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 1gw7_1_D DATA FIRST_RESID 1015 DATA SEQUENCE LRNQQAMAAN LQARQIVLQQ SYPVIQQVET QTFDPANRSV FDVTPANVGI DATA SEQUENCE VKGFLVKVTA AITNNHATEA VALTDFGPAN LVQRVIYYDP DNQRHTETSG DATA SEQUENCE WHLHFVNTAK QGAPFLSSMV TDSPIKYGDV MNVIDAPATI AAGATGELTM DATA SEQUENCE YYWVPLAYSE TDLTGAVLAN VPQSKQRLKL EFANNNTAFA AVGANPLEAI DATA SEQUENCE YQGAGAADCE FEEISYTVYQ SYLDQLPVGQ NGYILPLIDL STLYNLENSA DATA SEQUENCE QAGLTPNVDF VVQYANLYRY LSTIAVFDNG GSFNAGTDIN YLSQRTANFS DATA SEQUENCE DTRKLDPKTW AAQTRRRIAT DFPKGVYYCD NRDKPIYTLQ YGNVGFVVNP DATA SEQUENCE KTVNQNARLL MGYEYFTSRT E 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 1015 L HA 0.000 nan 4.340 nan 0.000 0.249 1015 L C 0.000 176.871 176.870 0.002 0.000 1.165 1015 L CA 0.000 54.843 54.840 0.004 0.000 0.813 1015 L CB 0.000 42.062 42.059 0.005 0.000 0.961 1016 R N 0.144 120.645 120.500 0.002 0.000 2.366 1016 R HA 0.245 4.585 4.340 0.000 0.000 0.201 1016 R C 1.590 177.889 176.300 -0.001 0.000 1.057 1016 R CA 2.225 58.326 56.100 0.001 0.000 1.086 1016 R CB -1.964 28.337 30.300 0.002 0.000 0.914 1016 R HN 1.969 nan 8.270 nan 0.000 0.476 1017 N N -0.454 118.244 118.700 -0.002 0.000 2.135 1017 N HA -0.173 4.567 4.740 0.000 0.000 0.186 1017 N C 2.488 177.992 175.510 -0.010 0.000 1.027 1017 N CA 1.915 54.962 53.050 -0.006 0.000 0.849 1017 N CB -0.757 37.726 38.487 -0.006 0.000 1.002 1017 N HN 0.745 nan 8.380 nan 0.000 0.425 1018 Q N 0.241 120.036 119.800 -0.008 0.000 2.133 1018 Q HA -0.326 4.014 4.340 0.000 0.000 0.208 1018 Q C 2.139 178.133 176.000 -0.010 0.000 0.991 1018 Q CA 2.248 58.045 55.803 -0.010 0.000 0.867 1018 Q CB -1.078 27.656 28.738 -0.006 0.000 0.911 1018 Q HN 0.954 nan 8.270 nan 0.000 0.417 1019 Q N -0.546 119.250 119.800 -0.007 0.000 2.079 1019 Q HA 0.060 4.400 4.340 0.000 0.000 0.200 1019 Q C 2.568 178.563 176.000 -0.007 0.000 0.974 1019 Q CA 1.202 57.002 55.803 -0.006 0.000 0.840 1019 Q CB -0.239 28.497 28.738 -0.003 0.000 0.898 1019 Q HN 0.724 nan 8.270 nan 0.000 0.430 1020 A N 1.263 124.078 122.820 -0.009 0.000 1.877 1020 A HA -0.172 4.148 4.320 0.000 0.000 0.216 1020 A C 2.141 179.714 177.584 -0.019 0.000 1.186 1020 A CA 1.465 53.495 52.037 -0.011 0.000 0.620 1020 A CB -0.512 18.481 19.000 -0.012 0.000 0.822 1020 A HN 0.269 nan 8.150 nan 0.000 0.443 1021 M N -0.605 118.981 119.600 -0.023 0.000 2.132 1021 M HA -0.108 4.372 4.480 0.000 0.000 0.263 1021 M C 2.558 178.842 176.300 -0.027 0.000 1.065 1021 M CA 1.345 56.626 55.300 -0.032 0.000 1.122 1021 M CB -0.515 32.064 32.600 -0.035 0.000 1.365 1021 M HN 0.479 nan 8.290 nan 0.000 0.411 1022 A N 0.665 123.474 122.820 -0.019 0.000 1.902 1022 A HA -0.065 4.255 4.320 0.000 0.000 0.217 1022 A C 2.399 179.975 177.584 -0.013 0.000 1.181 1022 A CA 2.040 54.067 52.037 -0.015 0.000 0.623 1022 A CB -0.897 18.096 19.000 -0.011 0.000 0.818 1022 A HN 0.491 nan 8.150 nan 0.000 0.443 1023 A N 0.217 123.030 122.820 -0.011 0.000 1.873 1023 A HA -0.196 4.124 4.320 0.000 0.000 0.215 1023 A C 1.959 179.537 177.584 -0.010 0.000 1.186 1023 A CA 2.051 54.084 52.037 -0.007 0.000 0.616 1023 A CB -0.850 18.148 19.000 -0.003 0.000 0.823 1023 A HN 0.657 nan 8.150 nan 0.000 0.442 1024 N N -0.273 118.417 118.700 -0.017 0.000 2.036 1024 N HA -0.200 4.540 4.740 0.000 0.000 0.195 1024 N C 1.582 177.077 175.510 -0.026 0.000 1.037 1024 N CA 1.901 54.937 53.050 -0.024 0.000 0.855 1024 N CB -0.363 38.101 38.487 -0.038 0.000 1.033 1024 N HN 0.294 nan 8.380 nan 0.000 0.423 1025 L N 1.088 122.293 121.223 -0.029 0.000 2.079 1025 L HA -0.134 4.206 4.340 0.000 0.000 0.210 1025 L C 2.338 179.196 176.870 -0.019 0.000 1.081 1025 L CA 1.782 56.605 54.840 -0.028 0.000 0.752 1025 L CB -1.151 40.891 42.059 -0.028 0.000 0.896 1025 L HN 0.431 nan 8.230 nan 0.000 0.433 1026 Q N -0.913 118.879 119.800 -0.014 0.000 2.079 1026 Q HA -0.188 4.152 4.340 0.000 0.000 0.200 1026 Q C 2.118 178.115 176.000 -0.006 0.000 0.974 1026 Q CA 1.713 57.511 55.803 -0.008 0.000 0.840 1026 Q CB -0.180 28.556 28.738 -0.004 0.000 0.898 1026 Q HN 0.624 nan 8.270 nan 0.000 0.430 1027 A N 1.345 124.163 122.820 -0.005 0.000 1.933 1027 A HA -0.209 4.111 4.320 0.000 0.000 0.218 1027 A C 2.134 179.713 177.584 -0.007 0.000 1.175 1027 A CA 1.461 53.497 52.037 -0.001 0.000 0.628 1027 A CB -0.679 18.323 19.000 0.003 0.000 0.814 1027 A HN 0.435 nan 8.150 nan 0.000 0.444 1028 R N -0.278 120.213 120.500 -0.014 0.000 2.073 1028 R HA -0.187 4.154 4.340 0.000 0.000 0.234 1028 R C 2.285 178.575 176.300 -0.018 0.000 1.134 1028 R CA 1.876 57.964 56.100 -0.019 0.000 0.952 1028 R CB -0.356 29.928 30.300 -0.026 0.000 0.850 1028 R HN 0.695 nan 8.270 nan 0.000 0.433 1029 Q N 0.103 119.893 119.800 -0.016 0.000 2.124 1029 Q HA -0.156 4.184 4.340 0.000 0.000 0.202 1029 Q C 2.275 178.268 176.000 -0.011 0.000 0.977 1029 Q CA 1.531 57.325 55.803 -0.015 0.000 0.850 1029 Q CB -0.093 28.637 28.738 -0.012 0.000 0.901 1029 Q HN 0.475 nan 8.270 nan 0.000 0.429 1030 I N 0.170 120.736 120.570 -0.006 0.000 2.252 1030 I HA -0.232 3.938 4.170 0.000 0.000 0.245 1030 I C 2.308 178.423 176.117 -0.003 0.000 1.102 1030 I CA 0.749 62.049 61.300 -0.000 0.000 1.385 1030 I CB -0.267 37.737 38.000 0.008 0.000 1.064 1030 I HN 0.008 nan 8.210 nan 0.000 0.414 1031 V N 1.199 121.106 119.914 -0.010 0.000 2.295 1031 V HA -0.275 3.845 4.120 0.000 0.000 0.246 1031 V C 2.405 178.485 176.094 -0.023 0.000 1.049 1031 V CA 1.757 64.046 62.300 -0.020 0.000 1.024 1031 V CB -0.435 31.371 31.823 -0.028 0.000 0.648 1031 V HN 0.360 nan 8.190 nan 0.000 0.447 1032 L N -0.372 120.835 121.223 -0.026 0.000 2.083 1032 L HA -0.237 4.103 4.340 0.000 0.000 0.209 1032 L C 2.622 179.471 176.870 -0.035 0.000 1.083 1032 L CA 1.980 56.797 54.840 -0.038 0.000 0.752 1032 L CB -0.561 41.476 42.059 -0.038 0.000 0.899 1032 L HN 0.438 nan 8.230 nan 0.000 0.433 1033 Q N -0.604 119.184 119.800 -0.020 0.000 2.083 1033 Q HA -0.193 4.147 4.340 0.000 0.000 0.198 1033 Q C 2.163 178.166 176.000 0.005 0.000 0.969 1033 Q CA 1.136 56.932 55.803 -0.010 0.000 0.838 1033 Q CB 0.215 28.950 28.738 -0.004 0.000 0.900 1033 Q HN 0.457 nan 8.270 nan 0.000 0.436 1034 Q N 0.299 120.105 119.800 0.010 0.000 2.250 1034 Q HA 0.054 4.394 4.340 0.000 0.000 0.200 1034 Q C 1.239 177.264 176.000 0.042 0.000 0.941 1034 Q CA 0.748 56.567 55.803 0.027 0.000 0.872 1034 Q CB 0.427 29.180 28.738 0.025 0.000 0.965 1034 Q HN 0.346 nan 8.270 nan 0.000 0.480 1035 S N -0.562 115.152 115.700 0.023 0.000 2.634 1035 S HA 0.318 4.788 4.470 0.000 0.000 0.261 1035 S C -0.578 174.066 174.600 0.074 0.000 1.271 1035 S CA -0.631 57.594 58.200 0.041 0.000 0.985 1035 S CB 0.778 63.980 63.200 0.003 0.000 0.968 1035 S HN 0.205 nan 8.310 nan 0.000 0.568 1036 Y N 0.843 121.122 120.300 -0.035 0.000 2.391 1036 Y HA 0.525 5.075 4.550 0.000 0.000 0.341 1036 Y C -2.828 173.015 175.900 -0.094 0.000 0.965 1036 Y CA -2.284 55.785 58.100 -0.052 0.000 1.067 1036 Y CB 1.906 40.341 38.460 -0.042 0.000 1.199 1036 Y HN 0.518 nan 8.280 nan 0.000 0.450 1037 P HA 0.234 nan 4.420 nan 0.000 0.276 1037 P C -1.401 175.742 177.300 -0.262 0.000 1.230 1037 P CA 0.030 62.912 63.100 -0.363 0.000 0.776 1037 P CB 1.058 32.517 31.700 -0.401 0.000 0.888 1038 V N 4.727 124.426 119.914 -0.358 0.000 2.760 1038 V HA 0.466 4.586 4.120 0.000 0.000 0.309 1038 V C -0.278 175.624 176.094 -0.319 0.000 1.077 1038 V CA -0.632 61.449 62.300 -0.365 0.000 0.910 1038 V CB 2.343 33.751 31.823 -0.692 0.000 1.008 1038 V HN 0.472 nan 8.190 nan 0.000 0.424 1039 I N 3.704 124.225 120.570 -0.081 0.000 2.418 1039 I HA 0.628 4.798 4.170 0.000 0.000 0.287 1039 I C -0.745 175.488 176.117 0.194 0.000 1.008 1039 I CA -0.094 61.249 61.300 0.072 0.000 1.104 1039 I CB 1.521 39.556 38.000 0.058 0.000 1.264 1039 I HN 0.844 nan 8.210 nan 0.000 0.438 1040 Q N 6.682 126.685 119.800 0.338 0.000 2.331 1040 Q HA 0.295 4.635 4.340 0.000 0.000 0.272 1040 Q C -1.445 174.780 176.000 0.374 0.000 1.062 1040 Q CA -0.756 55.267 55.803 0.367 0.000 0.806 1040 Q CB 2.243 31.196 28.738 0.359 0.000 1.312 1040 Q HN 0.729 nan 8.270 nan 0.000 0.431 1041 Q N 2.051 122.004 119.800 0.255 0.000 2.311 1041 Q HA 0.165 4.505 4.340 0.000 0.000 0.272 1041 Q C 0.205 176.215 176.000 0.017 0.000 1.012 1041 Q CA 0.179 55.926 55.803 -0.093 0.000 0.891 1041 Q CB 0.976 29.583 28.738 -0.219 0.000 1.201 1041 Q HN 0.644 nan 8.270 nan 0.000 0.391 1042 V N 0.092 120.011 119.914 0.009 0.000 3.570 1042 V HA 0.430 4.550 4.120 0.000 0.000 0.257 1042 V C 0.075 176.181 176.094 0.021 0.000 1.272 1042 V CA 0.426 62.761 62.300 0.059 0.000 1.079 1042 V CB 0.401 32.300 31.823 0.127 0.000 0.829 1042 V HN 0.834 nan 8.190 nan 0.000 0.454 1043 E N -0.621 119.569 120.200 -0.016 0.000 2.400 1043 E HA 0.521 4.871 4.350 0.000 0.000 0.285 1043 E C -1.581 174.961 176.600 -0.096 0.000 1.005 1043 E CA -0.295 56.093 56.400 -0.020 0.000 0.816 1043 E CB 2.194 31.936 29.700 0.069 0.000 1.220 1043 E HN 0.270 nan 8.360 nan 0.000 0.426 1044 T N 2.558 116.992 114.554 -0.200 0.000 2.909 1044 T HA 0.559 4.909 4.350 0.000 0.000 0.299 1044 T C -1.393 173.004 174.700 -0.505 0.000 1.073 1044 T CA -0.642 61.247 62.100 -0.352 0.000 0.999 1044 T CB 1.780 70.513 68.868 -0.225 0.000 1.098 1044 T HN 0.475 nan 8.240 nan 0.000 0.477 1045 Q N 0.793 120.109 119.800 -0.807 0.000 2.438 1045 Q HA 0.555 4.895 4.340 0.000 0.000 0.272 1045 Q C -1.824 173.879 176.000 -0.495 0.000 0.994 1045 Q CA -0.583 54.824 55.803 -0.661 0.000 0.887 1045 Q CB 1.928 30.166 28.738 -0.833 0.000 1.432 1045 Q HN 0.657 nan 8.270 nan 0.000 0.392 1046 T N 3.629 118.052 114.554 -0.218 0.000 2.841 1046 T HA 0.814 5.164 4.350 0.000 0.000 0.283 1046 T C -1.157 173.561 174.700 0.030 0.000 1.000 1046 T CA -0.400 61.611 62.100 -0.148 0.000 0.977 1046 T CB 0.466 69.250 68.868 -0.140 0.000 0.979 1046 T HN 0.475 nan 8.240 nan 0.000 0.446 1047 F N -0.490 119.365 119.950 -0.160 0.000 2.745 1047 F HA 0.741 5.268 4.527 0.000 0.000 0.316 1047 F C -1.729 174.053 175.800 -0.030 0.000 1.155 1047 F CA -1.262 56.709 58.000 -0.048 0.000 0.937 1047 F CB 1.244 40.283 39.000 0.064 0.000 1.361 1047 F HN 0.330 nan 8.300 nan 0.000 0.472 1048 D N 1.381 121.862 120.400 0.135 0.000 2.381 1048 D HA 0.426 5.066 4.640 0.000 0.000 0.235 1048 D C -2.170 174.266 176.300 0.227 0.000 1.068 1048 D CA -2.406 51.625 54.000 0.051 0.000 0.832 1048 D CB 2.296 43.148 40.800 0.086 0.000 1.101 1048 D HN 0.205 nan 8.370 nan 0.000 0.515 1049 P HA -0.116 nan 4.420 nan 0.000 0.220 1049 P C 0.904 178.329 177.300 0.209 0.000 1.144 1049 P CA 0.998 64.236 63.100 0.229 0.000 0.800 1049 P CB 0.312 32.020 31.700 0.012 0.000 0.772 1050 A N -0.726 122.203 122.820 0.182 0.000 2.015 1050 A HA -0.174 4.146 4.320 0.000 0.000 0.219 1050 A C 2.057 179.713 177.584 0.121 0.000 1.163 1050 A CA 1.584 53.710 52.037 0.148 0.000 0.646 1050 A CB -0.827 18.250 19.000 0.128 0.000 0.806 1050 A HN 0.163 nan 8.150 nan 0.000 0.448 1051 N N -1.415 117.366 118.700 0.136 0.000 2.387 1051 N HA 0.102 4.842 4.740 0.000 0.000 0.176 1051 N C 0.750 176.299 175.510 0.066 0.000 1.022 1051 N CA 0.577 53.686 53.050 0.099 0.000 0.883 1051 N CB 0.204 38.757 38.487 0.109 0.000 1.019 1051 N HN 0.559 nan 8.380 nan 0.000 0.435 1052 R N -0.742 119.822 120.500 0.106 0.000 2.664 1052 R HA 0.262 4.603 4.340 0.000 0.000 0.266 1052 R C -0.925 175.373 176.300 -0.002 0.000 1.046 1052 R CA -0.070 56.000 56.100 -0.050 0.000 0.885 1052 R CB 0.729 30.889 30.300 -0.235 0.000 1.254 1052 R HN 0.059 nan 8.270 nan 0.000 0.465 1053 S N 0.100 115.719 115.700 -0.135 0.000 2.800 1053 S HA 0.214 4.684 4.470 0.000 0.000 0.266 1053 S C -0.676 173.937 174.600 0.023 0.000 1.029 1053 S CA -0.318 57.932 58.200 0.084 0.000 1.302 1053 S CB 0.857 64.182 63.200 0.209 0.000 1.212 1053 S HN 0.146 nan 8.310 nan 0.000 0.683 1054 V N 2.882 122.578 119.914 -0.364 0.000 2.448 1054 V HA 0.678 4.798 4.120 0.000 0.000 0.295 1054 V C -1.342 174.365 176.094 -0.646 0.000 1.025 1054 V CA -0.422 61.699 62.300 -0.299 0.000 0.859 1054 V CB 0.997 32.686 31.823 -0.224 0.000 0.988 1054 V HN 0.426 nan 8.190 nan 0.000 0.431 1055 F N 2.145 122.021 119.950 -0.122 0.000 2.576 1055 F HA 0.508 5.035 4.527 0.000 0.000 0.313 1055 F C -0.073 175.645 175.800 -0.136 0.000 1.078 1055 F CA -0.844 57.085 58.000 -0.118 0.000 0.921 1055 F CB 1.966 40.911 39.000 -0.092 0.000 1.232 1055 F HN 0.382 nan 8.300 nan 0.000 0.459 1056 D N 2.597 123.032 120.400 0.058 0.000 2.441 1056 D HA 0.362 5.002 4.640 0.000 0.000 0.231 1056 D C -1.177 175.129 176.300 0.009 0.000 1.073 1056 D CA -0.086 53.904 54.000 -0.017 0.000 0.850 1056 D CB 1.650 42.416 40.800 -0.057 0.000 1.062 1056 D HN 0.219 nan 8.370 nan 0.000 0.524 1057 V N 3.363 123.255 119.914 -0.036 0.000 2.546 1057 V HA 0.277 4.397 4.120 0.000 0.000 0.284 1057 V C 0.685 176.740 176.094 -0.065 0.000 1.050 1057 V CA -0.228 62.055 62.300 -0.029 0.000 0.981 1057 V CB 1.685 33.461 31.823 -0.079 0.000 0.990 1057 V HN 0.531 nan 8.190 nan 0.000 0.474 1058 T N 7.267 121.806 114.554 -0.024 0.000 2.801 1058 T HA 0.384 4.734 4.350 0.000 0.000 0.306 1058 T C -2.333 172.372 174.700 0.008 0.000 1.020 1058 T CA -0.867 61.219 62.100 -0.023 0.000 0.948 1058 T CB 1.199 70.061 68.868 -0.011 0.000 0.962 1058 T HN 0.474 nan 8.240 nan 0.000 0.465 1059 P HA 0.387 nan 4.420 nan 0.000 0.273 1059 P C -0.713 176.645 177.300 0.096 0.000 1.250 1059 P CA -0.563 62.621 63.100 