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 1lv8_1_E DATA FIRST_RESID 1003 DATA SEQUENCE NGYTYEDYQD TAKWLLSHTE QRPQVAVICG SGLGGLVNKL TQAQTFDYSE DATA SEQUENCE IPNFPESTVP GHAGRLVFGI LNGRACVMMQ GRFHMYEGYP FWKVTFPVRV DATA SEQUENCE FRLLGVETLV VTNAAGGLNP NFEVGDIMLI RDHINLPGFS GQNPLRGPNE DATA SEQUENCE ERFGVRFPAM SDAYDRDMRQ KAHSTWKQMG EQRELQEGTY VMLGGPNFET DATA SEQUENCE VAECRLLRNL GADAVGMSTV PEVIVARHCG LRVFGFSLIT NKVIMDXXXX DATA SEQUENCE XXXXXXXXXX XXXQAAQKLE QFVSLLMASI PV 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 1003 N HA 0.000 nan 4.740 nan 0.000 0.220 1003 N C 0.000 174.772 175.510 -1.231 0.000 1.280 1003 N CA 0.000 52.363 53.050 -1.146 0.000 0.885 1003 N CB 0.000 38.314 38.487 -0.288 0.000 1.341 1004 G N 1.271 108.721 108.800 -2.250 0.000 3.233 1004 G HA2 0.117 4.077 3.960 0.000 0.000 0.227 1004 G HA3 0.117 4.077 3.960 0.000 0.000 0.227 1004 G C -0.472 173.967 174.900 -0.767 0.000 1.175 1004 G CA 0.420 44.730 45.100 -1.318 0.000 0.781 1004 G HN 0.397 nan 8.290 nan 0.000 0.542 1005 Y N 1.057 121.116 120.300 -0.403 0.000 2.361 1005 Y HA 0.492 5.042 4.550 0.000 0.000 0.332 1005 Y C 0.942 176.797 175.900 -0.076 0.000 1.101 1005 Y CA -1.198 56.767 58.100 -0.224 0.000 1.137 1005 Y CB 1.644 39.911 38.460 -0.322 0.000 1.207 1005 Y HN 0.024 nan 8.280 nan 0.000 0.463 1006 T N -1.386 113.256 114.554 0.147 0.000 2.944 1006 T HA 0.154 4.504 4.350 0.000 0.000 0.284 1006 T C 0.759 175.669 174.700 0.349 0.000 1.010 1006 T CA -0.508 61.715 62.100 0.205 0.000 1.025 1006 T CB 0.744 69.687 68.868 0.125 0.000 1.079 1006 T HN 0.631 nan 8.240 nan 0.000 0.516 1007 Y N 1.159 121.634 120.300 0.292 0.000 2.114 1007 Y HA -0.169 4.381 4.550 0.000 0.000 0.282 1007 Y C 2.421 178.489 175.900 0.280 0.000 1.165 1007 Y CA 2.230 60.531 58.100 0.335 0.000 1.148 1007 Y CB -0.452 38.048 38.460 0.066 0.000 0.972 1007 Y HN 0.870 nan 8.280 nan 0.000 0.504 1008 E N -0.480 119.820 120.200 0.166 0.000 2.209 1008 E HA -0.216 4.134 4.350 0.000 0.000 0.196 1008 E C 1.672 178.290 176.600 0.030 0.000 0.993 1008 E CA 1.049 57.485 56.400 0.059 0.000 0.819 1008 E CB -0.138 29.618 29.700 0.093 0.000 0.745 1008 E HN 0.600 nan 8.360 nan 0.000 0.477 1009 D N -0.004 120.417 120.400 0.036 0.000 2.144 1009 D HA -0.146 4.494 4.640 0.000 0.000 0.200 1009 D C 1.677 177.974 176.300 -0.006 0.000 0.978 1009 D CA 1.073 55.071 54.000 -0.003 0.000 0.833 1009 D CB -0.212 40.579 40.800 -0.015 0.000 0.961 1009 D HN 0.278 nan 8.370 nan 0.000 0.470 1010 Y N 1.546 121.863 120.300 0.029 0.000 2.145 1010 Y HA -0.141 4.409 4.550 0.000 0.000 0.286 1010 Y C 2.716 178.536 175.900 -0.133 0.000 1.145 1010 Y CA 1.013 59.054 58.100 -0.099 0.000 1.148 1010 Y CB -0.556 37.839 38.460 -0.108 0.000 0.981 1010 Y HN -0.019 nan 8.280 nan 0.000 0.507 1011 Q N 0.050 119.820 119.800 -0.050 0.000 2.061 1011 Q HA -0.224 4.116 4.340 0.000 0.000 0.204 1011 Q C 1.730 177.749 176.000 0.032 0.000 0.984 1011 Q CA 1.739 57.506 55.803 -0.059 0.000 0.846 1011 Q CB -0.219 28.458 28.738 -0.101 0.000 0.902 1011 Q HN 0.469 nan 8.270 nan 0.000 0.421 1012 D N -0.451 119.978 120.400 0.048 0.000 2.149 1012 D HA -0.123 4.517 4.640 0.000 0.000 0.198 1012 D C 1.808 178.183 176.300 0.126 0.000 0.990 1012 D CA 1.453 55.504 54.000 0.084 0.000 0.839 1012 D CB -0.311 40.529 40.800 0.066 0.000 0.948 1012 D HN 0.201 nan 8.370 nan 0.000 0.460 1013 T N 0.323 114.950 114.554 0.121 0.000 2.857 1013 T HA -0.011 4.339 4.350 0.000 0.000 0.266 1013 T C 1.966 176.778 174.700 0.185 0.000 1.048 1013 T CA 1.158 63.350 62.100 0.153 0.000 1.139 1013 T CB -0.101 68.905 68.868 0.230 0.000 0.874 1013 T HN 0.187 nan 8.240 nan 0.000 0.455 1014 A N 1.583 124.482 122.820 0.131 0.000 1.929 1014 A HA -0.043 4.277 4.320 0.000 0.000 0.216 1014 A C 2.286 179.951 177.584 0.136 0.000 1.176 1014 A CA 1.061 53.178 52.037 0.134 0.000 0.628 1014 A CB -0.204 18.849 19.000 0.090 0.000 0.816 1014 A HN 0.153 nan 8.150 nan 0.000 0.444 1015 K N -1.083 119.395 120.400 0.130 0.000 2.025 1015 K HA -0.173 4.147 4.320 0.000 0.000 0.207 1015 K C 1.645 178.327 176.600 0.136 0.000 1.049 1015 K CA 1.306 57.660 56.287 0.112 0.000 0.933 1015 K CB -0.760 31.802 32.500 0.104 0.000 0.714 1015 K HN 0.756 nan 8.250 nan 0.000 0.438 1016 W N 1.726 123.015 121.300 -0.020 0.000 2.338 1016 W HA -0.176 4.484 4.660 0.000 0.000 0.304 1016 W C 1.727 178.157 176.519 -0.149 0.000 1.212 1016 W CA 1.399 58.700 57.345 -0.075 0.000 1.264 1016 W CB -0.179 29.195 29.460 -0.144 0.000 1.142 1016 W HN -0.027 nan 8.180 nan 0.000 0.512 1017 L N -0.193 121.144 121.223 0.191 0.000 2.044 1017 L HA -0.195 4.145 4.340 0.000 0.000 0.205 1017 L C 2.478 179.253 176.870 -0.157 0.000 1.075 1017 L CA 1.032 55.840 54.840 -0.052 0.000 0.747 1017 L CB -0.983 41.158 42.059 0.138 0.000 0.903 1017 L HN -0.012 nan 8.230 nan 0.000 0.435 1018 L N -0.327 120.869 121.223 -0.045 0.000 2.261 1018 L HA -0.168 4.172 4.340 0.000 0.000 0.216 1018 L C 2.092 178.911 176.870 -0.086 0.000 1.114 1018 L CA 1.287 56.092 54.840 -0.058 0.000 0.777 1018 L CB -0.461 41.600 42.059 0.004 0.000 0.910 1018 L HN 0.387 nan 8.230 nan 0.000 0.440 1019 S N -3.492 112.153 115.700 -0.092 0.000 2.575 1019 S HA 0.079 4.549 4.470 0.000 0.000 0.237 1019 S C 0.805 175.299 174.600 -0.177 0.000 0.975 1019 S CA -0.384 57.752 58.200 -0.107 0.000 0.960 1019 S CB -0.053 63.102 63.200 -0.075 0.000 0.822 1019 S HN 0.411 nan 8.310 nan 0.000 0.472 1020 H N -0.060 118.787 119.070 -0.372 0.000 3.622 1020 H HA 0.426 4.982 4.556 0.000 0.000 0.259 1020 H C 0.038 175.309 175.328 -0.094 0.000 1.145 1020 H CA 0.359 56.203 56.048 -0.340 0.000 1.178 1020 H CB 1.513 30.842 29.762 -0.721 0.000 1.542 1020 H HN 0.414 nan 8.280 nan 0.000 0.586 1021 T N -0.246 114.266 114.554 -0.070 0.000 2.900 1021 T HA 0.201 4.551 4.350 0.000 0.000 0.303 1021 T C -0.029 174.575 174.700 -0.160 0.000 1.142 1021 T CA -0.614 61.409 62.100 -0.129 0.000 1.007 1021 T CB 1.442 70.093 68.868 -0.362 0.000 1.156 1021 T HN 0.266 nan 8.240 nan 0.000 0.490 1022 E N 2.316 122.445 120.200 -0.119 0.000 2.473 1022 E HA 0.123 4.473 4.350 0.000 0.000 0.204 1022 E C 0.230 176.794 176.600 -0.060 0.000 0.994 1022 E CA 0.005 56.357 56.400 -0.080 0.000 0.945 1022 E CB -0.048 29.619 29.700 -0.056 0.000 0.990 1022 E HN 0.733 nan 8.360 nan 0.000 0.493 1023 Q N 1.351 121.108 119.800 -0.072 0.000 2.432 1023 Q HA 0.191 4.531 4.340 0.000 0.000 0.264 1023 Q C 0.000 176.023 176.000 0.039 0.000 1.035 1023 Q CA 0.392 56.202 55.803 0.011 0.000 0.908 1023 Q CB 0.587 29.381 28.738 0.093 0.000 1.280 1023 Q HN -0.014 nan 8.270 nan 0.000 0.455 1024 R N 2.193 122.747 120.500 0.089 0.000 2.644 1024 R HA 0.287 4.627 4.340 0.000 0.000 0.271 1024 R C -2.526 173.845 176.300 0.119 0.000 1.687 1024 R CA -1.664 54.498 56.100 0.104 0.000 1.655 1024 R CB 0.586 30.922 30.300 0.060 0.000 1.285 1024 R HN 0.567 nan 8.270 nan 0.000 0.643 1025 P HA 0.005 nan 4.420 nan 0.000 0.266 1025 P C -0.015 177.315 177.300 0.050 0.000 1.193 1025 P CA 0.046 63.202 63.100 0.094 0.000 0.770 1025 P CB 1.150 32.891 31.700 0.068 0.000 0.836 1026 Q N 0.708 120.519 119.800 0.019 0.000 2.280 1026 Q HA 0.228 4.568 4.340 0.000 0.000 0.228 1026 Q C 0.055 176.048 176.000 -0.011 0.000 0.857 1026 Q CA 0.124 55.936 55.803 0.015 0.000 0.939 1026 Q CB 0.478 29.230 28.738 0.022 0.000 1.114 1026 Q HN 0.363 nan 8.270 nan 0.000 0.514 1027 V N -0.109 119.777 119.914 -0.047 0.000 2.709 1027 V HA 0.914 5.034 4.120 0.000 0.000 0.308 1027 V C -1.732 174.242 176.094 -0.200 0.000 1.062 1027 V CA -0.759 61.490 62.300 -0.085 0.000 0.901 1027 V CB 1.717 33.515 31.823 -0.041 0.000 1.003 1027 V HN 0.058 nan 8.190 nan 0.000 0.425 1028 A N 5.277 127.930 122.820 -0.279 0.000 2.380 1028 A HA 0.958 5.278 4.320 0.000 0.000 0.315 1028 A C -1.281 176.097 177.584 -0.343 0.000 1.101 1028 A CA -0.623 51.116 52.037 -0.496 0.000 0.771 1028 A CB 2.131 20.563 19.000 -0.947 0.000 1.287 1028 A HN 1.327 nan 8.150 nan 0.000 0.436 1029 V N 2.175 121.894 119.914 -0.325 0.000 2.623 1029 V HA 0.368 4.488 4.120 0.000 0.000 0.304 1029 V C -0.766 175.244 176.094 -0.140 0.000 1.054 1029 V CA -0.115 62.059 62.300 -0.209 0.000 0.882 1029 V CB 1.671 33.393 31.823 -0.169 0.000 1.002 1029 V HN 0.747 nan 8.190 nan 0.000 0.424 1030 I N 3.656 124.167 120.570 -0.098 0.000 2.307 1030 I HA 0.299 4.469 4.170 0.000 0.000 0.287 1030 I C 0.029 176.114 176.117 -0.053 0.000 1.054 1030 I CA -0.151 61.116 61.300 -0.055 0.000 1.218 1030 I CB 0.879 38.847 38.000 -0.053 0.000 1.398 1030 I HN 0.570 nan 8.210 nan 0.000 0.475 1031 C N 5.539 124.818 119.300 -0.034 0.000 2.632 1031 C HA 0.386 4.846 4.460 0.000 0.000 0.415 1031 C C 1.461 176.453 174.990 0.003 0.000 1.332 1031 C CA -0.592 58.418 59.018 -0.013 0.000 1.874 1031 C CB -0.468 27.271 27.740 -0.003 0.000 2.596 1031 C HN 0.912 nan 8.230 nan 0.000 0.590 1032 G N 1.889 110.705 108.800 0.027 0.000 2.611 1032 G HA2 0.327 4.287 3.960 0.000 0.000 0.273 1032 G HA3 0.327 4.287 3.960 0.000 0.000 0.273 1032 G C 0.067 175.024 174.900 0.095 0.000 1.305 1032 G CA -0.279 44.860 45.100 0.064 0.000 1.010 1032 G HN 0.790 nan 8.290 nan 0.000 0.509 1033 S N -0.553 115.233 115.700 0.144 0.000 2.437 1033 S HA 0.444 4.914 4.470 0.000 0.000 0.304 1033 S C 1.292 175.968 174.600 0.127 0.000 1.167 1033 S CA 0.889 59.183 58.200 0.157 0.000 1.106 1033 S CB -0.525 62.793 63.200 0.196 0.000 1.099 1033 S HN 1.984 nan 8.310 nan 0.000 0.524 1034 G N 3.915 112.782 108.800 0.111 0.000 2.436 1034 G HA2 -0.203 