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 1hzf_1_A DATA FIRST_RESID 977 DATA SEQUENCE SPGGVASLLR LPRGCGEQTX IYLAPTLAAS RYLDKTEQWS TLPPETKDHA DATA SEQUENCE VDLIQKGYMR IQQFRKADGS YAAWLSRDSS TWLTAFVLKV LSLAQEQVGG DATA SEQUENCE SPEKLQETSN WLLSQQQADG SFQDPCPVLD RSXQGGLVGN DETVALTAFV DATA SEQUENCE TIALHHGLAV FQDEGAEPLK QRVEASISKA SSFLGEKASA GLLGAHAAAI DATA SEQUENCE TAYALTLTKA PADLRGVAHN NLXAXAQETG DNLYWGXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX QAPALWIETT AYALLHLLLH EGKAEXADQA SAWLTRQGSF DATA SEQUENCE QGGFRSTQDT VIALDALSAY WIASHT 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 977 S HA 0.000 nan 4.470 nan 0.000 0.327 977 S C 0.000 174.540 174.600 -0.100 0.000 1.055 977 S CA 0.000 58.153 58.200 -0.078 0.000 1.107 977 S CB 0.000 63.128 63.200 -0.120 0.000 0.593 978 P HA -0.335 nan 4.420 nan 0.000 0.245 978 P C 1.761 178.999 177.300 -0.103 0.000 0.756 978 P CA 2.496 65.531 63.100 -0.108 0.000 1.075 978 P CB -0.534 31.125 31.700 -0.069 0.000 0.774 979 G N -1.746 107.016 108.800 -0.065 0.000 2.469 979 G HA2 -0.237 3.718 3.960 -0.008 0.000 0.220 979 G HA3 -0.237 3.718 3.960 -0.008 0.000 0.220 979 G C 1.740 176.604 174.900 -0.061 0.000 1.136 979 G CA 1.408 46.480 45.100 -0.047 0.000 0.759 979 G HN 0.598 nan 8.290 nan 0.000 0.562 980 G N 0.113 108.863 108.800 -0.083 0.000 2.422 980 G HA2 -0.105 3.850 3.960 -0.008 0.000 0.218 980 G HA3 -0.105 3.850 3.960 -0.008 0.000 0.218 980 G C 1.726 176.561 174.900 -0.109 0.000 1.146 980 G CA 1.229 46.270 45.100 -0.097 0.000 0.769 980 G HN 0.355 nan 8.290 nan 0.000 0.547 981 V N 1.210 121.037 119.914 -0.146 0.000 2.407 981 V HA 0.038 4.152 4.120 -0.008 0.000 0.245 981 V C 3.209 179.243 176.094 -0.100 0.000 1.041 981 V CA 1.599 63.799 62.300 -0.165 0.000 1.040 981 V CB -0.537 31.116 31.823 -0.284 0.000 0.671 981 V HN 0.428 nan 8.190 nan 0.000 0.455 982 A N -0.277 122.487 122.820 -0.093 0.000 2.125 982 A HA -0.151 4.164 4.320 -0.008 0.000 0.219 982 A C 2.368 179.958 177.584 0.010 0.000 1.156 982 A CA 1.781 53.799 52.037 -0.032 0.000 0.671 982 A CB -0.495 18.498 19.000 -0.012 0.000 0.794 982 A HN 0.500 nan 8.150 nan 0.000 0.459 983 S N -0.224 115.471 115.700 -0.010 0.000 2.453 983 S HA 0.028 4.493 4.470 -0.008 0.000 0.231 983 S C 1.443 176.057 174.600 0.023 0.000 1.005 983 S CA 0.756 58.959 58.200 0.004 0.000 0.949 983 S CB -0.279 62.914 63.200 -0.013 0.000 0.774 983 S HN 0.584 nan 8.310 nan 0.000 0.510 984 L N 1.100 122.337 121.223 0.024 0.000 2.552 984 L HA 0.150 4.485 4.340 -0.008 0.000 0.227 984 L C 0.057 176.973 176.870 0.077 0.000 1.146 984 L CA 0.248 55.121 54.840 0.055 0.000 0.858 984 L CB -0.413 41.676 42.059 0.049 0.000 0.969 984 L HN 0.209 nan 8.230 nan 0.000 0.451 985 L N 1.888 123.154 121.223 0.072 0.000 2.433 985 L HA 0.172 4.507 4.340 -0.008 0.000 0.284 985 L C 0.253 177.163 176.870 0.066 0.000 1.120 985 L CA 0.331 55.226 54.840 0.092 0.000 0.879 985 L CB -0.193 41.939 42.059 0.121 0.000 1.232 985 L HN 0.211 nan 8.230 nan 0.000 0.454 986 R N 2.502 123.042 120.500 0.068 0.000 2.892 986 R HA 0.566 4.901 4.340 -0.008 0.000 0.265 986 R C -1.059 175.219 176.300 -0.036 0.000 1.025 986 R CA -1.307 54.796 56.100 0.006 0.000 0.982 986 R CB 2.331 32.649 30.300 0.030 0.000 1.185 986 R HN 0.236 nan 8.270 nan 0.000 0.484 987 L N 2.794 123.929 121.223 -0.147 0.000 2.319 987 L HA 0.344 4.679 4.340 -0.008 0.000 0.280 987 L C -2.412 174.315 176.870 -0.238 0.000 1.099 987 L CA -1.604 53.150 54.840 -0.143 0.000 0.828 987 L CB 0.750 42.725 42.059 -0.141 0.000 1.150 987 L HN 0.361 nan 8.230 nan 0.000 0.442 988 P HA 0.433 nan 4.420 nan 0.000 0.275 988 P C -1.618 175.721 177.300 0.066 0.000 1.227 988 P CA -0.293 62.863 63.100 0.094 0.000 0.781 988 P CB 0.775 32.560 31.700 0.141 0.000 0.906 989 R N 1.135 121.751 120.500 0.193 0.000 2.728 989 R HA 0.759 5.094 4.340 -0.008 0.000 0.274 989 R C -0.443 176.001 176.300 0.240 0.000 1.032 989 R CA -0.952 55.244 56.100 0.161 0.000 0.866 989 R CB 0.565 30.892 30.300 0.044 0.000 1.263 989 R HN 0.714 nan 8.270 nan 0.000 0.475 990 G N -0.098 108.819 108.800 0.194 0.000 2.582 990 G HA2 -0.124 3.831 3.960 -0.008 0.000 0.222 990 G HA3 -0.124 3.831 3.960 -0.008 0.000 0.222 990 G C 0.156 175.121 174.900 0.108 0.000 1.311 990 G CA -0.617 44.576 45.100 0.155 0.000 0.915 990 G HN 1.347 nan 8.290 nan 0.000 0.528 991 C N -0.512 118.735 119.300 -0.089 0.000 2.827 991 C HA 0.705 5.160 4.460 -0.008 0.000 0.287 991 C C 2.583 176.962 174.990 -1.019 0.000 1.497 991 C CA 0.861 59.554 59.018 -0.542 0.000 2.161 991 C CB 0.004 27.294 27.740 -0.749 0.000 2.120 991 C HN 2.285 nan 8.230 nan 0.000 0.676 992 G N -0.539 107.198 108.800 -1.773 0.000 2.432 992 G HA2 -0.101 3.854 3.960 -0.008 0.000 0.219 992 G HA3 -0.101 3.854 3.960 -0.008 0.000 0.219 992 G C 1.474 176.077 174.900 -0.495 0.000 1.135 992 G CA 0.933 45.324 45.100 -1.181 0.000 0.767 992 G HN 0.909 nan 8.290 nan 0.000 0.550 993 E N -0.186 119.733 120.200 -0.468 0.000 2.046 993 E HA -0.081 4.264 4.350 -0.008 0.000 0.190 993 E C 2.726 179.217 176.600 -0.181 0.000 0.982 993 E CA 0.677 56.930 56.400 -0.245 0.000 0.800 993 E CB -0.026 29.518 29.700 -0.260 0.000 0.756 993 E HN 0.248 nan 8.360 nan 0.000 0.449 994 Q N 0.471 120.142 119.800 -0.215 0.000 2.167 994 Q HA -0.028 4.307 4.340 -0.008 0.000 0.202 994 Q C 1.107 177.049 176.000 -0.096 0.000 0.970 994 Q CA 0.780 56.483 55.803 -0.168 0.000 0.855 994 Q CB -0.491 28.205 28.738 -0.070 0.000 0.911 994 Q HN 0.206 nan 8.270 nan 0.000 0.438 998 Y N 0.626 120.959 120.300 0.055 0.000 2.441 998 Y HA 0.167 4.713 4.550 -0.005 0.000 0.288 998 Y C 2.277 178.200 175.900 0.038 0.000 1.118 998 Y CA 0.605 58.732 58.100 0.045 0.000 1.215 998 Y CB 0.549 39.031 38.460 0.036 0.000 1.118 998 Y HN 0.048 nan 8.280 nan 0.000 0.547 999 L N -0.151 121.169 121.223 0.162 0.000 2.005 999 L HA -0.190 4.145 4.340 -0.008 0.000 0.207 999 L C 2.585 179.470 176.870 0.026 0.000 1.072 999 L CA 1.500 56.385 54.840 0.075 0.000 0.744 999 L CB -0.589 41.474 42.059 0.007 0.000 0.895 999 L HN 0.284 nan 8.230 nan 0.000 0.433 1000 A N 0.999 123.805 122.820 -0.023 0.000 1.884 1000 A HA -0.203 4.112 4.320 -0.008 0.000 0.219 1000 A C -0.141 177.473 177.584 0.051 0.000 1.197 1000 A CA 2.363 54.376 52.037 -0.041 0.000 0.637 1000 A CB -2.172 16.856 19.000 0.047 0.000 0.827 1000 A HN 0.467 nan 8.150 nan 0.000 0.450 1001 P HA -0.054 nan 4.420 nan 0.000 0.222 1001 P C 1.316 178.672 177.300 0.092 0.000 1.153 1001 P CA 1.592 64.750 63.100 0.097 0.000 0.798 1001 P CB -0.294 31.472 31.700 0.110 0.000 0.796 1002 T N 1.296 115.912 114.554 0.103 0.000 2.737 1002 T HA -0.086 4.259 4.350 -0.008 0.000 0.265 1002 T C 1.765 176.528 174.700 0.106 0.000 1.038 1002 T CA 0.748 62.913 62.100 0.108 0.000 1.144 1002 T CB -0.769 68.168 68.868 0.115 0.000 0.866 1002 T HN -0.008 nan 8.240 nan 0.000 0.434 1003 L N 1.260 122.533 121.223 0.083 0.000 2.093 1003 L HA 0.006 4.341 4.340 -0.008 0.000 0.208 1003 L C 2.627 179.548 176.870 0.086 0.000 1.085 1003 L CA 2.026 56.913 54.840 0.080 0.000 0.755 1003 L CB -1.373 40.708 42.059 0.037 0.000 0.904 1003 L HN 0.259 nan 8.230 nan 0.000 0.435 1004 A N 0.006 122.869 122.820 0.072 0.000 1.902 1004 A HA -0.123 4.192 4.320 -0.008 0.000 0.217 1004 A C 2.494 180.138 177.584 0.100 0.000 1.181 1004 A CA 1.802 53.885 52.037 0.077 0.000 0.623 1004 A CB -0.805 18.230 19.000 0.058 0.000 0.818 1004 A HN 0.551 nan 8.150 nan 0.000 0.443 1005 A N -0.829 122.040 122.820 0.082 0.000 1.877 1005 A HA -0.115 4.200 4.320 -0.008 0.000 0.216 1005 A C 2.498 180.125 177.584 0.070 0.000 1.186 1005 A CA 2.230 54.298 52.037 0.052 0.000 0.620 1005 A CB -1.037 17.981 19.000 0.030 0.000 0.822 1005 A HN 0.571 nan 8.150 nan 0.000 0.443 1006 S N -0.638 115.150 115.700 0.147 0.000 2.359 1006 S HA -0.196 4.269 4.470 -0.008 0.000 0.224 1006 S C 2.229 176.980 174.600 0.252 0.000 1.035 1006 S CA 1.365 59.740 58.200 0.292 0.000 1.018 1006 S CB -0.382 63.014 63.200 0.326 0.000 0.876 1006 S HN 0.572 nan 8.310 nan 0.000 0.448 1007 R N -0.643 119.962 120.500 0.175 0.000 2.096 1007 R HA -0.103 4.232 4.340 -0.008 0.000 0.235 1007 R C 2.143 178.484 176.300 0.069 0.000 1.127 1007 R CA 1.535 57.715 56.100 0.133 0.000 0.968 1007 R CB -0.930 29.433 30.300 0.106 0.000 0.861 1007 R HN 0.651 nan 8.270 nan 0.000 0.440 1008 Y N 1.579 121.843 120.300 -0.060 0.000 2.181 1008 Y HA -0.146 4.399 4.550 -0.008 0.000 0.288 1008 Y C 2.119 177.846 175.900 -0.288 0.000 1.146 1008 Y CA 1.471 59.484 58.100 -0.145 0.000 1.164 1008 Y CB -0.177 38.202 38.460 -0.135 0.000 0.982 1008 Y HN -0.079 nan 8.280 nan 0.000 0.515 1009 L N -0.440 120.658 121.223 -0.209 0.000 2.395 1009 L HA -0.108 4.227 4.340 -0.008 0.000 0.218 1009 L C 1.482 178.033 176.870 -0.532 0.000 1.130 1009 L CA 1.021 55.455 54.840 -0.676 0.000 0.826 1009 L CB -0.350 40.780 42.059 -1.548 0.000 0.941 1009 L HN 0.141 nan 8.230 nan 0.000 0.451 1010 D N 0.079 120.474 120.400 -0.007 0.000 2.213 1010 D HA -0.089 4.546 4.640 -0.008 0.000 0.205 1010 D C 2.120 178.448 176.300 0.046 0.000 0.961 1010 D CA 0.935 55.105 54.000 0.283 0.000 0.853 1010 D CB 0.300 41.286 40.800 0.310 0.000 0.967 1010 D HN 0.162 nan 8.370 nan 0.000 0.496 1011 K N -0.873 119.457 120.400 -0.116 0.000 2.202 1011 K HA 0.038 4.353 4.320 -0.008 0.000 0.201 1011 K C 1.793 178.187 176.600 -0.343 0.000 1.051 1011 K CA 1.103 57.305 56.287 -0.142 0.000 0.977 1011 K CB 0.252 32.678 32.500 -0.123 0.000 0.792 1011 K HN 0.116 nan 8.250 nan 0.000 0.469 1012 T N -0.665 113.429 114.554 -0.766 0.000 3.148 1012 T HA 0.013 4.358 4.350 -0.008 0.000 0.253 1012 T C 0.096 174.207 174.700 -0.981 0.000 1.134 1012 T CA 0.079 61.245 62.100 -1.556 0.000 1.051 1012 T CB -0.079 67.744 68.868 -1.741 0.000 0.959 1012 T HN 0.079 nan 8.240 nan 0.000 0.525 1013 E N 0.864 120.815 120.200 -0.416 0.000 2.389 1013 E HA -0.198 4.147 4.350 -0.008 0.000 0.243 1013 E C -0.032 176.478 176.600 -0.149 0.000 1.154 1013 E CA 0.584 56.902 56.400 -0.138 0.000 0.723 1013 E CB -2.093 27.609 29.700 0.003 0.000 1.261 1013 E HN 0.799 nan 8.360 nan 0.000 0.390 1014 Q N -1.717 117.916 119.800 -0.277 0.000 2.188 1014 Q HA 0.101 4.436 4.340 -0.008 0.000 0.212 1014 Q C 1.255 177.158 176.000 -0.162 0.000 0.846 1014 Q CA -0.251 55.423 55.803 -0.215 0.000 0.989 1014 Q CB 0.086 28.662 28.738 -0.270 0.000 1.114 1014 Q HN 0.407 nan 8.270 nan 0.000 0.488 1015 