0.140 0.000 0.793 1059 P CB 0.473 32.359 31.700 0.309 0.000 1.011 1060 A N 1.169 124.038 122.820 0.082 0.000 2.327 1060 A HA 0.229 4.549 4.320 0.000 0.000 0.283 1060 A C 0.011 177.571 177.584 -0.041 0.000 1.127 1060 A CA -0.474 51.559 52.037 -0.005 0.000 0.810 1060 A CB -0.379 18.585 19.000 -0.060 0.000 1.066 1060 A HN 0.572 nan 8.150 nan 0.000 0.492 1061 N N 0.920 119.597 118.700 -0.038 0.000 2.868 1061 N HA 0.361 5.101 4.740 0.000 0.000 0.252 1061 N C -1.163 174.298 175.510 -0.081 0.000 1.130 1061 N CA -0.029 53.001 53.050 -0.033 0.000 1.026 1061 N CB 0.934 39.420 38.487 -0.000 0.000 1.335 1061 N HN 0.390 nan 8.380 nan 0.000 0.516 1062 V N 1.562 121.370 119.914 -0.177 0.000 2.733 1062 V HA 0.675 4.795 4.120 0.000 0.000 0.306 1062 V C 0.638 176.626 176.094 -0.177 0.000 1.084 1062 V CA 0.173 62.346 62.300 -0.212 0.000 0.905 1062 V CB 0.942 32.537 31.823 -0.380 0.000 1.010 1062 V HN 0.759 nan 8.190 nan 0.000 0.424 1063 G N 6.261 115.040 108.800 -0.034 0.000 2.594 1063 G HA2 -0.266 3.694 3.960 0.000 0.000 0.297 1063 G HA3 -0.266 3.694 3.960 0.000 0.000 0.297 1063 G C -0.095 174.811 174.900 0.010 0.000 1.273 1063 G CA 0.545 45.655 45.100 0.016 0.000 0.974 1063 G HN 1.246 nan 8.290 nan 0.000 0.552 1064 I N 0.763 121.360 120.570 0.046 0.000 2.312 1064 I HA 0.373 4.543 4.170 0.000 0.000 0.290 1064 I C 0.391 176.547 176.117 0.065 0.000 1.008 1064 I CA -0.722 60.596 61.300 0.031 0.000 1.226 1064 I CB 1.570 39.574 38.000 0.006 0.000 1.371 1064 I HN 0.320 nan 8.210 nan 0.000 0.468 1065 V N 7.705 127.628 119.914 0.016 0.000 2.461 1065 V HA 0.182 4.302 4.120 0.000 0.000 0.275 1065 V C 0.925 176.957 176.094 -0.103 0.000 1.047 1065 V CA -0.280 61.993 62.300 -0.046 0.000 0.955 1065 V CB 1.113 32.863 31.823 -0.122 0.000 0.988 1065 V HN 0.754 nan 8.190 nan 0.000 0.471 1066 K N 2.926 123.266 120.400 -0.100 0.000 2.276 1066 K HA 0.458 4.778 4.320 0.000 0.000 0.198 1066 K C 0.808 177.314 176.600 -0.156 0.000 1.052 1066 K CA 0.722 56.990 56.287 -0.033 0.000 0.984 1066 K CB 0.766 33.331 32.500 0.108 0.000 0.836 1066 K HN 0.899 nan 8.250 nan 0.000 0.490 1067 G N 0.219 108.709 108.800 -0.517 0.000 2.320 1067 G HA2 0.390 4.350 3.960 0.000 0.000 0.296 1067 G HA3 0.390 4.350 3.960 0.000 0.000 0.296 1067 G C -1.975 172.055 174.900 -1.449 0.000 1.306 1067 G CA -0.994 43.437 45.100 -1.114 0.000 0.836 1067 G HN -0.002 nan 8.290 nan 0.000 0.517 1068 F N -0.456 118.889 119.950 -1.008 0.000 2.547 1068 F HA 0.642 5.169 4.527 0.000 0.000 0.316 1068 F C -0.227 175.433 175.800 -0.234 0.000 1.121 1068 F CA -0.805 56.949 58.000 -0.410 0.000 0.911 1068 F CB 2.397 41.258 39.000 -0.232 0.000 1.179 1068 F HN 0.413 nan 8.300 nan 0.000 0.443 1069 L N 4.615 126.090 121.223 0.420 0.000 2.265 1069 L HA 0.699 5.039 4.340 0.000 0.000 0.289 1069 L C -1.034 176.171 176.870 0.559 0.000 1.033 1069 L CA -0.479 54.746 54.840 0.642 0.000 0.814 1069 L CB 1.079 43.567 42.059 0.716 0.000 1.203 1069 L HN 0.401 nan 8.230 nan 0.000 0.423 1070 V N 5.644 125.851 119.914 0.488 0.000 2.347 1070 V HA 0.400 4.520 4.120 0.000 0.000 0.280 1070 V C 0.040 176.325 176.094 0.319 0.000 1.021 1070 V CA -0.789 61.738 62.300 0.378 0.000 0.847 1070 V CB 1.183 33.160 31.823 0.257 0.000 0.990 1070 V HN 0.713 nan 8.190 nan 0.000 0.444 1071 K N 4.286 124.790 120.400 0.174 0.000 2.211 1071 K HA 0.702 5.022 4.320 0.000 0.000 0.275 1071 K C -1.386 175.210 176.600 -0.007 0.000 1.024 1071 K CA -0.387 55.748 56.287 -0.254 0.000 0.887 1071 K CB 1.590 33.950 32.500 -0.233 0.000 1.084 1071 K HN 0.504 nan 8.250 nan 0.000 0.463 1072 V N 3.536 123.430 119.914 -0.032 0.000 2.531 1072 V HA 0.360 4.480 4.120 0.000 0.000 0.301 1072 V C -0.373 175.750 176.094 0.048 0.000 1.034 1072 V CA -0.834 61.548 62.300 0.136 0.000 0.865 1072 V CB 1.667 33.698 31.823 0.346 0.000 0.995 1072 V HN 1.000 nan 8.190 nan 0.000 0.424 1073 T N 1.322 115.894 114.554 0.029 0.000 2.908 1073 T HA 0.957 5.307 4.350 0.000 0.000 0.290 1073 T C -0.489 174.226 174.700 0.025 0.000 1.034 1073 T CA -0.542 61.574 62.100 0.027 0.000 1.010 1073 T CB 2.271 71.143 68.868 0.005 0.000 1.068 1073 T HN 1.353 nan 8.240 nan 0.000 0.481 1074 A N 0.827 123.696 122.820 0.082 0.000 2.594 1074 A HA 0.908 5.228 4.320 0.000 0.000 0.295 1074 A C -0.951 176.722 177.584 0.150 0.000 1.071 1074 A CA -0.807 51.310 52.037 0.133 0.000 0.685 1074 A CB 1.271 20.454 19.000 0.305 0.000 1.285 1074 A HN 1.656 nan 8.150 nan 0.000 0.405 1075 A N 1.371 124.282 122.820 0.152 0.000 2.318 1075 A HA 0.765 5.085 4.320 0.000 0.000 0.317 1075 A C -0.832 176.817 177.584 0.108 0.000 1.159 1075 A CA -0.288 51.807 52.037 0.096 0.000 0.799 1075 A CB 0.367 19.394 19.000 0.046 0.000 1.194 1075 A HN 0.747 nan 8.150 nan 0.000 0.479 1076 I N 2.102 122.681 120.570 0.015 0.000 2.406 1076 I HA 0.339 4.509 4.170 0.000 0.000 0.290 1076 I C -0.260 175.759 176.117 -0.163 0.000 0.999 1076 I CA -0.226 61.009 61.300 -0.110 0.000 1.124 1076 I CB 2.407 40.320 38.000 -0.145 0.000 1.289 1076 I HN 0.559 nan 8.210 nan 0.000 0.441 1077 T N 4.463 118.904 114.554 -0.188 0.000 2.771 1077 T HA 0.214 4.564 4.350 0.000 0.000 0.281 1077 T C -0.053 174.490 174.700 -0.261 0.000 0.982 1077 T CA -0.536 61.456 62.100 -0.180 0.000 0.978 1077 T CB 0.801 69.602 68.868 -0.112 0.000 0.930 1077 T HN 0.384 nan 8.240 nan 0.000 0.447 1078 N N 2.955 121.515 118.700 -0.235 0.000 2.521 1078 N HA 0.073 4.813 4.740 0.000 0.000 0.236 1078 N C 0.650 176.080 175.510 -0.133 0.000 1.067 1078 N CA -0.246 52.666 53.050 -0.230 0.000 0.939 1078 N CB 0.191 38.554 38.487 -0.206 0.000 1.201 1078 N HN 0.666 nan 8.380 nan 0.000 0.511 1079 N N 2.276 120.901 118.700 -0.127 0.000 2.383 1079 N HA -0.109 4.631 4.740 0.000 0.000 0.192 1079 N C -0.194 175.283 175.510 -0.055 0.000 1.141 1079 N CA -0.205 52.795 53.050 -0.084 0.000 0.851 1079 N CB 0.104 38.538 38.487 -0.089 0.000 0.976 1079 N HN 0.566 nan 8.380 nan 0.000 0.465 1080 H N -0.310 118.692 119.070 -0.113 0.000 2.852 1080 H HA 0.169 4.725 4.556 0.000 0.000 0.362 1080 H C 1.241 176.529 175.328 -0.066 0.000 1.122 1080 H CA 0.738 56.735 56.048 -0.085 0.000 1.419 1080 H CB 1.347 31.058 29.762 -0.086 0.000 1.401 1080 H HN 0.177 nan 8.280 nan 0.000 0.609 1081 A N 2.402 125.016 122.820 -0.344 0.000 1.898 1081 A HA -0.112 4.208 4.320 0.000 0.000 0.216 1081 A C 1.880 179.492 177.584 0.047 0.000 1.181 1081 A CA 2.078 54.034 52.037 -0.136 0.000 0.620 1081 A CB -0.465 18.412 19.000 -0.204 0.000 0.819 1081 A HN 0.870 nan 8.150 nan 0.000 0.442 1082 T N -4.829 109.888 114.554 0.272 0.000 3.046 1082 T HA 0.206 4.556 4.350 0.000 0.000 0.270 1082 T C -0.074 174.703 174.700 0.128 0.000 0.920 1082 T CA -0.296 61.910 62.100 0.177 0.000 0.874 1082 T CB 0.204 69.138 68.868 0.110 0.000 1.214 1082 T HN 0.176 nan 8.240 nan 0.000 0.536 1083 E N 1.603 121.866 120.200 0.105 0.000 2.204 1083 E HA 0.755 5.105 4.350 0.000 0.000 0.276 1083 E C -0.249 176.238 176.600 -0.188 0.000 0.974 1083 E CA -0.448 55.821 56.400 -0.219 0.000 0.815 1083 E CB 2.014 31.361 29.700 -0.588 0.000 1.119 1083 E HN 0.517 nan 8.360 nan 0.000 0.393 1084 A N 1.915 124.660 122.820 -0.125 0.000 2.247 1084 A HA 0.729 5.049 4.320 0.000 0.000 0.313 1084 A C -0.116 177.413 177.584 -0.093 0.000 1.109 1084 A CA -0.542 51.437 52.037 -0.096 0.000 0.890 1084 A CB 0.786 19.753 19.000 -0.054 0.000 1.239 1084 A HN 0.399 nan 8.150 nan 0.000 0.506 1085 V N -4.086 115.791 119.914 -0.061 0.000 3.078 1085 V HA 0.950 5.070 4.120 0.000 0.000 0.311 1085 V C -0.246 175.930 176.094 0.136 0.000 1.138 1085 V CA -0.329 61.984 62.300 0.022 0.000 1.007 1085 V CB 1.124 32.962 31.823 0.025 0.000 1.045 1085 V HN 1.913 nan 8.190 nan 0.000 0.432 1086 A N 2.448 125.405 122.820 0.228 0.000 2.454 1086 A HA 0.852 5.172 4.320 0.000 0.000 0.302 1086 A C -0.561 177.151 177.584 0.214 0.000 1.079 1086 A CA -0.994 51.194 52.037 0.253 0.000 0.731 1086 A CB 1.467 20.529 19.000 0.104 0.000 1.299 1086 A HN 1.106 nan 8.150 nan 0.000 0.413 1087 L N 1.882 123.120 121.223 0.024 0.000 2.543 1087 L HA 0.123 4.463 4.340 0.000 0.000 0.285 1087 L C 1.489 178.254 176.870 -0.175 0.000 1.236 1087 L CA 0.163 54.807 54.840 -0.325 0.000 0.871 1087 L CB 0.373 42.274 42.059 -0.263 0.000 1.121 1087 L HN 0.997 nan 8.230 nan 0.000 0.501 1088 T N -1.878 112.543 114.554 -0.222 0.000 2.770 1088 T HA 0.084 4.434 4.350 0.000 0.000 0.281 1088 T C 0.758 175.361 174.700 -0.161 0.000 0.981 1088 T CA -0.787 61.199 62.100 -0.190 0.000 0.955 1088 T CB 0.784 69.505 68.868 -0.246 0.000 1.060 1088 T HN 0.504 nan 8.240 nan 0.000 0.531 1089 D N -0.221 120.055 120.400 -0.207 0.000 2.178 1089 D HA -0.017 4.623 4.640 0.000 0.000 0.201 1089 D C 1.525 177.949 176.300 0.208 0.000 0.980 1089 D CA 1.066 55.032 54.000 -0.057 0.000 0.842 1089 D CB -0.227 40.489 40.800 -0.139 0.000 0.948 1089 D HN 0.472 nan 8.370 nan 0.000 0.472 1090 F N 0.186 120.047 119.950 -0.149 0.000 2.473 1090 F HA 0.246 4.773 4.527 0.000 0.000 0.294 1090 F C 2.185 177.917 175.800 -0.114 0.000 1.103 1090 F CA 0.408 58.354 58.000 -0.090 0.000 1.442 1090 F CB -0.945 37.972 39.000 -0.137 0.000 1.097 1090 F HN -0.028 nan 8.300 nan 0.000 0.547 1091 G N 2.683 111.490 108.800 0.011 0.000 2.672 1091 G HA2 -0.339 3.621 3.960 0.000 0.000 0.324 1091 G HA3 -0.339 3.621 3.960 0.000 0.000 0.324 1091 G C -1.117 173.747 174.900 -0.060 0.000 1.286 1091 G CA 0.559 45.588 45.100 -0.119 0.000 1.004 1091 G HN 0.209 nan 8.290 nan 0.000 0.548 1092 P HA 0.039 nan 4.420 nan 0.000 0.228 1092 P C 1.603 178.906 177.300 0.005 0.000 1.151 1092 P CA 2.272 65.374 63.100 0.004 0.000 0.770 1092 P CB -0.378 31.319 31.700 -0.006 0.000 0.786 1093 A N 0.057 122.838 122.820 -0.064 0.000 2.172 1093 A HA -0.095 4.225 4.320 0.000 0.000 0.216 1093 A C 1.839 179.548 177.584 0.209 0.000 1.154 1093 A CA 0.998 52.990 52.037 -0.075 0.000 0.701 1093 A CB -0.972 17.868 19.000 -0.266 0.000 0.789 1093 A HN 0.125 nan 8.150 nan 0.000 0.465 1094 N N -0.385 118.437 118.700 0.204 0.000 2.268 1094 N HA 0.185 4.925 4.740 0.000 0.000 0.204 1094 N C 1.052 176.701 175.510 0.231 0.000 1.124 1094 N CA 0.076 53.271 53.050 0.242 0.000 0.838 1094 N CB 0.107 38.717 38.487 0.205 0.000 0.994 1094 N HN 0.467 nan 8.380 nan 0.000 0.489 1095 L N -0.253 121.140 121.223 0.284 0.000 2.201 1095 L HA -0.003 4.337 4.340 0.000 0.000 0.212 1095 L C 0.300 177.345 176.870 0.291 0.000 1.105 1095 L CA 0.784 55.820 54.840 0.327 0.000 0.775 1095 L CB 0.229 42.503 42.059 0.359 0.000 0.913 1095 L HN -0.120 nan 8.230 nan 0.000 0.440 1096 V N -0.104 119.905 119.914 0.158 0.000 2.384 1096 V HA 0.131 4.251 4.120 0.000 0.000 0.287 1096 V C 0.530 176.527 176.094 -0.161 0.000 1.020 1096 V CA -0.551 61.611 62.300 -0.231 0.000 0.850 1096 V CB 1.711 33.081 31.823 -0.756 0.000 0.987 1096 V HN 0.161 nan 8.190 nan 0.000 0.436 1097 Q N 3.502 123.219 119.800 -0.139 0.000 2.123 1097 Q HA 0.196 4.536 4.340 0.000 0.000 0.196 1097 Q C 0.468 176.375 176.000 -0.156 0.000 0.958 1097 Q CA 1.017 56.782 55.803 -0.064 0.000 0.841 1097 Q CB 0.465 29.199 28.738 -0.006 0.000 0.915 1097 Q HN 0.627 nan 8.270 nan 0.000 0.455 1098 R N -1.053 119.305 120.500 -0.237 0.000 2.739 1098 R HA 0.632 4.972 4.340 0.000 0.000 0.271 1098 R C -1.376 174.736 176.300 -0.314 0.000 1.010 1098 R CA -0.520 55.431 56.100 -0.249 0.000 0.897 1098 R CB 2.249 32.451 30.300 -0.163 0.000 1.236 1098 R HN -0.187 nan 8.270 nan 0.000 0.466 1099 V N 2.559 122.305 119.914 -0.280 0.000 2.841 1099 V HA 0.621 4.741 4.120 0.000 0.000 0.310 1099 V C -0.768 175.213 176.094 -0.189 0.000 1.090 1099 V CA -0.680 61.456 62.300 -0.274 0.000 0.930 1099 V CB 2.331 33.967 31.823 -0.312 0.000 1.014 1099 V HN 0.566 nan 8.190 nan 0.000 0.425 1100 I N 3.673 124.151 120.570 -0.153 0.000 2.607 1100 I HA 0.451 4.621 4.170 0.000 0.000 0.290 1100 I C -1.743 174.322 176.117 -0.086 0.000 1.129 1100 I CA -0.702 60.519 61.300 -0.132 0.000 1.042 1100 I CB 2.373 40.306 38.000 -0.112 0.000 1.242 1100 I HN 0.688 nan 8.210 nan 0.000 0.421 1101 Y N 6.253 126.408 120.300 -0.241 0.000 2.376 1101 Y HA 0.594 5.144 4.550 0.000 0.000 0.340 1101 Y C -1.711 174.064 175.900 -0.208 0.000 0.965 1101 Y CA -0.699 57.294 58.100 -0.178 0.000 1.078 1101 Y CB 1.289 39.651 38.460 -0.163 0.000 1.193 1101 Y HN 0.361 nan 8.280 nan 0.000 0.452 1102 Y N 4.657 124.448 120.300 -0.848 0.000 2.364 1102 Y HA 0.294 4.844 4.550 0.000 0.000 0.340 1102 Y C -0.104 175.258 175.900 -0.897 0.000 0.975 1102 Y CA -1.030 56.730 58.100 -0.567 0.000 1.089 1102 Y CB 1.167 39.440 38.460 -0.311 0.000 1.192 1102 Y HN 0.716 nan 8.280 nan 0.000 0.454 1103 D N 2.697 122.949 120.400 -0.246 0.000 2.451 1103 D HA 0.237 4.877 4.640 0.000 0.000 0.259 1103 D C -2.207 174.094 176.300 0.001 0.000 1.201 1103 D CA -2.287 51.667 54.000 -0.078 0.000 1.028 1103 D CB 0.384 41.325 40.800 0.236 0.000 1.095 1103 D HN 0.169 nan 8.370 nan 0.000 0.539 1104 P HA -0.062 nan 4.420 nan 0.000 0.221 1104 P C -0.041 177.284 177.300 0.043 0.000 1.145 1104 P CA 1.016 64.137 63.100 0.036 0.000 0.795 1104 P CB 0.103 31.835 31.700 0.054 0.000 0.775 1105 D N -1.679 118.765 120.400 0.073 0.000 2.358 1105 D HA 0.034 4.674 4.640 0.000 0.000 0.224 1105 D C 0.463 176.808 176.300 0.075 0.000 1.123 1105 D CA 0.049 54.091 54.000 0.070 0.000 0.833 1105 D CB -1.063 39.788 40.800 0.085 0.000 0.946 1105 D HN 0.208 nan 8.370 nan 0.000 0.505 1106 N N 0.639 119.385 118.700 0.076 0.000 2.800 1106 N HA -0.261 4.479 4.740 0.000 0.000 0.250 1106 N C -0.163 175.462 175.510 0.191 0.000 1.078 1106 N CA 0.189 53.303 53.050 0.106 0.000 0.804 1106 N CB -0.423 38.093 38.487 0.049 0.000 1.135 1106 N HN 0.158 nan 8.380 nan 0.000 0.565 1107 Q N 1.615 121.519 119.800 0.173 0.000 2.256 1107 Q HA 0.355 4.695 4.340 0.000 0.000 0.254 1107 Q C -0.517 175.575 176.000 0.154 0.000 0.916 1107 Q CA -0.245 55.645 55.803 0.145 0.000 0.932 1107 Q CB 0.878 29.678 28.738 0.104 0.000 1.207 1107 Q HN 0.182 nan 8.270 nan 0.000 0.426 1108 R N 2.950 123.452 120.500 0.004 0.000 2.441 1108 R HA 0.283 4.623 4.340 0.000 0.000 0.284 1108 R C 0.260 176.569 176.300 0.014 0.000 1.070 1108 R CA -0.141 55.863 56.100 -0.161 0.000 1.047 1108 R CB 0.688 30.776 30.300 -0.354 0.000 1.016 1108 R HN 0.821 nan 8.270 nan 0.000 0.477 1109 H N 0.198 119.231 119.070 -0.062 0.000 5.067 1109 H HA 0.147 4.703 4.556 0.000 0.000 0.118 1109 H C 0.076 175.325 175.328 -0.132 0.000 1.355 1109 H CA -0.366 55.661 56.048 -0.035 0.000 0.741 1109 H CB 0.278 30.088 29.762 0.080 0.000 1.615 1109 H HN 0.380 nan 8.280 nan 0.000 0.266 1110 T N 1.533 116.092 114.554 0.009 0.000 2.916 1110 T HA 0.089 4.439 4.350 0.000 0.000 0.303 1110 T C 0.111 174.747 174.700 -0.107 0.000 1.025 1110 T CA 0.465 62.492 62.100 -0.122 0.000 1.142 1110 T CB 0.318 69.076 68.868 -0.184 0.000 0.947 1110 T HN 0.394 nan 8.240 nan 0.000 0.544 1111 E N 2.206 122.347 120.200 -0.097 0.000 2.642 1111 E HA 0.431 4.781 4.350 0.000 0.000 0.284 1111 E C -0.778 175.782 176.600 -0.066 0.000 1.039 1111 E CA -0.474 55.870 56.400 -0.093 0.000 0.777 1111 E CB 0.910 30.565 29.700 -0.076 0.000 1.473 1111 E HN 0.589 nan 8.360 nan 0.000 0.388 1112 T N 0.978 115.466 114.554 -0.109 0.000 2.671 1112 T HA 0.463 4.813 4.350 0.000 0.000 0.300 1112 T C -0.911 173.659 174.700 -0.217 0.000 1.238 1112 T CA -0.195 61.836 62.100 -0.114 0.000 1.020 1112 T CB 1.052 69.924 68.868 0.006 0.000 1.503 1112 T HN 0.419 nan 8.240 nan 0.000 0.497 1113 S N -0.045 115.454 115.700 -0.334 0.000 2.617 1113 S HA 0.489 4.959 4.470 0.000 0.000 0.269 1113 S C 1.620 175.958 174.600 -0.437 0.000 1.292 1113 S CA 0.052 57.978 58.200 -0.457 0.000 1.010 1113 S CB 0.861 63.550 63.200 -0.852 0.000 0.944 1113 S HN 1.070 nan 8.310 nan 0.000 0.536 1114 G N 1.080 109.680 108.800 -0.334 0.000 2.418 1114 G HA2 -0.171 3.789 3.960 0.000 0.000 0.217 1114 G HA3 -0.171 3.789 3.960 0.000 0.000 0.217 1114 G C 1.321 176.206 174.900 -0.027 0.000 1.158 1114 G CA 0.753 45.705 45.100 -0.246 0.000 0.771 1114 G HN 0.960 nan 8.290 nan 0.000 0.545 1115 W N 0.193 121.446 121.300 -0.078 0.000 2.388 1115 W HA -0.023 4.637 4.660 0.000 0.000 0.294 1115 W C 1.785 177.990 176.519 -0.524 0.000 1.212 1115 W CA 0.835 57.945 57.345 -0.392 0.000 1.271 1115 W CB -1.031 28.163 29.460 -0.443 0.000 1.126 1115 W HN 0.416 nan 8.180 nan 0.000 0.535 1116 H N 1.267 119.982 119.070 -0.592 0.000 2.357 1116 H HA -0.180 4.376 4.556 0.000 0.000 0.301 1116 H C 2.351 177.577 175.328 -0.170 0.000 1.082 1116 H CA 1.787 57.628 56.048 -0.345 0.000 1.342 1116 H CB -0.123 29.274 29.762 -0.608 0.000 1.389 1116 H HN 0.119 nan 8.280 nan 0.000 0.511 1117 L N 1.059 122.058 121.223 -0.372 0.000 2.042 1117 L HA -0.216 4.124 4.340 0.000 0.000 0.210 1117 L C 2.588 179.344 176.870 -0.190 0.000 1.076 1117 L CA 2.453 57.103 54.840 -0.316 0.000 0.749 1117 L CB -1.109 40.834 42.059 -0.193 0.000 0.893 1117 L HN 0.374 nan 8.230 nan 0.000 0.432 1118 H N -1.036 117.939 119.070 -0.158 0.000 2.353 1118 H HA -0.186 4.370 4.556 0.000 0.000 0.300 1118 H C 1.929 177.181 175.328 -0.127 0.000 1.090 1118 H CA 2.229 58.166 56.048 -0.185 0.000 1.327 1118 H CB -0.587 29.038 29.762 -0.227 0.000 1.383 1118 H HN 0.472 nan 8.280 nan 0.000 0.508 1119 F N -0.730 119.042 119.950 -0.296 0.000 2.216 1119 F HA -0.162 4.365 4.527 0.000 0.000 0.300 1119 F C 2.538 178.158 175.800 -0.300 0.000 1.085 1119 F CA 0.560 58.375 58.000 -0.309 0.000 1.326 1119 F CB -0.055 38.924 39.000 -0.036 0.000 1.027 1119 F HN 0.087 nan 8.300 nan 0.000 0.497 1120 V N 0.254 120.104 119.914 -0.106 0.000 2.427 1120 V HA -0.286 3.834 4.120 0.000 0.000 0.248 1120 V C 1.668 177.653 176.094 -0.181 0.000 1.051 1120 V CA 1.954 64.180 62.300 -0.123 0.000 1.048 1120 V CB -0.771 30.933 31.823 -0.199 0.000 0.666 1120 V HN 0.376 nan 8.190 nan 0.000 0.456 1121 N N -0.303 118.209 118.700 -0.313 0.000 2.104 1121 N HA -0.190 4.550 4.740 0.000 0.000 0.190 1121 N C 1.835 177.174 175.510 -0.284 0.000 1.024 1121 N CA 1.830 54.583 53.050 -0.494 0.000 0.853 1121 N CB -0.200 37.600 38.487 -1.145 0.000 1.008 1121 N HN 0.418 nan 8.380 nan 0.000 0.424 1122 T N 0.575 114.974 114.554 -0.259 0.000 2.708 1122 T HA -0.090 4.260 4.350 0.000 0.000 0.266 1122 T C 2.058 176.677 174.700 -0.134 0.000 1.037 1122 T CA 1.191 63.222 62.100 -0.115 0.000 1.146 1122 T CB -0.334 68.435 68.868 -0.165 0.000 0.865 1122 T HN 0.331 nan 8.240 nan 0.000 0.435 1123 A N 1.898 124.587 122.820 -0.217 0.000 1.908 1123 A HA -0.154 4.166 4.320 0.000 0.000 0.218 1123 A C 2.277 179.800 177.584 -0.102 0.000 1.181 1123 A CA 1.396 53.272 52.037 -0.269 0.000 0.627 1123 A CB -0.332 18.438 19.000 -0.382 0.000 0.818 1123 A HN 0.290 nan 8.150 nan 0.000 0.445 1124 K N -0.631 119.724 120.400 -0.075 0.000 2.155 1124 K HA -0.139 4.181 4.320 0.000 0.000 0.203 1124 K C 2.146 178.711 176.600 -0.058 0.000 1.052 1124 K CA 1.444 57.690 56.287 -0.068 0.000 0.948 1124 K CB -0.237 32.199 32.500 -0.107 0.000 0.728 1124 K HN 0.766 nan 8.250 nan 0.000 0.448 1125 Q N -0.062 119.723 119.800 -0.024 0.000 2.187 1125 Q HA -0.077 4.263 4.340 0.000 0.000 0.199 1125 Q C 0.651 176.636 176.000 -0.025 0.000 0.957 1125 Q CA 1.310 57.112 55.803 -0.001 0.000 0.857 1125 Q CB 0.242 29.033 28.738 0.089 0.000 0.929 1125 Q HN 0.441 nan 8.270 nan 0.000 0.453 1126 G N -0.618 108.162 108.800 -0.033 0.000 2.141 1126 G HA2 -0.162 3.798 3.960 0.000 0.000 0.231 1126 G HA3 -0.162 3.798 3.960 0.000 0.000 0.231 1126 G C -0.061 174.819 174.900 -0.034 0.000 0.984 1126 G CA 0.187 45.266 45.100 -0.035 0.000 0.660 1126 G HN 0.826 nan 8.290 nan 0.000 0.525 1127 A N -1.281 121.523 122.820 -0.027 0.000 2.586 1127 A HA 0.794 5.114 4.320 0.000 0.000 0.291 1127 A C -3.143 174.448 177.584 0.012 0.000 1.062 1127 A CA -0.759 51.268 52.037 -0.017 0.000 0.666 1127 A CB 0.702 19.689 19.000 -0.023 0.000 1.281 1127 A HN 0.152 nan 8.150 nan 0.000 0.421 1128 P HA 0.119 nan 4.420 nan 0.000 0.258 1128 P C -0.350 177.031 177.300 0.134 0.000 1.172 1128 P CA 0.549 63.704 63.100 0.091 0.000 0.762 1128 P CB -0.158 31.595 31.700 0.088 0.000 0.764 1129 F N 5.766 125.726 119.950 0.016 0.000 2.604 1129 F HA -0.066 4.461 4.527 0.000 0.000 0.393 1129 F C 1.175 176.994 175.800 0.032 0.000 1.043 1129 F CA 0.378 58.389 58.000 0.018 0.000 1.227 1129 F CB -0.403 38.622 39.000 0.042 0.000 1.016 1129 F HN 0.275 nan 8.300 nan 0.000 0.556 1130 L N 3.583 124.436 121.223 -0.615 0.000 3.976 1130 L HA -0.323 4.017 4.340 0.000 0.000 0.418 1130 L C 0.624 177.343 176.870 -0.252 0.000 1.177 1130 L CA 0.557 55.053 54.840 -0.573 0.000 0.968 1130 L CB -2.344 39.219 42.059 -0.826 0.000 1.933 1130 L HN 0.734 nan 8.230 nan 0.000 0.976 1131 S N -1.829 113.791 115.700 -0.134 0.000 2.645 1131 S HA 0.530 5.000 4.470 0.000 0.000 0.266 1131 S C 0.318 174.874 174.600 -0.073 0.000 1.258 1131 S CA -0.026 58.136 58.200 -0.063 0.000 0.990 1131 S CB 2.192 65.386 63.200 -0.010 0.000 0.967 1131 S HN 0.278 nan 8.310 nan 0.000 0.556 1132 S N 1.551 117.225 115.700 -0.044 0.000 2.498 1132 S HA 0.403 4.873 4.470 0.000 0.000 0.324 1132 S C -0.357 174.228 174.600 -0.025 0.000 1.071 1132 S CA -0.836 57.342 58.200 -0.037 0.000 1.113 1132 S CB -0.044 63.144 63.200 -0.019 0.000 0.976 1132 S HN 0.786 nan 8.310 nan 0.000 0.462 1133 M N 5.976 125.554 119.600 -0.036 0.000 2.238 1133 M HA 0.382 4.862 4.480 0.000 0.000 0.347 1133 M C -1.089 175.198 176.300 -0.021 0.000 1.173 1133 M CA -0.229 55.053 55.300 -0.030 0.000 1.147 1133 M CB 0.638 33.210 32.600 -0.047 0.000 1.547 1133 M HN 0.423 nan 8.290 nan 0.000 0.455 1134 V N 4.652 124.559 119.914 -0.011 0.000 2.465 1134 V HA 0.502 4.622 4.120 0.000 0.000 0.279 1134 V C 0.425 176.514 176.094 -0.008 0.000 1.045 1134 V CA -0.243 62.056 62.300 -0.002 0.000 0.938 1134 V CB 1.068 32.894 31.823 0.005 0.000 0.986 1134 V HN 1.022 nan 8.190 nan 0.000 0.467 1135 T N -0.226 114.327 114.554 -0.003 0.000 2.838 1135 T HA 0.347 4.697 4.350 0.000 0.000 0.292 1135 T C 0.261 174.968 174.700 0.010 0.000 1.113 1135 T CA -0.276 61.819 62.100 -0.008 0.000 1.008 1135 T CB 1.903 70.752 68.868 -0.032 0.000 1.259 1135 T HN 0.632 nan 8.240 nan 0.000 0.520 1136 D N -0.062 120.343 120.400 0.008 0.000 2.336 1136 D HA 0.074 4.714 4.640 0.000 0.000 0.229 1136 D C 0.657 176.977 176.300 0.032 0.000 1.061 1136 D CA -0.177 53.833 54.000 0.017 0.000 0.875 1136 D CB -0.381 40.426 40.800 0.010 0.000 0.904 1136 D HN 0.389 nan 8.370 nan 0.000 0.525 1137 S N 1.791 117.520 115.700 0.048 0.000 2.544 1137 S HA 0.080 4.550 4.470 0.000 0.000 0.290 1137 S C -1.047 173.608 174.600 0.092 0.000 1.276 1137 S CA -0.929 57.325 58.200 0.089 0.000 1.075 1137 S CB 0.995 64.297 63.200 0.169 0.000 0.849 1137 S HN 0.100 nan 8.310 nan 0.000 0.494 1138 P HA 0.066 nan 4.420 nan 0.000 0.225 1138 P C 0.115 177.432 177.300 0.028 0.000 1.156 1138 P CA 0.325 63.449 63.100 0.040 0.000 0.787 1138 P CB -0.040 31.675 31.700 0.026 0.000 0.802 1139 I N 1.170 121.770 120.570 0.049 0.000 2.648 1139 I HA -0.020 4.150 4.170 0.000 0.000 0.284 1139 I C 1.323 177.381 176.117 -0.097 0.000 1.153 1139 I CA 0.276 61.544 61.300 -0.053 0.000 1.426 1139 I CB 0.179 38.139 38.000 -0.068 0.000 1.381 1139 I HN -0.269 nan 8.210 nan 0.000 0.571 1140 K N 6.638 126.933 120.400 -0.175 0.000 3.233 1140 K HA 0.083 4.403 4.320 0.000 0.000 0.283 1140 K C -0.705 175.806 176.600 -0.148 0.000 1.209 1140 K CA -0.004 56.210 56.287 -0.121 0.000 1.197 1140 K CB -0.569 31.880 32.500 -0.086 0.000 1.431 1140 K HN 0.388 nan 8.250 nan 0.000 0.326 1141 Y N 0.431 120.721 120.300 -0.016 0.000 2.296 1141 Y HA 0.302 4.852 4.550 0.000 0.000 0.343 1141 Y C 1.548 177.436 175.900 -0.019 0.000 1.292 1141 Y CA 0.574 58.662 58.100 -0.021 0.000 1.490 1141 Y CB 0.908 39.354 38.460 -0.024 0.000 1.359 1141 Y HN 0.447 nan 8.280 nan 0.000 0.599 1142 G N 0.157 109.053 108.800 0.159 0.000 2.332 1142 G HA2 -0.043 3.917 3.960 0.000 0.000 0.265 1142 G HA3 -0.043 3.917 3.960 0.000 0.000 0.265 1142 G C -1.791 173.135 174.900 0.043 0.000 1.329 1142 G CA -0.860 44.286 45.100 0.078 0.000 0.949 1142 G HN 0.526 nan 8.290 nan 0.000 0.476 1143 D N 0.522 120.938 120.400 0.026 0.000 2.508 1143 D HA 0.444 5.084 4.640 0.000 0.000 0.224 1143 D C 1.373 177.682 176.300 0.015 0.000 1.171 1143 D CA 0.095 54.104 54.000 0.016 0.000 1.006 1143 D CB 0.697 41.506 40.800 0.015 0.000 1.073 1143 D HN 0.244 nan 8.370 nan 0.000 0.513 1144 V N 2.838 122.760 119.914 0.012 0.000 2.575 1144 V HA -0.031 4.089 4.120 0.000 0.000 0.242 1144 V C 1.879 177.977 176.094 0.007 0.000 1.045 1144 V CA 0.780 63.084 62.300 0.006 0.000 1.065 1144 V CB -0.123 31.700 31.823 0.000 0.000 0.717 1144 V HN 0.555 nan 8.190 nan 0.000 0.467 1145 M N -0.410 119.192 119.600 0.005 0.000 2.371 1145 M HA 0.283 4.763 4.480 0.000 0.000 0.246 1145 M C 0.370 176.685 176.300 0.024 0.000 1.103 1145 M CA 0.092 55.398 55.300 0.010 0.000 1.010 1145 M CB -0.655 31.942 32.600 -0.005 0.000 1.457 1145 M HN 0.387 nan 8.290 nan 0.000 0.486 1146 N N 1.144 119.857 118.700 0.023 0.000 2.699 1146 N HA -0.142 4.598 4.740 0.000 0.000 0.256 1146 N C 1.021 176.569 175.510 0.063 0.000 0.993 1146 N CA 0.263 53.336 53.050 0.039 0.000 0.759 1146 N CB -1.234 37.282 38.487 0.047 0.000 0.906 1146 N HN 0.155 nan 8.380 nan 0.000 0.541 1147 V N -0.195 119.738 119.914 0.033 0.000 2.287 1147 V HA -0.108 4.012 4.120 0.000 0.000 0.248 1147 V C 1.409 177.599 176.094 0.161 0.000 1.053 1147 V CA 1.557 63.886 62.300 0.049 0.000 1.027 1147 V CB 0.022 31.763 31.823 -0.137 0.000 0.646 1147 V HN 0.410 nan 8.190 nan 0.000 0.447 1148 I N 0.422 121.042 120.570 0.082 0.000 2.410 1148 I HA 0.485 4.655 4.170 0.000 0.000 0.286 1148 I C -1.141 175.012 176.117 0.059 0.000 1.009 1148 I CA -0.305 61.053 61.300 0.097 0.000 1.111 1148 I CB 1.760 39.796 38.000 0.061 0.000 1.262 1148 I HN 0.223 nan 8.210 nan 0.000 0.443 1149 D N 5.445 125.885 120.400 0.066 0.000 2.717 1149 D HA 0.802 5.442 4.640 0.000 0.000 0.223 1149 D C -1.612 174.729 176.300 0.070 0.000 1.240 1149 D CA -0.303 53.732 54.000 0.060 0.000 0.801 1149 D CB 2.316 43.155 40.800 0.065 0.000 1.556 1149 D HN 0.680 nan 8.370 nan 0.000 0.462 1150 A N 2.623 125.486 122.820 0.072 0.000 2.555 1150 A HA 0.631 4.951 4.320 0.000 0.000 0.297 1150 A C -2.847 174.814 177.584 0.127 0.000 1.060 1150 A CA -1.206 50.897 52.037 0.110 0.000 0.710 1150 A CB 1.156 20.203 19.000 0.079 0.000 1.282 1150 A HN 0.433 nan 8.150 nan 0.000 0.399 1151 P HA 0.337 nan 4.420 nan 0.000 0.268 1151 P C 1.074 178.504 177.300 0.215 0.000 1.204 1151 P CA 0.534 63.732 63.100 0.163 0.000 0.768 1151 P CB 1.115 32.897 31.700 0.136 0.000 0.842 1152 A N 3.033 125.935 122.820 0.136 0.000 1.978 1152 A HA -0.021 4.299 4.320 0.000 0.000 0.220 1152 A C 1.006 178.706 177.584 0.193 0.000 1.170 1152 A CA 1.995 54.105 52.037 0.121 0.000 0.636 1152 A CB -0.902 18.140 19.000 0.071 0.000 0.810 1152 A HN 0.643 nan 8.150 nan 0.000 0.448 