3.757 3.960 0.000 0.000 0.204 1034 G HA3 -0.203 3.757 3.960 0.000 0.000 0.204 1034 G C 0.485 175.428 174.900 0.073 0.000 1.026 1034 G CA -0.027 45.128 45.100 0.092 0.000 0.658 1034 G HN 0.841 nan 8.290 nan 0.000 0.499 1035 L N 1.555 122.818 121.223 0.067 0.000 2.688 1035 L HA 0.544 4.884 4.340 0.000 0.000 0.234 1035 L C 2.060 178.953 176.870 0.038 0.000 1.192 1035 L CA 0.471 55.341 54.840 0.050 0.000 0.984 1035 L CB -0.258 41.830 42.059 0.049 0.000 1.232 1035 L HN 0.226 nan 8.230 nan 0.000 0.465 1036 G N 0.458 109.285 108.800 0.045 0.000 2.744 1036 G HA2 -0.037 3.923 3.960 0.000 0.000 0.211 1036 G HA3 -0.037 3.923 3.960 0.000 0.000 0.211 1036 G C 1.398 176.312 174.900 0.024 0.000 1.143 1036 G CA 0.493 45.612 45.100 0.033 0.000 0.788 1036 G HN 0.518 nan 8.290 nan 0.000 0.534 1037 G N 0.468 109.284 108.800 0.027 0.000 2.598 1037 G HA2 -0.078 3.882 3.960 0.000 0.000 0.215 1037 G HA3 -0.078 3.882 3.960 0.000 0.000 0.215 1037 G C 1.500 176.406 174.900 0.011 0.000 1.131 1037 G CA -0.017 45.095 45.100 0.020 0.000 0.785 1037 G HN 0.422 nan 8.290 nan 0.000 0.539 1038 L N 0.340 121.567 121.223 0.007 0.000 2.353 1038 L HA -0.056 4.284 4.340 0.000 0.000 0.220 1038 L C 2.753 179.617 176.870 -0.009 0.000 1.133 1038 L CA 0.372 55.211 54.840 -0.002 0.000 0.798 1038 L CB -0.070 41.984 42.059 -0.008 0.000 0.922 1038 L HN 0.141 nan 8.230 nan 0.000 0.445 1039 V N -0.013 119.895 119.914 -0.010 0.000 2.261 1039 V HA -0.220 3.900 4.120 0.000 0.000 0.246 1039 V C 1.085 177.173 176.094 -0.010 0.000 1.047 1039 V CA 1.125 63.416 62.300 -0.015 0.000 1.015 1039 V CB -0.420 31.393 31.823 -0.017 0.000 0.642 1039 V HN 0.539 nan 8.190 nan 0.000 0.446 1040 N N 0.736 119.434 118.700 -0.004 0.000 2.416 1040 N HA 0.083 4.823 4.740 0.000 0.000 0.246 1040 N C 0.610 176.119 175.510 -0.002 0.000 1.260 1040 N CA 0.328 53.377 53.050 -0.003 0.000 0.897 1040 N CB 0.156 38.643 38.487 0.001 0.000 1.110 1040 N HN 0.353 nan 8.380 nan 0.000 0.439 1041 K N -1.280 119.119 120.400 -0.002 0.000 3.399 1041 K HA -0.182 4.138 4.320 0.000 0.000 0.298 1041 K C -1.461 175.138 176.600 -0.002 0.000 1.326 1041 K CA 0.207 56.494 56.287 -0.001 0.000 0.874 1041 K CB -1.030 31.470 32.500 0.001 0.000 1.403 1041 K HN 0.455 nan 8.250 nan 0.000 0.492 1042 L N 1.370 122.591 121.223 -0.003 0.000 2.381 1042 L HA 0.502 4.842 4.340 0.000 0.000 0.274 1042 L C -0.178 176.693 176.870 0.002 0.000 0.988 1042 L CA 0.064 54.902 54.840 -0.002 0.000 0.824 1042 L CB 1.708 43.762 42.059 -0.008 0.000 1.263 1042 L HN 0.213 nan 8.230 nan 0.000 0.410 1043 T N 0.998 115.555 114.554 0.005 0.000 2.922 1043 T HA 0.410 4.760 4.350 0.000 0.000 0.285 1043 T C 0.162 174.869 174.700 0.012 0.000 1.005 1043 T CA -0.376 61.728 62.100 0.006 0.000 1.061 1043 T CB 1.234 70.106 68.868 0.006 0.000 1.007 1043 T HN 0.678 nan 8.240 nan 0.000 0.502 1044 Q N -0.383 119.421 119.800 0.007 0.000 2.478 1044 Q HA -0.167 4.173 4.340 0.000 0.000 0.286 1044 Q C 0.098 176.107 176.000 0.014 0.000 1.299 1044 Q CA 0.263 56.070 55.803 0.007 0.000 0.826 1044 Q CB -1.694 27.052 28.738 0.013 0.000 1.199 1044 Q HN 1.120 nan 8.270 nan 0.000 0.451 1045 A N 1.051 123.874 122.820 0.005 0.000 2.462 1045 A HA 0.344 4.664 4.320 0.000 0.000 0.243 1045 A C 0.135 177.708 177.584 -0.019 0.000 1.076 1045 A CA 0.438 52.478 52.037 0.005 0.000 0.773 1045 A CB 0.703 19.699 19.000 -0.007 0.000 1.010 1045 A HN 0.391 nan 8.150 nan 0.000 0.493 1046 Q N 0.734 120.525 119.800 -0.015 0.000 2.269 1046 Q HA 0.426 4.766 4.340 0.000 0.000 0.263 1046 Q C -1.071 174.827 176.000 -0.171 0.000 0.983 1046 Q CA -0.263 55.470 55.803 -0.117 0.000 0.777 1046 Q CB 2.041 30.718 28.738 -0.101 0.000 1.273 1046 Q HN 0.818 nan 8.270 nan 0.000 0.440 1047 T N 2.455 116.845 114.554 -0.275 0.000 2.888 1047 T HA 0.756 5.106 4.350 0.000 0.000 0.284 1047 T C -1.370 173.083 174.700 -0.413 0.000 1.017 1047 T CA -0.217 61.744 62.100 -0.232 0.000 1.022 1047 T CB 0.441 69.246 68.868 -0.105 0.000 1.013 1047 T HN 0.350 nan 8.240 nan 0.000 0.465 1048 F N 2.502 122.514 119.950 0.103 0.000 2.539 1048 F HA 0.373 4.900 4.527 0.000 0.000 0.318 1048 F C 0.198 175.996 175.800 -0.003 0.000 1.135 1048 F CA -1.211 56.857 58.000 0.113 0.000 0.915 1048 F CB 1.550 40.678 39.000 0.213 0.000 1.176 1048 F HN 0.434 nan 8.300 nan 0.000 0.440 1049 D N 2.551 123.051 120.400 0.168 0.000 2.390 1049 D HA -0.011 4.629 4.640 0.000 0.000 0.249 1049 D C 0.948 177.290 176.300 0.070 0.000 1.144 1049 D CA 0.208 54.228 54.000 0.032 0.000 0.880 1049 D CB 0.734 41.567 40.800 0.054 0.000 1.182 1049 D HN 0.426 nan 8.370 nan 0.000 0.451 1050 Y N 1.458 121.784 120.300 0.042 0.000 2.139 1050 Y HA -0.296 4.254 4.550 0.000 0.000 0.282 1050 Y C 2.678 178.597 175.900 0.031 0.000 1.179 1050 Y CA 1.266 59.372 58.100 0.010 0.000 1.161 1050 Y CB -1.251 37.403 38.460 0.324 0.000 0.970 1050 Y HN 0.427 nan 8.280 nan 0.000 0.511 1051 S N 0.359 116.195 115.700 0.227 0.000 2.407 1051 S HA -0.298 4.172 4.470 0.000 0.000 0.235 1051 S C 1.634 176.260 174.600 0.044 0.000 1.036 1051 S CA 1.702 59.980 58.200 0.130 0.000 1.013 1051 S CB -0.666 62.598 63.200 0.107 0.000 0.820 1051 S HN 0.803 nan 8.310 nan 0.000 0.476 1052 E N 0.645 120.855 120.200 0.017 0.000 2.400 1052 E HA 0.199 4.549 4.350 0.000 0.000 0.195 1052 E C 0.386 176.782 176.600 -0.340 0.000 1.012 1052 E CA -0.255 56.112 56.400 -0.056 0.000 0.875 1052 E CB -0.236 29.516 29.700 0.086 0.000 0.859 1052 E HN 0.590 nan 8.360 nan 0.000 0.498 1053 I N 3.358 123.683 120.570 -0.408 0.000 2.556 1053 I HA 0.150 4.320 4.170 0.000 0.000 0.284 1053 I C -2.119 173.685 176.117 -0.522 0.000 1.114 1053 I CA -2.253 58.560 61.300 -0.811 0.000 1.418 1053 I CB 0.361 37.973 38.000 -0.646 0.000 1.394 1053 I HN -0.120 nan 8.210 nan 0.000 0.552 1054 P HA 0.062 nan 4.420 nan 0.000 0.268 1054 P C -0.116 177.119 177.300 -0.109 0.000 1.205 1054 P CA 0.200 63.091 63.100 -0.348 0.000 0.771 1054 P CB 0.298 31.775 31.700 -0.371 0.000 0.858 1055 N N -0.998 117.636 118.700 -0.110 0.000 2.900 1055 N HA -0.222 4.518 4.740 0.000 0.000 0.240 1055 N C -0.256 175.024 175.510 -0.384 0.000 0.953 1055 N CA 0.939 53.861 53.050 -0.214 0.000 0.950 1055 N CB -1.887 36.421 38.487 -0.298 0.000 1.102 1055 N HN 0.354 nan 8.380 nan 0.000 0.593 1056 F N 2.020 121.823 119.950 -0.245 0.000 2.443 1056 F HA 0.296 4.823 4.527 0.000 0.000 0.353 1056 F C -1.461 174.176 175.800 -0.271 0.000 1.101 1056 F CA -1.529 56.369 58.000 -0.169 0.000 1.226 1056 F CB 0.534 39.534 39.000 -0.000 0.000 1.140 1056 F HN -0.169 nan 8.300 nan 0.000 0.557 1057 P HA 0.090 nan 4.420 nan 0.000 0.272 1057 P C -1.356 175.716 177.300 -0.379 0.000 1.223 1057 P CA -0.069 62.609 63.100 -0.703 0.000 0.784 1057 P CB 0.505 31.213 31.700 -1.654 0.000 0.923 1058 E N 0.708 120.826 120.200 -0.137 0.000 2.171 1058 E HA 0.294 4.644 4.350 0.000 0.000 0.271 1058 E C -0.292 176.478 176.600 0.282 0.000 0.916 1058 E CA -0.653 55.843 56.400 0.160 0.000 0.774 1058 E CB 1.196 30.973 29.700 0.128 0.000 1.128 1058 E HN 0.369 nan 8.360 nan 0.000 0.403 1059 S N 1.085 117.066 115.700 0.467 0.000 2.549 1059 S HA -0.090 4.380 4.470 0.000 0.000 0.278 1059 S C 1.439 176.234 174.600 0.325 0.000 1.344 1059 S CA 0.382 58.871 58.200 0.481 0.000 1.025 1059 S CB 0.531 63.954 63.200 0.372 0.000 0.851 1059 S HN 0.782 nan 8.310 nan 0.000 0.530 1060 T N -1.820 112.915 114.554 0.303 0.000 2.925 1060 T HA 0.043 4.393 4.350 0.000 0.000 0.245 1060 T C 0.724 175.513 174.700 0.148 0.000 1.025 1060 T CA 0.121 62.311 62.100 0.150 0.000 1.149 1060 T CB -0.616 68.293 68.868 0.069 0.000 0.866 1060 T HN 0.332 nan 8.240 nan 0.000 0.437 1061 V N 5.082 125.114 119.914 0.197 0.000 2.479 1061 V HA 0.134 4.254 4.120 0.000 0.000 0.284 1061 V C -2.150 174.054 176.094 0.183 0.000 0.981 1061 V CA -1.187 61.233 62.300 0.199 0.000 1.139 1061 V CB -0.869 31.140 31.823 0.311 0.000 0.947 1061 V HN 0.394 nan 8.190 nan 0.000 0.468 1062 P HA 0.134 nan 4.420 nan 0.000 0.266 1062 P C 0.951 178.323 177.300 0.120 0.000 1.193 1062 P CA 1.197 64.360 63.100 0.105 0.000 0.770 1062 P CB 0.424 32.164 31.700 0.068 0.000 0.836 1063 G N 1.263 110.131 108.800 0.113 0.000 2.323 1063 G HA2 -0.292 3.668 3.960 0.000 0.000 0.292 1063 G HA3 -0.292 3.668 3.960 0.000 0.000 0.292 1063 G C 0.350 175.356 174.900 0.177 0.000 1.040 1063 G CA 0.636 45.801 45.100 0.109 0.000 0.942 1063 G HN 0.900 nan 8.290 nan 0.000 0.506 1064 H N -1.802 117.310 119.070 0.070 0.000 3.359 1064 H HA 0.461 5.017 4.556 0.000 0.000 0.258 1064 H C 1.219 176.603 175.328 0.094 0.000 1.164 1064 H CA 0.039 56.132 56.048 0.076 0.000 1.008 1064 H CB -0.060 29.757 29.762 0.091 0.000 2.548 1064 H HN 0.808 nan 8.280 nan 0.000 0.733 1065 A N 1.067 123.971 122.820 0.141 0.000 2.540 1065 A HA 0.377 4.697 4.320 0.000 0.000 0.239 1065 A C 1.129 178.686 177.584 -0.046 0.000 1.061 1065 A CA 0.769 52.863 52.037 0.096 0.000 0.758 1065 A CB 0.097 19.159 19.000 0.103 0.000 0.991 1065 A HN 0.510 nan 8.150 nan 0.000 0.502 1066 G N 1.207 109.937 108.800 -0.117 0.000 2.563 1066 G HA2 0.585 4.545 3.960 0.000 0.000 0.283 1066 G HA3 0.585 4.545 3.960 0.000 0.000 0.283 1066 G C 0.004 174.230 174.900 -1.123 0.000 1.309 1066 G CA -0.466 44.305 45.100 -0.548 0.000 1.022 1066 G HN 1.164 nan 8.290 nan 0.000 0.501 1067 R N -1.625 118.178 120.500 -1.162 0.000 2.680 1067 R HA 0.514 4.854 4.340 0.000 0.000 0.269 1067 R C -2.100 174.006 176.300 -0.324 0.000 1.026 1067 R CA -1.037 54.635 56.100 -0.714 0.000 0.889 1067 R CB 1.348 31.488 