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 2vye_1_B DATA FIRST_RESID 1007 DATA SEQUENCE ERIPPQSIEA EQAVLGAVFL DPTALTLASE RLIPEDFYRA AHQKIFHAML DATA SEQUENCE RVADKGEPVD LVTVTAELAA LEQLEEVGGV SYLSELADSV PTAANVEYYA DATA SEQUENCE RIVEEKSLLR RLIRTATSIA QDGYTREDEI DVLLDEAERK IMEVSQRKHS DATA SEQUENCE GAFKXXXDVL VQTYDNIEML HNRNGDITGI PTGFTELDRM TSGFQRSDLI DATA SEQUENCE IVAARPSVGK TAFALNIAQN VATKTNENVA IFSLEMSAQQ LVMRMLCAEG DATA SEQUENCE NXXXXXXXXX XLTPEDWGKL TMAMGSLSNA GIYIDDTPSI RVSDIRAKCR DATA SEQUENCE RLKQESGLGM VVIDYLQLIQ GSGRNRENRQ QEVSEISRSL KALARELEVP DATA SEQUENCE VIALSQLSRS VEQRQDKRXX XXDLRESGSI EQDADIVAFX XXXXXXXXXX DATA SEQUENCE XXXXXXXXII AKQRXXXXGT V 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 1007 E HA 0.000 nan 4.350 nan 0.000 0.291 1007 E C 0.000 176.616 176.600 0.026 0.000 1.382 1007 E CA 0.000 56.414 56.400 0.023 0.000 0.976 1007 E CB 0.000 29.719 29.700 0.032 0.000 0.812 1008 R N -0.395 120.126 120.500 0.036 0.000 3.080 1008 R HA 0.613 4.953 4.340 0.000 0.000 0.248 1008 R C 0.053 176.356 176.300 0.006 0.000 1.324 1008 R CA -0.057 56.064 56.100 0.036 0.000 1.036 1008 R CB 0.612 30.960 30.300 0.080 0.000 1.360 1008 R HN 0.044 nan 8.270 nan 0.000 0.479 1009 I N -3.145 117.422 120.570 -0.006 0.000 4.779 1009 I HA 0.497 4.667 4.170 0.000 0.000 0.339 1009 I C -1.490 174.584 176.117 -0.073 0.000 1.293 1009 I CA -0.770 60.504 61.300 -0.044 0.000 1.324 1009 I CB -0.071 37.912 38.000 -0.029 0.000 1.424 1009 I HN 0.206 nan 8.210 nan 0.000 0.489 1010 P HA 0.168 nan 4.420 nan 0.000 0.273 1010 P C -2.396 174.816 177.300 -0.147 0.000 1.252 1010 P CA -0.327 62.732 63.100 -0.069 0.000 0.809 1010 P CB -0.627 31.059 31.700 -0.023 0.000 1.017 1011 P HA 0.009 nan 4.420 nan 0.000 0.261 1011 P C -0.961 176.171 177.300 -0.280 0.000 1.173 1011 P CA 0.733 63.740 63.100 -0.155 0.000 0.760 1011 P CB -0.045 31.599 31.700 -0.094 0.000 0.783 1012 Q N 0.566 120.196 119.800 -0.284 0.000 2.599 1012 Q HA 0.367 4.707 4.340 0.000 0.000 0.248 1012 Q C -1.420 174.445 176.000 -0.225 0.000 0.964 1012 Q CA -0.766 54.811 55.803 -0.376 0.000 1.011 1012 Q CB 0.320 28.576 28.738 -0.803 0.000 1.592 1012 Q HN 0.174 nan 8.270 nan 0.000 0.443 1013 S N 4.888 120.491 115.700 -0.161 0.000 2.217 1013 S HA 0.258 4.728 4.470 0.000 0.000 0.168 1013 S C 1.108 175.655 174.600 -0.089 0.000 1.526 1013 S CA -0.622 57.515 58.200 -0.106 0.000 1.150 1013 S CB -0.014 63.138 63.200 -0.080 0.000 1.158 1013 S HN 0.639 nan 8.310 nan 0.000 0.473 1014 I N 2.170 122.700 120.570 -0.067 0.000 2.143 1014 I HA -0.241 3.929 4.170 0.000 0.000 0.245 1014 I C 2.434 178.556 176.117 0.008 0.000 1.068 1014 I CA 1.811 63.111 61.300 0.000 0.000 1.326 1014 I CB -1.252 36.760 38.000 0.021 0.000 1.028 1014 I HN 0.659 nan 8.210 nan 0.000 0.412 1015 E N 0.740 120.921 120.200 -0.032 0.000 2.070 1015 E HA -0.254 4.096 4.350 0.000 0.000 0.197 1015 E C 2.314 178.808 176.600 -0.176 0.000 1.004 1015 E CA 1.677 58.033 56.400 -0.074 0.000 0.805 1015 E CB -0.190 29.463 29.700 -0.077 0.000 0.744 1015 E HN 0.569 nan 8.360 nan 0.000 0.451 1016 A N 1.528 124.233 122.820 -0.191 0.000 1.865 1016 A HA -0.286 4.034 4.320 0.000 0.000 0.217 1016 A C 1.977 179.435 177.584 -0.209 0.000 1.191 1016 A CA 1.827 53.704 52.037 -0.267 0.000 0.623 1016 A CB -0.607 18.340 19.000 -0.090 0.000 0.826 1016 A HN 0.217 nan 8.150 nan 0.000 0.444 1017 E N -0.453 119.637 120.200 -0.183 0.000 2.049 1017 E HA -0.287 4.063 4.350 0.000 0.000 0.198 1017 E C 2.316 178.869 176.600 -0.079 0.000 1.007 1017 E CA 1.638 57.883 56.400 -0.259 0.000 0.809 1017 E CB -0.304 29.252 29.700 -0.239 0.000 0.749 1017 E HN 0.723 nan 8.360 nan 0.000 0.450 1018 Q N 0.073 119.876 119.800 0.005 0.000 2.152 1018 Q HA -0.230 4.110 4.340 0.000 0.000 0.206 1018 Q C 2.245 178.182 176.000 -0.104 0.000 0.985 1018 Q CA 1.343 57.131 55.803 -0.025 0.000 0.863 1018 Q CB -0.262 28.492 28.738 0.028 0.000 0.904 1018 Q HN 0.268 nan 8.270 nan 0.000 0.422 1019 A N 0.541 123.264 122.820 -0.162 0.000 1.841 1019 A HA -0.184 4.136 4.320 0.000 0.000 0.216 1019 A C 2.371 179.946 177.584 -0.015 0.000 1.199 1019 A CA 1.770 53.718 52.037 -0.149 0.000 0.621 1019 A CB -1.026 17.716 19.000 -0.430 0.000 0.835 1019 A HN 0.217 nan 8.150 nan 0.000 0.445 1020 V N 0.254 120.193 119.914 0.040 0.000 2.278 1020 V HA -0.335 3.785 4.120 0.000 0.000 0.251 1020 V C 2.586 178.698 176.094 0.030 0.000 1.062 1020 V CA 2.215 64.585 62.300 0.117 0.000 1.038 1020 V CB -1.009 30.959 31.823 0.242 0.000 0.646 1020 V HN 0.558 nan 8.190 nan 0.000 0.447 1021 L N 0.168 121.395 121.223 0.007 0.000 1.943 1021 L HA -0.155 4.185 4.340 0.000 0.000 0.215 1021 L C 2.787 179.460 176.870 -0.329 0.000 1.074 1021 L CA 2.119 56.827 54.840 -0.221 0.000 0.759 1021 L CB -1.505 40.375 42.059 -0.298 0.000 0.888 1021 L HN 0.477 nan 8.230 nan 0.000 0.433 1022 G N -0.517 108.139 108.800 -0.241 0.000 2.606 1022 G HA2 -0.395 3.565 3.960 0.000 0.000 0.221 1022 G HA3 -0.395 3.565 3.960 0.000 0.000 0.221 1022 G C 1.655 176.528 174.900 -0.045 0.000 1.152 1022 G CA 1.436 46.453 45.100 -0.139 0.000 0.765 1022 G HN 0.562 nan 8.290 nan 0.000 0.595 1023 A N 0.109 122.915 122.820 -0.024 0.000 1.842 1023 A HA -0.067 4.253 4.320 0.000 0.000 0.217 1023 A C 2.660 180.252 177.584 0.014 0.000 1.206 1023 A CA 2.816 54.867 52.037 0.023 0.000 0.630 1023 A CB -1.091 17.939 19.000 0.050 0.000 0.839 1023 A HN 0.542 nan 8.150 nan 0.000 0.447 1024 V N -0.601 119.281 119.914 -0.052 0.000 2.233 1024 V HA -0.384 3.736 4.120 0.000 0.000 0.252 1024 V C 2.357 178.521 176.094 0.116 0.000 1.063 1024 V CA 2.512 64.791 62.300 -0.036 0.000 1.032 1024 V CB -1.318 30.407 31.823 -0.163 0.000 0.645 1024 V HN 0.615 nan 8.190 nan 0.000 0.446 1025 F N -0.901 119.016 119.950 -0.055 0.000 2.063 1025 F HA -0.328 4.199 4.527 0.000 0.000 0.298 1025 F C 2.442 178.224 175.800 -0.029 0.000 1.109 1025 F CA 1.713 59.688 58.000 -0.042 0.000 1.212 1025 F CB -0.356 38.620 39.000 -0.040 0.000 0.973 1025 F HN 0.208 nan 8.300 nan 0.000 0.480 1026 L N 0.284 121.619 121.223 0.186 0.000 2.083 1026 L HA -0.144 4.196 4.340 0.000 0.000 0.209 1026 L C 0.176 177.082 176.870 0.060 0.000 1.083 1026 L CA 1.792 56.689 54.840 0.095 0.000 0.752 1026 L CB -0.355 41.748 42.059 0.074 0.000 0.899 1026 L HN 0.086 nan 8.230 nan 0.000 0.433 1027 D N -2.092 118.342 120.400 0.057 0.000 2.764 1027 D HA 0.192 4.832 4.640 0.000 0.000 0.227 1027 D C -2.023 174.296 176.300 0.032 0.000 1.347 1027 D CA -1.833 52.188 54.000 0.035 0.000 0.953 1027 D CB 1.464 42.280 40.800 0.028 0.000 1.476 1027 D HN -0.178 nan 8.370 nan 0.000 0.585 1028 P HA -0.233 nan 4.420 nan 0.000 0.217 1028 P C 1.162 178.464 177.300 0.004 0.000 1.151 1028 P CA 1.444 64.554 63.100 0.017 0.000 0.849 1028 P CB 0.029 31.735 31.700 0.009 0.000 0.787 1029 T N 0.345 114.903 114.554 0.007 0.000 2.760 1029 T HA -0.211 4.139 4.350 0.000 0.000 0.269 1029 T C 2.076 176.779 174.700 0.004 0.000 1.047 1029 T CA 1.850 63.953 62.100 0.006 0.000 1.139 1029 T CB -0.979 67.895 68.868 0.010 0.000 0.855 1029 T HN 0.189 nan 8.240 nan 0.000 0.471 1030 A N 1.533 124.357 122.820 0.006 0.000 1.903 1030 A HA -0.140 4.180 4.320 0.000 0.000 0.219 1030 A C 2.199 179.769 177.584 -0.024 0.000 1.191 1030 A CA 1.998 54.037 52.037 0.004 0.000 