1153 T N -3.856 110.804 114.554 0.176 0.000 2.883 1153 T HA 0.676 5.026 4.350 0.000 0.000 0.301 1153 T C -0.873 173.848 174.700 0.035 0.000 1.158 1153 T CA -0.621 61.565 62.100 0.144 0.000 1.007 1153 T CB 1.493 70.400 68.868 0.066 0.000 1.186 1153 T HN 0.167 nan 8.240 nan 0.000 0.499 1154 I N 1.739 122.252 120.570 -0.096 0.000 2.439 1154 I HA 0.571 4.741 4.170 0.000 0.000 0.283 1154 I C 0.618 176.654 176.117 -0.135 0.000 1.023 1154 I CA -1.105 60.084 61.300 -0.185 0.000 1.100 1154 I CB 1.439 39.192 38.000 -0.412 0.000 1.238 1154 I HN 1.033 nan 8.210 nan 0.000 0.445 1155 A N 4.726 127.496 122.820 -0.084 0.000 2.346 1155 A HA 0.702 5.022 4.320 0.000 0.000 0.252 1155 A C 0.646 178.190 177.584 -0.067 0.000 1.089 1155 A CA -0.267 51.733 52.037 -0.062 0.000 0.797 1155 A CB 0.437 19.415 19.000 -0.037 0.000 1.047 1155 A HN 0.837 nan 8.150 nan 0.000 0.494 1156 A N -0.025 122.771 122.820 -0.041 0.000 2.566 1156 A HA 0.452 4.772 4.320 0.000 0.000 0.245 1156 A C 1.623 179.192 177.584 -0.026 0.000 1.056 1156 A CA 0.959 52.989 52.037 -0.012 0.000 0.757 1156 A CB -1.114 17.911 19.000 0.041 0.000 0.979 1156 A HN 2.752 nan 8.150 nan 0.000 0.508 1157 G N 0.884 109.660 108.800 -0.040 0.000 2.199 1157 G HA2 0.139 4.099 3.960 0.000 0.000 0.254 1157 G HA3 0.139 4.099 3.960 0.000 0.000 0.254 1157 G C 0.564 175.431 174.900 -0.056 0.000 0.982 1157 G CA 0.570 45.643 45.100 -0.046 0.000 0.632 1157 G HN 2.180 nan 8.290 nan 0.000 0.529 1158 A N -0.480 122.298 122.820 -0.069 0.000 2.264 1158 A HA 0.846 5.166 4.320 0.000 0.000 0.304 1158 A C 0.259 177.787 177.584 -0.094 0.000 1.100 1158 A CA 0.684 52.678 52.037 -0.071 0.000 0.839 1158 A CB 1.052 20.011 19.000 -0.067 0.000 1.121 1158 A HN 0.709 nan 8.150 nan 0.000 0.496 1159 T N 0.543 115.053 114.554 -0.074 0.000 2.812 1159 T HA 0.611 4.961 4.350 0.000 0.000 0.282 1159 T C 0.155 174.820 174.700 -0.059 0.000 0.990 1159 T CA 0.056 62.111 62.100 -0.076 0.000 0.960 1159 T CB 1.497 70.336 68.868 -0.048 0.000 0.948 1159 T HN 1.044 nan 8.240 nan 0.000 0.438 1160 G N 1.908 110.665 108.800 -0.072 0.000 2.400 1160 G HA2 0.636 4.596 3.960 0.000 0.000 0.333 1160 G HA3 0.636 4.596 3.960 0.000 0.000 0.333 1160 G C -0.881 174.034 174.900 0.025 0.000 1.143 1160 G CA -0.575 44.509 45.100 -0.026 0.000 0.914 1160 G HN 0.497 nan 8.290 nan 0.000 0.480 1161 E N 0.628 120.859 120.200 0.051 0.000 2.158 1161 E HA 0.480 4.830 4.350 0.000 0.000 0.271 1161 E C -0.911 175.748 176.600 0.098 0.000 0.911 1161 E CA -0.517 55.923 56.400 0.068 0.000 0.767 1161 E CB 2.384 32.113 29.700 0.049 0.000 1.120 1161 E HN 0.134 nan 8.360 nan 0.000 0.405 1162 L N 1.402 122.695 121.223 0.118 0.000 2.341 1162 L HA 0.538 4.878 4.340 0.000 0.000 0.267 1162 L C 0.051 176.983 176.870 0.104 0.000 1.009 1162 L CA -0.470 54.448 54.840 0.129 0.000 0.819 1162 L CB 2.105 44.272 42.059 0.181 0.000 1.323 1162 L HN 0.329 nan 8.230 nan 0.000 0.425 1163 T N 2.232 116.842 114.554 0.093 0.000 2.921 1163 T HA 0.736 5.086 4.350 0.000 0.000 0.297 1163 T C -1.093 173.650 174.700 0.071 0.000 1.013 1163 T CA -0.364 61.782 62.100 0.077 0.000 0.990 1163 T CB 1.639 70.573 68.868 0.110 0.000 1.023 1163 T HN 0.439 nan 8.240 nan 0.000 0.447 1164 M N 3.174 122.784 119.600 0.016 0.000 2.501 1164 M HA 0.683 5.163 4.480 0.000 0.000 0.293 1164 M C -2.375 173.873 176.300 -0.086 0.000 1.192 1164 M CA -0.760 54.525 55.300 -0.025 0.000 0.886 1164 M CB 1.695 34.255 32.600 -0.066 0.000 1.710 1164 M HN 0.619 nan 8.290 nan 0.000 0.457 1165 Y N 2.716 122.979 120.300 -0.062 0.000 2.462 1165 Y HA 0.706 5.256 4.550 0.000 0.000 0.346 1165 Y C -1.527 174.410 175.900 0.062 0.000 0.976 1165 Y CA -0.326 57.850 58.100 0.127 0.000 1.044 1165 Y CB 2.063 40.653 38.460 0.217 0.000 1.230 1165 Y HN 0.623 nan 8.280 nan 0.000 0.455 1166 Y N 1.199 121.787 120.300 0.480 0.000 2.477 1166 Y HA 0.283 4.833 4.550 0.000 0.000 0.347 1166 Y C -1.024 175.087 175.900 0.352 0.000 0.981 1166 Y CA -1.553 56.720 58.100 0.289 0.000 1.033 1166 Y CB 2.038 40.555 38.460 0.096 0.000 1.245 1166 Y HN 0.643 nan 8.280 nan 0.000 0.455 1167 W N 5.007 126.383 121.300 0.126 0.000 2.361 1167 W HA 0.666 5.326 4.660 0.000 0.000 0.314 1167 W C -1.903 174.634 176.519 0.030 0.000 1.041 1167 W CA -1.019 56.392 57.345 0.110 0.000 1.241 1167 W CB 1.449 30.932 29.460 0.038 0.000 1.279 1167 W HN 0.310 nan 8.180 nan 0.000 0.436 1168 V N 9.394 129.017 119.914 -0.485 0.000 2.334 1168 V HA 0.192 4.312 4.120 0.000 0.000 0.267 1168 V C -1.590 174.007 176.094 -0.829 0.000 1.040 1168 V CA -1.522 60.505 62.300 -0.454 0.000 0.866 1168 V CB 0.947 32.634 31.823 -0.227 0.000 1.019 1168 V HN 0.357 nan 8.190 nan 0.000 0.468 1169 P HA 0.396 nan 4.420 nan 0.000 0.286 1169 P C 0.033 177.227 177.300 -0.176 0.000 1.261 1169 P CA -0.316 62.615 63.100 -0.281 0.000 0.821 1169 P CB 2.538 34.394 31.700 0.260 0.000 1.013 1170 L N 1.300 122.461 121.223 -0.103 0.000 2.675 1170 L HA 0.324 4.664 4.340 0.000 0.000 0.178 1170 L C 1.362 178.359 176.870 0.211 0.000 1.135 1170 L CA 0.100 54.898 54.840 -0.070 0.000 0.855 1170 L CB -0.778 41.104 42.059 -0.295 0.000 1.235 1170 L HN 0.326 nan 8.230 nan 0.000 0.499 1171 A N -0.906 122.007 122.820 0.155 0.000 2.445 1171 A HA -0.015 4.305 4.320 0.000 0.000 0.242 1171 A C 0.525 178.259 177.584 0.250 0.000 1.075 1171 A CA 0.028 52.178 52.037 0.188 0.000 0.777 1171 A CB -0.016 19.057 19.000 0.122 0.000 1.013 1171 A HN 0.361 nan 8.150 nan 0.000 0.493 1172 Y N 2.246 122.531 120.300 -0.024 0.000 2.181 1172 Y HA -0.024 4.526 4.550 0.000 0.000 0.288 1172 Y C 1.279 177.128 175.900 -0.085 0.000 1.146 1172 Y CA 1.790 59.705 58.100 -0.310 0.000 1.164 1172 Y CB 0.019 38.319 38.460 -0.267 0.000 0.982 1172 Y HN 0.877 nan 8.280 nan 0.000 0.515 1173 S N -2.419 113.255 115.700 -0.044 0.000 2.790 1173 S HA 0.270 4.740 4.470 0.000 0.000 0.292 1173 S C 0.352 174.932 174.600 -0.034 0.000 1.197 1173 S CA -0.621 57.510 58.200 -0.114 0.000 0.851 1173 S CB 1.083 64.200 63.200 -0.137 0.000 1.217 1173 S HN 0.083 nan 8.310 nan 0.000 0.526 1174 E N 1.099 121.250 120.200 -0.081 0.000 2.274 1174 E HA 0.001 4.351 4.350 0.000 0.000 0.194 1174 E C 1.695 178.266 176.600 -0.048 0.000 0.996 1174 E CA 1.822 58.176 56.400 -0.076 0.000 0.840 1174 E CB -0.325 29.302 29.700 -0.122 0.000 0.772 1174 E HN 0.847 nan 8.360 nan 0.000 0.491 1175 T N -2.430 112.107 114.554 -0.028 0.000 2.985 1175 T HA 0.057 4.407 4.350 0.000 0.000 0.254 1175 T C 0.444 175.150 174.700 0.011 0.000 1.021 1175 T CA -0.305 61.786 62.100 -0.015 0.000 0.957 1175 T CB 0.439 69.298 68.868 -0.016 0.000 1.047 1175 T HN -0.207 nan 8.240 nan 0.000 0.511 1176 D N 1.196 121.624 120.400 0.048 0.000 2.453 1176 D HA 0.311 4.951 4.640 0.000 0.000 0.238 1176 D C 0.624 176.960 176.300 0.059 0.000 1.088 1176 D CA -0.674 53.364 54.000 0.065 0.000 0.854 1176 D CB 1.023 41.924 40.800 0.168 0.000 1.076 1176 D HN 0.215 nan 8.370 nan 0.000 0.533 1177 L N 2.503 123.733 121.223 0.011 0.000 2.627 1177 L HA 0.086 4.426 4.340 0.000 0.000 0.233 1177 L C 0.773 177.640 176.870 -0.004 0.000 1.144 1177 L CA 0.157 55.005 54.840 0.013 0.000 0.892 1177 L CB -0.344 41.714 42.059 -0.002 0.000 1.039 1177 L HN 0.255 nan 8.230 nan 0.000 0.442 1178 T N 0.858 115.375 114.554 -0.061 0.000 2.871 1178 T HA 0.226 4.576 4.350 0.000 0.000 0.296 1178 T C 1.260 175.949 174.700 -0.017 0.000 0.998 1178 T CA 1.056 63.050 62.100 -0.177 0.000 1.162 1178 T CB 0.846 69.396 68.868 -0.531 0.000 0.947 1178 T HN 0.632 nan 8.240 nan 0.000 0.536 1179 G N 2.052 110.871 108.800 0.032 0.000 2.195 1179 G HA2 -0.094 3.866 3.960 0.000 0.000 0.246 1179 G HA3 -0.094 3.866 3.960 0.000 0.000 0.246 1179 G C 0.363 175.375 174.900 0.186 0.000 0.984 1179 G CA -0.031 45.189 45.100 0.200 0.000 0.633 1179 G HN 1.159 nan 8.290 nan 0.000 0.525 1180 A N -0.470 122.412 122.820 0.104 0.000 2.386 1180 A HA 0.648 4.968 4.320 0.000 0.000 0.246 1180 A C 0.405 178.029 177.584 0.068 0.000 1.089 1180 A CA 0.750 52.822 52.037 0.058 0.000 0.790 1180 A CB 0.872 19.893 19.000 0.035 0.000 1.042 1180 A HN 1.196 nan 8.150 nan 0.000 0.497 1181 V N 1.893 121.824 119.914 0.028 0.000 2.448 1181 V HA 0.289 4.409 4.120 0.000 0.000 0.295 1181 V C -0.474 175.651 176.094 0.051 0.000 1.025 1181 V CA -0.511 61.826 62.300 0.062 0.000 0.859 1181 V CB 1.344 33.202 31.823 0.058 0.000 0.988 1181 V HN 0.768 nan 8.190 nan 0.000 0.431 1182 L N 5.177 126.437 121.223 0.063 0.000 2.325 1182 L HA 0.590 4.930 4.340 0.000 0.000 0.284 1182 L C 0.864 177.769 176.870 0.057 0.000 1.089 1182 L CA 0.697 55.566 54.840 0.047 0.000 0.836 1182 L CB 0.991 43.083 42.059 0.054 0.000 1.184 1182 L HN 0.748 nan 8.230 nan 0.000 0.444 1183 A N 2.620 125.464 122.820 0.039 0.000 2.469 1183 A HA 0.246 4.566 4.320 0.000 0.000 0.245 1183 A C 1.546 179.146 177.584 0.027 0.000 1.221 1183 A CA 0.482 52.542 52.037 0.039 0.000 0.946 1183 A CB -0.806 18.214 19.000 0.033 0.000 1.049 1183 A HN 0.766 nan 8.150 nan 0.000 0.529 1184 N N 0.365 119.087 118.700 0.037 0.000 2.459 1184 N HA 0.341 5.081 4.740 0.000 0.000 0.181 1184 N C 1.298 176.855 175.510 0.078 0.000 1.046 1184 N CA 1.073 54.157 53.050 0.057 0.000 0.904 1184 N CB -0.908 37.637 38.487 0.096 0.000 0.964 1184 N HN 0.782 nan 8.380 nan 0.000 0.444 1185 V N 0.316 120.277 119.914 0.079 0.000 4.119 1185 V HA 0.229 4.349 4.120 0.000 0.000 0.286 1185 V C -1.141 174.985 176.094 0.053 0.000 0.996 1185 V CA -0.513 61.833 62.300 0.075 0.000 1.027 1185 V CB -1.134 30.733 31.823 0.073 0.000 1.193 1185 V HN 0.306 nan 8.190 nan 0.000 0.454 1186 P HA 0.188 nan 4.420 nan 0.000 0.274 1186 P C 0.736 178.051 177.300 0.025 0.000 1.209 1186 P CA 1.460 64.578 63.100 0.031 0.000 0.790 1186 P CB 0.079 31.796 31.700 0.028 0.000 0.834 1187 Q N 0.956 120.766 119.800 0.017 0.000 2.369 1187 Q HA -0.040 4.300 4.340 0.000 0.000 0.206 1187 Q C 1.252 177.255 176.000 0.006 0.000 0.963 1187 Q CA 1.297 57.107 55.803 0.011 0.000 0.894 1187 Q CB -0.880 27.862 28.738 0.007 0.000 0.965 1187 Q HN 0.514 nan 8.270 nan 0.000 0.475 1188 S N 1.306 117.009 115.700 0.006 0.000 2.702 1188 S HA 0.111 4.581 4.470 0.000 0.000 0.314 1188 S C 0.398 174.995 174.600 -0.006 0.000 1.244 1188 S CA 0.182 58.380 58.200 -0.003 0.000 1.058 1188 S CB 0.006 63.207 63.200 0.002 0.000 0.783 1188 S HN 0.722 nan 8.310 nan 0.000 0.503 1189 K N 4.345 124.732 120.400 -0.022 0.000 2.202 1189 K HA 0.281 4.601 4.320 0.000 0.000 0.264 1189 K C -0.068 176.504 176.600 -0.046 0.000 1.010 1189 K CA -0.607 55.664 56.287 -0.027 0.000 0.940 1189 K CB 0.543 33.020 32.500 -0.038 0.000 0.983 1189 K HN 0.634 nan 8.250 nan 0.000 0.475 1190 Q N 1.087 120.865 119.800 -0.036 0.000 2.212 1190 Q HA 0.325 4.665 4.340 0.000 0.000 0.238 1190 Q C -0.772 175.145 176.000 -0.138 0.000 0.955 1190 Q CA -0.721 55.028 55.803 -0.089 0.000 0.906 1190 Q CB 1.524 30.291 28.738 0.048 0.000 1.215 1190 Q HN 0.461 nan 8.270 nan 0.000 0.478 1191 R N 1.218 121.570 120.500 -0.247 0.000 2.483 1191 R HA 0.380 4.720 4.340 0.000 0.000 0.303 1191 R C -1.627 174.556 176.300 -0.194 0.000 0.987 1191 R CA -0.736 55.258 56.100 -0.177 0.000 0.881 1191 R CB 1.191 31.403 30.300 -0.147 0.000 1.177 1191 R HN 0.330 nan 8.270 nan 0.000 0.451 1192 L N 3.781 124.900 121.223 -0.175 0.000 2.301 1192 L HA 0.391 4.731 4.340 0.000 0.000 0.278 1192 L C -0.868 175.902 176.870 -0.166 0.000 1.022 1192 L CA -0.256 54.467 54.840 -0.195 0.000 0.854 1192 L CB 0.813 42.608 42.059 -0.440 0.000 1.226 1192 L HN 0.398 nan 8.230 nan 0.000 0.429 1193 K N 6.149 126.479 120.400 -0.115 0.000 2.201 1193 K HA 0.600 4.920 4.320 0.000 0.000 0.278 1193 K C -1.222 175.255 176.600 -0.205 0.000 1.027 1193 K CA -0.410 55.806 56.287 -0.118 0.000 0.909 1193 K CB 1.350 33.823 32.500 -0.044 0.000 1.062 1193 K HN 0.542 nan 8.250 nan 0.000 0.465 1194 L N 2.467 123.543 121.223 -0.245 0.000 2.381 1194 L HA 0.359 4.699 4.340 0.000 0.000 0.274 1194 L C -0.440 176.194 176.870 -0.394 0.000 0.988 1194 L CA -0.622 53.954 54.840 -0.441 0.000 0.824 1194 L CB 1.942 43.599 42.059 -0.669 0.000 1.263 1194 L HN 0.649 nan 8.230 nan 0.000 0.410 1195 E N 3.206 123.153 120.200 -0.421 0.000 2.129 1195 E HA 0.450 4.800 4.350 0.000 0.000 0.268 1195 E C -1.302 175.119 176.600 -0.299 0.000 0.900 1195 E CA -0.608 55.650 56.400 -0.237 0.000 0.755 1195 E CB 1.033 30.650 29.700 -0.140 0.000 1.117 1195 E HN 0.300 nan 8.360 nan 0.000 0.410 1196 F N 1.901 121.862 119.950 0.019 0.000 2.370 1196 F HA 0.463 4.990 4.527 0.000 0.000 0.319 1196 F C 1.075 176.901 175.800 0.044 0.000 1.129 1196 F CA -0.547 57.489 58.000 0.060 0.000 1.109 1196 F CB 0.835 39.965 39.000 0.217 0.000 1.262 1196 F HN 0.507 nan 8.300 nan 0.000 0.534 1197 A N 1.649 124.614 122.820 0.241 0.000 2.448 1197 A HA 0.397 4.717 4.320 0.000 0.000 0.239 1197 A C -0.261 177.380 177.584 0.095 0.000 1.080 1197 A CA -0.167 51.970 52.037 0.167 0.000 0.779 1197 A CB -0.194 18.954 19.000 0.246 0.000 1.026 1197 A HN 0.892 nan 8.150 nan 0.000 0.499 1198 N N -0.716 118.095 118.700 0.185 0.000 3.102 1198 N HA 0.255 4.995 4.740 0.000 0.000 0.299 1198 N C -0.119 175.638 175.510 0.412 0.000 1.482 1198 N CA -0.822 52.365 53.050 0.228 0.000 0.785 1198 N CB 0.351 38.946 38.487 0.180 0.000 1.680 1198 N HN 0.299 nan 8.380 nan 0.000 0.594 1199 N N -0.567 118.399 118.700 0.443 0.000 2.520 1199 N HA -0.037 4.703 4.740 0.000 0.000 0.185 1199 N C -0.026 175.695 175.510 0.350 0.000 1.068 1199 N CA 0.666 