30.300 -0.265 0.000 1.241 1067 R HN 0.394 nan 8.270 nan 0.000 0.463 1068 L N 2.008 123.244 121.223 0.022 0.000 2.255 1068 L HA 0.375 4.715 4.340 0.000 0.000 0.289 1068 L C -1.049 175.919 176.870 0.164 0.000 1.046 1068 L CA -0.544 54.414 54.840 0.197 0.000 0.816 1068 L CB 1.750 43.972 42.059 0.272 0.000 1.197 1068 L HN 0.521 nan 8.230 nan 0.000 0.427 1069 V N 6.142 126.068 119.914 0.020 0.000 2.347 1069 V HA 0.367 4.487 4.120 0.000 0.000 0.280 1069 V C -0.212 175.857 176.094 -0.042 0.000 1.021 1069 V CA -0.452 61.862 62.300 0.024 0.000 0.847 1069 V CB 0.930 32.744 31.823 -0.014 0.000 0.990 1069 V HN 0.429 nan 8.190 nan 0.000 0.444 1070 F N 3.225 123.213 119.950 0.065 0.000 2.408 1070 F HA 0.822 5.349 4.527 0.000 0.000 0.344 1070 F C 0.891 176.698 175.800 0.013 0.000 1.112 1070 F CA 0.357 58.393 58.000 0.061 0.000 1.096 1070 F CB 1.893 40.969 39.000 0.127 0.000 1.129 1070 F HN 0.682 nan 8.300 nan 0.000 0.486 1071 G N 2.977 111.867 108.800 0.151 0.000 2.342 1071 G HA2 0.399 4.359 3.960 0.000 0.000 0.297 1071 G HA3 0.399 4.359 3.960 0.000 0.000 0.297 1071 G C -2.062 172.868 174.900 0.049 0.000 1.313 1071 G CA -0.945 44.206 45.100 0.085 0.000 0.830 1071 G HN 0.284 nan 8.290 nan 0.000 0.506 1072 I N 1.592 122.181 120.570 0.032 0.000 2.359 1072 I HA 0.406 4.576 4.170 0.000 0.000 0.294 1072 I C 0.973 177.095 176.117 0.009 0.000 0.987 1072 I CA -0.353 60.960 61.300 0.020 0.000 1.225 1072 I CB 1.238 39.250 38.000 0.020 0.000 1.366 1072 I HN 0.534 nan 8.210 nan 0.000 0.466 1073 L N 4.763 125.988 121.223 0.003 0.000 2.208 1073 L HA 0.131 4.471 4.340 0.000 0.000 0.196 1073 L C 0.677 177.550 176.870 0.005 0.000 1.130 1073 L CA 0.861 55.700 54.840 -0.001 0.000 0.791 1073 L CB 0.238 42.292 42.059 -0.008 0.000 0.969 1073 L HN 0.683 nan 8.230 nan 0.000 0.468 1074 N N -0.498 118.207 118.700 0.008 0.000 2.703 1074 N HA 0.261 5.001 4.740 0.000 0.000 0.283 1074 N C -0.014 175.504 175.510 0.013 0.000 1.851 1074 N CA 0.611 53.668 53.050 0.011 0.000 0.826 1074 N CB 0.794 39.290 38.487 0.015 0.000 1.239 1074 N HN 0.454 nan 8.380 nan 0.000 0.495 1075 G N 1.148 109.955 108.800 0.012 0.000 2.159 1075 G HA2 -0.268 3.692 3.960 0.000 0.000 0.256 1075 G HA3 -0.268 3.692 3.960 0.000 0.000 0.256 1075 G C 0.057 174.966 174.900 0.015 0.000 0.977 1075 G CA 0.159 45.267 45.100 0.013 0.000 0.652 1075 G HN 0.576 nan 8.290 nan 0.000 0.531 1076 R N 0.313 120.822 120.500 0.015 0.000 2.621 1076 R HA 0.759 5.099 4.340 0.000 0.000 0.292 1076 R C 0.093 176.402 176.300 0.015 0.000 0.969 1076 R CA 0.053 56.162 56.100 0.016 0.000 0.887 1076 R CB 1.327 31.637 30.300 0.016 0.000 1.180 1076 R HN 0.829 nan 8.270 nan 0.000 0.450 1077 A N 3.539 126.372 122.820 0.022 0.000 2.350 1077 A HA 0.437 4.757 4.320 0.000 0.000 0.293 1077 A C -0.072 177.522 177.584 0.016 0.000 1.231 1077 A CA -0.284 51.775 52.037 0.036 0.000 0.883 1077 A CB -0.920 18.113 19.000 0.054 0.000 1.133 1077 A HN 0.890 nan 8.150 nan 0.000 0.533 1078 C N 0.876 120.173 119.300 -0.005 0.000 3.108 1078 C HA 0.886 5.346 4.460 0.000 0.000 0.321 1078 C C -0.254 174.633 174.990 -0.170 0.000 1.357 1078 C CA -0.866 58.100 59.018 -0.086 0.000 1.562 1078 C CB 1.022 28.697 27.740 -0.110 0.000 2.003 1078 C HN 1.003 nan 8.230 nan 0.000 0.460 1079 V N 1.954 121.649 119.914 -0.365 0.000 2.531 1079 V HA 0.730 4.851 4.120 0.000 0.000 0.301 1079 V C -0.788 174.995 176.094 -0.517 0.000 1.034 1079 V CA -0.380 61.537 62.300 -0.638 0.000 0.865 1079 V CB 1.625 32.871 31.823 -0.961 0.000 0.995 1079 V HN 1.000 nan 8.190 nan 0.000 0.424 1080 M N 6.787 126.179 119.600 -0.347 0.000 2.464 1080 M HA 0.575 5.055 4.480 0.000 0.000 0.308 1080 M C -0.792 175.471 176.300 -0.061 0.000 1.127 1080 M CA -0.483 54.696 55.300 -0.202 0.000 0.913 1080 M CB 2.536 35.059 32.600 -0.129 0.000 1.689 1080 M HN 0.466 nan 8.290 nan 0.000 0.445 1081 M N 2.332 121.946 119.600 0.024 0.000 2.113 1081 M HA 0.261 4.741 4.480 0.000 0.000 0.352 1081 M C -0.472 175.880 176.300 0.086 0.000 1.170 1081 M CA -0.097 55.304 55.300 0.168 0.000 1.053 1081 M CB 1.132 33.835 32.600 0.172 0.000 1.601 1081 M HN 0.563 nan 8.290 nan 0.000 0.459 1082 Q N 3.195 123.045 119.800 0.084 0.000 2.462 1082 Q HA 0.549 4.889 4.340 0.000 0.000 0.247 1082 Q C -0.566 175.428 176.000 -0.010 0.000 1.044 1082 Q CA -0.266 55.536 55.803 -0.002 0.000 0.803 1082 Q CB 1.101 29.808 28.738 -0.051 0.000 1.190 1082 Q HN 0.950 nan 8.270 nan 0.000 0.507 1083 G N 2.936 111.735 108.800 -0.002 0.000 2.906 1083 G HA2 -0.108 3.852 3.960 0.000 0.000 0.686 1083 G HA3 -0.108 3.852 3.960 0.000 0.000 0.686 1083 G C -1.087 173.738 174.900 -0.126 0.000 1.170 1083 G CA -0.396 44.684 45.100 -0.034 0.000 0.775 1083 G HN 0.799 nan 8.290 nan 0.000 0.630 1084 R N -0.236 120.088 120.500 -0.293 0.000 2.947 1084 R HA 0.929 5.269 4.340 0.000 0.000 0.253 1084 R C -1.204 174.614 176.300 -0.802 0.000 1.208 1084 R CA -1.188 54.477 56.100 -0.724 0.000 1.012 1084 R CB 0.986 30.983 30.300 -0.505 0.000 1.267 1084 R HN 0.586 nan 8.270 nan 0.000 0.473 1085 F N 0.228 119.887 119.950 -0.485 0.000 2.495 1085 F HA 0.529 5.056 4.527 0.000 0.000 0.327 1085 F C 0.107 175.579 175.800 -0.546 0.000 1.103 1085 F CA -0.710 56.936 58.000 -0.589 0.000 0.949 1085 F CB 1.626 39.993 39.000 -1.055 0.000 1.142 1085 F HN 0.292 nan 8.300 nan 0.000 0.457 1086 H N 3.140 122.231 119.070 0.035 0.000 2.679 1086 H HA 0.291 4.847 4.556 0.000 0.000 0.367 1086 H C 0.939 176.190 175.328 -0.129 0.000 1.162 1086 H CA -0.752 55.219 56.048 -0.129 0.000 1.181 1086 H CB 2.610 32.015 29.762 -0.594 0.000 1.693 1086 H HN 0.800 nan 8.280 nan 0.000 0.538 1087 M N 2.133 121.755 119.600 0.036 0.000 2.080 1087 M HA -0.237 4.243 4.480 0.000 0.000 0.260 1087 M C 1.755 177.994 176.300 -0.101 0.000 1.068 1087 M CA 1.953 57.185 55.300 -0.112 0.000 1.109 1087 M CB -0.336 32.172 32.600 -0.154 0.000 1.342 1087 M HN 0.696 nan 8.290 nan 0.000 0.405 1088 Y N -0.037 120.325 120.300 0.104 0.000 2.483 1088 Y HA -0.039 4.511 4.550 0.000 0.000 0.291 1088 Y C 1.335 177.247 175.900 0.020 0.000 1.143 1088 Y CA 1.264 59.391 58.100 0.046 0.000 1.289 1088 Y CB -1.388 37.102 38.460 0.050 0.000 0.983 1088 Y HN 0.417 nan 8.280 nan 0.000 0.556 1089 E N 0.204 120.207 120.200 -0.329 0.000 2.481 1089 E HA 0.188 4.538 4.350 0.000 0.000 0.195 1089 E C 1.626 178.026 176.600 -0.333 0.000 1.047 1089 E CA 0.493 56.763 56.400 -0.216 0.000 0.867 1089 E CB -0.059 29.533 29.700 -0.180 0.000 0.858 1089 E HN 0.741 nan 8.360 nan 0.000 0.513 1090 G N 0.509 109.142 108.800 -0.279 0.000 2.184 1090 G HA2 -0.246 3.714 3.960 0.000 0.000 0.206 1090 G HA3 -0.246 3.714 3.960 0.000 0.000 0.206 1090 G C -0.254 174.432 174.900 -0.358 0.000 0.995 1090 G CA -0.422 44.496 45.100 -0.304 0.000 0.651 1090 G HN 0.191 nan 8.290 nan 0.000 0.511 1091 Y N 2.500 122.635 120.300 -0.275 0.000 2.359 1091 Y HA 0.475 5.025 4.550 0.000 0.000 0.330 1091 Y C -1.216 174.406 175.900 -0.464 0.000 1.143 1091 Y CA -1.818 56.051 58.100 -0.385 0.000 1.318 1091 Y CB 0.553 38.794 38.460 -0.366 0.000 1.234 1091 Y HN 0.035 nan 8.280 nan 0.000 0.522 1092 P HA 0.067 nan 4.420 nan 0.000 0.276 1092 P C 0.174 177.222 177.300 -0.420 0.000 1.261 1092 P CA -0.234 62.567 63.100 -0.498 0.000 0.800 1092 P CB 0.812 32.142 31.700 -0.616 0.000 1.066 1093 F N -0.182 119.700 119.950 -0.114 0.000 2.234 1093 F HA -0.092 4.435 4.527 0.000 0.000 0.299 1093 F C 2.358 178.165 175.800 0.011 0.000 1.087 1093 F CA 0.867 58.841 58.000 -0.043 0.000 1.340 1093 F CB -1.238 37.779 39.000 0.028 0.000 1.031 1093 F HN 0.479 nan 8.300 nan 0.000 0.500 1094 W N 0.586 121.996 121.300 0.183 0.000 2.421 1094 W HA -0.077 4.583 4.660 0.000 0.000 0.270 1094 W C 1.366 178.003 176.519 0.197 0.000 1.233 1094 W CA 0.773 58.222 57.345 0.174 0.000 1.226 1094 W CB -1.100 28.439 29.460 0.132 0.000 1.121 1094 W HN 0.096 nan 8.180 nan 0.000 0.579 1095 K N 0.844 121.035 120.400 -0.347 0.000 2.099 1095 K HA -0.020 4.300 4.320 0.000 0.000 0.203 1095 K C 2.243 178.689 176.600 -0.256 0.000 1.047 1095 K CA 0.946 57.009 56.287 -0.374 0.000 0.963 1095 K CB -0.414 31.621 32.500 -0.775 0.000 0.759 1095 K HN -0.083 nan 8.250 nan 0.000 0.451 1096 V N 1.989 121.780 119.914 -0.204 0.000 2.278 1096 V HA -0.271 3.849 4.120 0.000 0.000 0.251 1096 V C 2.322 178.417 176.094 0.002 0.000 1.062 1096 V CA 2.523 64.782 62.300 -0.069 0.000 1.038 1096 V CB -0.879 30.994 31.823 0.083 0.000 0.646 1096 V HN 0.558 nan 8.190 nan 0.000 0.447 1097 T N -3.118 111.451 114.554 0.025 0.000 3.219 1097 T HA 0.013 4.363 4.350 0.000 0.000 0.249 1097 T C 1.432 176.091 174.700 -0.067 0.000 1.099 1097 T CA 0.179 62.256 62.100 -0.037 0.000 0.988 1097 T CB -0.460 68.390 68.868 -0.029 0.000 0.999 1097 T HN 0.352 nan 8.240 nan 0.000 0.550 1098 F N 3.614 123.442 119.950 -0.204 0.000 2.095 1098 F HA 0.090 4.617 4.527 0.000 0.000 0.298 1098 F C -1.078 174.433 175.800 -0.481 0.000 1.104 1098 F CA 0.640 58.462 58.000 -0.297 0.000 1.232 1098 F CB -1.168 37.521 39.000 -0.518 0.000 0.987 1098 F HN 0.183 nan 8.300 nan 0.000 0.475 1099 P HA -0.190 nan 4.420 nan 0.000 0.216 1099 P C 2.079 178.591 177.300 -1.313 0.000 1.150 1099 P CA 2.005 64.478 63.100 -1.045 0.000 0.843 1099 P CB -0.127 31.132 31.700 -0.734 0.000 0.787 1100 V N -0.219 119.217 119.914 -0.797 0.000 2.343 1100 V HA -0.244 3.876 4.120 0.000 0.000 0.247 1100 V C 2.363 178.151 176.094 -0.510 0.000 1.051 1100 V CA 1.844 63.812 62.300 -0.554 0.000 1.036 1100 V CB -1.014 30.646 31.823 -0.272 0.000 0.654 