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 1rzo_1_A DATA FIRST_RESID 1004 DATA SEQUENCE KQYPIINFTT ADATVESYTN FIRAVRSHLT TGADVRHEIP VLPNRVGLPI DATA SEQUENCE SQRFILVELS NHAELSVTLA LDVTNAYVVG CRAGNSAYFF HPDNQEDAEA DATA SEQUENCE ITHLFTDVQN SFTFAFGGNY DRLEQLGGLR ENIELGTGPL EDAISALYYY DATA SEQUENCE STCGTQIPTL ARSFMVCIQM ISEAARFQYI EGEMRTRIRY NRRSAPDPSV DATA SEQUENCE ITLENSWGRL STAIQESNQG AFASPIQLQR RNGSKFNVYD VSILIPIIAL DATA SEQUENCE MVYRCAPPP 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 1004 K HA 0.000 nan 4.320 nan 0.000 0.191 1004 K C 0.000 176.482 176.600 -0.197 0.000 0.988 1004 K CA 0.000 56.220 56.287 -0.111 0.000 0.838 1004 K CB 0.000 32.455 32.500 -0.075 0.000 1.064 1005 Q N 0.514 120.226 119.800 -0.146 0.000 2.331 1005 Q HA 0.436 4.777 4.340 0.001 0.000 0.267 1005 Q C -0.962 174.990 176.000 -0.080 0.000 1.006 1005 Q CA -0.674 55.047 55.803 -0.136 0.000 0.818 1005 Q CB 0.682 29.412 28.738 -0.013 0.000 1.276 1005 Q HN 0.170 nan 8.270 nan 0.000 0.450 1006 Y N 3.424 123.776 120.300 0.088 0.000 2.335 1006 Y HA 0.249 4.800 4.550 0.001 0.000 0.348 1006 Y C -1.560 174.402 175.900 0.103 0.000 1.280 1006 Y CA -1.497 56.664 58.100 0.102 0.000 1.504 1006 Y CB 0.207 38.741 38.460 0.123 0.000 1.366 1006 Y HN 0.557 nan 8.280 nan 0.000 0.621 1007 P HA 0.258 nan 4.420 nan 0.000 0.282 1007 P C -1.066 176.324 177.300 0.151 0.000 1.249 1007 P CA -0.093 63.136 63.100 0.214 0.000 0.806 1007 P CB 0.699 32.571 31.700 0.286 0.000 0.984 1008 I N 3.111 123.741 120.570 0.099 0.000 2.389 1008 I HA 0.362 4.533 4.170 0.001 0.000 0.288 1008 I C -0.336 175.786 176.117 0.008 0.000 0.999 1008 I CA -0.848 60.495 61.300 0.071 0.000 1.129 1008 I CB 1.396 39.454 38.000 0.097 0.000 1.288 1008 I HN 0.090 nan 8.210 nan 0.000 0.444 1009 I N 6.226 126.796 120.570 -0.001 0.000 2.353 1009 I HA 0.286 4.457 4.170 0.001 0.000 0.293 1009 I C 0.017 176.243 176.117 0.181 0.000 0.992 1009 I CA -0.161 61.158 61.300 0.032 0.000 1.268 1009 I CB 0.782 38.784 38.000 0.003 0.000 1.387 1009 I HN 0.462 nan 8.210 nan 0.000 0.478 1010 N N 5.954 124.757 118.700 0.171 0.000 2.405 1010 N HA 0.582 5.323 4.740 0.001 0.000 0.299 1010 N C -1.234 174.341 175.510 0.107 0.000 1.075 1010 N CA -0.377 52.741 53.050 0.113 0.000 0.884 1010 N CB 2.007 40.529 38.487 0.059 0.000 1.194 1010 N HN 0.410 nan 8.380 nan 0.000 0.491 1011 F N 0.109 119.889 119.950 -0.282 0.000 2.635 1011 F HA 0.375 4.903 4.527 0.001 0.000 0.314 1011 F C -0.990 174.626 175.800 -0.308 0.000 1.119 1011 F CA -0.482 57.238 58.000 -0.468 0.000 1.000 1011 F CB 1.805 40.012 39.000 -1.322 0.000 1.278 1011 F HN 0.281 nan 8.300 nan 0.000 0.446 1012 T N 2.366 116.158 114.554 -1.271 0.000 2.886 1012 T HA 0.384 4.735 4.350 0.001 0.000 0.292 1012 T C 0.594 174.620 174.700 -1.123 0.000 1.012 1012 T CA 0.178 61.719 62.100 -0.932 0.000 0.982 1012 T CB 1.341 69.930 68.868 -0.465 0.000 1.018 1012 T HN 0.781 nan 8.240 nan 0.000 0.451 1013 T N 1.592 115.758 114.554 -0.647 0.000 3.148 1013 T HA 0.324 4.675 4.350 0.001 0.000 0.253 1013 T C 0.966 175.524 174.700 -0.238 0.000 1.134 1013 T CA 0.152 62.035 62.100 -0.361 0.000 1.051 1013 T CB -0.150 68.629 68.868 -0.148 0.000 0.959 1013 T HN 0.754 nan 8.240 nan 0.000 0.525 1014 A N 2.322 124.993 122.820 -0.248 0.000 2.410 1014 A HA 0.417 4.738 4.320 0.001 0.000 0.292 1014 A C 0.252 177.736 177.584 -0.167 0.000 1.232 1014 A CA -0.498 51.439 52.037 -0.167 0.000 0.893 1014 A CB -0.679 18.250 19.000 -0.118 0.000 1.131 1014 A HN 0.356 nan 8.150 nan 0.000 0.530 1015 D N 0.101 120.409 120.400 -0.154 0.000 2.689 1015 D HA -0.170 4.471 4.640 0.001 0.000 0.237 1015 D C 0.440 176.687 176.300 -0.087 0.000 1.148 1015 D CA 1.560 55.492 54.000 -0.114 0.000 0.656 1015 D CB -1.479 39.262 40.800 -0.099 0.000 1.050 1015 D HN 0.976 nan 8.370 nan 0.000 0.426 1016 A N 0.296 123.063 122.820 -0.088 0.000 2.371 1016 A HA 0.660 4.981 4.320 0.001 0.000 0.257 1016 A C 1.050 178.660 177.584 0.044 0.000 1.089 1016 A CA 0.460 52.485 52.037 -0.021 0.000 0.794 1016 A CB 0.779 19.781 19.000 0.003 0.000 1.029 1016 A HN 0.315 nan 8.150 nan 0.000 0.488 1017 T N -1.923 112.695 114.554 0.108 0.000 2.907 1017 T HA 0.469 4.819 4.350 0.001 0.000 0.290 1017 T C 0.976 175.757 174.700 0.136 0.000 1.066 1017 T CA -0.011 62.136 62.100 0.079 0.000 1.012 1017 T CB 0.796 69.696 68.868 0.053 0.000 1.184 1017 T HN 1.506 nan 8.240 nan 0.000 0.522 1018 V N -1.158 118.801 119.914 0.074 0.000 2.720 1018 V HA -0.064 4.057 4.120 0.001 0.000 0.256 1018 V C 1.892 178.077 176.094 0.152 0.000 1.082 1018 V CA 1.645 64.009 62.300 0.106 0.000 1.101 1018 V CB -1.340 30.496 31.823 0.023 0.000 0.693 1018 V HN 0.839 nan 8.190 nan 0.000 0.479 1019 E N 2.060 122.330 120.200 0.117 0.000 2.060 1019 E HA -0.063 4.287 4.350 0.001 0.000 0.189 1019 E C 2.524 179.214 176.600 0.149 0.000 0.974 1019 E CA 1.544 58.008 56.400 0.106 0.000 0.808 1019 E CB -0.452 29.291 29.700 0.071 0.000 0.768 1019 E HN 0.846 nan 8.360 nan 0.000 0.453 1020 S N 0.004 115.823 115.700 0.198 0.000 2.368 1020 S HA -0.232 4.239 4.470 0.001 0.000 0.225 1020 S C 2.135 176.971 174.600 0.393 0.000 1.030 1020 S CA 0.986 59.352 58.200 0.276 0.000 0.999 1020 S CB -0.619 62.743 63.200 0.270 0.000 0.844 1020 S HN 0.371 nan 8.310 nan 0.000 0.459 1021 Y N 2.816 123.270 120.300 0.258 0.000 2.114 1021 Y HA -0.071 4.480 4.550 0.002 0.000 0.284 1021 Y C 2.667 178.601 175.900 0.055 0.000 1.143 1021 Y CA 1.970 60.112 58.100 0.070 0.000 1.135 1021 Y CB -1.120 37.357 38.460 0.028 0.000 0.980 1021 Y HN 0.283 nan 8.280 nan 0.000 0.499 1022 T N 0.769 115.335 114.554 0.020 0.000 2.665 1022 T HA -0.246 4.105 4.350 0.001 0.000 0.268 1022 T C 1.596 176.231 174.700 -0.110 0.000 1.035 1022 T CA 2.035 64.082 62.100 -0.088 0.000 1.151 1022 T CB -0.519 68.364 68.868 0.026 0.000 0.862 1022 T HN 0.524 nan 8.240 nan 0.000 0.438 1023 N N 0.045 118.745 118.700 -0.001 0.000 2.188 1023 N HA -0.057 4.684 4.740 0.001 0.000 0.184 1023 N C 1.654 177.174 175.510 0.016 0.000 1.018 1023 N CA 0.860 53.926 53.050 0.026 0.000 0.858 1023 N CB -0.226 38.314 38.487 0.089 0.000 0.989 1023 N HN 0.271 nan 8.380 nan 0.000 0.426 1024 F N 2.537 122.401 119.950 -0.143 0.000 2.051 1024 F HA -0.127 4.400 4.527 0.001 0.000 0.296 1024 F C 1.969 177.609 175.800 -0.267 0.000 1.122 1024 F CA 1.160 59.045 58.000 -0.191 0.000 1.201 1024 F CB -0.442 38.350 39.000 -0.347 0.000 0.978 1024 F HN -0.098 nan 8.300 nan 0.000 0.472 1025 I N 0.891 120.975 120.570 -0.810 0.000 2.264 1025 I HA -0.257 3.914 4.170 0.001 0.000 0.248 1025 I C 2.475 178.326 176.117 -0.442 0.000 1.111 1025 I CA 1.412 62.236 61.300 -0.792 0.000 1.382 1025 I CB -1.385 36.209 38.000 -0.677 0.000 1.060 1025 I HN 0.262 nan 8.210 nan 0.000 0.418 1026 R N 0.596 120.928 120.500 -0.280 0.000 2.090 1026 R HA -0.016 4.325 4.340 0.001 0.000 0.228 1026 R C 2.371 178.612 176.300 -0.097 0.000 1.110 1026 R CA 1.277 57.291 56.100 -0.144 0.000 0.973 1026 R CB -0.321 29.932 30.300 -0.079 0.000 0.869 1026 R HN 0.330 nan 8.270 nan 0.000 0.440 1027 A N 0.782 123.540 122.820 -0.104 0.000 1.930 1027 A HA -0.090 4.231 4.320 0.001 0.000 0.217 1027 A C 2.309 179.886 177.584 -0.012 0.000 1.175 1027 A CA 1.175 53.216 52.037 0.006 0.000 0.627 1027 A CB -0.370 18.635 19.000 0.008 0.000 0.815 1027 A HN 0.093 nan 8.150 nan 0.000 0.443 1028 V N -0.088 119.673 119.914 -0.255 0.000 2.307 1028 V HA -0.252 3.869 4.120 0.001 0.000 0.245 1028 V C 2.615 178.654 176.094 -0.091 0.000 1.045 1028 V CA 2.204 64.347 62.300 -0.262 0.000 1.024 1028 V CB -0.810 30.706 31.823 -0.513 0.000 0.651 1028 V HN 0.521 nan 8.190 nan 0.000 0.449 1029 R N 0.129 120.561 120.500 -0.113 0.000 2.081 1029 R HA -0.164 4.177 4.340 0.001 0.000 0.235 1029 R C 2.684 178.989 176.300 0.009 0.000 1.131 1029 R CA 1.608 57.677 56.100 -0.051 0.000 0.960 1029 R CB -0.657 29.604 30.300 -0.065 0.000 0.856 1029 R HN 0.529 nan 8.270 nan 0.000 0.436 1030 S N 0.291 116.015 115.700 0.040 0.000 2.374 1030 S HA -0.216 4.255 4.470 0.001 0.000 0.227 1030 S C 1.510 176.106 174.600 -0.006 0.000 1.037 1030 S CA 1.621 59.841 58.200 0.033 0.000 1.024 1030 S CB -0.183 63.059 63.200 0.070 0.000 0.861 1030 S HN 0.448 nan 8.310 nan 0.000 0.456 1031 H N 0.096 119.149 119.070 -0.029 0.000 2.551 1031 H HA 0.367 4.924 4.556 0.002 0.000 0.266 1031 H C 1.336 176.655 175.328 -0.014 0.000 0.977 1031 H CA 0.642 56.684 56.048 -0.010 0.000 1.163 1031 H CB -0.008 29.756 29.762 0.004 0.000 1.381 1031 H HN 0.350 nan 8.280 nan 0.000 0.581 1032 L N -0.220 121.050 121.223 0.078 0.000 2.640 1032 L HA 0.118 4.459 4.340 0.001 0.000 0.230 1032 L C 1.119 178.001 176.870 0.020 0.000 1.123 1032 L CA 0.754 55.617 54.840 0.038 0.000 0.900 1032 L CB 0.369 42.443 42.059 0.025 0.000 1.146 1032 L HN 0.293 nan 8.230 nan 0.000 0.484 1033 T N -7.596 106.963 114.554 0.007 0.000 3.058 1033 T HA 0.018 4.368 4.350 0.001 0.000 0.278 1033 T C 1.462 176.151 174.700 -0.018 0.000 0.974 1033 T CA 0.266 62.366 62.100 -0.000 0.000 0.893 1033 T CB 0.061 68.931 68.868 0.003 0.000 1.138 1033 T HN -0.037 nan 8.240 nan 0.000 0.529 1034 T N 2.132 116.664 114.554 -0.037 0.000 2.751 1034 T HA -0.134 4.217 4.350 0.001 0.000 0.268 1034 T C 2.251 176.932 174.700 -0.033 0.000 1.045 1034 T CA 1.757 63.827 62.100 -0.050 0.000 1.142 1034 T CB -1.053 67.776 68.868 -0.065 0.000 0.851 