1.591 179.143 177.584 -0.053 0.000 1.161 1347 A CA 1.962 53.969 52.037 -0.049 0.000 0.653 1347 A CB -1.075 17.903 19.000 -0.037 0.000 0.802 1347 A HN 0.524 nan 8.150 nan 0.000 0.457 1348 D N -0.356 120.034 120.400 -0.016 0.000 2.224 1348 D HA -0.016 4.618 4.640 -0.009 0.000 0.205 1348 D C 0.389 176.705 176.300 0.027 0.000 0.965 1348 D CA 0.619 54.636 54.000 0.028 0.000 0.852 1348 D CB -0.050 40.894 40.800 0.239 0.000 0.947 1348 D HN 0.324 nan 8.370 nan 0.000 0.494 1349 I N 1.626 122.083 120.570 -0.189 0.000 2.282 1349 I HA 0.104 4.268 4.170 -0.009 0.000 0.290 1349 I C 1.170 177.130 176.117 -0.261 0.000 1.090 1349 I CA -0.231 60.836 61.300 -0.388 0.000 1.231 1349 I CB 1.020 38.383 38.000 -1.062 0.000 1.434 1349 I HN -0.240 nan 8.210 nan 0.000 0.487 1350 K N 3.994 124.314 120.400 -0.133 0.000 2.314 1350 K HA 0.226 4.540 4.320 -0.009 0.000 0.198 1350 K C 0.121 176.667 176.600 -0.090 0.000 1.045 1350 K CA 0.381 56.617 56.287 -0.085 0.000 0.988 1350 K CB 0.718 33.200 32.500 -0.031 0.000 0.783 1350 K HN 0.432 nan 8.250 nan 0.000 0.484 1351 L N 0.313 121.461 121.223 -0.124 0.000 2.845 1351 L HA 0.169 4.503 4.340 -0.009 0.000 0.253 1351 L C -1.540 175.222 176.870 -0.179 0.000 0.959 1351 L CA -0.284 54.491 54.840 -0.108 0.000 1.001 1351 L CB 1.517 43.540 42.059 -0.060 0.000 1.374 1351 L HN -0.295 nan 8.230 nan 0.000 0.469 1352 V N 5.645 125.461 119.914 -0.164 0.000 2.470 1352 V HA 0.197 4.312 4.120 -0.009 0.000 0.276 1352 V C 1.082 177.081 176.094 -0.158 0.000 1.040 1352 V CA -0.223 61.958 62.300 -0.198 0.000 1.008 1352 V CB 0.979 32.710 31.823 -0.153 0.000 0.990 1352 V HN 0.757 nan 8.190 nan 0.000 0.477 1353 K N 3.374 123.630 120.400 -0.240 0.000 2.044 1353 K HA 0.217 4.532 4.320 -0.009 0.000 0.204 1353 K C 0.508 177.120 176.600 0.020 0.000 1.049 1353 K CA 1.114 57.321 56.287 -0.133 0.000 0.945 1353 K CB 0.162 32.486 32.500 -0.293 0.000 0.724 1353 K HN 0.639 nan 8.250 nan 0.000 0.440 1354 M N 0.269 119.868 119.600 -0.003 0.000 2.371 1354 M HA 0.250 4.724 4.480 -0.009 0.000 0.287 1354 M C -1.515 174.784 176.300 -0.001 0.000 1.149 1354 M CA -0.505 54.733 55.300 -0.102 0.000 0.929 1354 M CB 2.115 34.487 32.600 -0.381 0.000 1.683 1354 M HN 0.130 nan 8.290 nan 0.000 0.470 1355 S N 2.469 118.190 115.700 0.035 0.000 2.621 1355 S HA 0.739 5.203 4.470 -0.009 0.000 0.302 1355 S C -1.053 173.683 174.600 0.226 0.000 1.093 1355 S CA -0.712 57.556 58.200 0.114 0.000 1.017 1355 S CB 0.968 64.275 63.200 0.177 0.000 1.077 1355 S HN 0.669 nan 8.310 nan 0.000 0.517 1356 W N 1.093 122.348 121.300 -0.076 0.000 2.049 1356 W HA 0.426 5.081 4.660 -0.008 0.000 0.356 1356 W C 1.098 177.591 176.519 -0.044 0.000 1.323 1356 W CA -0.936 56.360 57.345 -0.082 0.000 1.336 1356 W CB -0.048 29.351 29.460 -0.101 0.000 1.176 1356 W HN 0.589 nan 8.180 nan 0.000 0.623 1357 Q N 0.207 120.095 119.800 0.147 0.000 2.318 1357 Q HA 0.301 4.636 4.340 -0.009 0.000 0.222 1357 Q C 0.102 176.223 176.000 0.202 0.000 1.003 1357 Q CA 0.092 55.962 55.803 0.112 0.000 0.936 1357 Q CB 1.064 29.720 28.738 -0.137 0.000 1.204 1357 Q HN 0.357 nan 8.270 nan 0.000 0.524 1358 T N 0.000 114.715 114.554 0.269 0.000 3.816 1358 T HA 0.000 4.345 4.350 -0.009 0.000 0.228 1358 T CA 0.000 62.280 62.100 0.300 0.000 1.349 1358 T CB 0.000 69.031 68.868 0.272 0.000 0.612 1358 T HN 0.000 nan 8.240 nan 0.000 0.658