1100 V HN 0.097 nan 8.190 nan 0.000 0.451 1101 R N -0.696 119.438 120.500 -0.610 0.000 2.189 1101 R HA -0.028 4.312 4.340 0.000 0.000 0.218 1101 R C 2.165 178.187 176.300 -0.464 0.000 1.074 1101 R CA 0.740 56.417 56.100 -0.705 0.000 0.991 1101 R CB -0.271 29.247 30.300 -1.303 0.000 0.883 1101 R HN 0.396 nan 8.270 nan 0.000 0.457 1102 V N 0.520 120.097 119.914 -0.561 0.000 2.323 1102 V HA -0.217 3.903 4.120 0.000 0.000 0.244 1102 V C 1.860 177.907 176.094 -0.079 0.000 1.041 1102 V CA 1.604 63.690 62.300 -0.356 0.000 1.025 1102 V CB -0.455 31.062 31.823 -0.509 0.000 0.656 1102 V HN 0.117 nan 8.190 nan 0.000 0.451 1103 F N 0.934 120.832 119.950 -0.087 0.000 2.091 1103 F HA -0.218 4.309 4.527 0.000 0.000 0.299 1103 F C 2.581 178.372 175.800 -0.015 0.000 1.103 1103 F CA 1.977 59.958 58.000 -0.031 0.000 1.228 1103 F CB -1.269 37.692 39.000 -0.065 0.000 0.984 1103 F HN 0.109 nan 8.300 nan 0.000 0.477 1104 R N 0.883 121.465 120.500 0.137 0.000 2.103 1104 R HA -0.161 4.179 4.340 0.000 0.000 0.242 1104 R C 1.949 178.320 176.300 0.117 0.000 1.142 1104 R CA 1.534 57.693 56.100 0.097 0.000 0.960 1104 R CB -0.934 29.391 30.300 0.043 0.000 0.858 1104 R HN 0.390 nan 8.270 nan 0.000 0.439 1105 L N 0.107 121.399 121.223 0.114 0.000 2.478 1105 L HA 0.007 4.347 4.340 0.000 0.000 0.223 1105 L C 1.623 178.561 176.870 0.112 0.000 1.140 1105 L CA 0.372 55.277 54.840 0.109 0.000 0.842 1105 L CB -0.107 42.002 42.059 0.082 0.000 0.953 1105 L HN 0.256 nan 8.230 nan 0.000 0.452 1106 L N -0.762 120.550 121.223 0.149 0.000 2.558 1106 L HA 0.142 4.482 4.340 0.000 0.000 0.225 1106 L C 1.520 178.475 176.870 0.141 0.000 1.128 1106 L CA 0.721 55.666 54.840 0.174 0.000 0.868 1106 L CB -0.115 42.110 42.059 0.277 0.000 1.006 1106 L HN 0.475 nan 8.230 nan 0.000 0.454 1107 G N -0.481 108.388 108.800 0.116 0.000 2.201 1107 G HA2 -0.237 3.723 3.960 0.000 0.000 0.212 1107 G HA3 -0.237 3.723 3.960 0.000 0.000 0.212 1107 G C 0.334 175.279 174.900 0.075 0.000 0.994 1107 G CA -0.063 45.089 45.100 0.087 0.000 0.644 1107 G HN 0.034 nan 8.290 nan 0.000 0.508 1108 V N 0.857 120.822 119.914 0.086 0.000 2.901 1108 V HA 0.260 4.380 4.120 0.000 0.000 0.307 1108 V C 1.304 177.423 176.094 0.042 0.000 1.084 1108 V CA 1.666 63.994 62.300 0.047 0.000 1.184 1108 V CB 1.274 33.116 31.823 0.032 0.000 0.941 1108 V HN 0.520 nan 8.190 nan 0.000 0.493 1109 E N 0.711 120.924 120.200 0.023 0.000 2.571 1109 E HA 0.162 4.512 4.350 0.000 0.000 0.222 1109 E C -0.152 176.458 176.600 0.017 0.000 0.904 1109 E CA 0.108 56.521 56.400 0.022 0.000 1.157 1109 E CB 1.158 30.872 29.700 0.024 0.000 1.158 1109 E HN 0.742 nan 8.360 nan 0.000 0.540 1110 T N 1.414 115.972 114.554 0.007 0.000 2.921 1110 T HA 0.432 4.782 4.350 0.000 0.000 0.297 1110 T C -1.427 173.241 174.700 -0.052 0.000 1.013 1110 T CA -0.581 61.526 62.100 0.011 0.000 0.990 1110 T CB 1.944 70.854 68.868 0.071 0.000 1.023 1110 T HN -0.066 nan 8.240 nan 0.000 0.447 1111 L N 4.382 125.554 121.223 -0.085 0.000 2.313 1111 L HA 0.788 5.128 4.340 0.000 0.000 0.283 1111 L C -1.173 175.508 176.870 -0.315 0.000 1.013 1111 L CA -0.541 54.207 54.840 -0.154 0.000 0.816 1111 L CB 1.424 43.431 42.059 -0.088 0.000 1.236 1111 L HN 0.454 nan 8.230 nan 0.000 0.419 1112 V N 6.066 125.747 119.914 -0.389 0.000 2.334 1112 V HA 0.484 4.604 4.120 0.000 0.000 0.281 1112 V C -0.243 175.644 176.094 -0.346 0.000 1.016 1112 V CA -0.608 61.324 62.300 -0.614 0.000 0.832 1112 V CB 1.522 32.968 31.823 -0.627 0.000 0.999 1112 V HN 0.647 nan 8.190 nan 0.000 0.439 1113 V N 2.620 122.349 119.914 -0.308 0.000 2.483 1113 V HA 0.996 5.116 4.120 0.000 0.000 0.295 1113 V C 0.042 176.061 176.094 -0.124 0.000 1.035 1113 V CA -0.160 62.034 62.300 -0.176 0.000 0.896 1113 V CB 1.518 33.255 31.823 -0.144 0.000 0.986 1113 V HN 0.921 nan 8.190 nan 0.000 0.447 1114 T N 1.429 115.945 114.554 -0.063 0.000 2.896 1114 T HA 0.730 5.080 4.350 0.000 0.000 0.297 1114 T C -0.847 173.851 174.700 -0.002 0.000 1.108 1114 T CA -0.566 61.540 62.100 0.011 0.000 1.004 1114 T CB 2.113 71.021 68.868 0.067 0.000 1.159 1114 T HN 1.339 nan 8.240 nan 0.000 0.499 1115 N N -0.393 118.326 118.700 0.032 0.000 3.127 1115 N HA 0.489 5.229 4.740 0.000 0.000 0.239 1115 N C -1.635 173.940 175.510 0.110 0.000 1.407 1115 N CA -1.252 51.838 53.050 0.067 0.000 0.891 1115 N CB 1.614 40.124 38.487 0.039 0.000 1.447 1115 N HN 0.978 nan 8.380 nan 0.000 0.507 1116 A N 0.122 123.027 122.820 0.141 0.000 2.274 1116 A HA 0.831 5.151 4.320 0.000 0.000 0.309 1116 A C -0.298 177.384 177.584 0.164 0.000 1.226 1116 A CA -0.160 51.961 52.037 0.140 0.000 0.853 1116 A CB 0.678 19.759 19.000 0.135 0.000 1.146 1116 A HN 0.948 nan 8.150 nan 0.000 0.518 1117 A N 1.603 124.515 122.820 0.154 0.000 2.437 1117 A HA 0.916 5.236 4.320 0.000 0.000 0.288 1117 A C 0.227 177.847 177.584 0.061 0.000 1.201 1117 A CA -0.252 51.871 52.037 0.144 0.000 0.795 1117 A CB 1.080 20.231 19.000 0.252 0.000 1.359 1117 A HN 1.733 nan 8.150 nan 0.000 0.435 1118 G N -0.540 108.250 108.800 -0.016 0.000 2.368 1118 G HA2 0.522 4.482 3.960 0.000 0.000 0.320 1118 G HA3 0.522 4.482 3.960 0.000 0.000 0.320 1118 G C 0.180 175.087 174.900 0.012 0.000 1.158 1118 G CA 0.132 45.199 45.100 -0.056 0.000 0.912 1118 G HN 1.158 nan 8.290 nan 0.000 0.456 1119 G N 1.106 109.949 108.800 0.072 0.000 2.364 1119 G HA2 0.387 4.347 3.960 0.000 0.000 0.267 1119 G HA3 0.387 4.347 3.960 0.000 0.000 0.267 1119 G C 0.617 175.500 174.900 -0.028 0.000 1.233 1119 G CA -0.444 44.733 45.100 0.128 0.000 0.885 1119 G HN 0.419 nan 8.290 nan 0.000 0.490 1120 L N 2.125 123.280 121.223 -0.113 0.000 2.316 1120 L HA 0.156 4.496 4.340 0.000 0.000 0.207 1120 L C 1.385 178.105 176.870 -0.250 0.000 1.070 1120 L CA 0.460 55.207 54.840 -0.154 0.000 0.820 1120 L CB -0.944 41.033 42.059 -0.137 0.000 0.992 1120 L HN 0.503 nan 8.230 nan 0.000 0.466 1121 N N 2.431 120.837 118.700 -0.489 0.000 2.468 1121 N HA -0.014 4.726 4.740 0.000 0.000 0.265 1121 N C -1.628 173.589 175.510 -0.488 0.000 1.199 1121 N CA -0.985 51.666 53.050 -0.665 0.000 0.928 1121 N CB 1.611 39.258 38.487 -1.400 0.000 1.059 1121 N HN 0.037 nan 8.380 nan 0.000 0.467 1122 P HA -0.104 nan 4.420 nan 0.000 0.219 1122 P C 0.257 177.526 177.300 -0.051 0.000 1.146 1122 P CA 1.052 64.081 63.100 -0.118 0.000 0.808 1122 P CB 0.399 32.051 31.700 -0.080 0.000 0.779 1123 N N -0.700 117.963 118.700 -0.061 0.000 2.459 1123 N HA -0.028 4.712 4.740 0.000 0.000 0.181 1123 N C 0.477 176.180 175.510 0.321 0.000 1.046 1123 N CA 0.563 53.677 53.050 0.107 0.000 0.904 1123 N CB -0.586 37.981 38.487 0.134 0.000 0.964 1123 N HN 0.150 nan 8.380 nan 0.000 0.444 1124 F N 1.704 121.658 119.950 0.006 0.000 2.399 1124 F HA 0.293 4.820 4.527 0.000 0.000 0.342 1124 F C 0.974 176.782 175.800 0.014 0.000 1.106 1124 F CA -1.335 56.670 58.000 0.010 0.000 1.196 1124 F CB 0.245 39.251 39.000 0.009 0.000 1.163 1124 F HN -0.127 nan 8.300 nan 0.000 0.547 1125 E N 0.673 120.986 120.200 0.189 0.000 2.244 1125 E HA 0.405 4.755 4.350 0.000 0.000 0.266 1125 E C -1.102 175.556 176.600 0.096 0.000 0.914 1125 E CA -1.214 55.256 56.400 0.116 0.000 0.794 1125 E CB 2.394 32.143 29.700 0.081 0.000 1.210 1125 E HN 0.175 nan 8.360 nan 0.000 0.414 1126 V N 2.374 122.336 119.914 0.080 0.000 2.441 1126 V HA 0.149 4.269 4.120 0.000 0.000 0.279 1126 V C 1.190 177.321 176.094 0.060 0.000 0.990 1126 V CA 2.015 64.357 62.300 0.071 0.000 1.116 1126 V CB -0.275 31.585 31.823 0.062 0.000 0.977 1126 V HN 1.082 nan 8.190 nan 0.000 0.470 1127 G N 3.625 112.460 108.800 0.058 0.000 2.260 1127 G HA2 -0.140 3.820 3.960 0.000 0.000 0.179 1127 G HA3 -0.140 3.820 3.960 0.000 0.000 0.179 1127 G C -0.071 174.853 174.900 0.040 0.000 1.002 1127 G CA -0.180 44.950 45.100 0.051 0.000 0.677 1127 G HN 0.606 nan 8.290 nan 0.000 0.486 1128 D N 0.228 120.636 120.400 0.013 0.000 2.377 1128 D HA 0.529 5.169 4.640 0.000 0.000 0.245 1128 D C 0.524 176.777 176.300 -0.078 0.000 1.196 1128 D CA 0.240 54.212 54.000 -0.046 0.000 0.962 1128 D CB 1.315 42.031 40.800 -0.140 0.000 1.127 1128 D HN 0.254 nan 8.370 nan 0.000 0.471 1129 I N 0.903 121.382 120.570 -0.153 0.000 2.406 1129 I HA 0.260 4.430 4.170 0.000 0.000 0.290 1129 I C -0.107 175.865 176.117 -0.240 0.000 0.999 1129 I CA -0.483 60.731 61.300 -0.143 0.000 1.124 1129 I CB 1.671 39.584 38.000 -0.144 0.000 1.289 1129 I HN 0.047 nan 8.210 nan 0.000 0.441 1130 M N 7.213 126.741 119.600 -0.120 0.000 2.243 1130 M HA 0.429 4.909 4.480 0.000 0.000 0.324 1130 M C -1.554 174.779 176.300 0.056 0.000 1.031 1130 M CA -0.975 54.237 55.300 -0.146 0.000 0.949 1130 M CB 1.847 34.339 32.600 -0.181 0.000 1.615 1130 M HN 0.441 nan 8.290 nan 0.000 0.430 1131 L N 6.373 127.609 121.223 0.022 0.000 2.331 1131 L HA 0.447 4.787 4.340 0.000 0.000 0.278 1131 L C -0.937 175.848 176.870 -0.142 0.000 1.106 1131 L CA 0.209 55.032 54.840 -0.028 0.000 0.824 1131 L CB 0.639 42.663 42.059 -0.060 0.000 1.142 1131 L HN 0.644 nan 8.230 nan 0.000 0.443 1132 I N 6.232 126.634 120.570 -0.281 0.000 2.337 1132 I HA 0.227 4.397 4.170 0.000 0.000 0.291 1132 I C 1.142 176.950 176.117 -0.514 0.000 1.046 1132 I CA -0.010 61.047 61.300 -0.405 0.000 1.324 1132 I CB 0.666 38.334 38.000 -0.555 0.000 1.409 1132 I HN 0.752 nan 8.210 nan 0.000 0.494 1133 R N 3.284 123.563 120.500 -0.370 0.000 2.254 1133 R HA 0.138 4.478 4.340 0.000 0.000 0.193 1133 R C -0.157 176.001 176.300 -0.237 0.000 0.929 1133 R CA 0.470 56.440 56.100 -0.217 0.000 1.038 