0.638 1030 A CB -1.038 17.966 19.000 0.006 0.000 0.823 1030 A HN 0.479 nan 8.150 nan 0.000 0.451 1031 L N -0.418 120.767 121.223 -0.063 0.000 1.934 1031 L HA -0.218 4.122 4.340 0.000 0.000 0.227 1031 L C 2.418 179.254 176.870 -0.058 0.000 1.084 1031 L CA 3.132 57.898 54.840 -0.124 0.000 0.790 1031 L CB -1.239 40.745 42.059 -0.125 0.000 0.896 1031 L HN 0.385 nan 8.230 nan 0.000 0.437 1032 T N 0.617 115.155 114.554 -0.027 0.000 2.792 1032 T HA -0.208 4.143 4.350 0.000 0.000 0.268 1032 T C 1.796 176.510 174.700 0.024 0.000 1.059 1032 T CA 1.564 63.666 62.100 0.004 0.000 1.136 1032 T CB -0.312 68.559 68.868 0.005 0.000 0.846 1032 T HN 0.227 nan 8.240 nan 0.000 0.489 1033 L N 0.388 121.626 121.223 0.025 0.000 2.102 1033 L HA 0.185 4.525 4.340 0.000 0.000 0.202 1033 L C 2.836 179.748 176.870 0.070 0.000 1.076 1033 L CA 1.643 56.509 54.840 0.043 0.000 0.761 1033 L CB -1.501 40.583 42.059 0.041 0.000 0.921 1033 L HN 0.261 nan 8.230 nan 0.000 0.444 1034 A N 0.040 122.905 122.820 0.075 0.000 1.883 1034 A HA -0.264 4.056 4.320 0.000 0.000 0.217 1034 A C 2.405 180.118 177.584 0.214 0.000 1.186 1034 A CA 2.292 54.417 52.037 0.148 0.000 0.624 1034 A CB -0.952 18.120 19.000 0.120 0.000 0.822 1034 A HN 0.599 nan 8.150 nan 0.000 0.444 1035 S N -0.198 115.606 115.700 0.173 0.000 2.488 1035 S HA -0.193 4.277 4.470 0.000 0.000 0.246 1035 S C 1.365 176.049 174.600 0.140 0.000 0.992 1035 S CA 1.625 59.948 58.200 0.205 0.000 0.963 1035 S CB -0.489 62.783 63.200 0.121 0.000 0.754 1035 S HN 0.675 nan 8.310 nan 0.000 0.519 1036 E N -0.182 120.083 120.200 0.110 0.000 2.371 1036 E HA 0.140 4.491 4.350 0.000 0.000 0.194 1036 E C 1.932 178.582 176.600 0.083 0.000 1.012 1036 E CA 0.333 56.781 56.400 0.080 0.000 0.860 1036 E CB 0.188 29.925 29.700 0.062 0.000 0.811 1036 E HN 0.405 nan 8.360 nan 0.000 0.502 1037 R N -0.902 119.665 120.500 0.112 0.000 2.412 1037 R HA 0.304 4.644 4.340 0.000 0.000 0.212 1037 R C -0.137 176.227 176.300 0.107 0.000 0.878 1037 R CA 0.214 56.373 56.100 0.097 0.000 1.022 1037 R CB 0.889 31.244 30.300 0.092 0.000 1.265 1037 R HN -0.072 nan 8.270 nan 0.000 0.620 1038 L N 1.831 123.152 121.223 0.164 0.000 2.354 1038 L HA 0.614 4.954 4.340 0.000 0.000 0.269 1038 L C -0.433 176.406 176.870 -0.051 0.000 1.005 1038 L CA -1.203 53.695 54.840 0.096 0.000 0.819 1038 L CB 2.179 44.363 42.059 0.208 0.000 1.311 1038 L HN -0.048 nan 8.230 nan 0.000 0.423 1039 I N -1.159 119.311 120.570 -0.168 0.000 2.474 1039 I HA 0.425 4.596 4.170 0.000 0.000 0.294 1039 I C -2.116 173.766 176.117 -0.392 0.000 1.005 1039 I CA -2.276 58.898 61.300 -0.210 0.000 1.113 1039 I CB 1.546 39.503 38.000 -0.072 0.000 1.289 1039 I HN 0.296 nan 8.210 nan 0.000 0.436 1040 P HA -0.286 nan 4.420 nan 0.000 0.224 1040 P C 1.082 178.251 177.300 -0.218 0.000 1.153 1040 P CA 1.808 64.667 63.100 -0.402 0.000 0.947 1040 P CB 0.165 31.857 31.700 -0.013 0.000 0.790 1041 E N -0.982 119.157 120.200 -0.102 0.000 2.208 1041 E HA -0.221 4.129 4.350 0.000 0.000 0.202 1041 E C 1.701 178.310 176.600 0.015 0.000 1.014 1041 E CA 1.322 57.700 56.400 -0.038 0.000 0.819 1041 E CB -1.081 28.604 29.700 -0.025 0.000 0.735 1041 E HN 0.348 nan 8.360 nan 0.000 0.469 1042 D N -0.448 119.958 120.400 0.010 0.000 2.149 1042 D HA -0.153 4.487 4.640 0.000 0.000 0.194 1042 D C 0.199 176.624 176.300 0.208 0.000 1.001 1042 D CA 0.722 54.778 54.000 0.094 0.000 0.849 1042 D CB -0.261 40.587 40.800 0.081 0.000 0.939 1042 D HN 0.107 nan 8.370 nan 0.000 0.449 1043 F N 0.239 120.163 119.950 -0.043 0.000 2.595 1043 F HA -0.031 4.497 4.527 0.000 0.000 0.359 1043 F C 1.661 177.529 175.800 0.113 0.000 1.147 1043 F CA -0.407 57.636 58.000 0.071 0.000 1.341 1043 F CB -0.057 39.010 39.000 0.111 0.000 1.104 1043 F HN -0.032 nan 8.300 nan 0.000 0.603 1044 Y N 2.146 122.495 120.300 0.082 0.000 2.060 1044 Y HA -0.094 4.456 4.550 0.000 0.000 0.276 1044 Y C 1.490 177.413 175.900 0.039 0.000 1.127 1044 Y CA 1.286 59.402 58.100 0.027 0.000 1.104 1044 Y CB 0.173 38.614 38.460 -0.031 0.000 0.983 1044 Y HN 0.290 nan 8.280 nan 0.000 0.483 1045 R N -0.438 119.976 120.500 -0.142 0.000 2.758 1045 R HA 0.385 4.725 4.340 0.000 0.000 0.265 1045 R C 1.218 177.455 176.300 -0.106 0.000 1.016 1045 R CA 0.201 56.120 56.100 -0.302 0.000 1.040 1045 R CB 0.883 30.934 30.300 -0.415 0.000 1.152 1045 R HN 0.466 nan 8.270 nan 0.000 0.503 1046 A N 1.476 124.211 122.820 -0.142 0.000 1.923 1046 A HA -0.341 3.980 4.320 0.000 0.000 0.222 1046 A C 2.008 179.584 177.584 -0.013 0.000 1.258 1046 A CA 3.124 55.114 52.037 -0.078 0.000 0.670 1046 A CB -1.006 17.935 19.000 -0.099 0.000 0.834 1046 A HN 0.802 nan 8.150 nan 0.000 0.470 1047 A N -1.337 121.471 122.820 -0.020 0.000 1.865 1047 A HA -0.233 4.087 4.320 0.000 0.000 0.217 1047 A C 1.994 179.712 177.584 0.225 0.000 1.191 1047 A CA 1.830 53.904 52.037 0.061 0.000 0.623 1047 A CB -1.178 17.818 19.000 -0.008 0.000 0.826 1047 A HN 0.806 nan 8.150 nan 0.000 0.444 1048 H N -1.399 117.743 119.070 0.121 0.000 2.270 1048 H HA -0.194 4.362 4.556 0.000 0.000 0.299 1048 H C 2.440 177.803 175.328 0.060 0.000 1.077 1048 H CA 1.427 57.608 56.048 0.222 0.000 1.294 1048 H CB -0.118 29.972 29.762 0.546 0.000 1.371 1048 H HN 0.690 nan 8.280 nan 0.000 0.491 1049 Q N 1.380 121.308 119.800 0.213 0.000 2.028 1049 Q HA -0.243 4.097 4.340 0.000 0.000 0.213 1049 Q C 2.053 178.050 176.000 -0.005 0.000 1.017 1049 Q CA 2.229 58.051 55.803 0.032 0.000 0.875 1049 Q CB 0.031 28.774 28.738 0.008 0.000 0.962 1049 Q HN 0.382 nan 8.270 nan 0.000 0.413 1050 K N -0.242 120.172 120.400 0.023 0.000 2.148 1050 K HA -0.077 4.243 4.320 0.000 0.000 0.204 1050 K C 2.094 178.763 176.600 0.115 0.000 1.050 1050 K CA 1.122 57.434 56.287 0.043 0.000 0.942 1050 K CB -0.044 32.458 32.500 0.005 0.000 0.724 1050 K HN 0.338 nan 8.250 nan 0.000 0.446 1051 I N 0.224 120.850 120.570 0.093 0.000 2.202 1051 I HA -0.266 3.904 4.170 0.000 0.000 0.242 1051 I C 2.169 178.314 176.117 0.047 0.000 1.091 1051 I CA 1.023 62.368 61.300 0.075 0.000 1.368 1051 I CB -0.224 37.811 38.000 0.058 0.000 1.058 1051 I HN 0.044 nan 8.210 nan 0.000 0.410 1052 F N 1.197 121.005 119.950 -0.238 0.000 2.154 1052 F HA -0.300 4.228 4.527 0.000 0.000 0.301 1052 F C 2.596 178.307 175.800 -0.147 0.000 1.087 1052 F CA 1.838 59.641 58.000 -0.327 0.000 1.274 1052 F CB -0.632 37.931 39.000 -0.728 0.000 1.009 1052 F HN 0.156 nan 8.300 nan 0.000 0.485 1053 H N -0.257 118.887 119.070 0.123 0.000 2.256 1053 H HA -0.158 4.398 4.556 0.000 0.000 0.299 1053 H C 2.336 177.702 175.328 0.062 0.000 1.071 1053 H CA 1.578 57.675 56.048 0.083 0.000 1.280 1053 H CB -0.475 29.299 29.762 0.020 0.000 1.370 1053 H HN 0.294 nan 8.280 nan 0.000 0.490 1054 A N 1.266 124.174 122.820 0.147 0.000 1.915 1054 A HA -0.316 4.004 4.320 0.000 0.000 0.220 1054 A C 2.613 180.204 177.584 0.010 0.000 1.198 1054 A CA 2.401 54.481 52.037 0.072 0.000 0.647 1054 A CB -1.070 17.986 19.000 0.092 0.000 0.825 1054 A HN 0.558 nan 8.150 nan 0.000 0.456 1055 M N -0.977 118.623 119.600 -0.000 0.000 2.605 1055 M HA -0.183 4.297 4.480 0.000 0.000 0.269 1055 M C 2.029 178.288 176.300 -0.068 0.000 1.064 1055 M CA 2.101 57.362 55.300 -0.064 0.000 1.078 1055 M CB -0.409 32.056 32.600 -0.225 0.000 1.234 1055 M HN 0.406 