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 1gw8_1_D DATA FIRST_RESID 1015 DATA SEQUENCE ALRNQAMAAN 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 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 A HA 0.000 nan 4.320 nan 0.000 0.244 1015 A C 0.000 177.585 177.584 0.002 0.000 1.274 1015 A CA 0.000 52.040 52.037 0.004 0.000 0.836 1015 A CB 0.000 19.003 19.000 0.005 0.000 0.831 1016 L N 0.635 121.860 121.223 0.002 0.000 2.749 1016 L HA 0.383 4.723 4.340 0.000 0.000 0.245 1016 L C 2.201 179.070 176.870 -0.001 0.000 1.156 1016 L CA 2.412 57.253 54.840 0.001 0.000 0.890 1016 L CB -2.541 39.519 42.059 0.002 0.000 1.036 1016 L HN 1.281 nan 8.230 nan 0.000 0.441 1017 R N -0.229 120.270 120.500 -0.002 0.000 2.062 1017 R HA -0.127 4.213 4.340 0.000 0.000 0.229 1017 R C 2.403 178.697 176.300 -0.010 0.000 1.128 1017 R CA 2.338 58.434 56.100 -0.006 0.000 0.960 1017 R CB -2.133 28.163 30.300 -0.006 0.000 0.855 1017 R HN 0.971 nan 8.270 nan 0.000 0.432 1018 N N 1.521 120.216 118.700 -0.008 0.000 2.091 1018 N HA -0.325 4.415 4.740 0.000 0.000 0.193 1018 N C 2.185 177.689 175.510 -0.010 0.000 1.021 1018 N CA 1.962 55.006 53.050 -0.010 0.000 0.862 1018 N CB -0.561 37.922 38.487 -0.006 0.000 1.018 1018 N HN 0.835 nan 8.380 nan 0.000 0.429 1019 Q N -0.533 119.263 119.800 -0.007 0.000 2.079 1019 Q HA 0.070 4.410 4.340 0.000 0.000 0.200 1019 Q C 2.821 178.817 176.000 -0.007 0.000 0.974 1019 Q CA 1.331 57.131 55.803 -0.006 0.000 0.840 1019 Q CB -0.221 28.516 28.738 -0.003 0.000 0.898 1019 Q HN 0.749 nan 8.270 nan 0.000 0.430 1020 A N 1.262 124.077 122.820 -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 53.496 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 -0.606 118.980 119.600 -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 1.344 56.625 55.300 -0.032 0.000 1.122 1021 M CB -0.516 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 0.667 123.475 122.820 -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 2.041 54.069 52.037 -0.015 0.000 0.623 1022 A CB -0.897 18.097 19.000 -0.011 0.000 0.818 1022 A HN 0.491 nan 8.150 nan 0.000 0.443 1023 A N 0.215 123.029 122.820 -0.011 0.000 1.873 1023 A HA -0.195 4.125 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 2.049 54.082 52.037 -0.007 0.000 0.616 1023 A CB -0.849 18.149 19.000 -0.003 0.000 0.823 1023 A HN 0.656 nan 8.150 nan 0.000 0.442 1024 N N -0.272 118.418 118.700 -0.017 0.000 2.036 1024 N HA -0.199 4.541 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 1.899 54.935 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 2.337 179.195 176.870 -0.019 0.000 1.081 1025 L CA 1.782 56.605 54.840 -0.028 0.000 0.752 1025 L CB -1.150 40.892 42.059 -0.028 0.000 0.896 1025 L HN 0.432 nan 8.230 nan 0.000 0.433 1026 Q N -0.916 118.875 119.800 -0.014 0.000 2.079 1026 Q HA -0.187 4.153 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 1.707 57.505 55.803 -0.008 0.000 0.840 1026 Q CB -0.179 28.557 28.738 -0.004 0.000 0.898 1026 Q HN 0.624 nan 8.270 nan 0.000 0.430 1027 A N 1.347 124.164 122.820 -0.005 0.000 1.933 1027 A HA -0.208 4.112 4.320 0.000 0.000 0.218 1027 A C 2.133 179.713 177.584 -0.007 0.000 1.175 1027 A CA 1.458 53.495 52.037 -0.001 0.000 0.628 1027 A CB -0.678 18.324 19.000 0.003 0.000 0.814 1027 A HN 0.435 nan 8.150 nan 0.000 0.444 1028 R N -0.275 120.216 120.500 -0.014 0.000 2.073 1028 R HA -0.187 4.153 4.340 0.000 0.000 0.234 1028 R C 2.286 178.575 176.300 -0.018 0.000 1.134 1028 R CA 1.881 57.969 56.100 -0.019 0.000 0.952 1028 R CB -0.358 29.927 30.300 -0.026 0.000 0.850 1028 R HN 0.695 nan 8.270 nan 0.000 0.433 1029 Q N 0.101 119.891 119.800 -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 -0.014 0.000 0.850 1029 Q CB -0.093 28.637 28.738 -0.012 0.000 0.901 1029 Q HN 0.476 nan 8.270 nan 0.000 0.429 1030 I N 0.167 120.733 120.570 -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 0.746 62.046 61.300 -0.000 0.000 1.385 1030 I CB -0.267 37.738 38.000 0.008 0.000 1.064 1030 I HN 0.008 nan 8.210 nan 0.000 0.414 1031 V N 1.202 121.110 119.914 -0.010 0.000 2.295 1031 V HA -0.275 3.845 4.120 0.000 0.000 0.246 1031 V C 2.406 178.486 176.094 -0.023 0.000 1.049 1031 V CA 1.759 64.047 62.300 -0.020 0.000 1.024 1031 V CB -0.437 31.369 31.823 -0.028 0.000 0.648 1031 V HN 0.360 nan 8.190 nan 0.000 0.447 1032 L N -0.371 120.836 121.223 -0.026 0.000 2.083 1032 L HA -0.238 4.102 4.340 0.000 0.000 0.209 1032 L C 2.623 179.472 176.870 -0.035 0.000 1.083 1032 L CA 1.986 56.803 54.840 -0.038 0.000 0.752 1032 L CB -0.563 41.474 42.059 -0.038 0.000 0.899 1032 L HN 0.439 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 -0.194 4.146 4.340 0.000 0.000 0.198 1033 Q C 2.166 178.169 176.000 0.005 0.000 0.969 1033 Q CA 1.138 56.935 55.803 -0.010 0.000 0.838 1033 Q CB 0.213 28.949 28.738 -0.004 0.000 0.900 1033 Q HN 0.457 nan 8.270 nan 0.000 0.436 1034 Q N 0.300 120.106 119.800 0.010 0.000 2.250 1034 Q HA 0.053 4.393 4.340 0.000 0.000 0.200 1034 Q C 1.240 177.265 176.000 0.042 0.000 0.941 1034 Q CA 0.750 56.569 55.803 0.027 0.000 0.872 1034 Q CB 0.421 29.174 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 0.024 0.000 2.634 1035 S HA 0.318 4.788 4.470 0.000 0.000 0.261 1035 S C -0.579 174.066 174.600 0.074 0.000 1.271 1035 S CA -0.631 57.593 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 0.844 121.123 120.300 -0.035 0.000 2.391 1036 Y HA 0.524 5.074 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 1.905 40.340 38.460 -0.042 0.000 1.199 1036 Y HN 0.517 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 4.720 124.419 119.914 -0.358 0.000 2.760 1038 V HA 0.466 4.586 4.120 0.000 0.000 0.309 1038 V C -0.279 175.624 176.094 -0.319 0.000 1.077 1038 V CA -0.632 61.449 62.300 -0.365 0.000 0.910 1038 V CB 2.344 33.752 31.823 -0.691 0.000 1.008 1038 V HN 0.472 nan 8.190 nan 0.000 0.424 1039 I N 3.701 124.222 120.570 -0.081 0.000 2.418 1039 I HA 0.628 4.798 4.170 0.000 0.000 0.287 1039 I C -0.747 175.486 176.117 0.194 0.000 1.008 1039 I CA -0.094 61.249 61.300 0.072 0.000 1.104 1039 I CB 1.522 39.557 38.000 0.058 0.000 1.264 1039 I HN 0.844 nan 8.210 nan 0.000 0.438 1040 Q N 6.683 126.686 119.800 0.338 0.000 2.331 1040 Q HA 0.296 4.636 4.340 0.000 0.000 0.272 1040 Q C -1.445 174.779 176.000 0.374 0.000 1.062 1040 Q CA -0.755 55.268 55.803 0.367 0.000 0.806 1040 Q CB 2.244 31.197 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 0.166 4.506 4.340 0.000 0.000 0.272 1041 Q C 0.204 176.214 176.000 0.017 0.000 1.012 1041 Q CA 0.178 55.925 55.803 -0.093 0.000 0.891 1041 Q CB 0.978 29.585 28.738 -0.219 0.000 1.201 1041 Q HN 0.644 nan 8.270 nan 0.000 0.391 1042 V N 0.089 120.008 119.914 0.009 0.000 3.572 1042 V HA 0.430 4.550 4.120 0.000 0.000 0.260 1042 V C 0.074 176.181 176.094 0.021 0.000 1.324 1042 V CA 0.426 62.761 62.300 0.059 0.000 1.068 1042 V CB 0.402 32.301 31.823 0.127 0.000 0.837 1042 V HN 0.834 nan 8.190 nan 0.000 0.450 1043 E N -0.620 119.571 120.200 -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 2.195 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 2.556 116.990 114.554 -0.199 0.000 2.909 1044 T HA 0.559 4.909 4.350 0.000 0.000 0.299 1044 T C -1.392 173.005 174.700 -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 0.789 120.105 119.800 -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 -0.582 54.824 55.803 -0.661 0.000 0.887 1045 Q CB 1.929 30.167 28.738 -0.833 0.000 1.432 1045 Q HN 0.657 nan 8.270 nan 0.000 0.392 1046 T N 3.628 118.051 114.554 -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 0.468 69.252 68.868 -0.140 0.000 0.979 1046 T HN 0.475 nan 8.240 nan 0.000 0.446 1047 F N -0.492 119.362 119.950 -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 -1.261 56.710 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 1.379 121.860 120.400 0.135 0.000 2.381 1048 D HA 0.426 5.066 4.640 0.000 0.000 0.235 1048 D C -2.169 174.267 176.300 0.227 0.000 1.068 1048 D CA -2.407 51.624 54.000 0.051 0.000 0.832 1048 D CB 2.295 43.146 40.800 0.086 0.000 1.101 1048 D HN 0.205 nan 8.370 nan 0.000 0.515 1049 P HA -0.117 nan 4.420 nan 0.000 0.220 1049 P C 0.904 178.330 177.300 0.209 0.000 1.144 1049 P CA 0.999 64.237 63.100 0.229 0.000 0.800 1049 P CB 0.312 32.019 31.700 0.012 0.000 0.772 1050 A N -0.728 122.201 122.820 0.182 0.000 2.015 1050 A HA -0.174 4.146 4.320 0.000 0.000 0.219 1050 A C 2.057 179.714 177.584 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 -1.416 117.365 118.700 0.136 0.000 2.387 1051 N HA 0.102 4.842 4.740 0.000 0.000 0.176 1051 N C 0.749 176.299 175.510 0.066 0.000 1.022 1051 N CA 0.576 53.685 53.050 0.099 0.000 0.883 1051 N CB 0.205 38.757 38.487 0.109 0.000 1.019 1051 N HN 0.558 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 0.263 4.603 4.340 0.000 0.000 0.266 1052 R C -0.926 175.372 176.300 -0.002 0.000 1.046 1052 R CA -0.070 56.000 56.100 -0.050 0.000 0.885 1052 R CB 0.730 30.890 30.300 -0.235 0.000 1.254 1052 R HN 0.059 nan 8.270 nan 0.000 0.465 1053 S N 0.101 115.720 115.700 -0.135 0.000 2.800 1053 S HA 0.214 4.684 4.470 0.000 0.000 0.266 1053 S C -0.677 173.937 174.600 0.023 0.000 1.029 1053 S CA -0.319 57.931 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 2.882 122.577 119.914 -0.364 0.000 2.448 1054 V HA 0.678 4.798 4.120 0.000 0.000 0.295 1054 V C -1.341 174.366 176.094 -0.646 0.000 1.025 1054 V CA -0.421 61.700 62.300 -0.299 0.000 0.859 1054 V CB 0.996 32.685 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 -0.845 57.084 58.000 -0.118 0.000 0.921 1055 F CB 1.967 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 2.596 123.031 120.400 0.058 0.000 2.453 1056 D HA 0.362 5.002 4.640 0.000 0.000 0.238 1056 D C -1.178 175.127 176.300 0.009 0.000 1.088 1056 D CA -0.086 53.904 54.000 -0.017 0.000 0.854 1056 D CB 1.650 42.416 40.800 -0.057 0.000 1.076 1056 D HN 0.219 nan 8.370 nan 0.000 0.533 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 0.686 176.741 176.094 -0.065 0.000 1.050 1057 V CA -0.229 62.054 62.300 -0.029 0.000 0.981 1057 V CB 1.685 33.461 31.823 -0.078 0.000 0.990 1057 V HN 0.531 nan 8.190 nan 0.000 0.474 1058 T N 7.269 121.809 114.554 -0.024 0.000 2.801 1058 T HA 0.385 4.735 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 0.473 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 0.474 32.359 31.700 0.309 0.000 1.011 1060 A N 1.175 124.045 122.820 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 -0.473 51.561 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 0.917 119.594 118.700 -0.038 0.000 2.868 1061 N HA 0.362 5.102 4.740 0.000 0.000 0.252 1061 N C -1.165 174.296 175.510 -0.081 0.000 1.130 1061 N CA -0.029 53.001 53.050 -0.033 0.000 1.026 1061 N CB 0.936 39.423 38.487 -0.000 0.000 1.335 1061 N HN 0.391 nan 8.380 nan 0.000 0.516 1062 V N 1.569 121.377 119.914 -0.177 0.000 2.733 1062 V HA 0.675 4.795 4.120 0.000 0.000 0.306 1062 V C 0.635 176.623 176.094 -0.177 0.000 1.084 1062 V CA 0.174 62.347 62.300 -0.212 0.000 0.905 1062 V CB 0.941 32.536 