54.017 53.050 0.502 0.000 0.911 1199 N CB -0.535 38.202 38.487 0.416 0.000 0.961 1199 N HN 0.579 nan 8.380 nan 0.000 0.446 1200 N N -1.022 117.815 118.700 0.228 0.000 2.388 1200 N HA -0.025 4.715 4.740 0.000 0.000 0.176 1200 N C 1.507 177.086 175.510 0.115 0.000 1.062 1200 N CA 0.807 53.957 53.050 0.165 0.000 0.895 1200 N CB 0.386 38.951 38.487 0.130 0.000 1.018 1200 N HN 0.244 nan 8.380 nan 0.000 0.456 1201 T N -2.840 111.766 114.554 0.086 0.000 3.000 1201 T HA 0.310 4.660 4.350 0.000 0.000 0.248 1201 T C 1.848 176.512 174.700 -0.060 0.000 1.034 1201 T CA 0.160 62.286 62.100 0.044 0.000 1.060 1201 T CB 0.098 69.011 68.868 0.076 0.000 0.983 1201 T HN 0.039 nan 8.240 nan 0.000 0.482 1202 A N 0.803 123.476 122.820 -0.245 0.000 2.066 1202 A HA 0.410 4.730 4.320 0.000 0.000 0.218 1202 A C 0.286 177.363 177.584 -0.845 0.000 1.157 1202 A CA 0.170 51.826 52.037 -0.635 0.000 0.670 1202 A CB -0.625 17.772 19.000 -1.005 0.000 0.804 1202 A HN 0.600 nan 8.150 nan 0.000 0.453 1203 F N -0.844 119.163 119.950 0.096 0.000 2.477 1203 F HA 0.648 5.175 4.527 0.000 0.000 0.335 1203 F C 0.221 176.054 175.800 0.055 0.000 1.130 1203 F CA -0.811 57.229 58.000 0.066 0.000 0.948 1203 F CB 1.744 40.762 39.000 0.030 0.000 1.154 1203 F HN 0.050 nan 8.300 nan 0.000 0.439 1204 A N 2.212 125.141 122.820 0.183 0.000 2.304 1204 A HA 0.854 5.174 4.320 0.000 0.000 0.323 1204 A C -0.210 177.430 177.584 0.094 0.000 1.195 1204 A CA -0.632 51.470 52.037 0.107 0.000 0.826 1204 A CB 0.676 19.707 19.000 0.051 0.000 1.184 1204 A HN 0.942 nan 8.150 nan 0.000 0.496 1205 A N 1.802 124.667 122.820 0.074 0.000 2.366 1205 A HA 0.525 4.845 4.320 0.000 0.000 0.249 1205 A C 0.432 178.034 177.584 0.030 0.000 1.084 1205 A CA -0.294 51.771 52.037 0.047 0.000 0.794 1205 A CB -0.008 19.018 19.000 0.044 0.000 1.034 1205 A HN 1.214 nan 8.150 nan 0.000 0.491 1206 V N 1.372 121.294 119.914 0.014 0.000 2.694 1206 V HA 0.354 4.474 4.120 0.000 0.000 0.306 1206 V C 1.704 177.803 176.094 0.009 0.000 1.054 1206 V CA 1.855 64.159 62.300 0.007 0.000 1.161 1206 V CB 0.013 31.834 31.823 -0.004 0.000 0.916 1206 V HN 1.981 nan 8.190 nan 0.000 0.490 1207 G N 3.137 111.941 108.800 0.007 0.000 2.225 1207 G HA2 -0.126 3.834 3.960 0.000 0.000 0.254 1207 G HA3 -0.126 3.834 3.960 0.000 0.000 0.254 1207 G C 0.383 175.289 174.900 0.009 0.000 0.988 1207 G CA 0.288 45.390 45.100 0.004 0.000 0.625 1207 G HN 1.524 nan 8.290 nan 0.000 0.527 1208 A N -0.233 122.598 122.820 0.018 0.000 2.264 1208 A HA 0.674 4.994 4.320 0.000 0.000 0.304 1208 A C 0.472 178.073 177.584 0.028 0.000 1.100 1208 A CA 0.021 52.073 52.037 0.024 0.000 0.839 1208 A CB 0.451 19.473 19.000 0.035 0.000 1.121 1208 A HN 0.492 nan 8.150 nan 0.000 0.496 1209 N N 1.169 119.890 118.700 0.035 0.000 2.452 1209 N HA 0.136 4.877 4.740 0.000 0.000 0.266 1209 N C -1.774 173.759 175.510 0.038 0.000 1.209 1209 N CA -1.285 51.801 53.050 0.060 0.000 0.929 1209 N CB 1.007 39.533 38.487 0.065 0.000 1.063 1209 N HN 0.351 nan 8.380 nan 0.000 0.472 1210 P HA 0.000 nan 4.420 nan 0.000 0.261 1210 P C 1.505 178.633 177.300 -0.286 0.000 1.268 1210 P CA -0.135 62.896 63.100 -0.115 0.000 0.833 1210 P CB 0.471 32.083 31.700 -0.147 0.000 1.231 1211 L N 1.559 122.632 121.223 -0.251 0.000 2.010 1211 L HA -0.187 4.153 4.340 0.000 0.000 0.219 1211 L C 1.740 178.405 176.870 -0.341 0.000 1.077 1211 L CA 2.207 56.771 54.840 -0.461 0.000 0.773 1211 L CB -0.891 41.142 42.059 -0.044 0.000 0.892 1211 L HN -0.120 nan 8.230 nan 0.000 0.436 1212 E N 0.002 120.163 120.200 -0.065 0.000 2.474 1212 E HA 0.286 4.636 4.350 0.000 0.000 0.195 1212 E C 0.690 177.309 176.600 0.032 0.000 1.039 1212 E CA 0.574 57.020 56.400 0.075 0.000 0.881 1212 E CB -0.070 29.713 29.700 0.139 0.000 0.970 1212 E HN 0.577 nan 8.360 nan 0.000 0.486 1213 A N 0.748 123.536 122.820 -0.054 0.000 2.271 1213 A HA 0.506 4.826 4.320 0.000 0.000 0.288 1213 A C 1.108 178.642 177.584 -0.083 0.000 1.094 1213 A CA -0.444 51.554 52.037 -0.064 0.000 0.828 1213 A CB 0.530 19.499 19.000 -0.052 0.000 1.091 1213 A HN 0.047 nan 8.150 nan 0.000 0.493 1214 I N -1.577 118.935 120.570 -0.097 0.000 3.039 1214 I HA 0.120 4.290 4.170 0.000 0.000 0.270 1214 I C -0.353 175.574 176.117 -0.317 0.000 1.150 1214 I CA 0.655 61.865 61.300 -0.149 0.000 1.448 1214 I CB -0.010 37.963 38.000 -0.045 0.000 1.197 1214 I HN 0.585 nan 8.210 nan 0.000 0.450 1215 Y N 0.344 120.662 120.300 0.030 0.000 2.499 1215 Y HA 0.563 5.113 4.550 0.000 0.000 0.347 1215 Y C -0.237 175.715 175.900 0.087 0.000 0.987 1215 Y CA -0.736 57.417 58.100 0.088 0.000 1.044 1215 Y CB 1.764 40.329 38.460 0.175 0.000 1.245 1215 Y HN -0.062 nan 8.280 nan 0.000 0.461 1216 Q N 1.296 121.217 119.800 0.201 0.000 2.389 1216 Q HA 0.770 5.110 4.340 0.000 0.000 0.277 1216 Q C -0.981 175.074 176.000 0.091 0.000 1.082 1216 Q CA -0.641 55.232 55.803 0.116 0.000 0.810 1216 Q CB 2.695 31.457 28.738 0.039 0.000 1.374 1216 Q HN 0.969 nan 8.270 nan 0.000 0.422 1217 G N 0.338 109.168 108.800 0.050 0.000 2.336 1217 G HA2 0.351 4.311 3.960 0.000 0.000 0.300 1217 G HA3 0.351 4.311 3.960 0.000 0.000 0.300 1217 G C -0.207 174.666 174.900 -0.046 0.000 1.375 1217 G CA -0.128 44.973 45.100 0.002 0.000 0.885 1217 G HN 0.739 nan 8.290 nan 0.000 0.599 1218 A N -0.839 121.925 122.820 -0.095 0.000 2.024 1218 A HA 0.292 4.612 4.320 0.000 0.000 0.220 1218 A C 2.278 179.670 177.584 -0.320 0.000 1.164 1218 A CA 2.801 54.742 52.037 -0.161 0.000 0.643 1218 A CB -0.490 18.411 19.000 -0.165 0.000 0.806 1218 A HN 2.032 nan 8.150 nan 0.000 0.451 1219 G N -1.703 106.883 108.800 -0.357 0.000 3.189 1219 G HA2 0.349 4.309 3.960 0.000 0.000 0.225 1219 G HA3 0.349 4.309 3.960 0.000 0.000 0.225 1219 G C 1.266 176.071 174.900 -0.158 0.000 1.159 1219 G CA 0.863 45.686 45.100 -0.462 0.000 0.763 1219 G HN 0.625 nan 8.290 nan 0.000 0.549 1220 A N 1.449 124.215 122.820 -0.089 0.000 1.917 1220 A HA 0.103 4.423 4.320 0.000 0.000 0.219 1220 A C 2.771 180.344 177.584 -0.018 0.000 1.182 1220 A CA 2.232 54.257 52.037 -0.019 0.000 0.633 1220 A CB -0.732 18.320 19.000 0.086 0.000 0.819 1220 A HN 0.804 nan 8.150 nan 0.000 0.448 1221 A N -0.651 122.187 122.820 0.029 0.000 2.032 1221 A HA -0.173 4.147 4.320 0.000 0.000 0.221 1221 A C 1.342 178.932 177.584 0.010 0.000 1.165 1221 A CA 1.804 53.870 52.037 0.049 0.000 0.645 1221 A CB -0.354 18.687 19.000 0.070 0.000 0.807 1221 A HN 0.488 nan 8.150 nan 0.000 0.453 1222 D N -1.233 119.165 120.400 -0.004 0.000 2.424 1222 D HA 0.200 4.840 4.640 0.000 0.000 0.220 1222 D C -0.367 175.816 176.300 -0.195 0.000 1.150 1222 D CA -0.044 53.924 54.000 -0.053 0.000 0.831 1222 D CB -0.094 40.713 40.800 0.012 0.000 0.981 1222 D HN 0.290 nan 8.370 nan 0.000 0.500 1223 C N 1.539 120.599 119.300 -0.400 0.000 2.398 1223 C HA 0.572 5.032 4.460 0.000 0.000 0.364 1223 C C 0.529 175.008 174.990 -0.851 0.000 1.219 1223 C CA -0.508 58.031 59.018 -0.798 0.000 2.312 1223 C CB 0.876 27.758 27.740 -1.431 0.000 2.428 1223 C HN 0.400 nan 8.230 nan 0.000 0.564 1224 E N 0.601 120.394 120.200 -0.678 0.000 2.407 1224 E HA 0.457 4.807 4.350 0.000 0.000 0.279 1224 E C -1.733 174.818 176.600 -0.080 0.000 1.012 1224 E CA -0.687 55.587 56.400 -0.211 0.000 0.800 1224 E CB 0.624 30.300 29.700 -0.040 0.000 1.276 1224 E HN 0.401 nan 8.360 nan 0.000 0.452 1225 F N 1.464 121.531 119.950 0.196 0.000 2.427 1225 F HA 0.156 4.683 4.527 0.000 0.000 0.352 1225 F C 1.781 177.601 175.800 0.034 0.000 1.100 1225 F CA 0.044 58.126 58.000 0.137 0.000 1.191 1225 F CB 1.440 40.511 39.000 0.119 0.000 1.128 1225 F HN 0.764 nan 8.300 nan 0.000 0.533 1226 E N 2.438 122.747 120.200 0.181 0.000 2.076 1226 E HA -0.048 4.302 4.350 0.000 0.000 0.190 1226 E C -0.238 176.397 176.600 0.059 0.000 0.979 1226 E CA 0.894 57.343 56.400 0.081 0.000 0.807 1226 E CB 0.366 30.088 29.700 0.037 0.000 0.761 1226 E HN 0.806 nan 8.360 nan 0.000 0.454 1227 E N -1.015 119.219 120.200 0.057 0.000 2.398 1227 E HA 0.351 4.701 4.350 0.000 0.000 0.280 1227 E C -1.305 175.161 176.600 -0.224 0.000 1.122 1227 E CA -0.688 55.639 56.400 -0.122 0.000 0.873 1227 E CB 0.542 30.162 29.700 -0.134 0.000 1.294 1227 E HN 0.044 nan 8.360 nan 0.000 0.435 1228 I N 0.961 121.162 120.570 -0.614 0.000 2.647 1228 I HA 0.564 4.734 4.170 0.000 0.000 0.295 1228 I C -0.894 174.794 176.117 -0.714 0.000 1.078 1228 I CA -0.944 59.929 61.300 -0.711 0.000 1.048 1228 I CB 2.216 39.529 38.000 -1.144 0.000 1.239 1228 I HN 0.561 nan 8.210 nan 0.000 0.421 1229 S N 4.182 119.659 115.700 -0.371 0.000 2.549 1229 S HA 0.783 5.253 4.470 0.000 0.000 0.280 1229 S C -1.589 172.948 174.600 -0.105 0.000 1.109 1229 S CA -0.434 57.608 58.200 -0.262 0.000 0.905 1229 S CB 1.445 64.531 63.200 -0.190 0.000 1.081 1229 S HN 0.484 nan 8.310 nan 0.000 0.477 1230 Y N -0.185 120.030 120.300 -0.142 0.000 2.562 1230 Y HA 0.828 5.378 4.550 0.000 0.000 0.345 1230 Y C -0.867 175.005 175.900 -0.046 0.000 1.045 1230 Y CA -0.842 57.234 58.100 -0.041 0.000 1.028 1230 Y CB 1.409 39.914 38.460 0.075 0.000 1.297 1230 Y HN 0.435 nan 8.280 nan 0.000 0.463 1231 T N 2.876 117.541 114.554 0.186 0.000 2.928 1231 T HA 0.536 4.886 4.350 0.000 0.000 0.296 1231 T C -1.451 173.331 174.700 0.137 0.000 1.000 1231 T CA -0.654 61.468 62.100 0.035 0.000 0.989 1231 T CB 1.528 70.358 68.868 -0.063 0.000 1.005 1231 T HN 0.625 nan 8.240 nan 0.000 0.442 1232 V N 4.066 124.034 119.914 0.090 0.000 2.398 1232 V HA 0.488 4.608 4.120 0.000 0.000 0.286 1232 V C -1.146 174.979 176.094 0.053 0.000 1.026 1232 V CA -0.767 61.628 62.300 0.158 0.000 0.868 1232 V CB 0.907 32.825 31.823 0.158 0.000 0.982 1232 V HN 0.818 nan 8.190 nan 0.000 0.443 1233 Y N 2.975 123.455 120.300 0.300 0.000 2.352 1233 Y HA 0.500 5.050 4.550 0.000 0.000 0.339 1233 Y C 0.296 176.392 175.900 0.326 0.000 0.992 1233 Y CA -0.331 57.943 58.100 0.290 0.000 1.100 1233 Y CB 1.731 40.358 38.460 0.280 0.000 1.192 1233 Y HN 0.566 nan 8.280 nan 0.000 0.458 1234 Q N 2.159 122.225 119.800 0.443 0.000 2.271 1234 Q HA 0.444 4.784 4.340 0.000 0.000 0.258 1234 Q C -0.889 175.277 176.000 0.277 0.000 0.936 1234 Q CA -0.574 55.406 55.803 0.296 0.000 0.909 1234 Q CB 1.329 30.269 28.738 0.337 0.000 1.253 1234 Q HN 0.653 nan 8.270 nan 0.000 0.440 1235 S N 4.385 120.151 115.700 0.111 0.000 2.433 1235 S HA 0.621 5.091 4.470 0.000 0.000 0.310 1235 S C -1.371 173.309 174.600 0.133 0.000 1.097 1235 S CA -0.378 57.912 58.200 0.151 0.000 1.103 1235 S CB 0.226 63.621 63.200 0.324 0.000 0.992 1235 S HN 0.572 nan 8.310 nan 0.000 0.469 1236 Y N 2.086 122.385 120.300 -0.002 0.000 2.689 1236 Y HA 0.726 5.276 4.550 0.000 0.000 0.333 1236 Y C -1.812 174.085 175.900 -0.006 0.000 1.190 1236 Y CA -1.584 56.502 58.100 -0.024 0.000 1.063 1236 Y CB 0.883 39.328 38.460 -0.025 0.000 1.294 1236 Y HN 0.414 nan 8.280 nan 0.000 0.466 1237 L N 2.409 123.710 121.223 0.131 0.000 2.313 1237 L HA 0.477 4.817 4.340 0.000 0.000 0.283 1237 L C -0.851 176.114 176.870 0.159 0.000 1.013 1237 L CA -0.567 54.294 54.840 0.037 0.000 0.816 1237 L CB 1.432 43.495 42.059 0.007 0.000 1.236 1237 L HN 0.688 nan 8.230 nan 0.000 0.419 1238 D N 1.810 122.282 120.400 0.121 0.000 2.449 1238 D HA 0.236 4.876 4.640 0.000 0.000 0.250 1238 D C -0.338 176.023 176.300 0.102 0.000 1.050 1238 D CA -0.017 54.090 54.000 0.178 0.000 1.024 1238 D CB 1.427 42.369 40.800 0.236 0.000 1.218 1238 D HN 0.363 nan 8.370 nan 0.000 0.566 1239 Q N 0.158 120.011 119.800 0.088 0.000 2.470 1239 Q HA -0.172 4.168 4.340 0.000 0.000 0.294 1239 Q C -0.479 175.537 176.000 0.027 0.000 1.356 1239 Q CA 0.363 56.207 55.803 0.069 0.000 0.805 1239 Q CB -1.846 26.941 28.738 0.082 0.000 1.157 1239 Q HN 0.471 nan 8.270 nan 0.000 0.431 1240 L N 2.010 123.201 121.223 -0.053 0.000 2.490 1240 L HA 0.118 4.458 4.340 0.000 0.000 0.274 1240 L C -1.053 175.791 176.870 -0.044 0.000 1.201 1240 L CA -1.090 53.657 54.840 -0.154 0.000 0.869 1240 L CB -0.208 41.552 42.059 -0.499 0.000 1.123 1240 L HN 0.009 nan 8.230 nan 0.000 0.484 1241 P HA 0.138 nan 4.420 nan 0.000 0.271 1241 P C -0.821 176.573 177.300 0.157 0.000 1.216 1241 P CA -0.177 62.963 63.100 0.068 0.000 0.771 1241 P CB 1.383 33.107 31.700 0.041 0.000 0.864 1242 V N 2.445 122.463 119.914 0.174 0.000 2.667 1242 V HA 0.760 4.880 4.120 0.000 0.000 0.308 1242 V C 0.904 177.058 176.094 0.100 0.000 1.048 1242 V CA -0.150 62.264 62.300 0.191 0.000 0.928 1242 V CB 1.705 33.623 31.823 0.159 0.000 1.004 1242 V HN 0.903 nan 8.190 nan 0.000 0.444 1243 G N 1.172 110.019 108.800 0.079 0.000 3.247 1243 G HA2 0.557 4.517 3.960 0.000 0.000 0.226 1243 G HA3 0.557 4.517 3.960 0.000 0.000 0.226 1243 G C 0.545 175.462 174.900 0.029 0.000 1.220 1243 G CA 0.571 45.700 45.100 0.048 0.000 0.875 1243 G HN 0.744 nan 8.290 nan 0.000 0.606 1244 Q N -1.447 118.366 119.800 0.022 0.000 1.921 1244 Q HA -0.169 4.171 4.340 0.000 0.000 0.208 1244 Q C 2.559 178.563 176.000 0.005 0.000 0.994 1244 Q CA 2.965 58.775 55.803 0.012 0.000 0.857 1244 Q CB -1.988 26.757 28.738 0.011 0.000 0.925 1244 Q HN 1.336 nan 8.270 nan 0.000 0.421 1245 N N -0.095 118.611 118.700 0.009 0.000 2.519 1245 N HA 0.372 5.112 4.740 0.000 0.000 0.186 1245 N C 1.466 176.972 175.510 -0.007 0.000 1.062 1245 N CA 1.782 54.834 53.050 0.003 0.000 0.910 1245 N CB -0.135 38.358 38.487 0.011 0.000 0.958 1245 N HN 1.580 nan 8.380 nan 0.000 0.445 1246 G N -1.874 106.926 108.800 0.001 0.000 2.250 