nan 8.290 nan 0.000 0.483 1056 L N -0.236 120.955 121.223 -0.054 0.000 2.123 1056 L HA -0.336 4.004 4.340 0.000 0.000 0.217 1056 L C 2.466 179.276 176.870 -0.100 0.000 1.081 1056 L CA 2.068 56.881 54.840 -0.046 0.000 0.772 1056 L CB -0.830 41.237 42.059 0.015 0.000 0.890 1056 L HN 0.461 nan 8.230 nan 0.000 0.437 1057 R N -0.744 119.670 120.500 -0.144 0.000 2.070 1057 R HA -0.154 4.187 4.340 0.000 0.000 0.233 1057 R C 2.242 178.509 176.300 -0.054 0.000 1.137 1057 R CA 2.032 58.059 56.100 -0.121 0.000 0.945 1057 R CB -0.217 30.020 30.300 -0.105 0.000 0.845 1057 R HN 0.447 nan 8.270 nan 0.000 0.430 1058 V N -1.290 118.606 119.914 -0.031 0.000 2.688 1058 V HA -0.145 3.975 4.120 0.000 0.000 0.256 1058 V C 2.064 178.146 176.094 -0.020 0.000 1.084 1058 V CA 1.537 63.827 62.300 -0.016 0.000 1.103 1058 V CB -1.196 30.625 31.823 -0.003 0.000 0.688 1058 V HN 0.384 nan 8.190 nan 0.000 0.480 1059 A N 1.173 123.975 122.820 -0.029 0.000 1.830 1059 A HA -0.268 4.052 4.320 0.000 0.000 0.214 1059 A C 2.044 179.616 177.584 -0.020 0.000 1.218 1059 A CA 2.081 54.103 52.037 -0.025 0.000 0.628 1059 A CB -1.247 17.735 19.000 -0.029 0.000 0.860 1059 A HN 0.522 nan 8.150 nan 0.000 0.454 1060 D N -0.225 120.161 120.400 -0.024 0.000 2.242 1060 D HA -0.242 4.398 4.640 0.000 0.000 0.190 1060 D C 1.836 178.128 176.300 -0.013 0.000 1.012 1060 D CA 2.079 56.068 54.000 -0.018 0.000 0.875 1060 D CB -0.338 40.447 40.800 -0.025 0.000 0.922 1060 D HN 0.560 nan 8.370 nan 0.000 0.448 1061 K N -0.567 119.825 120.400 -0.014 0.000 2.113 1061 K HA -0.121 4.200 4.320 0.000 0.000 0.208 1061 K C 1.646 178.242 176.600 -0.007 0.000 1.047 1061 K CA 1.251 57.533 56.287 -0.009 0.000 0.928 1061 K CB -0.085 32.410 32.500 -0.007 0.000 0.716 1061 K HN 0.322 nan 8.250 nan 0.000 0.446 1062 G N 1.020 109.815 108.800 -0.008 0.000 2.184 1062 G HA2 -0.195 3.765 3.960 0.000 0.000 0.206 1062 G HA3 -0.195 3.765 3.960 0.000 0.000 0.206 1062 G C -0.529 174.367 174.900 -0.006 0.000 0.995 1062 G CA -0.280 44.817 45.100 -0.006 0.000 0.651 1062 G HN 0.330 nan 8.290 nan 0.000 0.511 1063 E N 1.908 122.104 120.200 -0.007 0.000 2.313 1063 E HA 0.427 4.778 4.350 0.000 0.000 0.272 1063 E C -2.337 174.258 176.600 -0.008 0.000 1.038 1063 E CA -1.802 54.594 56.400 -0.007 0.000 0.863 1063 E CB 1.543 31.239 29.700 -0.006 0.000 1.060 1063 E HN 0.215 nan 8.360 nan 0.000 0.402 1064 P HA -0.013 nan 4.420 nan 0.000 0.276 1064 P C -0.246 177.050 177.300 -0.006 0.000 1.253 1064 P CA -0.126 62.970 63.100 -0.008 0.000 0.766 1064 P CB 0.902 32.596 31.700 -0.009 0.000 0.845 1065 V N 4.547 124.460 119.914 -0.002 0.000 2.508 1065 V HA 0.301 4.421 4.120 0.000 0.000 0.281 1065 V C -0.472 175.635 176.094 0.021 0.000 1.041 1065 V CA 0.600 62.906 62.300 0.010 0.000 1.016 1065 V CB -0.043 31.782 31.823 0.003 0.000 0.984 1065 V HN 0.870 nan 8.190 nan 0.000 0.478 1066 D N 3.709 124.117 120.400 0.013 0.000 2.710 1066 D HA 0.101 4.741 4.640 0.000 0.000 0.276 1066 D C 0.323 176.520 176.300 -0.171 0.000 1.267 1066 D CA -0.574 53.403 54.000 -0.038 0.000 0.772 1066 D CB 0.909 41.673 40.800 -0.061 0.000 1.299 1066 D HN 0.392 nan 8.370 nan 0.000 0.421 1067 L N 0.306 121.256 121.223 -0.454 0.000 2.198 1067 L HA -0.207 4.133 4.340 0.000 0.000 0.218 1067 L C 1.438 178.113 176.870 -0.326 0.000 1.084 1067 L CA 1.883 56.291 54.840 -0.720 0.000 0.779 1067 L CB -0.368 41.297 42.059 -0.656 0.000 0.890 1067 L HN 0.535 nan 8.230 nan 0.000 0.439 1068 V N -1.186 118.619 119.914 -0.181 0.000 2.300 1068 V HA -0.240 3.881 4.120 0.000 0.000 0.233 1068 V C 2.474 178.534 176.094 -0.055 0.000 1.052 1068 V CA 1.855 64.095 62.300 -0.099 0.000 1.026 1068 V CB -0.986 30.796 31.823 -0.069 0.000 0.661 1068 V HN 0.652 nan 8.190 nan 0.000 0.470 1069 T N -1.361 113.171 114.554 -0.036 0.000 2.795 1069 T HA -0.261 4.089 4.350 0.000 0.000 0.266 1069 T C 1.657 176.367 174.700 0.015 0.000 1.056 1069 T CA 1.909 64.004 62.100 -0.009 0.000 1.141 1069 T CB -0.766 68.098 68.868 -0.007 0.000 0.840 1069 T HN 0.189 nan 8.240 nan 0.000 0.493 1070 V N 1.344 121.277 119.914 0.031 0.000 2.300 1070 V HA -0.094 4.026 4.120 0.000 0.000 0.241 1070 V C 2.934 179.077 176.094 0.082 0.000 1.034 1070 V CA 2.146 64.504 62.300 0.097 0.000 1.021 1070 V CB -0.797 31.173 31.823 0.246 0.000 0.662 1070 V HN 0.539 nan 8.190 nan 0.000 0.458 1071 T N 0.507 115.087 114.554 0.043 0.000 2.803 1071 T HA -0.182 4.168 4.350 0.000 0.000 0.269 1071 T C 1.815 176.533 174.700 0.030 0.000 1.052 1071 T CA 1.602 63.724 62.100 0.038 0.000 1.136 1071 T CB -0.344 68.517 68.868 -0.012 0.000 0.864 1071 T HN 0.557 nan 8.240 nan 0.000 0.467 1072 A N 1.457 124.286 122.820 0.015 0.000 1.835 1072 A HA 0.010 4.330 4.320 0.000 0.000 0.213 1072 A C 2.202 179.802 177.584 0.026 0.000 1.210 1072 A CA 1.660 53.705 52.037 0.014 0.000 0.605 1072 A CB -0.774 18.228 19.000 0.003 0.000 0.860 1072 A HN 0.435 nan 8.150 nan 0.000 0.447 1073 E N 0.037 120.255 120.200 0.030 0.000 2.065 1073 E HA -0.232 4.119 4.350 0.000 0.000 0.201 1073 E C 1.698 178.328 176.600 0.049 0.000 1.016 1073 E CA 1.779 58.201 56.400 0.037 0.000 0.818 1073 E CB -0.561 29.162 29.700 0.038 0.000 0.749 1073 E HN 0.378 nan 8.360 nan 0.000 0.453 1074 L N 0.511 121.772 121.223 0.064 0.000 1.963 1074 L HA -0.235 4.105 4.340 0.000 0.000 0.220 1074 L C 2.523 179.426 176.870 0.054 0.000 1.076 1074 L CA 2.448 57.331 54.840 0.071 0.000 0.772 1074 L CB -1.096 41.018 42.059 0.092 0.000 0.892 1074 L HN 0.315 nan 8.230 nan 0.000 0.435 1075 A N -1.107 121.741 122.820 0.048 0.000 2.131 1075 A HA -0.127 4.193 4.320 0.000 0.000 0.220 1075 A C 2.375 179.976 177.584 0.029 0.000 1.158 1075 A CA 1.649 53.708 52.037 0.036 0.000 0.665 1075 A CB -0.871 18.147 19.000 0.030 0.000 0.795 1075 A HN 0.457 nan 8.150 nan 0.000 0.460 1076 A N -1.409 121.429 122.820 0.030 0.000 1.970 1076 A HA 0.218 4.538 4.320 0.000 0.000 0.216 1076 A C 1.433 179.034 177.584 0.028 0.000 1.170 1076 A CA 1.151 53.203 52.037 0.026 0.000 0.645 1076 A CB -0.170 18.846 19.000 0.025 0.000 0.816 1076 A HN 0.570 nan 8.150 nan 0.000 0.447 1077 L N 0.694 121.939 121.223 0.036 0.000 3.034 1077 L HA 0.298 4.639 4.340 0.000 0.000 0.245 1077 L C -0.059 176.828 176.870 0.029 0.000 1.295 1077 L CA -0.168 54.693 54.840 0.036 0.000 1.068 1077 L CB -1.151 40.941 42.059 0.054 0.000 1.426 1077 L HN 0.428 nan 8.230 nan 0.000 0.531 1078 E N 0.188 120.402 120.200 0.024 0.000 2.038 1078 E HA -0.322 4.028 4.350 0.000 0.000 0.181 1078 E C 0.612 177.222 176.600 0.017 0.000 1.383 1078 E CA 0.495 56.907 56.400 0.019 0.000 0.677 1078 E CB -0.374 29.333 29.700 0.013 0.000 1.051 1078 E HN 0.516 nan 8.360 nan 0.000 0.317 1079 Q N -0.226 119.588 119.800 0.023 0.000 2.073 1079 Q HA 0.206 4.546 4.340 0.000 0.000 0.215 1079 Q C 0.863 176.880 176.000 0.028 0.000 0.776 1079 Q CA -0.187 55.627 55.803 0.018 0.000 1.008 1079 Q CB 0.459 29.207 28.738 0.016 0.000 1.196 1079 Q HN 0.398 nan 8.270 nan 0.000 0.458 1080 L N 1.126 122.371 121.223 0.036 0.000 1.955 1080 L HA -0.119 4.221 4.340 0.000 0.000 0.213 1080 L C 1.954 178.848 176.870 0.041 0.000 1.072 1080 L CA 2.454 57.323 54.840 0.047 0.000 0.755 1080 L CB -0.345 41.742 42.059 0.047 0.000 0.888 1080 L HN 0.406 nan 8.230 nan 0.000 0.432 1081 E N -0.973 119.244 120.200 0.029 