1034 T HN 0.646 nan 8.240 nan 0.000 0.474 1035 G N 1.462 110.246 108.800 -0.026 0.000 2.517 1035 G HA2 0.021 3.982 3.960 0.001 0.000 0.222 1035 G HA3 0.021 3.982 3.960 0.001 0.000 0.222 1035 G C 0.876 175.767 174.900 -0.014 0.000 1.109 1035 G CA 0.711 45.796 45.100 -0.025 0.000 0.746 1035 G HN 1.169 nan 8.290 nan 0.000 0.576 1036 A N -0.280 122.536 122.820 -0.007 0.000 2.416 1036 A HA -0.114 4.207 4.320 0.001 0.000 0.293 1036 A C 0.158 177.749 177.584 0.012 0.000 1.452 1036 A CA 1.178 53.215 52.037 0.000 0.000 0.738 1036 A CB -1.785 17.211 19.000 -0.006 0.000 1.123 1036 A HN 0.663 nan 8.150 nan 0.000 0.389 1037 D N 0.317 120.731 120.400 0.024 0.000 2.408 1037 D HA 0.532 5.173 4.640 0.001 0.000 0.261 1037 D C -0.359 175.969 176.300 0.045 0.000 1.190 1037 D CA -0.113 53.912 54.000 0.042 0.000 0.910 1037 D CB 1.139 41.979 40.800 0.066 0.000 1.097 1037 D HN 0.362 nan 8.370 nan 0.000 0.522 1038 V N 3.614 123.552 119.914 0.040 0.000 2.713 1038 V HA 0.670 4.791 4.120 0.001 0.000 0.307 1038 V C 0.198 176.328 176.094 0.061 0.000 1.052 1038 V CA -0.748 61.578 62.300 0.044 0.000 0.967 1038 V CB 1.807 33.651 31.823 0.036 0.000 1.019 1038 V HN 0.392 nan 8.190 nan 0.000 0.459 1039 R N 1.530 122.079 120.500 0.081 0.000 2.512 1039 R HA 0.531 4.872 4.340 0.001 0.000 0.291 1039 R C -0.846 175.612 176.300 0.263 0.000 1.097 1039 R CA -0.790 55.404 56.100 0.157 0.000 0.940 1039 R CB 0.746 31.096 30.300 0.085 0.000 1.198 1039 R HN 0.893 nan 8.270 nan 0.000 0.429 1040 H N 1.434 120.504 119.070 0.001 0.000 2.839 1040 H HA -0.178 4.379 4.556 0.001 0.000 0.298 1040 H C -0.222 175.112 175.328 0.009 0.000 1.224 1040 H CA 1.103 57.153 56.048 0.003 0.000 1.144 1040 H CB -1.514 28.252 29.762 0.007 0.000 1.372 1040 H HN 0.958 nan 8.280 nan 0.000 0.408 1041 E N -2.536 117.719 120.200 0.091 0.000 3.799 1041 E HA -0.249 4.102 4.350 0.001 0.000 0.320 1041 E C -0.253 176.385 176.600 0.063 0.000 0.760 1041 E CA 1.171 57.606 56.400 0.059 0.000 1.153 1041 E CB -0.921 28.805 29.700 0.044 0.000 1.589 1041 E HN 0.621 nan 8.360 nan 0.000 0.448 1042 I N 0.981 121.597 120.570 0.077 0.000 2.354 1042 I HA 0.310 4.480 4.170 0.001 0.000 0.292 1042 I C -2.361 173.780 176.117 0.039 0.000 0.989 1042 I CA -2.322 59.010 61.300 0.054 0.000 1.188 1042 I CB 1.194 39.221 38.000 0.046 0.000 1.342 1042 I HN -0.262 nan 8.210 nan 0.000 0.457 1043 P HA 0.132 nan 4.420 nan 0.000 0.271 1043 P C -0.790 176.530 177.300 0.033 0.000 1.218 1043 P CA -0.196 62.923 63.100 0.033 0.000 0.780 1043 P CB 0.858 32.576 31.700 0.029 0.000 0.901 1044 V N 4.585 124.524 119.914 0.041 0.000 2.417 1044 V HA 0.239 4.360 4.120 0.001 0.000 0.291 1044 V C 0.417 176.559 176.094 0.079 0.000 1.024 1044 V CA -0.686 61.646 62.300 0.053 0.000 0.861 1044 V CB 1.134 33.000 31.823 0.071 0.000 0.985 1044 V HN 0.394 nan 8.190 nan 0.000 0.436 1045 L N 6.583 127.863 121.223 0.096 0.000 2.483 1045 L HA 0.232 4.573 4.340 0.001 0.000 0.276 1045 L C -2.067 174.841 176.870 0.062 0.000 1.213 1045 L CA -1.343 53.552 54.840 0.092 0.000 0.843 1045 L CB 0.050 42.196 42.059 0.145 0.000 1.107 1045 L HN 0.411 nan 8.230 nan 0.000 0.487 1046 P HA -0.094 nan 4.420 nan 0.000 0.266 1046 P C -0.796 176.426 177.300 -0.130 0.000 1.186 1046 P CA 0.079 63.131 63.100 -0.080 0.000 0.767 1046 P CB 0.310 31.960 31.700 -0.083 0.000 0.820 1047 N N 2.071 120.579 118.700 -0.320 0.000 2.470 1047 N HA 0.012 4.753 4.740 0.001 0.000 0.268 1047 N C 1.283 176.656 175.510 -0.228 0.000 1.136 1047 N CA -0.007 52.779 53.050 -0.441 0.000 0.961 1047 N CB 0.295 38.203 38.487 -0.966 0.000 1.067 1047 N HN 0.256 nan 8.380 nan 0.000 0.468 1048 R N 3.227 123.653 120.500 -0.123 0.000 2.088 1048 R HA -0.072 4.269 4.340 0.001 0.000 0.232 1048 R C -0.207 176.025 176.300 -0.113 0.000 1.136 1048 R CA 1.174 57.212 56.100 -0.102 0.000 0.926 1048 R CB -0.672 29.596 30.300 -0.054 0.000 0.837 1048 R HN 0.460 nan 8.270 nan 0.000 0.429 1049 V N 1.881 121.740 119.914 -0.091 0.000 2.555 1049 V HA 0.025 4.146 4.120 0.001 0.000 0.299 1049 V C 1.258 177.288 176.094 -0.106 0.000 1.012 1049 V CA 1.321 63.573 62.300 -0.080 0.000 1.180 1049 V CB 0.082 31.875 31.823 -0.050 0.000 0.887 1049 V HN 0.847 nan 8.190 nan 0.000 0.476 1050 G N 3.634 112.381 108.800 -0.088 0.000 2.148 1050 G HA2 -0.238 3.723 3.960 0.001 0.000 0.254 1050 G HA3 -0.238 3.723 3.960 0.001 0.000 0.254 1050 G C -0.197 174.642 174.900 -0.102 0.000 0.981 1050 G CA 0.165 45.212 45.100 -0.087 0.000 0.670 1050 G HN 0.835 nan 8.290 nan 0.000 0.528 1051 L N 2.920 124.071 121.223 -0.119 0.000 2.315 1051 L HA 0.547 4.887 4.340 0.001 0.000 0.283 1051 L C -1.291 175.507 176.870 -0.120 0.000 1.089 1051 L CA -2.482 52.281 54.840 -0.128 0.000 0.833 1051 L CB 0.260 42.225 42.059 -0.155 0.000 1.170 1051 L HN 0.048 nan 8.230 nan 0.000 0.442 1052 P HA -0.046 nan 4.420 nan 0.000 0.263 1052 P C 1.143 178.387 177.300 -0.093 0.000 1.195 1052 P CA -0.161 62.890 63.100 -0.081 0.000 0.762 1052 P CB 0.753 32.421 31.700 -0.053 0.000 0.799 1053 I N 4.364 124.861 120.570 -0.121 0.000 2.181 1053 I HA -0.372 3.799 4.170 0.001 0.000 0.247 1053 I C 2.261 178.393 176.117 0.025 0.000 1.081 1053 I CA 2.475 63.685 61.300 -0.150 0.000 1.340 1053 I CB -0.779 37.023 38.000 -0.330 0.000 1.036 1053 I HN 0.478 nan 8.210 nan 0.000 0.417 1054 S N 0.445 116.164 115.700 0.032 0.000 2.407 1054 S HA -0.289 4.182 4.470 0.001 0.000 0.235 1054 S C 1.383 176.118 174.600 0.226 0.000 1.036 1054 S CA 1.468 59.730 58.200 0.103 0.000 1.013 1054 S CB -0.832 62.383 63.200 0.025 0.000 0.820 1054 S HN 0.813 nan 8.310 nan 0.000 0.476 1055 Q N -0.604 119.257 119.800 0.101 0.000 2.233 1055 Q HA 0.497 4.837 4.340 0.001 0.000 0.340 1055 Q C 0.886 176.835 176.000 -0.085 0.000 0.899 1055 Q CA -0.624 55.218 55.803 0.064 0.000 1.139 1055 Q CB 0.415 29.163 28.738 0.016 0.000 1.273 1055 Q HN 0.272 nan 8.270 nan 0.000 0.431 1056 R N 0.306 120.684 120.500 -0.204 0.000 2.265 1056 R HA 0.314 4.655 4.340 0.001 0.000 0.194 1056 R C -0.889 174.823 176.300 -0.981 0.000 0.931 1056 R CA 0.611 56.360 56.100 -0.585 0.000 1.032 1056 R CB 0.478 30.349 30.300 -0.716 0.000 0.980 1056 R HN 0.201 nan 8.270 nan 0.000 0.497 1057 F N -0.334 119.314 119.950 -0.504 0.000 2.613 1057 F HA 0.487 5.015 4.527 0.001 0.000 0.314 1057 F C -0.210 175.321 175.800 -0.447 0.000 1.075 1057 F CA -1.504 56.136 58.000 -0.601 0.000 0.945 1057 F CB 1.615 40.019 39.000 -0.993 0.000 1.310 1057 F HN -0.149 nan 8.300 nan 0.000 0.467 1058 I N 0.033 120.609 120.570 0.009 0.000 2.769 1058 I HA 0.696 4.867 4.170 0.001 0.000 0.298 1058 I C -1.910 174.257 176.117 0.084 0.000 1.128 1058 I CA -1.110 60.233 61.300 0.070 0.000 1.031 1058 I CB 2.115 40.161 38.000 0.077 0.000 1.235 1058 I HN 0.177 nan 8.210 nan 0.000 0.423 1059 L N 5.270 126.566 121.223 0.122 0.000 2.317 1059 L HA 0.619 4.960 4.340 0.001 0.000 0.281 1059 L C -0.107 176.843 176.870 0.133 0.000 1.024 1059 L CA -0.852 54.075 54.840 0.146 0.000 0.810 1059 L CB 1.704 43.887 42.059 0.207 0.000 1.240 1059 L HN 0.597 nan 8.230 nan 0.000 0.427 1060 V N 0.074 120.080 119.914 0.154 0.000 2.334 1060 V HA 0.552 4.673 4.120 0.001 0.000 0.281 1060 V C -0.093 176.082 176.094 0.134 0.000 1.016 1060 V CA -0.749 61.668 62.300 0.195 0.000 0.832 1060 V CB 1.279 33.278 31.823 0.294 0.000 0.999 1060 V HN 0.867 nan 8.190 nan 0.000 0.439 1061 E N 5.229 125.489 120.200 0.100 0.000 2.229 1061 E HA 0.543 4.894 4.350 0.001 0.000 0.283 1061 E C -1.203 175.396 176.600 -0.002 0.000 1.030 1061 E CA -0.610 55.813 56.400 0.038 0.000 0.836 1061 E CB 1.178 30.893 29.700 0.026 0.000 1.068 1061 E HN 0.864 nan 8.360 nan 0.000 0.401 1062 L N 3.463 124.670 121.223 -0.027 0.000 2.333 1062 L HA 0.446 4.787 4.340 0.001 0.000 0.280 1062 L C -0.337 176.467 176.870 -0.111 0.000 1.004 1062 L CA -0.740 54.062 54.840 -0.063 0.000 0.820 1062 L CB 1.905 43.957 42.059 -0.012 0.000 1.247 1062 L HN 0.460 nan 8.230 nan 0.000 0.416 1063 S N 1.863 117.458 115.700 -0.175 0.000 2.689 1063 S HA 0.724 5.195 4.470 0.001 0.000 0.306 1063 S C -0.799 173.681 174.600 -0.200 0.000 1.104 1063 S CA -0.837 57.254 58.200 -0.182 0.000 0.973 1063 S CB 2.122 65.217 63.200 -0.176 0.000 1.121 1063 S HN 0.810 nan 8.310 nan 0.000 0.523 1064 N N -0.806 117.796 118.700 -0.163 0.000 3.316 1064 N HA 0.252 4.993 4.740 0.001 0.000 0.300 1064 N C 0.350 175.832 175.510 -0.046 0.000 1.567 1064 N CA -0.823 52.156 53.050 -0.118 0.000 0.821 1064 N CB -0.159 38.277 38.487 -0.085 0.000 1.748 1064 N HN 0.714 nan 8.380 nan 0.000 0.603 1065 H N -0.667 118.333 119.070 -0.118 0.000 2.390 1065 H HA -0.038 4.519 4.556 0.001 0.000 0.298 1065 H C 0.901 176.178 175.328 -0.083 0.000 1.106 1065 H CA 1.527 57.520 56.048 -0.092 0.000 1.297 1065 H CB 0.091 29.812 29.762 -0.067 0.000 1.375 1065 H HN 0.663 nan 8.280 nan 0.000 0.509 1066 A N 0.875 123.619 122.820 -0.127 0.000 2.281 1066 A HA 0.025 4.346 4.320 0.001 0.000 0.231 1066 A C 0.273 177.754 177.584 -0.171 0.000 1.317 1066 A CA 0.401 52.321 52.037 -0.194 0.000 0.959 1066 A CB -0.599 18.323 19.000 -0.130 0.000 0.900 1066 A HN 0.686 nan 8.150 nan 0.000 0.497 1067 E N -0.885 119.230 120.200 -0.143 0.000 2.238 1067 E HA -0.210 4.141 4.350 0.001 0.000 0.219 1067 E C -0.575 175.884 176.600 -0.235 0.000 1.275 1067 E CA 0.470 56.779 56.400 -0.151 0.000 0.714 1067 E CB -1.588 28.042 