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 -0.096 174.810 174.900 0.010 0.000 1.273 1063 G CA 0.543 45.653 45.100 0.016 0.000 0.974 1063 G HN 1.247 nan 8.290 nan 0.000 0.552 1064 I N 0.761 121.358 120.570 0.046 0.000 2.312 1064 I HA 0.374 4.544 4.170 0.000 0.000 0.290 1064 I C 0.392 176.548 176.117 0.066 0.000 1.008 1064 I CA -0.722 60.596 61.300 0.031 0.000 1.226 1064 I CB 1.571 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 0.183 4.303 4.120 0.000 0.000 0.275 1065 V C 0.922 176.954 176.094 -0.103 0.000 1.047 1065 V CA -0.282 61.991 62.300 -0.046 0.000 0.955 1065 V CB 1.116 32.865 31.823 -0.122 0.000 0.988 1065 V HN 0.754 nan 8.190 nan 0.000 0.471 1066 K N 2.925 123.265 120.400 -0.100 0.000 2.276 1066 K HA 0.458 4.778 4.320 0.000 0.000 0.198 1066 K C 0.807 177.313 176.600 -0.156 0.000 1.052 1066 K CA 0.721 56.989 56.287 -0.033 0.000 0.984 1066 K CB 0.768 33.334 32.500 0.109 0.000 0.836 1066 K HN 0.899 nan 8.250 nan 0.000 0.490 1067 G N 0.221 108.711 108.800 -0.516 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 -1.975 172.056 174.900 -1.448 0.000 1.306 1067 G CA -0.995 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 -0.454 118.892 119.950 -1.008 0.000 2.547 1068 F HA 0.641 5.168 4.527 0.000 0.000 0.316 1068 F C -0.225 175.434 175.800 -0.234 0.000 1.121 1068 F CA -0.805 56.949 58.000 -0.410 0.000 0.911 1068 F CB 2.396 41.257 39.000 -0.232 0.000 1.179 1068 F HN 0.413 nan 8.300 nan 0.000 0.443 1069 L N 4.622 126.097 121.223 0.420 0.000 2.265 1069 L HA 0.698 5.038 4.340 0.000 0.000 0.289 1069 L C -1.032 176.173 176.870 0.558 0.000 1.033 1069 L CA -0.477 54.748 54.840 0.642 0.000 0.814 1069 L CB 1.073 43.562 42.059 0.716 0.000 1.203 1069 L HN 0.401 nan 8.230 nan 0.000 0.423 1070 V N 5.645 125.852 119.914 0.488 0.000 2.347 1070 V HA 0.400 4.520 4.120 0.000 0.000 0.280 1070 V C 0.040 176.326 176.094 0.320 0.000 1.021 1070 V CA -0.789 61.738 62.300 0.378 0.000 0.847 1070 V CB 1.181 33.159 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 0.703 5.023 4.320 0.000 0.000 0.275 1071 K C -1.387 175.209 176.600 -0.007 0.000 1.024 1071 K CA -0.388 55.747 56.287 -0.254 0.000 0.887 1071 K CB 1.592 33.953 32.500 -0.233 0.000 1.084 1071 K HN 0.504 nan 8.250 nan 0.000 0.463 1072 V N 3.536 123.431 119.914 -0.032 0.000 2.531 1072 V HA 0.360 4.480 4.120 0.000 0.000 0.301 1072 V C -0.373 175.749 176.094 0.048 0.000 1.034 1072 V CA -0.833 61.549 62.300 0.136 0.000 0.865 1072 V CB 1.667 33.697 31.823 0.345 0.000 0.995 1072 V HN 1.000 nan 8.190 nan 0.000 0.424 1073 T N 1.327 115.898 114.554 0.029 0.000 2.908 1073 T HA 0.957 5.307 4.350 0.000 0.000 0.290 1073 T C -0.489 174.227 174.700 0.025 0.000 1.034 1073 T CA -0.541 61.575 62.100 0.027 0.000 1.010 1073 T CB 2.270 71.142 68.868 0.005 0.000 1.068 1073 T HN 1.351 nan 8.240 nan 0.000 0.481 1074 A N 0.832 123.702 122.820 0.082 0.000 2.594 1074 A HA 0.908 5.228 4.320 0.000 0.000 0.295 1074 A C -0.950 176.724 177.584 0.150 0.000 1.071 1074 A CA -0.808 51.309 52.037 0.133 0.000 0.685 1074 A CB 1.273 20.456 19.000 0.305 0.000 1.285 1074 A HN 1.656 nan 8.150 nan 0.000 0.405 1075 A N 1.370 124.281 122.820 0.152 0.000 2.318 1075 A HA 0.765 5.085 4.320 0.000 0.000 0.317 1075 A C -0.831 176.818 177.584 0.108 0.000 1.159 1075 A CA -0.288 51.807 52.037 0.096 0.000 0.799 1075 A CB 0.366 19.393 19.000 0.046 0.000 1.194 1075 A HN 0.747 nan 8.150 nan 0.000 0.479 1076 I N 2.100 122.679 120.570 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 61.008 61.300 -0.109 0.000 1.124 1076 I CB 2.408 40.321 38.000 -0.145 0.000 1.289 1076 I HN 0.559 nan 8.210 nan 0.000 0.441 1077 T N 4.460 118.902 114.554 -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 2.956 121.516 118.700 -0.235 0.000 2.521 1078 N HA 0.073 4.813 4.740 0.000 0.000 0.236 1078 N C 0.652 176.082 175.510 -0.133 0.000 1.067 1078 N CA -0.244 52.668 53.050 -0.230 0.000 0.939 1078 N CB 0.188 38.551 38.487 -0.206 0.000 1.201 1078 N HN 0.666 nan 8.380 nan 0.000 0.511 1079 N N 2.276 120.900 118.700 -0.126 0.000 2.383 1079 N HA -0.109 4.631 4.740 0.000 0.000 0.192 1079 N C -0.193 175.284 175.510 -0.055 0.000 1.141 1079 N CA -0.205 52.794 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 0.740 56.737 56.048 -0.085 0.000 1.419 1080 H CB 1.346 31.056 29.762 -0.086 0.000 1.401 1080 H HN 0.177 nan 8.280 nan 0.000 0.609 1081 A N 2.399 125.012 122.820 -0.345 0.000 1.898 1081 A HA -0.112 4.208 4.320 0.000 0.000 0.216 1081 A C 1.881 179.493 177.584 0.047 0.000 1.181 1081 A CA 2.079 54.034 52.037 -0.136 0.000 0.620 1081 A CB -0.467 18.410 19.000 -0.205 0.000 0.819 1081 A HN 0.870 nan 8.150 nan 0.000 0.442 1082 T N -4.822 109.896 114.554 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 0.205 69.139 68.868 0.110 0.000 1.214 1082 T HN 0.176 nan 8.240 nan 0.000 0.536 1083 E N 1.602 121.865 120.200 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 55.820 56.400 -0.220 0.000 0.815 1083 E CB 2.015 31.361 29.700 -0.589 0.000 1.119 1083 E HN 0.516 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 0.728 5.048 4.320 0.000 0.000 0.313 1084 A C -0.115 177.413 177.584 -0.093 0.000 1.109 1084 A CA -0.542 51.437 52.037 -0.096 0.000 0.890 1084 A CB 0.784 19.752 19.000 -0.054 0.000 1.239 1084 A HN 0.399 nan 8.150 nan 0.000 0.506 1085 V N -4.085 115.792 119.914 -0.061 0.000 3.078 1085 V HA 0.949 5.069 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 2.450 125.407 122.820 0.228 0.000 2.454 1086 A HA 0.852 5.172 4.320 0.000 0.000 0.302 1086 A C -0.563 177.149 177.584 0.213 0.000 1.079 1086 A CA -0.994 51.195 52.037 0.253 0.000 0.731 1086 A CB 1.468 20.530 19.000 0.104 0.000 1.299 1086 A HN 1.105 nan 8.150 nan 0.000 0.413 1087 L N 1.879 123.117 121.223 0.024 0.000 2.543 1087 L HA 0.125 4.465 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 0.160 54.805 54.840 -0.325 0.000 0.871 1087 L CB 0.379 42.280 42.059 -0.262 0.000 1.121 1087 L HN 0.997 nan 8.230 nan 0.000 0.501 1088 T N -1.881 112.539 114.554 -0.222 0.000 2.770 1088 T HA 0.084 4.434 4.350 0.000 0.000 0.281 1088 T C 0.757 175.361 174.700 -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 -0.222 120.054 120.400 -0.206 0.000 2.178 1089 D HA -0.016 4.624 4.640 0.000 0.000 0.201 1089 D C 1.524 177.949 176.300 0.208 0.000 0.980 1089 D CA 1.064 55.030 54.000 -0.056 0.000 0.842 1089 D CB -0.227 40.490 40.800 -0.139 0.000 0.948 1089 D HN 0.472 nan 8.370 nan 0.000 0.472 1090 F N 0.185 120.046 119.950 -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 -0.113 0.000 1.103 1090 F CA 0.409 58.355 58.000 -0.090 0.000 1.442 1090 F CB -0.945 37.973 39.000 -0.137 0.000 1.097 1090 F HN -0.028 nan 8.300 nan 0.000 0.547 1091 G N 2.680 111.487 108.800 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 -1.118 173.746 174.900 -0.060 0.000 1.286 1091 G CA 0.557 45.586 45.100 -0.119 0.000 1.004 1091 G HN 0.209 nan 8.290 nan 0.000 0.548 1092 P HA 0.040 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 2.271 65.373 63.100 0.004 0.000 0.770 1092 P CB -0.378 31.318 31.700 -0.006 0.000 0.786 1093 A N 0.058 122.839 122.820 -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 0.208 0.000 1.154 1093 A CA 0.999 52.991 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 -0.387 118.436 118.700 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 0.299 177.344 176.870 0.292 0.000 1.105 1095 L CA 0.783 55.819 54.840 0.327 0.000 0.775 1095 L CB 0.229 42.504 42.059 0.359 0.000 0.913 1095 L HN -0.120 nan 8.230 nan 0.000 0.440 1096 V N -0.107 119.902 119.914 0.159 0.000 2.384 1096 V HA 0.131 4.251 4.120 0.000 0.000 0.287 1096 V C 0.529 176.527 176.094 -0.161 0.000 1.020 1096 V CA -0.552 61.609 62.300 -0.231 0.000 0.850 1096 V CB 1.713 33.083 31.823 -0.756 0.000 0.987 1096 V HN 0.161 nan 8.190 nan 0.000 0.436 1097 Q N 3.501 123.218 119.800 -0.138 0.000 2.123 1097 Q HA 0.195 4.535 4.340 0.000 0.000 0.196 1097 Q C 0.468 176.374 176.000 -0.156 0.000 0.958 1097 Q CA 1.021 56.785 55.803 -0.064 0.000 0.841 1097 Q CB 0.462 29.196 28.738 -0.006 0.000 0.915 1097 Q HN 0.627 nan 8.270 nan 0.000 0.455 1098 R N -1.051 119.307 120.500 -0.237 0.000 2.739 1098 R HA 0.632 4.972 4.340 0.000 0.000 0.271 1098 R C -1.376 174.735 176.300 -0.314 0.000 1.010 1098 R CA -0.519 55.431 56.100 -0.249 0.000 0.897 1098 R CB 2.252 32.454 30.300 -0.163 0.000 1.236 1098 R HN -0.186 nan 8.270 nan 0.000 0.466 1099 V N 2.567 122.313 119.914 -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 -0.679 61.457 62.300 -0.274 0.000 0.930 1099 V CB 2.329 33.965 31.823 -0.312 0.000 1.014 1099 V HN 0.566 nan 8.190 nan 0.000 0.425 1100 I N 3.681 124.160 120.570 -0.153 0.000 2.607 1100 I HA 0.452 4.622 4.170 0.000 0.000 0.290 1100 I C -1.742 174.324 176.117 -0.086 0.000 1.129 1100 I CA -0.703 60.518 61.300 -0.132 0.000 1.042 1100 I CB 2.375 40.307 38.000 -0.112 0.000 1.242 1100 I HN 0.688 nan 8.210 nan 0.000 0.421 1101 Y N 6.250 126.405 120.300 -0.242 0.000 2.376 1101 Y HA 0.593 5.143 4.550 0.000 0.000 0.340 1101 Y C -1.710 174.065 175.900 -0.208 0.000 0.965 1101 Y CA -0.697 57.295 58.100 -0.179 0.000 1.078 1101 Y CB 1.286 39.648 38.460 -0.164 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 0.293 4.843 4.550 0.000 0.000 0.340 1102 Y C -0.103 175.258 175.900 -0.897 0.000 0.975 1102 Y CA -1.030 56.729 58.100 -0.567 0.000 1.089 1102 Y CB 1.166 39.439 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 -0.247 0.000 2.451 1103 D HA 0.236 4.876 4.640 0.000 0.000 0.259 1103 D C -2.206 174.094 176.300 0.001 0.000 1.201 1103 D CA -2.286 51.667 54.000 -0.078 0.000 1.028 1103 D CB 0.384 41.326 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 -0.040 177.285 177.300 0.042 0.000 1.145 1104 P CA 1.017 64.139 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 -1.681 118.763 120.400 0.073 0.000 2.358 1105 D HA 0.034 4.674 4.640 0.000 0.000 0.224 1105 D C 0.464 176.809 176.300 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 0.638 119.383 118.700 0.076 0.000 2.800 1106 N HA -0.261 4.479 4.740 0.000 0.000 0.250 1106 N C -0.161 175.464 175.510 0.191 0.000 1.078 1106 N CA 0.190 53.304 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 1.616 121.520 119.800 0.173 0.000 2.256 1107 Q HA 0.355 4.695 4.340 0.000 0.000 0.254 1107 Q C -0.518 175.574 176.000 0.153 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 0.260 176.568 176.300 0.013 0.000 1.070 1108 R CA -0.141 55.862 56.100 -0.161 0.000 1.047 1108 R CB 0.689 30.776 30.300 -0.354 0.000 1.016 1108 R HN 0.820 nan 8.270 nan 0.000 0.477 1109 H N 0.199 119.232 119.070 -0.062 0.000 5.067 1109 H HA 0.147 4.703 4.556 0.000 0.000 0.118 1109 H C 0.077 175.325 175.328 -0.133 0.000 1.355 1109 H CA -0.368 55.659 56.048 -0.035 0.000 0.741 1109 H CB 0.277 30.087 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 0.088 4.438 4.350 0.000 0.000 0.303 1110 T C 0.112 174.748 174.700 -0.107 0.000 1.025 1110 T CA 0.468 62.495 62.100 -0.122 0.000 1.142 1110 T CB 0.316 69.073 68.868 -0.185 0.000 0.947 1110 T HN 0.395 nan 8.240 nan 0.000 0.544 1111 E N 2.205 122.346 