0.000 2.273 1081 E HA -0.294 4.056 4.350 0.000 0.000 0.198 1081 E C 1.660 178.267 176.600 0.012 0.000 1.002 1081 E CA 1.303 57.717 56.400 0.023 0.000 0.828 1081 E CB 0.028 29.738 29.700 0.017 0.000 0.747 1081 E HN 0.628 nan 8.360 nan 0.000 0.491 1082 E N -0.630 119.572 120.200 0.003 0.000 2.498 1082 E HA -0.031 4.319 4.350 0.000 0.000 0.203 1082 E C 1.293 177.874 176.600 -0.030 0.000 1.013 1082 E CA 0.460 56.850 56.400 -0.017 0.000 0.927 1082 E CB 0.645 30.334 29.700 -0.019 0.000 1.012 1082 E HN 0.197 nan 8.360 nan 0.000 0.482 1083 V N -3.259 116.652 119.914 -0.005 0.000 3.608 1083 V HA 0.536 4.656 4.120 0.000 0.000 0.269 1083 V C 1.474 177.545 176.094 -0.039 0.000 1.245 1083 V CA 0.683 62.981 62.300 -0.002 0.000 1.138 1083 V CB 0.135 31.998 31.823 0.067 0.000 0.841 1083 V HN 0.319 nan 8.190 nan 0.000 0.451 1084 G N -1.303 107.483 108.800 -0.023 0.000 2.624 1084 G HA2 0.344 4.305 3.960 0.000 0.000 0.190 1084 G HA3 0.344 4.305 3.960 0.000 0.000 0.190 1084 G C 0.893 175.857 174.900 0.107 0.000 1.008 1084 G CA 0.093 45.186 45.100 -0.012 0.000 0.731 1084 G HN 1.984 nan 8.290 nan 0.000 0.478 1085 G N -1.280 107.583 108.800 0.105 0.000 2.795 1085 G HA2 0.136 4.096 3.960 0.000 0.000 0.664 1085 G HA3 0.136 4.096 3.960 0.000 0.000 0.664 1085 G C 1.225 176.206 174.900 0.136 0.000 1.381 1085 G CA 1.159 46.318 45.100 0.099 0.000 0.853 1085 G HN 1.734 nan 8.290 nan 0.000 0.545 1086 V N -2.012 117.962 119.914 0.099 0.000 2.392 1086 V HA -0.125 3.995 4.120 0.000 0.000 0.249 1086 V C 2.712 178.869 176.094 0.105 0.000 1.059 1086 V CA 2.939 65.295 62.300 0.093 0.000 1.051 1086 V CB -1.276 30.578 31.823 0.051 0.000 0.658 1086 V HN 1.111 nan 8.190 nan 0.000 0.455 1087 S N -0.021 115.743 115.700 0.106 0.000 2.351 1087 S HA -0.251 4.219 4.470 0.000 0.000 0.220 1087 S C 1.843 176.522 174.600 0.131 0.000 1.035 1087 S CA 2.179 60.440 58.200 0.101 0.000 1.031 1087 S CB -0.729 62.529 63.200 0.097 0.000 0.928 1087 S HN 0.790 nan 8.310 nan 0.000 0.433 1088 Y N 1.988 122.332 120.300 0.073 0.000 2.224 1088 Y HA -0.084 4.466 4.550 0.000 0.000 0.289 1088 Y C 1.941 177.914 175.900 0.122 0.000 1.146 1088 Y CA 1.040 59.194 58.100 0.090 0.000 1.182 1088 Y CB -0.360 38.155 38.460 0.092 0.000 0.983 1088 Y HN 0.138 nan 8.280 nan 0.000 0.524 1089 L N -0.817 120.543 121.223 0.229 0.000 1.955 1089 L HA -0.312 4.028 4.340 0.000 0.000 0.213 1089 L C 2.556 179.546 176.870 0.200 0.000 1.072 1089 L CA 1.968 56.963 54.840 0.259 0.000 0.755 1089 L CB -0.807 41.421 42.059 0.282 0.000 0.888 1089 L HN 0.155 nan 8.230 nan 0.000 0.432 1090 S N -0.591 115.175 115.700 0.110 0.000 2.407 1090 S HA -0.244 4.226 4.470 0.000 0.000 0.235 1090 S C 1.664 176.283 174.600 0.032 0.000 1.036 1090 S CA 1.463 59.696 58.200 0.055 0.000 1.013 1090 S CB -0.429 62.780 63.200 0.016 0.000 0.820 1090 S HN 0.428 nan 8.310 nan 0.000 0.476 1091 E N 1.218 121.395 120.200 -0.038 0.000 2.023 1091 E HA -0.156 4.194 4.350 0.000 0.000 0.196 1091 E C 2.130 178.653 176.600 -0.128 0.000 1.003 1091 E CA 1.315 57.648 56.400 -0.112 0.000 0.809 1091 E CB -0.500 29.067 29.700 -0.222 0.000 0.755 1091 E HN 0.475 nan 8.360 nan 0.000 0.449 1092 L N 0.774 121.866 121.223 -0.219 0.000 2.129 1092 L HA -0.229 4.111 4.340 0.000 0.000 0.212 1092 L C 2.607 179.461 176.870 -0.028 0.000 1.087 1092 L CA 1.026 55.761 54.840 -0.174 0.000 0.757 1092 L CB -0.716 41.192 42.059 -0.252 0.000 0.896 1092 L HN 0.121 nan 8.230 nan 0.000 0.434 1093 A N 0.685 123.578 122.820 0.121 0.000 1.828 1093 A HA -0.234 4.086 4.320 0.000 0.000 0.215 1093 A C 1.908 179.549 177.584 0.095 0.000 1.203 1093 A CA 2.055 54.235 52.037 0.238 0.000 0.614 1093 A CB -0.781 18.393 19.000 0.290 0.000 0.844 1093 A HN 0.379 nan 8.150 nan 0.000 0.445 1094 D N -0.195 120.234 120.400 0.048 0.000 2.265 1094 D HA -0.103 4.537 4.640 0.000 0.000 0.208 1094 D C 2.013 178.322 176.300 0.015 0.000 0.977 1094 D CA 1.207 55.221 54.000 0.023 0.000 0.871 1094 D CB -0.470 40.334 40.800 0.008 0.000 0.925 1094 D HN 0.387 nan 8.370 nan 0.000 0.485 1095 S N -0.186 115.516 115.700 0.004 0.000 2.363 1095 S HA -0.121 4.349 4.470 0.000 0.000 0.218 1095 S C 0.933 175.538 174.600 0.008 0.000 1.035 1095 S CA 0.671 58.865 58.200 -0.009 0.000 1.043 1095 S CB -0.173 63.002 63.200 -0.041 0.000 0.986 1095 S HN 0.028 nan 8.310 nan 0.000 0.423 1096 V N 4.036 123.961 119.914 0.018 0.000 2.655 1096 V HA 0.138 4.258 4.120 0.000 0.000 0.300 1096 V C -0.973 175.146 176.094 0.042 0.000 1.044 1096 V CA -0.582 61.742 62.300 0.040 0.000 1.095 1096 V CB 0.711 32.566 31.823 0.053 0.000 0.952 1096 V HN 0.527 nan 8.190 nan 0.000 0.485 1097 P HA 0.074 nan 4.420 nan 0.000 0.228 1097 P C 0.550 177.869 177.300 0.032 0.000 1.166 1097 P CA 0.697 63.817 63.100 0.033 0.000 0.812 1097 P CB 0.853 32.571 31.700 0.030 0.000 0.857 1098 T N -1.590 112.988 114.554 0.041 0.000 2.647 1098 T HA 0.690 5.040 4.350 0.000 0.000 0.295 1098 T C -1.807 172.920 174.700 0.044 0.000 1.126 1098 T CA -0.304 61.816 62.100 0.034 0.000 1.040 1098 T CB 1.116 69.997 68.868 0.022 0.000 1.472 1098 T HN -0.089 nan 8.240 nan 0.000 0.500 1099 A N 0.519 123.360 122.820 0.035 0.000 3.307 1099 A HA 0.749 5.069 4.320 0.000 0.000 0.289 1099 A C 0.022 177.624 177.584 0.029 0.000 1.138 1099 A CA 0.288 52.349 52.037 0.041 0.000 0.860 1099 A CB -0.128 18.896 19.000 0.040 0.000 1.318 1099 A HN 1.460 nan 8.150 nan 0.000 0.551 1100 A N 0.885 123.719 122.820 0.023 0.000 2.504 1100 A HA 0.233 4.553 4.320 0.000 0.000 0.233 1100 A C 0.530 178.114 177.584 -0.000 0.000 1.079 1100 A CA 0.438 52.483 52.037 0.013 0.000 1.080 1100 A CB -0.717 18.286 19.000 0.005 0.000 1.144 1100 A HN 0.797 nan 8.150 nan 0.000 0.491 1101 N N -1.321 117.376 118.700 -0.005 0.000 2.297 1101 N HA 0.044 4.784 4.740 0.000 0.000 0.208 1101 N C 1.406 176.914 175.510 -0.003 0.000 1.176 1101 N CA 0.558 53.577 53.050 -0.052 0.000 0.882 1101 N CB 0.282 38.681 38.487 -0.147 0.000 1.134 1101 N HN 0.125 nan 8.380 nan 0.000 0.489 1102 V N 3.155 123.106 119.914 0.061 0.000 2.311 1102 V HA -0.408 3.712 4.120 0.000 0.000 0.259 1102 V C 2.549 178.720 176.094 0.129 0.000 1.086 1102 V CA 2.920 65.302 62.300 0.137 0.000 1.078 1102 V CB -0.689 31.202 31.823 0.114 0.000 0.668 1102 V HN 0.633 nan 8.190 nan 0.000 0.452 1103 E N -1.376 118.877 120.200 0.087 0.000 2.171 1103 E HA -0.334 4.016 4.350 0.000 0.000 0.197 1103 E C 2.078 178.730 176.600 0.087 0.000 0.997 1103 E CA 2.109 58.557 56.400 0.080 0.000 0.810 1103 E CB -0.731 29.004 29.700 0.058 0.000 0.738 1103 E HN 0.847 nan 8.360 nan 0.000 0.467 1104 Y N 0.477 120.732 120.300 -0.076 0.000 2.090 1104 Y HA -0.268 4.282 4.550 0.000 0.000 0.274 1104 Y C 1.832 177.702 175.900 -0.050 0.000 1.110 1104 Y CA 2.040 60.065 58.100 -0.127 0.000 1.092 1104 Y CB -0.764 37.522 38.460 -0.291 0.000 0.992 1104 Y HN -0.018 nan 8.280 nan 0.000 0.479 1105 Y N 0.631 121.090 120.300 0.265 0.000 2.139 1105 Y HA -0.330 4.221 4.550 0.000 0.000 0.282 1105 Y C 2.752 178.625 175.900 -0.045 0.000 1.179 1105 Y CA 1.142 59.289 58.100 0.078 0.000 1.161 1105 Y CB -1.584 36.972 38.460 0.161 0.000 0.970 1105 Y HN 0.353 nan 8.280 nan 0.000 0.511 1106 A N 0.337 123.263 122.820 0.177 0.000 1.859 1106 A HA -0.251 4.069 4.320 0.000 0.000 0.217 1106 A C 2.447 180.049 177.584 