29.700 -0.117 0.000 1.154 1067 E HN 0.684 nan 8.360 nan 0.000 0.363 1068 L N -0.005 121.039 121.223 -0.299 0.000 2.334 1068 L HA 0.596 4.937 4.340 0.001 0.000 0.270 1068 L C 0.330 176.991 176.870 -0.348 0.000 1.018 1068 L CA -0.806 53.727 54.840 -0.511 0.000 0.811 1068 L CB 1.972 43.648 42.059 -0.637 0.000 1.271 1068 L HN -0.080 nan 8.230 nan 0.000 0.443 1069 S N 0.904 116.403 115.700 -0.336 0.000 2.614 1069 S HA 0.606 5.077 4.470 0.001 0.000 0.275 1069 S C -0.800 173.793 174.600 -0.011 0.000 1.161 1069 S CA -0.655 57.465 58.200 -0.134 0.000 0.969 1069 S CB 2.203 65.346 63.200 -0.097 0.000 1.059 1069 S HN 0.438 nan 8.310 nan 0.000 0.482 1070 V N 0.350 120.244 119.914 -0.033 0.000 2.960 1070 V HA 0.921 5.042 4.120 0.001 0.000 0.315 1070 V C -0.652 175.394 176.094 -0.081 0.000 1.087 1070 V CA -0.577 61.691 62.300 -0.054 0.000 0.982 1070 V CB 2.019 33.806 31.823 -0.060 0.000 1.039 1070 V HN 0.699 nan 8.190 nan 0.000 0.437 1071 T N 4.662 119.127 114.554 -0.148 0.000 2.864 1071 T HA 0.588 4.939 4.350 0.001 0.000 0.299 1071 T C -0.390 174.302 174.700 -0.014 0.000 1.011 1071 T CA -0.255 61.809 62.100 -0.060 0.000 0.975 1071 T CB 0.739 69.571 68.868 -0.059 0.000 0.962 1071 T HN 0.674 nan 8.240 nan 0.000 0.448 1072 L N 2.451 123.714 121.223 0.067 0.000 2.350 1072 L HA 0.730 5.070 4.340 0.001 0.000 0.275 1072 L C 0.614 177.574 176.870 0.150 0.000 1.099 1072 L CA -0.951 53.950 54.840 0.102 0.000 0.808 1072 L CB 0.808 42.944 42.059 0.128 0.000 1.149 1072 L HN 0.614 nan 8.230 nan 0.000 0.442 1073 A N 4.860 127.747 122.820 0.111 0.000 2.292 1073 A HA 0.767 5.088 4.320 0.001 0.000 0.319 1073 A C -0.597 177.028 177.584 0.068 0.000 1.206 1073 A CA -0.502 51.541 52.037 0.010 0.000 0.835 1073 A CB 0.591 19.439 19.000 -0.253 0.000 1.164 1073 A HN 0.636 nan 8.150 nan 0.000 0.505 1074 L N 1.734 123.030 121.223 0.123 0.000 2.346 1074 L HA 0.399 4.740 4.340 0.001 0.000 0.274 1074 L C -0.640 176.402 176.870 0.287 0.000 1.007 1074 L CA -1.038 53.905 54.840 0.173 0.000 0.818 1074 L CB 1.917 44.034 42.059 0.096 0.000 1.284 1074 L HN 0.617 nan 8.230 nan 0.000 0.424 1075 D N 1.527 122.082 120.400 0.257 0.000 2.336 1075 D HA 0.101 4.742 4.640 0.001 0.000 0.249 1075 D C 0.971 177.274 176.300 0.006 0.000 1.213 1075 D CA -0.128 53.943 54.000 0.117 0.000 0.870 1075 D CB 1.913 42.788 40.800 0.124 0.000 1.076 1075 D HN 0.248 nan 8.370 nan 0.000 0.483 1076 V N 3.704 123.559 119.914 -0.098 0.000 2.660 1076 V HA -0.245 3.875 4.120 0.001 0.000 0.257 1076 V C 2.411 178.492 176.094 -0.022 0.000 1.088 1076 V CA 1.766 64.030 62.300 -0.059 0.000 1.106 1076 V CB -0.541 31.217 31.823 -0.108 0.000 0.686 1076 V HN 0.610 nan 8.190 nan 0.000 0.481 1077 T N 1.198 115.724 114.554 -0.045 0.000 2.867 1077 T HA -0.099 4.252 4.350 0.001 0.000 0.268 1077 T C 1.382 176.160 174.700 0.131 0.000 1.057 1077 T CA 1.726 63.832 62.100 0.010 0.000 1.136 1077 T CB -0.226 68.620 68.868 -0.037 0.000 0.874 1077 T HN 0.803 nan 8.240 nan 0.000 0.466 1078 N N -0.933 117.858 118.700 0.151 0.000 2.142 1078 N HA 0.341 5.082 4.740 0.001 0.000 0.233 1078 N C 0.673 176.214 175.510 0.052 0.000 1.335 1078 N CA 0.682 53.892 53.050 0.267 0.000 0.837 1078 N CB -0.003 38.656 38.487 0.286 0.000 1.238 1078 N HN 0.221 nan 8.380 nan 0.000 0.501 1079 A N -0.580 122.268 122.820 0.047 0.000 3.132 1079 A HA -0.290 4.031 4.320 0.001 0.000 0.266 1079 A C -0.251 177.339 177.584 0.009 0.000 1.216 1079 A CA 1.049 53.076 52.037 -0.016 0.000 0.985 1079 A CB -2.756 16.170 19.000 -0.122 0.000 1.102 1079 A HN 0.583 nan 8.150 nan 0.000 0.833 1080 Y N -0.653 119.603 120.300 -0.073 0.000 2.307 1080 Y HA 0.466 5.017 4.550 0.001 0.000 0.324 1080 Y C 0.715 176.635 175.900 0.033 0.000 1.238 1080 Y CA 0.230 58.295 58.100 -0.058 0.000 1.280 1080 Y CB 1.121 39.526 38.460 -0.092 0.000 1.248 1080 Y HN 0.229 nan 8.280 nan 0.000 0.508 1081 V N 6.255 126.114 119.914 -0.092 0.000 2.508 1081 V HA 0.036 4.157 4.120 0.001 0.000 0.281 1081 V C 0.728 177.013 176.094 0.318 0.000 1.041 1081 V CA 0.316 62.676 62.300 0.101 0.000 1.016 1081 V CB 0.559 32.442 31.823 0.099 0.000 0.984 1081 V HN 0.825 nan 8.190 nan 0.000 0.478 1082 V N 2.170 122.255 119.914 0.286 0.000 3.085 1082 V HA 0.665 4.786 4.120 0.001 0.000 0.245 1082 V C 0.782 177.030 176.094 0.256 0.000 1.114 1082 V CA 1.105 63.621 62.300 0.361 0.000 1.108 1082 V CB 0.031 32.029 31.823 0.292 0.000 0.798 1082 V HN 0.916 nan 8.190 nan 0.000 0.471 1083 G N -1.588 107.210 108.800 -0.003 0.000 2.663 1083 G HA2 0.549 4.510 3.960 0.001 0.000 0.299 1083 G HA3 0.549 4.510 3.960 0.001 0.000 0.299 1083 G C -1.786 172.935 174.900 -0.299 0.000 1.372 1083 G CA 0.022 44.887 45.100 -0.391 0.000 0.781 1083 G HN 0.830 nan 8.290 nan 0.000 0.491 1084 C N 0.237 119.198 119.300 -0.566 0.000 2.985 1084 C HA 0.872 5.333 4.460 0.001 0.000 0.332 1084 C C -0.896 173.554 174.990 -0.900 0.000 1.164 1084 C CA -0.835 57.886 59.018 -0.495 0.000 1.347 1084 C CB 1.670 29.174 27.740 -0.393 0.000 1.764 1084 C HN 0.976 nan 8.230 nan 0.000 0.489 1085 R N 4.110 124.070 120.500 -0.900 0.000 2.409 1085 R HA 0.672 5.013 4.340 0.001 0.000 0.313 1085 R C -0.767 175.202 176.300 -0.551 0.000 0.953 1085 R CA 0.009 55.493 56.100 -1.027 0.000 0.849 1085 R CB 1.412 30.606 30.300 -1.843 0.000 1.171 1085 R HN 1.068 nan 8.270 nan 0.000 0.458 1086 A N 3.653 126.263 122.820 -0.350 0.000 2.690 1086 A HA 0.540 4.861 4.320 0.001 0.000 0.342 1086 A C 0.939 178.350 177.584 -0.289 0.000 1.410 1086 A CA 0.239 52.145 52.037 -0.218 0.000 0.958 1086 A CB 0.082 19.012 19.000 -0.117 0.000 1.153 1086 A HN 1.128 nan 8.150 nan 0.000 0.497 1087 G N 2.946 111.650 108.800 -0.160 0.000 2.889 1087 G HA2 -0.395 3.565 3.960 0.001 0.000 0.308 1087 G HA3 -0.395 3.565 3.960 0.001 0.000 0.308 1087 G C 0.459 175.294 174.900 -0.108 0.000 1.248 1087 G CA 0.838 45.881 45.100 -0.095 0.000 0.982 1087 G HN 1.700 nan 8.290 nan 0.000 0.571 1088 N N 0.374 119.013 118.700 -0.102 0.000 2.389 1088 N HA 0.549 5.290 4.740 0.001 0.000 0.260 1088 N C -0.128 175.371 175.510 -0.018 0.000 1.191 1088 N CA 0.864 53.886 53.050 -0.046 0.000 0.885 1088 N CB 1.264 39.740 38.487 -0.018 0.000 1.162 1088 N HN 0.774 nan 8.380 nan 0.000 0.512 1089 S N -0.402 115.274 115.700 -0.040 0.000 2.595 1089 S HA 0.864 5.334 4.470 0.001 0.000 0.281 1089 S C -1.798 172.780 174.600 -0.037 0.000 1.117 1089 S CA -0.536 57.709 58.200 0.075 0.000 0.873 1089 S CB 1.346 64.644 63.200 0.162 0.000 1.108 1089 S HN 0.505 nan 8.310 nan 0.000 0.477 1090 A N 2.613 125.434 122.820 0.002 0.000 2.485 1090 A HA 0.637 4.958 4.320 0.001 0.000 0.285 1090 A C -1.737 175.592 177.584 -0.426 0.000 1.045 1090 A CA -0.657 51.210 52.037 -0.283 0.000 0.792 1090 A CB 0.390 19.339 19.000 -0.084 0.000 1.307 1090 A HN 1.136 nan 8.150 nan 0.000 0.406 1091 Y N 0.094 119.946 120.300 -0.746 0.000 2.499 1091 Y HA 0.922 5.473 4.550 0.002 0.000 0.347 1091 Y C -1.023 174.434 175.900 -0.739 0.000 0.987 1091 Y CA -2.438 55.080 58.100 -0.970 0.000 1.044 1091 Y CB 0.801 38.621 38.460 -1.066 0.000 1.245 1091 Y HN 0.407 nan 8.280 nan 0.000 0.461 1092 F N 0.703 120.453 119.950 -0.333 0.000 2.611 1092 F HA 0.652 5.179 4.527 0.001 0.000 0.324 1092 F C -0.613 175.099 175.800 -0.146 0.000 1.061 1092 F CA -1.396 56.462 58.000 -0.236 0.000 0.954 1092 F CB 1.154 40.069 39.000 -0.142 0.000 1.301 1092 F HN 0.328 nan 8.300 nan 0.000 0.482 1093 F N -0.364 119.708 119.950 0.203 0.000 2.378 1093 F HA 0.252 4.779 4.527 0.001 0.000 0.319 1093 F C 0.482 176.383 175.800 0.168 0.000 1.155 1093 F CA -0.465 57.631 58.000 0.159 0.000 1.157 1093 F CB 0.263 39.310 39.000 0.079 0.000 1.252 1093 F HN 0.364 nan 8.300 nan 0.000 0.550 1094 H N 2.742 121.975 119.070 0.271 0.000 2.864 1094 H HA 0.305 4.862 4.556 0.001 0.000 0.281 1094 H C -2.486 172.921 175.328 0.131 0.000 1.093 1094 H CA -2.653 53.480 56.048 0.142 0.000 1.453 1094 H CB 0.359 30.177 29.762 0.094 0.000 1.462 1094 H HN 0.151 nan 8.280 nan 0.000 0.480 1095 P HA -0.047 nan 4.420 nan 0.000 0.267 1095 P C 0.267 177.342 177.300 -0.376 0.000 1.200 1095 P CA 0.158 63.127 63.100 -0.217 0.000 0.772 1095 P CB 0.699 32.322 31.700 -0.127 0.000 0.855 1096 D N 0.842 121.127 120.400 -0.191 0.000 2.340 1096 D HA 0.021 4.662 4.640 0.001 0.000 0.220 1096 D C 0.122 176.357 176.300 -0.109 0.000 1.039 1096 D CA 0.816 54.726 54.000 -0.150 0.000 0.866 1096 D CB -0.093 40.648 40.800 -0.098 0.000 0.913 1096 D HN 0.549 nan 8.370 nan 0.000 0.523 1097 N N -1.896 116.740 118.700 -0.108 0.000 3.043 1097 N HA -0.055 4.686 4.740 0.001 0.000 0.243 1097 N C 0.213 175.697 175.510 -0.044 0.000 1.347 1097 N CA -0.666 52.348 53.050 -0.059 0.000 0.896 1097 N CB 1.214 39.677 38.487 -0.040 0.000 1.501 1097 N HN -0.323 nan 8.380 nan 0.000 0.504 1098 Q N -0.298 119.490 119.800 -0.020 0.000 2.152 1098 Q HA -0.238 4.103 4.340 0.001 0.000 0.206 1098 Q C 0.610 176.609 176.000 -0.003 0.000 0.985 1098 Q CA 1.882 57.682 55.803 -0.006 0.000 0.863 1098 Q CB 0.030 28.770 28.738 0.003 0.000 0.904 1098 Q HN 0.646 nan 8.270 nan 0.000 0.422 1099 E N 1.017 121.212 120.200 -0.008 0.000 2.023 1099 E HA -0.207 4.144 4.350 0.001 0.000 0.196 1099 E C 1.715 178.317 176.600 0.003 0.000 1.003 1099 E CA 1.553 57.949 56.400 -0.007 0.000 0.809 1099 E CB -0.366 29.323 29.700 -0.018 0.000 0.755 1099 E HN 0.560 nan 8.360 nan 0.000 0.449 