W N 1.086 122.362 121.300 -0.041 0.000 2.418 1015 W HA -0.178 4.477 4.660 -0.008 0.000 0.292 1015 W C 2.672 179.183 176.519 -0.014 0.000 1.213 1015 W CA 1.378 58.710 57.345 -0.022 0.000 1.283 1015 W CB 0.094 29.540 29.460 -0.024 0.000 1.119 1015 W HN 0.227 nan 8.180 nan 0.000 0.542 1016 S N -0.766 115.066 115.700 0.221 0.000 2.400 1016 S HA -0.270 4.195 4.470 -0.008 0.000 0.232 1016 S C 1.706 176.362 174.600 0.094 0.000 1.025 1016 S CA 1.781 60.060 58.200 0.131 0.000 0.993 1016 S CB -1.323 61.934 63.200 0.094 0.000 0.808 1016 S HN 0.289 nan 8.310 nan 0.000 0.478 1017 T N 0.250 114.846 114.554 0.070 0.000 3.163 1017 T HA 0.307 4.652 4.350 -0.008 0.000 0.260 1017 T C 0.272 175.002 174.700 0.051 0.000 1.156 1017 T CA -0.096 62.030 62.100 0.044 0.000 1.072 1017 T CB -0.654 68.223 68.868 0.015 0.000 0.937 1017 T HN 0.397 nan 8.240 nan 0.000 0.528 1018 L N 0.699 121.976 121.223 0.091 0.000 2.323 1018 L HA 0.561 4.896 4.340 -0.008 0.000 0.265 1018 L C -2.433 174.507 176.870 0.117 0.000 1.012 1018 L CA -3.153 51.752 54.840 0.108 0.000 0.820 1018 L CB 1.931 44.082 42.059 0.152 0.000 1.334 1018 L HN -0.153 nan 8.230 nan 0.000 0.427 1019 P HA -0.017 nan 4.420 nan 0.000 0.264 1019 P C -1.958 175.377 177.300 0.059 0.000 1.183 1019 P CA -0.706 62.437 63.100 0.071 0.000 0.763 1019 P CB 0.108 31.852 31.700 0.074 0.000 0.807 1020 P HA -0.191 nan 4.420 nan 0.000 0.220 1020 P C 0.534 177.769 177.300 -0.108 0.000 1.144 1020 P CA 1.599 64.682 63.100 -0.028 0.000 0.800 1020 P CB 0.208 31.890 31.700 -0.030 0.000 0.772 1021 E N -0.951 119.172 120.200 -0.128 0.000 2.371 1021 E HA -0.024 4.321 4.350 -0.008 0.000 0.194 1021 E C 1.970 178.285 176.600 -0.474 0.000 1.012 1021 E CA 0.778 56.989 56.400 -0.315 0.000 0.860 1021 E CB -1.143 28.382 29.700 -0.292 0.000 0.811 1021 E HN 0.201 nan 8.360 nan 0.000 0.502 1022 T N 0.968 115.443 114.554 -0.131 0.000 2.720 1022 T HA -0.217 4.128 4.350 -0.008 0.000 0.268 1022 T C 1.750 176.438 174.700 -0.021 0.000 1.037 1022 T CA 1.553 63.699 62.100 0.077 0.000 1.144 1022 T CB -0.099 68.935 68.868 0.276 0.000 0.864 1022 T HN 0.141 nan 8.240 nan 0.000 0.444 1023 K N 0.625 120.845 120.400 -0.300 0.000 2.097 1023 K HA -0.140 4.175 4.320 -0.008 0.000 0.205 1023 K C 1.772 178.134 176.600 -0.397 0.000 1.050 1023 K CA 1.413 57.264 56.287 -0.727 0.000 0.938 1023 K CB -0.050 31.826 32.500 -1.039 0.000 0.718 1023 K HN 0.129 nan 8.250 nan 0.000 0.442 1024 D N -0.072 120.126 120.400 -0.337 0.000 2.219 1024 D HA -0.129 4.506 4.640 -0.008 0.000 0.205 1024 D C 1.798 178.030 176.300 -0.114 0.000 0.970 1024 D CA 0.933 54.785 54.000 -0.246 0.000 0.851 1024 D CB -0.004 40.628 40.800 -0.280 0.000 0.943 1024 D HN 0.337 nan 8.370 nan 0.000 0.488 1025 H N 0.220 119.263 119.070 -0.045 0.000 2.343 1025 H HA 0.159 4.710 4.556 -0.009 0.000 0.303 1025 H C 2.081 177.419 175.328 0.016 0.000 1.068 1025 H CA 1.084 57.130 56.048 -0.003 0.000 1.359 1025 H CB -0.505 29.271 29.762 0.024 0.000 1.402 1025 H HN 0.073 nan 8.280 nan 0.000 0.515 1026 A N 0.784 123.697 122.820 0.156 0.000 1.877 1026 A HA -0.125 4.190 4.320 -0.008 0.000 0.216 1026 A C 2.786 180.421 177.584 0.084 0.000 1.186 1026 A CA 1.850 53.982 52.037 0.158 0.000 0.620 1026 A CB -0.948 18.221 19.000 0.282 0.000 0.822 1026 A HN 0.214 nan 8.150 nan 0.000 0.443 1027 V N 0.997 120.910 119.914 -0.002 0.000 2.407 1027 V HA -0.261 3.854 4.120 -0.008 0.000 0.248 1027 V C 2.399 178.499 176.094 0.010 0.000 1.055 1027 V CA 2.311 64.600 62.300 -0.019 0.000 1.049 1027 V CB -0.730 31.041 31.823 -0.088 0.000 0.662 1027 V HN 0.758 nan 8.190 nan 0.000 0.455 1028 D N -0.227 120.188 120.400 0.026 0.000 2.178 1028 D HA -0.131 4.504 4.640 -0.008 0.000 0.202 1028 D C 2.062 178.392 176.300 0.050 0.000 0.974 1028 D CA 1.073 55.096 54.000 0.038 0.000 0.841 1028 D CB 0.178 41.016 40.800 0.063 0.000 0.953 1028 D HN 0.433 nan 8.370 nan 0.000 0.478 1029 L N 0.455 121.717 121.223 0.065 0.000 2.023 1029 L HA -0.101 4.234 4.340 -0.008 0.000 0.205 1029 L C 2.782 179.697 176.870 0.074 0.000 1.073 1029 L CA 0.600 55.479 54.840 0.065 0.000 0.745 1029 L CB -0.342 41.763 42.059 0.076 0.000 0.900 1029 L HN 0.014 nan 8.230 nan 0.000 0.435 1030 I N -0.303 120.316 120.570 0.081 0.000 2.194 1030 I HA -0.373 3.792 4.170 -0.008 0.000 0.246 1030 I C 2.723 178.905 176.117 0.108 0.000 1.093 1030 I CA 1.523 62.878 61.300 0.092 0.000 1.355 1030 I CB -0.309 37.743 38.000 0.086 0.000 1.046 1030 I HN 0.412 nan 8.210 nan 0.000 0.413 1031 Q N 1.265 121.108 119.800 0.073 0.000 2.119 1031 Q HA -0.223 4.112 4.340 -0.008 0.000 0.201 1031 Q C 2.152 178.211 176.000 0.099 0.000 0.972 1031 Q CA 1.526 57.367 55.803 0.063 0.000 0.847 1031 Q CB 0.112 28.855 28.738 0.009 0.000 0.903 1031 Q HN 0.419 nan 8.270 nan 0.000 0.433 1032 K N -0.702 119.746 120.400 0.079 0.000 2.097 1032 K HA -0.082 4.233 4.320 -0.008 0.000 0.205 1032 K C 1.985 178.644 176.600 0.099 0.000 1.050 1032 K CA 1.067 57.400 56.287 0.076 0.000 0.938 1032 K CB -0.207 32.326 32.500 0.054 0.000 0.718 1032 K HN 0.346 nan 8.250 nan 0.000 0.442 1033 G N 0.133 108.998 108.800 0.107 0.000 2.408 1033 G HA2 -0.270 3.685 3.960 -0.008 0.000 0.217 1033 G HA3 -0.270 3.685 3.960 -0.008 0.000 0.217 1033 G C 1.348 176.308 174.900 0.101 0.000 1.150 1033 G CA 0.464 45.624 45.100 0.100 0.000 0.776 1033 G HN 0.257 nan 8.290 nan 0.000 0.542 1034 Y N 0.842 121.151 120.300 0.015 0.000 2.097 1034 Y HA -0.183 4.362 4.550 -0.007 0.000 0.282 1034 Y C 3.027 178.942 175.900 0.025 0.000 1.152 1034 Y CA 2.136 60.240 58.100 0.008 0.000 1.136 1034 Y CB -0.089 38.372 38.460 0.003 0.000 0.975 1034 Y HN 0.134 nan 8.280 nan 0.000 0.498 1035 M N -0.724 119.038 119.600 0.270 0.000 2.067 1035 M HA -0.258 4.217 4.480 -0.008 0.000 0.260 1035 M C 2.438 178.788 176.300 0.083 0.000 1.069 1035 M CA 1.826 57.226 55.300 0.167 0.000 1.117 1035 M CB -0.434 32.231 32.600 0.109 0.000 1.334 1035 M HN 0.152 nan 8.290 nan 0.000 0.407 1036 R N 0.450 120.998 120.500 0.079 0.000 2.091 1036 R HA -0.192 4.143 4.340 -0.008 0.000 0.238 1036 R C 2.042 178.403 176.300 0.102 0.000 1.136 1036 R CA 1.655 57.795 56.100 0.067 0.000 0.959 1036 R CB -0.458 29.914 30.300 0.119 0.000 0.856 1036 R HN 0.276 nan 8.270 nan 0.000 0.437 1037 I N 1.446 122.094 120.570 0.130 0.000 2.493 1037 I HA -0.214 3.951 4.170 -0.008 0.000 0.254 1037 I C 1.775 178.029 176.117 0.229 0.000 1.160 1037 I CA 1.417 62.835 61.300 0.197 0.000 1.445 1037 I CB -0.142 37.837 38.000 -0.035 0.000 1.086 1037 I HN 0.167 nan 8.210 nan 0.000 0.433 1038 Q N -0.007 119.855 119.800 0.104 0.000 2.369 1038 Q HA -0.147 4.188 4.340 -0.008 0.000 0.206 1038 Q C 1.972 177.972 176.000 -0.000 0.000 0.963 1038 Q CA 0.974 56.837 55.803 0.100 0.000 0.894 1038 Q CB -0.304 28.475 28.738 0.069 0.000 0.965 1038 Q HN 0.659 nan 8.270 nan 0.000 0.475 1039 Q N -0.974 118.753 119.800 -0.121 0.000 2.436 1039 Q HA -0.018 4.317 4.340 -0.008 0.000 0.209 1039 Q C 0.344 176.076 176.000 -0.447 0.000 0.965 1039 Q CA 0.506 56.111 55.803 -0.330 0.000 0.910 1039 Q CB 0.183 28.615 28.738 -0.510 0.000 0.980 1039 Q HN 0.276 nan 8.270 nan 0.000 0.491 1040 F N -0.248 119.736 119.950 0.057 0.000 2.654 1040 F HA 0.230 4.753 4.527 -0.006 0.000 0.303 1040 F C 0.611 176.384 175.800 -0.045 0.000 1.099 1040 F CA -0.440 57.590 58.000 0.050 0.000 1.270 1040 F CB 0.445 39.496 39.000 0.085 0.000 1.024 1040 F HN -0.172 nan 8.300 nan 0.000 0.548 1041 R N 1.824 122.282 120.500 -0.070 0.000 2.308 1041 R HA 0.286 4.621 4.340 -0.008 0.000 0.305 1041 R C 0.066 176.164 176.300 -0.338 0.000 1.053 1041 R CA -0.296 55.486 56.100 -0.529 0.000 0.957 1041 R CB 0.714 30.730 30.300 -0.474 0.000 1.022 1041 R HN 0.093 nan 8.270 nan 0.000 0.461 1042 K N 1.947 122.106 120.400 -0.400 0.000 2.179 1042 K HA 0.243 4.558 4.320 -0.008 0.000 0.238 1042 K C 1.038 177.520 176.600 -0.196 0.000 1.033 1042 K CA 0.014 56.163 56.287 -0.229 0.000 0.926 1042 K CB 0.806 33.180 32.500 -0.210 0.000 1.151 1042 K HN 0.703 nan 8.250 nan 0.000 0.492 1043 A N 1.206 123.961 122.820 -0.107 0.000 1.933 1043 A HA -0.171 4.144 4.320 -0.008 0.000 0.218 1043 A C 1.218 178.769 177.584 -0.055 0.000 1.175 1043 A CA 2.142 54.139 52.037 -0.065 0.000 0.628 1043 A CB -0.669 18.317 19.000 -0.024 0.000 0.814 1043 A HN 0.837 nan 8.150 nan 0.000 0.444 1044 D N -2.172 118.197 120.400 -0.051 0.000 2.336 1044 D HA 0.312 4.947 4.640 -0.008 0.000 0.229 1044 D C 1.114 177.375 176.300 -0.065 0.000 1.061 1044 D CA 0.788 54.803 54.000 0.025 0.000 0.875 1044 D CB -0.572 40.345 40.800 0.195 0.000 0.904 1044 D HN 0.717 nan 8.370 nan 0.000 0.525 1045 G N -0.030 108.643 108.800 -0.213 0.000 2.143 1045 G HA2 -0.278 3.677 3.960 -0.008 0.000 0.249 1045 G HA3 -0.278 3.677 3.960 -0.008 0.000 0.249 1045 G C 0.375 174.965 174.900 -0.517 0.000 0.981 1045 G CA 0.447 45.378 45.100 -0.281 0.000 0.665 1045 G HN 0.810 nan 8.290 nan 0.000 0.528 1046 S N -0.771 114.462 115.700 -0.777 0.000 2.687 1046 S HA 0.856 5.321 4.470 -0.008 0.000 0.283 1046 S C -0.415 173.716 174.600 -0.781 0.000 1.170 1046 S CA -0.721 56.866 58.200 -1.022 0.000 1.008 1046 S CB 1.840 63.932 63.200 -1.848 0.000 1.026 1046 S HN 0.509 nan 8.310 nan 0.000 0.541 1047 Y N -0.706 119.356 120.300 -0.397 0.000 2.570 1047 Y HA 0.806 5.351 4.550 -0.009 0.000 0.345 1047 Y C 0.374 176.192 175.900 -0.138 0.000 1.014 1047 Y CA -0.623 57.364 58.100 -0.189 0.000 1.063 1047 Y CB 2.167 40.548 38.460 -0.131 0.000 1.272 1047 Y HN 1.158 nan 8.280 nan 0.000 0.477 1048 A N 0.166 123.034 122.820 0.081 0.000 2.599 1048 A HA 0.722 5.037 4.320 -0.008 0.000 0.290 1048 A C 0.315 177.810 177.584 -0.148 0.000 1.101 1048 A CA -0.264 51.774 52.037 0.000 0.000 0.674 1048 A CB 0.439 19.462 19.000 0.039 0.000 1.277 1048 A HN 0.979 nan 8.150 nan 0.000 0.419 1049 A N -0.416 122.209 122.820 -0.326 0.000 1.940 1049 A HA 0.152 4.467 4.320 -0.008 0.000 0.219 1049 A C 0.582 177.576 177.584 -0.983 0.000 1.176 1049 A CA 1.249 52.797 52.037 -0.815 0.000 0.631 1049 A CB -0.290 18.038 19.000 -1.122 0.000 0.814 1049 A HN 0.755 nan 8.150 nan 0.000 0.446 1050 W N -2.282 119.017 121.300 -0.002 0.000 3.031 1050 W HA 0.465 5.120 4.660 -0.009 0.000 0.337 1050 W C 0.536 177.143 176.519 0.146 0.000 1.187 1050 W CA -0.941 56.481 57.345 0.129 0.000 1.166 1050 W CB 1.157 30.671 29.460 0.090 0.000 1.437 1050 W HN -0.036 nan 8.180 nan 0.000 0.551 1051 L N 1.642 123.108 121.223 0.406 