0.031 0.000 1.198 1106 A CA 1.960 54.071 52.037 0.124 0.000 0.629 1106 A CB -0.663 18.422 19.000 0.142 0.000 0.830 1106 A HN 0.310 nan 8.150 nan 0.000 0.446 1107 R N -0.656 119.826 120.500 -0.030 0.000 2.119 1107 R HA -0.169 4.171 4.340 0.000 0.000 0.246 1107 R C 2.076 178.296 176.300 -0.132 0.000 1.146 1107 R CA 1.745 57.792 56.100 -0.087 0.000 0.962 1107 R CB -0.789 29.432 30.300 -0.131 0.000 0.863 1107 R HN 0.676 nan 8.270 nan 0.000 0.442 1108 I N 0.188 120.633 120.570 -0.209 0.000 2.133 1108 I HA -0.266 3.904 4.170 0.000 0.000 0.238 1108 I C 2.375 178.435 176.117 -0.095 0.000 1.074 1108 I CA 1.134 62.330 61.300 -0.174 0.000 1.342 1108 I CB -0.408 37.482 38.000 -0.184 0.000 1.053 1108 I HN -0.082 nan 8.210 nan 0.000 0.404 1109 V N 0.865 120.733 119.914 -0.077 0.000 2.277 1109 V HA -0.420 3.701 4.120 0.000 0.000 0.255 1109 V C 2.411 178.466 176.094 -0.064 0.000 1.074 1109 V CA 2.527 64.767 62.300 -0.100 0.000 1.058 1109 V CB -0.994 30.745 31.823 -0.140 0.000 0.656 1109 V HN 0.539 nan 8.190 nan 0.000 0.449 1110 E N -0.074 120.107 120.200 -0.031 0.000 2.023 1110 E HA -0.252 4.098 4.350 0.000 0.000 0.196 1110 E C 2.311 178.896 176.600 -0.024 0.000 1.003 1110 E CA 1.607 58.001 56.400 -0.010 0.000 0.809 1110 E CB -0.142 29.560 29.700 0.003 0.000 0.755 1110 E HN 0.690 nan 8.360 nan 0.000 0.449 1111 E N 0.777 120.953 120.200 -0.041 0.000 2.068 1111 E HA -0.267 4.083 4.350 0.000 0.000 0.207 1111 E C 2.072 178.648 176.600 -0.039 0.000 1.032 1111 E CA 1.238 57.613 56.400 -0.042 0.000 0.839 1111 E CB -0.334 29.331 29.700 -0.058 0.000 0.758 1111 E HN 0.212 nan 8.360 nan 0.000 0.457 1112 K N 0.731 121.100 120.400 -0.052 0.000 2.059 1112 K HA -0.151 4.169 4.320 0.000 0.000 0.212 1112 K C 2.323 178.904 176.600 -0.032 0.000 1.050 1112 K CA 1.236 57.489 56.287 -0.055 0.000 0.927 1112 K CB -0.845 31.607 32.500 -0.081 0.000 0.714 1112 K HN 0.104 nan 8.250 nan 0.000 0.447 1113 S N 0.988 116.676 115.700 -0.019 0.000 2.365 1113 S HA -0.183 4.287 4.470 0.000 0.000 0.225 1113 S C 2.021 176.624 174.600 0.004 0.000 1.039 1113 S CA 1.295 59.499 58.200 0.006 0.000 1.033 1113 S CB -0.270 62.938 63.200 0.014 0.000 0.887 1113 S HN 0.221 nan 8.310 nan 0.000 0.447 1114 L N 1.467 122.687 121.223 -0.004 0.000 1.943 1114 L HA 0.004 4.344 4.340 0.000 0.000 0.215 1114 L C 2.466 179.333 176.870 -0.005 0.000 1.074 1114 L CA 1.855 56.693 54.840 -0.004 0.000 0.759 1114 L CB -0.746 41.307 42.059 -0.009 0.000 0.888 1114 L HN 0.399 nan 8.230 nan 0.000 0.433 1115 L N -0.771 120.444 121.223 -0.013 0.000 2.051 1115 L HA -0.338 4.002 4.340 0.000 0.000 0.214 1115 L C 2.835 179.699 176.870 -0.009 0.000 1.076 1115 L CA 1.986 56.817 54.840 -0.015 0.000 0.758 1115 L CB -0.394 41.649 42.059 -0.026 0.000 0.890 1115 L HN 0.414 nan 8.230 nan 0.000 0.433 1116 R N 0.382 120.878 120.500 -0.007 0.000 2.070 1116 R HA -0.242 4.098 4.340 0.000 0.000 0.232 1116 R C 2.272 178.582 176.300 0.015 0.000 1.138 1116 R CA 1.950 58.054 56.100 0.008 0.000 0.936 1116 R CB -0.548 29.769 30.300 0.027 0.000 0.839 1116 R HN 0.049 nan 8.270 nan 0.000 0.429 1117 R N 0.257 120.766 120.500 0.016 0.000 2.193 1117 R HA -0.026 4.315 4.340 0.000 0.000 0.229 1117 R C 2.021 178.327 176.300 0.010 0.000 1.110 1117 R CA 1.044 57.153 56.100 0.015 0.000 0.988 1117 R CB -0.461 29.848 30.300 0.014 0.000 0.871 1117 R HN 0.390 nan 8.270 nan 0.000 0.458 1118 L N 0.223 121.449 121.223 0.006 0.000 2.007 1118 L HA -0.082 4.258 4.340 0.000 0.000 0.205 1118 L C 1.788 178.661 176.870 0.005 0.000 1.073 1118 L CA 1.924 56.766 54.840 0.003 0.000 0.744 1118 L CB -0.729 41.329 42.059 -0.001 0.000 0.898 1118 L HN 0.253 nan 8.230 nan 0.000 0.435 1119 I N 0.102 120.675 120.570 0.005 0.000 2.361 1119 I HA -0.297 3.873 4.170 0.000 0.000 0.251 1119 I C 2.806 178.931 176.117 0.012 0.000 1.133 1119 I CA 1.074 62.378 61.300 0.007 0.000 1.413 1119 I CB -0.352 37.651 38.000 0.004 0.000 1.073 1119 I HN 0.364 nan 8.210 nan 0.000 0.424 1120 R N 0.418 120.926 120.500 0.014 0.000 2.066 1120 R HA -0.167 4.173 4.340 0.000 0.000 0.232 1120 R C 2.350 178.659 176.300 0.015 0.000 1.131 1120 R CA 2.045 58.155 56.100 0.017 0.000 0.955 1120 R CB -0.380 29.932 30.300 0.019 0.000 0.851 1120 R HN 0.150 nan 8.270 nan 0.000 0.432 1121 T N 0.353 114.914 114.554 0.013 0.000 2.674 1121 T HA -0.093 4.257 4.350 0.000 0.000 0.265 1121 T C 1.752 176.461 174.700 0.015 0.000 1.039 1121 T CA 1.499 63.607 62.100 0.013 0.000 1.150 1121 T CB -0.353 68.521 68.868 0.010 0.000 0.864 1121 T HN 0.507 nan 8.240 nan 0.000 0.427 1122 A N 0.573 123.401 122.820 0.013 0.000 1.903 1122 A HA -0.203 4.118 4.320 0.000 0.000 0.219 1122 A C 2.514 180.112 177.584 0.024 0.000 1.191 1122 A CA 2.640 54.687 52.037 0.016 0.000 0.638 1122 A CB -1.407 17.601 19.000 0.013 0.000 0.823 1122 A HN 0.516 nan 8.150 nan 0.000 0.451 1123 T N -0.803 113.766 114.554 0.025 0.000 2.915 1123 T HA -0.092 4.258 4.350 0.000 0.000 0.269 1123 T C 2.208 176.930 174.700 0.037 0.000 1.071 1123 T CA 1.446 63.565 62.100 0.032 0.000 1.132 1123 T CB -0.263 68.619 68.868 0.023 0.000 0.878 1123 T HN 0.609 nan 8.240 nan 0.000 0.479 1124 S N 0.830 116.547 115.700 0.029 0.000 2.343 1124 S HA -0.065 4.405 4.470 0.000 0.000 0.219 1124 S C 2.020 176.644 174.600 0.039 0.000 1.033 1124 S CA 1.024 59.242 58.200 0.029 0.000 1.014 1124 S CB -0.473 62.739 63.200 0.021 0.000 0.915 1124 S HN 0.482 nan 8.310 nan 0.000 0.435 1125 I N 1.948 122.537 120.570 0.032 0.000 2.113 1125 I HA -0.290 3.881 4.170 0.000 0.000 0.242 1125 I C 2.735 178.884 176.117 0.053 0.000 1.064 1125 I CA 1.236 62.554 61.300 0.030 0.000 1.320 1125 I CB -0.967 37.043 38.000 0.016 0.000 1.028 1125 I HN 0.453 nan 8.210 nan 0.000 0.406 1126 A N 0.584 123.448 122.820 0.073 0.000 1.953 1126 A HA -0.352 3.968 4.320 0.000 0.000 0.212 1126 A C 2.125 179.850 177.584 0.235 0.000 1.250 1126 A CA 2.253 54.375 52.037 0.142 0.000 0.726 1126 A CB -1.240 17.839 19.000 0.132 0.000 0.837 1126 A HN 0.520 nan 8.150 nan 0.000 0.481 1127 Q N -0.877 119.027 119.800 0.174 0.000 2.315 1127 Q HA -0.279 4.061 4.340 0.000 0.000 0.213 1127 Q C 1.537 177.646 176.000 0.180 0.000 0.994 1127 Q CA 1.756 57.651 55.803 0.153 0.000 0.906 1127 Q CB -0.415 28.356 28.738 0.054 0.000 0.918 1127 Q HN 0.680 nan 8.270 nan 0.000 0.427 1128 D N -0.607 119.870 120.400 0.129 0.000 2.085 1128 D HA -0.075 4.565 4.640 0.000 0.000 0.199 1128 D C 1.872 178.219 176.300 0.079 0.000 0.981 1128 D CA 1.325 55.377 54.000 0.086 0.000 0.834 1128 D CB -0.758 40.069 40.800 0.045 0.000 0.992 1128 D HN 0.339 nan 8.370 nan 0.000 0.457 1129 G N 0.143 108.962 108.800 0.032 0.000 2.606 1129 G HA2 -0.346 3.615 3.960 0.000 0.000 0.221 1129 G HA3 -0.346 3.615 3.960 0.000 0.000 0.221 1129 G C 1.439 176.282 174.900 -0.095 0.000 1.152 1129 G CA 1.321 46.368 45.100 -0.088 0.000 0.765 1129 G HN 0.325 nan 8.290 nan 0.000 0.595 1130 Y N 0.752 121.051 120.300 -0.001 0.000 2.220 1130 Y HA 0.003 4.553 4.550 0.000 0.000 0.291 1130 Y C 2.969 178.869 175.900 -0.001 0.000 1.129 1130 Y CA 1.420 59.520 58.100 -0.001 0.000 1.161 1130 Y CB -0.428 38.031 38.460 -0.001 0.000 0.997 1130 Y HN 0.088 nan 8.280 nan 0.000 0.522 1131 T N 0.867 115.524 114.554 0.172 0.000 3.317 1131 T HA 0.155 4.505 4.350 0.000 0.000 0.250 1131 T C 