120.200 -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 0.977 115.465 114.554 -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 61.837 62.100 -0.114 0.000 1.020 1112 T CB 1.051 69.923 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 1.620 175.957 174.600 -0.438 0.000 1.292 1113 S CA 0.053 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 1.082 109.681 108.800 -0.335 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 1.321 176.205 174.900 -0.027 0.000 1.158 1114 G CA 0.752 45.704 45.100 -0.247 0.000 0.771 1114 G HN 0.960 nan 8.290 nan 0.000 0.545 1115 W N 0.194 121.447 121.300 -0.078 0.000 2.388 1115 W HA -0.022 4.638 4.660 0.000 0.000 0.294 1115 W C 1.784 177.988 176.519 -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 28.164 29.460 -0.443 0.000 1.126 1115 W HN 0.416 nan 8.180 nan 0.000 0.535 1116 H N 1.267 119.981 119.070 -0.593 0.000 2.357 1116 H HA -0.180 4.376 4.556 0.000 0.000 0.301 1116 H C 2.351 177.576 175.328 -0.170 0.000 1.082 1116 H CA 1.786 57.626 56.048 -0.346 0.000 1.342 1116 H CB -0.124 29.272 29.762 -0.609 0.000 1.389 1116 H HN 0.119 nan 8.280 nan 0.000 0.511 1117 L N 1.062 122.061 121.223 -0.373 0.000 2.042 1117 L HA -0.216 4.124 4.340 0.000 0.000 0.210 1117 L C 2.589 179.344 176.870 -0.191 0.000 1.076 1117 L CA 2.455 57.105 54.840 -0.317 0.000 0.749 1117 L CB -1.111 40.832 42.059 -0.194 0.000 0.893 1117 L HN 0.375 nan 8.230 nan 0.000 0.432 1118 H N -1.034 117.941 119.070 -0.159 0.000 2.353 1118 H HA -0.187 4.369 4.556 0.000 0.000 0.300 1118 H C 1.930 177.182 175.328 -0.127 0.000 1.090 1118 H CA 2.232 58.169 56.048 -0.185 0.000 1.327 1118 H CB -0.589 29.036 29.762 -0.228 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 0.558 58.372 58.000 -0.309 0.000 1.326 1119 F CB -0.053 38.925 39.000 -0.036 0.000 1.027 1119 F HN 0.087 nan 8.300 nan 0.000 0.497 1120 V N 0.252 120.102 119.914 -0.106 0.000 2.427 1120 V HA -0.286 3.834 4.120 0.000 0.000 0.248 1120 V C 1.667 177.653 176.094 -0.181 0.000 1.051 1120 V CA 1.951 64.177 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 -0.300 118.212 118.700 -0.314 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 -0.285 0.000 1.024 1121 N CA 1.830 54.583 53.050 -0.495 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 0.572 114.970 114.554 -0.259 0.000 2.708 1122 T HA -0.090 4.260 4.350 0.000 0.000 0.266 1122 T C 2.057 176.677 174.700 -0.134 0.000 1.037 1122 T CA 1.192 63.223 62.100 -0.115 0.000 1.146 1122 T CB -0.333 68.437 68.868 -0.165 0.000 0.865 1122 T HN 0.331 nan 8.240 nan 0.000 0.435 1123 A N 1.893 124.582 122.820 -0.217 0.000 1.908 1123 A HA -0.152 4.168 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 1.390 53.266 52.037 -0.269 0.000 0.627 1123 A CB -0.330 18.440 19.000 -0.382 0.000 0.818 1123 A HN 0.289 nan 8.150 nan 0.000 0.445 1124 K N -0.626 119.729 120.400 -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 57.691 56.287 -0.068 0.000 0.948 1124 K CB -0.238 32.198 32.500 -0.107 0.000 0.728 1124 K HN 0.766 nan 8.250 nan 0.000 0.448 1125 Q N -0.062 119.724 119.800 -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 1.315 57.118 55.803 -0.001 0.000 0.857 1125 Q CB 0.240 29.031 28.738 0.089 0.000 0.929 1125 Q HN 0.442 nan 8.270 nan 0.000 0.453 1126 G N -0.621 108.159 108.800 -0.033 0.000 2.141 1126 G HA2 -0.161 3.799 3.960 0.000 0.000 0.231 1126 G HA3 -0.161 3.799 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 0.827 nan 8.290 nan 0.000 0.525 1127 A N -1.282 121.522 122.820 -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 -0.758 51.269 52.037 -0.017 0.000 0.666 1127 A CB 0.700 19.687 19.000 -0.023 0.000 1.281 1127 A HN 0.153 nan 8.150 nan 0.000 0.421 1128 P HA 0.119 nan 4.420 nan 0.000 0.258 1128 P C -0.350 177.030 177.300 0.135 0.000 1.172 1128 P CA 0.550 63.704 63.100 0.091 0.000 0.762 1128 P CB -0.160 31.593 31.700 0.088 0.000 0.764 1129 F N 5.769 125.729 119.950 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 0.031 0.000 1.043 1129 F CA 0.378 58.389 58.000 0.017 0.000 1.227 1129 F CB -0.402 38.623 39.000 0.042 0.000 1.016 1129 F HN 0.275 nan 8.300 nan 0.000 0.556 1130 L N 3.579 124.433 121.223 -0.615 0.000 3.976 1130 L HA -0.323 4.017 4.340 0.000 0.000 0.418 1130 L C 0.623 177.342 176.870 -0.252 0.000 1.177 1130 L CA 0.556 55.052 54.840 -0.574 0.000 0.968 1130 L CB -2.347 39.215 42.059 -0.827 0.000 1.933 1130 L HN 0.734 nan 8.230 nan 0.000 0.976 1131 S N -1.827 113.793 115.700 -0.134 0.000 2.645 1131 S HA 0.530 5.000 4.470 0.000 0.000 0.266 1131 S C 0.319 174.875 174.600 -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 1.555 117.229 115.700 -0.044 0.000 2.498 1132 S HA 0.402 4.872 4.470 0.000 0.000 0.324 1132 S C -0.356 174.229 174.600 -0.025 0.000 1.071 1132 S CA -0.836 57.342 58.200 -0.037 0.000 1.113 1132 S CB -0.047 63.141 63.200 -0.019 0.000 0.976 1132 S HN 0.786 nan 8.310 nan 0.000 0.462 1133 M N 5.977 125.556 119.600 -0.036 0.000 2.238 1133 M HA 0.382 4.862 4.480 0.000 0.000 0.347 1133 M C -1.089 175.199 176.300 -0.021 0.000 1.173 1133 M CA -0.229 55.053 55.300 -0.031 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 4.655 124.562 119.914 -0.011 0.000 2.465 1134 V HA 0.502 4.622 4.120 0.000 0.000 0.279 1134 V C 0.426 176.515 176.094 -0.008 0.000 1.045 1134 V CA -0.242 62.057 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 1.023 nan 8.190 nan 0.000 0.467 1135 T N -0.225 114.328 114.554 -0.003 0.000 2.838 1135 T HA 0.347 4.697 4.350 0.000 0.000 0.292 1135 T C 0.261 174.967 174.700 0.010 0.000 1.113 1135 T CA -0.274 61.821 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 0.631 nan 8.240 nan 0.000 0.520 1136 D N -0.065 120.340 120.400 0.008 0.000 2.336 1136 D HA 0.075 4.715 4.640 0.000 0.000 0.229 1136 D C 0.658 176.977 176.300 0.032 0.000 1.061 1136 D CA -0.178 53.833 54.000 0.017 0.000 0.875 1136 D CB -0.379 40.427 40.800 0.010 0.000 0.904 1136 D HN 0.389 nan 8.370 nan 0.000 0.525 1137 S N 1.788 117.516 115.700 0.048 0.000 2.544 1137 S HA 0.081 4.551 4.470 0.000 0.000 0.290 1137 S C -1.049 173.606 174.600 0.092 0.000 1.276 1137 S CA -0.928 57.325 58.200 0.089 0.000 1.075 1137 S CB 0.997 64.298 63.200 0.169 0.000 0.849 1137 S HN 0.099 nan 8.310 nan 0.000 0.494 1138 P HA 0.067 nan 4.420 nan 0.000 0.225 1138 P C 0.114 177.431 177.300 0.028 0.000 1.156 1138 P CA 0.322 63.446 63.100 0.040 0.000 0.787 1138 P CB -0.040 31.676 31.700 0.026 0.000 0.802 1139 I N 1.170 121.769 120.570 0.049 0.000 2.648 1139 I HA -0.020 4.150 4.170 0.000 0.000 0.284 1139 I C 1.321 177.380 176.117 -0.097 0.000 1.153 1139 I CA 0.276 61.544 61.300 -0.053 0.000 1.426 1139 I CB 0.180 38.139 38.000 -0.069 0.000 1.381 1139 I HN -0.269 nan 8.210 nan 0.000 0.571 1140 K N 6.640 126.935 120.400 -0.175 0.000 3.233 1140 K HA 0.084 4.404 4.320 0.000 0.000 0.283 1140 K C -0.707 175.804 176.600 -0.148 0.000 1.209 1140 K CA -0.005 56.209 56.287 -0.121 0.000 1.197 1140 K CB -0.566 31.882 32.500 -0.086 0.000 1.431 1140 K HN 0.388 nan 8.250 nan 0.000 0.326 1141 Y N 0.427 120.717 120.300 -0.016 0.000 2.296 1141 Y HA 0.304 4.854 4.550 0.000 0.000 0.343 1141 Y C 1.547 177.435 175.900 -0.019 0.000 1.292 1141 Y CA 0.570 58.658 58.100 -0.021 0.000 1.490 1141 Y CB 0.914 39.360 38.460 -0.024 0.000 1.359 1141 Y HN 0.448 nan 8.280 nan 0.000 0.599 1142 G N 0.158 109.054 108.800 0.160 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 -0.861 44.285 45.100 0.078 0.000 0.949 1142 G HN 0.525 nan 8.290 nan 0.000 0.476 1143 D N 0.523 120.939 120.400 0.026 0.000 2.508 1143 D HA 0.444 5.084 4.640 0.000 0.000 0.224 1143 D C 1.375 177.684 176.300 0.015 0.000 1.171 1143 D CA 0.095 54.105 54.000 0.016 0.000 1.006 1143 D CB 0.695 41.505 40.800 0.015 0.000 1.073 1143 D HN 0.244 nan 8.370 nan 0.000 0.513 1144 V N 2.836 122.758 119.914 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 0.782 63.085 62.300 0.006 0.000 1.065 1144 V CB -0.124 31.699 31.823 0.000 0.000 0.717 1144 V HN 0.555 nan 8.190 nan 0.000 0.467 1145 M N -0.407 119.196 119.600 0.005 0.000 2.371 1145 M HA 0.283 4.763 4.480 0.000 0.000 0.246 1145 M C 0.369 176.684 176.300 0.024 0.000 1.103 1145 M CA 0.091 55.397 55.300 0.010 0.000 1.010 1145 M CB -0.655 31.943 32.600 -0.004 0.000 1.457 1145 M HN 0.387 nan 8.290 nan 0.000 0.486 1146 N N 1.143 119.856 118.700 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 37.281 38.487 0.047 0.000 0.906 1146 N HN 0.156 nan 8.380 nan 0.000 0.541 1147 V N -0.195 119.739 119.914 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 0.425 121.044 120.570 0.082 0.000 2.410 1148 I HA 0.486 4.656 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 -0.304 61.054 61.300 0.097 0.000 1.111 1148 I CB 1.759 39.795 38.000 0.061 0.000 1.262 1148 I HN 0.223 nan 8.210 nan 0.000 0.443 1149 D N 5.446 125.886 120.400 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 53.733 54.000 0.060 0.000 0.801 1149 D CB 2.315 43.154 40.800 0.065 0.000 1.556 1149 D HN 0.680 nan 8.370 nan 0.000 0.462 1150 A N 2.626 125.489 122.820 0.072 0.000 2.555 1150 A HA 0.632 4.952 4.320 0.000 0.000 0.297 1150 A C -2.847 174.813 177.584 0.127 0.000 1.060 1150 A CA -1.206 50.897 52.037 0.110 0.000 0.710 1150 A CB 1.158 20.205 19.000 0.079 0.000 1.282 1150 A HN 0.433 nan 8.150 nan 0.000 0.399 1151 P HA 0.339 nan 4.420 nan 0.000 0.268 1151 P C 1.074 178.503 177.300 0.215 0.000 1.204 1151 P CA 0.531 63.729 63.100 0.163 0.000 0.768 1151 P CB 1.119 32.901 31.700 0.136 0.000 0.842 1152 A N 3.029 125.931 122.820 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 -0.903 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 -3.855 110.804 114.554 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 1.492 70.399 68.868 0.066 0.000 1.186 1153 T HN 0.167 nan 8.240 nan 0.000 0.499 1154 I N 1.740 122.253 120.570 -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 -1.104 60.086 61.300 -0.185 0.000 1.100 1154 I CB 1.438 39.192 38.000 -0.411 0.000 1.238 1154 I HN 1.033 nan 8.210 nan 0.000 0.445 1155 A N 4.725 127.495 122.820 -0.084 0.000 2.346 1155 A HA 0.703 5.023 4.320 0.000 0.000 0.252 1155 A C 0.644 178.188 177.584 -0.067 0.000 1.089 1155 A CA -0.270 51.730 52.037 -0.061 0.000 0.797 1155 A CB 0.438 19.416 19.000 -0.037 0.000 1.047 1155 A HN 0.837 nan 8.150 nan 0.000 0.494 1156 A N -0.036 122.759 122.820 -0.041 0.000 2.566 1156 A HA 0.452 4.772 4.320 0.000 0.000 0.245 1156 A C 1.621 179.190 177.584 -0.026 0.000 1.056 1156 A CA 0.959 52.989 52.037 -0.012 0.000 0.757 1156 A CB -1.116 17.909 19.000 0.041 0.000 0.979 1156 A HN 2.751 nan 8.150 nan 0.000 0.508 1157 G N 0.882 109.659 108.800 -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 0.563 175.430 174.900 -0.056 0.000 0.982 1157 G CA 0.568 45.640 45.100 -0.045 0.000 0.632 1157 G HN 2.180 nan 8.290 nan 0.000 0.529 1158 A N -0.481 122.297 122.820 -0.069 0.000 2.264 1158 A HA 0.846 5.166 4.320 0.000 0.000 0.304 1158 A C 0.258 177.786 177.584 -0.093 0.000 1.100 1158 A CA 0.683 52.677 52.037 -0.071 0.000 0.839 1158 A CB 1.054 20.013 19.000 -0.067 0.000 1.121 1158 A HN 