1100 D N 0.780 121.180 120.400 0.001 0.000 2.123 1100 D HA -0.025 4.615 4.640 0.001 0.000 0.200 1100 D C 1.941 178.269 176.300 0.046 0.000 0.976 1100 D CA 1.222 55.241 54.000 0.032 0.000 0.831 1100 D CB -0.349 40.467 40.800 0.026 0.000 0.974 1100 D HN 0.138 nan 8.370 nan 0.000 0.469 1101 A N 1.516 124.338 122.820 0.004 0.000 1.927 1101 A HA -0.263 4.058 4.320 0.001 0.000 0.220 1101 A C 2.135 179.721 177.584 0.003 0.000 1.185 1101 A CA 1.811 53.842 52.037 -0.010 0.000 0.639 1101 A CB -0.470 18.521 19.000 -0.015 0.000 0.820 1101 A HN 0.109 nan 8.150 nan 0.000 0.451 1102 E N 0.105 120.327 120.200 0.037 0.000 2.072 1102 E HA -0.086 4.265 4.350 0.001 0.000 0.190 1102 E C 2.267 178.984 176.600 0.194 0.000 0.982 1102 E CA 1.268 57.715 56.400 0.078 0.000 0.803 1102 E CB -0.420 29.329 29.700 0.082 0.000 0.755 1102 E HN 0.472 nan 8.360 nan 0.000 0.453 1103 A N 2.071 125.004 122.820 0.188 0.000 1.877 1103 A HA -0.166 4.154 4.320 0.001 0.000 0.216 1103 A C 2.385 180.207 177.584 0.396 0.000 1.186 1103 A CA 1.773 53.989 52.037 0.299 0.000 0.620 1103 A CB -1.059 18.051 19.000 0.184 0.000 0.822 1103 A HN 0.494 nan 8.150 nan 0.000 0.443 1104 I N -1.344 119.324 120.570 0.163 0.000 2.657 1104 I HA -0.134 4.037 4.170 0.001 0.000 0.261 1104 I C 1.769 177.616 176.117 -0.451 0.000 1.212 1104 I CA 1.849 63.036 61.300 -0.188 0.000 1.453 1104 I CB -0.911 36.929 38.000 -0.267 0.000 1.092 1104 I HN 0.328 nan 8.210 nan 0.000 0.452 1105 T N -3.060 111.355 114.554 -0.231 0.000 3.317 1105 T HA 0.097 4.448 4.350 0.001 0.000 0.250 1105 T C 1.068 175.603 174.700 -0.274 0.000 1.106 1105 T CA 0.143 62.055 62.100 -0.313 0.000 0.986 1105 T CB -0.681 68.043 68.868 -0.240 0.000 1.010 1105 T HN 0.566 nan 8.240 nan 0.000 0.560 1106 H N -0.724 118.290 119.070 -0.094 0.000 2.893 1106 H HA 0.397 4.954 4.556 0.001 0.000 0.270 1106 H C 1.383 176.723 175.328 0.019 0.000 1.095 1106 H CA -0.250 55.813 56.048 0.024 0.000 1.186 1106 H CB 0.686 30.557 29.762 0.181 0.000 1.562 1106 H HN 0.329 nan 8.280 nan 0.000 0.536 1107 L N -0.013 121.177 121.223 -0.055 0.000 1.932 1107 L HA -0.023 4.318 4.340 0.001 0.000 0.213 1107 L C 0.147 176.843 176.870 -0.289 0.000 1.108 1107 L CA 1.125 55.796 54.840 -0.282 0.000 0.778 1107 L CB -0.176 41.568 42.059 -0.525 0.000 0.891 1107 L HN 0.021 nan 8.230 nan 0.000 0.436 1108 F N 0.177 120.287 119.950 0.267 0.000 2.329 1108 F HA 0.167 4.695 4.527 0.001 0.000 0.362 1108 F C 1.310 177.180 175.800 0.117 0.000 1.113 1108 F CA -0.687 57.407 58.000 0.157 0.000 1.212 1108 F CB 0.097 39.161 39.000 0.106 0.000 1.509 1108 F HN 0.079 nan 8.300 nan 0.000 0.546 1109 T N -3.323 111.338 114.554 0.178 0.000 2.937 1109 T HA -0.124 4.226 4.350 0.001 0.000 0.260 1109 T C 1.382 176.136 174.700 0.090 0.000 1.051 1109 T CA 0.982 63.136 62.100 0.091 0.000 1.141 1109 T CB -0.187 68.695 68.868 0.023 0.000 0.879 1109 T HN 0.377 nan 8.240 nan 0.000 0.459 1110 D N 1.750 122.211 120.400 0.102 0.000 2.363 1110 D HA -0.000 4.641 4.640 0.001 0.000 0.226 1110 D C 0.344 176.693 176.300 0.081 0.000 1.020 1110 D CA -0.037 54.008 54.000 0.076 0.000 0.892 1110 D CB -0.678 40.162 40.800 0.067 0.000 0.900 1110 D HN 0.360 nan 8.370 nan 0.000 0.531 1111 V N 1.841 121.824 119.914 0.114 0.000 2.389 1111 V HA 0.043 4.164 4.120 0.001 0.000 0.264 1111 V C 1.679 177.839 176.094 0.109 0.000 1.049 1111 V CA -0.440 61.921 62.300 0.103 0.000 0.932 1111 V CB 0.830 32.723 31.823 0.116 0.000 1.011 1111 V HN 0.094 nan 8.190 nan 0.000 0.475 1112 Q N 4.553 124.404 119.800 0.084 0.000 2.020 1112 Q HA -0.211 4.130 4.340 0.001 0.000 0.202 1112 Q C 1.495 177.567 176.000 0.120 0.000 0.982 1112 Q CA 1.968 57.820 55.803 0.083 0.000 0.838 1112 Q CB -0.004 28.768 28.738 0.056 0.000 0.899 1112 Q HN 0.782 nan 8.270 nan 0.000 0.423 1113 N N 1.150 119.935 118.700 0.141 0.000 2.542 1113 N HA -0.015 4.726 4.740 0.001 0.000 0.234 1113 N C -1.358 174.399 175.510 0.412 0.000 1.257 1113 N CA 0.122 53.309 53.050 0.227 0.000 0.883 1113 N CB -0.126 38.472 38.487 0.185 0.000 1.197 1113 N HN 0.229 nan 8.380 nan 0.000 0.488 1114 S N 0.300 116.188 115.700 0.313 0.000 2.499 1114 S HA 0.672 5.143 4.470 0.001 0.000 0.279 1114 S C -0.232 174.582 174.600 0.357 0.000 1.219 1114 S CA -0.722 57.651 58.200 0.288 0.000 1.062 1114 S CB 0.388 63.761 63.200 0.289 0.000 0.978 1114 S HN 0.254 nan 8.310 nan 0.000 0.489 1115 F N -1.511 118.535 119.950 0.160 0.000 2.779 1115 F HA 0.848 5.376 4.527 0.002 0.000 0.316 1115 F C -0.699 175.129 175.800 0.046 0.000 1.164 1115 F CA -0.853 57.171 58.000 0.039 0.000 0.924 1115 F CB 1.242 40.204 39.000 -0.064 0.000 1.348 1115 F HN 0.659 nan 8.300 nan 0.000 0.467 1116 T N -0.360 114.207 114.554 0.022 0.000 2.893 1116 T HA 0.698 5.049 4.350 0.001 0.000 0.293 1116 T C -0.899 173.707 174.700 -0.156 0.000 1.027 1116 T CA -0.476 61.571 62.100 -0.088 0.000 0.988 1116 T CB 0.850 69.752 68.868 0.058 0.000 1.043 1116 T HN 0.493 nan 8.240 nan 0.000 0.461 1117 F N 1.730 121.624 119.950 -0.095 0.000 2.408 1117 F HA 0.547 5.074 4.527 0.001 0.000 0.303 1117 F C 1.929 177.515 175.800 -0.356 0.000 1.268 1117 F CA -0.110 57.659 58.000 -0.385 0.000 1.218 1117 F CB 0.281 38.524 39.000 -1.262 0.000 1.283 1117 F HN 0.798 nan 8.300 nan 0.000 0.545 1118 A N 0.325 123.026 122.820 -0.198 0.000 2.147 1118 A HA 0.171 4.492 4.320 0.001 0.000 0.211 1118 A C 0.132 177.701 177.584 -0.026 0.000 1.160 1118 A CA 0.143 52.084 52.037 -0.161 0.000 0.781 1118 A CB -0.947 18.034 19.000 -0.032 0.000 0.842 1118 A HN 0.479 nan 8.150 nan 0.000 0.475 1119 F N -1.717 118.402 119.950 0.281 0.000 2.399 1119 F HA 0.760 5.288 4.527 0.001 0.000 0.328 1119 F C 0.573 176.583 175.800 0.351 0.000 1.084 1119 F CA -1.720 56.433 58.000 0.255 0.000 1.053 1119 F CB 0.142 39.243 39.000 0.169 0.000 1.209 1119 F HN 0.003 nan 8.300 nan 0.000 0.502 1120 G N -0.254 108.819 108.800 0.455 0.000 2.522 1120 G HA2 0.430 4.391 3.960 0.001 0.000 0.304 1120 G HA3 0.430 4.391 3.960 0.001 0.000 0.304 1120 G C 0.542 175.455 174.900 0.021 0.000 1.210 1120 G CA -0.674 44.583 45.100 0.262 0.000 0.960 1120 G HN 1.126 nan 8.290 nan 0.000 0.497 1121 G N -0.990 107.455 108.800 -0.591 0.000 3.181 1121 G HA2 0.097 4.058 3.960 0.001 0.000 0.219 1121 G HA3 0.097 4.058 3.960 0.001 0.000 0.219 1121 G C 0.560 175.066 174.900 -0.657 0.000 1.182 1121 G CA -0.218 43.954 45.100 -1.547 0.000 0.791 1121 G HN 0.805 nan 8.290 nan 0.000 0.537 1122 N N -1.227 117.229 118.700 -0.406 0.000 2.482 1122 N HA 0.146 4.887 4.740 0.001 0.000 0.260 1122 N C 0.640 176.029 175.510 -0.202 0.000 1.236 1122 N CA -0.632 52.204 53.050 -0.355 0.000 0.938 1122 N CB 0.684 39.028 38.487 -0.238 0.000 1.128 1122 N HN 0.020 nan 8.380 nan 0.000 0.448 1123 Y N -0.183 120.120 120.300 0.004 0.000 2.165 1123 Y HA -0.219 4.331 4.550 0.001 0.000 0.286 1123 Y C 1.746 177.643 175.900 -0.005 0.000 1.155 1123 Y CA 1.269 59.380 58.100 0.018 0.000 1.164 1123 Y CB -0.527 37.955 38.460 0.035 0.000 0.978 1123 Y HN 0.613 nan 8.280 nan 0.000 0.513 1124 D N -0.214 120.266 120.400 0.133 0.000 2.126 1124 D HA -0.228 4.412 4.640 0.001 0.000 0.190 1124 D C 2.344 178.674 176.300 0.050 0.000 1.001 1124 D CA 1.805 55.850 54.000 0.074 0.000 0.841 1124 D CB -0.201 40.625 40.800 0.043 0.000 0.949 1124 D HN 0.166 nan 8.370 nan 0.000 0.446 1125 R N 0.542 121.060 120.500 0.030 0.000 2.061 1125 R HA -0.081 4.260 4.340 0.001 0.000 0.230 1125 R C 2.295 178.583 176.300 -0.021 0.000 1.140 1125 R CA 0.941 57.053 56.100 0.019 0.000 0.940 1125 R CB -1.055 29.276 30.300 0.052 0.000 0.839 1125 R HN 0.071 nan 8.270 nan 0.000 0.429 1126 L N 1.478 122.693 121.223 -0.013 0.000 2.129 1126 L HA -0.134 4.207 4.340 0.001 0.000 0.212 1126 L C 2.023 178.910 176.870 0.029 0.000 1.087 1126 L CA 1.847 56.687 54.840 -0.001 0.000 0.757 1126 L CB -0.688 41.413 42.059 0.069 0.000 0.896 1126 L HN 0.377 nan 8.230 nan 0.000 0.434 1127 E N -1.583 118.653 120.200 0.059 0.000 2.230 1127 E HA -0.177 4.174 4.350 0.001 0.000 0.192 1127 E C 1.986 178.594 176.600 0.012 0.000 0.987 1127 E CA 0.238 56.666 56.400 0.046 0.000 0.841 1127 E CB -0.011 29.724 29.700 0.058 0.000 0.783 1127 E HN 0.464 nan 8.360 nan 0.000 0.481 1128 Q N 1.245 121.045 119.800 0.000 0.000 2.049 1128 Q HA -0.144 4.197 4.340 0.001 0.000 0.198 1128 Q C 2.190 178.168 176.000 -0.036 0.000 0.971 1128 Q CA 1.130 56.927 55.803 -0.010 0.000 0.833 1128 Q CB -0.094 28.642 28.738 -0.004 0.000 0.896 1128 Q HN 0.324 nan 8.270 nan 0.000 0.434 1129 L N -0.624 120.549 121.223 -0.084 0.000 1.994 1129 L HA -0.089 4.252 4.340 0.001 0.000 0.208 1129 L C 2.266 179.090 176.870 -0.077 0.000 1.071 1129 L CA 1.464 56.223 54.840 -0.135 0.000 0.745 1129 L CB -0.488 41.388 42.059 -0.306 0.000 0.892 1129 L HN 0.354 nan 8.230 nan 0.000 0.431 1130 G N -1.750 107.023 108.800 -0.045 0.000 3.062 1130 G HA2 0.463 4.424 3.960 0.001 0.000 0.228 1130 G HA3 0.463 4.424 3.960 0.001 0.000 0.228 1130 G C 0.507 175.411 174.900 0.007 0.000 1.094 1130 G CA 0.491 45.585 45.100 -0.010 0.000 0.782 1130 G HN 0.565 nan 8.290 nan 0.000 0.541 1131 G N -0.461 108.344 108.800 0.007 0.000 2.497 1131 G HA2 -0.065 3.896 3.960 0.001 0.000 0.686 1131 G HA3 -0.065 3.896 3.960 0.001 0.000 0.686 1131 G C -0.459 174.449 174.900 0.013 0.000 1.288 1131 G CA -0.930 44.176 45.100 0.009 0.000 0.899 1131 G HN 0.457 nan 8.290 nan 0.000 