0.552 175.284 174.700 0.054 0.000 1.106 1131 T CA 0.284 62.440 62.100 0.093 0.000 0.986 1131 T CB -0.363 68.548 68.868 0.071 0.000 1.010 1131 T HN 0.240 nan 8.240 nan 0.000 0.560 1132 R N 0.419 120.944 120.500 0.040 0.000 2.499 1132 R HA 0.117 4.457 4.340 0.000 0.000 0.252 1132 R C 0.103 176.407 176.300 0.007 0.000 1.309 1132 R CA -0.141 55.971 56.100 0.020 0.000 1.425 1132 R CB 0.279 30.589 30.300 0.016 0.000 1.392 1132 R HN 0.307 nan 8.270 nan 0.000 0.766 1133 E N 0.406 120.610 120.200 0.008 0.000 2.501 1133 E HA -0.165 4.185 4.350 0.000 0.000 0.203 1133 E C -0.124 176.473 176.600 -0.005 0.000 1.072 1133 E CA 0.867 57.264 56.400 -0.004 0.000 0.885 1133 E CB 0.091 29.792 29.700 0.002 0.000 0.813 1133 E HN 0.193 nan 8.360 nan 0.000 0.556 1134 D N 0.051 120.450 120.400 -0.001 0.000 2.938 1134 D HA 0.139 4.779 4.640 0.000 0.000 0.369 1134 D C -0.698 175.601 176.300 -0.001 0.000 1.301 1134 D CA 0.030 54.029 54.000 -0.001 0.000 0.805 1134 D CB 0.244 41.045 40.800 0.002 0.000 1.161 1134 D HN 0.015 nan 8.370 nan 0.000 0.474 1135 E N 0.273 120.471 120.200 -0.004 0.000 3.632 1135 E HA 0.053 4.403 4.350 0.000 0.000 0.149 1135 E C 1.397 177.993 176.600 -0.007 0.000 0.970 1135 E CA -0.059 56.340 56.400 -0.003 0.000 1.498 1135 E CB 0.742 30.442 29.700 0.000 0.000 1.095 1135 E HN 0.039 nan 8.360 nan 0.000 0.399 1136 I N 0.436 120.999 120.570 -0.010 0.000 2.151 1136 I HA -0.265 3.906 4.170 0.000 0.000 0.243 1136 I C 1.909 178.020 176.117 -0.011 0.000 1.080 1136 I CA 1.576 62.867 61.300 -0.015 0.000 1.339 1136 I CB -0.808 37.181 38.000 -0.017 0.000 1.039 1136 I HN 0.221 nan 8.210 nan 0.000 0.409 1137 D N 1.104 121.500 120.400 -0.007 0.000 2.078 1137 D HA -0.109 4.531 4.640 0.000 0.000 0.193 1137 D C 2.331 178.629 176.300 -0.004 0.000 0.990 1137 D CA 1.292 55.290 54.000 -0.005 0.000 0.827 1137 D CB -0.042 40.758 40.800 -0.001 0.000 0.975 1137 D HN 0.131 nan 8.370 nan 0.000 0.451 1138 V N 0.892 120.804 119.914 -0.002 0.000 2.223 1138 V HA -0.293 3.827 4.120 0.000 0.000 0.246 1138 V C 2.770 178.862 176.094 -0.002 0.000 1.045 1138 V CA 1.713 64.013 62.300 -0.001 0.000 1.004 1138 V CB -1.038 30.786 31.823 0.001 0.000 0.641 1138 V HN 0.184 nan 8.190 nan 0.000 0.457 1139 L N -0.746 120.475 121.223 -0.004 0.000 2.040 1139 L HA -0.310 4.031 4.340 0.000 0.000 0.228 1139 L C 2.484 179.349 176.870 -0.007 0.000 1.092 1139 L CA 2.180 57.017 54.840 -0.006 0.000 0.805 1139 L CB -0.685 41.367 42.059 -0.010 0.000 0.905 1139 L HN 0.299 nan 8.230 nan 0.000 0.443 1140 L N -1.020 120.197 121.223 -0.010 0.000 2.021 1140 L HA -0.325 4.015 4.340 0.000 0.000 0.215 1140 L C 2.200 179.066 176.870 -0.007 0.000 1.074 1140 L CA 1.781 56.614 54.840 -0.011 0.000 0.760 1140 L CB -0.688 41.364 42.059 -0.012 0.000 0.889 1140 L HN 0.334 nan 8.230 nan 0.000 0.433 1141 D N -0.531 119.866 120.400 -0.005 0.000 2.144 1141 D HA -0.210 4.430 4.640 0.000 0.000 0.199 1141 D C 2.079 178.378 176.300 -0.002 0.000 0.984 1141 D CA 1.420 55.419 54.000 -0.003 0.000 0.834 1141 D CB 0.066 40.865 40.800 -0.001 0.000 0.955 1141 D HN 0.555 nan 8.370 nan 0.000 0.465 1142 E N -0.195 120.004 120.200 -0.001 0.000 2.385 1142 E HA 0.086 4.437 4.350 0.000 0.000 0.194 1142 E C 1.814 178.414 176.600 0.001 0.000 1.013 1142 E CA 0.556 56.956 56.400 0.001 0.000 0.866 1142 E CB 0.070 29.772 29.700 0.003 0.000 0.832 1142 E HN 0.156 nan 8.360 nan 0.000 0.500 1143 A N 1.729 124.548 122.820 -0.001 0.000 1.968 1143 A HA -0.164 4.156 4.320 0.000 0.000 0.217 1143 A C 1.929 179.512 177.584 -0.002 0.000 1.169 1143 A CA 1.306 53.342 52.037 -0.002 0.000 0.638 1143 A CB -0.297 18.700 19.000 -0.006 0.000 0.812 1143 A HN 0.308 nan 8.150 nan 0.000 0.446 1144 E N -0.583 119.615 120.200 -0.003 0.000 2.015 1144 E HA -0.216 4.134 4.350 0.000 0.000 0.191 1144 E C 2.206 178.805 176.600 -0.001 0.000 0.991 1144 E CA 1.188 57.586 56.400 -0.004 0.000 0.802 1144 E CB -0.246 29.451 29.700 -0.005 0.000 0.759 1144 E HN 0.476 nan 8.360 nan 0.000 0.447 1145 R N 1.970 122.470 120.500 -0.000 0.000 2.162 1145 R HA -0.278 4.062 4.340 0.000 0.000 0.245 1145 R C 2.023 178.325 176.300 0.003 0.000 1.129 1145 R CA 2.238 58.339 56.100 0.002 0.000 0.940 1145 R CB -0.425 29.876 30.300 0.002 0.000 0.875 1145 R HN -0.091 nan 8.270 nan 0.000 0.437 1146 K N -0.290 120.112 120.400 0.003 0.000 2.032 1146 K HA -0.029 4.291 4.320 0.000 0.000 0.209 1146 K C 1.933 178.535 176.600 0.004 0.000 1.048 1146 K CA 1.700 57.990 56.287 0.005 0.000 0.927 1146 K CB -0.272 32.231 32.500 0.006 0.000 0.712 1146 K HN 0.231 nan 8.250 nan 0.000 0.441 1147 I N 0.356 120.927 120.570 0.002 0.000 2.439 1147 I HA -0.168 4.002 4.170 0.000 0.000 0.251 1147 I C 2.137 178.254 176.117 0.001 0.000 1.139 1147 I CA 1.021 62.322 61.300 0.001 0.000 1.438 1147 I CB -0.769 37.230 38.000 -0.001 0.000 1.085 1147 I HN 0.303 nan 8.210 nan 0.000 0.427 1148 M N 1.256 120.856 119.600 0.001 0.000 2.117 1148 M HA -0.176 4.304 4.480 0.000 0.000 0.262 1148 M C 1.934 178.236 176.300 0.003 0.000 1.065 1148 M CA 1.785 57.086 55.300 0.001 0.000 1.114 1148 M CB -0.557 32.043 32.600 0.001 0.000 1.361 1148 M HN 0.124 nan 8.290 nan 0.000 0.408 1149 E N -0.941 119.261 120.200 0.004 0.000 2.401 1149 E HA -0.108 4.242 4.350 0.000 0.000 0.199 1149 E C 1.663 178.267 176.600 0.006 0.000 1.023 1149 E CA 0.862 57.265 56.400 0.006 0.000 0.859 1149 E CB -0.046 29.658 29.700 0.007 0.000 0.780 1149 E HN 0.410 nan 8.360 nan 0.000 0.523 1150 V N -0.305 119.612 119.914 0.005 0.000 3.174 1150 V HA -0.062 4.058 4.120 0.000 0.000 0.254 1150 V C 2.009 178.105 176.094 0.004 0.000 1.120 1150 V CA 1.212 63.515 62.300 0.005 0.000 1.114 1150 V CB 0.674 32.499 31.823 0.004 0.000 0.756 1150 V HN 0.154 nan 8.190 nan 0.000 0.467 1151 S N -0.334 115.368 115.700 0.003 0.000 2.483 1151 S HA 0.060 4.530 4.470 0.000 0.000 0.221 1151 S C 1.038 175.640 174.600 0.004 0.000 1.030 1151 S CA -0.234 57.967 58.200 0.001 0.000 0.925 1151 S CB 0.007 63.206 63.200 -0.002 0.000 0.795 1151 S HN 0.758 nan 8.310 nan 0.000 0.511 1152 Q N 0.895 120.699 119.800 0.007 0.000 2.332 1152 Q HA 0.410 4.750 4.340 0.000 0.000 0.263 1152 Q C 0.291 176.300 176.000 0.016 0.000 0.979 1152 Q CA -0.214 55.596 55.803 0.011 0.000 0.885 1152 Q CB 1.279 30.025 28.738 0.013 0.000 1.218 1152 Q HN 0.374 nan 8.270 nan 0.000 0.405 1153 R N 1.902 122.415 120.500 0.022 0.000 5.328 1153 R HA 0.125 4.465 4.340 0.000 0.000 0.106 1153 R C -0.615 175.714 176.300 0.049 0.000 1.206 1153 R CA 0.101 56.219 56.100 0.030 0.000 0.839 1153 R CB 0.602 30.917 30.300 0.026 0.000 1.258 1153 R HN 0.715 nan 8.270 nan 0.000 0.391 1154 K N 1.178 121.614 120.400 0.061 0.000 2.280 1154 K HA 0.284 4.604 4.320 0.000 0.000 0.234 1154 K C -0.675 176.003 176.600 0.130 0.000 1.028 1154 K CA -0.792 55.571 56.287 0.127 0.000 0.882 1154 K CB 0.678 33.286 32.500 0.179 0.000 1.194 1154 K HN 0.359 nan 8.250 nan 0.000 0.458 1155 H N -0.269 118.808 119.070 0.011 0.000 2.998 1155 H HA 0.079 4.635 4.556 0.000 0.000 0.353 1155 H C -0.431 174.904 175.328 0.012 0.000 1.099 1155 H CA 0.382 56.437 56.048 0.012 0.000 1.393 1155 H CB 0.457 30.229 29.762 0.016 0.000 1.343 1155 H HN 0.843 nan 8.280 nan 0.000 0.609 1156 S N 1.212 116.902 115.700 -0.017 0.000 4.205 1156 S HA 0.812 5.282 4.470 0.000 0.000 