0.709 nan 8.150 nan 0.000 0.496 1159 T N 0.539 115.049 114.554 -0.074 0.000 2.812 1159 T HA 0.611 4.961 4.350 0.000 0.000 0.282 1159 T C 0.154 174.819 174.700 -0.059 0.000 0.990 1159 T CA 0.056 62.111 62.100 -0.076 0.000 0.960 1159 T CB 1.498 70.337 68.868 -0.048 0.000 0.948 1159 T HN 1.044 nan 8.240 nan 0.000 0.438 1160 G N 1.907 110.664 108.800 -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 -0.883 174.032 174.900 0.025 0.000 1.143 1160 G CA -0.575 44.510 45.100 -0.026 0.000 0.914 1160 G HN 0.496 nan 8.290 nan 0.000 0.480 1161 E N 0.627 120.857 120.200 0.051 0.000 2.158 1161 E HA 0.480 4.830 4.350 0.000 0.000 0.271 1161 E C -0.912 175.747 176.600 0.098 0.000 0.911 1161 E CA -0.518 55.923 56.400 0.068 0.000 0.767 1161 E CB 2.385 32.115 29.700 0.049 0.000 1.120 1161 E HN 0.134 nan 8.360 nan 0.000 0.405 1162 L N 1.399 122.693 121.223 0.118 0.000 2.341 1162 L HA 0.539 4.879 4.340 0.000 0.000 0.267 1162 L C 0.049 176.981 176.870 0.104 0.000 1.009 1162 L CA -0.469 54.449 54.840 0.129 0.000 0.819 1162 L CB 2.106 44.274 42.059 0.181 0.000 1.323 1162 L HN 0.329 nan 8.230 nan 0.000 0.425 1163 T N 2.231 116.841 114.554 0.093 0.000 2.921 1163 T HA 0.735 5.085 4.350 0.000 0.000 0.297 1163 T C -1.092 173.650 174.700 0.071 0.000 1.013 1163 T CA -0.363 61.783 62.100 0.077 0.000 0.990 1163 T CB 1.637 70.570 68.868 0.109 0.000 1.023 1163 T HN 0.438 nan 8.240 nan 0.000 0.447 1164 M N 3.178 122.788 119.600 0.016 0.000 2.501 1164 M HA 0.684 5.164 4.480 0.000 0.000 0.293 1164 M C -2.373 173.875 176.300 -0.086 0.000 1.192 1164 M CA -0.761 54.525 55.300 -0.024 0.000 0.886 1164 M CB 1.694 34.255 32.600 -0.065 0.000 1.710 1164 M HN 0.619 nan 8.290 nan 0.000 0.457 1165 Y N 2.714 122.976 120.300 -0.062 0.000 2.462 1165 Y HA 0.706 5.256 4.550 0.000 0.000 0.346 1165 Y C -1.529 174.409 175.900 0.062 0.000 0.976 1165 Y CA -0.328 57.848 58.100 0.127 0.000 1.044 1165 Y CB 2.064 40.654 38.460 0.217 0.000 1.230 1165 Y HN 0.623 nan 8.280 nan 0.000 0.455 1166 Y N 1.198 121.787 120.300 0.480 0.000 2.477 1166 Y HA 0.284 4.834 4.550 0.000 0.000 0.347 1166 Y C -1.023 175.088 175.900 0.352 0.000 0.981 1166 Y CA -1.553 56.721 58.100 0.290 0.000 1.033 1166 Y CB 2.040 40.557 38.460 0.096 0.000 1.245 1166 Y HN 0.643 nan 8.280 nan 0.000 0.455 1167 W N 5.002 126.378 121.300 0.126 0.000 2.361 1167 W HA 0.666 5.326 4.660 0.000 0.000 0.314 1167 W C -1.904 174.632 176.519 0.030 0.000 1.041 1167 W CA -1.019 56.392 57.345 0.110 0.000 1.241 1167 W CB 1.450 30.933 29.460 0.039 0.000 1.279 1167 W HN 0.310 nan 8.180 nan 0.000 0.436 1168 V N 9.396 129.018 119.914 -0.486 0.000 2.334 1168 V HA 0.191 4.311 4.120 0.000 0.000 0.267 1168 V C -1.588 174.009 176.094 -0.828 0.000 1.040 1168 V CA -1.522 60.505 62.300 -0.454 0.000 0.866 1168 V CB 0.946 32.633 31.823 -0.227 0.000 1.019 1168 V HN 0.357 nan 8.190 nan 0.000 0.468 1169 P HA 0.395 nan 4.420 nan 0.000 0.286 1169 P C 0.032 177.227 177.300 -0.176 0.000 1.261 1169 P CA -0.314 62.617 63.100 -0.281 0.000 0.821 1169 P CB 2.536 34.392 31.700 0.260 0.000 1.013 1170 L N 1.301 122.463 121.223 -0.103 0.000 2.675 1170 L HA 0.324 4.664 4.340 0.000 0.000 0.178 1170 L C 1.362 178.358 176.870 0.211 0.000 1.135 1170 L CA 0.099 54.897 54.840 -0.070 0.000 0.855 1170 L CB -0.780 41.102 42.059 -0.295 0.000 1.235 1170 L HN 0.325 nan 8.230 nan 0.000 0.499 1171 A N -0.903 122.010 122.820 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 0.029 52.178 52.037 0.188 0.000 0.777 1171 A CB -0.017 19.056 19.000 0.122 0.000 1.013 1171 A HN 0.361 nan 8.150 nan 0.000 0.493 1172 Y N 2.253 122.539 120.300 -0.024 0.000 2.181 1172 Y HA -0.024 4.526 4.550 0.000 0.000 0.288 1172 Y C 1.278 177.127 175.900 -0.085 0.000 1.146 1172 Y CA 1.790 59.704 58.100 -0.310 0.000 1.164 1172 Y CB 0.020 38.320 38.460 -0.267 0.000 0.982 1172 Y HN 0.878 nan 8.280 nan 0.000 0.515 1173 S N -2.421 113.252 115.700 -0.044 0.000 2.790 1173 S HA 0.269 4.739 4.470 0.000 0.000 0.292 1173 S C 0.351 174.931 174.600 -0.033 0.000 1.197 1173 S CA -0.622 57.509 58.200 -0.115 0.000 0.851 1173 S CB 1.082 64.200 63.200 -0.137 0.000 1.217 1173 S HN 0.082 nan 8.310 nan 0.000 0.526 1174 E N 1.099 121.251 120.200 -0.081 0.000 2.274 1174 E HA 0.001 4.351 4.350 0.000 0.000 0.194 1174 E C 1.698 178.269 176.600 -0.048 0.000 0.996 1174 E CA 1.824 58.178 56.400 -0.076 0.000 0.840 1174 E CB -0.327 29.300 29.700 -0.122 0.000 0.772 1174 E HN 0.847 nan 8.360 nan 0.000 0.491 1175 T N -2.427 112.110 114.554 -0.028 0.000 3.001 1175 T HA 0.056 4.406 4.350 0.000 0.000 0.251 1175 T C 0.447 175.154 174.700 0.011 0.000 1.040 1175 T CA -0.303 61.789 62.100 -0.015 0.000 0.985 1175 T CB 0.438 69.296 68.868 -0.016 0.000 1.011 1175 T HN -0.208 nan 8.240 nan 0.000 0.509 1176 D N 1.196 121.625 120.400 0.048 0.000 2.453 1176 D HA 0.310 4.950 4.640 0.000 0.000 0.238 1176 D C 0.623 176.959 176.300 0.059 0.000 1.088 1176 D CA -0.674 53.365 54.000 0.065 0.000 0.854 1176 D CB 1.017 41.919 40.800 0.169 0.000 1.076 1176 D HN 0.216 nan 8.370 nan 0.000 0.533 1177 L N 2.504 123.734 121.223 0.011 0.000 2.627 1177 L HA 0.086 4.426 4.340 0.000 0.000 0.233 1177 L C 0.772 177.639 176.870 -0.004 0.000 1.144 1177 L CA 0.155 55.003 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 0.254 nan 8.230 nan 0.000 0.442 1178 T N 0.859 115.376 114.554 -0.061 0.000 2.871 1178 T HA 0.226 4.576 4.350 0.000 0.000 0.296 1178 T C 1.260 175.950 174.700 -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 2.050 110.869 108.800 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 -0.030 45.190 45.100 0.200 0.000 0.633 1179 G HN 1.159 nan 8.290 nan 0.000 0.525 1180 A N -0.475 122.407 122.820 0.104 0.000 2.386 1180 A HA 0.649 4.969 4.320 0.000 0.000 0.246 1180 A C 0.404 178.029 177.584 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 1.875 121.806 119.914 0.029 0.000 2.448 1181 V HA 0.289 4.409 4.120 0.000 0.000 0.295 1181 V C -0.477 175.647 176.094 0.051 0.000 1.025 1181 V CA -0.510 61.827 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 5.177 126.438 121.223 0.063 0.000 2.325 1182 L HA 0.591 4.931 4.340 0.000 0.000 0.284 1182 L C 0.864 177.768 176.870 0.057 0.000 1.089 1182 L CA 0.697 55.566 54.840 0.047 0.000 0.836 1182 L CB 0.993 43.084 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 0.247 4.567 4.320 0.000 0.000 0.245 1183 A C 1.544 179.145 177.584 0.027 0.000 1.221 1183 A CA 0.482 52.542 52.037 0.039 0.000 0.946 1183 A CB -0.805 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 0.363 119.085 118.700 0.037 0.000 2.459 1184 N HA 0.342 5.082 4.740 0.000 0.000 0.181 1184 N C 1.297 176.854 175.510 0.078 0.000 1.046 1184 N CA 1.071 54.155 53.050 0.057 0.000 0.904 1184 N CB -0.906 37.638 38.487 0.096 0.000 0.964 1184 N HN 0.781 nan 8.380 nan 0.000 0.444 1185 V N 0.315 120.276 119.914 0.079 0.000 4.119 1185 V HA 0.230 4.350 4.120 0.000 0.000 0.286 1185 V C -1.142 174.984 176.094 0.053 0.000 0.996 1185 V CA -0.516 61.830 62.300 0.075 0.000 1.027 1185 V CB -1.132 30.735 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 0.737 178.052 177.300 0.025 0.000 1.209 1186 P CA 1.459 64.578 63.100 0.031 0.000 0.790 1186 P CB 0.080 31.797 31.700 0.028 0.000 0.834 1187 Q N 0.962 120.772 119.800 0.017 0.000 2.369 1187 Q HA -0.041 4.299 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 1.301 57.111 55.803 0.011 0.000 0.894 1187 Q CB -0.883 27.859 28.738 0.007 0.000 0.965 1187 Q HN 0.514 nan 8.270 nan 0.000 0.475 1188 S N 1.305 117.008 115.700 0.006 0.000 2.702 1188 S HA 0.110 4.580 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 0.183 58.381 58.200 -0.003 0.000 1.058 1188 S CB 0.005 63.206 63.200 0.002 0.000 0.783 1188 S HN 0.723 nan 8.310 nan 0.000 0.503 1189 K N 4.348 124.735 120.400 -0.022 0.000 2.202 1189 K HA 0.280 4.600 4.320 0.000 0.000 0.264 1189 K C -0.067 176.505 176.600 -0.046 0.000 1.010 1189 K CA -0.606 55.665 56.287 -0.027 0.000 0.940 1189 K CB 0.542 33.019 32.500 -0.038 0.000 0.983 1189 K HN 0.634 nan 8.250 nan 0.000 0.475 1190 Q N 1.091 120.869 119.800 -0.036 0.000 2.212 1190 Q HA 0.324 4.664 4.340 0.000 0.000 0.238 1190 Q C -0.771 175.146 176.000 -0.138 0.000 0.955 1190 Q CA -0.718 55.031 55.803 -0.089 0.000 0.906 1190 Q CB 1.521 30.288 28.738 0.048 0.000 1.215 1190 Q HN 0.461 nan 8.270 nan 0.000 0.478 1191 R N 1.218 121.569 120.500 -0.247 0.000 2.483 1191 R HA 0.379 4.719 4.340 0.000 0.000 0.303 1191 R C -1.628 174.556 176.300 -0.194 0.000 0.987 1191 R CA -0.736 55.258 56.100 -0.177 0.000 0.881 1191 R CB 1.192 31.404 30.300 -0.147 0.000 1.177 1191 R HN 0.331 nan 8.270 nan 0.000 0.451 1192 L N 3.785 124.903 121.223 -0.174 0.000 2.301 1192 L HA 0.391 4.731 4.340 0.000 0.000 0.278 1192 L C -0.867 175.903 176.870 -0.166 0.000 1.022 1192 L CA -0.256 54.467 54.840 -0.195 0.000 0.854 1192 L CB 0.810 42.605 42.059 -0.440 0.000 1.226 1192 L HN 0.398 nan 8.230 nan 0.000 0.429 1193 K N 6.143 126.474 120.400 -0.115 0.000 2.201 1193 K HA 0.599 4.919 4.320 0.000 0.000 0.278 1193 K C -1.220 175.257 176.600 -0.205 0.000 1.027 1193 K CA -0.408 55.809 56.287 -0.118 0.000 0.909 1193 K CB 1.344 33.818 32.500 -0.044 0.000 1.062 1193 K HN 0.541 nan 8.250 nan 0.000 0.465 1194 L N 2.469 123.545 121.223 -0.245 0.000 2.381 1194 L HA 0.358 4.698 4.340 0.000 0.000 0.274 1194 L C -0.438 176.196 176.870 -0.394 0.000 0.988 1194 L CA -0.621 53.954 54.840 -0.441 0.000 0.824 1194 L CB 1.940 43.597 42.059 -0.669 0.000 1.263 1194 L HN 0.649 nan 8.230 nan 0.000 0.410 1195 E N 3.206 123.154 120.200 -0.421 0.000 2.129 1195 E HA 0.450 4.800 4.350 0.000 0.000 0.268 1195 E C -1.301 175.120 176.600 -0.299 0.000 0.900 1195 E CA -0.608 55.650 56.400 -0.236 0.000 0.755 1195 E CB 1.032 30.648 29.700 -0.140 0.000 1.117 1195 E HN 0.300 nan 8.360 nan 0.000 0.410 1196 F N 1.902 121.863 119.950 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 57.490 58.000 0.060 0.000 1.109 1196 F CB 0.836 39.966 39.000 0.217 0.000 1.262 1196 F HN 0.507 nan 8.300 nan 0.000 0.534 1197 A N 1.652 124.616 122.820 0.241 0.000 2.448 1197 A HA 0.397 4.717 4.320 0.000 0.000 0.239 1197 A C -0.262 177.379 177.584 0.095 0.000 1.080 1197 A CA -0.167 51.970 52.037 0.167 0.000 0.779 1197 A CB -0.195 18.953 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 -0.118 175.639 175.510 0.412 0.000 1.482 1198 N CA -0.821 52.366 53.050 0.229 0.000 0.785 1198 N CB 0.350 38.946 38.487 0.181 0.000 1.680 1198 N HN 0.298 nan 8.380 nan 0.000 0.594 1199 N N -0.565 118.401 118.700 0.443 0.000 2.520 1199 N HA -0.037 4.703 4.740 0.000 0.000 0.185 1199 N C -0.025 175.695 175.510 0.350 0.000 1.068 1199 N CA 0.669 54.020 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 -1.023 117.814 118.700 0.228 0.000 2.388 1200 N HA -0.025 4.715 4.740 0.000 0.000 0.176 1200 N C 1.505 177.084 175.510 0.115 0.000 1.062 1200 N CA 0.807 53.956 53.050 0.165 0.000 0.895 1200 N CB 0.387 38.951 38.487 0.130 0.000 1.018 1200 N HN 0.245 nan 8.380 nan 0.000 0.456 1201 T N -2.850 111.756 114.554 0.086 0.000 3.000 1201 T HA 0.311 4.661 4.350 0.000 0.000 0.248 1201 T C 1.847 