0.608 1132 L N 0.676 121.901 121.223 0.003 0.000 2.490 1132 L HA 0.189 4.530 4.340 0.001 0.000 0.274 1132 L C 2.313 179.171 176.870 -0.020 0.000 1.201 1132 L CA -0.187 54.647 54.840 -0.010 0.000 0.869 1132 L CB 0.504 42.554 42.059 -0.015 0.000 1.123 1132 L HN 0.776 nan 8.230 nan 0.000 0.484 1133 R N 1.499 121.968 120.500 -0.052 0.000 2.105 1133 R HA -0.185 4.156 4.340 0.001 0.000 0.239 1133 R C 1.804 178.068 176.300 -0.061 0.000 1.135 1133 R CA 1.818 57.870 56.100 -0.081 0.000 0.967 1133 R CB -0.058 30.118 30.300 -0.206 0.000 0.861 1133 R HN 0.755 nan 8.270 nan 0.000 0.442 1134 E N -0.234 119.932 120.200 -0.058 0.000 2.510 1134 E HA -0.137 4.214 4.350 0.001 0.000 0.202 1134 E C 0.441 177.027 176.600 -0.022 0.000 1.072 1134 E CA 0.802 57.177 56.400 -0.041 0.000 0.883 1134 E CB 0.040 29.717 29.700 -0.038 0.000 0.818 1134 E HN 0.272 nan 8.360 nan 0.000 0.548 1135 N N 0.362 119.052 118.700 -0.016 0.000 2.159 1135 N HA 0.230 4.970 4.740 0.001 0.000 0.217 1135 N C -0.447 175.063 175.510 0.000 0.000 1.223 1135 N CA -0.022 53.024 53.050 -0.006 0.000 0.896 1135 N CB 1.071 39.556 38.487 -0.003 0.000 1.064 1135 N HN 0.176 nan 8.380 nan 0.000 0.518 1136 I N 1.915 122.486 120.570 0.000 0.000 2.306 1136 I HA 0.142 4.312 4.170 0.001 0.000 0.288 1136 I C 0.179 176.302 176.117 0.010 0.000 1.036 1136 I CA -0.456 60.851 61.300 0.011 0.000 1.221 1136 I CB 1.003 39.016 38.000 0.022 0.000 1.385 1136 I HN -0.231 nan 8.210 nan 0.000 0.472 1137 E N 6.470 126.678 120.200 0.012 0.000 2.452 1137 E HA 0.240 4.591 4.350 0.001 0.000 0.261 1137 E C -0.810 175.798 176.600 0.014 0.000 0.987 1137 E CA 0.166 56.573 56.400 0.011 0.000 0.926 1137 E CB 0.905 30.611 29.700 0.011 0.000 0.934 1137 E HN 0.446 nan 8.360 nan 0.000 0.452 1138 L N 1.481 122.710 121.223 0.009 0.000 2.341 1138 L HA 0.788 5.129 4.340 0.001 0.000 0.267 1138 L C 0.380 177.246 176.870 -0.006 0.000 1.009 1138 L CA -0.608 54.236 54.840 0.007 0.000 0.819 1138 L CB 2.063 44.126 42.059 0.006 0.000 1.323 1138 L HN 0.786 nan 8.230 nan 0.000 0.425 1139 G N -0.506 108.284 108.800 -0.016 0.000 2.361 1139 G HA2 0.059 4.020 3.960 0.001 0.000 0.305 1139 G HA3 0.059 4.020 3.960 0.001 0.000 0.305 1139 G C 0.293 175.181 174.900 -0.020 0.000 1.367 1139 G CA -0.047 45.032 45.100 -0.035 0.000 0.951 1139 G HN 0.686 nan 8.290 nan 0.000 0.615 1140 T N -1.921 112.618 114.554 -0.025 0.000 2.759 1140 T HA 0.015 4.366 4.350 0.001 0.000 0.269 1140 T C 2.509 177.215 174.700 0.010 0.000 1.042 1140 T CA 2.454 64.557 62.100 0.005 0.000 1.140 1140 T CB -0.715 68.150 68.868 -0.005 0.000 0.864 1140 T HN 1.772 nan 8.240 nan 0.000 0.455 1141 G N 2.927 111.730 108.800 0.005 0.000 2.511 1141 G HA2 -0.093 3.867 3.960 0.001 0.000 0.216 1141 G HA3 -0.093 3.867 3.960 0.001 0.000 0.216 1141 G C -0.477 174.434 174.900 0.019 0.000 1.218 1141 G CA 0.936 46.042 45.100 0.011 0.000 0.788 1141 G HN 0.449 nan 8.290 nan 0.000 0.560 1142 P HA -0.107 nan 4.420 nan 0.000 0.214 1142 P C 2.082 179.401 177.300 0.031 0.000 1.163 1142 P CA 0.809 63.924 63.100 0.026 0.000 0.889 1142 P CB -0.174 31.541 31.700 0.025 0.000 0.790 1143 L N 0.264 121.510 121.223 0.039 0.000 2.081 1143 L HA -0.208 4.133 4.340 0.001 0.000 0.212 1143 L C 2.244 179.135 176.870 0.035 0.000 1.080 1143 L CA 2.026 56.898 54.840 0.054 0.000 0.754 1143 L CB -1.336 40.781 42.059 0.097 0.000 0.893 1143 L HN -0.109 nan 8.230 nan 0.000 0.433 1144 E N -0.298 119.917 120.200 0.024 0.000 2.058 1144 E HA -0.234 4.117 4.350 0.001 0.000 0.194 1144 E C 1.758 178.365 176.600 0.011 0.000 0.997 1144 E CA 2.007 58.411 56.400 0.008 0.000 0.801 1144 E CB -0.265 29.444 29.700 0.014 0.000 0.746 1144 E HN 0.594 nan 8.360 nan 0.000 0.450 1145 D N -0.024 120.390 120.400 0.024 0.000 2.162 1145 D HA -0.033 4.607 4.640 0.001 0.000 0.203 1145 D C 1.832 178.150 176.300 0.030 0.000 0.967 1145 D CA 1.316 55.336 54.000 0.033 0.000 0.840 1145 D CB -0.510 40.312 40.800 0.036 0.000 0.972 1145 D HN 0.337 nan 8.370 nan 0.000 0.482 1146 A N 1.072 123.903 122.820 0.019 0.000 1.940 1146 A HA -0.148 4.173 4.320 0.001 0.000 0.219 1146 A C 2.332 179.903 177.584 -0.022 0.000 1.176 1146 A CA 0.895 52.932 52.037 -0.000 0.000 0.631 1146 A CB -0.725 18.279 19.000 0.005 0.000 0.814 1146 A HN 0.190 nan 8.150 nan 0.000 0.446 1147 I N -0.567 119.994 120.570 -0.015 0.000 2.315 1147 I HA -0.204 3.966 4.170 0.001 0.000 0.248 1147 I C 2.674 178.780 176.117 -0.019 0.000 1.117 1147 I CA 1.339 62.620 61.300 -0.032 0.000 1.404 1147 I CB -0.355 37.617 38.000 -0.046 0.000 1.071 1147 I HN 0.243 nan 8.210 nan 0.000 0.419 1148 S N 0.791 116.493 115.700 0.003 0.000 2.348 1148 S HA -0.154 4.317 4.470 0.001 0.000 0.221 1148 S C 2.298 176.974 174.600 0.125 0.000 1.033 1148 S CA 1.340 59.567 58.200 0.045 0.000 1.010 1148 S CB -0.400 62.871 63.200 0.118 0.000 0.891 1148 S HN 0.525 nan 8.310 nan 0.000 0.442 1149 A N 2.031 124.924 122.820 0.122 0.000 1.859 1149 A HA -0.156 4.165 4.320 0.001 0.000 0.218 1149 A C 2.039 179.702 177.584 0.132 0.000 1.209 1149 A CA 1.694 53.815 52.037 0.140 0.000 0.639 1149 A CB -1.150 17.896 19.000 0.077 0.000 0.835 1149 A HN 0.376 nan 8.150 nan 0.000 0.450 1150 L N -1.881 119.368 121.223 0.043 0.000 2.051 1150 L HA -0.231 4.110 4.340 0.001 0.000 0.214 1150 L C 2.394 179.344 176.870 0.133 0.000 1.076 1150 L CA 2.237 57.108 54.840 0.052 0.000 0.758 1150 L CB -1.568 40.428 42.059 -0.105 0.000 0.890 1150 L HN 0.610 nan 8.230 nan 0.000 0.433 1151 Y N -1.142 119.095 120.300 -0.106 0.000 2.145 1151 Y HA -0.279 4.272 4.550 0.001 0.000 0.286 1151 Y C 1.917 177.670 175.900 -0.244 0.000 1.145 1151 Y CA 1.655 59.599 58.100 -0.261 0.000 1.148 1151 Y CB -0.259 37.870 38.460 -0.551 0.000 0.981 1151 Y HN 0.205 nan 8.280 nan 0.000 0.507 1152 Y N -1.403 118.981 120.300 0.141 0.000 2.470 1152 Y HA 0.027 4.578 4.550 0.002 0.000 0.284 1152 Y C 1.577 177.483 175.900 0.011 0.000 1.188 1152 Y CA -0.558 57.569 58.100 0.045 0.000 1.269 1152 Y CB -1.160 37.355 38.460 0.091 0.000 1.094 1152 Y HN 0.288 nan 8.280 nan 0.000 0.518 1153 Y N 1.190 121.528 120.300 0.063 0.000 2.163 1153 Y HA -0.259 4.291 4.550 0.001 0.000 0.288 1153 Y C 2.496 178.400 175.900 0.006 0.000 1.136 1153 Y CA 1.714 59.818 58.100 0.007 0.000 1.147 1153 Y CB -0.382 38.002 38.460 -0.126 0.000 0.987 1153 Y HN 0.149 nan 8.280 nan 0.000 0.509 1154 S N -1.302 114.383 115.700 -0.025 0.000 2.500 1154 S HA -0.143 4.328 4.470 0.001 0.000 0.239 1154 S C 1.347 175.872 174.600 -0.124 0.000 0.989 1154 S CA 1.136 59.304 58.200 -0.054 0.000 0.951 1154 S CB -1.222 62.029 63.200 0.086 0.000 0.759 1154 S HN 0.617 nan 8.310 nan 0.000 0.523 1155 T N -2.866 111.635 114.554 -0.089 0.000 3.269 1155 T HA 0.379 4.730 4.350 0.001 0.000 0.269 1155 T C 0.558 175.202 174.700 -0.093 0.000 0.993 1155 T CA 0.036 62.103 62.100 -0.056 0.000 0.909 1155 T CB -1.308 67.585 68.868 0.043 0.000 1.115 1155 T HN 0.469 nan 8.240 nan 0.000 0.543 1156 C N 0.314 119.499 119.300 -0.193 0.000 4.331 1156 C HA -0.165 4.296 4.460 0.001 0.000 0.293 1156 C C 2.266 177.194 174.990 -0.102 0.000 1.436 1156 C CA 0.352 59.259 59.018 -0.184 0.000 1.993 1156 C CB -2.410 25.250 27.740 -0.133 0.000 1.266 1156 C HN 0.867 nan 8.230 nan 0.000 0.795 1157 G N -0.961 107.809 108.800 -0.050 0.000 2.603 1157 G HA2 0.288 4.249 3.960 0.001 0.000 0.214 1157 G HA3 0.288 4.249 3.960 0.001 0.000 0.214 1157 G C 0.398 175.329 174.900 0.051 0.000 1.140 1157 G CA 1.246 46.353 45.100 0.011 0.000 0.800 1157 G HN 0.584 nan 8.290 nan 0.000 0.533 1158 T N 1.637 116.228 114.554 0.061 0.000 2.812 1158 T HA 0.445 4.796 4.350 0.001 0.000 0.282 1158 T C -0.477 174.319 174.700 0.160 0.000 0.990 1158 T CA -0.585 61.598 62.100 0.138 0.000 0.960 1158 T CB 2.261 71.280 68.868 0.252 0.000 0.948 1158 T HN 0.018 nan 8.240 nan 0.000 0.438 1159 Q N 2.119 121.994 119.800 0.124 0.000 2.354 1159 Q HA 0.255 4.596 4.340 0.001 0.000 0.244 1159 Q C 1.199 177.294 176.000 0.158 0.000 0.969 1159 Q CA -0.549 55.326 55.803 0.119 0.000 0.885 1159 Q CB 1.150 29.928 28.738 0.067 0.000 1.241 1159 Q HN 0.495 nan 8.270 nan 0.000 0.461 1160 I N 2.503 123.161 120.570 0.147 0.000 2.142 1160 I HA -0.198 3.972 4.170 0.001 0.000 0.240 1160 I C -0.667 175.433 176.117 -0.028 0.000 1.078 1160 I CA 1.315 62.650 61.300 0.058 0.000 1.343 1160 I CB -2.223 35.797 38.000 0.033 0.000 1.046 1160 I HN 0.506 nan 8.210 nan 0.000 0.405 1161 P HA -0.114 nan 4.420 nan 0.000 0.217 1161 P C 1.692 178.996 177.300 0.006 0.000 1.148 1161 P CA 1.592 64.677 63.100 -0.024 0.000 0.828 1161 P CB -0.080 31.617 31.700 -0.005 0.000 0.783 1162 T N -0.760 113.812 114.554 0.030 0.000 2.896 1162 T HA 0.004 4.354 4.350 0.001 0.000 0.263 1162 T C 1.639 176.365 174.700 0.043 0.000 1.050 1162 T CA 0.466 62.592 62.100 0.043 0.000 1.140 1162 T CB -0.690 68.212 68.868 0.058 0.000 0.877 1162 T HN 0.049 nan 8.240 nan 0.000 0.457 1163 L N 0.931 122.180 121.223 0.043 0.000 2.083 1163 L HA -0.084 4.257 4.340 0.001 0.000 0.209 1163 L C 2.775 179.701 176.870 0.092 0.000 1.083 1163 L CA 1.563 56.407 54.840 0.006 0.000 0.752 1163 L CB -0.784 41.235 42.059 -0.066 0.000 0.899 1163 L HN 0.264 nan 8.230 nan 0.000 0.433 1164 A N 0.345 123.220 122.820 0.091 0.000 1.851 1164 A HA -0.262 4.059 4.320 0.001 0.000 0.216 1164 A C 2.246 179.948 177.584 0.195 0.000 1.195 1164 A CA 1.801 53.932 52.037 