0.000 2.131 1051 L HA -0.220 4.115 4.340 -0.008 0.000 0.210 1051 L C 2.337 179.313 176.870 0.177 0.000 1.092 1051 L CA 1.980 56.954 54.840 0.223 0.000 0.759 1051 L CB -0.575 41.579 42.059 0.158 0.000 0.903 1051 L HN 0.427 nan 8.230 nan 0.000 0.435 1052 S N -0.898 114.929 115.700 0.211 0.000 2.496 1052 S HA -0.087 4.378 4.470 -0.008 0.000 0.224 1052 S C 1.181 175.877 174.600 0.159 0.000 0.996 1052 S CA -0.147 58.138 58.200 0.142 0.000 0.927 1052 S CB -0.092 63.163 63.200 0.091 0.000 0.774 1052 S HN 0.313 nan 8.310 nan 0.000 0.524 1053 R N 1.557 122.201 120.500 0.239 0.000 2.441 1053 R HA 0.187 4.522 4.340 -0.008 0.000 0.284 1053 R C -1.156 175.237 176.300 0.155 0.000 1.070 1053 R CA -0.505 55.730 56.100 0.225 0.000 1.047 1053 R CB 0.291 30.792 30.300 0.335 0.000 1.016 1053 R HN 0.184 nan 8.270 nan 0.000 0.477 1054 D N 1.638 122.121 120.400 0.137 0.000 2.455 1054 D HA 0.002 4.637 4.640 -0.008 0.000 0.241 1054 D C -0.228 176.150 176.300 0.130 0.000 1.138 1054 D CA 0.529 54.608 54.000 0.132 0.000 0.877 1054 D CB 1.010 41.890 40.800 0.134 0.000 1.187 1054 D HN 0.386 nan 8.370 nan 0.000 0.451 1055 S N 0.733 116.511 115.700 0.129 0.000 2.568 1055 S HA 0.118 4.583 4.470 -0.008 0.000 0.282 1055 S C 0.351 175.066 174.600 0.191 0.000 1.338 1055 S CA -0.322 57.924 58.200 0.077 0.000 1.045 1055 S CB 0.719 63.843 63.200 -0.125 0.000 0.873 1055 S HN 0.397 nan 8.310 nan 0.000 0.516 1056 S N 1.897 117.689 115.700 0.154 0.000 2.442 1056 S HA 0.250 4.715 4.470 -0.008 0.000 0.297 1056 S C 1.251 176.043 174.600 0.319 0.000 1.131 1056 S CA -0.768 57.574 58.200 0.236 0.000 1.092 1056 S CB 0.803 64.124 63.200 0.201 0.000 0.998 1056 S HN 0.687 nan 8.310 nan 0.000 0.478 1057 T N 4.387 119.197 114.554 0.426 0.000 2.746 1057 T HA -0.114 4.231 4.350 -0.008 0.000 0.267 1057 T C 1.204 176.111 174.700 0.344 0.000 1.039 1057 T CA 1.619 64.006 62.100 0.478 0.000 1.142 1057 T CB -0.400 68.690 68.868 0.370 0.000 0.866 1057 T HN 0.867 nan 8.240 nan 0.000 0.444 1058 W N 1.500 122.882 121.300 0.136 0.000 2.354 1058 W HA -0.062 4.602 4.660 0.007 0.000 0.315 1058 W C 1.981 178.573 176.519 0.121 0.000 1.206 1058 W CA 0.644 58.019 57.345 0.051 0.000 1.290 1058 W CB -0.718 28.659 29.460 -0.139 0.000 1.152 1058 W HN 0.137 nan 8.180 nan 0.000 0.489 1059 L N 0.652 122.036 121.223 0.267 0.000 2.042 1059 L HA -0.195 4.140 4.340 -0.008 0.000 0.210 1059 L C 2.301 179.154 176.870 -0.029 0.000 1.076 1059 L CA 2.797 57.697 54.840 0.099 0.000 0.749 1059 L CB -1.316 40.864 42.059 0.201 0.000 0.893 1059 L HN -0.034 nan 8.230 nan 0.000 0.432 1060 T N -0.325 114.263 114.554 0.055 0.000 2.746 1060 T HA -0.131 4.214 4.350 -0.008 0.000 0.267 1060 T C 1.882 176.596 174.700 0.024 0.000 1.039 1060 T CA 1.293 63.432 62.100 0.065 0.000 1.142 1060 T CB -0.478 68.434 68.868 0.073 0.000 0.866 1060 T HN 0.529 nan 8.240 nan 0.000 0.444 1061 A N 1.000 123.850 122.820 0.051 0.000 1.898 1061 A HA 0.021 4.336 4.320 -0.008 0.000 0.216 1061 A C 1.987 179.557 177.584 -0.022 0.000 1.181 1061 A CA 1.049 53.100 52.037 0.024 0.000 0.620 1061 A CB -0.887 18.166 19.000 0.090 0.000 0.819 1061 A HN 0.428 nan 8.150 nan 0.000 0.442 1062 F N 0.922 120.717 119.950 -0.259 0.000 2.134 1062 F HA -0.145 4.381 4.527 -0.001 0.000 0.299 1062 F C 2.298 177.912 175.800 -0.309 0.000 1.097 1062 F CA 1.616 59.417 58.000 -0.333 0.000 1.264 1062 F CB -0.545 37.975 39.000 -0.799 0.000 1.001 1062 F HN 0.034 nan 8.300 nan 0.000 0.479 1063 V N 0.276 119.971 119.914 -0.365 0.000 2.295 1063 V HA -0.268 3.847 4.120 -0.008 0.000 0.246 1063 V C 2.419 178.274 176.094 -0.399 0.000 1.049 1063 V CA 1.692 63.662 62.300 -0.550 0.000 1.024 1063 V CB -0.943 30.347 31.823 -0.889 0.000 0.648 1063 V HN 0.410 nan 8.190 nan 0.000 0.447 1064 L N 0.620 121.701 121.223 -0.237 0.000 2.012 1064 L HA -0.209 4.126 4.340 -0.008 0.000 0.210 1064 L C 2.469 179.266 176.870 -0.122 0.000 1.073 1064 L CA 2.413 57.185 54.840 -0.112 0.000 0.748 1064 L CB -0.813 41.238 42.059 -0.012 0.000 0.891 1064 L HN 0.301 nan 8.230 nan 0.000 0.431 1065 K N -1.038 119.252 120.400 -0.183 0.000 2.026 1065 K HA -0.152 4.163 4.320 -0.008 0.000 0.208 1065 K C 1.878 178.333 176.600 -0.242 0.000 1.048 1065 K CA 2.032 58.181 56.287 -0.229 0.000 0.929 1065 K CB -0.189 32.112 32.500 -0.332 0.000 0.713 1065 K HN 0.305 nan 8.250 nan 0.000 0.439 1066 V N 1.977 121.694 119.914 -0.328 0.000 2.261 1066 V HA -0.252 3.863 4.120 -0.008 0.000 0.246 1066 V C 2.396 178.388 176.094 -0.169 0.000 1.047 1066 V CA 1.641 63.759 62.300 -0.303 0.000 1.015 1066 V CB -0.379 31.154 31.823 -0.484 0.000 0.642 1066 V HN 0.342 nan 8.190 nan 0.000 0.446 1067 L N -0.178 120.929 121.223 -0.193 0.000 2.083 1067 L HA -0.158 4.177 4.340 -0.008 0.000 0.209 1067 L C 2.621 179.533 176.870 0.069 0.000 1.083 1067 L CA 1.616 56.408 54.840 -0.079 0.000 0.752 1067 L CB -0.803 41.111 42.059 -0.241 0.000 0.899 1067 L HN 0.333 nan 8.230 nan 0.000 0.433 1068 S N 0.349 116.069 115.700 0.033 0.000 2.370 1068 S HA -0.140 4.325 4.470 -0.008 0.000 0.226 1068 S C 1.995 176.656 174.600 0.102 0.000 1.033 1068 S CA 1.260 59.516 58.200 0.095 0.000 1.011 1068 S CB -0.274 62.996 63.200 0.117 0.000 0.852 1068 S HN 0.312 nan 8.310 nan 0.000 0.457 1069 L N 1.057 122.320 121.223 0.068 0.000 2.072 1069 L HA -0.030 4.305 4.340 -0.008 0.000 0.205 1069 L C 2.750 179.667 176.870 0.078 0.000 1.079 1069 L CA 1.041 55.928 54.840 0.079 0.000 0.752 1069 L CB -0.738 41.343 42.059 0.038 0.000 0.906 1069 L HN 0.314 nan 8.230 nan 0.000 0.436 1070 A N -0.427 122.442 122.820 0.082 0.000 2.131 1070 A HA -0.271 4.044 4.320 -0.008 0.000 0.220 1070 A C 2.172 179.815 177.584 0.098 0.000 1.158 1070 A CA 1.551 53.655 52.037 0.112 0.000 0.665 1070 A CB -0.459 18.654 19.000 0.188 0.000 0.795 1070 A HN 0.398 nan 8.150 nan 0.000 0.460 1071 Q N 0.064 119.927 119.800 0.104 0.000 2.226 1071 Q HA -0.176 4.159 4.340 -0.008 0.000 0.204 1071 Q C 1.838 177.858 176.000 0.033 0.000 0.975 1071 Q CA 1.634 57.473 55.803 0.060 0.000 0.866 1071 Q CB -0.329 28.459 28.738 0.083 0.000 0.915 1071 Q HN 0.778 nan 8.270 nan 0.000 0.440 1072 E N -0.175 120.056 120.200 0.051 0.000 2.233 1072 E HA -0.238 4.107 4.350 -0.008 0.000 0.199 1072 E C -0.594 176.020 176.600 0.022 0.000 1.004 1072 E CA 1.329 57.756 56.400 0.044 0.000 0.819 1072 E CB 0.195 29.931 29.700 0.061 0.000 0.738 1072 E HN 0.470 nan 8.360 nan 0.000 0.478 1073 Q N -2.449 117.356 119.800 0.009 0.000 3.091 1073 Q HA 0.365 4.700 4.340 -0.008 0.000 0.203 1073 Q C -0.391 175.585 176.000 -0.040 0.000 0.768 1073 Q CA -0.204 55.590 55.803 -0.016 0.000 0.955 1073 Q CB 1.197 29.928 28.738 -0.011 0.000 1.533 1073 Q HN -0.031 nan 8.270 nan 0.000 0.472 1074 V N -0.046 119.820 119.914 -0.079 0.000 4.633 1074 V HA 0.258 4.373 4.120 -0.008 0.000 0.506 1074 V C 0.658 176.629 176.094 -0.205 0.000 2.061 1074 V CA 0.506 62.721 62.300 -0.142 0.000 2.328 1074 V CB 0.152 31.872 31.823 -0.171 0.000 0.999 1074 V HN 1.447 nan 8.190 nan 0.000 0.376 1075 G N 0.263 108.966 108.800 -0.161 0.000 3.116 1075 G HA2 0.397 4.352 3.960 -0.008 0.000 0.685 1075 G HA3 0.397 4.352 3.960 -0.008 0.000 0.685 1075 G C 0.086 174.835 174.900 -0.252 0.000 1.327 1075 G CA 0.110 45.120 45.100 -0.151 0.000 1.107 1075 G HN 1.825 nan 8.290 nan 0.000 0.591 1076 G N 0.180 108.890 108.800 -0.151 0.000 2.755 1076 G HA2 0.782 4.737 3.960 -0.008 0.000 0.297 1076 G HA3 0.782 4.737 3.960 -0.008 0.000 0.297 1076 G C -0.018 174.885 174.900 0.005 0.000 1.441 1076 G CA 0.543 45.571 45.100 -0.120 0.000 0.964 1076 G HN 2.044 nan 8.290 nan 0.000 0.540 1077 S N 2.984 118.698 115.700 0.023 0.000 2.887 1077 S HA 0.107 4.572 4.470 -0.008 0.000 0.337 1077 S C -0.844 173.772 174.600 0.025 0.000 1.209 1077 S CA -0.206 58.005 58.200 0.019 0.000 1.186 1077 S CB 1.100 64.313 63.200 0.022 0.000 0.925 1077 S HN 0.541 nan 8.310 nan 0.000 0.522 1078 P HA -0.128 nan 4.420 nan 0.000 0.222 1078 P C 0.884 178.123 177.300 -0.102 0.000 1.147 1078 P CA 0.993 64.076 63.100 -0.029 0.000 0.790 1078 P CB 0.205 31.888 31.700 -0.029 0.000 0.780 1079 E N 0.173 120.324 120.200 -0.083 0.000 2.106 1079 E HA -0.145 4.200 4.350 -0.008 0.000 0.192 1079 E C 2.161 178.713 176.600 -0.080 0.000 0.984 1079 E CA 1.049 57.386 56.400 -0.106 0.000 0.806 1079 E CB -0.232 29.430 29.700 -0.063 0.000 0.750 1079 E HN 0.116 nan 8.360 nan 0.000 0.458 1080 K N 0.417 120.801 120.400 -0.026 0.000 2.063 1080 K HA -0.145 4.170 4.320 -0.008 0.000 0.208 1080 K C 2.133 178.736 176.600 0.006 0.000 1.048 1080 K CA 1.066 57.356 56.287 0.004 0.000 0.928 1080 K CB -0.389 32.144 32.500 0.055 0.000 0.713 1080 K HN 0.247 nan 8.250 nan 0.000 0.442 1081 L N 1.019 122.243 121.223 0.001 0.000 2.156 1081 L HA -0.150 4.185 4.340 -0.008 0.000 0.208 1081 L C 2.497 179.340 176.870 -0.045 0.000 1.095 1081 L CA 0.940 55.792 54.840 0.020 0.000 0.770 1081 L CB -0.363 41.729 42.059 0.055 0.000 0.914 1081 L HN 0.231 nan 8.230 nan 0.000 0.439 1082 Q N -0.174 119.472 119.800 -0.256 0.000 2.167 1082 Q HA -0.233 4.102 4.340 -0.008 0.000 0.202 1082 Q C 1.976 177.904 176.000 -0.119 0.000 0.970 1082 Q CA 1.284 56.793 55.803 -0.489 0.000 0.855 1082 Q CB -0.045 28.261 28.738 -0.720 0.000 0.911 1082 Q HN 0.520 nan 8.270 nan 0.000 0.438 1083 E N 0.418 120.585 120.200 -0.056 0.000 2.072 1083 E HA -0.135 4.210 4.350 -0.008 0.000 0.190 1083 E C 1.618 178.282 176.600 0.107 0.000 0.982 1083 E CA 1.301 57.716 56.400 0.026 0.000 0.803 1083 E CB 0.224 29.927 29.700 0.005 0.000 0.755 1083 E HN 0.203 nan 8.360 nan 0.000 0.453 1084 T N 0.108 114.724 114.554 0.103 0.000 2.788 1084 T HA -0.099 4.246 4.350 -0.008 0.000 0.268 1084 T C 1.977 176.830 174.700 0.254 0.000 1.044 1084 T CA 1.305 63.506 62.100 0.167 0.000 1.139 1084 T CB -0.135 68.832 68.868 0.165 0.000 0.867 1084 T HN 0.081 nan 8.240 nan 0.000 0.454 1085 S N 1.301 117.139 115.700 0.230 0.000 2.402 1085 S HA -0.082 4.383 4.470 -0.008 0.000 0.229 1085 S C 2.004 176.761 174.600 0.261 0.000 1.021 1085 S CA 0.644 59.007 58.200 0.271 0.000 0.974 1085 S CB -0.417 63.023 63.200 0.400 0.000 0.800 1085 S HN 0.568 nan 8.310 nan 0.000 0.484 1086 N N -0.300 118.541 118.700 0.234 0.000 2.120 1086 N HA -0.172 4.563 4.740 -0.008 0.000 0.188 1086 N C 1.711 177.348 175.510 0.211 0.000 1.024 1086 N CA 1.238 54.404 53.050 0.194 0.000 0.852 1086 N CB -0.222 38.355 38.487 0.150 0.000 1.003 1086 N HN 0.553 nan 8.380 