1133 R CB 0.571 30.837 30.300 -0.057 0.000 1.009 1133 R HN 0.681 nan 8.270 nan 0.000 0.512 1134 D N -1.122 119.055 120.400 -0.372 0.000 2.692 1134 D HA 0.149 4.789 4.640 0.000 0.000 0.290 1134 D C -1.607 174.633 176.300 -0.099 0.000 1.281 1134 D CA -0.394 53.508 54.000 -0.163 0.000 0.804 1134 D CB 1.342 42.128 40.800 -0.023 0.000 1.331 1134 D HN 0.291 nan 8.370 nan 0.000 0.432 1135 H N -1.118 118.013 119.070 0.102 0.000 3.008 1135 H HA 0.678 5.234 4.556 0.000 0.000 0.354 1135 H C -1.030 174.345 175.328 0.078 0.000 1.252 1135 H CA -0.956 55.167 56.048 0.124 0.000 1.117 1135 H CB 1.480 31.391 29.762 0.248 0.000 1.857 1135 H HN 0.232 nan 8.280 nan 0.000 0.547 1136 I N 1.845 122.585 120.570 0.284 0.000 2.418 1136 I HA 0.143 4.313 4.170 0.000 0.000 0.287 1136 I C -0.323 175.736 176.117 -0.097 0.000 1.008 1136 I CA -0.442 60.921 61.300 0.104 0.000 1.104 1136 I CB 1.739 39.757 38.000 0.030 0.000 1.264 1136 I HN 0.618 nan 8.210 nan 0.000 0.438 1137 N N 7.060 125.608 118.700 -0.253 0.000 2.801 1137 N HA 0.288 5.028 4.740 0.000 0.000 0.235 1137 N C 0.907 176.043 175.510 -0.622 0.000 1.069 1137 N CA -0.354 52.456 53.050 -0.400 0.000 0.946 1137 N CB 0.761 39.039 38.487 -0.348 0.000 1.212 1137 N HN 0.656 nan 8.380 nan 0.000 0.509 1138 L N 3.202 124.162 121.223 -0.439 0.000 1.994 1138 L HA -0.074 4.266 4.340 0.000 0.000 0.208 1138 L C -0.677 176.106 176.870 -0.145 0.000 1.071 1138 L CA 1.394 56.028 54.840 -0.343 0.000 0.745 1138 L CB -1.554 40.448 42.059 -0.095 0.000 0.892 1138 L HN 0.439 nan 8.230 nan 0.000 0.431 1139 P HA -0.160 nan 4.420 nan 0.000 0.216 1139 P C 1.542 178.899 177.300 0.095 0.000 1.150 1139 P CA 1.758 64.925 63.100 0.113 0.000 0.843 1139 P CB -0.214 31.657 31.700 0.285 0.000 0.787 1140 G N -1.516 107.263 108.800 -0.034 0.000 2.470 1140 G HA2 -0.249 3.711 3.960 0.000 0.000 0.220 1140 G HA3 -0.249 3.711 3.960 0.000 0.000 0.220 1140 G C 1.077 176.063 174.900 0.144 0.000 1.121 1140 G CA 0.265 45.368 45.100 0.005 0.000 0.766 1140 G HN 0.134 nan 8.290 nan 0.000 0.553 1141 F N 2.096 122.086 119.950 0.067 0.000 2.293 1141 F HA -0.016 4.511 4.527 0.000 0.000 0.300 1141 F C 2.797 178.634 175.800 0.061 0.000 1.086 1141 F CA 0.845 58.880 58.000 0.059 0.000 1.375 1141 F CB -0.432 38.599 39.000 0.051 0.000 1.045 1141 F HN 0.235 nan 8.300 nan 0.000 0.516 1142 S N -1.593 114.258 115.700 0.252 0.000 2.577 1142 S HA 0.462 4.932 4.470 0.000 0.000 0.219 1142 S C 1.668 176.354 174.600 0.143 0.000 0.962 1142 S CA 0.312 58.614 58.200 0.170 0.000 0.921 1142 S CB 0.149 63.433 63.200 0.141 0.000 0.789 1142 S HN 0.512 nan 8.310 nan 0.000 0.497 1143 G N 0.893 109.786 108.800 0.155 0.000 2.195 1143 G HA2 -0.201 3.759 3.960 0.000 0.000 0.224 1143 G HA3 -0.201 3.759 3.960 0.000 0.000 0.224 1143 G C -0.097 174.896 174.900 0.155 0.000 0.990 1143 G CA -0.381 44.801 45.100 0.136 0.000 0.639 1143 G HN 0.455 nan 8.290 nan 0.000 0.514 1144 Q N 0.770 120.687 119.800 0.194 0.000 2.325 1144 Q HA 0.396 4.736 4.340 0.000 0.000 0.256 1144 Q C -0.042 176.175 176.000 0.363 0.000 1.142 1144 Q CA 0.449 56.433 55.803 0.303 0.000 0.902 1144 Q CB 0.393 29.345 28.738 0.356 0.000 1.350 1144 Q HN 0.682 nan 8.270 nan 0.000 0.449 1145 N N 2.584 121.476 118.700 0.319 0.000 2.406 1145 N HA 0.237 4.977 4.740 0.000 0.000 0.283 1145 N C -2.147 173.465 175.510 0.171 0.000 1.074 1145 N CA -1.282 51.850 53.050 0.135 0.000 0.916 1145 N CB 1.890 40.415 38.487 0.064 0.000 1.639 1145 N HN 0.029 nan 8.380 nan 0.000 0.485 1146 P HA -0.092 nan 4.420 nan 0.000 0.225 1146 P C 0.712 178.054 177.300 0.069 0.000 1.148 1146 P CA 0.922 64.113 63.100 0.152 0.000 0.779 1146 P CB 0.344 32.082 31.700 0.063 0.000 0.780 1147 L N -1.346 119.863 121.223 -0.024 0.000 2.591 1147 L HA 0.140 4.480 4.340 0.000 0.000 0.228 1147 L C 1.701 178.542 176.870 -0.048 0.000 1.133 1147 L CA -0.271 54.503 54.840 -0.109 0.000 0.880 1147 L CB -0.460 41.473 42.059 -0.210 0.000 1.033 1147 L HN -0.074 nan 8.230 nan 0.000 0.450 1148 R N 1.172 121.687 120.500 0.025 0.000 2.640 1148 R HA 0.338 4.678 4.340 0.000 0.000 0.270 1148 R C 0.259 176.564 176.300 0.008 0.000 1.024 1148 R CA 1.011 57.130 56.100 0.033 0.000 1.085 1148 R CB 0.323 30.671 30.300 0.080 0.000 0.963 1148 R HN 0.230 nan 8.270 nan 0.000 0.426 1149 G N 3.826 112.620 108.800 -0.009 0.000 2.479 1149 G HA2 -0.138 3.822 3.960 0.000 0.000 0.686 1149 G HA3 -0.138 3.822 3.960 0.000 0.000 0.686 1149 G C -2.688 172.194 174.900 -0.031 0.000 1.295 1149 G CA -0.781 44.304 45.100 -0.025 0.000 0.922 1149 G HN 0.606 nan 8.290 nan 0.000 0.582 1150 P HA 0.223 nan 4.420 nan 0.000 0.267 1150 P C -0.117 177.171 177.300 -0.021 0.000 1.200 1150 P CA -0.148 62.934 63.100 -0.028 0.000 0.772 1150 P CB 0.622 32.310 31.700 -0.020 0.000 0.855 1151 N N 1.530 120.209 118.700 -0.035 0.000 2.530 1151 N HA 0.061 4.801 4.740 0.000 0.000 0.273 1151 N C -0.301 175.235 175.510 0.043 0.000 1.173 1151 N CA -0.160 52.887 53.050 -0.006 0.000 0.967 1151 N CB 0.423 38.886 38.487 -0.039 0.000 1.109 1151 N HN 0.281 nan 8.380 nan 0.000 0.453 1152 E N 2.359 122.637 120.200 0.130 0.000 2.079 1152 E HA 0.102 4.452 4.350 0.000 0.000 0.252 1152 E C 0.244 176.877 176.600 0.056 0.000 0.992 1152 E CA -0.182 56.282 56.400 0.106 0.000 0.829 1152 E CB -0.050 29.802 29.700 0.255 0.000 1.158 1152 E HN 0.531 nan 8.360 nan 0.000 0.435 1153 E N 3.072 123.247 120.200 -0.041 0.000 2.136 1153 E HA -0.295 4.055 4.350 0.000 0.000 0.202 1153 E C 1.163 177.670 176.600 -0.154 0.000 1.019 1153 E CA 1.206 57.556 56.400 -0.083 0.000 0.819 1153 E CB -0.062 29.578 29.700 -0.101 0.000 0.739 1153 E HN 0.490 nan 8.360 nan 0.000 0.458 1154 R N -0.686 119.629 120.500 -0.308 0.000 2.293 1154 R HA -0.089 4.251 4.340 0.000 0.000 0.219 1154 R C 1.638 177.714 176.300 -0.374 0.000 1.091 1154 R CA 0.810 56.634 56.100 -0.459 0.000 1.004 1154 R CB -0.061 29.671 30.300 -0.946 0.000 0.865 1154 R HN 0.138 nan 8.270 nan 0.000 0.469 1155 F N -1.488 118.396 119.950 -0.109 0.000 2.490 1155 F HA 0.348 4.875 4.527 0.000 0.000 0.280 1155 F C 1.359 176.969 175.800 -0.317 0.000 1.030 1155 F CA 0.606 58.543 58.000 -0.105 0.000 1.367 1155 F CB 0.258 39.259 39.000 0.003 0.000 1.131 1155 F HN -0.018 nan 8.300 nan 0.000 0.632 1156 G N -0.683 107.940 108.800 -0.294 0.000 2.489 1156 G HA2 0.470 4.430 3.960 0.000 0.000 0.305 1156 G HA3 0.470 4.430 3.960 0.000 0.000 0.305 1156 G C -1.537 173.159 174.900 -0.340 0.000 1.311 1156 G CA -0.150 44.524 45.100 -0.710 0.000 0.813 1156 G HN 0.145 nan 8.290 nan 0.000 0.480 1157 V N -1.657 118.143 119.914 -0.189 0.000 3.170 1157 V HA 0.704 4.824 4.120 0.000 0.000 0.309 1157 V C 1.808 177.981 176.094 0.132 0.000 1.071 1157 V CA -0.152 62.157 62.300 0.015 0.000 1.063 1157 V CB 1.457 33.293 31.823 0.021 0.000 1.123 1157 V HN 0.827 nan 8.190 nan 0.000 0.464 1158 R N 1.357 121.826 120.500 -0.051 0.000 2.070 1158 R HA 0.052 4.392 4.340 0.000 0.000 0.233 1158 R C 0.560 176.593 176.300 -0.446 0.000 1.137 1158 R CA 1.662 57.563 56.100 -0.331 0.000 0.945 1158 R CB -0.870 29.061 30.300 -0.615 0.000 0.845 1158 R HN 0.742 nan 8.270 nan 0.000 0.430 1159 F N 3.082 123.082 119.950 0.083 0.000 2.334 1159 F HA 0.392 4.919 4.527 0.000 0.000 0.343 1159 F C -1.854 173.992 175.800 0.076 0.000 1.136 1159 F CA -2.734 55.306 58.000 0.068 0.000 1.237 1159 F CB 0.696 39.724 39.000 0.047 0.000 1.525 1159 F HN 0.005 nan 8.300 nan 0.000 0.528 1160 P HA 0.185 nan 4.420 nan 0.000 0.267 1160 P C -0.155 177.225 177.300 0.133 0.000 1.209 1160 P CA -0.002 63.203 63.100 0.175 0.000 0.763 1160 P CB 1.125 32.961 31.700 0.227 0.000 0.816 1161 A N 3.690 126.567 122.820 0.094 0.000 2.445 1161 A HA 0.247 4.567 4.320 0.000 0.000 0.242 1161 A C 0.887 178.495 177.584 0.039 0.000 1.075 1161 A CA 0.046 52.121 52.037 0.064 0.000 0.777 1161 A CB 0.139 19.164 19.000 0.042 0.000 1.013 1161 A HN 0.574 nan 8.150 nan 0.000 0.493 1162 M N 1.476 121.093 119.600 0.027 0.000 2.251 1162 M HA 0.055 4.535 4.480 0.000 0.000 0.308 1162 M C 1.978 178.252 176.300 -0.043 0.000 0.967 1162 M CA 1.155 56.448 55.300 -0.012 0.000 1.103 1162 M CB -0.478 32.137 32.600 0.024 0.000 1.815 1162 M HN 0.898 nan 8.290 nan 0.000 0.623 1163 S N 0.755 116.450 115.700 -0.008 0.000 2.392 1163 S HA -0.171 4.299 4.470 0.000 0.000 0.232 1163 S C 1.169 175.766 174.600 -0.005 0.000 1.041 1163 S CA 1.796 59.994 58.200 -0.003 0.000 1.026 1163 S CB -0.898 62.310 63.200 0.013 0.000 0.845 1163 S HN 0.653 nan 8.310 nan 0.000 0.465 1164 D N 0.959 121.351 120.400 -0.014 0.000 2.587 1164 D HA 0.508 5.148 4.640 0.000 0.000 0.233 1164 D C 1.340 177.604 176.300 -0.059 0.000 1.213 1164 D CA 0.384 54.377 54.000 -0.012 0.000 0.827 1164 D CB 0.230 41.026 40.800 -0.006 0.000 1.006 1164 D HN 0.429 nan 8.370 nan 0.000 0.490 1165 A N 0.205 122.949 122.820 -0.127 0.000 1.892 1165 A HA -0.175 4.145 4.320 0.000 0.000 0.218 1165 A C 0.412 177.702 177.584 -0.491 0.000 1.188 1165 A CA 0.856 52.692 52.037 -0.335 0.000 0.631 1165 A CB -0.765 17.929 19.000 -0.509 0.000 0.822 1165 A HN 0.357 nan 8.150 nan 0.000 0.447 1166 Y N 0.248 120.517 120.300 -0.052 0.000 2.327 1166 Y HA 0.380 4.930 4.550 0.000 0.000 0.336 1166 Y C 0.131 176.022 175.900 -0.015 0.000 1.035 1166 Y CA -1.294 56.788 58.100 -0.031 0.000 1.165 1166 Y CB 0.375 38.807 38.460 -0.047 0.000 1.181 1166 Y HN 0.218 nan 8.280 nan 0.000 0.494 1167 D N 2.912 123.362 120.400 0.082 0.000 2.451 1167 D HA -0.014 4.626 4.640 0.000 0.000 0.254 1167 D C 1.181 177.500 176.300 0.031 0.000 