1246 G HA2 0.019 3.979 3.960 0.000 0.000 0.196 1246 G HA3 0.019 3.979 3.960 0.000 0.000 0.196 1246 G C -0.808 174.137 174.900 0.076 0.000 1.308 1246 G CA -0.415 44.668 45.100 -0.029 0.000 1.207 1246 G HN 0.454 nan 8.290 nan 0.000 0.505 1247 Y N 0.918 121.228 120.300 0.018 0.000 2.805 1247 Y HA 0.224 4.774 4.550 0.000 0.000 0.331 1247 Y C 1.338 177.249 175.900 0.018 0.000 1.241 1247 Y CA -0.090 58.023 58.100 0.020 0.000 1.546 1247 Y CB 0.200 38.674 38.460 0.024 0.000 1.248 1247 Y HN 0.238 nan 8.280 nan 0.000 0.559 1248 I N 6.725 127.405 120.570 0.183 0.000 2.308 1248 I HA 0.123 4.293 4.170 0.000 0.000 0.293 1248 I C -0.476 175.675 176.117 0.056 0.000 1.078 1248 I CA 0.265 61.620 61.300 0.091 0.000 1.292 1248 I CB 0.056 38.093 38.000 0.062 0.000 1.423 1248 I HN 0.366 nan 8.210 nan 0.000 0.493 1249 L N 8.629 129.884 121.223 0.053 0.000 2.401 1249 L HA 0.509 4.849 4.340 0.000 0.000 0.266 1249 L C -2.421 174.459 176.870 0.016 0.000 0.991 1249 L CA -1.876 52.980 54.840 0.027 0.000 0.818 1249 L CB 2.530 44.615 42.059 0.044 0.000 1.321 1249 L HN 0.344 nan 8.230 nan 0.000 0.413 1250 P HA 0.166 nan 4.420 nan 0.000 0.273 1250 P C 0.647 177.942 177.300 -0.008 0.000 1.428 1250 P CA -0.234 62.860 63.100 -0.010 0.000 0.995 1250 P CB 0.655 32.342 31.700 -0.022 0.000 1.286 1251 L N 2.684 123.906 121.223 -0.002 0.000 2.131 1251 L HA -0.156 4.184 4.340 0.000 0.000 0.210 1251 L C 2.371 179.233 176.870 -0.013 0.000 1.092 1251 L CA 1.307 56.148 54.840 0.002 0.000 0.759 1251 L CB -0.522 41.542 42.059 0.008 0.000 0.903 1251 L HN 0.279 nan 8.230 nan 0.000 0.435 1252 I N -0.424 120.127 120.570 -0.032 0.000 2.233 1252 I HA -0.232 3.938 4.170 0.000 0.000 0.243 1252 I C 2.110 178.181 176.117 -0.077 0.000 1.093 1252 I CA 1.010 62.276 61.300 -0.056 0.000 1.380 1252 I CB -0.419 37.537 38.000 -0.073 0.000 1.067 1252 I HN 0.200 nan 8.210 nan 0.000 0.413 1253 D N 1.335 121.688 120.400 -0.079 0.000 2.106 1253 D HA -0.176 4.464 4.640 0.000 0.000 0.191 1253 D C 2.194 178.468 176.300 -0.043 0.000 0.997 1253 D CA 1.474 55.421 54.000 -0.088 0.000 0.834 1253 D CB -0.395 40.368 40.800 -0.062 0.000 0.956 1253 D HN 0.277 nan 8.370 nan 0.000 0.448 1254 L N 0.407 121.624 121.223 -0.010 0.000 2.465 1254 L HA -0.016 4.324 4.340 0.000 0.000 0.224 1254 L C 1.710 178.602 176.870 0.037 0.000 1.145 1254 L CA 0.737 55.593 54.840 0.027 0.000 0.834 1254 L CB -0.240 41.838 42.059 0.032 0.000 0.944 1254 L HN 0.034 nan 8.230 nan 0.000 0.451 1255 S N -3.019 112.687 115.700 0.010 0.000 2.568 1255 S HA 0.152 4.622 4.470 0.000 0.000 0.232 1255 S C 0.564 175.160 174.600 -0.007 0.000 0.975 1255 S CA -0.536 57.672 58.200 0.013 0.000 0.949 1255 S CB 0.082 63.286 63.200 0.007 0.000 0.829 1255 S HN 0.111 nan 8.310 nan 0.000 0.479 1256 T N 2.746 117.284 114.554 -0.026 0.000 2.855 1256 T HA 0.603 4.953 4.350 0.000 0.000 0.281 1256 T C -0.609 174.085 174.700 -0.010 0.000 1.007 1256 T CA -0.616 61.451 62.100 -0.056 0.000 1.009 1256 T CB 1.407 70.170 68.868 -0.175 0.000 0.983 1256 T HN 0.240 nan 8.240 nan 0.000 0.455 1257 L N 2.943 124.161 121.223 -0.009 0.000 2.295 1257 L HA 0.506 4.846 4.340 0.000 0.000 0.285 1257 L C -1.030 175.928 176.870 0.146 0.000 1.035 1257 L CA -1.131 53.685 54.840 -0.040 0.000 0.806 1257 L CB 0.877 42.794 42.059 -0.238 0.000 1.214 1257 L HN 0.628 nan 8.230 nan 0.000 0.426 1258 Y N 4.070 124.423 120.300 0.089 0.000 2.388 1258 Y HA 0.488 5.038 4.550 0.000 0.000 0.328 1258 Y C -0.929 174.924 175.900 -0.078 0.000 0.963 1258 Y CA -1.138 57.062 58.100 0.167 0.000 1.240 1258 Y CB 0.649 39.339 38.460 0.383 0.000 1.118 1258 Y HN 0.530 nan 8.280 nan 0.000 0.484 1259 N N 5.855 124.109 118.700 -0.744 0.000 2.312 1259 N HA 0.573 5.313 4.740 0.000 0.000 0.296 1259 N C -1.520 173.475 175.510 -0.858 0.000 1.193 1259 N CA -0.660 51.894 53.050 -0.827 0.000 0.773 1259 N CB 2.367 40.362 38.487 -0.821 0.000 1.435 1259 N HN 0.567 nan 8.380 nan 0.000 0.484 1260 L N 0.491 121.420 121.223 -0.490 0.000 2.346 1260 L HA 0.585 4.925 4.340 0.000 0.000 0.276 1260 L C 0.017 176.887 176.870 0.000 0.000 1.006 1260 L CA -0.546 54.184 54.840 -0.184 0.000 0.817 1260 L CB 1.714 43.652 42.059 -0.203 0.000 1.272 1260 L HN 0.379 nan 8.230 nan 0.000 0.421 1261 E N 2.080 122.420 120.200 0.232 0.000 2.390 1261 E HA 0.344 4.694 4.350 0.000 0.000 0.277 1261 E C -1.506 175.203 176.600 0.182 0.000 0.939 1261 E CA -0.820 55.718 56.400 0.230 0.000 0.769 1261 E CB 3.090 33.008 29.700 0.365 0.000 1.251 1261 E HN 0.670 nan 8.360 nan 0.000 0.450 1262 N N -0.010 118.732 118.700 0.070 0.000 2.453 1262 N HA 0.566 5.306 4.740 0.000 0.000 0.290 1262 N C -1.084 174.474 175.510 0.079 0.000 1.250 1262 N CA -0.609 52.413 53.050 -0.047 0.000 0.815 1262 N CB 1.851 40.212 38.487 -0.210 0.000 1.381 1262 N HN 0.472 nan 8.380 nan 0.000 0.510 1263 S N -1.998 113.750 115.700 0.080 0.000 2.615 1263 S HA 0.863 5.333 4.470 0.000 0.000 0.269 1263 S C -1.657 173.018 174.600 0.126 0.000 1.161 1263 S CA -0.898 57.380 58.200 0.129 0.000 0.817 1263 S CB 1.095 64.412 63.200 0.196 0.000 1.131 1263 S HN 1.092 nan 8.310 nan 0.000 0.467 1264 A N 0.857 123.758 122.820 0.135 0.000 2.414 1264 A HA 0.840 5.160 4.320 0.000 0.000 0.306 1264 A C -1.162 176.516 177.584 0.156 0.000 1.054 1264 A CA -0.683 51.446 52.037 0.152 0.000 0.724 1264 A CB 1.610 20.698 19.000 0.147 0.000 1.267 1264 A HN 0.688 nan 8.150 nan 0.000 0.418 1265 Q N 0.093 120.010 119.800 0.195 0.000 2.372 1265 Q HA 0.726 5.066 4.340 0.000 0.000 0.273 1265 Q C -0.703 175.471 176.000 0.290 0.000 1.078 1265 Q CA -0.599 55.366 55.803 0.269 0.000 0.806 1265 Q CB 2.519 31.463 28.738 0.344 0.000 1.332 1265 Q HN 1.086 nan 8.270 nan 0.000 0.435 1266 A N -0.436 122.560 122.820 0.293 0.000 2.486 1266 A HA 0.908 5.228 4.320 0.000 0.000 0.289 1266 A C 0.207 177.911 177.584 0.199 0.000 1.176 1266 A CA -0.136 51.974 52.037 0.122 0.000 0.757 1266 A CB 1.615 20.657 19.000 0.070 0.000 1.337 1266 A HN 1.004 nan 8.150 nan 0.000 0.423 1267 G N -0.907 107.894 108.800 0.002 0.000 2.155 1267 G HA2 0.015 3.975 3.960 0.000 0.000 0.135 1267 G HA3 0.015 3.975 3.960 0.000 0.000 0.135 1267 G C -0.400 174.484 174.900 -0.026 0.000 1.023 1267 G CA -0.080 45.079 45.100 0.100 0.000 0.688 1267 G HN 0.780 nan 8.290 nan 0.000 0.499 1268 L N 1.373 122.357 121.223 -0.399 0.000 2.397 1268 L HA 0.685 5.025 4.340 0.000 0.000 0.271 1268 L C 0.586 177.360 176.870 -0.160 0.000 1.148 1268 L CA 0.291 54.860 54.840 -0.452 0.000 0.825 1268 L CB 1.448 43.115 42.059 -0.654 0.000 1.117 1268 L HN 0.162 nan 8.230 nan 0.000 0.456 1269 T N 2.393 116.890 114.554 -0.097 0.000 2.916 1269 T HA 0.372 4.722 4.350 0.000 0.000 0.298 1269 T C -2.636 172.030 174.700 -0.056 0.000 1.031 1269 T CA -1.387 60.683 62.100 -0.049 0.000 0.993 1269 T CB 1.922 70.783 68.868 -0.012 0.000 1.045 1269 T HN 0.214 nan 8.240 nan 0.000 0.454 1270 P HA 0.055 nan 4.420 nan 0.000 0.261 1270 P C 0.362 177.634 177.300 -0.047 0.000 1.173 1270 P CA 0.437 63.511 63.100 -0.043 0.000 0.760 1270 P CB 0.146 31.831 31.700 -0.026 0.000 0.783 1271 N N -0.908 117.751 118.700 -0.069 0.000 2.753 1271 N HA -0.144 4.596 4.740 0.000 0.000 0.251 1271 N C -0.608 174.868 175.510 -0.057 0.000 1.097 1271 N CA 0.755 53.766 53.050 -0.065 0.000 0.786 1271 N CB -1.652 36.819 38.487 -0.027 0.000 1.137 1271 N HN 0.186 nan 8.380 nan 0.000 0.566 1272 V N 0.919 120.795 119.914 -0.064 0.000 2.555 1272 V HA 0.233 4.353 4.120 0.000 0.000 0.302 1272 V C 0.093 176.160 176.094 -0.046 0.000 1.038 1272 V CA -0.847 61.434 62.300 -0.032 0.000 0.887 1272 V CB 2.161 33.983 31.823 -0.001 0.000 0.991 1272 V HN -0.054 nan 8.190 nan 0.000 0.434 1273 D N 3.313 123.697 120.400 -0.027 0.000 2.434 1273 D HA 0.127 4.767 4.640 0.000 0.000 0.252 1273 D C -0.572 175.745 176.300 0.029 0.000 1.185 1273 D CA 0.493 54.474 54.000 -0.033 0.000 0.886 1273 D CB 0.422 41.225 40.800 0.006 0.000 1.148 1273 D HN 0.342 nan 8.370 nan 0.000 0.483 1274 F N 3.598 123.456 119.950 -0.153 0.000 2.385 1274 F HA 0.327 4.854 4.527 0.000 0.000 0.360 1274 F C -0.723 175.023 175.800 -0.090 0.000 1.122 1274 F CA -0.805 57.123 58.000 -0.120 0.000 1.090 1274 F CB 0.811 39.712 39.000 -0.165 0.000 1.150 1274 F HN -0.000 nan 8.300 nan 0.000 0.472 1275 V N 6.967 126.613 119.914 -0.446 0.000 2.384 1275 V HA 0.395 4.515 4.120 0.000 0.000 0.287 1275 V C -0.569 175.276 176.094 -0.415 0.000 1.020 1275 V CA -0.893 61.219 62.300 -0.313 0.000 0.850 1275 V CB 1.418 33.134 31.823 -0.178 0.000 0.987 1275 V HN 0.492 nan 8.190 nan 0.000 0.436 1276 V N 5.467 125.236 119.914 -0.242 0.000 2.328 1276 V HA 0.317 4.437 4.120 0.000 0.000 0.278 1276 V C 0.228 176.191 176.094 -0.218 0.000 1.021 1276 V CA -0.590 61.580 62.300 -0.216 0.000 0.838 1276 V CB 1.082 32.845 31.823 -0.099 0.000 0.999 1276 V HN 0.925 nan 8.190 nan 0.000 0.447 1277 Q N 3.217 122.899 119.800 -0.197 0.000 2.352 1277 Q HA 0.344 4.684 4.340 0.000 0.000 0.260 1277 Q C -1.143 174.614 176.000 -0.405 0.000 0.976 1277 Q CA -0.022 55.651 55.803 -0.215 0.000 0.881 1277 Q CB 0.978 29.646 28.738 -0.117 0.000 1.235 1277 Q HN 0.655 nan 8.270 nan 0.000 0.419 1278 Y N 0.205 120.254 120.300 -0.419 0.000 2.320 1278 Y HA 0.403 4.953 4.550 0.000 0.000 0.324 1278 Y C 0.480 175.940 175.900 -0.734 0.000 1.190 1278 Y CA -0.566 57.154 58.100 -0.632 0.000 1.215 1278 Y CB 1.078 39.129 38.460 -0.683 0.000 1.221 1278 Y HN 0.668 nan 8.280 nan 0.000 0.486 1279 A N 2.413 124.964 122.820 -0.448 0.000 2.272 1279 A HA 0.400 4.720 4.320 0.000 0.000 0.275 1279 A C -0.257 177.125 177.584 -0.336 0.000 1.096 1279 A CA -0.730 50.874 52.037 -0.720 0.000 0.822 1279 A CB 0.058 18.823 19.000 -0.392 0.000 1.088 1279 A HN 0.876 nan 8.150 nan 0.000 0.495 1280 N N -1.416 117.119 118.700 -0.275 0.000 2.447 1280 N HA 0.480 5.220 4.740 0.000 0.000 0.271 1280 N C 0.204 175.610 175.510 -0.173 0.000 1.226 1280 N CA -0.022 52.916 53.050 -0.187 0.000 0.980 1280 N CB 1.036 39.444 38.487 -0.131 0.000 1.206 1280 N HN 1.417 nan 8.380 nan 0.000 0.558 1281 L N -3.363 117.807 121.223 -0.088 0.000 3.121 1281 L HA -0.220 4.120 4.340 0.000 0.000 0.404 1281 L C -1.048 176.104 176.870 0.470 0.000 0.695 1281 L CA 1.596 56.542 54.840 0.178 0.000 3.096 1281 L CB -1.766 40.339 42.059 0.076 0.000 0.683 1281 L HN 0.745 nan 8.230 nan 0.000 0.743 1282 Y N 1.914 122.228 120.300 0.023 0.000 2.309 1282 Y HA 0.480 5.030 4.550 0.000 0.000 0.327 1282 Y C 0.803 176.711 175.900 0.013 0.000 1.172 1282 Y CA -0.917 57.059 58.100 -0.206 0.000 1.280 1282 Y CB 0.501 38.363 38.460 -0.996 0.000 1.234 1282 Y HN 0.070 nan 8.280 nan 0.000 0.512 1283 R N 3.861 124.458 120.500 0.162 0.000 2.280 1283 R HA 0.201 4.541 4.340 0.000 0.000 0.326 1283 R C -1.696 174.667 176.300 0.105 0.000 1.080 1283 R CA -0.644 55.549 56.100 0.155 0.000 1.002 1283 R CB 0.273 30.599 30.300 0.044 0.000 1.136 1283 R HN 0.578 nan 8.270 nan 0.000 0.509 1284 Y N 2.959 123.364 120.300 0.175 0.000 2.531 1284 Y HA 0.033 4.583 4.550 0.000 0.000 0.347 1284 Y C 1.562 177.523 175.900 0.101 0.000 1.024 1284 Y CA -0.189 58.028 58.100 0.196 0.000 1.306 1284 Y CB 0.607 39.194 38.460 0.212 0.000 1.149 1284 Y HN 0.440 nan 8.280 nan 0.000 0.527 1285 L N 1.911 123.253 121.223 0.199 0.000 2.162 1285 L HA 0.027 4.367 4.340 0.000 0.000 0.205 1285 L C 0.770 177.747 176.870 0.179 0.000 1.086 1285 L CA 0.627 55.525 54.840 0.095 0.000 0.778 1285 L CB -0.129 41.907 42.059 -0.039 0.000 0.928 1285 L HN 0.624 nan 8.230 nan 0.000 0.446 1286 S N -1.968 113.902 115.700 0.284 0.000 2.570 1286 S HA 0.601 5.071 4.470 0.000 0.000 0.270 1286 S C -0.614 174.184 174.600 0.330 0.000 1.149 1286 S CA -0.685 57.655 58.200 0.234 0.000 0.837 1286 S CB 2.379 65.765 63.200 0.310 0.000 1.124 1286 S HN -0.071 nan 8.310 nan 0.000 0.465 1287 T N 1.979 116.644 114.554 0.186 0.000 2.886 1287 T HA 0.612 4.962 4.350 0.000 0.000 0.292 1287 T C -0.932 173.784 174.700 0.026 0.000 1.012 1287 T CA -0.421 61.745 62.100 0.110 0.000 0.982 1287 T CB 0.883 69.848 68.868 0.163 0.000 1.018 1287 T HN 0.660 nan 8.240 nan 0.000 0.451 1288 I N 2.275 122.806 120.570 -0.065 0.000 2.465 1288 I HA 0.709 4.879 4.170 0.000 0.000 0.291 1288 I C -0.376 175.666 176.117 -0.124 0.000 1.014 1288 I CA -0.980 60.372 61.300 0.086 0.000 1.093 1288 I CB 1.751 39.944 38.000 0.321 0.000 1.267 1288 I HN 0.727 nan 8.210 nan 0.000 0.431 1289 A N 6.371 129.180 122.820 -0.019 0.000 2.335 1289 A HA 0.745 5.065 4.320 0.000 0.000 0.304 1289 A C -1.096 176.638 177.584 0.250 0.000 1.118 1289 A CA -0.472 51.551 52.037 -0.024 0.000 0.757 1289 A CB 1.374 20.236 19.000 -0.230 0.000 1.188 1289 A HN 0.395 nan 8.150 nan 0.000 0.460 1290 V N 3.310 123.392 119.914 0.279 0.000 2.370 1290 V HA 0.316 4.436 4.120 0.000 0.000 0.283 1290 V C -0.656 175.672 176.094 0.392 0.000 1.023 1290 V CA -0.389 62.115 62.300 0.341 0.000 0.857 1290 V CB 1.206 33.197 31.823 0.279 0.000 0.985 1290 V HN 0.778 nan 8.190 nan 0.000 0.443 1291 F N 5.321 125.402 119.950 0.217 0.000 2.451 1291 F HA 0.367 4.894 4.527 0.000 0.000 0.356 1291 F C 0.440 176.149 175.800 -0.152 0.000 1.178 1291 F CA -1.852 56.184 58.000 0.059 0.000 1.210 1291 F CB 0.176 39.227 39.000 0.085 0.000 1.504 1291 F HN 0.607 nan 8.300 nan 0.000 0.598 1292 D N 4.131 124.537 120.400 0.009 0.000 2.435 1292 D HA -0.026 4.614 4.640 0.000 0.000 0.230 1292 D C -0.067 175.911 176.300 -0.537 0.000 1.215 1292 D CA 0.088 53.776 54.000 -0.521 0.000 