nan 0.000 0.424 1087 W N 1.965 123.315 121.300 0.082 0.000 2.338 1087 W HA -0.079 4.574 4.660 -0.011 0.000 0.304 1087 W C 2.050 178.636 176.519 0.111 0.000 1.212 1087 W CA 1.023 58.416 57.345 0.081 0.000 1.264 1087 W CB -0.361 29.138 29.460 0.066 0.000 1.142 1087 W HN 0.035 nan 8.180 nan 0.000 0.512 1088 L N 0.195 121.652 121.223 0.389 0.000 2.083 1088 L HA -0.257 4.078 4.340 -0.008 0.000 0.209 1088 L C 2.338 179.321 176.870 0.188 0.000 1.083 1088 L CA 1.116 56.110 54.840 0.256 0.000 0.752 1088 L CB -0.905 41.294 42.059 0.233 0.000 0.899 1088 L HN 0.058 nan 8.230 nan 0.000 0.433 1089 L N -0.509 120.815 121.223 0.168 0.000 2.353 1089 L HA -0.136 4.199 4.340 -0.008 0.000 0.220 1089 L C 2.576 179.455 176.870 0.015 0.000 1.133 1089 L CA 1.148 56.080 54.840 0.153 0.000 0.798 1089 L CB -0.622 41.506 42.059 0.115 0.000 0.922 1089 L HN 0.392 nan 8.230 nan 0.000 0.445 1090 S N -1.739 113.892 115.700 -0.115 0.000 2.528 1090 S HA -0.082 4.382 4.470 -0.008 0.000 0.219 1090 S C 1.737 176.200 174.600 -0.228 0.000 0.985 1090 S CA 0.072 58.150 58.200 -0.203 0.000 0.914 1090 S CB 0.116 63.126 63.200 -0.317 0.000 0.776 1090 S HN 0.262 nan 8.310 nan 0.000 0.526 1091 Q N 1.275 120.967 119.800 -0.181 0.000 2.360 1091 Q HA 0.340 4.675 4.340 -0.008 0.000 0.202 1091 Q C 0.481 176.464 176.000 -0.028 0.000 0.915 1091 Q CA 0.170 55.923 55.803 -0.085 0.000 0.943 1091 Q CB 0.076 28.803 28.738 -0.019 0.000 1.064 1091 Q HN 0.789 nan 8.270 nan 0.000 0.511 1092 Q N 0.187 119.864 119.800 -0.205 0.000 2.259 1092 Q HA 0.126 4.461 4.340 -0.008 0.000 0.249 1092 Q C -0.508 175.248 176.000 -0.406 0.000 0.914 1092 Q CA -0.461 54.940 55.803 -0.670 0.000 0.904 1092 Q CB 0.698 28.944 28.738 -0.820 0.000 1.213 1092 Q HN 0.038 nan 8.270 nan 0.000 0.428 1093 Q N 1.217 120.756 119.800 -0.435 0.000 2.237 1093 Q HA 0.284 4.619 4.340 -0.008 0.000 0.219 1093 Q C 0.474 176.329 176.000 -0.242 0.000 0.999 1093 Q CA 0.399 56.034 55.803 -0.281 0.000 0.959 1093 Q CB 0.953 29.532 28.738 -0.266 0.000 1.173 1093 Q HN 0.874 nan 8.270 nan 0.000 0.527 1094 A N 0.947 123.670 122.820 -0.161 0.000 1.930 1094 A HA -0.174 4.141 4.320 -0.008 0.000 0.217 1094 A C 1.210 178.730 177.584 -0.106 0.000 1.175 1094 A CA 1.916 53.885 52.037 -0.114 0.000 0.627 1094 A CB -0.405 18.551 19.000 -0.074 0.000 0.815 1094 A HN 0.776 nan 8.150 nan 0.000 0.443 1095 D N -1.882 118.445 120.400 -0.121 0.000 2.363 1095 D HA 0.200 4.835 4.640 -0.008 0.000 0.226 1095 D C 1.216 177.449 176.300 -0.112 0.000 1.020 1095 D CA 1.199 55.162 54.000 -0.063 0.000 0.892 1095 D CB -0.463 40.332 40.800 -0.007 0.000 0.900 1095 D HN 0.812 nan 8.370 nan 0.000 0.531 1096 G N 0.144 108.791 108.800 -0.255 0.000 2.213 1096 G HA2 -0.278 3.677 3.960 -0.008 0.000 0.236 1096 G HA3 -0.278 3.677 3.960 -0.008 0.000 0.236 1096 G C 0.455 175.017 174.900 -0.564 0.000 0.991 1096 G CA 0.427 45.348 45.100 -0.298 0.000 0.629 1096 G HN 0.813 nan 8.290 nan 0.000 0.517 1097 S N -0.354 114.832 115.700 -0.856 0.000 2.634 1097 S HA 0.794 5.259 4.470 -0.008 0.000 0.261 1097 S C -0.185 174.033 174.600 -0.637 0.000 1.271 1097 S CA -0.376 57.277 58.200 -0.911 0.000 0.985 1097 S CB 1.339 63.825 63.200 -1.190 0.000 0.968 1097 S HN 0.509 nan 8.310 nan 0.000 0.568 1098 F N 0.510 120.340 119.950 -0.200 0.000 2.546 1098 F HA 0.510 5.031 4.527 -0.010 0.000 0.320 1098 F C 0.249 176.022 175.800 -0.045 0.000 1.076 1098 F CA -0.643 57.309 58.000 -0.079 0.000 0.928 1098 F CB 2.275 41.281 39.000 0.009 0.000 1.189 1098 F HN 0.776 nan 8.300 nan 0.000 0.465 1099 Q N 0.557 120.458 119.800 0.169 0.000 2.387 1099 Q HA 0.524 4.859 4.340 -0.008 0.000 0.273 1099 Q C -1.930 174.163 176.000 0.156 0.000 1.089 1099 Q CA -1.062 54.808 55.803 0.112 0.000 0.824 1099 Q CB 2.742 31.503 28.738 0.038 0.000 1.367 1099 Q HN 0.429 nan 8.270 nan 0.000 0.443 1100 D N 2.278 122.762 120.400 0.140 0.000 2.464 1100 D HA 0.239 4.874 4.640 -0.008 0.000 0.243 1100 D C -1.602 174.775 176.300 0.129 0.000 1.104 1100 D CA -2.250 51.852 54.000 0.169 0.000 0.883 1100 D CB 1.544 42.448 40.800 0.173 0.000 1.050 1100 D HN 0.421 nan 8.370 nan 0.000 0.524 1101 P HA -0.093 nan 4.420 nan 0.000 0.216 1101 P C 0.596 177.961 177.300 0.109 0.000 1.150 1101 P CA 0.474 63.639 63.100 0.109 0.000 0.837 1101 P CB 0.462 32.234 31.700 0.120 0.000 0.786 1102 C N 1.078 120.460 119.300 0.137 0.000 2.814 1102 C HA 0.517 4.972 4.460 -0.008 0.000 0.269 1102 C C -2.688 172.365 174.990 0.105 0.000 1.090 1102 C CA -2.311 56.775 59.018 0.113 0.000 1.492 1102 C CB -0.351 27.465 27.740 0.126 0.000 1.825 1102 C HN 0.072 nan 8.230 nan 0.000 0.442 1103 P HA 0.076 nan 4.420 nan 0.000 0.269 1103 P C -0.124 177.183 177.300 0.013 0.000 1.217 1103 P CA 0.193 63.312 63.100 0.032 0.000 0.783 1103 P CB 0.407 32.094 31.700 -0.022 0.000 0.898 1104 V N 0.821 120.722 119.914 -0.021 0.000 2.963 1104 V HA 0.028 4.142 4.120 -0.008 0.000 0.306 1104 V C 1.507 177.550 176.094 -0.084 0.000 1.077 1104 V CA 0.018 62.290 62.300 -0.047 0.000 1.124 1104 V CB -0.393 31.396 31.823 -0.058 0.000 0.987 1104 V HN 0.466 nan 8.190 nan 0.000 0.487 1105 L N 0.389 121.564 121.223 -0.080 0.000 2.027 1105 L HA -0.008 4.327 4.340 -0.008 0.000 0.206 1105 L C 1.579 178.395 176.870 -0.090 0.000 1.074 1105 L CA 1.662 56.466 54.840 -0.060 0.000 0.745 1105 L CB -0.078 41.958 42.059 -0.038 0.000 0.898 1105 L HN 0.949 nan 8.230 nan 0.000 0.433 1106 D N 0.061 120.387 120.400 -0.124 0.000 2.558 1106 D HA 0.011 4.646 4.640 -0.008 0.000 0.221 1106 D C 1.154 177.334 176.300 -0.199 0.000 1.143 1106 D CA 0.005 53.922 54.000 -0.138 0.000 1.010 1106 D CB 0.422 41.141 40.800 -0.135 0.000 1.068 1106 D HN 0.093 nan 8.370 nan 0.000 0.511 1107 R N 0.798 121.176 120.500 -0.202 0.000 2.249 1107 R HA -0.074 4.261 4.340 -0.008 0.000 0.230 1107 R C 1.366 177.484 176.300 -0.302 0.000 1.121 1107 R CA 0.298 56.230 56.100 -0.279 0.000 0.997 1107 R CB -0.284 29.886 30.300 -0.217 0.000 0.867 1107 R HN 0.390 nan 8.270 nan 0.000 0.465 1111 G N 0.847 109.462 108.800 -0.309 0.000 2.552 1111 G HA2 -0.373 3.582 3.960 -0.008 0.000 0.265 1111 G HA3 -0.373 3.582 3.960 -0.008 0.000 0.265 1111 G C 0.698 175.441 174.900 -0.261 0.000 1.234 1111 G CA 0.072 45.067 45.100 -0.176 0.000 0.944 1111 G HN 0.511 nan 8.290 nan 0.000 0.568 1112 G N -0.207 108.384 108.800 -0.348 0.000 2.586 1112 G HA2 0.163 4.117 3.960 -0.008 0.000 0.215 1112 G HA3 0.163 4.117 3.960 -0.008 0.000 0.215 1112 G C 1.813 176.238 174.900 -0.791 0.000 1.128 1112 G CA 1.455 46.118 45.100 -0.728 0.000 0.774 1112 G HN 1.293 nan 8.290 nan 0.000 0.543 1113 L N 0.536 121.462 121.223 -0.496 0.000 2.083 1113 L HA 0.076 4.411 4.340 -0.008 0.000 0.209 1113 L C 1.036 177.776 176.870 -0.217 0.000 1.083 1113 L CA 0.588 55.282 54.840 -0.244 0.000 0.752 1113 L CB -0.022 41.898 42.059 -0.231 0.000 0.899 1113 L HN -0.038 nan 8.230 nan 0.000 0.433 1114 V N 1.880 121.635 119.914 -0.264 0.000 2.421 1114 V HA 0.498 4.613 4.120 -0.008 0.000 0.271 1114 V C 0.785 176.796 176.094 -0.137 0.000 1.031 1114 V CA 0.607 62.788 62.300 -0.199 0.000 1.032 1114 V CB -0.575 31.118 31.823 -0.216 0.000 1.009 1114 V HN 0.621 nan 8.190 nan 0.000 0.477 1115 G N 4.010 112.757 108.800 -0.088 0.000 2.392 1115 G HA2 0.048 4.003 3.960 -0.008 0.000 0.260 1115 G HA3 0.048 4.003 3.960 -0.008 0.000 0.260 1115 G C 0.115 175.002 174.900 -0.022 0.000 1.226 1115 G CA -0.215 44.855 45.100 -0.050 0.000 0.913 1115 G HN 0.386 nan 8.290 nan 0.000 0.483 1116 N N 0.134 118.833 118.700 -0.001 0.000 2.424 1116 N HA 0.067 4.802 4.740 -0.008 0.000 0.178 1116 N C -0.188 175.338 175.510 0.027 0.000 1.060 1116 N CA 0.371 53.428 53.050 0.012 0.000 0.901 1116 N CB 0.454 38.950 38.487 0.015 0.000 0.979 1116 N HN 0.274 nan 8.380 nan 0.000 0.451 1117 D N 0.586 121.007 120.400 0.035 0.000 2.615 1117 D HA 0.018 4.653 4.640 -0.008 0.000 0.236 1117 D C 0.733 177.076 176.300 0.073 0.000 1.233 1117 D CA 0.076 54.112 54.000 0.059 0.000 0.829 1117 D CB 0.471 41.313 40.800 0.069 0.000 1.024 1117 D HN 0.281 nan 8.370 nan 0.000 0.490 1118 E N 0.365 120.592 120.200 0.046 0.000 2.058 1118 E HA -0.160 4.185 4.350 -0.008 0.000 0.194 1118 E C 1.329 177.982 176.600 0.089 0.000 0.997 1118 E CA 1.255 57.678 56.400 0.038 0.000 0.801 1118 E CB 0.373 30.073 29.700 0.001 0.000 0.746 1118 E HN 0.028 nan 8.360 nan 0.000 0.450 1119 T N 0.123 114.742 114.554 0.108 0.000 2.720 1119 T HA -0.142 4.203 4.350 -0.008 0.000 0.268 1119 T C 1.874 176.708 174.700 0.223 0.000 1.037 1119 T CA 1.336 63.524 62.100 0.148 0.000 1.144 1119 T CB -0.161 68.798 68.868 0.151 0.000 0.864 1119 T HN 0.019 nan 8.240 nan 0.000 0.444 1120 V N 1.543 121.602 119.914 0.241 0.000 2.307 1120 V HA -0.124 3.991 4.120 -0.008 0.000 0.245 1120 V C 2.874 179.095 176.094 0.212 0.000 1.045 1120 V CA 1.620 64.082 62.300 0.271 0.000 1.024 1120 V CB -1.190 30.728 31.823 0.159 0.000 0.651 1120 V HN 0.517 nan 8.190 nan 0.000 0.449 1121 A N -0.135 122.792 122.820 0.179 0.000 1.908 1121 A HA -0.217 4.098 4.320 -0.008 0.000 0.218 1121 A C 2.171 179.904 177.584 0.247 0.000 1.181 1121 A CA 2.192 54.349 52.037 0.200 0.000 0.627 1121 A CB -0.591 18.536 19.000 0.212 0.000 0.818 1121 A HN 0.454 nan 8.150 nan 0.000 0.445 1122 L N -0.238 121.122 121.223 0.228 0.000 2.027 1122 L HA -0.101 4.234 4.340 -0.008 0.000 0.206 1122 L C 2.467 179.520 176.870 0.305 0.000 1.074 1122 L CA 2.837 57.844 54.840 0.279 0.000 0.745 1122 L CB -1.062 41.131 42.059 0.224 0.000 0.898 1122 L HN 0.374 nan 8.230 nan 0.000 0.433 1123 T N -0.055 114.681 114.554 0.303 0.000 2.746 1123 T HA -0.158 4.187 4.350 -0.008 0.000 0.267 1123 T C 1.899 176.762 174.700 0.273 0.000 1.039 1123 T CA 1.374 63.698 62.100 0.374 0.000 1.142 1123 T CB -0.586 68.494 68.868 0.354 0.000 0.866 1123 T HN 0.520 nan 8.240 nan 0.000 0.444 1124 A N 0.873 123.825 122.820 0.221 0.000 1.898 1124 A HA 0.030 4.345 4.320 -0.008 0.000 0.216 1124 A C 2.020 179.668 177.584 0.106 0.000 1.181 1124 A CA 1.157 53.266 52.037 0.119 0.000 0.620 1124 A CB -0.954 18.074 19.000 0.047 0.000 0.819 1124 A HN 0.466 nan 8.150 nan 0.000 0.442 1125 F N 0.734 120.713 119.950 0.049 0.000 2.102 1125 F HA -0.167 4.359 4.527 -0.003 0.000 0.298 1125 F C 2.243 178.038 175.800 -0.008 0.000 1.105 1125 F CA 2.104 60.143 58.000 0.066 0.000 1.239 1125 F CB -0.219 38.882 39.000 0.169 0.000 0.991 1125 F HN 0.028 nan 8.300 nan 0.000 0.474 1126 V N -0.380 119.588 