0.268 1156 S C 0.548 175.141 174.600 -0.012 0.000 1.082 1156 S CA -0.069 58.085 58.200 -0.076 0.000 1.431 1156 S CB 1.476 64.647 63.200 -0.048 0.000 1.370 1156 S HN 1.309 nan 8.310 nan 0.000 0.740 1157 G N 0.571 109.360 108.800 -0.019 0.000 2.249 1157 G HA2 0.540 4.500 3.960 0.000 0.000 0.089 1157 G HA3 0.540 4.500 3.960 0.000 0.000 0.089 1157 G C 0.195 175.058 174.900 -0.061 0.000 1.206 1157 G CA 0.667 45.761 45.100 -0.010 0.000 1.190 1157 G HN 1.756 nan 8.290 nan 0.000 0.454 1158 A N -1.753 121.011 122.820 -0.093 0.000 1.998 1158 A HA 0.703 5.023 4.320 0.000 0.000 0.180 1158 A C -0.129 177.280 177.584 -0.291 0.000 1.858 1158 A CA 0.368 52.264 52.037 -0.235 0.000 1.403 1158 A CB 0.319 19.094 19.000 -0.375 0.000 1.550 1158 A HN 0.782 nan 8.150 nan 0.000 0.385 1159 F N 2.203 122.157 119.950 0.007 0.000 2.422 1159 F HA 0.535 5.062 4.527 0.000 0.000 0.333 1159 F C 0.798 176.603 175.800 0.007 0.000 1.095 1159 F CA -0.701 57.304 58.000 0.009 0.000 1.038 1159 F CB 1.251 40.260 39.000 0.014 0.000 1.156 1159 F HN -0.015 nan 8.300 nan 0.000 0.483 1165 V N 1.219 121.143 119.914 0.017 0.000 2.490 1165 V HA -0.118 4.003 4.120 0.000 0.000 0.250 1165 V C 2.098 178.211 176.094 0.030 0.000 1.061 1165 V CA 1.441 63.752 62.300 0.020 0.000 1.064 1165 V CB -0.511 31.319 31.823 0.012 0.000 0.670 1165 V HN 0.224 nan 8.190 nan 0.000 0.461 1166 L N -0.195 121.046 121.223 0.029 0.000 1.978 1166 L HA -0.210 4.131 4.340 0.000 0.000 0.218 1166 L C 2.650 179.565 176.870 0.075 0.000 1.075 1166 L CA 2.516 57.382 54.840 0.043 0.000 0.767 1166 L CB -0.679 41.398 42.059 0.030 0.000 0.890 1166 L HN 0.331 nan 8.230 nan 0.000 0.434 1167 V N -0.352 119.600 119.914 0.064 0.000 2.236 1167 V HA -0.441 3.679 4.120 0.000 0.000 0.255 1167 V C 2.430 178.601 176.094 0.129 0.000 1.068 1167 V CA 2.441 64.799 62.300 0.097 0.000 1.044 1167 V CB -0.989 30.863 31.823 0.049 0.000 0.653 1167 V HN 0.571 nan 8.190 nan 0.000 0.448 1168 Q N -0.378 119.465 119.800 0.072 0.000 2.197 1168 Q HA -0.208 4.132 4.340 0.000 0.000 0.207 1168 Q C 2.086 178.113 176.000 0.044 0.000 0.984 1168 Q CA 2.005 57.838 55.803 0.051 0.000 0.869 1168 Q CB -0.473 28.284 28.738 0.030 0.000 0.906 1168 Q HN 0.686 nan 8.270 nan 0.000 0.426 1169 T N -0.389 114.198 114.554 0.055 0.000 3.129 1169 T HA -0.043 4.307 4.350 0.000 0.000 0.251 1169 T C 0.897 175.626 174.700 0.047 0.000 1.117 1169 T CA 0.327 62.449 62.100 0.036 0.000 1.034 1169 T CB -0.056 68.832 68.868 0.034 0.000 0.968 1169 T HN 0.404 nan 8.240 nan 0.000 0.526 1170 Y N 1.165 121.460 120.300 -0.008 0.000 2.396 1170 Y HA 0.165 4.715 4.550 0.000 0.000 0.292 1170 Y C 1.972 177.868 175.900 -0.007 0.000 1.128 1170 Y CA 0.450 58.543 58.100 -0.012 0.000 1.194 1170 Y CB 0.116 38.567 38.460 -0.014 0.000 1.124 1170 Y HN -0.036 nan 8.280 nan 0.000 0.543 1171 D N 0.484 120.867 120.400 -0.028 0.000 2.182 1171 D HA -0.209 4.431 4.640 0.000 0.000 0.201 1171 D C 1.663 177.870 176.300 -0.154 0.000 0.986 1171 D CA 0.992 54.937 54.000 -0.091 0.000 0.847 1171 D CB -0.202 40.623 40.800 0.042 0.000 0.942 1171 D HN 0.423 nan 8.370 nan 0.000 0.467 1172 N N 0.718 119.352 118.700 -0.109 0.000 2.080 1172 N HA -0.106 4.634 4.740 0.000 0.000 0.189 1172 N C 2.190 177.623 175.510 -0.129 0.000 1.036 1172 N CA 0.399 53.398 53.050 -0.085 0.000 0.846 1172 N CB -0.253 38.206 38.487 -0.045 0.000 1.015 1172 N HN 0.258 nan 8.380 nan 0.000 0.423 1173 I N 1.573 122.036 120.570 -0.179 0.000 2.194 1173 I HA -0.289 3.881 4.170 0.000 0.000 0.246 1173 I C 2.345 178.339 176.117 -0.206 0.000 1.093 1173 I CA 1.531 62.724 61.300 -0.179 0.000 1.355 1173 I CB -0.147 37.742 38.000 -0.185 0.000 1.046 1173 I HN 0.272 nan 8.210 nan 0.000 0.413 1174 E N 0.302 120.281 120.200 -0.369 0.000 2.070 1174 E HA -0.322 4.028 4.350 0.000 0.000 0.197 1174 E C 2.158 178.713 176.600 -0.075 0.000 1.004 1174 E CA 1.976 58.235 56.400 -0.236 0.000 0.805 1174 E CB -0.108 29.414 29.700 -0.297 0.000 0.744 1174 E HN 0.392 nan 8.360 nan 0.000 0.451 1175 M N 0.299 119.847 119.600 -0.085 0.000 2.267 1175 M HA -0.146 4.334 4.480 0.000 0.000 0.263 1175 M C 1.953 178.241 176.300 -0.020 0.000 1.063 1175 M CA 0.871 56.146 55.300 -0.041 0.000 1.090 1175 M CB -0.311 32.264 32.600 -0.043 0.000 1.392 1175 M HN 0.232 nan 8.290 nan 0.000 0.422 1176 L N -1.741 119.472 121.223 -0.016 0.000 2.270 1176 L HA -0.048 4.292 4.340 0.000 0.000 0.210 1176 L C 1.988 178.889 176.870 0.053 0.000 1.104 1176 L CA 1.830 56.675 54.840 0.009 0.000 0.804 1176 L CB -0.961 41.100 42.059 0.004 0.000 0.937 1176 L HN 0.300 nan 8.230 nan 0.000 0.450 1177 H N -0.051 118.983 119.070 -0.061 0.000 2.312 1177 H HA 0.060 4.616 4.556 0.000 0.000 0.327 1177 H C 2.005 177.315 175.328 -0.030 0.000 1.111 1177 H CA 2.032 58.054 56.048 -0.044 0.000 1.578 1177 H CB -0.165 29.566 29.762 -0.052 0.000 1.494 1177 H HN 0.221 nan 8.280 nan 0.000 0.583 1178 N N 0.241 118.943 118.700 0.003 0.000 2.192 1178 N HA -0.210 4.530 4.740 0.000 0.000 0.188 1178 N C 0.196 175.669 175.510 -0.062 0.000 1.013 1178 N CA 0.989 54.001 53.050 -0.064 0.000 0.863 1178 N CB 0.143 38.636 38.487 0.010 0.000 0.990 1178 N HN 0.277 nan 8.380 nan 0.000 0.430 1179 R N 0.185 120.663 120.500 -0.036 0.000 3.656 1179 R HA -0.184 4.156 4.340 0.000 0.000 0.297 1179 R C -0.657 175.635 176.300 -0.013 0.000 1.166 1179 R CA 0.757 56.842 56.100 -0.026 0.000 0.799 1179 R CB -1.843 28.436 30.300 -0.036 0.000 1.285 1179 R HN 0.483 nan 8.270 nan 0.000 0.477 1180 N N -0.539 118.156 118.700 -0.008 0.000 2.718 1180 N HA 0.727 5.467 4.740 0.000 0.000 0.298 1180 N C 0.512 176.024 175.510 0.004 0.000 1.369 1180 N CA 0.447 53.497 53.050 -0.000 0.000 0.839 1180 N CB 0.350 38.839 38.487 0.004 0.000 1.108 1180 N HN 0.288 nan 8.380 nan 0.000 0.489 1181 G N -2.342 106.462 108.800 0.007 0.000 2.320 1181 G HA2 0.341 4.301 3.960 0.000 0.000 0.297 1181 G HA3 0.341 4.301 3.960 0.000 0.000 0.297 1181 G C -2.419 172.488 174.900 0.013 0.000 1.344 1181 G CA -0.489 44.617 45.100 0.010 0.000 0.851 1181 G HN 0.807 nan 8.290 nan 0.000 0.567 1182 D N -0.399 120.010 120.400 0.014 0.000 2.688 1182 D HA 0.370 5.011 4.640 0.000 0.000 0.210 1182 D C -0.163 176.147 176.300 0.016 0.000 1.333 1182 D CA -0.396 53.613 54.000 0.015 0.000 0.920 1182 D CB 1.693 42.502 40.800 0.015 0.000 1.554 1182 D HN 1.379 nan 8.370 nan 0.000 0.579 1183 I N 2.978 123.558 120.570 0.016 0.000 7.627 1183 I HA -0.244 3.927 4.170 0.000 0.000 0.126 1183 I C -1.314 174.817 176.117 0.022 0.000 1.803 1183 I CA 1.637 62.948 61.300 0.018 0.000 2.130 1183 I CB -0.728 37.282 38.000 0.018 0.000 3.611 1183 I HN 0.630 nan 8.210 nan 0.000 0.197 1184 T N 2.973 117.541 114.554 0.024 0.000 2.672 1184 T HA 0.722 5.073 4.350 0.000 0.000 0.302 1184 T C -0.748 173.970 174.700 0.030 0.000 1.863 1184 T CA -0.135 61.983 62.100 0.029 0.000 0.979 1184 T CB 0.832 69.720 68.868 0.033 0.000 1.905 1184 T HN 1.781 nan 8.240 nan 0.000 0.507 1185 G N 1.353 110.175 108.800 0.036 0.000 2.093 1185 G HA2 0.519 4.480 3.960 0.000 0.000 0.298 1185 G HA3 0.519 4.480 3.960 0.000 0.000 0.298 1185 G C -1.513 173.410 174.900 0.039 0.000 1.713 1185 G CA -0.498 44.623 45.100 0.035 0.000 0.907 1185 G HN 0.825 nan 8.290 nan 0.000 0.702 1186 I N 2.860 123.463 120.570 0.055 0.000 2.678 1186 I HA 0.170 