0.157 0.000 0.622 1164 A CB -0.597 18.397 19.000 -0.011 0.000 0.831 1164 A HN 0.413 nan 8.150 nan 0.000 0.444 1165 R N -0.248 120.315 120.500 0.105 0.000 2.094 1165 R HA -0.120 4.221 4.340 0.001 0.000 0.239 1165 R C 2.538 178.898 176.300 0.101 0.000 1.137 1165 R CA 1.705 57.863 56.100 0.097 0.000 0.943 1165 R CB -0.679 29.656 30.300 0.058 0.000 0.850 1165 R HN 0.512 nan 8.270 nan 0.000 0.433 1166 S N 0.558 116.287 115.700 0.048 0.000 2.392 1166 S HA -0.170 4.301 4.470 0.001 0.000 0.232 1166 S C 1.643 176.242 174.600 -0.001 0.000 1.041 1166 S CA 1.421 59.611 58.200 -0.017 0.000 1.026 1166 S CB -0.312 62.822 63.200 -0.111 0.000 0.845 1166 S HN 0.173 nan 8.310 nan 0.000 0.465 1167 F N 1.497 121.520 119.950 0.121 0.000 2.084 1167 F HA 0.056 4.584 4.527 0.001 0.000 0.296 1167 F C 2.419 178.295 175.800 0.128 0.000 1.111 1167 F CA 0.853 58.949 58.000 0.160 0.000 1.224 1167 F CB -0.684 38.504 39.000 0.312 0.000 0.991 1167 F HN 0.126 nan 8.300 nan 0.000 0.471 1168 M N -0.049 119.758 119.600 0.345 0.000 2.106 1168 M HA -0.196 4.285 4.480 0.001 0.000 0.259 1168 M C 2.369 178.789 176.300 0.199 0.000 1.068 1168 M CA 2.056 57.522 55.300 0.278 0.000 1.100 1168 M CB -0.815 31.944 32.600 0.264 0.000 1.351 1168 M HN 0.214 nan 8.290 nan 0.000 0.404 1169 V N -2.376 117.627 119.914 0.148 0.000 2.427 1169 V HA -0.214 3.907 4.120 0.001 0.000 0.248 1169 V C 2.104 178.267 176.094 0.114 0.000 1.051 1169 V CA 1.772 64.136 62.300 0.106 0.000 1.048 1169 V CB -1.333 30.535 31.823 0.075 0.000 0.666 1169 V HN 0.532 nan 8.190 nan 0.000 0.456 1170 C N 0.364 119.741 119.300 0.128 0.000 2.446 1170 C HA 0.062 4.522 4.460 0.001 0.000 0.277 1170 C C 2.649 177.709 174.990 0.118 0.000 1.275 1170 C CA 1.180 60.279 59.018 0.134 0.000 1.727 1170 C CB -1.083 26.742 27.740 0.141 0.000 2.010 1170 C HN 0.611 nan 8.230 nan 0.000 0.486 1171 I N 0.628 121.254 120.570 0.094 0.000 2.179 1171 I HA -0.278 3.893 4.170 0.001 0.000 0.242 1171 I C 2.716 178.851 176.117 0.030 0.000 1.088 1171 I CA 1.655 62.931 61.300 -0.040 0.000 1.357 1171 I CB -0.588 37.302 38.000 -0.183 0.000 1.051 1171 I HN 0.462 nan 8.210 nan 0.000 0.409 1172 Q N 0.207 120.075 119.800 0.113 0.000 1.990 1172 Q HA -0.172 4.169 4.340 0.001 0.000 0.200 1172 Q C 2.321 178.388 176.000 0.112 0.000 0.980 1172 Q CA 1.509 57.382 55.803 0.117 0.000 0.832 1172 Q CB -0.199 28.595 28.738 0.094 0.000 0.897 1172 Q HN 0.487 nan 8.270 nan 0.000 0.427 1173 M N -0.226 119.446 119.600 0.120 0.000 2.435 1173 M HA -0.126 4.355 4.480 0.001 0.000 0.262 1173 M C 1.550 177.988 176.300 0.231 0.000 1.065 1173 M CA 1.210 56.608 55.300 0.162 0.000 1.076 1173 M CB -0.050 32.630 32.600 0.134 0.000 1.403 1173 M HN 0.267 nan 8.290 nan 0.000 0.454 1174 I N -2.409 118.255 120.570 0.157 0.000 3.632 1174 I HA -0.029 4.142 4.170 0.001 0.000 0.246 1174 I C 2.186 178.299 176.117 -0.007 0.000 1.125 1174 I CA 0.189 61.559 61.300 0.117 0.000 1.519 1174 I CB -0.276 37.834 38.000 0.183 0.000 1.555 1174 I HN -0.020 nan 8.210 nan 0.000 0.452 1175 S N 0.977 116.658 115.700 -0.032 0.000 2.348 1175 S HA -0.135 4.336 4.470 0.001 0.000 0.221 1175 S C 1.726 176.278 174.600 -0.080 0.000 1.033 1175 S CA 1.365 59.505 58.200 -0.099 0.000 1.010 1175 S CB -0.248 62.840 63.200 -0.186 0.000 0.891 1175 S HN 0.352 nan 8.310 nan 0.000 0.442 1176 E N 1.269 121.477 120.200 0.013 0.000 2.347 1176 E HA 0.054 4.405 4.350 0.001 0.000 0.196 1176 E C 2.035 178.761 176.600 0.210 0.000 1.008 1176 E CA 0.710 57.191 56.400 0.134 0.000 0.852 1176 E CB -0.257 29.543 29.700 0.167 0.000 0.783 1176 E HN 0.504 nan 8.360 nan 0.000 0.505 1177 A N 1.341 124.233 122.820 0.120 0.000 1.903 1177 A HA 0.139 4.460 4.320 0.001 0.000 0.213 1177 A C 2.398 180.006 177.584 0.039 0.000 1.185 1177 A CA 1.228 53.343 52.037 0.131 0.000 0.628 1177 A CB -0.298 18.793 19.000 0.152 0.000 0.830 1177 A HN 0.242 nan 8.150 nan 0.000 0.446 1178 A N 0.045 122.828 122.820 -0.061 0.000 1.933 1178 A HA -0.136 4.185 4.320 0.001 0.000 0.218 1178 A C 2.241 179.768 177.584 -0.094 0.000 1.175 1178 A CA 1.503 53.466 52.037 -0.123 0.000 0.628 1178 A CB -0.401 18.497 19.000 -0.169 0.000 0.814 1178 A HN 0.533 nan 8.150 nan 0.000 0.444 1179 R N -1.847 118.572 120.500 -0.135 0.000 2.062 1179 R HA 0.035 4.376 4.340 0.001 0.000 0.229 1179 R C -0.568 175.526 176.300 -0.342 0.000 1.128 1179 R CA 0.796 56.702 56.100 -0.324 0.000 0.960 1179 R CB -0.117 29.727 30.300 -0.760 0.000 0.855 1179 R HN 0.485 nan 8.270 nan 0.000 0.432 1180 F N 1.300 121.286 119.950 0.059 0.000 2.477 1180 F HA 0.183 4.711 4.527 0.002 0.000 0.335 1180 F C 1.052 176.930 175.800 0.131 0.000 1.130 1180 F CA -1.063 57.017 58.000 0.133 0.000 0.948 1180 F CB 1.657 40.756 39.000 0.166 0.000 1.154 1180 F HN -0.093 nan 8.300 nan 0.000 0.439 1181 Q N 2.093 122.062 119.800 0.280 0.000 2.437 1181 Q HA -0.223 4.118 4.340 0.001 0.000 0.210 1181 Q C 1.341 177.482 176.000 0.235 0.000 0.972 1181 Q CA 1.438 57.358 55.803 0.196 0.000 0.903 1181 Q CB -0.625 28.197 28.738 0.139 0.000 0.967 1181 Q HN 0.862 nan 8.270 nan 0.000 0.486 1182 Y N 1.234 121.654 120.300 0.200 0.000 2.286 1182 Y HA 0.028 4.579 4.550 0.001 0.000 0.293 1182 Y C 1.920 177.888 175.900 0.113 0.000 1.124 1182 Y CA 0.785 58.972 58.100 0.145 0.000 1.178 1182 Y CB 0.027 38.574 38.460 0.144 0.000 1.010 1182 Y HN -0.019 nan 8.280 nan 0.000 0.536 1183 I N -0.007 120.776 120.570 0.355 0.000 2.406 1183 I HA -0.191 3.980 4.170 0.001 0.000 0.249 1183 I C 2.466 178.683 176.117 0.167 0.000 1.122 1183 I CA 1.409 62.846 61.300 0.229 0.000 1.431 1183 I CB -0.349 37.782 38.000 0.218 0.000 1.087 1183 I HN 0.277 nan 8.210 nan 0.000 0.424 1184 E N 1.430 121.747 120.200 0.195 0.000 2.051 1184 E HA -0.212 4.139 4.350 0.001 0.000 0.192 1184 E C 2.267 178.979 176.600 0.187 0.000 0.991 1184 E CA 1.560 58.098 56.400 0.231 0.000 0.799 1184 E CB -0.289 29.488 29.700 0.130 0.000 0.748 1184 E HN 0.461 nan 8.360 nan 0.000 0.449 1185 G N 1.268 110.117 108.800 0.082 0.000 2.491 1185 G HA2 -0.311 3.650 3.960 0.001 0.000 0.218 1185 G HA3 -0.311 3.650 3.960 0.001 0.000 0.218 1185 G C 1.468 176.343 174.900 -0.042 0.000 1.180 1185 G CA 0.951 46.052 45.100 0.001 0.000 0.774 1185 G HN 0.286 nan 8.290 nan 0.000 0.562 1186 E N -0.210 119.935 120.200 -0.091 0.000 2.118 1186 E HA -0.124 4.227 4.350 0.001 0.000 0.195 1186 E C 2.664 179.236 176.600 -0.047 0.000 0.992 1186 E CA 0.929 57.276 56.400 -0.088 0.000 0.804 1186 E CB -0.195 29.462 29.700 -0.072 0.000 0.741 1186 E HN 0.326 nan 8.360 nan 0.000 0.458 1187 M N 0.080 119.662 119.600 -0.029 0.000 2.099 1187 M HA -0.077 4.403 4.480 0.001 0.000 0.262 1187 M C 2.150 178.325 176.300 -0.208 0.000 1.067 1187 M CA 1.197 56.406 55.300 -0.152 0.000 1.124 1187 M CB -1.046 31.394 32.600 -0.267 0.000 1.353 1187 M HN 0.015 nan 8.290 nan 0.000 0.410 1188 R N -0.307 120.139 120.500 -0.090 0.000 2.113 1188 R HA -0.172 4.169 4.340 0.001 0.000 0.244 1188 R C 2.108 178.350 176.300 -0.097 0.000 1.142 1188 R CA 2.245 58.314 56.100 -0.052 0.000 0.953 1188 R CB -0.831 29.499 30.300 0.050 0.000 0.860 1188 R HN 0.421 nan 8.270 nan 0.000 0.438 1189 T N 0.366 114.882 114.554 -0.064 0.000 2.720 1189 T HA -0.142 4.209 4.350 0.001 0.000 0.268 1189 T C 1.802 176.495 174.700 -0.012 0.000 1.037 1189 T CA 1.333 63.414 62.100 -0.032 0.000 1.144 1189 T CB -0.162 68.729 68.868 0.038 0.000 0.864 1189 T HN 0.345 nan 8.240 nan 0.000 0.444 1190 R N 0.439 120.921 120.500 -0.030 0.000 2.070 1190 R HA 0.038 4.379 4.340 0.001 0.000 0.233 1190 R C 2.530 178.800 176.300 -0.049 0.000 1.137 1190 R CA 1.351 57.442 56.100 -0.016 0.000 0.945 1190 R CB -0.565 29.706 30.300 -0.049 0.000 0.845 1190 R HN 0.368 nan 8.270 nan 0.000 0.430 1191 I N 0.485 120.983 120.570 -0.119 0.000 2.163 1191 I HA -0.321 3.850 4.170 0.001 0.000 0.243 1191 I C 2.775 178.816 176.117 -0.128 0.000 1.085 1191 I CA 1.061 62.291 61.300 -0.118 0.000 1.347 1191 I CB -0.349 37.558 38.000 -0.155 0.000 1.044 1191 I HN 0.168 nan 8.210 nan 0.000 0.408 1192 R N 0.953 121.324 120.500 -0.215 0.000 2.115 1192 R HA -0.219 4.121 4.340 0.001 0.000 0.239 1192 R C 1.629 177.644 176.300 -0.474 0.000 1.133 1192 R CA 2.080 57.927 56.100 -0.422 0.000 0.935 1192 R CB -0.692 29.199 30.300 -0.681 0.000 0.853 1192 R HN 0.381 nan 8.270 nan 0.000 0.433 1193 Y N 0.122 120.410 120.300 -0.019 0.000 2.571 1193 Y HA 0.192 4.743 4.550 0.002 0.000 0.275 1193 Y C 0.211 176.099 175.900 -0.020 0.000 1.179 1193 Y CA -0.602 57.488 58.100 -0.018 0.000 1.242 1193 Y CB -0.450 38.000 38.460 -0.017 0.000 1.126 1193 Y HN 0.173 nan 8.280 nan 0.000 0.524 1194 N N 1.125 119.862 118.700 0.063 0.000 2.710 1194 N HA -0.256 4.485 4.740 0.001 0.000 0.249 1194 N C -0.809 174.732 175.510 0.052 0.000 1.059 1194 N CA 0.687 53.759 53.050 0.037 0.000 0.720 1194 N CB -0.789 37.715 38.487 0.029 0.000 0.983 1194 N HN 0.375 nan 8.380 nan 0.000 0.544 1195 R N 0.859 121.401 120.500 0.070 0.000 2.310 1195 R HA 0.257 4.598 4.340 0.001 0.000 0.316 1195 R C 0.129 176.447 176.300 0.030 0.000 1.004 1195 R CA -0.797 55.336 56.100 0.055 0.000 0.900 1195 R CB 1.049 31.396 30.300 0.077 0.000 1.152 1195 R HN 0.304 nan 8.270 nan 0.000 0.513 1196 R N 0.801 121.310 120.500 0.016 0.000 2.539 1196 R HA 0.513 4.854 4.340 0.001 0.000 0.275 1196 R C -0.459 175.846 176.300 0.008 0.000 1.077 1196 R CA -0.311 55.794 