0.947 1292 D CB -0.314 40.430 40.800 -0.093 0.000 1.048 1292 D HN 0.255 nan 8.370 nan 0.000 0.512 1293 N N 2.863 120.991 118.700 -0.954 0.000 3.178 1293 N HA 0.198 4.938 4.740 0.000 0.000 0.300 1293 N C 0.742 175.957 175.510 -0.491 0.000 1.242 1293 N CA 0.456 52.998 53.050 -0.846 0.000 1.192 1293 N CB -0.463 37.329 38.487 -1.158 0.000 1.463 1293 N HN 0.617 nan 8.380 nan 0.000 0.539 1294 G N 0.785 109.393 108.800 -0.319 0.000 2.295 1294 G HA2 -0.209 3.751 3.960 0.000 0.000 0.287 1294 G HA3 -0.209 3.751 3.960 0.000 0.000 0.287 1294 G C 0.964 175.740 174.900 -0.207 0.000 1.055 1294 G CA 0.512 45.490 45.100 -0.202 0.000 0.922 1294 G HN 1.085 nan 8.290 nan 0.000 0.503 1295 G N -2.340 106.294 108.800 -0.277 0.000 2.195 1295 G HA2 -0.052 3.908 3.960 0.000 0.000 0.246 1295 G HA3 -0.052 3.908 3.960 0.000 0.000 0.246 1295 G C 0.459 175.236 174.900 -0.205 0.000 0.984 1295 G CA 0.680 45.686 45.100 -0.157 0.000 0.633 1295 G HN 1.750 nan 8.290 nan 0.000 0.525 1296 S N 0.112 115.559 115.700 -0.422 0.000 2.489 1296 S HA 0.770 5.240 4.470 0.000 0.000 0.291 1296 S C -0.822 173.384 174.600 -0.656 0.000 1.151 1296 S CA -0.335 57.665 58.200 -0.334 0.000 1.082 1296 S CB 0.930 63.969 63.200 -0.269 0.000 1.019 1296 S HN 0.306 nan 8.310 nan 0.000 0.492 1297 F N 2.914 122.759 119.950 -0.176 0.000 2.445 1297 F HA 0.441 4.968 4.527 0.000 0.000 0.348 1297 F C 0.467 176.201 175.800 -0.109 0.000 1.125 1297 F CA -0.852 57.053 58.000 -0.160 0.000 0.983 1297 F CB 1.176 40.082 39.000 -0.156 0.000 1.198 1297 F HN 0.391 nan 8.300 nan 0.000 0.436 1298 N N 1.422 120.116 118.700 -0.010 0.000 2.430 1298 N HA 0.513 5.253 4.740 0.000 0.000 0.298 1298 N C -0.488 175.082 175.510 0.100 0.000 1.130 1298 N CA -0.707 52.358 53.050 0.024 0.000 0.894 1298 N CB 2.197 40.664 38.487 -0.032 0.000 1.209 1298 N HN 0.563 nan 8.380 nan 0.000 0.503 1299 A N 0.521 123.395 122.820 0.090 0.000 3.037 1299 A HA 0.469 4.789 4.320 0.000 0.000 0.272 1299 A C 1.330 179.014 177.584 0.167 0.000 1.723 1299 A CA 0.281 52.387 52.037 0.115 0.000 1.413 1299 A CB -1.396 17.651 19.000 0.078 0.000 1.112 1299 A HN 0.906 nan 8.150 nan 0.000 0.606 1300 G N 1.119 110.083 108.800 0.273 0.000 2.257 1300 G HA2 -0.418 3.542 3.960 0.000 0.000 0.267 1300 G HA3 -0.418 3.542 3.960 0.000 0.000 0.267 1300 G C 1.279 176.261 174.900 0.136 0.000 0.984 1300 G CA 1.607 46.861 45.100 0.257 0.000 0.626 1300 G HN 1.496 nan 8.290 nan 0.000 0.540 1301 T N -0.738 113.877 114.554 0.102 0.000 3.007 1301 T HA 0.058 4.408 4.350 0.000 0.000 0.270 1301 T C 1.508 176.236 174.700 0.046 0.000 1.107 1301 T CA 1.798 63.934 62.100 0.060 0.000 1.118 1301 T CB -0.197 68.695 68.868 0.040 0.000 0.889 1301 T HN 0.606 nan 8.240 nan 0.000 0.506 1302 D N 0.413 120.852 120.400 0.065 0.000 2.368 1302 D HA 0.227 4.867 4.640 0.000 0.000 0.218 1302 D C 0.216 176.598 176.300 0.137 0.000 1.112 1302 D CA -0.468 53.579 54.000 0.078 0.000 0.834 1302 D CB -0.276 40.532 40.800 0.014 0.000 0.953 1302 D HN 0.471 nan 8.370 nan 0.000 0.505 1303 I N 0.429 121.036 120.570 0.061 0.000 2.545 1303 I HA 0.222 4.392 4.170 0.000 0.000 0.292 1303 I C 0.642 176.708 176.117 -0.086 0.000 1.040 1303 I CA -0.881 60.383 61.300 -0.061 0.000 1.068 1303 I CB 2.124 40.023 38.000 -0.168 0.000 1.251 1303 I HN -0.271 nan 8.210 nan 0.000 0.424 1304 N N 3.700 122.301 118.700 -0.165 0.000 2.197 1304 N HA 0.013 4.753 4.740 0.000 0.000 0.184 1304 N C -0.591 174.921 175.510 0.004 0.000 1.030 1304 N CA 1.373 54.369 53.050 -0.090 0.000 0.851 1304 N CB 0.285 38.676 38.487 -0.159 0.000 1.003 1304 N HN 0.633 nan 8.380 nan 0.000 0.430 1305 Y N -1.940 118.277 120.300 -0.139 0.000 2.713 1305 Y HA 0.630 5.180 4.550 0.000 0.000 0.335 1305 Y C -1.783 173.933 175.900 -0.306 0.000 1.222 1305 Y CA -1.429 56.570 58.100 -0.168 0.000 1.061 1305 Y CB 0.475 38.879 38.460 -0.094 0.000 1.314 1305 Y HN -0.277 nan 8.280 nan 0.000 0.453 1306 L N 1.692 122.829 121.223 -0.144 0.000 2.333 1306 L HA 0.929 5.269 4.340 0.000 0.000 0.263 1306 L C -0.095 176.633 176.870 -0.237 0.000 1.014 1306 L CA -0.543 53.969 54.840 -0.547 0.000 0.820 1306 L CB 2.205 43.428 42.059 -1.393 0.000 1.352 1306 L HN 0.902 nan 8.230 nan 0.000 0.421 1307 S N -0.175 115.301 115.700 -0.373 0.000 2.636 1307 S HA 0.575 5.045 4.470 0.000 0.000 0.266 1307 S C -2.102 172.392 174.600 -0.178 0.000 1.147 1307 S CA -0.630 57.548 58.200 -0.036 0.000 0.815 1307 S CB 1.536 64.749 63.200 0.022 0.000 1.119 1307 S HN 0.577 nan 8.310 nan 0.000 0.470 1308 Q N 1.126 120.935 119.800 0.015 0.000 2.321 1308 Q HA 0.542 4.882 4.340 0.000 0.000 0.270 1308 Q C -1.016 175.005 176.000 0.035 0.000 1.032 1308 Q CA -0.598 55.239 55.803 0.056 0.000 0.784 1308 Q CB 2.354 31.177 28.738 0.142 0.000 1.264 1308 Q HN 0.558 nan 8.270 nan 0.000 0.448 1309 R N 1.019 121.542 120.500 0.038 0.000 2.686 1309 R HA 0.547 4.887 4.340 0.000 0.000 0.283 1309 R C -1.190 175.120 176.300 0.017 0.000 0.978 1309 R CA -0.339 55.771 56.100 0.016 0.000 0.897 1309 R CB 1.736 32.038 30.300 0.003 0.000 1.192 1309 R HN 0.699 nan 8.270 nan 0.000 0.457 1310 T N 0.766 115.320 114.554 0.001 0.000 2.794 1310 T HA 0.594 4.944 4.350 0.000 0.000 0.280 1310 T C 0.245 174.940 174.700 -0.008 0.000 0.987 1310 T CA -0.752 61.344 62.100 -0.006 0.000 0.993 1310 T CB 1.671 70.532 68.868 -0.013 0.000 0.939 1310 T HN 0.695 nan 8.240 nan 0.000 0.449 1311 A N 2.511 125.325 122.820 -0.009 0.000 2.566 1311 A HA 0.455 4.775 4.320 0.000 0.000 0.245 1311 A C 1.463 179.041 177.584 -0.010 0.000 1.056 1311 A CA 0.566 52.598 52.037 -0.009 0.000 0.757 1311 A CB -1.949 17.045 19.000 -0.009 0.000 0.979 1311 A HN 2.487 nan 8.150 nan 0.000 0.508 1312 N N -1.036 117.658 118.700 -0.009 0.000 2.756 1312 N HA 0.236 4.976 4.740 0.000 0.000 0.248 1312 N C 0.325 175.829 175.510 -0.010 0.000 1.062 1312 N CA 2.089 55.133 53.050 -0.009 0.000 0.696 1312 N CB -2.244 36.238 38.487 -0.009 0.000 0.946 1312 N HN 2.497 nan 8.380 nan 0.000 0.548 1313 F N -1.945 117.999 119.950 -0.011 0.000 3.281 1313 F HA 0.753 5.280 4.527 0.000 0.000 0.339 1313 F C 1.330 177.122 175.800 -0.014 0.000 1.275 1313 F CA 1.313 59.306 58.000 -0.012 0.000 0.843 1313 F CB -0.830 38.163 39.000 -0.011 0.000 1.717 1313 F HN 1.986 nan 8.300 nan 0.000 0.480 1314 S N 0.175 115.866 115.700 -0.014 0.000 3.160 1314 S HA -0.201 4.269 4.470 0.000 0.000 0.634 1314 S C -0.365 174.224 174.600 -0.018 0.000 2.861 1314 S CA 1.514 59.703 58.200 -0.019 0.000 3.097 1314 S CB -1.141 62.043 63.200 -0.025 0.000 0.331 1314 S HN 1.120 nan 8.310 nan 0.000 1.767 1315 D N 0.781 121.165 120.400 -0.026 0.000 2.302 1315 D HA 0.461 5.101 4.640 0.000 0.000 0.248 1315 D C 1.216 177.505 176.300 -0.017 0.000 1.094 1315 D CA 0.407 54.394 54.000 -0.021 0.000 0.897 1315 D CB 1.047 41.822 40.800 -0.040 0.000 1.200 1315 D HN 0.639 nan 8.370 nan 0.000 0.429 1316 T N -1.217 113.335 114.554 -0.004 0.000 3.044 1316 T HA 0.045 4.395 4.350 0.000 0.000 0.250 1316 T C 0.691 175.388 174.700 -0.004 0.000 1.081 1316 T CA -0.367 61.729 62.100 -0.007 0.000 1.040 1316 T CB -0.058 68.806 68.868 -0.006 0.000 0.962 1316 T HN 0.596 nan 8.240 nan 0.000 0.506 1317 R N 0.282 120.792 120.500 0.017 0.000 2.747 1317 R HA 0.304 4.644 4.340 0.000 0.000 0.200 1317 R C -0.948 175.420 176.300 0.113 0.000 1.438 1317 R CA -0.653 55.469 56.100 0.037 0.000 1.334 1317 R CB -0.334 29.963 30.300 -0.005 0.000 1.523 1317 R HN 0.084 nan 8.270 nan 0.000 0.741 1318 K N 3.009 123.430 120.400 0.036 0.000 2.310 1318 K HA 0.324 4.644 4.320 0.000 0.000 0.290 1318 K C -0.968 175.650 176.600 0.030 0.000 1.077 1318 K CA -0.178 56.105 56.287 -0.007 0.000 0.922 1318 K CB 0.522 32.907 32.500 -0.192 0.000 1.057 1318 K HN 0.453 nan 8.250 nan 0.000 0.479 1319 L N 3.322 124.650 121.223 0.175 0.000 2.388 1319 L HA 0.339 4.679 4.340 0.000 0.000 0.264 1319 L C -0.425 176.573 176.870 0.214 0.000 0.998 1319 L CA -1.368 53.593 54.840 0.202 0.000 0.817 1319 L CB 2.051 44.303 42.059 0.321 0.000 1.338 1319 L HN 0.746 nan 8.230 nan 0.000 0.414 1320 D N 0.516 121.014 120.400 0.164 0.000 2.368 1320 D HA 0.135 4.775 4.640 0.000 0.000 0.240 1320 D C -2.110 174.296 176.300 0.178 0.000 1.169 1320 D CA -1.149 52.941 54.000 0.150 0.000 0.906 1320 D CB 0.620 41.489 40.800 0.114 0.000 1.187 1320 D HN 0.195 nan 8.370 nan 0.000 0.435 1321 P HA -0.200 nan 4.420 nan 0.000 0.216 1321 P C 1.002 178.463 177.300 0.268 0.000 1.153 1321 P CA 1.533 64.729 63.100 0.159 0.000 0.858 1321 P CB 0.110 31.872 31.700 0.105 0.000 0.789 1322 K N -1.200 119.320 120.400 0.200 0.000 2.097 1322 K HA -0.054 4.266 4.320 0.000 0.000 0.205 1322 K C 1.955 178.670 176.600 0.192 0.000 1.050 1322 K CA 1.601 57.999 56.287 0.185 0.000 0.938 1322 K CB -0.702 31.874 32.500 0.127 0.000 0.718 1322 K HN 0.157 nan 8.250 nan 0.000 0.442 1323 T N 0.519 115.185 114.554 0.186 0.000 2.904 1323 T HA -0.149 4.201 4.350 0.000 0.000 0.267 1323 T C 1.179 176.002 174.700 0.205 0.000 1.059 1323 T CA 0.649 62.844 62.100 0.158 0.000 1.137 1323 T CB -0.133 68.810 68.868 0.125 0.000 0.879 1323 T HN 0.430 nan 8.240 nan 0.000 0.467 1324 W N 2.149 123.508 121.300 0.098 0.000 2.381 1324 W HA -0.062 4.598 4.660 0.000 0.000 0.301 1324 W C 2.446 179.063 176.519 0.162 0.000 1.205 1324 W CA 1.217 58.638 57.345 0.125 0.000 1.285 1324 W CB -0.563 28.981 29.460 0.140 0.000 1.133 1324 W HN 0.289 nan 8.180 nan 0.000 0.521 1325 A N 0.883 123.975 122.820 0.453 0.000 1.972 1325 A HA -0.059 4.261 4.320 0.000 0.000 0.219 1325 A C 2.178 179.861 177.584 0.164 0.000 1.169 1325 A CA 2.469 54.699 52.037 0.321 0.000 0.635 1325 A CB -1.194 17.972 19.000 0.278 0.000 0.810 1325 A HN 0.287 nan 8.150 nan 0.000 0.446 1326 A N -0.737 122.160 122.820 0.128 0.000 1.902 1326 A HA -0.195 4.125 4.320 0.000 0.000 0.217 1326 A C 2.095 179.699 177.584 0.033 0.000 1.181 1326 A CA 1.691 53.771 52.037 0.071 0.000 0.623 1326 A CB -0.463 18.574 19.000 0.061 0.000 0.818 1326 A HN 0.509 nan 8.150 nan 0.000 0.443 1327 Q N -0.441 119.353 119.800 -0.011 0.000 2.124 1327 Q HA -0.129 4.211 4.340 0.000 0.000 0.202 1327 Q C 2.114 178.108 176.000 -0.011 0.000 0.977 1327 Q CA 2.012 57.777 55.803 -0.063 0.000 0.850 1327 Q CB -1.325 27.289 28.738 -0.207 0.000 0.901 1327 Q HN 0.637 nan 8.270 nan 0.000 0.429 1328 T N 1.239 115.813 114.554 0.033 0.000 2.821 1328 T HA -0.073 4.277 4.350 0.000 0.000 0.267 1328 T C 1.819 176.564 174.700 0.076 0.000 1.046 1328 T CA 0.817 62.994 62.100 0.128 0.000 1.139 1328 T CB -0.061 68.933 68.868 0.210 0.000 0.871 1328 T HN 0.268 nan 8.240 nan 0.000 0.454 1329 R N 0.726 121.261 120.500 0.058 0.000 2.159 1329 R HA 0.016 4.356 4.340 0.000 0.000 0.237 1329 R C 2.446 178.760 176.300 0.024 0.000 1.131 1329 R CA 0.795 56.916 56.100 0.035 0.000 0.982 1329 R CB -0.083 30.239 30.300 0.038 0.000 0.868 1329 R HN 0.242 nan 8.270 nan 0.000 0.453 1330 R N 0.152 120.668 120.500 0.026 0.000 2.235 1330 R HA 0.015 4.355 4.340 0.000 0.000 0.213 1330 R C 1.851 178.166 176.300 0.025 0.000 1.059 1330 R CA 0.696 56.807 56.100 0.019 0.000 0.997 1330 R CB 0.030 30.338 30.300 0.013 0.000 0.884 1330 R HN 0.169 nan 8.270 nan 0.000 0.462 1331 R N 0.454 120.979 120.500 0.041 0.000 2.146 1331 R HA 0.151 4.492 4.340 0.000 0.000 0.206 1331 R C 2.031 178.327 176.300 -0.008 0.000 1.049 1331 R CA 0.775 56.903 56.100 0.048 0.000 1.029 1331 R CB 0.026 30.412 30.300 0.143 0.000 0.949 1331 R HN 0.314 nan 8.270 nan 0.000 0.471 1332 I N -3.939 116.613 120.570 -0.030 0.000 4.050 1332 I HA 0.479 4.649 4.170 0.000 0.000 0.327 1332 I C 0.483 176.582 176.117 -0.031 0.000 1.473 1332 I CA 0.098 61.364 61.300 -0.056 0.000 1.124 1332 I CB 0.889 38.819 38.000 -0.117 0.000 1.129 1332 I HN -0.036 nan 8.210 nan 0.000 0.428 1333 A N 0.255 123.067 122.820 -0.014 0.000 2.861 1333 A HA -0.216 4.104 4.320 0.000 0.000 0.261 1333 A C 0.644 178.226 177.584 -0.003 0.000 1.351 1333 A CA 1.686 53.718 52.037 -0.007 0.000 0.904 1333 A CB -2.304 16.688 19.000 -0.013 0.000 1.076 1333 A HN 0.815 nan 8.150 nan 0.000 0.729 1334 T N -1.868 112.685 114.554 -0.003 0.000 2.654 1334 T HA 0.493 4.843 4.350 0.000 0.000 0.303 1334 T C -2.141 172.559 174.700 0.001 0.000 1.656 1334 T CA 0.134 62.235 62.100 0.002 0.000 0.971 1334 T CB 0.928 69.796 68.868 0.000 0.000 1.811 1334 T HN 0.283 nan 8.240 nan 0.000 0.483 1335 D N 0.250 120.651 120.400 0.002 0.000 2.181 1335 D HA 0.815 5.455 4.640 0.000 0.000 0.248 1335 D C -0.648 175.619 176.300 -0.055 0.000 1.020 1335 D CA 0.287 54.284 54.000 -0.005 0.000 0.891 1335 D CB 1.198 42.005 40.800 0.012 0.000 1.187 1335 D HN 0.437 nan 8.370 nan 0.000 0.443 1336 F N -0.885 118.998 119.950 -0.113 0.000 0.000 1336 F HA 0.527 5.054 4.527 0.000 0.000 0.000 1336 F C -1.643 nan 175.800 nan 0.000 0.000 1336 F CA -0.412 57.444 58.000 -0.241 0.000 0.000 1336 F CB 0.520 39.272 39.000 -0.412 0.000 0.000 1336 F HN 0.530 nan 8.300 nan 0.000 0.000 1337 P HA 0.484 4.904 4.420 0.000 0.000 0.000 1337 P C -2.188 175.081 177.300 -0.052 0.000 0.000 1337 P CA -1.275 nan 63.100 nan 0.000 0.000 1337 P CB 1.648 nan 31.700 nan 0.000 0.000 1338 K N 0.158 120.558 120.400 -0.000 0.000 2.530 1338 K HA 0.379 4.699 4.320 0.000 0.000 0.280 1338 K C 1.262 177.899 176.600 0.062 0.000 1.004 1338 K CA 1.630 57.928 56.287 0.017 0.000 1.071 1338 K CB 0.102 32.641 32.500 0.065 0.000 0.876 1338 K HN 1.715 nan 8.250 nan 0.000 0.487 1339 G N 1.178 109.967 108.800 -0.018 0.000 2.179 1339 G HA2 -0.252 