176.511 174.700 -0.060 0.000 1.034 1201 T CA 0.158 62.284 62.100 0.044 0.000 1.060 1201 T CB 0.099 69.013 68.868 0.076 0.000 0.983 1201 T HN 0.039 nan 8.240 nan 0.000 0.482 1202 A N 0.806 123.479 122.820 -0.245 0.000 2.066 1202 A HA 0.410 4.730 4.320 0.000 0.000 0.218 1202 A C 0.286 177.362 177.584 -0.846 0.000 1.157 1202 A CA 0.171 51.827 52.037 -0.635 0.000 0.670 1202 A CB -0.626 17.771 19.000 -1.005 0.000 0.804 1202 A HN 0.600 nan 8.150 nan 0.000 0.453 1203 F N -0.843 119.165 119.950 0.096 0.000 2.477 1203 F HA 0.649 5.176 4.527 0.000 0.000 0.335 1203 F C 0.221 176.054 175.800 0.054 0.000 1.130 1203 F CA -0.811 57.228 58.000 0.066 0.000 0.948 1203 F CB 1.742 40.760 39.000 0.030 0.000 1.154 1203 F HN 0.050 nan 8.300 nan 0.000 0.439 1204 A N 2.210 125.140 122.820 0.183 0.000 2.304 1204 A HA 0.854 5.174 4.320 0.000 0.000 0.323 1204 A C -0.211 177.429 177.584 0.094 0.000 1.195 1204 A CA -0.633 51.469 52.037 0.107 0.000 0.826 1204 A CB 0.678 19.709 19.000 0.051 0.000 1.184 1204 A HN 0.943 nan 8.150 nan 0.000 0.496 1205 A N 1.800 124.664 122.820 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 -0.295 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 1.215 nan 8.150 nan 0.000 0.491 1206 V N 1.371 121.294 119.914 0.014 0.000 2.694 1206 V HA 0.353 4.473 4.120 0.000 0.000 0.306 1206 V C 1.705 177.804 176.094 0.009 0.000 1.054 1206 V CA 1.855 64.159 62.300 0.007 0.000 1.161 1206 V CB 0.012 31.832 31.823 -0.004 0.000 0.916 1206 V HN 1.982 nan 8.190 nan 0.000 0.490 1207 G N 3.132 111.936 108.800 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 0.383 175.288 174.900 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 -0.234 122.596 122.820 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 52.072 52.037 0.024 0.000 0.839 1208 A CB 0.451 19.472 19.000 0.035 0.000 1.121 1208 A HN 0.491 nan 8.150 nan 0.000 0.496 1209 N N 1.163 119.884 118.700 0.035 0.000 2.452 1209 N HA 0.137 4.877 4.740 0.000 0.000 0.266 1209 N C -1.776 173.757 175.510 0.038 0.000 1.209 1209 N CA -1.284 51.802 53.050 0.060 0.000 0.929 1209 N CB 1.008 39.534 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 1.504 178.633 177.300 -0.286 0.000 1.268 1210 P CA -0.135 62.896 63.100 -0.115 0.000 0.833 1210 P CB 0.472 32.084 31.700 -0.147 0.000 1.231 1211 L N 1.558 122.630 121.223 -0.251 0.000 2.010 1211 L HA -0.187 4.153 4.340 0.000 0.000 0.219 1211 L C 1.737 178.402 176.870 -0.341 0.000 1.077 1211 L CA 2.207 56.770 54.840 -0.462 0.000 0.773 1211 L CB -0.889 41.143 42.059 -0.045 0.000 0.892 1211 L HN -0.120 nan 8.230 nan 0.000 0.436 1212 E N -0.002 120.159 120.200 -0.065 0.000 2.474 1212 E HA 0.287 4.637 4.350 0.000 0.000 0.195 1212 E C 0.687 177.307 176.600 0.032 0.000 1.039 1212 E CA 0.574 57.019 56.400 0.075 0.000 0.881 1212 E CB -0.067 29.717 29.700 0.139 0.000 0.970 1212 E HN 0.577 nan 8.360 nan 0.000 0.486 1213 A N 0.749 123.536 122.820 -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 51.555 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 -1.570 118.942 120.570 -0.097 0.000 3.039 1214 I HA 0.120 4.290 4.170 0.000 0.000 0.270 1214 I C -0.352 175.575 176.117 -0.317 0.000 1.150 1214 I CA 0.656 61.867 61.300 -0.149 0.000 1.448 1214 I CB -0.011 37.962 38.000 -0.045 0.000 1.197 1214 I HN 0.586 nan 8.210 nan 0.000 0.450 1215 Y N 0.343 120.661 120.300 0.030 0.000 2.499 1215 Y HA 0.564 5.114 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 57.416 58.100 0.087 0.000 1.044 1215 Y CB 1.762 40.327 38.460 0.175 0.000 1.245 1215 Y HN -0.062 nan 8.280 nan 0.000 0.461 1216 Q N 1.294 121.215 119.800 0.201 0.000 2.389 1216 Q HA 0.770 5.110 4.340 0.000 0.000 0.277 1216 Q C -0.980 175.075 176.000 0.091 0.000 1.082 1216 Q CA -0.640 55.232 55.803 0.116 0.000 0.810 1216 Q CB 2.694 31.455 28.738 0.039 0.000 1.374 1216 Q HN 0.970 nan 8.270 nan 0.000 0.422 1217 G N 0.339 109.169 108.800 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 -0.207 174.665 174.900 -0.047 0.000 1.375 1217 G CA -0.129 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 -0.839 121.924 122.820 -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 -0.321 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 -1.704 106.882 108.800 -0.358 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 0.864 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 1.452 124.218 122.820 -0.089 0.000 1.892 1220 A HA 0.103 4.423 4.320 0.000 0.000 0.218 1220 A C 2.771 180.345 177.584 -0.018 0.000 1.188 1220 A CA 2.234 54.259 52.037 -0.019 0.000 0.631 1220 A CB -0.734 18.317 19.000 0.086 0.000 0.822 1220 A HN 0.806 nan 8.150 nan 0.000 0.447 1221 A N -0.647 122.190 122.820 0.029 0.000 2.032 1221 A HA -0.174 4.146 4.320 0.000 0.000 0.221 1221 A C 1.343 178.933 177.584 0.010 0.000 1.165 1221 A CA 1.807 53.873 52.037 0.049 0.000 0.645 1221 A CB -0.357 18.685 19.000 0.070 0.000 0.807 1221 A HN 0.489 nan 8.150 nan 0.000 0.453 1222 D N -1.236 119.162 120.400 -0.004 0.000 2.424 1222 D HA 0.200 4.840 4.640 0.000 0.000 0.220 1222 D C -0.366 175.817 176.300 -0.195 0.000 1.150 1222 D CA -0.044 53.924 54.000 -0.053 0.000 0.831 1222 D CB -0.095 40.712 40.800 0.012 0.000 0.981 1222 D HN 0.290 nan 8.370 nan 0.000 0.500 1223 C N 1.541 120.601 119.300 -0.400 0.000 2.398 1223 C HA 0.571 5.031 4.460 0.000 0.000 0.364 1223 C C 0.529 175.007 174.990 -0.852 0.000 1.219 1223 C CA -0.507 58.032 59.018 -0.799 0.000 2.312 1223 C CB 0.875 27.757 27.740 -1.429 0.000 2.428 1223 C HN 0.400 nan 8.230 nan 0.000 0.564 1224 E N 0.607 120.400 120.200 -0.678 0.000 2.407 1224 E HA 0.457 4.807 4.350 0.000 0.000 0.279 1224 E C -1.733 174.819 176.600 -0.081 0.000 1.012 1224 E CA -0.686 55.587 56.400 -0.211 0.000 0.800 1224 E CB 0.625 30.300 29.700 -0.041 0.000 1.276 1224 E HN 0.401 nan 8.360 nan 0.000 0.452 1225 F N 1.462 121.529 119.950 0.196 0.000 2.427 1225 F HA 0.156 4.684 4.527 0.000 0.000 0.352 1225 F C 1.780 177.601 175.800 0.034 0.000 1.100 1225 F CA 0.045 58.127 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 2.430 122.738 120.200 0.181 0.000 2.076 1226 E HA -0.047 4.303 4.350 0.000 0.000 0.190 1226 E C -0.240 176.396 176.600 0.059 0.000 0.979 1226 E CA 0.890 57.339 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 -1.012 119.222 120.200 0.056 0.000 2.398 1227 E HA 0.351 4.701 4.350 0.000 0.000 0.280 1227 E C -1.305 175.160 176.600 -0.224 0.000 1.122 1227 E CA -0.688 55.639 56.400 -0.122 0.000 0.873 1227 E CB 0.543 30.163 29.700 -0.134 0.000 1.294 1227 E HN 0.044 nan 8.360 nan 0.000 0.435 1228 I N 0.960 121.162 120.570 -0.614 0.000 2.647 1228 I HA 0.565 4.735 4.170 0.000 0.000 0.295 1228 I C -0.894 174.795 176.117 -0.714 0.000 1.078 1228 I CA -0.945 59.929 61.300 -0.711 0.000 1.048 1228 I CB 2.217 39.530 38.000 -1.144 0.000 1.239 1228 I HN 0.562 nan 8.210 nan 0.000 0.421 1229 S N 4.169 119.647 115.700 -0.370 0.000 2.549 1229 S HA 0.783 5.253 4.470 0.000 0.000 0.280 1229 S C -1.591 172.946 174.600 -0.105 0.000 1.109 1229 S CA -0.434 57.608 58.200 -0.262 0.000 0.905 1229 S CB 1.447 64.533 63.200 -0.190 0.000 1.081 1229 S HN 0.483 nan 8.310 nan 0.000 0.477 1230 Y N -0.189 120.026 120.300 -0.142 0.000 2.562 1230 Y HA 0.828 5.378 4.550 0.000 0.000 0.345 1230 Y C -0.868 175.004 175.900 -0.046 0.000 1.045 1230 Y CA -0.842 57.234 58.100 -0.040 0.000 1.028 1230 Y CB 1.408 39.913 38.460 0.075 0.000 1.297 1230 Y HN 0.435 nan 8.280 nan 0.000 0.463 1231 T N 2.880 117.546 114.554 0.186 0.000 2.928 1231 T HA 0.537 4.887 4.350 0.000 0.000 0.296 1231 T C -1.450 173.332 174.700 0.137 0.000 1.000 1231 T CA -0.653 61.468 62.100 0.035 0.000 0.989 1231 T CB 1.526 70.357 68.868 -0.063 0.000 1.005 1231 T HN 0.625 nan 8.240 nan 0.000 0.442 1232 V N 4.067 124.035 119.914 0.090 0.000 2.398 1232 V HA 0.488 4.608 4.120 0.000 0.000 0.286 1232 V C -1.146 174.980 176.094 0.053 0.000 1.026 1232 V CA -0.768 61.627 62.300 0.158 0.000 0.868 1232 V CB 0.909 32.826 31.823 0.158 0.000 0.982 1232 V HN 0.818 nan 8.190 nan 0.000 0.443 1233 Y N 2.973 123.453 120.300 0.300 0.000 2.352 1233 Y HA 0.499 5.049 4.550 0.000 0.000 0.339 1233 Y C 0.297 176.393 175.900 0.326 0.000 0.992 1233 Y CA -0.330 57.944 58.100 0.290 0.000 1.100 1233 Y CB 1.731 40.359 38.460 0.280 0.000 1.192 1233 Y HN 0.565 nan 8.280 nan 0.000 0.458 1234 Q N 2.164 122.230 119.800 0.443 0.000 2.271 1234 Q HA 0.443 4.783 4.340 0.000 0.000 0.258 1234 Q C -0.887 175.279 176.000 0.277 0.000 0.936 1234 Q CA -0.572 55.408 55.803 0.296 0.000 0.909 1234 Q CB 1.326 30.266 28.738 0.338 0.000 1.253 1234 Q HN 0.653 nan 8.270 nan 0.000 0.440 1235 S N 4.385 120.152 115.700 0.111 0.000 2.433 1235 S HA 0.622 5.092 4.470 0.000 0.000 0.310 1235 S C -1.370 173.310 174.600 0.133 0.000 1.097 1235 S CA -0.378 57.913 58.200 0.151 0.000 1.103 1235 S CB 0.228 63.623 63.200 0.325 0.000 0.992 1235 S HN 0.572 nan 8.310 nan 0.000 0.469 1236 Y N 2.081 122.380 120.300 -0.002 0.000 2.689 1236 Y HA 0.726 5.276 4.550 0.000 0.000 0.333 1236 Y C -1.813 174.083 175.900 -0.006 0.000 1.190 1236 Y CA -1.583 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 0.415 nan 8.280 nan 0.000 0.466 1237 L N 2.412 123.714 121.223 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 -0.566 54.296 54.840 0.037 0.000 0.816 1237 L CB 1.431 43.494 42.059 0.007 0.000 1.236 1237 L HN 0.688 nan 8.230 nan 0.000 0.419 1238 D N 1.816 122.289 120.400 0.121 0.000 2.449 1238 D HA 0.237 4.877 4.640 0.000 0.000 0.250 1238 D C -0.339 176.022 176.300 0.102 0.000 1.050 1238 D CA -0.016 54.090 54.000 0.177 0.000 1.024 1238 D CB 1.428 42.370 40.800 0.236 0.000 1.218 1238 D HN 0.363 nan 8.370 nan 0.000 0.566 1239 Q N 0.159 120.012 119.800 0.088 0.000 2.470 1239 Q HA -0.172 4.168 4.340 0.000 0.000 0.294 1239 Q C -0.480 175.536 176.000 0.027 0.000 1.356 1239 Q CA 0.363 56.207 55.803 0.069 0.000 0.805 1239 Q CB -1.847 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 2.011 123.202 121.223 -0.053 0.000 2.490 1240 L HA 0.119 4.459 4.340 0.000 0.000 0.274 1240 L C -1.054 175.790 176.870 -0.044 0.000 1.201 1240 L CA -1.092 53.656 54.840 -0.154 0.000 0.869 1240 L CB -0.206 41.553 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 -0.822 176.572 177.300 0.157 0.000 1.216 1241 P CA -0.178 62.963 63.100 0.068 0.000 0.771 1241 P CB 1.385 33.109 31.700 0.041 0.000 0.864 1242 V N 2.441 122.459 119.914 0.174 0.000 2.667 1242 V HA 0.760 4.880 4.120 0.000 0.000 0.308 1242 V C 0.903 177.057 176.094 0.100 0.000 1.048 1242 V CA -0.151 62.264 62.300 0.191 0.000 0.928 1242 V CB 1.706 33.624 31.823 0.159 0.000 1.004 1242 V HN 0.903 nan 8.190 nan 0.000 0.444 1243 G N 1.170 110.018 108.800 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 0.544 175.462 174.900 0.029 0.000 1.220 1243 G CA 0.572 45.701 45.100 0.048 0.000 0.875 1243 G HN 0.745 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 -0.168 4.172 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 2.959 58.769 55.803 0.012 0.000 0.857 1244 Q CB -1.987 26.758 28.738 0.011 0.000 0.925 1244 Q HN 1.335 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 1.465 