56.100 0.008 0.000 1.097 1196 R CB 1.327 31.632 30.300 0.008 0.000 1.018 1196 R HN 0.357 nan 8.270 nan 0.000 0.483 1197 S N 0.073 115.776 115.700 0.005 0.000 2.611 1197 S HA 0.589 5.060 4.470 0.001 0.000 0.268 1197 S C -1.520 173.082 174.600 0.003 0.000 1.156 1197 S CA -0.370 57.833 58.200 0.005 0.000 0.817 1197 S CB 1.580 64.784 63.200 0.007 0.000 1.122 1197 S HN 0.894 nan 8.310 nan 0.000 0.466 1198 A N 2.181 125.002 122.820 0.002 0.000 2.302 1198 A HA 0.757 5.078 4.320 0.001 0.000 0.285 1198 A C -2.734 174.847 177.584 -0.004 0.000 1.105 1198 A CA -1.403 50.633 52.037 -0.003 0.000 0.816 1198 A CB -0.442 18.555 19.000 -0.005 0.000 1.067 1198 A HN 0.501 nan 8.150 nan 0.000 0.489 1199 P HA 0.125 nan 4.420 nan 0.000 0.267 1199 P C -0.723 176.569 177.300 -0.013 0.000 1.205 1199 P CA -0.009 63.082 63.100 -0.015 0.000 0.765 1199 P CB 0.564 32.236 31.700 -0.047 0.000 0.828 1200 D N 3.980 124.386 120.400 0.010 0.000 2.387 1200 D HA 0.157 4.798 4.640 0.001 0.000 0.251 1200 D C -2.000 174.300 176.300 -0.001 0.000 1.141 1200 D CA -1.842 52.166 54.000 0.013 0.000 0.987 1200 D CB -0.087 40.737 40.800 0.039 0.000 1.116 1200 D HN 0.043 nan 8.370 nan 0.000 0.491 1201 P HA -0.275 nan 4.420 nan 0.000 0.219 1201 P C 1.696 178.969 177.300 -0.045 0.000 1.161 1201 P CA 2.732 65.817 63.100 -0.024 0.000 0.909 1201 P CB -0.110 31.587 31.700 -0.006 0.000 0.793 1202 S N -1.342 114.352 115.700 -0.010 0.000 2.387 1202 S HA -0.163 4.307 4.470 0.001 0.000 0.230 1202 S C 2.021 176.533 174.600 -0.147 0.000 1.035 1202 S CA 1.781 59.942 58.200 -0.065 0.000 1.014 1202 S CB -1.773 61.448 63.200 0.034 0.000 0.836 1202 S HN -0.023 nan 8.310 nan 0.000 0.466 1203 V N 1.908 121.803 119.914 -0.033 0.000 2.323 1203 V HA -0.055 4.066 4.120 0.001 0.000 0.244 1203 V C 2.419 178.411 176.094 -0.170 0.000 1.041 1203 V CA 1.608 63.869 62.300 -0.066 0.000 1.025 1203 V CB -0.666 31.172 31.823 0.025 0.000 0.656 1203 V HN 0.437 nan 8.190 nan 0.000 0.451 1204 I N -0.039 120.449 120.570 -0.138 0.000 2.142 1204 I HA -0.255 3.915 4.170 0.001 0.000 0.240 1204 I C 2.558 178.573 176.117 -0.169 0.000 1.078 1204 I CA 1.951 63.150 61.300 -0.169 0.000 1.343 1204 I CB -0.565 37.350 38.000 -0.140 0.000 1.046 1204 I HN 0.292 nan 8.210 nan 0.000 0.405 1205 T N 1.162 115.623 114.554 -0.155 0.000 2.803 1205 T HA -0.155 4.196 4.350 0.001 0.000 0.269 1205 T C 1.899 176.490 174.700 -0.180 0.000 1.052 1205 T CA 1.210 63.219 62.100 -0.152 0.000 1.136 1205 T CB -0.258 68.514 68.868 -0.161 0.000 0.864 1205 T HN 0.229 nan 8.240 nan 0.000 0.467 1206 L N 0.574 121.622 121.223 -0.291 0.000 2.027 1206 L HA -0.096 4.244 4.340 0.001 0.000 0.206 1206 L C 2.734 179.379 176.870 -0.374 0.000 1.074 1206 L CA 1.450 56.014 54.840 -0.459 0.000 0.745 1206 L CB -0.500 41.039 42.059 -0.866 0.000 0.898 1206 L HN 0.343 nan 8.230 nan 0.000 0.433 1207 E N -0.026 119.984 120.200 -0.317 0.000 2.085 1207 E HA -0.226 4.125 4.350 0.001 0.000 0.194 1207 E C 1.780 178.491 176.600 0.185 0.000 0.994 1207 E CA 1.308 57.711 56.400 0.006 0.000 0.801 1207 E CB -0.267 29.424 29.700 -0.015 0.000 0.743 1207 E HN 0.474 nan 8.360 nan 0.000 0.453 1208 N N 0.339 119.075 118.700 0.061 0.000 2.309 1208 N HA -0.048 4.692 4.740 0.001 0.000 0.182 1208 N C 1.329 176.902 175.510 0.106 0.000 1.018 1208 N CA 0.873 53.973 53.050 0.084 0.000 0.876 1208 N CB 0.063 38.549 38.487 -0.002 0.000 0.972 1208 N HN -0.004 nan 8.380 nan 0.000 0.434 1209 S N -0.919 114.848 115.700 0.111 0.000 2.556 1209 S HA 0.034 4.504 4.470 0.001 0.000 0.216 1209 S C 1.226 175.966 174.600 0.234 0.000 0.970 1209 S CA -0.636 57.626 58.200 0.103 0.000 0.912 1209 S CB 0.047 63.254 63.200 0.012 0.000 0.790 1209 S HN 0.439 nan 8.310 nan 0.000 0.504 1210 W N 3.342 124.783 121.300 0.235 0.000 2.305 1210 W HA -0.212 4.448 4.660 0.001 0.000 0.308 1210 W C 2.145 178.699 176.519 0.057 0.000 1.226 1210 W CA 1.717 59.219 57.345 0.261 0.000 1.253 1210 W CB -0.890 28.768 29.460 0.331 0.000 1.146 1210 W HN 0.313 nan 8.180 nan 0.000 0.507 1211 G N -0.253 108.610 108.800 0.105 0.000 2.404 1211 G HA2 -0.232 3.728 3.960 0.001 0.000 0.215 1211 G HA3 -0.232 3.728 3.960 0.001 0.000 0.215 1211 G C 1.629 176.410 174.900 -0.200 0.000 1.174 1211 G CA 0.986 46.006 45.100 -0.133 0.000 0.780 1211 G HN 0.262 nan 8.290 nan 0.000 0.537 1212 R N -0.170 120.255 120.500 -0.126 0.000 2.081 1212 R HA 0.054 4.395 4.340 0.001 0.000 0.235 1212 R C 2.652 178.798 176.300 -0.256 0.000 1.131 1212 R CA 0.919 56.912 56.100 -0.179 0.000 0.960 1212 R CB -0.569 29.642 30.300 -0.148 0.000 0.856 1212 R HN 0.324 nan 8.270 nan 0.000 0.436 1213 L N 0.300 121.393 121.223 -0.217 0.000 1.994 1213 L HA -0.188 4.152 4.340 0.001 0.000 0.208 1213 L C 2.491 179.182 176.870 -0.299 0.000 1.071 1213 L CA 1.289 55.988 54.840 -0.234 0.000 0.745 1213 L CB -0.481 41.537 42.059 -0.068 0.000 0.892 1213 L HN 0.133 nan 8.230 nan 0.000 0.431 1214 S N -0.832 114.616 115.700 -0.420 0.000 2.392 1214 S HA -0.225 4.246 4.470 0.001 0.000 0.232 1214 S C 1.945 176.333 174.600 -0.353 0.000 1.041 1214 S CA 1.990 59.903 58.200 -0.478 0.000 1.026 1214 S CB -0.372 62.388 63.200 -0.733 0.000 0.845 1214 S HN 0.482 nan 8.310 nan 0.000 0.465 1215 T N 1.957 116.315 114.554 -0.327 0.000 2.735 1215 T HA 0.103 4.453 4.350 0.001 0.000 0.256 1215 T C 2.238 176.779 174.700 -0.265 0.000 1.042 1215 T CA 1.011 62.947 62.100 -0.274 0.000 1.147 1215 T CB -0.655 68.069 68.868 -0.241 0.000 0.865 1215 T HN 0.433 nan 8.240 nan 0.000 0.421 1216 A N 1.615 124.220 122.820 -0.358 0.000 1.896 1216 A HA -0.179 4.141 4.320 0.001 0.000 0.220 1216 A C 2.278 179.742 177.584 -0.199 0.000 1.206 1216 A CA 1.897 53.633 52.037 -0.503 0.000 0.647 1216 A CB -1.142 17.134 19.000 -1.206 0.000 0.828 1216 A HN 0.544 nan 8.150 nan 0.000 0.455 1217 I N -0.927 119.580 120.570 -0.105 0.000 2.208 1217 I HA -0.319 3.852 4.170 0.001 0.000 0.245 1217 I C 2.702 178.694 176.117 -0.207 0.000 1.097 1217 I CA 1.813 63.139 61.300 0.042 0.000 1.363 1217 I CB -0.424 37.560 38.000 -0.028 0.000 1.051 1217 I HN 0.474 nan 8.210 nan 0.000 0.413 1218 Q N 0.243 119.916 119.800 -0.211 0.000 2.378 1218 Q HA -0.081 4.260 4.340 0.001 0.000 0.205 1218 Q C 0.727 176.636 176.000 -0.152 0.000 0.954 1218 Q CA 0.698 56.371 55.803 -0.216 0.000 0.901 1218 Q CB 0.208 28.800 28.738 -0.243 0.000 0.981 1218 Q HN 0.534 nan 8.270 nan 0.000 0.483 1219 E N 0.578 120.711 120.200 -0.113 0.000 2.585 1219 E HA 0.079 4.430 4.350 0.001 0.000 0.206 1219 E C -0.358 176.246 176.600 0.008 0.000 1.007 1219 E CA -0.218 56.145 56.400 -0.062 0.000 1.028 1219 E CB 0.747 30.401 29.700 -0.077 0.000 1.087 1219 E HN 0.136 nan 8.360 nan 0.000 0.455 1220 S N -0.225 115.492 115.700 0.027 0.000 2.632 1220 S HA 0.156 4.627 4.470 0.001 0.000 0.267 1220 S C 0.741 175.398 174.600 0.095 0.000 1.276 1220 S CA -0.519 57.749 58.200 0.112 0.000 0.998 1220 S CB 1.756 65.021 63.200 0.107 0.000 0.953 1220 S HN 0.107 nan 8.310 nan 0.000 0.547 1221 N N 0.463 119.221 118.700 0.096 0.000 2.305 1221 N HA 0.078 4.818 4.740 0.001 0.000 0.179 1221 N C 0.095 175.652 175.510 0.079 0.000 1.019 1221 N CA 0.517 53.609 53.050 0.070 0.000 0.869 1221 N CB 0.161 38.678 38.487 0.049 0.000 1.000 1221 N HN 0.756 nan 8.380 nan 0.000 0.431 1222 Q N -1.716 118.139 119.800 0.091 0.000 3.311 1222 Q HA 0.239 4.580 4.340 0.001 0.000 0.254 1222 Q C -0.474 175.566 176.000 0.066 0.000 0.716 1222 Q CA 0.208 56.049 55.803 0.063 0.000 0.965 1222 Q CB 1.013 29.754 28.738 0.005 0.000 1.538 1222 Q HN 0.367 nan 8.270 nan 0.000 0.372 1223 G N 0.233 109.171 108.800 0.231 0.000 2.205 1223 G HA2 -0.325 3.636 3.960 0.001 0.000 0.261 1223 G HA3 -0.325 3.636 3.960 0.001 0.000 0.261 1223 G C 0.269 175.090 174.900 -0.131 0.000 0.980 1223 G CA 0.097 45.275 45.100 0.131 0.000 0.632 1223 G HN 0.645 nan 8.290 nan 0.000 0.533 1224 A N 0.385 123.173 122.820 -0.054 0.000 2.289 1224 A HA 0.731 5.051 4.320 0.001 0.000 0.298 1224 A C -0.112 177.501 177.584 0.049 0.000 1.208 1224 A CA -0.458 51.537 52.037 -0.070 0.000 0.845 1224 A CB 0.324 19.327 19.000 0.004 0.000 1.125 1224 A HN 0.478 nan 8.150 nan 0.000 0.517 1225 F N 1.597 121.592 119.950 0.075 0.000 2.399 1225 F HA 0.427 4.955 4.527 0.001 0.000 0.342 1225 F C 1.512 177.344 175.800 0.053 0.000 1.106 1225 F CA -0.414 57.613 58.000 0.046 0.000 1.196 1225 F CB 1.062 40.086 39.000 0.041 0.000 1.163 1225 F HN 0.710 nan 8.300 nan 0.000 0.547 1226 A N 2.189 125.146 122.820 0.227 0.000 1.933 1226 A HA 0.026 4.347 4.320 0.001 0.000 0.218 1226 A C 0.727 178.384 177.584 0.121 0.000 1.175 1226 A CA 1.602 53.711 52.037 0.120 0.000 0.628 1226 A CB -0.515 18.517 19.000 0.054 0.000 0.814 1226 A HN 0.651 nan 8.150 nan 0.000 0.444 1227 S N -1.427 114.339 115.700 0.109 0.000 2.588 1227 S HA 0.637 5.108 4.470 0.001 0.000 0.275 1227 S C -3.277 171.356 174.600 0.056 0.000 1.130 1227 S CA -1.617 56.635 58.200 0.085 0.000 0.855 1227 S CB 1.914 65.118 63.200 0.007 0.000 1.116 1227 S HN 0.154 nan 8.310 nan 0.000 0.472 1228 P HA 0.343 nan 4.420 nan 0.000 0.275 1228 P C -0.939 176.228 177.300 -0.221 0.000 1.227 1228 P CA -0.340 62.653 63.100 -0.178 0.000 0.781 1228 P CB 0.415 31.893 31.700 -0.370 0.000 0.906 1229 I N 2.597 123.014 120.570 -0.256 0.000 2.336 1229 I HA 0.270 4.441 4.170 0.001 0.000 0.292 1229 I C 0.721 176.678 176.117 -0.267 0.000 