119.914 0.091 0.000 2.490 1126 V HA -0.293 3.822 4.120 -0.008 0.000 0.250 1126 V C 2.272 178.219 176.094 -0.245 0.000 1.061 1126 V CA 2.274 64.453 62.300 -0.202 0.000 1.064 1126 V CB -1.095 30.360 31.823 -0.613 0.000 0.670 1126 V HN 0.428 nan 8.190 nan 0.000 0.461 1127 T N 0.315 114.801 114.554 -0.114 0.000 2.708 1127 T HA -0.118 4.227 4.350 -0.008 0.000 0.266 1127 T C 1.841 176.516 174.700 -0.042 0.000 1.037 1127 T CA 1.716 63.801 62.100 -0.024 0.000 1.146 1127 T CB -0.269 68.630 68.868 0.051 0.000 0.865 1127 T HN 0.345 nan 8.240 nan 0.000 0.435 1128 I N 1.294 121.809 120.570 -0.090 0.000 2.264 1128 I HA -0.214 3.951 4.170 -0.008 0.000 0.248 1128 I C 2.866 179.023 176.117 0.067 0.000 1.111 1128 I CA 1.097 62.365 61.300 -0.054 0.000 1.382 1128 I CB -0.451 37.495 38.000 -0.090 0.000 1.060 1128 I HN 0.204 nan 8.210 nan 0.000 0.418 1129 A N 0.878 123.623 122.820 -0.125 0.000 1.902 1129 A HA -0.153 4.162 4.320 -0.008 0.000 0.217 1129 A C 2.290 179.889 177.584 0.026 0.000 1.181 1129 A CA 1.349 53.320 52.037 -0.109 0.000 0.623 1129 A CB -0.798 18.064 19.000 -0.231 0.000 0.818 1129 A HN 0.380 nan 8.150 nan 0.000 0.443 1130 L N -1.623 119.602 121.223 0.003 0.000 2.083 1130 L HA -0.201 4.134 4.340 -0.008 0.000 0.209 1130 L C 2.603 179.478 176.870 0.008 0.000 1.083 1130 L CA 1.766 56.619 54.840 0.021 0.000 0.752 1130 L CB -0.661 41.406 42.059 0.013 0.000 0.899 1130 L HN 0.664 nan 8.230 nan 0.000 0.433 1131 H N -0.572 118.463 119.070 -0.058 0.000 2.321 1131 H HA -0.203 4.348 4.556 -0.008 0.000 0.300 1131 H C 2.278 177.523 175.328 -0.139 0.000 1.087 1131 H CA 2.142 58.115 56.048 -0.124 0.000 1.319 1131 H CB 0.042 29.704 29.762 -0.168 0.000 1.379 1131 H HN 0.298 nan 8.280 nan 0.000 0.501 1132 H N -1.323 117.784 119.070 0.062 0.000 2.421 1132 H HA -0.006 4.545 4.556 -0.008 0.000 0.298 1132 H C 2.371 177.699 175.328 -0.001 0.000 1.087 1132 H CA 1.246 57.315 56.048 0.034 0.000 1.330 1132 H CB -0.337 29.451 29.762 0.045 0.000 1.388 1132 H HN 0.542 nan 8.280 nan 0.000 0.526 1133 G N 0.076 108.949 108.800 0.121 0.000 2.422 1133 G HA2 -0.184 3.771 3.960 -0.008 0.000 0.218 1133 G HA3 -0.184 3.771 3.960 -0.008 0.000 0.218 1133 G C 1.620 176.600 174.900 0.134 0.000 1.140 1133 G CA 0.465 45.672 45.100 0.179 0.000 0.775 1133 G HN 0.298 nan 8.290 nan 0.000 0.545 1134 L N 0.702 121.781 121.223 -0.239 0.000 2.042 1134 L HA -0.097 4.238 4.340 -0.008 0.000 0.210 1134 L C 3.291 180.041 176.870 -0.200 0.000 1.076 1134 L CA 0.985 55.482 54.840 -0.572 0.000 0.749 1134 L CB -0.309 41.406 42.059 -0.573 0.000 0.893 1134 L HN 0.308 nan 8.230 nan 0.000 0.432 1135 A N -0.918 121.827 122.820 -0.125 0.000 2.234 1135 A HA -0.070 4.245 4.320 -0.008 0.000 0.216 1135 A C 1.692 179.321 177.584 0.074 0.000 1.167 1135 A CA 1.162 53.175 52.037 -0.040 0.000 0.698 1135 A CB -0.351 18.620 19.000 -0.049 0.000 0.779 1135 A HN 0.291 nan 8.150 nan 0.000 0.475 1136 V N -0.823 119.200 119.914 0.181 0.000 3.176 1136 V HA 0.243 4.358 4.120 -0.008 0.000 0.332 1136 V C -0.411 175.850 176.094 0.279 0.000 1.414 1136 V CA -0.470 61.950 62.300 0.200 0.000 1.133 1136 V CB -0.718 31.211 31.823 0.177 0.000 1.088 1136 V HN 0.361 nan 8.190 nan 0.000 0.473 1137 F N 2.642 122.592 119.950 0.001 0.000 2.410 1137 F HA 0.393 4.915 4.527 -0.009 0.000 0.348 1137 F C 1.229 177.031 175.800 0.004 0.000 1.106 1137 F CA -1.428 56.575 58.000 0.005 0.000 1.163 1137 F CB 0.821 39.819 39.000 -0.002 0.000 1.129 1137 F HN 0.297 nan 8.300 nan 0.000 0.516 1138 Q N 2.182 122.026 119.800 0.074 0.000 2.369 1138 Q HA 0.026 4.361 4.340 -0.008 0.000 0.295 1138 Q C -0.884 175.161 176.000 0.074 0.000 1.075 1138 Q CA -0.234 55.596 55.803 0.046 0.000 0.941 1138 Q CB 0.525 29.261 28.738 -0.004 0.000 1.260 1138 Q HN 0.462 nan 8.270 nan 0.000 0.417 1139 D N 1.984 122.415 120.400 0.051 0.000 2.339 1139 D HA 0.008 4.643 4.640 -0.008 0.000 0.256 1139 D C 0.719 177.041 176.300 0.037 0.000 1.214 1139 D CA 0.561 54.589 54.000 0.046 0.000 0.877 1139 D CB 1.045 41.864 40.800 0.031 0.000 1.111 1139 D HN 0.940 nan 8.370 nan 0.000 0.478 1140 E N 1.480 121.707 120.200 0.044 0.000 4.666 1140 E HA -0.249 4.096 4.350 -0.008 0.000 0.159 1140 E C 1.531 178.153 176.600 0.036 0.000 1.083 1140 E CA 1.271 57.692 56.400 0.035 0.000 2.496 1140 E CB -1.500 28.214 29.700 0.024 0.000 1.689 1140 E HN 0.562 nan 8.360 nan 0.000 0.531 1141 G N 0.555 109.372 108.800 0.029 0.000 2.469 1141 G HA2 -0.031 3.924 3.960 -0.008 0.000 0.220 1141 G HA3 -0.031 3.924 3.960 -0.008 0.000 0.220 1141 G C 1.050 175.968 174.900 0.030 0.000 1.136 1141 G CA 1.320 46.432 45.100 0.021 0.000 0.759 1141 G HN 0.744 nan 8.290 nan 0.000 0.562 1142 A N -0.297 122.555 122.820 0.053 0.000 2.965 1142 A HA 0.599 4.914 4.320 -0.008 0.000 0.304 1142 A C 1.244 178.908 177.584 0.133 0.000 1.214 1142 A CA 0.077 52.163 52.037 0.082 0.000 0.977 1142 A CB 0.231 19.267 19.000 0.060 0.000 1.127 1142 A HN 0.171 nan 8.150 nan 0.000 0.572 1143 E N 1.415 121.668 120.200 0.089 0.000 2.085 1143 E HA -0.133 4.212 4.350 -0.008 0.000 0.194 1143 E C -0.461 176.182 176.600 0.073 0.000 0.994 1143 E CA 2.348 58.793 56.400 0.075 0.000 0.801 1143 E CB -0.573 29.155 29.700 0.046 0.000 0.743 1143 E HN 0.558 nan 8.360 nan 0.000 0.453 1144 P HA -0.184 nan 4.420 nan 0.000 0.216 1144 P C 1.665 179.014 177.300 0.082 0.000 1.153 1144 P CA 1.131 64.267 63.100 0.060 0.000 0.848 1144 P CB 0.068 31.798 31.700 0.049 0.000 0.787 1145 L N -0.234 121.064 121.223 0.125 0.000 1.994 1145 L HA -0.163 4.172 4.340 -0.008 0.000 0.208 1145 L C 2.721 179.697 176.870 0.177 0.000 1.071 1145 L CA 1.940 56.889 54.840 0.183 0.000 0.745 1145 L CB -0.543 41.680 42.059 0.273 0.000 0.892 1145 L HN -0.075 nan 8.230 nan 0.000 0.431 1146 K N -0.475 120.029 120.400 0.174 0.000 2.052 1146 K HA -0.293 4.022 4.320 -0.008 0.000 0.215 1146 K C 1.993 178.572 176.600 -0.035 0.000 1.053 1146 K CA 2.196 58.475 56.287 -0.014 0.000 0.934 1146 K CB -0.259 32.235 32.500 -0.010 0.000 0.717 1146 K HN 0.523 nan 8.250 nan 0.000 0.450 1147 Q N 0.138 119.943 119.800 0.008 0.000 2.124 1147 Q HA -0.146 4.189 4.340 -0.008 0.000 0.202 1147 Q C 2.142 178.149 176.000 0.011 0.000 0.977 1147 Q CA 1.212 57.016 55.803 0.003 0.000 0.850 1147 Q CB -0.172 28.574 28.738 0.013 0.000 0.901 1147 Q HN 0.304 nan 8.270 nan 0.000 0.429 1148 R N 0.098 120.618 120.500 0.033 0.000 2.148 1148 R HA -0.065 4.270 4.340 -0.008 0.000 0.227 1148 R C 2.207 178.533 176.300 0.043 0.000 1.103 1148 R CA 0.917 57.041 56.100 0.040 0.000 0.983 1148 R CB -0.078 30.257 30.300 0.058 0.000 0.874 1148 R HN 0.081 nan 8.270 nan 0.000 0.451 1149 V N 1.165 121.098 119.914 0.032 0.000 2.591 1149 V HA -0.140 3.975 4.120 -0.008 0.000 0.249 1149 V C 1.904 177.996 176.094 -0.003 0.000 1.053 1149 V CA 1.549 63.860 62.300 0.018 0.000 1.068 1149 V CB -0.234 31.555 31.823 -0.057 0.000 0.689 1149 V HN 0.323 nan 8.190 nan 0.000 0.462 1150 E N 0.772 120.956 120.200 -0.027 0.000 2.107 1150 E HA -0.088 4.257 4.350 -0.008 0.000 0.191 1150 E C 2.308 178.913 176.600 0.008 0.000 0.982 1150 E CA 1.161 57.549 56.400 -0.020 0.000 0.809 1150 E CB -0.234 29.445 29.700 -0.035 0.000 0.756 1150 E HN 0.570 nan 8.360 nan 0.000 0.459 1151 A N 1.335 124.162 122.820 0.011 0.000 1.969 1151 A HA -0.149 4.166 4.320 -0.008 0.000 0.218 1151 A C 2.287 179.884 177.584 0.023 0.000 1.169 1151 A CA 1.602 53.647 52.037 0.014 0.000 0.635 1151 A CB -0.369 18.637 19.000 0.010 0.000 0.810 1151 A HN 0.207 nan 8.150 nan 0.000 0.445 1152 S N -0.465 115.260 115.700 0.042 0.000 2.371 1152 S HA -0.034 4.431 4.470 -0.008 0.000 0.224 1152 S C 1.843 176.507 174.600 0.107 0.000 1.029 1152 S CA 1.114 59.356 58.200 0.070 0.000 0.978 1152 S CB -0.445 62.837 63.200 0.136 0.000 0.833 1152 S HN 0.488 nan 8.310 nan 0.000 0.466 1153 I N 1.231 121.862 120.570 0.101 0.000 2.493 1153 I HA -0.093 4.072 4.170 -0.008 0.000 0.254 1153 I C 2.362 178.525 176.117 0.077 0.000 1.160 1153 I CA 0.768 62.131 61.300 0.105 0.000 1.445 1153 I CB -0.215 37.827 38.000 0.071 0.000 1.086 1153 I HN 0.293 nan 8.210 nan 0.000 0.433 1154 S N 0.697 116.428 115.700 0.052 0.000 2.371 1154 S HA -0.098 4.367 4.470 -0.008 0.000 0.224 1154 S C 1.905 176.531 174.600 0.044 0.000 1.029 1154 S CA 0.990 59.214 58.200 0.039 0.000 0.978 1154 S CB -0.043 63.172 63.200 0.024 0.000 0.833 1154 S HN 0.408 nan 8.310 nan 0.000 0.466 1155 K N 1.759 122.179 120.400 0.034 0.000 2.097 1155 K HA 0.075 4.390 4.320 -0.008 0.000 0.205 1155 K C 2.357 178.995 176.600 0.064 0.000 1.050 1155 K CA 1.131 57.433 56.287 0.025 0.000 0.938 1155 K CB -0.293 32.191 32.500 -0.027 0.000 0.718 1155 K HN 0.309 nan 8.250 nan 0.000 0.442 1156 A N 2.061 124.927 122.820 0.077 0.000 1.898 1156 A HA -0.160 4.155 4.320 -0.008 0.000 0.216 1156 A C 2.314 180.019 177.584 0.200 0.000 1.181 1156 A CA 1.989 54.119 52.037 0.154 0.000 0.620 1156 A CB -0.650 18.500 19.000 0.249 0.000 0.819 1156 A HN 0.379 nan 8.150 nan 0.000 0.442 1157 S N -0.290 115.486 115.700 0.127 0.000 2.423 1157 S HA -0.146 4.319 4.470 -0.008 0.000 0.231 1157 S C 2.083 176.727 174.600 0.072 0.000 1.014 1157 S CA 1.504 59.755 58.200 0.084 0.000 0.965 1157 S CB -0.662 62.565 63.200 0.045 0.000 0.785 1157 S HN 0.631 nan 8.310 nan 0.000 0.495 1158 S N 1.261 117.013 115.700 0.085 0.000 2.355 1158 S HA -0.095 4.370 4.470 -0.008 0.000 0.222 1158 S C 1.560 176.208 174.600 0.079 0.000 1.031 1158 S CA 1.024 59.264 58.200 0.065 0.000 0.993 1158 S CB -0.779 62.459 63.200 0.064 0.000 0.859 1158 S HN 0.554 nan 8.310 nan 0.000 0.453 1159 F N 2.074 122.020 119.950 -0.007 0.000 2.126 1159 F HA 0.000 4.520 4.527 -0.012 0.000 0.299 1159 F C 1.873 177.673 175.800 -0.000 0.000 1.096 1159 F CA 1.617 59.614 58.000 -0.007 0.000 1.255 1159 F CB -0.399 38.596 39.000 -0.009 0.000 0.997 1159 F HN 0.217 nan 8.300 nan 0.000 0.479 1160 L N -0.212 121.035 121.223 0.040 0.000 2.056 1160 L HA -0.108 4.227 4.340 -0.008 0.000 0.207 1160 L C 2.798 179.592 176.870 -0.127 0.000 1.078 1160 L CA 1.270 56.074 54.840 -0.060 0.000 0.749 1160 L CB -1.541 40.556 42.059 0.064 0.000 0.901 1160 L HN 0.347 nan 8.230 nan 0.000 0.433 1161 G N -0.591 108.164 108.800 -0.075 0.000 2.432 1161 G HA2 -0.284 3.671 3.960 -0.008 0.000 0.219 1161 G HA3 -0.284 3.671 3.960 -0.008 0.000 0.219 1161 G C 1.474 176.311 174.900 -0.104 0.000 1.135 1161 G CA 0.734 45.790 45.100 -0.073 0.000 0.767 1161 G HN 