176.970 175.510 -0.008 0.000 1.062 1245 N CA 1.780 54.832 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 1.579 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 -0.809 174.137 174.900 0.076 0.000 1.308 1246 G CA -0.415 44.667 45.100 -0.029 0.000 1.207 1246 G HN 0.453 nan 8.290 nan 0.000 0.505 1247 Y N 0.916 121.226 120.300 0.018 0.000 2.805 1247 Y HA 0.225 4.775 4.550 0.000 0.000 0.331 1247 Y C 1.339 177.249 175.900 0.018 0.000 1.241 1247 Y CA -0.090 58.022 58.100 0.020 0.000 1.546 1247 Y CB 0.201 38.675 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 -0.477 175.674 176.117 0.056 0.000 1.078 1248 I CA 0.264 61.619 61.300 0.091 0.000 1.292 1248 I CB 0.056 38.094 38.000 0.062 0.000 1.423 1248 I HN 0.365 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 -2.421 174.458 176.870 0.016 0.000 0.991 1249 L CA -1.877 52.979 54.840 0.027 0.000 0.818 1249 L CB 2.528 44.613 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 0.646 177.941 177.300 -0.008 0.000 1.428 1250 P CA -0.234 62.861 63.100 -0.010 0.000 0.995 1250 P CB 0.657 32.344 31.700 -0.022 0.000 1.286 1251 L N 2.686 123.908 121.223 -0.002 0.000 2.131 1251 L HA -0.155 4.185 4.340 0.000 0.000 0.210 1251 L C 2.372 179.234 176.870 -0.013 0.000 1.092 1251 L CA 1.305 56.146 54.840 0.002 0.000 0.759 1251 L CB -0.521 41.543 42.059 0.008 0.000 0.903 1251 L HN 0.278 nan 8.230 nan 0.000 0.435 1252 I N -0.419 120.132 120.570 -0.032 0.000 2.233 1252 I HA -0.233 3.937 4.170 0.000 0.000 0.243 1252 I C 2.111 178.182 176.117 -0.077 0.000 1.093 1252 I CA 1.015 62.281 61.300 -0.056 0.000 1.380 1252 I CB -0.420 37.536 38.000 -0.073 0.000 1.067 1252 I HN 0.201 nan 8.210 nan 0.000 0.413 1253 D N 1.332 121.685 120.400 -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 1.473 55.419 54.000 -0.088 0.000 0.834 1253 D CB -0.394 40.369 40.800 -0.062 0.000 0.956 1253 D HN 0.277 nan 8.370 nan 0.000 0.448 1254 L N 0.408 121.625 121.223 -0.010 0.000 2.465 1254 L HA -0.016 4.324 4.340 0.000 0.000 0.224 1254 L C 1.710 178.603 176.870 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 -3.023 112.683 115.700 0.010 0.000 2.568 1255 S HA 0.152 4.622 4.470 0.000 0.000 0.232 1255 S C 0.565 175.161 174.600 -0.007 0.000 0.975 1255 S CA -0.535 57.672 58.200 0.013 0.000 0.949 1255 S CB 0.083 63.287 63.200 0.007 0.000 0.829 1255 S HN 0.111 nan 8.310 nan 0.000 0.479 1256 T N 2.748 117.286 114.554 -0.026 0.000 2.855 1256 T HA 0.603 4.953 4.350 0.000 0.000 0.281 1256 T C -0.608 174.086 174.700 -0.011 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 2.945 124.163 121.223 -0.009 0.000 2.295 1257 L HA 0.505 4.845 4.340 0.000 0.000 0.285 1257 L C -1.028 175.929 176.870 0.146 0.000 1.035 1257 L CA -1.130 53.686 54.840 -0.040 0.000 0.806 1257 L CB 0.875 42.791 42.059 -0.238 0.000 1.214 1257 L HN 0.628 nan 8.230 nan 0.000 0.426 1258 Y N 4.073 124.426 120.300 0.088 0.000 2.388 1258 Y HA 0.487 5.037 4.550 0.000 0.000 0.328 1258 Y C -0.928 174.926 175.900 -0.078 0.000 0.963 1258 Y CA -1.138 57.062 58.100 0.166 0.000 1.240 1258 Y CB 0.646 39.336 38.460 0.383 0.000 1.118 1258 Y HN 0.530 nan 8.280 nan 0.000 0.484 1259 N N 5.855 124.108 118.700 -0.744 0.000 2.312 1259 N HA 0.572 5.312 4.740 0.000 0.000 0.296 1259 N C -1.519 173.476 175.510 -0.858 0.000 1.193 1259 N CA -0.660 51.893 53.050 -0.827 0.000 0.773 1259 N CB 2.367 40.362 38.487 -0.820 0.000 1.435 1259 N HN 0.566 nan 8.380 nan 0.000 0.484 1260 L N 0.492 121.421 121.223 -0.490 0.000 2.346 1260 L HA 0.584 4.924 4.340 0.000 0.000 0.276 1260 L C 0.019 176.889 176.870 0.000 0.000 1.006 1260 L CA -0.545 54.185 54.840 -0.184 0.000 0.817 1260 L CB 1.712 43.650 42.059 -0.203 0.000 1.272 1260 L HN 0.380 nan 8.230 nan 0.000 0.421 1261 E N 2.078 122.417 120.200 0.232 0.000 2.390 1261 E HA 0.344 4.694 4.350 0.000 0.000 0.277 1261 E C -1.506 175.202 176.600 0.181 0.000 0.939 1261 E CA -0.819 55.718 56.400 0.230 0.000 0.769 1261 E CB 3.090 33.009 29.700 0.364 0.000 1.251 1261 E HN 0.670 nan 8.360 nan 0.000 0.450 1262 N N -0.012 118.730 118.700 0.070 0.000 2.453 1262 N HA 0.566 5.306 4.740 0.000 0.000 0.290 1262 N C -1.085 174.472 175.510 0.079 0.000 1.250 1262 N CA -0.609 52.413 53.050 -0.047 0.000 0.815 1262 N CB 1.852 40.214 38.487 -0.210 0.000 1.381 1262 N HN 0.473 nan 8.380 nan 0.000 0.510 1263 S N -1.994 113.754 115.700 0.080 0.000 2.615 1263 S HA 0.863 5.333 4.470 0.000 0.000 0.269 1263 S C -1.658 173.018 174.600 0.126 0.000 1.161 1263 S CA -0.897 57.380 58.200 0.129 0.000 0.817 1263 S CB 1.096 64.413 63.200 0.196 0.000 1.131 1263 S HN 1.093 nan 8.310 nan 0.000 0.467 1264 A N 0.859 123.760 122.820 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 20.699 19.000 0.147 0.000 1.267 1264 A HN 0.689 nan 8.150 nan 0.000 0.418 1265 Q N 0.094 120.011 119.800 0.195 0.000 2.372 1265 Q HA 0.726 5.066 4.340 0.000 0.000 0.273 1265 Q C -0.703 175.472 176.000 0.290 0.000 1.078 1265 Q CA -0.598 55.366 55.803 0.269 0.000 0.806 1265 Q CB 2.519 31.464 28.738 0.345 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 0.208 177.911 177.584 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 1.003 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 -0.025 0.000 1.023 1267 G CA -0.082 45.078 45.100 0.100 0.000 0.688 1267 G HN 0.780 nan 8.290 nan 0.000 0.499 1268 L N 1.378 122.362 121.223 -0.399 0.000 2.397 1268 L HA 0.684 5.024 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 0.295 54.864 54.840 -0.452 0.000 0.825 1268 L CB 1.445 43.112 42.059 -0.654 0.000 1.117 1268 L HN 0.162 nan 8.230 nan 0.000 0.456 1269 T N 2.400 116.896 114.554 -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 70.782 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 -0.904 117.755 118.700 -0.069 0.000 2.753 1271 N HA -0.144 4.596 4.740 0.000 0.000 0.251 1271 N C -0.609 174.867 175.510 -0.057 0.000 1.097 1271 N CA 0.756 53.767 53.050 -0.065 0.000 0.786 1271 N CB -1.650 36.821 38.487 -0.027 0.000 1.137 1271 N HN 0.186 nan 8.380 nan 0.000 0.566 1272 V N 0.917 120.792 119.914 -0.064 0.000 2.555 1272 V HA 0.233 4.353 4.120 0.000 0.000 0.302 1272 V C 0.091 176.158 176.094 -0.046 0.000 1.038 1272 V CA -0.848 61.433 62.300 -0.032 0.000 0.887 1272 V CB 2.161 33.984 31.823 -0.001 0.000 0.991 1272 V HN -0.053 nan 8.190 nan 0.000 0.434 1273 D N 3.315 123.699 120.400 -0.027 0.000 2.434 1273 D HA 0.126 4.766 4.640 0.000 0.000 0.252 1273 D C -0.571 175.746 176.300 0.029 0.000 1.185 1273 D CA 0.495 54.475 54.000 -0.033 0.000 0.886 1273 D CB 0.419 41.222 40.800 0.006 0.000 1.148 1273 D HN 0.342 nan 8.370 nan 0.000 0.483 1274 F N 3.602 123.461 119.950 -0.153 0.000 2.385 1274 F HA 0.326 4.853 4.527 0.000 0.000 0.360 1274 F C -0.722 175.024 175.800 -0.090 0.000 1.122 1274 F CA -0.804 57.124 58.000 -0.120 0.000 1.090 1274 F CB 0.808 39.709 39.000 -0.165 0.000 1.150 1274 F HN -0.000 nan 8.300 nan 0.000 0.472 1275 V N 6.965 126.612 119.914 -0.446 0.000 2.384 1275 V HA 0.395 4.515 4.120 0.000 0.000 0.287 1275 V C -0.568 175.277 176.094 -0.415 0.000 1.020 1275 V CA -0.893 61.219 62.300 -0.313 0.000 0.850 1275 V CB 1.419 33.135 31.823 -0.178 0.000 0.987 1275 V HN 0.492 nan 8.190 nan 0.000 0.436 1276 V N 5.468 125.236 119.914 -0.243 0.000 2.328 1276 V HA 0.317 4.437 4.120 0.000 0.000 0.278 1276 V C 0.227 176.190 176.094 -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 32.846 31.823 -0.100 0.000 0.999 1276 V HN 0.926 nan 8.190 nan 0.000 0.447 1277 Q N 3.220 122.901 119.800 -0.197 0.000 2.352 1277 Q HA 0.345 4.685 4.340 0.000 0.000 0.260 1277 Q C -1.143 174.613 176.000 -0.405 0.000 0.976 1277 Q CA -0.025 55.649 55.803 -0.215 0.000 0.881 1277 Q CB 0.980 29.648 28.738 -0.117 0.000 1.235 1277 Q HN 0.655 nan 8.270 nan 0.000 0.419 1278 Y N 0.207 120.255 120.300 -0.419 0.000 2.320 1278 Y HA 0.403 4.953 4.550 0.000 0.000 0.324 1278 Y C 0.482 175.941 175.900 -0.734 0.000 1.190 1278 Y CA -0.565 57.155 58.100 -0.632 0.000 1.215 1278 Y CB 1.077 39.127 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 -0.255 177.127 177.584 -0.336 0.000 1.096 1279 A CA -0.728 50.877 52.037 -0.720 0.000 0.822 1279 A CB 0.057 18.822 19.000 -0.391 0.000 1.088 1279 A HN 0.876 nan 8.150 nan 0.000 0.495 1280 N N -1.424 117.111 118.700 -0.275 0.000 2.447 1280 N HA 0.480 5.220 4.740 0.000 0.000 0.271 1280 N C 0.203 175.609 175.510 -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 -1.048 176.103 176.870 0.470 0.000 0.695 1281 L CA 1.596 56.542 54.840 0.178 0.000 3.096 1281 L CB -1.768 40.337 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 0.804 176.712 175.900 0.013 0.000 1.172 1282 Y CA -0.918 57.059 58.100 -0.206 0.000 1.280 1282 Y CB 0.500 38.362 38.460 -0.997 0.000 1.234 1282 Y HN 0.070 nan 8.280 nan 0.000 0.512 1283 R N 3.862 124.459 120.500 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 55.550 56.100 0.155 0.000 1.002 1283 R CB 0.272 30.598 30.300 0.044 0.000 1.136 1283 R HN 0.578 nan 8.270 nan 0.000 0.509 1284 Y N 2.961 123.366 120.300 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 -0.190 58.028 58.100 0.196 0.000 1.306 1284 Y CB 0.606 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 1.910 123.252 121.223 0.198 0.000 2.162 1285 L HA 0.027 4.367 4.340 0.000 0.000 0.205 1285 L C 0.770 177.748 176.870 0.179 0.000 1.086 1285 L CA 0.629 55.526 54.840 0.095 0.000 0.778 1285 L CB -0.129 41.906 42.059 -0.039 0.000 0.928 1285 L HN 0.623 nan 8.230 nan 0.000 0.446 1286 S N -1.967 113.903 115.700 0.283 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 57.656 58.200 0.234 0.000 0.837 1286 S CB 2.380 65.766 63.200 0.310 0.000 1.124 1286 S HN -0.071 nan 8.310 nan 0.000 0.465 1287 T N 1.982 116.647 114.554 0.186 0.000 2.886 1287 T HA 0.612 4.962 4.350 0.000 0.000 0.292 1287 T C -0.933 173.784 174.700 0.027 0.000 1.012 1287 T CA -0.421 61.745 62.100 0.110 0.000 0.982 1287 T CB 0.884 69.850 68.868 0.163 0.000 1.018 1287 T HN 0.660 nan 8.240 nan 0.000 0.451 1288 I N 2.273 122.804 120.570 -0.065 0.000 2.465 1288 I HA 0.710 4.880 4.170 0.000 0.000 0.291 1288 I C -0.378 175.664 176.117 -0.124 0.000 1.014 1288 I CA -0.980 60.372 61.300 0.087 0.000 1.093 1288 I CB 1.752 39.945 38.000 0.322 0.000 1.267 1288 I HN 0.727 nan 8.210 nan 0.000 0.431 1289 A N 6.368 129.176 122.820 -0.018 0.000 2.335 1289 A HA 0.745 5.065 4.320 0.000 0.000 0.304 1289 A C -1.098 176.636 177.584 0.250 0.000 1.118 1289 A CA -0.472 51.551 52.037 -0.024 0.000 0.757 1289 A CB 1.377 20.240 19.000 -0.229 0.000 1.188 1289 A HN 0.394 nan 8.150 nan 0.000 0.460 1290 V N 3.309 123.391 119.914 0.279 0.000 2.370 1290 V HA 0.317 4.437 4.120 0.000 0.000 0.283 1290 V C -0.659 175.670 176.094 0.391 0.000 1.023 1290 V CA -0.389 62.116 62.300 0.341 0.000 0.857 1290 V CB 1.208 33.198 31.823 0.280 0.000 0.985 1290 V HN 0.778 nan 8.190 nan 0.000 0.443 1291 F N 5.321 125.401 119.950 0.217 0.000 2.451 1291 F HA 0.367 4.894 4.527 0.000 0.000 0.356 1291 F C 0.442 176.150 175.800 -0.152 0.000 1.178 1291 F CA -1.853 56.183 58.000 0.059 0.000 1.210 1291 F CB 0.175 39.226 39.000 0.085 0.000 1.504 1291 F HN 0.607 nan 