1.204 1167 D CA 0.456 54.482 54.000 0.043 0.000 0.896 1167 D CB 0.712 41.538 40.800 0.044 0.000 1.136 1167 D HN 0.510 nan 8.370 nan 0.000 0.499 1168 R N 2.874 123.388 120.500 0.023 0.000 2.082 1168 R HA -0.142 4.198 4.340 0.000 0.000 0.234 1168 R C 1.151 177.452 176.300 0.000 0.000 1.136 1168 R CA 1.520 57.633 56.100 0.021 0.000 0.935 1168 R CB -0.163 30.150 30.300 0.021 0.000 0.842 1168 R HN 0.626 nan 8.270 nan 0.000 0.430 1169 D N 0.321 120.712 120.400 -0.015 0.000 2.116 1169 D HA -0.205 4.435 4.640 0.000 0.000 0.193 1169 D C 1.913 178.163 176.300 -0.083 0.000 0.998 1169 D CA 1.266 55.246 54.000 -0.033 0.000 0.836 1169 D CB -0.143 40.636 40.800 -0.035 0.000 0.951 1169 D HN 0.115 nan 8.370 nan 0.000 0.449 1170 M N 0.338 119.847 119.600 -0.151 0.000 2.202 1170 M HA -0.116 4.364 4.480 0.000 0.000 0.262 1170 M C 2.165 178.300 176.300 -0.273 0.000 1.063 1170 M CA 1.157 56.253 55.300 -0.341 0.000 1.097 1170 M CB -0.762 31.472 32.600 -0.610 0.000 1.382 1170 M HN -0.025 nan 8.290 nan 0.000 0.413 1171 R N -0.258 120.162 120.500 -0.133 0.000 2.066 1171 R HA -0.119 4.221 4.340 0.000 0.000 0.232 1171 R C 2.310 178.606 176.300 -0.007 0.000 1.131 1171 R CA 1.330 57.372 56.100 -0.097 0.000 0.955 1171 R CB -0.247 30.047 30.300 -0.009 0.000 0.851 1171 R HN 0.518 nan 8.270 nan 0.000 0.432 1172 Q N 0.620 120.466 119.800 0.076 0.000 2.002 1172 Q HA -0.212 4.128 4.340 0.000 0.000 0.204 1172 Q C 1.963 178.037 176.000 0.124 0.000 0.988 1172 Q CA 1.760 57.657 55.803 0.157 0.000 0.843 1172 Q CB -0.181 28.605 28.738 0.081 0.000 0.908 1172 Q HN 0.273 nan 8.270 nan 0.000 0.420 1173 K N 0.536 120.954 120.400 0.029 0.000 2.160 1173 K HA -0.161 4.159 4.320 0.000 0.000 0.206 1173 K C 2.142 178.787 176.600 0.075 0.000 1.047 1173 K CA 1.125 57.426 56.287 0.024 0.000 0.930 1173 K CB -0.276 32.187 32.500 -0.061 0.000 0.720 1173 K HN 0.199 nan 8.250 nan 0.000 0.450 1174 A N 1.642 124.476 122.820 0.023 0.000 1.908 1174 A HA -0.205 4.115 4.320 0.000 0.000 0.218 1174 A C 1.866 179.644 177.584 0.322 0.000 1.181 1174 A CA 1.409 53.552 52.037 0.177 0.000 0.627 1174 A CB -0.591 18.454 19.000 0.075 0.000 0.818 1174 A HN 0.274 nan 8.150 nan 0.000 0.445 1175 H N -0.286 118.933 119.070 0.248 0.000 2.284 1175 H HA -0.040 4.516 4.556 0.000 0.000 0.304 1175 H C 2.680 178.145 175.328 0.228 0.000 1.069 1175 H CA 1.539 57.710 56.048 0.205 0.000 1.327 1175 H CB -0.696 29.128 29.762 0.103 0.000 1.387 1175 H HN 0.468 nan 8.280 nan 0.000 0.498 1176 S N -0.007 115.868 115.700 0.292 0.000 2.389 1176 S HA -0.234 4.236 4.470 0.000 0.000 0.229 1176 S C 2.235 176.953 174.600 0.197 0.000 1.048 1176 S CA 2.274 60.590 58.200 0.192 0.000 1.117 1176 S CB -0.728 62.550 63.200 0.131 0.000 1.020 1176 S HN 0.521 nan 8.310 nan 0.000 0.430 1177 T N 0.501 115.194 114.554 0.231 0.000 3.025 1177 T HA -0.109 4.241 4.350 0.000 0.000 0.270 1177 T C 1.193 176.066 174.700 0.288 0.000 1.126 1177 T CA 1.016 63.264 62.100 0.248 0.000 1.105 1177 T CB -0.329 68.709 68.868 0.283 0.000 0.884 1177 T HN 0.662 nan 8.240 nan 0.000 0.522 1178 W N 1.178 122.523 121.300 0.076 0.000 2.704 1178 W HA 0.122 4.782 4.660 0.000 0.000 0.266 1178 W C 1.546 177.993 176.519 -0.119 0.000 1.266 1178 W CA 0.185 57.409 57.345 -0.202 0.000 1.377 1178 W CB 0.021 29.275 29.460 -0.343 0.000 1.082 1178 W HN 0.284 nan 8.180 nan 0.000 0.608 1179 K N 0.819 121.280 120.400 0.102 0.000 1.991 1179 K HA -0.225 4.095 4.320 0.000 0.000 0.207 1179 K C 2.181 178.735 176.600 -0.077 0.000 1.045 1179 K CA 2.181 58.479 56.287 0.019 0.000 0.937 1179 K CB -0.691 31.867 32.500 0.095 0.000 0.720 1179 K HN 0.169 nan 8.250 nan 0.000 0.438 1180 Q N 1.001 120.784 119.800 -0.029 0.000 2.173 1180 Q HA -0.211 4.129 4.340 0.000 0.000 0.208 1180 Q C 1.982 177.918 176.000 -0.107 0.000 0.989 1180 Q CA 1.807 57.584 55.803 -0.044 0.000 0.872 1180 Q CB -0.620 28.114 28.738 -0.006 0.000 0.909 1180 Q HN 0.275 nan 8.270 nan 0.000 0.420 1181 M N 0.262 119.753 119.600 -0.182 0.000 2.260 1181 M HA -0.094 4.386 4.480 0.000 0.000 0.261 1181 M C 1.044 177.175 176.300 -0.283 0.000 1.066 1181 M CA 1.442 56.578 55.300 -0.272 0.000 1.082 1181 M CB -0.496 31.806 32.600 -0.496 0.000 1.388 1181 M HN 0.667 nan 8.290 nan 0.000 0.419 1182 G N 1.350 109.990 108.800 -0.266 0.000 2.225 1182 G HA2 -0.181 3.779 3.960 0.000 0.000 0.264 1182 G HA3 -0.181 3.779 3.960 0.000 0.000 0.264 1182 G C -0.346 174.395 174.900 -0.264 0.000 1.060 1182 G CA -0.252 44.725 45.100 -0.204 0.000 0.833 1182 G HN 0.394 nan 8.290 nan 0.000 0.498 1183 E N -0.267 119.671 120.200 -0.438 0.000 2.360 1183 E HA 0.229 4.579 4.350 0.000 0.000 0.269 1183 E C 1.325 177.834 176.600 -0.152 0.000 1.022 1183 E CA -0.423 55.709 56.400 -0.446 0.000 0.887 1183 E CB 0.836 29.930 29.700 -1.011 0.000 0.990 1183 E HN 0.384 nan 8.360 nan 0.000 0.426 1184 Q N 1.366 121.121 119.800 -0.074 0.000 2.089 1184 Q HA -0.041 4.300 4.340 0.000 0.000 0.195 1184 Q C 0.750 176.792 176.000 0.071 0.000 0.963 1184 Q CA 0.780 56.583 55.803 -0.001 0.000 0.834 1184 Q CB -0.101 28.632 28.738 -0.008 0.000 0.906 1184 Q HN 0.202 nan 8.270 nan 0.000 0.452 1185 R N 3.111 123.678 120.500 0.111 0.000 2.438 1185 R HA 0.028 4.368 4.340 0.000 0.000 0.287 1185 R C -0.246 176.230 176.300 0.293 0.000 1.077 1185 R CA -0.004 56.191 56.100 0.158 0.000 1.034 1185 R CB 0.255 30.642 30.300 0.144 0.000 0.993 1185 R HN 0.222 nan 8.270 nan 0.000 0.459 1186 E N 3.944 124.250 120.200 0.176 0.000 2.409 1186 E HA 0.035 4.385 4.350 0.000 0.000 0.257 1186 E C -0.598 175.900 176.600 -0.170 0.000 1.150 1186 E CA -0.657 55.825 56.400 0.137 0.000 0.942 1186 E CB 0.552 30.279 29.700 0.044 0.000 0.979 1186 E HN 0.439 nan 8.360 nan 0.000 0.447 1187 L N 3.028 123.931 121.223 -0.534 0.000 2.312 1187 L HA 0.117 4.457 4.340 0.000 0.000 0.287 1187 L C -0.128 176.497 176.870 -0.408 0.000 1.091 1187 L CA -0.319 53.921 54.840 -0.999 0.000 0.846 1187 L CB 0.722 41.999 42.059 -1.304 0.000 1.219 1187 L HN 0.707 nan 8.230 nan 0.000 0.439 1188 Q N 3.674 123.231 119.800 -0.406 0.000 2.584 1188 Q HA 0.122 4.462 4.340 0.000 0.000 0.235 1188 Q C -0.441 175.454 176.000 -0.175 0.000 1.079 1188 Q CA 0.431 56.040 55.803 -0.323 0.000 0.977 1188 Q CB 0.942 29.267 28.738 -0.688 0.000 1.293 1188 Q HN 0.580 nan 8.270 nan 0.000 0.553 1189 E N -0.976 119.187 120.200 -0.062 0.000 2.313 1189 E HA 0.546 4.896 4.350 0.000 0.000 0.280 1189 E C -1.292 175.373 176.600 0.108 0.000 0.898 1189 E CA -0.270 56.145 56.400 0.026 0.000 0.803 1189 E CB 1.131 30.885 29.700 0.091 0.000 1.286 1189 E HN 0.714 nan 8.360 nan 0.000 0.401 1190 G N 1.375 110.229 108.800 0.090 0.000 2.721 1190 G HA2 0.428 4.388 3.960 0.000 0.000 0.296 1190 G HA3 0.428 4.388 3.960 0.000 0.000 0.296 1190 G C -1.014 173.916 174.900 0.051 0.000 1.383 1190 G CA -0.468 44.714 45.100 0.136 0.000 0.788 1190 G HN 0.276 nan 8.290 nan 0.000 0.500 1191 T N 0.540 115.134 114.554 0.067 0.000 2.799 1191 T HA 0.418 4.768 4.350 0.000 0.000 0.286 1191 T C -1.162 173.600 174.700 0.104 0.000 0.973 1191 T CA 0.145 62.273 62.100 0.048 0.000 1.035 1191 T CB 0.754 69.647 68.868 0.042 0.000 0.932 1191 T HN 0.382 nan 8.240 nan 0.000 0.469 1192 Y N 3.818 124.107 120.300 -0.017 0.000 2.320 1192 Y HA 0.601 5.151 4.550 0.000 0.000 0.334 1192 Y C -0.548 175.368 175.900 0.028 0.000 1.055 1192 Y CA -0.726 57.379 58.100 0.008 0.000 1.143 1192 Y CB 0.948 39.400 38.460 -0.012 0.000 1.193 1192 Y HN 0.396 nan 8.280 nan 0.000 0.477 1193 V N 8.898 128.502 119.914 -0.516 0.000 2.448 1193 V HA 0.410 4.530 4.120 0.000 0.000 0.295 1193 V C -0.850 174.893 176.094 -0.586 0.000 1.025 1193 V CA -0.821 61.258 62.300 -0.369 0.000 0.859 1193 V CB 1.390 33.088 31.823 -0.207 0.000 0.988 1193 V HN 0.905 nan 8.190 nan 0.000 0.431 1194 M N 7.698 127.110 119.600 -0.314 0.000 2.238 1194 M HA 0.578 5.058 4.480 0.000 0.000 0.350 1194 M C -1.587 174.664 176.300 -0.081 0.000 1.138 1194 M CA -0.493 54.710 55.300 -0.162 0.000 1.040 1194 M CB 1.328 33.939 32.600 0.018 0.000 1.639 1194 M HN 0.690 nan 8.290 nan 0.000 0.451 1195 L N 2.670 123.881 121.223 -0.020 0.000 2.341 1195 L HA 0.780 5.120 4.340 0.000 0.000 0.254 1195 L C 0.760 177.697 176.870 0.111 0.000 1.040 1195 L CA -0.673 54.185 54.840 0.030 0.000 0.837 1195 L CB -0.118 41.939 42.059 -0.003 0.000 1.425 1195 L HN 0.673 nan 8.230 nan 0.000 0.414 1196 G N -0.564 108.311 108.800 0.126 0.000 2.421 1196 G HA2 0.363 4.323 3.960 0.000 0.000 0.216 1196 G HA3 0.363 4.323 3.960 0.000 0.000 0.216 1196 G C 0.770 175.800 174.900 0.217 0.000 1.171 1196 G CA 0.985 46.187 45.100 0.170 0.000 0.775 1196 G HN 1.545 nan 8.290 nan 0.000 0.543 1197 G N -0.202 108.684 108.800 0.143 0.000 2.725 1197 G HA2 -0.083 3.877 3.960 0.000 0.000 0.220 1197 G HA3 -0.083 3.877 3.960 0.000 0.000 0.220 1197 G C -1.034 173.924 174.900 0.097 0.000 1.357 1197 G CA 0.180 45.341 45.100 0.103 0.000 0.866 1197 G HN 0.424 nan 8.290 nan 0.000 0.548 1198 P HA 0.080 nan 4.420 nan 0.000 0.240 1198 P C 0.639 177.875 177.300 -0.106 0.000 1.190 1198 P CA 0.755 63.712 63.100 -0.238 0.000 0.781 1198 P CB -0.320 31.174 31.700 -0.343 0.000 0.931 1199 N N -0.073 118.621 118.700 -0.010 0.000 2.508 1199 N HA 0.058 4.798 4.740 0.000 0.000 0.264 1199 N C -0.369 175.280 175.510 0.232 0.000 1.216 1199 N CA -0.388 52.683 53.050 0.034 0.000 0.943 1199 N CB 0.020 38.521 38.487 0.024 0.000 1.113 1199 N HN -0.255 nan 8.380 nan 0.000 0.447 1200 F N 0.526 120.440 119.950 -0.061 0.000 2.378 1200 F HA 0.259 4.786 4.527 