0.991 1229 I CA -0.486 60.655 61.300 -0.264 0.000 1.227 1229 I CB 1.286 39.114 38.000 -0.287 0.000 1.366 1229 I HN 0.470 nan 8.210 nan 0.000 0.466 1230 Q N 6.547 126.192 119.800 -0.257 0.000 2.241 1230 Q HA 0.680 5.020 4.340 0.001 0.000 0.254 1230 Q C -1.537 174.228 176.000 -0.391 0.000 0.917 1230 Q CA -0.445 55.170 55.803 -0.314 0.000 0.919 1230 Q CB 1.787 30.393 28.738 -0.220 0.000 1.237 1230 Q HN 0.598 nan 8.270 nan 0.000 0.434 1231 L N 1.468 122.290 121.223 -0.670 0.000 2.194 1231 L HA 0.577 4.918 4.340 0.001 0.000 0.248 1231 L C -0.817 175.637 176.870 -0.694 0.000 1.071 1231 L CA -1.094 53.307 54.840 -0.733 0.000 0.901 1231 L CB 2.484 43.952 42.059 -0.984 0.000 1.497 1231 L HN 0.686 nan 8.230 nan 0.000 0.442 1232 Q N -0.092 119.482 119.800 -0.376 0.000 2.421 1232 Q HA 0.547 4.888 4.340 0.001 0.000 0.280 1232 Q C -1.469 174.638 176.000 0.178 0.000 1.085 1232 Q CA -0.993 54.781 55.803 -0.050 0.000 0.807 1232 Q CB 3.112 31.817 28.738 -0.054 0.000 1.405 1232 Q HN 0.419 nan 8.270 nan 0.000 0.419 1233 R N 0.333 120.986 120.500 0.254 0.000 2.546 1233 R HA 0.350 4.691 4.340 0.001 0.000 0.266 1233 R C 0.943 177.316 176.300 0.121 0.000 1.086 1233 R CA -0.550 55.674 56.100 0.207 0.000 1.160 1233 R CB 0.724 31.116 30.300 0.153 0.000 1.138 1233 R HN 0.509 nan 8.270 nan 0.000 0.567 1234 R N 1.219 121.791 120.500 0.120 0.000 2.170 1234 R HA -0.159 4.182 4.340 0.001 0.000 0.242 1234 R C 1.323 177.659 176.300 0.060 0.000 1.145 1234 R CA 1.620 57.776 56.100 0.094 0.000 0.984 1234 R CB -0.310 30.050 30.300 0.100 0.000 0.869 1234 R HN 0.629 nan 8.270 nan 0.000 0.455 1235 N N -0.175 118.560 118.700 0.058 0.000 2.370 1235 N HA -0.019 4.721 4.740 0.001 0.000 0.198 1235 N C 1.024 176.556 175.510 0.037 0.000 1.156 1235 N CA 1.043 54.118 53.050 0.041 0.000 0.839 1235 N CB 0.801 39.311 38.487 0.038 0.000 0.989 1235 N HN 0.308 nan 8.380 nan 0.000 0.468 1236 G N 0.569 109.393 108.800 0.040 0.000 2.363 1236 G HA2 -0.359 3.602 3.960 0.001 0.000 0.238 1236 G HA3 -0.359 3.602 3.960 0.001 0.000 0.238 1236 G C 0.140 175.061 174.900 0.034 0.000 1.062 1236 G CA 0.455 45.570 45.100 0.025 0.000 0.629 1236 G HN 0.891 nan 8.290 nan 0.000 0.514 1237 S N 1.334 117.068 115.700 0.056 0.000 2.563 1237 S HA 0.452 4.923 4.470 0.001 0.000 0.294 1237 S C 0.279 174.944 174.600 0.109 0.000 1.279 1237 S CA 0.607 58.851 58.200 0.073 0.000 1.069 1237 S CB 1.045 64.294 63.200 0.083 0.000 0.828 1237 S HN 0.678 nan 8.310 nan 0.000 0.497 1238 K N 1.891 122.333 120.400 0.070 0.000 2.098 1238 K HA 0.651 4.972 4.320 0.001 0.000 0.261 1238 K C -0.444 176.232 176.600 0.125 0.000 0.987 1238 K CA -0.601 55.697 56.287 0.019 0.000 0.916 1238 K CB 0.802 33.268 32.500 -0.056 0.000 1.039 1238 K HN 0.743 nan 8.250 nan 0.000 0.455 1239 F N -1.864 118.072 119.950 -0.024 0.000 2.662 1239 F HA 0.487 5.015 4.527 0.001 0.000 0.312 1239 F C -0.811 174.956 175.800 -0.055 0.000 1.113 1239 F CA -1.279 56.711 58.000 -0.017 0.000 0.951 1239 F CB 1.112 40.113 39.000 0.001 0.000 1.344 1239 F HN 0.235 nan 8.300 nan 0.000 0.462 1240 N N 0.476 119.236 118.700 0.099 0.000 2.489 1240 N HA 0.663 5.404 4.740 0.001 0.000 0.284 1240 N C -1.586 173.870 175.510 -0.090 0.000 1.158 1240 N CA -0.464 52.475 53.050 -0.185 0.000 0.965 1240 N CB 2.338 40.590 38.487 -0.393 0.000 1.195 1240 N HN 0.516 nan 8.380 nan 0.000 0.506 1241 V N 2.750 122.491 119.914 -0.287 0.000 2.488 1241 V HA 0.223 4.344 4.120 0.001 0.000 0.293 1241 V C -0.742 175.354 176.094 0.004 0.000 1.027 1241 V CA -0.451 61.850 62.300 0.002 0.000 0.862 1241 V CB 0.794 32.730 31.823 0.188 0.000 1.008 1241 V HN 0.648 nan 8.190 nan 0.000 0.428 1242 Y N 0.838 121.261 120.300 0.204 0.000 2.449 1242 Y HA 0.414 4.965 4.550 0.001 0.000 0.254 1242 Y C 0.783 176.521 175.900 -0.270 0.000 1.140 1242 Y CA -0.534 57.669 58.100 0.172 0.000 1.272 1242 Y CB 0.553 39.067 38.460 0.091 0.000 1.114 1242 Y HN 0.536 nan 8.280 nan 0.000 0.525 1243 D N -1.053 119.223 120.400 -0.206 0.000 2.619 1243 D HA 0.193 4.834 4.640 0.001 0.000 0.241 1243 D C 0.603 176.625 176.300 -0.464 0.000 1.087 1243 D CA -0.329 53.406 54.000 -0.442 0.000 0.851 1243 D CB 2.757 43.480 40.800 -0.129 0.000 1.474 1243 D HN -0.102 nan 8.370 nan 0.000 0.478 1244 V N 2.801 122.410 119.914 -0.508 0.000 2.427 1244 V HA -0.160 3.961 4.120 0.001 0.000 0.248 1244 V C 1.813 177.906 176.094 -0.001 0.000 1.051 1244 V CA 2.229 64.432 62.300 -0.163 0.000 1.048 1244 V CB -0.283 31.531 31.823 -0.014 0.000 0.666 1244 V HN 0.661 nan 8.190 nan 0.000 0.456 1245 S N 0.716 116.406 115.700 -0.017 0.000 2.390 1245 S HA -0.293 4.178 4.470 0.001 0.000 0.234 1245 S C 1.665 176.294 174.600 0.047 0.000 1.063 1245 S CA 2.452 60.663 58.200 0.018 0.000 1.108 1245 S CB -0.622 62.578 63.200 -0.000 0.000 0.975 1245 S HN 0.690 nan 8.310 nan 0.000 0.442 1246 I N 1.051 121.653 120.570 0.053 0.000 2.423 1246 I HA -0.173 3.998 4.170 0.001 0.000 0.254 1246 I C 1.741 177.932 176.117 0.124 0.000 1.151 1246 I CA 1.089 62.441 61.300 0.087 0.000 1.421 1246 I CB -0.495 37.569 38.000 0.106 0.000 1.079 1246 I HN 0.234 nan 8.210 nan 0.000 0.431 1247 L N -0.189 121.115 121.223 0.135 0.000 2.416 1247 L HA 0.078 4.418 4.340 0.001 0.000 0.216 1247 L C 2.394 179.354 176.870 0.150 0.000 1.098 1247 L CA 0.267 55.208 54.840 0.167 0.000 0.840 1247 L CB -0.276 41.902 42.059 0.199 0.000 0.981 1247 L HN 0.141 nan 8.230 nan 0.000 0.462 1248 I N 1.586 122.228 120.570 0.120 0.000 2.181 1248 I HA -0.253 3.918 4.170 0.001 0.000 0.247 1248 I C -0.262 175.921 176.117 0.110 0.000 1.081 1248 I CA 1.772 63.135 61.300 0.105 0.000 1.340 1248 I CB -1.217 36.832 38.000 0.083 0.000 1.036 1248 I HN 0.287 nan 8.210 nan 0.000 0.417 1249 P HA 0.011 nan 4.420 nan 0.000 0.249 1249 P C 1.398 178.809 177.300 0.184 0.000 1.229 1249 P CA 0.869 64.046 63.100 0.129 0.000 0.788 1249 P CB 0.328 32.096 31.700 0.114 0.000 1.072 1250 I N -0.206 120.494 120.570 0.218 0.000 2.681 1250 I HA 0.162 4.333 4.170 0.001 0.000 0.247 1250 I C 1.583 177.908 176.117 0.347 0.000 1.091 1250 I CA -0.281 61.205 61.300 0.311 0.000 1.442 1250 I CB -0.614 37.556 38.000 0.284 0.000 1.219 1250 I HN -0.087 nan 8.210 nan 0.000 0.451 1251 I N 0.853 121.580 120.570 0.261 0.000 2.396 1251 I HA 0.360 4.531 4.170 0.001 0.000 0.292 1251 I C 0.847 177.001 176.117 0.062 0.000 0.999 1251 I CA -0.036 61.339 61.300 0.124 0.000 1.310 1251 I CB 1.788 39.822 38.000 0.057 0.000 1.404 1251 I HN 0.121 nan 8.210 nan 0.000 0.496 1252 A N 7.700 130.522 122.820 0.003 0.000 2.287 1252 A HA 0.484 4.805 4.320 0.001 0.000 0.214 1252 A C 0.120 177.718 177.584 0.023 0.000 1.228 1252 A CA 0.053 52.103 52.037 0.022 0.000 0.939 1252 A CB 0.295 19.308 19.000 0.021 0.000 0.992 1252 A HN 0.565 nan 8.150 nan 0.000 0.502 1253 L N -0.110 121.139 121.223 0.042 0.000 2.434 1253 L HA 0.638 4.979 4.340 0.001 0.000 0.260 1253 L C -1.037 175.971 176.870 0.230 0.000 0.983 1253 L CA -0.397 54.526 54.840 0.138 0.000 0.820 1253 L CB 2.284 44.444 42.059 0.169 0.000 1.361 1253 L HN 0.197 nan 8.230 nan 0.000 0.410 1254 M N 2.277 121.928 119.600 0.085 0.000 2.501 1254 M HA 0.401 4.882 4.480 0.001 0.000 0.293 1254 M C -0.843 175.322 176.300 -0.226 0.000 1.192 1254 M CA -0.836 54.315 55.300 -0.248 0.000 0.886 1254 M CB 2.986 35.428 32.600 -0.263 0.000 1.710 1254 M HN 0.298 nan 8.290 nan 0.000 0.457 1255 V N 2.831 122.358 119.914 -0.646 0.000 2.614 1255 V HA 0.170 4.291 4.120 0.001 0.000 0.291 1255 V C -0.966 175.023 176.094 -0.175 0.000 1.049 1255 V CA -0.104 62.019 62.300 -0.295 0.000 1.038 1255 V CB 0.725 32.304 31.823 -0.406 0.000 0.980 1255 V HN 0.725 nan 8.190 nan 0.000 0.481 1256 Y N 7.604 127.826 120.300 -0.131 0.000 2.721 1256 Y HA 0.186 4.737 4.550 0.001 0.000 0.329 1256 Y C 1.271 177.096 175.900 -0.126 0.000 1.211 1256 Y CA 0.416 58.449 58.100 -0.110 0.000 1.512 1256 Y CB 0.407 38.824 38.460 -0.072 0.000 1.249 1256 Y HN 0.683 nan 8.280 nan 0.000 0.549 1257 R N 3.955 124.095 120.500 -0.600 0.000 2.453 1257 R HA 0.240 4.580 4.340 0.001 0.000 0.233 1257 R C -0.581 175.439 176.300 -0.467 0.000 0.895 1257 R CA 0.834 56.686 56.100 -0.413 0.000 1.028 1257 R CB -0.401 29.704 30.300 -0.325 0.000 1.255 1257 R HN 0.723 nan 8.270 nan 0.000 0.571 1258 C N -2.485 116.326 119.300 -0.816 0.000 3.197 1258 C HA 0.761 5.222 4.460 0.001 0.000 0.343 1258 C C -0.515 174.159 174.990 -0.526 0.000 1.291 1258 C CA -1.828 56.897 59.018 -0.487 0.000 1.191 1258 C CB 0.918 28.504 27.740 -0.256 0.000 1.444 1258 C HN 0.276 nan 8.230 nan 0.000 0.468 1259 A N 1.477 124.235 122.820 -0.105 0.000 2.363 1259 A HA 0.767 5.088 4.320 0.001 0.000 0.270 1259 A C -2.274 175.306 177.584 -0.007 0.000 1.121 1259 A CA -0.672 51.404 52.037 0.066 0.000 0.800 1259 A CB -0.631 18.452 19.000 0.137 0.000 1.052 1259 A HN 0.800 nan 8.150 nan 0.000 0.493 1260 P HA 0.235 nan 4.420 nan 0.000 0.269 1260 P C -2.410 174.899 177.300 0.014 0.000 1.209 1260 P CA -0.636 62.469 63.100 0.008 0.000 0.776 1260 P CB 0.009 31.729 31.700 0.032 0.000 0.876 1261 P HA 0.167 nan 4.420 nan 0.000 0.276 1261 P C -2.288 175.019 177.300 0.012 0.000 1.253 1261 P CA -1.139 61.966 63.100 0.009 0.000 0.766 1261 P CB -0.100 31.604 31.700 0.006 0.000 0.845 1262 P HA 0.000 nan 4.420 nan 0.000 0.216 1262 P CA 0.000 63.106 63.100 0.010 0.000 0.800 1262 P CB 0.000 31.706 31.700 0.010 0.000 0.726