8.300 nan 0.000 0.598 1292 D N 4.126 124.531 120.400 0.009 0.000 2.435 1292 D HA -0.027 4.613 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 0.089 53.777 54.000 -0.520 0.000 0.947 1292 D CB -0.315 40.429 40.800 -0.093 0.000 1.048 1292 D HN 0.255 nan 8.370 nan 0.000 0.512 1293 N N 2.864 120.992 118.700 -0.954 0.000 3.178 1293 N HA 0.198 4.938 4.740 0.000 0.000 0.300 1293 N C 0.741 175.956 175.510 -0.491 0.000 1.242 1293 N CA 0.455 52.998 53.050 -0.846 0.000 1.192 1293 N CB -0.463 37.328 38.487 -1.159 0.000 1.463 1293 N HN 0.616 nan 8.380 nan 0.000 0.539 1294 G N 0.791 109.400 108.800 -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 0.965 175.741 174.900 -0.207 0.000 1.055 1294 G CA 0.514 45.492 45.100 -0.202 0.000 0.922 1294 G HN 1.085 nan 8.290 nan 0.000 0.503 1295 G N -2.338 106.296 108.800 -0.277 0.000 2.195 1295 G HA2 -0.053 3.907 3.960 0.000 0.000 0.246 1295 G HA3 -0.053 3.907 3.960 0.000 0.000 0.246 1295 G C 0.460 175.237 174.900 -0.205 0.000 0.984 1295 G CA 0.682 45.687 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 -0.822 173.385 174.600 -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 63.968 63.200 -0.269 0.000 1.019 1296 S HN 0.306 nan 8.310 nan 0.000 0.492 1297 F N 2.911 122.756 119.950 -0.175 0.000 2.445 1297 F HA 0.441 4.968 4.527 0.000 0.000 0.348 1297 F C 0.466 176.201 175.800 -0.109 0.000 1.125 1297 F CA -0.853 57.051 58.000 -0.160 0.000 0.983 1297 F CB 1.175 40.081 39.000 -0.156 0.000 1.198 1297 F HN 0.390 nan 8.300 nan 0.000 0.436 1298 N N 1.420 120.115 118.700 -0.010 0.000 2.430 1298 N HA 0.514 5.254 4.740 0.000 0.000 0.298 1298 N C -0.487 175.083 175.510 0.100 0.000 1.130 1298 N CA -0.706 52.358 53.050 0.024 0.000 0.894 1298 N CB 2.197 40.665 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 0.091 0.000 3.037 1299 A HA 0.469 4.789 4.320 0.000 0.000 0.272 1299 A C 1.329 179.014 177.584 0.167 0.000 1.723 1299 A CA 0.279 52.385 52.037 0.115 0.000 1.413 1299 A CB -1.394 17.652 19.000 0.078 0.000 1.112 1299 A HN 0.906 nan 8.150 nan 0.000 0.606 1300 G N 1.124 110.088 108.800 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 1.277 176.259 174.900 0.136 0.000 0.984 1300 G CA 1.610 46.864 45.100 0.257 0.000 0.626 1300 G HN 1.496 nan 8.290 nan 0.000 0.540 1301 T N -0.747 113.868 114.554 0.102 0.000 3.007 1301 T HA 0.059 4.409 4.350 0.000 0.000 0.270 1301 T C 1.508 176.235 174.700 0.046 0.000 1.107 1301 T CA 1.796 63.932 62.100 0.060 0.000 1.118 1301 T CB -0.196 68.696 68.868 0.040 0.000 0.889 1301 T HN 0.605 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 -0.274 40.534 40.800 0.014 0.000 0.953 1302 D HN 0.471 nan 8.370 nan 0.000 0.505 1303 I N 0.431 121.037 120.570 0.061 0.000 2.545 1303 I HA 0.222 4.392 4.170 0.000 0.000 0.292 1303 I C 0.644 176.709 176.117 -0.086 0.000 1.040 1303 I CA -0.881 60.383 61.300 -0.061 0.000 1.068 1303 I CB 2.122 40.021 38.000 -0.168 0.000 1.251 1303 I HN -0.271 nan 8.210 nan 0.000 0.424 1304 N N 3.700 122.302 118.700 -0.164 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 1.372 54.368 53.050 -0.090 0.000 0.851 1304 N CB 0.285 38.677 38.487 -0.159 0.000 1.003 1304 N HN 0.633 nan 8.380 nan 0.000 0.430 1305 Y N -1.942 118.275 120.300 -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 -1.428 56.571 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 -0.276 nan 8.280 nan 0.000 0.453 1306 L N 1.691 122.828 121.223 -0.143 0.000 2.333 1306 L HA 0.929 5.269 4.340 0.000 0.000 0.263 1306 L C -0.096 176.632 176.870 -0.236 0.000 1.014 1306 L CA -0.542 53.970 54.840 -0.547 0.000 0.820 1306 L CB 2.206 43.430 42.059 -1.392 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 -0.372 0.000 2.636 1307 S HA 0.575 5.045 4.470 0.000 0.000 0.266 1307 S C -2.102 172.391 174.600 -0.177 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 1.128 120.937 119.800 0.015 0.000 2.321 1308 Q HA 0.541 4.881 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 -0.597 55.240 55.803 0.056 0.000 0.784 1308 Q CB 2.353 31.176 28.738 0.142 0.000 1.264 1308 Q HN 0.558 nan 8.270 nan 0.000 0.448 1309 R N 1.023 121.546 120.500 0.038 0.000 2.686 1309 R HA 0.547 4.887 4.340 0.000 0.000 0.283 1309 R C -1.189 175.122 176.300 0.017 0.000 0.978 1309 R CA -0.339 55.771 56.100 0.016 0.000 0.897 1309 R CB 1.734 32.036 30.300 0.003 0.000 1.192 1309 R HN 0.699 nan 8.270 nan 0.000 0.457 1310 T N 0.768 115.323 114.554 0.001 0.000 2.794 1310 T HA 0.593 4.943 4.350 0.000 0.000 0.280 1310 T C 0.246 174.942 174.700 -0.008 0.000 0.987 1310 T CA -0.752 61.345 62.100 -0.006 0.000 0.993 1310 T CB 1.671 70.531 68.868 -0.013 0.000 0.939 1310 T HN 0.695 nan 8.240 nan 0.000 0.449 1311 A N 2.515 125.329 122.820 -0.009 0.000 2.566 1311 A HA 0.454 4.774 4.320 0.000 0.000 0.245 1311 A C 1.464 179.042 177.584 -0.010 0.000 1.056 1311 A CA 0.569 52.601 52.037 -0.009 0.000 0.757 1311 A CB -1.952 17.043 19.000 -0.009 0.000 0.979 1311 A HN 2.487 nan 8.150 nan 0.000 0.508 1312 N N -1.032 117.662 118.700 -0.009 0.000 2.756 1312 N HA 0.236 4.976 4.740 0.000 0.000 0.248 1312 N C 0.327 175.831 175.510 -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 -1.943 118.000 119.950 -0.011 0.000 3.281 1313 F HA 0.753 5.280 4.527 0.000 0.000 0.339 1313 F C 1.331 177.123 175.800 -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 38.164 39.000 -0.011 0.000 1.717 1313 F HN 1.985 nan 8.300 nan 0.000 0.480 1314 S N 0.177 115.868 115.700 -0.014 0.000 3.160 1314 S HA -0.201 4.269 4.470 0.000 0.000 0.634 1314 S C -0.365 174.225 174.600 -0.018 0.000 2.861 1314 S CA 1.517 59.706 58.200 -0.019 0.000 3.097 1314 S CB -1.139 62.045 63.200 -0.025 0.000 0.331 1314 S HN 1.119 nan 8.310 nan 0.000 1.767 1315 D N 0.780 121.164 120.400 -0.026 0.000 2.302 1315 D HA 0.461 5.101 4.640 0.000 0.000 0.248 1315 D C 1.215 177.505 176.300 -0.017 0.000 1.094 1315 D CA 0.407 54.394 54.000 -0.021 0.000 0.897 1315 D CB 1.048 41.824 40.800 -0.040 0.000 1.200 1315 D HN 0.639 nan 8.370 nan 0.000 0.429 1316 T N -1.212 113.340 114.554 -0.004 0.000 3.044 1316 T HA 0.045 4.395 4.350 0.000 0.000 0.250 1316 T C 0.690 175.388 174.700 -0.004 0.000 1.081 1316 T CA -0.365 61.730 62.100 -0.007 0.000 1.040 1316 T CB -0.059 68.806 68.868 -0.006 0.000 0.962 1316 T HN 0.597 nan 8.240 nan 0.000 0.506 1317 R N 0.280 120.790 120.500 0.017 0.000 2.747 1317 R HA 0.304 4.644 4.340 0.000 0.000 0.200 1317 R C -0.949 175.419 176.300 0.113 0.000 1.438 1317 R CA -0.653 55.469 56.100 0.037 0.000 1.334 1317 R CB -0.337 29.960 30.300 -0.005 0.000 1.523 1317 R HN 0.084 nan 8.270 nan 0.000 0.741 1318 K N 3.009 123.431 120.400 0.036 0.000 2.310 1318 K HA 0.324 4.644 4.320 0.000 0.000 0.290 1318 K C -0.967 175.651 176.600 0.030 0.000 1.077 1318 K CA -0.178 56.105 56.287 -0.007 0.000 0.922 1318 K CB 0.521 32.906 32.500 -0.192 0.000 1.057 1318 K HN 0.453 nan 8.250 nan 0.000 0.479 1319 L N 3.324 124.652 121.223 0.175 0.000 2.388 1319 L HA 0.340 4.680 4.340 0.000 0.000 0.264 1319 L C -0.423 176.575 176.870 0.214 0.000 0.998 1319 L CA -1.368 53.593 54.840 0.203 0.000 0.817 1319 L CB 2.049 44.301 42.059 0.321 0.000 1.338 1319 L HN 0.745 nan 8.230 nan 0.000 0.414 1320 D N 0.519 121.017 120.400 0.164 0.000 2.368 1320 D HA 0.135 4.775 4.640 0.000 0.000 0.240 1320 D C -2.111 174.296 176.300 0.178 0.000 1.169 1320 D CA -1.151 52.939 54.000 0.150 0.000 0.906 1320 D CB 0.621 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 1.532 64.728 63.100 0.159 0.000 0.858 1321 P CB 0.110 31.873 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 1.954 178.669 176.600 0.192 0.000 1.050 1322 K CA 1.600 57.998 56.287 0.185 0.000 0.938 1322 K CB -0.701 31.875 32.500 0.127 0.000 0.718 1322 K HN 0.156 nan 8.250 nan 0.000 0.442 1323 T N 0.520 115.186 114.554 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 62.843 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 2.151 123.510 121.300 0.098 0.000 2.381 1324 W HA -0.064 4.596 4.660 0.000 0.000 0.301 1324 W C 2.447 179.063 176.519 0.162 0.000 1.205 1324 W CA 1.221 58.641 57.345 0.125 0.000 1.285 1324 W CB -0.564 28.980 29.460 0.140 0.000 1.133 1324 W HN 0.289 nan 8.180 nan 0.000 0.521 1325 A N 0.883 123.974 122.820 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 2.472 54.701 52.037 0.321 0.000 0.635 1325 A CB -1.195 17.972 19.000 0.278 0.000 0.810 1325 A HN 0.288 nan 8.150 nan 0.000 0.446 1326 A N -0.736 122.160 122.820 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 1.692 53.772 52.037 0.071 0.000 0.623 1326 A CB -0.463 18.573 19.000 0.061 0.000 0.818 1326 A HN 0.509 nan 8.150 nan 0.000 0.443 1327 Q N -0.440 119.353 119.800 -0.011 0.000 2.124 1327 Q HA -0.129 4.211 4.340 0.000 0.000 0.202 1327 Q C 2.115 178.108 176.000 -0.011 0.000 0.977 1327 Q CA 2.013 57.778 55.803 -0.064 0.000 0.850 1327 Q CB -1.325 27.288 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 1.819 176.565 174.700 0.076 0.000 1.046 1328 T CA 0.818 62.995 62.100 0.128 0.000 1.139 1328 T CB -0.061 68.933 68.868 0.211 0.000 0.871 1328 T HN 0.268 nan 8.240 nan 0.000 0.454 1329 R N 0.726 121.260 120.500 0.058 0.000 2.159 1329 R HA 0.016 4.356 4.340 0.000 0.000 0.237 1329 R C 2.447 178.761 176.300 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 0.152 120.667 120.500 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 0.697 56.808 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 0.453 120.978 120.500 0.041 0.000 2.146 1331 R HA 0.152 4.492 4.340 0.000 0.000 0.206 1331 R C 2.030 178.325 176.300 -0.008 0.000 1.049 1331 R CA 0.772 56.901 56.100 0.048 0.000 1.029 1331 R CB 0.029 30.415 30.300 0.143 0.000 0.949 1331 R HN 0.314 nan 8.270 nan 0.000 0.471 1332 I N -3.934 116.618 120.570 -0.030 0.000 4.050 1332 I HA 0.479 4.649 4.170 0.000 0.000 0.327 1332 I C 0.483 176.581 176.117 -0.031 0.000 1.473 1332 I CA 0.096 61.362 61.300 -0.056 0.000 1.124 1332 I CB 0.890 38.820 38.000 -0.117 0.000 1.129 1332 I HN -0.036 nan 8.210 nan 0.000 0.428 1333 A N 0.249 123.060 122.820 -0.014 0.000 2.861 1333 A HA -0.216 4.104 4.320 0.000 0.000 0.261 1333 A C 0.645 178.227 177.584 -0.003 0.000 1.351 1333 A CA 1.688 53.721 52.037 -0.007 0.000 0.904 1333 A CB -2.303 16.689 19.000 -0.013 0.000 1.076 1333 A HN 0.815 nan 8.150 nan 0.000 0.729 1334 T N -1.870 112.682 114.554 -0.003 0.000 2.654 1334 T HA 0.494 4.844 4.350 0.000 0.000 0.303 1334 T C -2.142 172.558 174.700 0.001 0.000 1.656 1334 T CA 0.134 62.235 62.100 0.002 0.000 0.971 1334 T CB 0.927 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 0.248 120.649 120.400 0.002 0.000 2.181 1335 D HA 0.815 5.455 4.640 0.000 0.000 0.248 1335 D C -0.649 175.618 176.300 -0.055 0.000 1.020 1335 D CA 0.285 54.282 54.000 -0.005 0.000 0.891 1335 D CB 1.200 42.008 40.800 0.012 0.000 1.187 1335 D HN 0.438 nan 8.370 nan 0.000 0.443 1336 F N -0.884 118.999 119.950 -0.113 0.000 0.000 1336 F HA 0.527 5.054 4.527 0.000 0.000 0.000 1336 F C -1.644 nan 175.800 nan 0.000 0.000 1336 F CA -0.411 57.445 58.000 -0.241 0.000 0.000 1336 F CB 0.521 39.273 39.000 -0.413 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 