0.000 0.000 0.319 1200 F C 0.989 176.771 175.800 -0.030 0.000 1.155 1200 F CA -1.005 56.967 58.000 -0.046 0.000 1.157 1200 F CB 0.210 39.186 39.000 -0.039 0.000 1.252 1200 F HN 0.507 nan 8.300 nan 0.000 0.550 1201 E N -0.148 120.105 120.200 0.088 0.000 2.418 1201 E HA 0.178 4.528 4.350 0.000 0.000 0.261 1201 E C 0.126 176.751 176.600 0.041 0.000 1.070 1201 E CA -0.037 56.380 56.400 0.029 0.000 0.931 1201 E CB 0.098 29.776 29.700 -0.036 0.000 0.954 1201 E HN 0.544 nan 8.360 nan 0.000 0.439 1202 T N -1.799 112.770 114.554 0.026 0.000 2.874 1202 T HA 0.177 4.527 4.350 0.000 0.000 0.281 1202 T C 1.238 175.944 174.700 0.010 0.000 0.994 1202 T CA -0.871 61.242 62.100 0.022 0.000 1.015 1202 T CB 0.942 69.820 68.868 0.017 0.000 1.028 1202 T HN 0.131 nan 8.240 nan 0.000 0.523 1203 V N 1.610 121.529 119.914 0.009 0.000 2.332 1203 V HA -0.156 3.964 4.120 0.000 0.000 0.248 1203 V C 3.055 179.147 176.094 -0.003 0.000 1.055 1203 V CA 2.348 64.649 62.300 0.001 0.000 1.038 1203 V CB -1.596 30.228 31.823 0.003 0.000 0.651 1203 V HN 1.090 nan 8.190 nan 0.000 0.450 1204 A N -0.308 122.512 122.820 0.001 0.000 1.933 1204 A HA -0.258 4.062 4.320 0.000 0.000 0.218 1204 A C 2.155 179.738 177.584 -0.003 0.000 1.175 1204 A CA 1.995 54.031 52.037 -0.000 0.000 0.628 1204 A CB -0.422 18.580 19.000 0.003 0.000 0.814 1204 A HN 0.655 nan 8.150 nan 0.000 0.444 1205 E N -0.877 119.322 120.200 -0.002 0.000 2.072 1205 E HA -0.147 4.203 4.350 0.000 0.000 0.191 1205 E C 2.064 178.653 176.600 -0.019 0.000 0.985 1205 E CA 1.186 57.582 56.400 -0.006 0.000 0.801 1205 E CB -0.396 29.303 29.700 -0.003 0.000 0.750 1205 E HN 0.670 nan 8.360 nan 0.000 0.452 1206 C N 0.915 120.199 119.300 -0.026 0.000 2.413 1206 C HA -0.123 4.337 4.460 0.000 0.000 0.276 1206 C C 2.556 177.523 174.990 -0.038 0.000 1.248 1206 C CA 0.684 59.677 59.018 -0.041 0.000 1.742 1206 C CB -0.916 26.799 27.740 -0.041 0.000 2.017 1206 C HN 0.389 nan 8.230 nan 0.000 0.481 1207 R N 0.437 120.921 120.500 -0.027 0.000 2.073 1207 R HA -0.123 4.217 4.340 0.000 0.000 0.234 1207 R C 2.286 178.573 176.300 -0.022 0.000 1.134 1207 R CA 1.348 57.432 56.100 -0.025 0.000 0.952 1207 R CB -0.681 29.609 30.300 -0.017 0.000 0.850 1207 R HN 0.568 nan 8.270 nan 0.000 0.433 1208 L N 1.175 122.389 121.223 -0.014 0.000 2.042 1208 L HA -0.194 4.146 4.340 0.000 0.000 0.210 1208 L C 2.126 178.991 176.870 -0.008 0.000 1.076 1208 L CA 1.452 56.289 54.840 -0.006 0.000 0.749 1208 L CB -0.176 41.885 42.059 0.002 0.000 0.893 1208 L HN 0.192 nan 8.230 nan 0.000 0.432 1209 L N -0.495 120.716 121.223 -0.019 0.000 2.017 1209 L HA -0.216 4.124 4.340 0.000 0.000 0.208 1209 L C 2.851 179.700 176.870 -0.035 0.000 1.073 1209 L CA 1.035 55.858 54.840 -0.027 0.000 0.745 1209 L CB -0.652 41.375 42.059 -0.053 0.000 0.894 1209 L HN 0.284 nan 8.230 nan 0.000 0.432 1210 R N 1.227 121.698 120.500 -0.048 0.000 2.094 1210 R HA -0.197 4.143 4.340 0.000 0.000 0.239 1210 R C 1.856 178.132 176.300 -0.039 0.000 1.137 1210 R CA 2.050 58.115 56.100 -0.059 0.000 0.943 1210 R CB -0.886 29.374 30.300 -0.067 0.000 0.850 1210 R HN 0.323 nan 8.270 nan 0.000 0.433 1211 N N -0.037 118.647 118.700 -0.026 0.000 2.443 1211 N HA -0.107 4.633 4.740 0.000 0.000 0.184 1211 N C 1.093 176.602 175.510 -0.002 0.000 1.037 1211 N CA 0.626 53.667 53.050 -0.015 0.000 0.896 1211 N CB -0.200 38.280 38.487 -0.011 0.000 0.959 1211 N HN 0.143 nan 8.380 nan 0.000 0.442 1212 L N -0.413 120.812 121.223 0.003 0.000 2.478 1212 L HA 0.204 4.544 4.340 0.000 0.000 0.223 1212 L C 1.118 178.003 176.870 0.024 0.000 1.140 1212 L CA 0.691 55.547 54.840 0.025 0.000 0.842 1212 L CB -0.630 41.453 42.059 0.039 0.000 0.953 1212 L HN 0.331 nan 8.230 nan 0.000 0.452 1213 G N -1.534 107.267 108.800 0.002 0.000 2.131 1213 G HA2 -0.093 3.867 3.960 0.000 0.000 0.201 1213 G HA3 -0.093 3.867 3.960 0.000 0.000 0.201 1213 G C 0.300 175.196 174.900 -0.007 0.000 1.000 1213 G CA 0.001 45.100 45.100 -0.000 0.000 0.680 1213 G HN 0.702 nan 8.290 nan 0.000 0.514 1214 A N -0.314 122.491 122.820 -0.026 0.000 2.306 1214 A HA 0.730 5.050 4.320 0.000 0.000 0.314 1214 A C 0.821 178.365 177.584 -0.066 0.000 1.164 1214 A CA 0.150 52.164 52.037 -0.038 0.000 0.822 1214 A CB 0.770 19.733 19.000 -0.063 0.000 1.130 1214 A HN 0.104 nan 8.150 nan 0.000 0.496 1215 D N 0.591 120.969 120.400 -0.036 0.000 2.338 1215 D HA 0.311 4.951 4.640 0.000 0.000 0.208 1215 D C 0.571 176.867 176.300 -0.007 0.000 0.997 1215 D CA 1.405 55.359 54.000 -0.076 0.000 0.880 1215 D CB 0.631 41.468 40.800 0.062 0.000 0.980 1215 D HN 0.672 nan 8.370 nan 0.000 0.509 1216 A N 0.636 123.482 122.820 0.044 0.000 2.539 1216 A HA 0.587 4.907 4.320 0.000 0.000 0.296 1216 A C -0.826 176.655 177.584 -0.171 0.000 1.073 1216 A CA -0.643 51.418 52.037 0.040 0.000 0.700 1216 A CB 1.806 20.936 19.000 0.216 0.000 1.296 1216 A HN -0.087 nan 8.150 nan 0.000 0.405 1217 V N -0.576 119.214 119.914 -0.206 0.000 2.769 1217 V HA 1.017 5.137 4.120 0.000 0.000 0.312 1217 V C 0.361 176.287 176.094 -0.280 0.000 1.061 1217 V CA 0.072 62.162 62.300 -0.350 0.000 0.931 1217 V CB 1.108 32.782 31.823 -0.247 0.000 1.010 1217 V HN 1.800 nan 8.190 nan 0.000 0.433 1218 G N 2.171 110.767 108.800 -0.339 0.000 2.663 1218 G HA2 0.626 4.586 3.960 0.000 0.000 0.299 1218 G HA3 0.626 4.586 3.960 0.000 0.000 0.299 1218 G C -0.955 174.012 174.900 0.113 0.000 1.372 1218 G CA -0.877 44.249 45.100 0.043 0.000 0.781 1218 G HN 0.654 nan 8.290 nan 0.000 0.491 1219 M N 1.545 121.322 119.600 0.295 0.000 3.004 1219 M HA 0.401 4.881 4.480 0.000 0.000 0.365 1219 M C 0.187 176.762 176.300 0.457 0.000 1.317 1219 M CA -0.449 55.063 55.300 0.354 0.000 0.821 1219 M CB 0.844 33.699 32.600 0.425 0.000 1.387 1219 M HN 0.634 nan 8.290 nan 0.000 0.501 1220 S N -2.627 113.325 115.700 0.420 0.000 2.815 1220 S HA 0.651 5.121 4.470 0.000 0.000 0.296 1220 S C 0.506 175.207 174.600 0.169 0.000 1.224 1220 S CA 0.247 58.621 58.200 0.290 0.000 0.938 1220 S CB 1.477 64.835 63.200 0.264 0.000 1.285 1220 S HN 0.302 nan 8.310 nan 0.000 0.549 1221 T N 0.212 114.767 114.554 0.002 0.000 12.532 1221 T HA -0.291 4.059 4.350 0.000 0.000 0.419 1221 T C 1.446 176.088 174.700 -0.098 0.000 1.444 1221 T CA 1.936 63.972 62.100 -0.107 0.000 2.384 1221 T CB -2.338 66.343 68.868 -0.313 0.000 2.842 1221 T HN 1.134 nan 8.240 nan 0.000 0.787 1222 V N 3.099 122.970 119.914 -0.073 0.000 2.250 1222 V HA -0.203 3.917 4.120 0.000 0.000 0.250 1222 V C -0.077 175.851 176.094 -0.278 0.000 1.060 1222 V CA 2.914 65.074 62.300 -0.234 0.000 1.030 1222 V CB -1.712 29.883 31.823 -0.380 0.000 0.643 1222 V HN 0.462 nan 8.190 nan 0.000 0.445 1223 P HA -0.145 nan 4.420 nan 0.000 0.215 1223 P C 1.535 178.702 177.300 -0.223 0.000 1.157 1223 P CA 1.416 64.258 63.100 -0.430 0.000 0.868 1223 P CB -0.000 31.345 31.700 -0.591 0.000 0.788 1224 E N -0.632 119.473 120.200 -0.157 0.000 2.058 1224 E HA -0.134 4.216 4.350 0.000 0.000 0.194 1224 E C 2.058 178.588 176.600 -0.117 0.000 0.997 1224 E CA 1.060 57.385 56.400 -0.125 0.000 0.801 1224 E CB -1.287 28.349 29.700 -0.108 0.000 0.746 1224 E HN -0.028 nan 8.360 nan 0.000 0.450 1225 V N 0.900 120.752 119.914 -0.103 0.000 2.287 1225 V HA -0.276 3.844 4.120 0.000 0.000 0.248 1225 V C 2.179 178.221 176.094 -0.087 0.000 1.053 1225 V CA 1.717 63.954 62.300 -0.105 0.000 1.027 1225 V CB -0.442 31.345 31.823 -0.060 0.000 0.646 1225 V HN 0.282 nan 8.190 nan 0.000 0.447 1226 I N -0.498 120.037 120.570 -0.059 0.000 2.208 1226 I HA -0.224 3.946 4.170 0.000 0.000 0.245 1226 I C 2.343 178.427 176.117 -0.055 0.000 1.097 1226 I CA 1.333 62.608 61.300 -0.041 0.000 1.363 1226 I CB -0.354 37.602 38.000 -0.072 0.000 1.051 1226 I HN 0.154 nan 8.210 nan 0.000 0.413 1227 V N 0.807 120.664 119.914 -0.096 0.000 2.427 1227 V HA -0.246 3.874 4.120 0.000 0.000 0.248 1227 V C 2.655 178.693 176.094 -0.092 0.000 1.051 1227 V CA 1.822 64.058 62.300 -0.107 0.000 1.048 1227 V CB -0.869 30.861 31.823 -0.154 0.000 0.666 1227 V HN 0.479 nan 8.190 nan 0.000 0.456 1228 A N 0.008 122.768 122.820 -0.100 0.000 1.877 1228 A HA -0.193 4.127 4.320 0.000 0.000 0.216 1228 A C 2.345 179.890 177.584 -0.066 0.000 1.186 1228 A CA 1.472 53.455 52.037 -0.090 0.000 0.620 1228 A CB -0.446 18.498 19.000 -0.092 0.000 0.822 1228 A HN 0.382 nan 8.150 nan 0.000 0.443 1229 R N -0.809 119.653 120.500 -0.063 0.000 2.096 1229 R HA -0.119 4.221 4.340 0.000 0.000 0.235 1229 R C 2.118 178.420 176.300 0.003 0.000 1.127 1229 R CA 1.471 57.542 56.100 -0.048 0.000 0.968 1229 R CB -1.182 29.077 30.300 -0.068 0.000 0.861 1229 R HN 0.860 nan 8.270 nan 0.000 0.440 1230 H N 0.469 119.496 119.070 -0.072 0.000 2.353 1230 H HA -0.124 4.432 4.556 0.000 0.000 0.300 1230 H C 1.577 176.885 175.328 -0.033 0.000 1.090 1230 H CA 1.934 57.952 56.048 -0.050 0.000 1.327 1230 H CB 0.253 29.976 29.762 -0.065 0.000 1.383 1230 H HN 0.341 nan 8.280 nan 0.000 0.508 1231 C N -0.803 118.459 119.300 -0.064 0.000 2.626 1231 C HA 0.518 4.978 4.460 0.000 0.000 0.266 1231 C C 1.731 176.692 174.990 -0.047 0.000 1.317 1231 C CA 0.340 59.311 59.018 -0.078 0.000 1.716 1231 C CB -0.463 27.238 27.740 -0.064 0.000 1.819 1231 C HN 0.763 nan 8.230 nan 0.000 0.578 1232 G N 0.758 109.525 108.800 -0.054 0.000 2.159 1232 G HA2 -0.171 3.789 3.960 0.000 0.000 0.227 1232 G HA3 -0.171 3.789 3.960 0.000 0.000 0.227 1232 G C -0.132 174.754 174.900 -0.024 0.000 0.986 1232 G CA 0.104 45.182 45.100 -0.037 0.000 0.651 1232 G HN 0.620 nan 8.290 nan 