0.448 nan 8.290 nan 0.000 0.550 1162 E N 0.202 120.315 120.200 -0.144 0.000 2.072 1162 E HA -0.112 4.233 4.350 -0.008 0.000 0.190 1162 E C 2.251 178.734 176.600 -0.196 0.000 0.982 1162 E CA 0.743 57.051 56.400 -0.155 0.000 0.803 1162 E CB 0.022 29.623 29.700 -0.165 0.000 0.755 1162 E HN 0.125 nan 8.360 nan 0.000 0.453 1163 K N 0.348 120.566 120.400 -0.304 0.000 2.097 1163 K HA -0.064 4.250 4.320 -0.008 0.000 0.205 1163 K C 2.039 178.540 176.600 -0.165 0.000 1.050 1163 K CA 1.044 57.164 56.287 -0.278 0.000 0.938 1163 K CB -0.388 31.870 32.500 -0.402 0.000 0.718 1163 K HN 0.184 nan 8.250 nan 0.000 0.442 1164 A N 0.832 123.565 122.820 -0.145 0.000 1.930 1164 A HA -0.132 4.183 4.320 -0.008 0.000 0.217 1164 A C 2.466 180.000 177.584 -0.084 0.000 1.175 1164 A CA 1.972 53.945 52.037 -0.107 0.000 0.627 1164 A CB -0.551 18.387 19.000 -0.104 0.000 0.815 1164 A HN 0.269 nan 8.150 nan 0.000 0.443 1165 S N -0.496 115.155 115.700 -0.082 0.000 2.355 1165 S HA -0.013 4.452 4.470 -0.008 0.000 0.222 1165 S C 2.208 176.775 174.600 -0.055 0.000 1.031 1165 S CA 1.307 59.471 58.200 -0.060 0.000 0.993 1165 S CB -0.434 62.733 63.200 -0.055 0.000 0.859 1165 S HN 0.803 nan 8.310 nan 0.000 0.453 1166 A N 0.213 122.992 122.820 -0.067 0.000 2.024 1166 A HA 0.182 4.497 4.320 -0.008 0.000 0.220 1166 A C 1.879 179.435 177.584 -0.046 0.000 1.164 1166 A CA 1.670 53.673 52.037 -0.056 0.000 0.643 1166 A CB -1.375 17.585 19.000 -0.067 0.000 0.806 1166 A HN 1.399 nan 8.150 nan 0.000 0.451 1167 G N -2.693 106.077 108.800 -0.051 0.000 2.153 1167 G HA2 -0.203 3.752 3.960 -0.008 0.000 0.252 1167 G HA3 -0.203 3.752 3.960 -0.008 0.000 0.252 1167 G C 0.356 175.235 174.900 -0.035 0.000 0.994 1167 G CA 0.515 45.590 45.100 -0.042 0.000 0.698 1167 G HN 0.496 nan 8.290 nan 0.000 0.521 1168 L N -0.084 121.117 121.223 -0.037 0.000 2.607 1168 L HA 0.463 4.798 4.340 -0.008 0.000 0.228 1168 L C 1.575 178.433 176.870 -0.020 0.000 1.123 1168 L CA 0.297 55.121 54.840 -0.026 0.000 0.890 1168 L CB 0.043 42.087 42.059 -0.024 0.000 1.103 1168 L HN 0.353 nan 8.230 nan 0.000 0.468 1169 L N -0.877 120.330 121.223 -0.027 0.000 2.418 1169 L HA 0.420 4.755 4.340 -0.008 0.000 0.265 1169 L C 1.162 178.031 176.870 -0.002 0.000 1.143 1169 L CA -0.332 54.498 54.840 -0.016 0.000 0.809 1169 L CB 0.420 42.458 42.059 -0.034 0.000 1.124 1169 L HN 0.156 nan 8.230 nan 0.000 0.456 1170 G N 0.181 108.994 108.800 0.021 0.000 2.588 1170 G HA2 0.391 4.346 3.960 -0.008 0.000 0.281 1170 G HA3 0.391 4.346 3.960 -0.008 0.000 0.281 1170 G C 0.853 175.777 174.900 0.041 0.000 1.236 1170 G CA 0.102 45.225 45.100 0.038 0.000 0.969 1170 G HN 0.823 nan 8.290 nan 0.000 0.504 1171 A N -0.966 121.889 122.820 0.059 0.000 1.873 1171 A HA -0.195 4.120 4.320 -0.008 0.000 0.218 1171 A C 2.088 179.705 177.584 0.054 0.000 1.193 1171 A CA 2.194 54.267 52.037 0.060 0.000 0.629 1171 A CB -1.070 17.975 19.000 0.075 0.000 0.826 1171 A HN 0.821 nan 8.150 nan 0.000 0.447 1172 H N -0.020 119.072 119.070 0.036 0.000 2.387 1172 H HA -0.031 4.526 4.556 0.002 0.000 0.299 1172 H C 2.241 177.560 175.328 -0.015 0.000 1.090 1172 H CA 1.733 57.808 56.048 0.046 0.000 1.332 1172 H CB -0.216 29.601 29.762 0.092 0.000 1.386 1172 H HN 0.406 nan 8.280 nan 0.000 0.516 1173 A N 0.969 123.843 122.820 0.091 0.000 1.930 1173 A HA -0.004 4.311 4.320 -0.008 0.000 0.217 1173 A C 2.715 180.237 177.584 -0.102 0.000 1.175 1173 A CA 1.495 53.542 52.037 0.018 0.000 0.627 1173 A CB -0.883 18.151 19.000 0.057 0.000 0.815 1173 A HN 0.553 nan 8.150 nan 0.000 0.443 1174 A N 0.001 122.755 122.820 -0.110 0.000 1.873 1174 A HA 0.189 4.504 4.320 -0.008 0.000 0.215 1174 A C 2.526 179.952 177.584 -0.262 0.000 1.186 1174 A CA 2.062 54.002 52.037 -0.163 0.000 0.616 1174 A CB -1.086 17.835 19.000 -0.132 0.000 0.823 1174 A HN 0.988 nan 8.150 nan 0.000 0.442 1175 A N -0.227 122.408 122.820 -0.309 0.000 1.858 1175 A HA -0.119 4.196 4.320 -0.008 0.000 0.216 1175 A C 2.217 179.589 177.584 -0.354 0.000 1.190 1175 A CA 1.576 53.391 52.037 -0.370 0.000 0.617 1175 A CB -0.691 18.111 19.000 -0.330 0.000 0.827 1175 A HN 0.593 nan 8.150 nan 0.000 0.443 1176 I N -0.526 119.731 120.570 -0.521 0.000 2.286 1176 I HA -0.221 3.944 4.170 -0.008 0.000 0.248 1176 I C 2.342 178.259 176.117 -0.332 0.000 1.115 1176 I CA 1.957 62.831 61.300 -0.711 0.000 1.392 1176 I CB -0.106 37.389 38.000 -0.843 0.000 1.065 1176 I HN 0.335 nan 8.210 nan 0.000 0.418 1177 T N 0.914 115.322 114.554 -0.243 0.000 2.737 1177 T HA -0.107 4.238 4.350 -0.008 0.000 0.265 1177 T C 1.953 176.543 174.700 -0.183 0.000 1.038 1177 T CA 1.309 63.312 62.100 -0.160 0.000 1.144 1177 T CB -0.377 68.413 68.868 -0.130 0.000 0.866 1177 T HN 0.540 nan 8.240 nan 0.000 0.434 1178 A N 0.858 123.518 122.820 -0.268 0.000 1.883 1178 A HA -0.139 4.176 4.320 -0.008 0.000 0.217 1178 A C 2.135 179.574 177.584 -0.241 0.000 1.186 1178 A CA 1.759 53.550 52.037 -0.411 0.000 0.624 1178 A CB -1.100 17.425 19.000 -0.793 0.000 0.822 1178 A HN 0.566 nan 8.150 nan 0.000 0.444 1179 Y N 0.765 120.924 120.300 -0.235 0.000 2.181 1179 Y HA -0.072 4.472 4.550 -0.010 0.000 0.288 1179 Y C 2.637 178.514 175.900 -0.039 0.000 1.146 1179 Y CA 0.997 59.079 58.100 -0.029 0.000 1.164 1179 Y CB -0.815 37.676 38.460 0.050 0.000 0.982 1179 Y HN 0.307 nan 8.280 nan 0.000 0.515 1180 A N 0.418 123.086 122.820 -0.253 0.000 1.908 1180 A HA -0.170 4.145 4.320 -0.008 0.000 0.218 1180 A C 2.387 179.831 177.584 -0.232 0.000 1.181 1180 A CA 1.974 53.829 52.037 -0.304 0.000 0.627 1180 A CB -1.132 17.776 19.000 -0.153 0.000 0.818 1180 A HN 0.545 nan 8.150 nan 0.000 0.445 1181 L N -1.105 120.034 121.223 -0.140 0.000 2.044 1181 L HA -0.129 4.206 4.340 -0.008 0.000 0.205 1181 L C 2.822 179.657 176.870 -0.058 0.000 1.075 1181 L CA 1.730 56.523 54.840 -0.079 0.000 0.747 1181 L CB -1.011 41.018 42.059 -0.049 0.000 0.903 1181 L HN 0.342 nan 8.230 nan 0.000 0.435 1182 T N 0.538 115.089 114.554 -0.005 0.000 2.708 1182 T HA -0.182 4.163 4.350 -0.008 0.000 0.266 1182 T C 1.930 176.593 174.700 -0.061 0.000 1.037 1182 T CA 1.035 63.181 62.100 0.076 0.000 1.146 1182 T CB -0.251 68.799 68.868 0.303 0.000 0.865 1182 T HN 0.162 nan 8.240 nan 0.000 0.435 1183 L N 2.009 123.085 121.223 -0.244 0.000 2.079 1183 L HA -0.093 4.242 4.340 -0.008 0.000 0.210 1183 L C 2.156 178.717 176.870 -0.514 0.000 1.081 1183 L CA 2.242 56.816 54.840 -0.444 0.000 0.752 1183 L CB -1.238 40.309 42.059 -0.853 0.000 0.896 1183 L HN 0.457 nan 8.230 nan 0.000 0.433 1184 T N -3.079 111.252 114.554 -0.373 0.000 3.206 1184 T HA 0.082 4.427 4.350 -0.008 0.000 0.253 1184 T C 0.595 175.267 174.700 -0.047 0.000 1.042 1184 T CA -0.505 61.480 62.100 -0.193 0.000 0.931 1184 T CB -0.142 68.666 68.868 -0.100 0.000 1.029 1184 T HN 0.255 nan 8.240 nan 0.000 0.564 1185 K N 0.764 121.136 120.400 -0.048 0.000 3.451 1185 K HA -0.131 4.184 4.320 -0.008 0.000 0.273 1185 K C 0.429 177.031 176.600 0.003 0.000 0.944 1185 K CA 0.736 57.020 56.287 -0.005 0.000 0.734 1185 K CB -2.598 29.908 32.500 0.011 0.000 1.437 1185 K HN 0.787 nan 8.250 nan 0.000 0.454 1186 A N 1.053 123.874 122.820 0.000 0.000 2.296 1186 A HA 0.466 4.781 4.320 -0.008 0.000 0.264 1186 A C -1.905 175.688 177.584 0.015 0.000 1.097 1186 A CA -1.111 50.930 52.037 0.007 0.000 0.811 1186 A CB 0.060 19.061 19.000 0.003 0.000 1.072 1186 A HN 0.103 nan 8.150 nan 0.000 0.495 1187 P HA 0.052 nan 4.420 nan 0.000 0.263 1187 P C 0.786 178.098 177.300 0.021 0.000 1.175 1187 P CA 1.013 64.121 63.100 0.014 0.000 0.761 1187 P CB 0.546 32.253 31.700 0.011 0.000 0.794 1188 A N 4.984 127.818 122.820 0.022 0.000 1.903 1188 A HA -0.279 4.036 4.320 -0.008 0.000 0.219 1188 A C 1.901 179.507 177.584 0.037 0.000 1.191 1188 A CA 2.298 54.354 52.037 0.032 0.000 0.638 1188 A CB -1.300 17.711 19.000 0.018 0.000 0.823 1188 A HN 0.688 nan 8.150 nan 0.000 0.451 1189 D N 0.242 120.657 120.400 0.024 0.000 2.123 1189 D HA -0.200 4.435 4.640 -0.008 0.000 0.196 1189 D C 1.956 178.268 176.300 0.021 0.000 0.992 1189 D CA 1.596 55.609 54.000 0.021 0.000 0.833 1189 D CB -0.708 40.099 40.800 0.012 0.000 0.954 1189 D HN 0.517 nan 8.370 nan 0.000 0.455 1190 L N 0.038 121.270 121.223 0.016 0.000 2.005 1190 L HA -0.057 4.278 4.340 -0.008 0.000 0.207 1190 L C 3.077 179.955 176.870 0.014 0.000 1.072 1190 L CA 1.021 55.864 54.840 0.006 0.000 0.744 1190 L CB -0.368 41.692 42.059 0.001 0.000 0.895 1190 L HN -0.081 nan 8.230 nan 0.000 0.433 1191 R N -0.077 120.445 120.500 0.036 0.000 2.127 1191 R HA -0.136 4.199 4.340 -0.008 0.000 0.238 1191 R C 2.282 178.636 176.300 0.091 0.000 1.134 1191 R CA 1.217 57.357 56.100 0.067 0.000 0.975 1191 R CB -0.605 29.765 30.300 0.117 0.000 0.865 1191 R HN 0.461 nan 8.270 nan 0.000 0.447 1192 G N 0.150 109.004 108.800 0.091 0.000 2.402 1192 G HA2 -0.175 3.780 3.960 -0.008 0.000 0.216 1192 G HA3 -0.175 3.780 3.960 -0.008 0.000 0.216 1192 G C 1.417 176.368 174.900 0.085 0.000 1.162 1192 G CA 0.451 45.613 45.100 0.103 0.000 0.777 1192 G HN 0.127 nan 8.290 nan 0.000 0.539 1193 V N 1.440 121.379 119.914 0.041 0.000 2.515 1193 V HA -0.065 4.050 4.120 -0.008 0.000 0.250 1193 V C 3.244 179.332 176.094 -0.010 0.000 1.058 1193 V CA 1.841 64.151 62.300 0.016 0.000 1.064 1193 V CB -0.562 31.257 31.823 -0.006 0.000 0.675 1193 V HN 0.459 nan 8.190 nan 0.000 0.461 1194 A N -0.854 121.948 122.820 -0.030 0.000 1.929 1194 A HA -0.232 4.083 4.320 -0.008 0.000 0.216 1194 A C 2.249 179.755 177.584 -0.130 0.000 1.176 1194 A CA 1.647 53.624 52.037 -0.099 0.000 0.628 1194 A CB -0.766 18.153 19.000 -0.135 0.000 0.816 1194 A HN 0.687 nan 8.150 nan 0.000 0.444 1195 H N 0.451 119.419 119.070 -0.171 0.000 2.299 1195 H HA -0.098 4.454 4.556 -0.007 0.000 0.302 1195 H C 1.863 177.157 175.328 -0.056 0.000 1.078 1195 H CA 2.001 57.962 56.048 -0.146 0.000 1.323 1195 H CB -0.302 29.329 29.762 -0.219 0.000 1.381 1195 H HN 0.600 nan 8.280 nan 0.000 0.498 1196 N N 0.356 119.107 118.700 0.084 0.000 2.069 1196 N HA -0.193 4.542 4.740 -0.008 0.000 0.191 1196 N C 1.901 177.386 175.510 -0.042 0.000 1.031 1196 N CA 1.250 54.323 53.050 0.039 0.000 0.852 1196 N CB -0.177 38.364 38.487 0.090 0.000 1.018 1196 N HN 0.356 nan 8.380 nan 0.000 0.423 1197 N N 0.712 119.383 118.700 -0.048 0.000 2.205 1197 N HA -0.074 4.661 4.740 -0.008 0.000 0.186 1197 N C 0.434 175.901 175.510 -0.072 0.000 1.015 1197 N CA 0.538 53.554 