1.649 nan 31.700 nan 0.000 0.000 1338 K N 0.156 120.556 120.400 -0.000 0.000 2.530 1338 K HA 0.380 4.700 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 57.927 56.287 0.017 0.000 1.071 1338 K CB 0.105 32.644 32.500 0.065 0.000 0.876 1338 K HN 1.714 nan 8.250 nan 0.000 0.487 1339 G N 1.177 109.966 108.800 -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 0.018 174.864 174.900 -0.091 0.000 0.977 1339 G CA 0.040 45.202 45.100 0.104 0.000 0.641 1339 G HN 0.428 nan 8.290 nan 0.000 0.533 1340 V N 1.035 120.721 119.914 -0.379 0.000 2.370 1340 V HA 0.645 4.765 4.120 0.000 0.000 0.279 1340 V C -0.300 175.450 176.094 -0.572 0.000 1.029 1340 V CA -0.768 61.344 62.300 -0.314 0.000 0.870 1340 V CB 0.822 32.437 31.823 -0.346 0.000 0.984 1340 V HN 0.252 nan 8.190 nan 0.000 0.451 1341 Y N 4.259 124.663 120.300 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 1.746 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 2.440 123.081 120.300 0.568 0.000 2.468 1342 Y HA 0.681 5.231 4.550 0.000 0.000 0.342 1342 Y C -1.127 175.057 175.900 0.473 0.000 1.021 1342 Y CA -1.796 56.545 58.100 0.400 0.000 1.079 1342 Y CB 1.698 40.267 38.460 0.183 0.000 1.226 1342 Y HN 0.798 nan 8.280 nan 0.000 0.460 1343 C N 6.555 125.577 119.300 -0.465 0.000 2.505 1343 C HA 0.366 4.826 4.460 0.000 0.000 0.342 1343 C C -1.387 173.182 174.990 -0.702 0.000 1.121 1343 C CA -0.701 58.091 59.018 -0.377 0.000 1.306 1343 C CB -0.023 27.893 27.740 0.294 0.000 1.897 1343 C HN 0.887 nan 8.230 nan 0.000 0.446 1344 D N 3.973 124.040 120.400 -0.556 0.000 2.274 1344 D HA 0.322 4.962 4.640 0.000 0.000 0.239 1344 D C 0.036 176.283 176.300 -0.088 0.000 1.104 1344 D CA 0.238 54.088 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 3.442 122.134 118.700 -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 -0.160 52.897 53.050 0.011 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 0.477 121.002 120.500 0.042 0.000 2.081 1346 R HA -0.043 4.297 4.340 0.000 0.000 0.235 1346 R C 0.774 177.082 176.300 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 0.388 120.799 120.400 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 1.253 55.259 54.000 0.010 0.000 0.852 1347 D CB 0.241 41.047 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 -1.427 54.866 56.287 0.011 0.000 1.033 1348 K CB 2.480 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 -0.028 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 -0.194 62.939 63.100 0.056 0.000 0.768 1349 P CB 0.460 32.188 31.700 0.047 0.000 0.838 1350 I N 3.749 124.359 120.570 0.067 0.000 2.587 1350 I HA -0.019 4.151 4.170 0.000 0.000 0.284 1350 I C -0.046 176.197 176.117 0.210 0.000 1.134 1350 I CA 0.415 61.703 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 6.242 126.546 120.300 0.007 0.000 2.317 1351 Y HA 0.158 4.708 4.550 0.000 0.000 0.329 1351 Y C 1.098 177.004 175.900 0.010 0.000 1.101 1351 Y CA -0.873 57.256 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 1.367 115.792 114.554 -0.215 0.000 2.770 1352 T HA 0.062 4.412 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 2.373 64.339 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 -2.136 118.800 121.223 -0.478 0.000 3.211 1353 L HA 0.127 4.467 4.340 0.000 0.000 0.417 1353 L C 0.847 177.609 176.870 -0.180 0.000 0.707 1353 L CA 2.507 57.122 54.840 -0.376 0.000 2.938 1353 L CB -2.629 39.266 42.059 -0.272 0.000 0.825 1353 L HN 1.426 nan 8.230 nan 0.000 0.704 1354 Q N -1.849 117.869 119.800 -0.137 0.000 2.310 1354 Q HA 0.671 5.011 4.340 0.000 0.000 0.270 1354 Q C -0.495 175.486 176.000 -0.032 0.000 1.025 1354 Q CA -0.278 55.493 55.803 -0.054 0.000 0.772 1354 Q CB 0.851 29.566 28.738 -0.038 0.000 1.253 1354 Q HN 1.702 nan 8.270 nan 0.000 0.450 1355 Y N 1.555 121.803 120.300 -0.087 0.000 2.852 1355 Y HA 0.239 4.789 4.550 0.000 0.000 0.343 1355 Y C 1.608 177.474 175.900 -0.057 0.000 1.280 1355 Y CA 2.275 60.328 58.100 -0.079 0.000 1.604 1355 Y CB 0.141 38.550 38.460 -0.084 0.000 1.216 1355 Y HN 1.374 nan 8.280 nan 0.000 0.541 1356 G N 2.069 110.684 108.800 -0.309 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 0.800 175.667 174.900 -0.055 0.000 0.979 1356 G CA 0.691 45.711 45.100 -0.134 0.000 0.650 1356 G HN 1.081 nan 8.290 nan 0.000 0.529 1357 N N -1.056 117.606 118.700 -0.064 0.000 2.364 1357 N HA 0.320 5.060 4.740 0.000 0.000 0.183 1357 N C 0.986 176.478 175.510 -0.031 0.000 1.022 1357 N CA 2.025 55.049 53.050 -0.043 0.000 0.883 1357 N CB 0.153 38.605 38.487 -0.058 0.000 0.965 1357 N HN 1.059 nan 8.380 nan 0.000 0.438 1358 V N -1.050 118.849 119.914 -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 -0.656 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 1.608 110.523 108.800 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 -1.939 173.110 174.900 0.249 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 1.835 121.786 119.950 0.002 0.000 2.410 1360 F HA 0.637 5.164 4.527 0.000 0.000 0.349 1360 F C -0.220 175.559 175.800 -0.034 0.000 1.117 1360 F CA -0.512 57.518 58.000 0.049 0.000 1.104 1360 F CB 1.651 40.622 39.000 -0.048 0.000 1.122 1360 F HN 0.271 nan 8.300 nan 0.000 0.483 1361 V N 6.541 126.150 119.914 -0.508 0.000 2.513 1361 V HA 0.588 4.708 4.120 0.000 0.000 0.299 1361 V C -0.811 175.035 176.094 -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 3.927 123.708 119.914 -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 61.470 62.300 -0.329 0.000 0.856 1362 V CB 1.937 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 7.084 125.428 118.700 -0.594 0.000 2.546 1363 N HA 0.371 5.111 4.740 0.000 0.000 0.238 1363 N C -2.729 172.488 175.510 -0.488 0.000 0.984 1363 N CA -1.618 51.066 53.050 -0.610 0.000 0.935 1363 N CB 2.499 40.307 38.487 -1.132 0.000 1.122 1363 N HN 0.333 nan 8.380 nan 0.000 0.510 1364 P HA 0.144 nan 4.420 nan 0.000 0.279 1364 P C 0.200 177.428 177.300 -0.120 0.000 1.239 1364 P CA -0.197 62.765 63.100 -0.229 0.000 0.789 1364 P CB 2.088 33.647 31.700 -0.235 0.000 0.933 1365 K N 1.626 121.999 120.400 -0.044 0.000 2.128 1365 K HA 0.045 4.365 4.320 0.000 0.000 0.202 1365 K C 0.516 177.115 176.600 -0.003 0.000 1.050 1365 K CA 1.037 57.309 56.287 -0.025 0.000 0.966 1365 K CB 0.158 32.653 32.500 -0.008 0.000 0.759 1365 K HN 0.646 nan 8.250 nan 0.000 0.454 1366 T N -1.424 113.149 114.554 0.031 0.000 2.886 1366 T HA 0.517 4.867 4.350 0.000 0.000 0.292 1366 T C -0.859 173.871 174.700 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 -0.180 nan 8.240 nan 0.000 0.451 1367 V N 4.154 124.079 119.914 0.019 0.000 2.443 1367 V HA 0.467 4.587 4.120 0.000 0.000 0.293 1367 V C -0.320 175.755 176.094 -0.033 0.000 1.021 1367 V CA -1.029 61.289 62.300 0.031 0.000 0.848 1367 V CB 1.307 33.138 31.823 0.015 0.000 0.998 1367 V HN 0.899 nan 8.190 nan 0.000 0.424 1368 N N 2.559 121.212 118.700 -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 52.341 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 1.221 120.983 119.800 -0.063 0.000 2.337 1369 Q HA 0.066 4.406 4.340 0.000 0.000 0.270 1369 Q C -0.095 175.873 176.000 -0.052 0.000 1.002 1369 Q CA 0.366 56.141 55.803 -0.046 0.000 0.888 1369 Q CB 0.096 28.812 28.738 -0.036 0.000 1.222 1369 Q HN 0.471 nan 8.270 nan 0.000 0.400 1370 N N -1.125 117.554 118.700 -0.036 0.000 2.776 1370 N HA -0.178 4.562 4.740 0.000 0.000 0.249 1370 N C -0.730 174.755 175.510 -0.041 0.000 1.111 1370 N CA 0.990 54.022 53.050 -0.029 0.000 0.711 1370 N CB -1.287 37.186 38.487 -0.024 0.000 1.065 1370 N HN 0.675 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 0.174 52.200 52.037 -0.017 0.000 0.798 1371 A CB 0.677 19.706 19.000 0.047 0.000 1.033 1371 A HN 0.479 nan 8.150 nan 0.000 0.488 1372 R N 0.548 121.083 120.500 0.057 0.000 2.709 1372 R HA 0.577 4.917 4.340 0.000 0.000 0.270 1372 R C -2.142 174.227 176.300 0.115 0.000 1.038 1372 R CA -0.928 55.191 56.100 0.031 0.000 0.872 1372 R CB 0.788 31.128 30.300 0.066 0.000 1.259 1372 R HN 0.452 nan 8.270 nan 0.000 0.473 1373 L N 2.514 123.794 121.223 0.094 0.000 2.296 1373 L HA 0.486 4.826 4.340 0.000 0.000 0.286 1373 L C -0.681 176.304 176.870 0.191 0.000 1.023 1373 L CA -1.045 53.887 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 4.770 126.136 121.223 0.238 0.000 2.262 1374 L HA 0.421 4.761 4.340 0.000 0.000 0.288 1374 L C -0.099 176.897 176.870 0.210 0.000 1.035 1374 L CA -0.285 54.730 54.840 0.291 0.000 0.820 1374 L CB 1.129 43.480 42.059 0.488 0.000 1.204 1374 L HN 0.487 nan 8.230 nan 0.000 0.424 1375 M N 2.409 122.031 119.600 0.037 0.000 2.367 1375 M HA 0.549 5.029 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 -0.381 54.763 55.300 -0.261 0.000 1.068 1375 M CB 1.449 33.845 32.600 -0.341 0.000 1.602 1375 M HN 0.565 nan 8.290 nan 0.000 0.457 1376 G N 2.446 110.801 108.800 -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 -2.035 172.422 174.900 -0.738 0.000 1.416 1376 G CA -0.285 44.164 45.100 -1.085 0.000 1.005 1376 G HN 0.581 nan 8.290 nan 0.000 0.509 1377 Y N 0.193 120.514 120.300 0.035 0.000 2.499 1377 Y HA 0.568 5.118 4.550 0.000 0.000 0.347 1377 Y C 0.283 176.427 175.900 0.406 0.000 0.987 1377 Y CA -0.909 57.414 58.100 0.372 0.000 1.044 1377 Y CB 2.738 41.537 38.460 0.564 0.000 1.245 1377 Y HN 0.421 nan 8.280 nan 0.000 0.461 1378 E N 2.369 122.885 120.200 0.527 0.000 2.176 1378 E HA 0.419 4.769 4.350 0.000 0.000 0.267 1378 E C -1.724 175.022 176.600 0.243 0.000 0.893 1378 E CA -0.758 55.788 56.400 0.244 0.000 0.761 1378 E CB 1.693 31.567 29.700 0.290 0.000 1.133 1378 E HN 0.560 nan 8.360 nan 0.000 0.409 1379 Y N 0.849 121.135 120.300 -0.022 0.000 2.670 1379 Y HA 0.587 5.137 4.550 0.000 0.000 0.334 1379 Y C -1.703 174.132 175.900 -0.109 0.000 1.185 1379 Y CA -1.445 56.548 58.100 -0.178 0.000 1.053 1379 Y CB 1.017 39.221 38.460 -0.427 0.000 1.298 1379 Y HN 0.307 nan 8.280 nan 0.000 0.459 1380 F N 0.646 120.693 119.950 0.163 0.000 2.522 1380 F HA 0.716 5.243 4.527 0.000 0.000 0.324 1380 F C 0.117 175.969 175.800 0.087 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 1.118 115.817 114.554 0.242 0.000 2.957 1381 T HA 0.278 4.628 4.350 0.000 0.000 0.336 1381 T C -1.065 173.685 174.700 0.083 0.000 1.462 1381 T CA -0.779 61.411 62.100 0.151 0.000 1.073 1381 T CB 1.213 70.128 68.868 0.078 0.000 1.319 1381 T HN 0.695 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 1.256 175.883 174.600 0.044 0.000 1.329 1382 S CA -0.572 57.653 58.200 0.041 0.000 1.036 1382 S CB 0.948 64.174 63.200 0.043 0.000 0.919 1382 S HN 0.805 nan 8.310 nan 0.000 0.515 1383 R N 1.588 122.101 120.500 0.022 0.000 2.193 1383 R HA 0.048 4.388 4.340 0.000 0.000 0.229 1383 R C 1.505 177.829 176.300 0.039 0.000 1.110 1383 R CA 0.987 57.100 56.100 0.021 0.000 0.988 1383 R CB -1.745 28.567 30.300 0.021 0.000 0.871 1383 R HN 1.085 nan 8.270 nan 0.000 0.458 1384 T N 0.000 114.580 114.554 0.043 0.000 3.816 1384 T HA 0.000 4.350 4.350 0.000 0.000 0.228 1384 T CA 0.000 62.128 62.100 0.046 0.000 1.349 1384 T CB 0.000 68.904 68.868 0.060 0.000 0.612 1384 T HN 0.000 nan 8.240 nan 0.000 0.658