3.708 3.960 0.000 0.000 0.260 1339 G HA3 -0.252 3.708 3.960 0.000 0.000 0.260 1339 G C 0.019 174.864 174.900 -0.091 0.000 0.977 1339 G CA 0.041 45.203 45.100 0.103 0.000 0.641 1339 G HN 0.428 nan 8.290 nan 0.000 0.533 1340 V N 1.033 120.720 119.914 -0.379 0.000 2.370 1340 V HA 0.645 4.765 4.120 0.000 0.000 0.279 1340 V C -0.299 175.452 176.094 -0.572 0.000 1.029 1340 V CA -0.766 61.346 62.300 -0.314 0.000 0.870 1340 V CB 0.820 32.435 31.823 -0.346 0.000 0.984 1340 V HN 0.252 nan 8.190 nan 0.000 0.451 1341 Y N 4.260 124.664 120.300 0.174 0.000 2.376 1341 Y HA 0.603 5.153 4.550 0.000 0.000 0.340 1341 Y C -0.486 175.685 175.900 0.452 0.000 0.965 1341 Y CA -0.773 57.515 58.100 0.313 0.000 1.078 1341 Y CB 1.747 40.311 38.460 0.174 0.000 1.193 1341 Y HN 0.639 nan 8.280 nan 0.000 0.452 1342 Y N 2.441 123.082 120.300 0.568 0.000 2.468 1342 Y HA 0.681 5.231 4.550 0.000 0.000 0.342 1342 Y C -1.126 175.057 175.900 0.472 0.000 1.021 1342 Y CA -1.795 56.545 58.100 0.400 0.000 1.079 1342 Y CB 1.698 40.268 38.460 0.183 0.000 1.226 1342 Y HN 0.798 nan 8.280 nan 0.000 0.460 1343 C N 6.549 125.570 119.300 -0.465 0.000 2.505 1343 C HA 0.366 4.826 4.460 0.000 0.000 0.342 1343 C C -1.390 173.179 174.990 -0.702 0.000 1.121 1343 C CA -0.700 58.092 59.018 -0.377 0.000 1.306 1343 C CB -0.020 27.896 27.740 0.293 0.000 1.897 1343 C HN 0.887 nan 8.230 nan 0.000 0.446 1344 D N 3.975 124.042 120.400 -0.555 0.000 2.274 1344 D HA 0.323 4.963 4.640 0.000 0.000 0.239 1344 D C 0.033 176.280 176.300 -0.088 0.000 1.104 1344 D CA 0.236 54.087 54.000 -0.249 0.000 0.840 1344 D CB 0.791 41.578 40.800 -0.022 0.000 1.100 1344 D HN 0.709 nan 8.370 nan 0.000 0.477 1345 N N 3.442 122.135 118.700 -0.012 0.000 2.451 1345 N HA 0.101 4.841 4.740 0.000 0.000 0.271 1345 N C 1.083 176.610 175.510 0.028 0.000 1.410 1345 N CA -0.159 52.897 53.050 0.010 0.000 0.884 1345 N CB 0.711 39.214 38.487 0.027 0.000 1.332 1345 N HN 0.358 nan 8.380 nan 0.000 0.498 1346 R N 0.475 121.000 120.500 0.042 0.000 2.081 1346 R HA -0.043 4.297 4.340 0.000 0.000 0.235 1346 R C 0.773 177.081 176.300 0.013 0.000 1.131 1346 R CA 1.145 57.267 56.100 0.037 0.000 0.960 1346 R CB 0.100 30.457 30.300 0.095 0.000 0.856 1346 R HN 0.117 nan 8.270 nan 0.000 0.436 1347 D N 0.387 120.798 120.400 0.018 0.000 2.224 1347 D HA -0.041 4.599 4.640 0.000 0.000 0.205 1347 D C 0.183 176.486 176.300 0.005 0.000 0.965 1347 D CA 1.252 55.258 54.000 0.010 0.000 0.852 1347 D CB 0.241 41.048 40.800 0.011 0.000 0.947 1347 D HN 0.115 nan 8.370 nan 0.000 0.494 1348 K N 0.823 121.227 120.400 0.007 0.000 2.752 1348 K HA 0.287 4.607 4.320 0.000 0.000 0.199 1348 K C -2.754 173.857 176.600 0.019 0.000 1.069 1348 K CA -1.426 54.867 56.287 0.011 0.000 1.033 1348 K CB 2.479 34.984 32.500 0.007 0.000 1.229 1348 K HN -0.127 nan 8.250 nan 0.000 0.572 1349 P HA -0.027 nan 4.420 nan 0.000 0.266 1349 P C -0.095 177.256 177.300 0.084 0.000 1.195 1349 P CA -0.195 62.938 63.100 0.056 0.000 0.768 1349 P CB 0.461 32.189 31.700 0.047 0.000 0.838 1350 I N 3.748 124.359 120.570 0.067 0.000 2.587 1350 I HA -0.019 4.151 4.170 0.000 0.000 0.284 1350 I C -0.047 176.197 176.117 0.211 0.000 1.134 1350 I CA 0.414 61.702 61.300 -0.020 0.000 1.410 1350 I CB -1.164 36.579 38.000 -0.429 0.000 1.392 1350 I HN 0.419 nan 8.210 nan 0.000 0.545 1351 Y N 6.243 126.547 120.300 0.007 0.000 2.317 1351 Y HA 0.159 4.709 4.550 0.000 0.000 0.329 1351 Y C 1.097 177.003 175.900 0.010 0.000 1.101 1351 Y CA -0.873 57.257 58.100 0.049 0.000 1.228 1351 Y CB 1.345 39.836 38.460 0.051 0.000 1.123 1351 Y HN 0.725 nan 8.280 nan 0.000 0.457 1352 T N 1.366 115.792 114.554 -0.215 0.000 2.770 1352 T HA 0.063 4.413 4.350 0.000 0.000 0.263 1352 T C 1.944 176.457 174.700 -0.312 0.000 1.039 1352 T CA 2.369 64.334 62.100 -0.224 0.000 1.142 1352 T CB -0.626 68.139 68.868 -0.172 0.000 0.868 1352 T HN 1.591 nan 8.240 nan 0.000 0.435 1353 L N -2.135 118.801 121.223 -0.478 0.000 3.211 1353 L HA 0.126 4.466 4.340 0.000 0.000 0.417 1353 L C 0.847 177.608 176.870 -0.180 0.000 0.707 1353 L CA 2.508 57.123 54.840 -0.376 0.000 2.938 1353 L CB -2.631 39.264 42.059 -0.273 0.000 0.825 1353 L HN 1.425 nan 8.230 nan 0.000 0.704 1354 Q N -1.851 117.867 119.800 -0.137 0.000 2.310 1354 Q HA 0.671 5.011 4.340 0.000 0.000 0.270 1354 Q C -0.493 175.488 176.000 -0.032 0.000 1.025 1354 Q CA -0.278 55.492 55.803 -0.054 0.000 0.772 1354 Q CB 0.849 29.565 28.738 -0.038 0.000 1.253 1354 Q HN 1.701 nan 8.270 nan 0.000 0.450 1355 Y N 1.556 121.804 120.300 -0.088 0.000 2.852 1355 Y HA 0.238 4.788 4.550 0.000 0.000 0.343 1355 Y C 1.609 177.474 175.900 -0.057 0.000 1.280 1355 Y CA 2.277 60.330 58.100 -0.079 0.000 1.604 1355 Y CB 0.139 38.548 38.460 -0.084 0.000 1.216 1355 Y HN 1.374 nan 8.280 nan 0.000 0.541 1356 G N 2.064 110.678 108.800 -0.308 0.000 2.157 1356 G HA2 -0.429 3.531 3.960 0.000 0.000 0.248 1356 G HA3 -0.429 3.531 3.960 0.000 0.000 0.248 1356 G C 0.801 175.668 174.900 -0.055 0.000 0.979 1356 G CA 0.690 45.710 45.100 -0.133 0.000 0.650 1356 G HN 1.080 nan 8.290 nan 0.000 0.529 1357 N N -1.052 117.610 118.700 -0.064 0.000 2.364 1357 N HA 0.320 5.060 4.740 0.000 0.000 0.183 1357 N C 0.987 176.479 175.510 -0.031 0.000 1.022 1357 N CA 2.027 55.051 53.050 -0.043 0.000 0.883 1357 N CB 0.151 38.604 38.487 -0.058 0.000 0.965 1357 N HN 1.060 nan 8.380 nan 0.000 0.438 1358 V N -1.051 118.848 119.914 -0.025 0.000 2.789 1358 V HA 0.821 4.941 4.120 0.000 0.000 0.311 1358 V C 0.371 176.571 176.094 0.176 0.000 1.073 1358 V CA -0.657 61.663 62.300 0.032 0.000 0.921 1358 V CB 1.506 33.296 31.823 -0.055 0.000 1.009 1358 V HN 0.526 nan 8.190 nan 0.000 0.426 1359 G N 1.609 110.524 108.800 0.192 0.000 2.619 1359 G HA2 0.674 4.634 3.960 0.000 0.000 0.296 1359 G HA3 0.674 4.634 3.960 0.000 0.000 0.296 1359 G C -1.938 173.111 174.900 0.248 0.000 1.334 1359 G CA -0.638 44.565 45.100 0.171 0.000 0.934 1359 G HN 0.488 nan 8.290 nan 0.000 0.476 1360 F N 1.842 121.793 119.950 0.002 0.000 2.410 1360 F HA 0.636 5.163 4.527 0.000 0.000 0.349 1360 F C -0.219 175.560 175.800 -0.034 0.000 1.117 1360 F CA -0.512 57.518 58.000 0.050 0.000 1.104 1360 F CB 1.648 40.620 39.000 -0.048 0.000 1.122 1360 F HN 0.271 nan 8.300 nan 0.000 0.483 1361 V N 6.541 126.151 119.914 -0.508 0.000 2.513 1361 V HA 0.588 4.708 4.120 0.000 0.000 0.299 1361 V C -0.810 175.036 176.094 -0.413 0.000 1.035 1361 V CA -0.872 61.244 62.300 -0.307 0.000 0.889 1361 V CB 1.613 33.343 31.823 -0.156 0.000 0.988 1361 V HN 0.561 nan 8.190 nan 0.000 0.440 1362 V N 3.925 123.706 119.914 -0.222 0.000 2.482 1362 V HA 0.437 4.557 4.120 0.000 0.000 0.295 1362 V C -0.383 175.498 176.094 -0.355 0.000 1.026 1362 V CA -0.632 61.471 62.300 -0.329 0.000 0.856 1362 V CB 1.936 33.595 31.823 -0.274 0.000 1.001 1362 V HN 0.896 nan 8.190 nan 0.000 0.424 1363 N N 7.085 125.429 118.700 -0.594 0.000 2.546 1363 N HA 0.371 5.111 4.740 0.000 0.000 0.238 1363 N C -2.728 172.489 175.510 -0.488 0.000 0.984 1363 N CA -1.619 51.065 53.050 -0.610 0.000 0.935 1363 N CB 2.498 40.306 38.487 -1.132 0.000 1.122 1363 N HN 0.333 nan 8.380 nan 0.000 0.510 1364 P HA 0.143 nan 4.420 nan 0.000 0.279 1364 P C 0.201 177.429 177.300 -0.120 0.000 1.239 1364 P CA -0.196 62.767 63.100 -0.229 0.000 0.789 1364 P CB 2.085 33.644 31.700 -0.235 0.000 0.933 1365 K N 1.629 122.003 120.400 -0.044 0.000 2.128 1365 K HA 0.045 4.365 4.320 0.000 0.000 0.202 1365 K C 0.517 177.115 176.600 -0.003 0.000 1.050 1365 K CA 1.038 57.309 56.287 -0.026 0.000 0.966 1365 K CB 0.158 32.654 32.500 -0.008 0.000 0.759 1365 K HN 0.646 nan 8.250 nan 0.000 0.454 1366 T N -1.428 113.145 114.554 0.031 0.000 2.886 1366 T HA 0.517 4.867 4.350 0.000 0.000 0.292 1366 T C -0.860 173.870 174.700 0.051 0.000 1.012 1366 T CA -0.928 61.181 62.100 0.015 0.000 0.982 1366 T CB 2.022 70.882 68.868 -0.014 0.000 1.018 1366 T HN -0.181 nan 8.240 nan 0.000 0.451 1367 V N 4.148 124.073 119.914 0.019 0.000 2.443 1367 V HA 0.467 4.587 4.120 0.000 0.000 0.293 1367 V C -0.322 175.753 176.094 -0.033 0.000 1.021 1367 V CA -1.029 61.289 62.300 0.031 0.000 0.848 1367 V CB 1.311 33.143 31.823 0.015 0.000 0.998 1367 V HN 0.900 nan 8.190 nan 0.000 0.424 1368 N N 2.557 121.209 118.700 -0.079 0.000 2.413 1368 N HA 0.305 5.045 4.740 0.000 0.000 0.266 1368 N C -0.021 175.446 175.510 -0.072 0.000 1.238 1368 N CA -0.654 52.340 53.050 -0.092 0.000 0.972 1368 N CB 0.519 38.920 38.487 -0.143 0.000 1.210 1368 N HN 0.541 nan 8.380 nan 0.000 0.547 1369 Q N 1.222 120.984 119.800 -0.063 0.000 2.337 1369 Q HA 0.066 4.406 4.340 0.000 0.000 0.270 1369 Q C -0.095 175.874 176.000 -0.052 0.000 1.002 1369 Q CA 0.368 56.144 55.803 -0.046 0.000 0.888 1369 Q CB 0.095 28.811 28.738 -0.036 0.000 1.222 1369 Q HN 0.471 nan 8.270 nan 0.000 0.400 1370 N N -1.128 117.550 118.700 -0.036 0.000 2.776 1370 N HA -0.178 4.562 4.740 0.000 0.000 0.249 1370 N C -0.731 174.754 175.510 -0.041 0.000 1.111 1370 N CA 0.990 54.023 53.050 -0.029 0.000 0.711 1370 N CB -1.288 37.184 38.487 -0.024 0.000 1.065 1370 N HN 0.676 nan 8.380 nan 0.000 0.556 1371 A N 0.775 123.569 122.820 -0.043 0.000 2.351 1371 A HA 0.702 5.022 4.320 0.000 0.000 0.257 1371 A C 0.869 178.452 177.584 -0.001 0.000 1.087 1371 A CA 0.175 52.202 52.037 -0.017 0.000 0.798 1371 A CB 0.675 19.704 19.000 0.047 0.000 1.033 1371 A HN 0.478 nan 8.150 nan 0.000 0.488 1372 R N 0.557 121.092 120.500 0.058 0.000 2.709 1372 R HA 0.578 4.918 4.340 0.000 0.000 0.270 1372 R C -2.141 174.229 176.300 0.115 0.000 1.038 1372 R CA -0.928 55.191 56.100 0.032 0.000 0.872 1372 R CB 0.789 31.129 30.300 0.066 0.000 1.259 1372 R HN 0.452 nan 8.270 nan 0.000 0.473 1373 L N 2.515 123.795 121.223 0.094 0.000 2.296 1373 L HA 0.486 4.826 4.340 0.000 0.000 0.286 1373 L C -0.679 176.305 176.870 0.191 0.000 1.023 1373 L CA -1.046 53.886 54.840 0.153 0.000 0.812 1373 L CB 1.648 43.801 42.059 0.156 0.000 1.223 1373 L HN 0.447 nan 8.230 nan 0.000 0.421 1374 L N 4.769 126.135 121.223 0.238 0.000 2.262 1374 L HA 0.421 4.761 4.340 0.000 0.000 0.288 1374 L C -0.100 176.897 176.870 0.210 0.000 1.035 1374 L CA -0.284 54.730 54.840 0.291 0.000 0.820 1374 L CB 1.128 43.479 42.059 0.488 0.000 1.204 1374 L HN 0.487 nan 8.230 nan 0.000 0.424 1375 M N 2.408 122.030 119.600 0.037 0.000 2.367 1375 M HA 0.548 5.028 4.480 0.000 0.000 0.339 1375 M C 0.377 176.412 176.300 -0.442 0.000 1.177 1375 M CA -0.382 54.761 55.300 -0.261 0.000 1.068 1375 M CB 1.450 33.845 32.600 -0.341 0.000 1.602 1375 M HN 0.564 nan 8.290 nan 0.000 0.457 1376 G N 2.449 110.803 108.800 -0.742 0.000 2.687 1376 G HA2 0.695 4.655 3.960 0.000 0.000 0.301 1376 G HA3 0.695 4.655 3.960 0.000 0.000 0.301 1376 G C -2.033 172.424 174.900 -0.738 0.000 1.416 1376 G CA -0.285 44.165 45.100 -1.084 0.000 1.005 1376 G HN 0.581 nan 8.290 nan 0.000 0.509 1377 Y N 0.194 120.515 120.300 0.036 0.000 2.499 1377 Y HA 0.568 5.118 4.550 0.000 0.000 0.347 1377 Y C 0.285 176.429 175.900 0.406 0.000 0.987 1377 Y CA -0.910 57.414 58.100 0.372 0.000 1.044 1377 Y CB 2.737 41.535 38.460 0.564 0.000 1.245 1377 Y HN 0.420 nan 8.280 nan 0.000 0.461 1378 E N 2.366 122.882 120.200 0.527 0.000 2.176 1378 E HA 0.418 4.768 4.350 0.000 0.000 0.267 1378 E C -1.724 175.022 176.600 0.242 0.000 0.893 1378 E CA -0.758 55.789 56.400 0.244 0.000 0.761 1378 E CB 1.692 31.566 29.700 0.290 0.000 1.133 1378 E HN 0.560 nan 8.360 nan 0.000 0.409 1379 Y N 0.853 121.140 120.300 -0.022 0.000 2.670 1379 Y HA 0.588 5.138 4.550 0.000 0.000 0.334 1379 Y C -1.704 174.131 175.900 -0.109 0.000 1.185 1379 Y CA -1.446 56.547 58.100 -0.179 0.000 1.053 1379 Y CB 1.019 39.223 38.460 -0.427 0.000 1.298 1379 Y HN 0.307 nan 8.280 nan 0.000 0.459 1380 F N 0.647 120.695 119.950 0.163 0.000 2.522 1380 F HA 0.716 5.243 4.527 0.000 0.000 0.324 1380 F C 0.116 175.968 175.800 0.086 0.000 1.077 1380 F CA -0.945 57.099 58.000 0.074 0.000 0.944 1380 F CB 2.565 41.559 39.000 -0.010 0.000 1.175 1380 F HN 0.723 nan 8.300 nan 0.000 0.468 1381 T N 1.122 115.821 114.554 0.242 0.000 2.957 1381 T HA 0.278 4.628 4.350 0.000 0.000 0.336 1381 T C -1.063 173.687 174.700 0.083 0.000 1.462 1381 T CA -0.778 61.412 62.100 0.151 0.000 1.073 1381 T CB 1.215 70.130 68.868 0.078 0.000 1.319 1381 T HN 0.694 nan 8.240 nan 0.000 0.485 1382 S N 3.245 118.993 115.700 0.080 0.000 2.580 1382 S HA 0.357 4.827 4.470 0.000 0.000 0.274 1382 S C 1.255 175.882 174.600 0.044 0.000 1.329 1382 S CA -0.574 57.651 58.200 0.042 0.000 1.036 1382 S CB 0.950 64.176 63.200 0.043 0.000 0.919 1382 S HN 0.805 nan 8.310 nan 0.000 0.515 1383 R N 1.618 122.131 120.500 0.022 0.000 2.193 1383 R HA 0.044 4.384 4.340 0.000 0.000 0.229 1383 R C 1.640 177.964 176.300 0.039 0.000 1.110 1383 R CA 1.038 57.151 56.100 0.021 0.000 0.988 1383 R CB -1.759 28.553 30.300 0.021 0.000 0.871 1383 R HN 1.083 nan 8.270 nan 0.000 0.458 1384 T N -0.549 114.031 114.554 0.043 0.000 0.543 1384 T HA -0.187 4.163 4.350 0.000 0.000 0.774 1384 T C 0.286 175.010 174.700 0.040 0.000 0.992 1384 T CA 1.755 63.883 62.100 0.046 0.000 4.076 1384 T CB -0.833 68.071 68.868 0.060 0.000 2.302 1384 T HN 0.572 nan 8.240 nan 0.000 0.398 1385 E N 0.000 120.223 120.200 0.038 0.000 2.725 1385 E HA 0.000 4.350 4.350 0.000 0.000 0.291 1385 E CA 0.000 nan 56.400 nan 0.000 0.976 1385 E CB 0.000 nan 29.700 nan 0.000 0.812 1385 E HN 0.000 nan 8.360 nan 0.000 0.440