53.050 -0.058 0.000 0.862 1197 N CB 0.008 38.455 38.487 -0.066 0.000 0.986 1197 N HN 0.157 nan 8.380 nan 0.000 0.429 1203 Q N 0.927 119.964 119.800 -1.271 0.000 2.454 1203 Q HA 0.411 4.746 4.340 -0.008 0.000 0.255 1203 Q C -0.683 174.805 176.000 -0.854 0.000 1.034 1203 Q CA 0.038 55.200 55.803 -1.069 0.000 0.736 1203 Q CB 1.141 28.893 28.738 -1.643 0.000 1.210 1203 Q HN 0.664 nan 8.270 nan 0.000 0.500 1204 E N 2.705 122.608 120.200 -0.495 0.000 2.127 1204 E HA 0.126 4.471 4.350 -0.008 0.000 0.262 1204 E C -0.874 175.637 176.600 -0.148 0.000 1.144 1204 E CA -0.171 56.057 56.400 -0.286 0.000 1.144 1204 E CB 0.205 29.778 29.700 -0.211 0.000 1.297 1204 E HN 0.568 nan 8.360 nan 0.000 0.469 1205 T N 0.473 114.985 114.554 -0.070 0.000 3.281 1205 T HA 0.621 4.966 4.350 -0.008 0.000 0.359 1205 T C 0.518 175.276 174.700 0.096 0.000 1.459 1205 T CA -0.060 62.063 62.100 0.037 0.000 1.114 1205 T CB 0.988 69.924 68.868 0.114 0.000 1.162 1205 T HN 0.488 nan 8.240 nan 0.000 0.665 1206 G N 1.977 110.810 108.800 0.055 0.000 2.384 1206 G HA2 -0.117 3.838 3.960 -0.008 0.000 0.204 1206 G HA3 -0.117 3.838 3.960 -0.008 0.000 0.204 1206 G C -0.638 174.297 174.900 0.059 0.000 1.237 1206 G CA -0.340 44.801 45.100 0.068 0.000 1.060 1206 G HN 0.500 nan 8.290 nan 0.000 0.514 1207 D N 1.383 121.825 120.400 0.071 0.000 2.690 1207 D HA 0.168 4.803 4.640 -0.008 0.000 0.236 1207 D C -0.161 176.197 176.300 0.097 0.000 1.218 1207 D CA -0.068 53.971 54.000 0.064 0.000 0.829 1207 D CB -0.687 40.148 40.800 0.058 0.000 1.009 1207 D HN 0.271 nan 8.370 nan 0.000 0.482 1208 N N 0.859 119.633 118.700 0.123 0.000 2.354 1208 N HA 0.312 5.047 4.740 -0.008 0.000 0.287 1208 N C -0.880 174.677 175.510 0.079 0.000 1.016 1208 N CA -0.430 52.740 53.050 0.200 0.000 0.871 1208 N CB 2.358 41.086 38.487 0.401 0.000 1.299 1208 N HN 0.199 nan 8.380 nan 0.000 0.482 1209 L N 3.324 124.553 121.223 0.009 0.000 2.317 1209 L HA 0.572 4.907 4.340 -0.008 0.000 0.281 1209 L C -1.174 175.470 176.870 -0.376 0.000 1.024 1209 L CA -0.766 53.922 54.840 -0.252 0.000 0.810 1209 L CB 0.886 42.823 42.059 -0.202 0.000 1.240 1209 L HN 0.682 nan 8.230 nan 0.000 0.427 1210 Y N 1.906 121.649 120.300 -0.928 0.000 2.702 1210 Y HA 0.512 5.055 4.550 -0.013 0.000 0.336 1210 Y C -2.059 173.268 175.900 -0.954 0.000 1.203 1210 Y CA -1.547 55.958 58.100 -0.991 0.000 1.072 1210 Y CB 0.958 38.273 38.460 -1.907 0.000 1.327 1210 Y HN 0.409 nan 8.280 nan 0.000 0.456 1211 W N 1.201 122.207 121.300 -0.489 0.000 2.799 1211 W HA 0.673 5.324 4.660 -0.014 0.000 0.349 1211 W C -0.052 176.175 176.519 -0.488 0.000 1.100 1211 W CA -0.627 56.436 57.345 -0.469 0.000 1.174 1211 W CB 2.114 31.418 29.460 -0.260 0.000 1.427 1211 W HN 1.160 nan 8.180 nan 0.000 0.547 1238 A N 2.830 125.525 122.820 -0.209 0.000 2.440 1238 A HA 0.626 4.941 4.320 -0.008 0.000 0.251 1238 A C -2.153 175.292 177.584 -0.232 0.000 1.089 1238 A CA -0.528 51.402 52.037 -0.178 0.000 0.779 1238 A CB -0.041 19.049 19.000 0.150 0.000 1.022 1238 A HN 0.428 nan 8.150 nan 0.000 0.492 1239 P HA 0.123 nan 4.420 nan 0.000 0.269 1239 P C 0.872 178.120 177.300 -0.087 0.000 1.209 1239 P CA 0.538 63.440 63.100 -0.330 0.000 0.776 1239 P CB 0.980 32.363 31.700 -0.527 0.000 0.876 1240 A N 3.882 126.693 122.820 -0.015 0.000 1.940 1240 A HA -0.218 4.097 4.320 -0.008 0.000 0.221 1240 A C 2.195 179.887 177.584 0.181 0.000 1.190 1240 A CA 1.736 53.825 52.037 0.087 0.000 0.647 1240 A CB -1.563 17.463 19.000 0.043 0.000 0.821 1240 A HN 0.683 nan 8.150 nan 0.000 0.457 1241 L N -1.568 119.757 121.223 0.170 0.000 2.013 1241 L HA -0.250 4.085 4.340 -0.008 0.000 0.212 1241 L C 2.530 179.724 176.870 0.541 0.000 1.073 1241 L CA 2.305 57.328 54.840 0.305 0.000 0.753 1241 L CB -0.447 41.789 42.059 0.296 0.000 0.890 1241 L HN 0.673 nan 8.230 nan 0.000 0.432 1242 W N 0.236 121.695 121.300 0.265 0.000 2.381 1242 W HA -0.130 4.516 4.660 -0.023 0.000 0.301 1242 W C 2.477 179.261 176.519 0.441 0.000 1.205 1242 W CA 0.566 58.126 57.345 0.359 0.000 1.285 1242 W CB -0.949 28.768 29.460 0.428 0.000 1.133 1242 W HN 0.138 nan 8.180 nan 0.000 0.521 1243 I N -0.140 120.827 120.570 0.663 0.000 2.226 1243 I HA -0.274 3.891 4.170 -0.008 0.000 0.245 1243 I C 2.439 178.751 176.117 0.324 0.000 1.100 1243 I CA 1.739 63.361 61.300 0.537 0.000 1.374 1243 I CB -0.617 37.607 38.000 0.374 0.000 1.057 1243 I HN 0.027 nan 8.210 nan 0.000 0.413 1244 E N 0.731 121.096 120.200 0.276 0.000 2.047 1244 E HA -0.197 4.148 4.350 -0.008 0.000 0.191 1244 E C 2.111 178.859 176.600 0.247 0.000 0.987 1244 E CA 1.875 58.391 56.400 0.194 0.000 0.799 1244 E CB 0.080 29.951 29.700 0.286 0.000 0.752 1244 E HN 0.384 nan 8.360 nan 0.000 0.449 1245 T N 0.092 114.862 114.554 0.359 0.000 2.746 1245 T HA -0.129 4.216 4.350 -0.008 0.000 0.267 1245 T C 1.870 176.657 174.700 0.145 0.000 1.039 1245 T CA 1.775 64.031 62.100 0.260 0.000 1.142 1245 T CB -0.422 68.614 68.868 0.279 0.000 0.866 1245 T HN 0.217 nan 8.240 nan 0.000 0.444 1246 T N 1.805 116.512 114.554 0.254 0.000 2.821 1246 T HA 0.066 4.411 4.350 -0.008 0.000 0.267 1246 T C 2.398 177.178 174.700 0.133 0.000 1.046 1246 T CA 0.987 63.246 62.100 0.266 0.000 1.139 1246 T CB -0.452 68.664 68.868 0.415 0.000 0.871 1246 T HN 0.418 nan 8.240 nan 0.000 0.454 1247 A N 0.295 123.172 122.820 0.095 0.000 1.972 1247 A HA -0.070 4.245 4.320 -0.008 0.000 0.219 1247 A C 2.005 179.492 177.584 -0.160 0.000 1.169 1247 A CA 1.242 53.250 52.037 -0.049 0.000 0.635 1247 A CB -0.844 18.059 19.000 -0.161 0.000 0.810 1247 A HN 0.496 nan 8.150 nan 0.000 0.446 1248 Y N -0.217 119.999 120.300 -0.139 0.000 2.263 1248 Y HA -0.002 4.541 4.550 -0.012 0.000 0.292 1248 Y C 2.882 178.629 175.900 -0.256 0.000 1.130 1248 Y CA 0.471 58.429 58.100 -0.237 0.000 1.179 1248 Y CB -0.655 37.691 38.460 -0.189 0.000 0.998 1248 Y HN 0.324 nan 8.280 nan 0.000 0.532 1249 A N -0.437 122.280 122.820 -0.172 0.000 1.933 1249 A HA -0.181 4.134 4.320 -0.008 0.000 0.218 1249 A C 2.195 179.695 177.584 -0.140 0.000 1.175 1249 A CA 1.656 53.458 52.037 -0.392 0.000 0.628 1249 A CB -1.038 17.253 19.000 -1.182 0.000 0.814 1249 A HN 0.409 nan 8.150 nan 0.000 0.444 1250 L N -0.140 121.042 121.223 -0.067 0.000 2.027 1250 L HA -0.071 4.264 4.340 -0.008 0.000 0.206 1250 L C 2.251 179.141 176.870 0.033 0.000 1.074 1250 L CA 1.667 56.529 54.840 0.036 0.000 0.745 1250 L CB -0.615 41.485 42.059 0.068 0.000 0.898 1250 L HN 0.397 nan 8.230 nan 0.000 0.433 1251 L N -0.754 120.422 121.223 -0.078 0.000 2.127 1251 L HA -0.279 4.056 4.340 -0.008 0.000 0.211 1251 L C 2.658 179.580 176.870 0.086 0.000 1.089 1251 L CA 1.613 56.368 54.840 -0.141 0.000 0.757 1251 L CB -0.916 40.721 42.059 -0.702 0.000 0.899 1251 L HN 0.571 nan 8.230 nan 0.000 0.434 1252 H N 0.672 119.773 119.070 0.053 0.000 2.276 1252 H HA -0.139 4.413 4.556 -0.007 0.000 0.301 1252 H C 2.391 177.830 175.328 0.185 0.000 1.073 1252 H CA 1.588 57.746 56.048 0.183 0.000 1.311 1252 H CB 0.048 29.854 29.762 0.074 0.000 1.379 1252 H HN 0.218 nan 8.280 nan 0.000 0.494 1253 L N 0.774 121.945 121.223 -0.087 0.000 2.013 1253 L HA -0.256 4.079 4.340 -0.008 0.000 0.212 1253 L C 2.968 179.857 176.870 0.032 0.000 1.073 1253 L CA 1.166 55.977 54.840 -0.049 0.000 0.753 1253 L CB -0.482 41.635 42.059 0.096 0.000 0.890 1253 L HN 0.317 nan 8.230 nan 0.000 0.432 1254 L N -0.826 120.446 121.223 0.082 0.000 2.265 1254 L HA -0.205 4.130 4.340 -0.008 0.000 0.215 1254 L C 2.151 179.064 176.870 0.072 0.000 1.117 1254 L CA 0.975 55.873 54.840 0.096 0.000 0.782 1254 L CB -0.265 41.873 42.059 0.130 0.000 0.914 1254 L HN 0.340 nan 8.230 nan 0.000 0.441 1255 L N -2.202 119.069 121.223 0.080 0.000 2.556 1255 L HA -0.002 4.333 4.340 -0.008 0.000 0.226 1255 L C 2.148 179.043 176.870 0.041 0.000 1.089 1255 L CA 0.040 54.929 54.840 0.082 0.000 0.864 1255 L CB -0.013 42.140 42.059 0.157 0.000 1.067 1255 L HN 0.187 nan 8.230 nan 0.000 0.477 1256 H N 0.296 119.283 119.070 -0.137 0.000 2.418 1256 H HA -0.033 4.519 4.556 -0.007 0.000 0.300 1256 H C 1.867 177.113 175.328 -0.136 0.000 1.041 1256 H CA 1.666 57.597 56.048 -0.196 0.000 1.364 1256 H CB 0.675 30.155 29.762 -0.469 0.000 1.439 1256 H HN 0.404 nan 8.280 nan 0.000 0.540 1257 E N -2.894 117.259 120.200 -0.079 0.000 2.475 1257 E HA 0.326 4.671 4.350 -0.008 0.000 0.205 1257 E C 1.343 177.924 176.600 -0.031 0.000 0.822 1257 E CA 0.502 56.852 56.400 -0.083 0.000 1.240 1257 E CB 1.170 30.872 29.700 0.003 0.000 1.222 1257 E HN 0.363 nan 8.360 nan 0.000 0.581 1258 G N 1.138 109.945 108.800 0.011 0.000 2.483 1258 G HA2 0.048 4.003 3.960 -0.008 0.000 0.196 1258 G HA3 0.048 4.003 3.960 -0.008 0.000 0.196 1258 G C 0.178 175.100 174.900 0.038 0.000 2.335 1258 G CA 0.073 45.182 45.100 0.015 0.000 1.576 1258 G HN 0.673 nan 8.290 nan 0.000 0.499 1259 K N -0.473 119.950 120.400 0.038 0.000 3.072 1259 K HA 0.975 5.290 4.320 -0.008 0.000 0.216 1259 K C -0.027 176.614 176.600 0.069 0.000 1.253 1259 K CA 1.060 57.382 56.287 0.059 0.000 0.891 1259 K CB 0.495 32.973 32.500 -0.036 0.000 1.224 1259 K HN 2.095 nan 8.250 nan 0.000 0.570 1260 A N 0.148 123.027 122.820 0.099 0.000 3.068 1260 A HA 0.831 5.146 4.320 -0.008 0.000 0.229 1260 A C 0.402 178.051 177.584 0.108 0.000 1.561 1260 A CA -0.380 51.709 52.037 0.086 0.000 0.876 1260 A CB 0.194 19.243 19.000 0.082 0.000 1.700 1260 A HN 0.641 nan 8.150 nan 0.000 0.535 1264 D N 0.732 121.263 120.400 0.218 0.000 2.162 1264 D HA -0.061 4.574 4.640 -0.008 0.000 0.203 1264 D C 1.897 178.251 176.300 0.091 0.000 0.967 1264 D CA 1.455 55.553 54.000 0.163 0.000 0.840 1264 D CB -0.240 40.680 40.800 0.201 0.000 0.972 1264 D HN 0.675 nan 8.370 nan 0.000 0.482 1265 Q N 0.649 120.515 119.800 0.110 0.000 2.124 1265 Q HA -0.058 4.277 4.340 -0.008 0.000 0.202 1265 Q C 2.126 178.214 176.000 0.147 0.000 0.977 1265 Q CA 1.505 57.372 55.803 0.107 0.000 0.850 1265 Q CB -0.070 28.711 28.738 0.072 0.000 0.901 1265 Q HN 0.211 nan 8.270 nan 0.000 0.429 1266 A N 0.081 122.998 122.820 0.161 0.000 1.930 1266 A HA -0.076 4.239 4.320 -0.008 0.000 0.215 1266 A C 2.105 179.825 177.584 0.226 0.000 1.176 1266 A CA 1.190 53.374 52.037 0.245 0.000 0.632 1266 A CB -0.414 18.782 19.000 0.326 0.000 0.819 1266 A HN 0.256 nan 8.150 nan 0.000 0.445 1267 S N -0.638 115.080 115.700 0.029 0.000 2.474 1267 S HA 0.090 4.555 4.470 -0.008 0.000 0.235 1267 S C 1.829 