0.000 0.523 1233 L N 0.264 121.470 121.223 -0.028 0.000 2.452 1233 L HA 0.441 4.781 4.340 0.000 0.000 0.267 1233 L C 1.297 178.150 176.870 -0.028 0.000 1.188 1233 L CA -0.665 54.163 54.840 -0.020 0.000 0.821 1233 L CB 0.654 42.699 42.059 -0.022 0.000 1.102 1233 L HN 0.330 nan 8.230 nan 0.000 0.470 1234 R N 1.303 121.798 120.500 -0.008 0.000 2.357 1234 R HA 0.565 4.905 4.340 0.000 0.000 0.296 1234 R C -1.419 174.883 176.300 0.004 0.000 1.052 1234 R CA -0.431 55.673 56.100 0.006 0.000 0.988 1234 R CB 1.131 31.456 30.300 0.042 0.000 1.025 1234 R HN 0.425 nan 8.270 nan 0.000 0.469 1235 V N 5.696 125.602 119.914 -0.013 0.000 2.735 1235 V HA 0.647 4.767 4.120 0.000 0.000 0.310 1235 V C -0.866 175.281 176.094 0.089 0.000 1.061 1235 V CA -0.662 61.605 62.300 -0.055 0.000 0.913 1235 V CB 1.453 33.146 31.823 -0.217 0.000 1.005 1235 V HN 0.814 nan 8.190 nan 0.000 0.428 1236 F N 1.133 121.027 119.950 -0.094 0.000 2.693 1236 F HA 1.000 5.527 4.527 0.000 0.000 0.309 1236 F C -0.278 175.408 175.800 -0.189 0.000 1.129 1236 F CA -0.261 57.679 58.000 -0.099 0.000 0.948 1236 F CB 1.647 40.560 39.000 -0.144 0.000 1.315 1236 F HN 0.902 nan 8.300 nan 0.000 0.447 1237 G N 0.768 109.358 108.800 -0.350 0.000 2.506 1237 G HA2 0.607 4.567 3.960 0.000 0.000 0.292 1237 G HA3 0.607 4.567 3.960 0.000 0.000 0.292 1237 G C -2.523 171.905 174.900 -0.788 0.000 1.425 1237 G CA -0.950 43.812 45.100 -0.564 0.000 0.788 1237 G HN 0.705 nan 8.290 nan 0.000 0.490 1238 F N -0.409 119.501 119.950 -0.065 0.000 2.629 1238 F HA 0.775 5.302 4.527 0.000 0.000 0.316 1238 F C 0.289 176.054 175.800 -0.058 0.000 1.081 1238 F CA -0.998 56.976 58.000 -0.043 0.000 0.954 1238 F CB 2.600 41.609 39.000 0.014 0.000 1.337 1238 F HN 0.344 nan 8.300 nan 0.000 0.474 1239 S N 2.154 117.958 115.700 0.174 0.000 2.478 1239 S HA 0.465 4.935 4.470 0.000 0.000 0.312 1239 S C -1.073 173.597 174.600 0.117 0.000 1.094 1239 S CA -0.599 57.674 58.200 0.122 0.000 1.081 1239 S CB 1.282 64.571 63.200 0.149 0.000 1.007 1239 S HN 0.542 nan 8.310 nan 0.000 0.475 1240 L N 5.183 126.471 121.223 0.109 0.000 2.268 1240 L HA 0.382 4.722 4.340 0.000 0.000 0.289 1240 L C -0.788 176.134 176.870 0.087 0.000 1.064 1240 L CA -0.638 54.252 54.840 0.084 0.000 0.824 1240 L CB 0.212 42.322 42.059 0.085 0.000 1.202 1240 L HN 0.580 nan 8.230 nan 0.000 0.433 1241 I N 5.320 125.931 120.570 0.068 0.000 2.574 1241 I HA -0.046 4.124 4.170 0.000 0.000 0.291 1241 I C 1.673 177.841 176.117 0.084 0.000 1.131 1241 I CA 0.404 61.758 61.300 0.091 0.000 1.352 1241 I CB 0.183 38.241 38.000 0.096 0.000 1.431 1241 I HN 0.580 nan 8.210 nan 0.000 0.543 1242 T N 2.245 116.852 114.554 0.089 0.000 3.086 1242 T HA 0.154 4.504 4.350 0.000 0.000 0.250 1242 T C 0.341 175.093 174.700 0.086 0.000 1.074 1242 T CA -0.267 61.885 62.100 0.086 0.000 0.988 1242 T CB -0.347 68.579 68.868 0.097 0.000 0.988 1242 T HN 0.710 nan 8.240 nan 0.000 0.530 1243 N N -0.959 117.790 118.700 0.081 0.000 2.928 1243 N HA 0.300 5.040 4.740 0.000 0.000 0.247 1243 N C -1.719 173.824 175.510 0.056 0.000 1.141 1243 N CA -1.083 52.011 53.050 0.074 0.000 0.977 1243 N CB 1.446 39.991 38.487 0.096 0.000 1.663 1243 N HN -0.035 nan 8.380 nan 0.000 0.509 1244 K N 0.996 121.428 120.400 0.053 0.000 2.110 1244 K HA 0.493 4.813 4.320 0.000 0.000 0.263 1244 K C -0.216 176.390 176.600 0.011 0.000 0.975 1244 K CA -0.922 55.388 56.287 0.038 0.000 0.895 1244 K CB 1.446 33.973 32.500 0.045 0.000 1.060 1244 K HN 0.528 nan 8.250 nan 0.000 0.448 1245 V N 1.405 121.308 119.914 -0.019 0.000 2.649 1245 V HA 0.253 4.373 4.120 0.000 0.000 0.292 1245 V C 0.338 176.426 176.094 -0.011 0.000 1.055 1245 V CA -0.855 61.428 62.300 -0.029 0.000 1.023 1245 V CB 0.688 32.471 31.823 -0.066 0.000 0.992 1245 V HN 0.509 nan 8.190 nan 0.000 0.480 1246 I N 6.197 126.771 120.570 0.006 0.000 2.680 1246 I HA 0.066 4.236 4.170 0.000 0.000 0.286 1246 I C 0.985 177.100 176.117 -0.003 0.000 1.144 1246 I CA 0.452 61.758 61.300 0.010 0.000 1.370 1246 I CB 0.584 38.597 38.000 0.023 0.000 1.420 1246 I HN 0.745 nan 8.210 nan 0.000 0.540 1247 M N 4.460 124.055 119.600 -0.008 0.000 2.494 1247 M HA 0.083 4.563 4.480 0.000 0.000 0.232 1247 M C -0.017 176.277 176.300 -0.010 0.000 1.137 1247 M CA 0.342 55.633 55.300 -0.015 0.000 1.012 1247 M CB -0.906 31.680 32.600 -0.024 0.000 1.567 1247 M HN 0.681 nan 8.290 nan 0.000 0.486 1267 A N 0.674 123.520 122.820 0.043 0.000 2.460 1267 A HA 0.754 5.074 4.320 0.000 0.000 0.258 1267 A C 1.481 179.096 177.584 0.052 0.000 1.300 1267 A CA 0.754 52.818 52.037 0.045 0.000 0.913 1267 A CB -0.183 18.848 19.000 0.051 0.000 1.031 1267 A HN 0.606 nan 8.150 nan 0.000 0.512 1268 A N 0.572 123.422 122.820 0.050 0.000 1.930 1268 A HA -0.166 4.154 4.320 0.000 0.000 0.217 1268 A C 2.192 179.804 177.584 0.047 0.000 1.175 1268 A CA 1.640 53.708 52.037 0.052 0.000 0.627 1268 A CB -0.390 18.641 19.000 0.051 0.000 0.815 1268 A HN 0.634 nan 8.150 nan 0.000 0.443 1269 Q N 0.845 120.667 119.800 0.037 0.000 2.096 1269 Q HA -0.280 4.060 4.340 0.000 0.000 0.208 1269 Q C 1.833 177.853 176.000 0.034 0.000 0.993 1269 Q CA 2.324 58.144 55.803 0.029 0.000 0.862 1269 Q CB -0.828 27.921 28.738 0.018 0.000 0.915 1269 Q HN 0.703 nan 8.270 nan 0.000 0.416 1270 K N 0.389 120.811 120.400 0.037 0.000 2.209 1270 K HA -0.022 4.298 4.320 0.000 0.000 0.204 1270 K C 2.316 178.986 176.600 0.117 0.000 1.048 1270 K CA 0.747 57.060 56.287 0.043 0.000 0.940 1270 K CB -0.064 32.452 32.500 0.027 0.000 0.729 1270 K HN 0.322 nan 8.250 nan 0.000 0.451 1271 L N 0.815 122.103 121.223 0.110 0.000 2.072 1271 L HA -0.145 4.195 4.340 0.000 0.000 0.205 1271 L C 2.030 178.938 176.870 0.063 0.000 1.079 1271 L CA 1.292 56.199 54.840 0.110 0.000 0.752 1271 L CB -0.146 41.947 42.059 0.057 0.000 0.906 1271 L HN 0.278 nan 8.230 nan 0.000 0.436 1272 E N -0.284 119.944 120.200 0.047 0.000 2.033 1272 E HA -0.319 4.031 4.350 0.000 0.000 0.199 1272 E C 2.119 178.738 176.600 0.032 0.000 1.011 1272 E CA 2.014 58.430 56.400 0.026 0.000 0.815 1272 E CB -0.170 29.544 29.700 0.024 0.000 0.755 1272 E HN 0.639 nan 8.360 nan 0.000 0.451 1273 Q N 0.201 120.031 119.800 0.051 0.000 2.084 1273 Q HA -0.195 4.145 4.340 0.000 0.000 0.202 1273 Q C 2.223 178.289 176.000 0.111 0.000 0.978 1273 Q CA 1.222 57.058 55.803 0.055 0.000 0.844 1273 Q CB -0.588 28.171 28.738 0.034 0.000 0.898 1273 Q HN 0.262 nan 8.270 nan 0.000 0.426 1274 F N 2.524 122.448 119.950 -0.043 0.000 2.161 1274 F HA -0.155 4.372 4.527 0.000 0.000 0.300 1274 F C 2.019 177.805 175.800 -0.023 0.000 1.089 1274 F CA 0.723 58.703 58.000 -0.034 0.000 1.282 1274 F CB -0.426 38.565 39.000 -0.016 0.000 1.010 1274 F HN -0.124 nan 8.300 nan 0.000 0.485 1275 V N -0.389 119.428 119.914 -0.162 0.000 2.358 1275 V HA -0.270 3.850 4.120 0.000 0.000 0.246 1275 V C 2.493 178.556 176.094 -0.052 0.000 1.047 1275 V CA 1.905 64.099 62.300 -0.176 0.000 1.035 1275 V CB -0.990 30.781 31.823 -0.087 0.000 0.658 1275 V HN 0.349 nan 8.190 nan 0.000 0.452 1276 S N 0.281 115.973 115.700 -0.012 0.000 2.359 1276 S HA -0.206 4.264 4.470 0.000 0.000 0.222 1276 S C 1.982 176.595 174.600 0.021 0.000 1.038 1276 S CA 1.558 59.763 58.200 0.009 0.000 1.051 1276 S CB -0.573 62.636 63.200 0.016 0.000 0.944 1276 S HN 0.357 nan 8.310 nan 0.000 0.433 1277 L N 1.717 122.963 121.223 0.038 0.000 1.997 1277 L HA -0.110 4.230 4.340 0.000 0.000 0.216 1277 L C 2.230 179.124 176.870 0.040 0.000 1.074 1277 L CA 1.730 56.603 54.840 0.055 0.000 0.763 1277 L CB -1.378 40.747 42.059 0.110 0.000 0.890 1277 L HN 0.280 nan 8.230 nan 0.000 0.434 1278 L N -0.665 120.561 121.223 0.005 0.000 2.151 1278 L HA -0.309 4.031 4.340 0.000 0.000 0.215 1278 L C 2.683 179.576 176.870 0.038 0.000 1.084 1278 L CA 1.626 56.460 54.840 -0.010 0.000 0.764 1278 L CB -1.056 40.987 42.059 -0.027 0.000 0.891 1278 L HN 0.340 nan 8.230 nan 0.000 0.435 1279 M N -1.137 118.497 119.600 0.056 0.000 2.108 1279 M HA -0.236 4.244 4.480 0.000 0.000 0.257 1279 M C 2.372 178.695 176.300 0.037 0.000 1.071 1279 M CA 2.002 57.338 55.300 0.059 0.000 1.093 1279 M CB -1.468 31.155 32.600 0.038 0.000 1.345 1279 M HN 0.335 nan 8.290 nan 0.000 0.403 1280 A N -0.402 122.433 122.820 0.026 0.000 1.972 1280 A HA -0.112 4.208 4.320 0.000 0.000 0.219 1280 A C 2.362 179.950 177.584 0.008 0.000 1.169 1280 A CA 2.032 54.080 52.037 0.018 0.000 0.635 1280 A CB -0.731 18.281 19.000 0.020 0.000 0.810 1280 A HN 0.542 nan 8.150 nan 0.000 0.446 1281 S N -0.384 115.312 115.700 -0.006 0.000 2.515 1281 S HA 0.120 4.590 4.470 0.000 0.000 0.231 1281 S C 0.658 175.227 174.600 -0.051 0.000 0.987 1281 S CA 0.126 58.302 58.200 -0.039 0.000 0.936 1281 S CB -0.379 62.772 63.200 -0.081 0.000 0.766 1281 S HN 0.511 nan 8.310 nan 0.000 0.528 1282 I N 4.256 124.817 120.570 -0.015 0.000 2.452 1282 I HA 0.136 4.306 4.170 0.000 0.000 0.287 1282 I C -1.761 174.363 176.117 0.011 0.000 1.079 1282 I CA -2.169 59.138 61.300 0.010 0.000 1.387 1282 I CB 0.326 38.373 38.000 0.079 0.000 1.404 1282 I HN 0.026 nan 8.210 nan 0.000 0.522 1283 P HA -0.009 nan 4.420 nan 0.000 0.275 1283 P C 0.366 177.674 177.300 0.013 0.000 1.262 1283 P CA -0.129 62.975 63.100 0.006 0.000 0.834 1283 P CB 0.477 32.179 31.700 0.003 0.000 1.098 1284 V N 0.000 119.921 119.914 0.011 0.000 2.409 1284 V HA 0.000 4.120 4.120 0.000 0.000 0.244 1284 V CA 0.000 62.308 62.300 0.013 0.000 1.235 1284 V CB 0.000 31.832 31.823 0.016 0.000 1.184 1284 V HN 0.000 nan 8.190 nan 0.000 0.556