176.400 174.600 -0.049 0.000 0.997 1267 S CA 1.223 59.321 58.200 -0.170 0.000 0.949 1267 S CB -0.282 62.395 63.200 -0.872 0.000 0.766 1267 S HN 0.711 nan 8.310 nan 0.000 0.517 1268 A N -0.750 122.105 122.820 0.058 0.000 1.997 1268 A HA 0.152 4.467 4.320 -0.008 0.000 0.212 1268 A C 1.690 179.363 177.584 0.148 0.000 1.178 1268 A CA 0.437 52.526 52.037 0.086 0.000 0.698 1268 A CB -0.831 18.224 19.000 0.091 0.000 0.842 1268 A HN 0.779 nan 8.150 nan 0.000 0.458 1269 W N 1.573 122.905 121.300 0.053 0.000 2.381 1269 W HA -0.110 4.542 4.660 -0.013 0.000 0.301 1269 W C 1.830 178.411 176.519 0.104 0.000 1.205 1269 W CA 1.861 59.254 57.345 0.080 0.000 1.285 1269 W CB 0.006 29.546 29.460 0.134 0.000 1.133 1269 W HN 0.301 nan 8.180 nan 0.000 0.521 1270 L N -1.451 119.985 121.223 0.355 0.000 2.418 1270 L HA 0.088 4.423 4.340 -0.008 0.000 0.218 1270 L C 1.780 178.720 176.870 0.117 0.000 1.125 1270 L CA 1.562 56.526 54.840 0.207 0.000 0.835 1270 L CB -1.277 41.040 42.059 0.429 0.000 0.953 1270 L HN -0.193 nan 8.230 nan 0.000 0.454 1271 T N 0.531 115.125 114.554 0.067 0.000 2.857 1271 T HA -0.021 4.324 4.350 -0.008 0.000 0.266 1271 T C 2.009 176.634 174.700 -0.125 0.000 1.048 1271 T CA 1.301 63.414 62.100 0.021 0.000 1.139 1271 T CB -0.073 68.814 68.868 0.032 0.000 0.874 1271 T HN 0.447 nan 8.240 nan 0.000 0.455 1272 R N 0.633 121.009 120.500 -0.207 0.000 2.148 1272 R HA 0.053 4.388 4.340 -0.008 0.000 0.223 1272 R C 2.505 178.524 176.300 -0.469 0.000 1.088 1272 R CA 0.683 56.565 56.100 -0.365 0.000 0.985 1272 R CB -0.065 30.015 30.300 -0.367 0.000 0.880 1272 R HN 0.377 nan 8.270 nan 0.000 0.451 1273 Q N -0.209 119.374 119.800 -0.362 0.000 2.123 1273 Q HA -0.018 4.317 4.340 -0.008 0.000 0.199 1273 Q C 2.056 177.925 176.000 -0.219 0.000 0.966 1273 Q CA 1.546 57.236 55.803 -0.188 0.000 0.845 1273 Q CB -0.193 28.376 28.738 -0.282 0.000 0.907 1273 Q HN 0.429 nan 8.270 nan 0.000 0.439 1274 G N -0.187 108.346 108.800 -0.445 0.000 2.920 1274 G HA2 -0.038 3.917 3.960 -0.008 0.000 0.208 1274 G HA3 -0.038 3.917 3.960 -0.008 0.000 0.208 1274 G C 1.346 175.873 174.900 -0.621 0.000 1.159 1274 G CA 0.285 44.701 45.100 -1.140 0.000 0.784 1274 G HN 0.216 nan 8.290 nan 0.000 0.535 1275 S N 0.185 115.645 115.700 -0.400 0.000 2.458 1275 S HA 0.247 4.712 4.470 -0.008 0.000 0.223 1275 S C 0.637 175.085 174.600 -0.253 0.000 1.019 1275 S CA -0.513 57.496 58.200 -0.319 0.000 0.937 1275 S CB -0.069 62.938 63.200 -0.322 0.000 0.788 1275 S HN 0.240 nan 8.310 nan 0.000 0.511 1276 F N 2.902 122.701 119.950 -0.252 0.000 2.650 1276 F HA 0.027 4.551 4.527 -0.006 0.000 0.355 1276 F C 1.116 176.806 175.800 -0.185 0.000 1.163 1276 F CA -0.131 57.749 58.000 -0.200 0.000 1.374 1276 F CB 0.248 39.125 39.000 -0.204 0.000 1.065 1276 F HN 0.028 nan 8.300 nan 0.000 0.616 1277 Q N 1.919 121.790 119.800 0.119 0.000 2.275 1277 Q HA 0.165 4.500 4.340 -0.008 0.000 0.293 1277 Q C 0.893 176.878 176.000 -0.025 0.000 1.129 1277 Q CA 1.067 56.878 55.803 0.013 0.000 0.971 1277 Q CB -0.070 28.674 28.738 0.010 0.000 1.098 1277 Q HN 0.920 nan 8.270 nan 0.000 0.386 1278 G N 2.859 111.627 108.800 -0.054 0.000 2.201 1278 G HA2 -0.155 3.800 3.960 -0.008 0.000 0.212 1278 G HA3 -0.155 3.800 3.960 -0.008 0.000 0.212 1278 G C 0.684 175.523 174.900 -0.101 0.000 0.994 1278 G CA 0.173 45.235 45.100 -0.063 0.000 0.644 1278 G HN 1.477 nan 8.290 nan 0.000 0.508 1279 G N -0.266 108.429 108.800 -0.174 0.000 2.552 1279 G HA2 0.010 3.965 3.960 -0.008 0.000 0.265 1279 G HA3 0.010 3.965 3.960 -0.008 0.000 0.265 1279 G C 0.295 174.970 174.900 -0.374 0.000 1.234 1279 G CA 0.125 45.001 45.100 -0.375 0.000 0.944 1279 G HN 1.261 nan 8.290 nan 0.000 0.568 1280 F N 1.342 121.278 119.950 -0.023 0.000 2.444 1280 F HA 0.493 5.014 4.527 -0.011 0.000 0.331 1280 F C 1.799 177.588 175.800 -0.019 0.000 1.167 1280 F CA 0.537 58.528 58.000 -0.015 0.000 1.262 1280 F CB 0.719 39.713 39.000 -0.009 0.000 1.196 1280 F HN 0.522 nan 8.300 nan 0.000 0.583 1281 R N 0.448 121.045 120.500 0.161 0.000 3.130 1281 R HA 0.601 4.936 4.340 -0.008 0.000 0.348 1281 R C -0.638 175.691 176.300 0.048 0.000 1.241 1281 R CA -0.276 55.862 56.100 0.063 0.000 1.141 1281 R CB 0.734 31.035 30.300 0.001 0.000 1.453 1281 R HN 0.560 nan 8.270 nan 0.000 0.590 1282 S N -1.309 114.432 115.700 0.068 0.000 2.703 1282 S HA 0.027 4.492 4.470 -0.008 0.000 0.270 1282 S C 0.423 175.049 174.600 0.045 0.000 0.972 1282 S CA -0.338 57.880 58.200 0.031 0.000 0.949 1282 S CB 0.426 63.630 63.200 0.006 0.000 1.209 1282 S HN 0.246 nan 8.310 nan 0.000 0.464 1283 T N 2.075 116.643 114.554 0.024 0.000 2.588 1283 T HA -0.125 4.220 4.350 -0.008 0.000 0.261 1283 T C 1.758 176.507 174.700 0.081 0.000 1.069 1283 T CA 1.739 63.876 62.100 0.062 0.000 1.172 1283 T CB -0.506 68.395 68.868 0.057 0.000 0.863 1283 T HN 0.521 nan 8.240 nan 0.000 0.408 1284 Q N 1.370 121.203 119.800 0.055 0.000 2.002 1284 Q HA -0.138 4.197 4.340 -0.008 0.000 0.204 1284 Q C 2.357 178.376 176.000 0.032 0.000 0.988 1284 Q CA 1.770 57.623 55.803 0.083 0.000 0.843 1284 Q CB -0.906 27.896 28.738 0.107 0.000 0.908 1284 Q HN 0.761 nan 8.270 nan 0.000 0.420 1285 D N -0.474 119.942 120.400 0.026 0.000 2.149 1285 D HA -0.150 4.485 4.640 -0.008 0.000 0.198 1285 D C 1.605 177.780 176.300 -0.208 0.000 0.990 1285 D CA 1.737 55.718 54.000 -0.030 0.000 0.839 1285 D CB -0.616 40.224 40.800 0.067 0.000 0.948 1285 D HN 0.132 nan 8.370 nan 0.000 0.460 1286 T N 0.684 115.177 114.554 -0.103 0.000 2.701 1286 T HA -0.077 4.268 4.350 -0.008 0.000 0.263 1286 T C 2.280 176.864 174.700 -0.194 0.000 1.040 1286 T CA 1.522 63.531 62.100 -0.151 0.000 1.147 1286 T CB -0.400 68.523 68.868 0.090 0.000 0.865 1286 T HN 0.034 nan 8.240 nan 0.000 0.426 1287 V N 1.272 121.155 119.914 -0.051 0.000 2.233 1287 V HA -0.148 3.967 4.120 -0.008 0.000 0.247 1287 V C 2.409 178.450 176.094 -0.088 0.000 1.050 1287 V CA 1.556 63.851 62.300 -0.008 0.000 1.010 1287 V CB -0.583 31.315 31.823 0.126 0.000 0.637 1287 V HN 0.357 nan 8.190 nan 0.000 0.444 1288 I N 0.687 121.168 120.570 -0.148 0.000 2.286 1288 I HA -0.170 3.995 4.170 -0.008 0.000 0.248 1288 I C 2.507 178.449 176.117 -0.292 0.000 1.115 1288 I CA 1.593 62.727 61.300 -0.278 0.000 1.392 1288 I CB -1.044 36.629 38.000 -0.546 0.000 1.065 1288 I HN 0.213 nan 8.210 nan 0.000 0.418 1289 A N 0.137 122.736 122.820 -0.368 0.000 1.902 1289 A HA -0.130 4.185 4.320 -0.008 0.000 0.217 1289 A C 2.328 179.750 177.584 -0.270 0.000 1.181 1289 A CA 1.394 53.168 52.037 -0.438 0.000 0.623 1289 A CB -0.881 17.490 19.000 -1.049 0.000 0.818 1289 A HN 0.391 nan 8.150 nan 0.000 0.443 1290 L N -0.537 120.540 121.223 -0.243 0.000 2.093 1290 L HA -0.167 4.168 4.340 -0.008 0.000 0.208 1290 L C 1.962 178.914 176.870 0.138 0.000 1.085 1290 L CA 1.265 56.110 54.840 0.008 0.000 0.755 1290 L CB -0.596 41.462 42.059 -0.001 0.000 0.904 1290 L HN 0.319 nan 8.230 nan 0.000 0.435 1291 D N 0.192 120.608 120.400 0.027 0.000 2.144 1291 D HA -0.127 4.508 4.640 -0.008 0.000 0.200 1291 D C 2.217 178.547 176.300 0.049 0.000 0.978 1291 D CA 1.422 55.447 54.000 0.042 0.000 0.833 1291 D CB 0.024 40.820 40.800 -0.007 0.000 0.961 1291 D HN 0.295 nan 8.370 nan 0.000 0.470 1292 A N 1.022 123.842 122.820 0.000 0.000 1.858 1292 A HA -0.111 4.204 4.320 -0.008 0.000 0.216 1292 A C 2.386 180.066 177.584 0.161 0.000 1.190 1292 A CA 0.916 52.973 52.037 0.032 0.000 0.617 1292 A CB -0.862 18.121 19.000 -0.028 0.000 0.827 1292 A HN 0.193 nan 8.150 nan 0.000 0.443 1293 L N 0.489 121.833 121.223 0.202 0.000 2.191 1293 L HA -0.161 4.174 4.340 -0.008 0.000 0.212 1293 L C 2.961 180.033 176.870 0.336 0.000 1.103 1293 L CA 1.563 56.603 54.840 0.333 0.000 0.769 1293 L CB -0.532 41.771 42.059 0.408 0.000 0.908 1293 L HN 0.661 nan 8.230 nan 0.000 0.438 1294 S N 0.116 115.931 115.700 0.192 0.000 2.395 1294 S HA -0.063 4.402 4.470 -0.008 0.000 0.225 1294 S C 2.158 176.819 174.600 0.102 0.000 1.027 1294 S CA 0.671 58.826 58.200 -0.076 0.000 0.965 1294 S CB -0.097 63.017 63.200 -0.143 0.000 0.812 1294 S HN 0.310 nan 8.310 nan 0.000 0.482 1295 A N 0.370 123.280 122.820 0.150 0.000 1.969 1295 A HA 0.052 4.367 4.320 -0.008 0.000 0.218 1295 A C 2.034 179.740 177.584 0.204 0.000 1.169 1295 A CA 1.305 53.435 52.037 0.156 0.000 0.635 1295 A CB -1.153 17.928 19.000 0.135 0.000 0.810 1295 A HN 0.735 nan 8.150 nan 0.000 0.445 1296 Y N -1.514 118.878 120.300 0.152 0.000 2.163 1296 Y HA -0.194 4.352 4.550 -0.007 0.000 0.288 1296 Y C 2.100 178.133 175.900 0.222 0.000 1.136 1296 Y CA 1.775 59.976 58.100 0.169 0.000 1.147 1296 Y CB -0.530 38.041 38.460 0.186 0.000 0.987 1296 Y HN 0.444 nan 8.280 nan 0.000 0.509 1297 W N 1.159 122.528 121.300 0.115 0.000 2.292 1297 W HA -0.343 4.312 4.660 -0.009 0.000 0.330 1297 W C 2.356 178.887 176.519 0.019 0.000 1.264 1297 W CA 3.222 60.580 57.345 0.022 0.000 1.235 1297 W CB -0.869 28.495 29.460 -0.161 0.000 1.164 1297 W HN 0.147 nan 8.180 nan 0.000 0.461 1298 I N 0.280 120.991 120.570 0.235 0.000 2.181 1298 I HA -0.433 3.732 4.170 -0.008 0.000 0.247 1298 I C 2.416 178.513 176.117 -0.032 0.000 1.081 1298 I CA 1.799 63.159 61.300 0.101 0.000 1.340 1298 I CB -1.097 36.972 38.000 0.116 0.000 1.036 1298 I HN 0.149 nan 8.210 nan 0.000 0.417 1299 A N -0.577 122.196 122.820 -0.079 0.000 2.015 1299 A HA -0.135 4.180 4.320 -0.008 0.000 0.219 1299 A C 2.300 179.727 177.584 -0.262 0.000 1.163 1299 A CA 1.948 53.893 52.037 -0.152 0.000 0.646 1299 A CB -0.350 18.557 19.000 -0.154 0.000 0.806 1299 A HN 0.436 nan 8.150 nan 0.000 0.448 1300 S N -1.207 114.274 115.700 -0.365 0.000 2.524 1300 S HA 0.121 4.586 4.470 -0.008 0.000 0.215 1300 S C 0.038 174.235 174.600 -0.671 0.000 0.986 1300 S CA -0.003 57.896 58.200 -0.502 0.000 0.911 1300 S CB -0.057 62.751 63.200 -0.654 0.000 0.805 1300 S HN 0.749 nan 8.310 nan 0.000 0.501 1301 H N 1.046 119.811 119.070 -0.508 0.000 2.674 1301 H HA 0.367 4.918 4.556 -0.009 0.000 0.235 1301 H C 0.148 175.295 175.328 -0.302 0.000 1.330 1301 H CA -0.557 55.181 56.048 -0.516 0.000 1.052 1301 H CB -0.243 28.920 29.762 -0.998 0.000 1.954 1301 H HN 0.025 nan 8.280 nan 0.000 0.566 1302 T N 0.000 114.473 114.554 -0.136 0.000 3.816 1302 T HA 0.000 4.345 4.350 -0.008 0.000 0.228 1302 T CA 0.000 62.053 62.100 -0.078 0.000 1.349 1302 T CB 0.000 68.823 68.868 -0.076 0.000 0.612 1302 T HN 0.000 nan 8.240 nan 0.000 0.658