4.340 4.170 0.000 0.000 0.269 1186 I C -2.642 173.507 176.117 0.054 0.000 1.323 1186 I CA -1.487 59.843 61.300 0.050 0.000 0.982 1186 I CB 2.780 40.839 38.000 0.098 0.000 1.321 1186 I HN 0.150 nan 8.210 nan 0.000 0.519 1187 P HA 0.009 nan 4.420 nan 0.000 0.263 1187 P C 1.175 178.420 177.300 -0.091 0.000 1.247 1187 P CA 0.370 63.455 63.100 -0.026 0.000 0.876 1187 P CB 0.632 32.295 31.700 -0.061 0.000 0.928 1188 T N 3.051 117.602 114.554 -0.005 0.000 2.918 1188 T HA -0.128 4.222 4.350 0.000 0.000 0.271 1188 T C 1.560 176.041 174.700 -0.366 0.000 1.104 1188 T CA 1.999 64.060 62.100 -0.066 0.000 1.114 1188 T CB -1.040 68.005 68.868 0.296 0.000 0.855 1188 T HN 0.668 nan 8.240 nan 0.000 0.518 1189 G N 0.005 108.577 108.800 -0.380 0.000 2.159 1189 G HA2 -0.197 3.763 3.960 0.000 0.000 0.256 1189 G HA3 -0.197 3.763 3.960 0.000 0.000 0.256 1189 G C -0.021 174.341 174.900 -0.897 0.000 0.977 1189 G CA 0.165 44.863 45.100 -0.670 0.000 0.652 1189 G HN 0.568 nan 8.290 nan 0.000 0.531 1190 F N 0.960 120.945 119.950 0.059 0.000 2.949 1190 F HA 0.384 4.911 4.527 0.001 0.000 0.376 1190 F C 1.489 177.341 175.800 0.087 0.000 1.205 1190 F CA -0.530 57.519 58.000 0.082 0.000 1.155 1190 F CB 0.464 39.542 39.000 0.130 0.000 1.495 1190 F HN 0.146 nan 8.300 nan 0.000 0.551 1191 T N -2.396 112.268 114.554 0.183 0.000 2.755 1191 T HA -0.363 3.988 4.350 0.000 0.000 0.266 1191 T C 1.721 176.504 174.700 0.139 0.000 1.041 1191 T CA 2.189 64.365 62.100 0.127 0.000 1.147 1191 T CB -0.121 68.800 68.868 0.087 0.000 0.847 1191 T HN 0.486 nan 8.240 nan 0.000 0.478 1192 E N 1.222 121.524 120.200 0.171 0.000 2.033 1192 E HA -0.101 4.250 4.350 0.000 0.000 0.199 1192 E C 2.121 178.809 176.600 0.146 0.000 1.011 1192 E CA 1.599 58.079 56.400 0.133 0.000 0.815 1192 E CB -0.554 29.220 29.700 0.122 0.000 0.755 1192 E HN 0.629 nan 8.360 nan 0.000 0.451 1193 L N 0.476 121.836 121.223 0.228 0.000 2.109 1193 L HA -0.132 4.209 4.340 0.000 0.000 0.207 1193 L C 2.113 179.105 176.870 0.203 0.000 1.086 1193 L CA 1.020 56.008 54.840 0.247 0.000 0.760 1193 L CB -0.412 41.906 42.059 0.431 0.000 0.910 1193 L HN 0.208 nan 8.230 nan 0.000 0.437 1194 D N -0.140 120.380 120.400 0.200 0.000 2.221 1194 D HA -0.201 4.440 4.640 0.000 0.000 0.204 1194 D C 2.235 178.588 176.300 0.089 0.000 0.982 1194 D CA 0.882 54.966 54.000 0.140 0.000 0.857 1194 D CB -0.015 40.845 40.800 0.100 0.000 0.934 1194 D HN 0.228 nan 8.370 nan 0.000 0.475 1195 R N 0.457 121.005 120.500 0.081 0.000 2.100 1195 R HA 0.042 4.382 4.340 0.000 0.000 0.220 1195 R C 1.622 177.941 176.300 0.032 0.000 1.091 1195 R CA 0.401 56.529 56.100 0.048 0.000 0.986 1195 R CB -0.044 30.283 30.300 0.044 0.000 0.888 1195 R HN 0.123 nan 8.270 nan 0.000 0.444 1196 M N 1.138 120.760 119.600 0.038 0.000 2.639 1196 M HA 0.055 4.535 4.480 0.000 0.000 0.220 1196 M C 0.512 176.798 176.300 -0.025 0.000 1.155 1196 M CA 0.846 56.151 55.300 0.009 0.000 1.003 1196 M CB 0.547 33.156 32.600 0.015 0.000 1.725 1196 M HN 0.262 nan 8.290 nan 0.000 0.489 1197 T N -5.875 108.669 114.554 -0.017 0.000 3.265 1197 T HA 0.020 4.371 4.350 0.000 0.000 0.263 1197 T C 0.833 175.529 174.700 -0.007 0.000 0.862 1197 T CA 0.580 62.648 62.100 -0.053 0.000 0.900 1197 T CB 0.025 68.805 68.868 -0.147 0.000 1.260 1197 T HN 0.270 nan 8.240 nan 0.000 0.547 1198 S N 0.647 116.364 115.700 0.029 0.000 3.261 1198 S HA 0.155 4.625 4.470 0.000 0.000 0.287 1198 S C 0.924 175.558 174.600 0.056 0.000 1.281 1198 S CA 1.524 59.746 58.200 0.037 0.000 1.053 1198 S CB -1.914 61.297 63.200 0.019 0.000 1.251 1198 S HN 2.607 nan 8.310 nan 0.000 0.659 1199 G N -0.339 108.515 108.800 0.090 0.000 2.397 1199 G HA2 0.305 4.266 3.960 0.000 0.000 0.453 1199 G HA3 0.305 4.266 3.960 0.000 0.000 0.453 1199 G C -0.891 174.111 174.900 0.171 0.000 1.579 1199 G CA -0.425 44.761 45.100 0.143 0.000 0.906 1199 G HN 0.671 nan 8.290 nan 0.000 0.675 1200 F N 3.425 123.387 119.950 0.019 0.000 2.600 1200 F HA 0.253 4.780 4.527 0.000 0.000 0.345 1200 F C 1.555 177.367 175.800 0.020 0.000 1.271 1200 F CA -0.215 57.799 58.000 0.023 0.000 1.138 1200 F CB 0.518 39.529 39.000 0.019 0.000 1.449 1200 F HN 0.338 nan 8.300 nan 0.000 0.645 1201 Q N 2.844 122.695 119.800 0.086 0.000 2.379 1201 Q HA -0.117 4.223 4.340 0.000 0.000 0.320 1201 Q C 0.641 176.690 176.000 0.082 0.000 1.153 1201 Q CA 0.370 56.212 55.803 0.065 0.000 0.993 1201 Q CB 0.363 29.115 28.738 0.023 0.000 1.265 1201 Q HN 0.660 nan 8.270 nan 0.000 0.423 1202 R N -0.230 120.312 120.500 0.069 0.000 2.641 1202 R HA 0.221 4.561 4.340 0.000 0.000 0.269 1202 R C 0.242 176.576 176.300 0.055 0.000 1.074 1202 R CA 0.075 56.214 56.100 0.065 0.000 1.133 1202 R CB 0.374 30.709 30.300 0.057 0.000 1.029 1202 R HN 0.580 nan 8.270 nan 0.000 0.488 1203 S N -0.833 114.897 115.700 0.050 0.000 3.445 1203 S HA -0.148 4.323 4.470 0.000 0.000 0.319 1203 S C -0.621 174.002 174.600 0.038 0.000 1.209 1203 S CA 1.674 59.898 58.200 0.040 0.000 0.934 1203 S CB -1.177 62.046 63.200 0.039 0.000 0.999 1203 S HN 0.821 nan 8.310 nan 0.000 0.582 1204 D N 0.313 120.741 120.400 0.046 0.000 2.163 1204 D HA 0.587 5.227 4.640 0.000 0.000 0.248 1204 D C -0.378 175.949 176.300 0.046 0.000 1.035 1204 D CA -0.455 53.568 54.000 0.037 0.000 0.872 1204 D CB 1.152 41.967 40.800 0.025 0.000 1.183 1204 D HN 0.159 nan 8.370 nan 0.000 0.445 1205 L N 3.938 125.180 121.223 0.032 0.000 2.265 1205 L HA 0.441 4.781 4.340 0.000 0.000 0.289 1205 L C -1.124 175.771 176.870 0.041 0.000 1.033 1205 L CA -0.353 54.508 54.840 0.036 0.000 0.814 1205 L CB 0.675 42.746 42.059 0.021 0.000 1.203 1205 L HN 0.238 nan 8.230 nan 0.000 0.423 1206 I N 5.946 126.562 120.570 0.078 0.000 2.498 1206 I HA 0.514 4.684 4.170 0.000 0.000 0.301 1206 I C -0.171 175.994 176.117 0.080 0.000 0.984 1206 I CA -0.179 61.180 61.300 0.099 0.000 1.204 1206 I CB 1.511 39.659 38.000 0.245 0.000 1.362 1206 I HN 0.413 nan 8.210 nan 0.000 0.471 1207 I N 4.818 125.420 120.570 0.053 0.000 2.656 1207 I HA 0.464 4.634 4.170 0.000 0.000 0.292 1207 I C -1.248 174.846 176.117 -0.038 0.000 1.144 1207 I CA -0.989 60.316 61.300 0.007 0.000 1.038 1207 I CB 2.432 40.411 38.000 -0.034 0.000 1.244 1207 I HN 0.320 nan 8.210 nan 0.000 0.420 1208 V N 2.454 122.340 119.914 -0.047 0.000 2.419 1208 V HA 0.892 5.012 4.120 0.000 0.000 0.287 1208 V C -0.251 175.715 176.094 -0.212 0.000 1.017 1208 V CA -0.377 61.855 62.300 -0.113 0.000 0.844 1208 V CB 1.159 33.037 31.823 0.092 0.000 1.011 1208 V HN 0.754 nan 8.190 nan 0.000 0.429 1209 A N 4.057 126.578 122.820 -0.499 0.000 2.306 1209 A HA 1.089 5.409 4.320 0.000 0.000 0.330 1209 A C 0.294 177.727 177.584 -0.252 0.000 1.146 1209 A CA 0.033 51.814 52.037 -0.426 0.000 0.827 1209 A CB 1.584 20.210 19.000 -0.623 0.000 1.178 1209 A HN 2.588 nan 8.150 nan 0.000 0.490 1210 A N 1.115 123.904 122.820 -0.052 0.000 2.515 1210 A HA 0.696 5.017 4.320 0.000 0.000 0.292 1210 A C -0.562 177.035 177.584 0.022 0.000 1.065 1210 A CA -0.620 51.435 52.037 0.029 0.000 0.641 1210 A CB 0.640 19.628 19.000 -0.021 0.000 1.306 1210 A HN 1.376 nan 8.150 nan 0.000 0.441 1211 R N -0.201 120.312 120.500 0.023 0.000 2.573 1211 R HA 0.685 5.025 4.340 0.000 0.000 0.272 1211 R C -2.777 173.514 176.300 -0.014 0.000 1.009 1211 R CA -1.656 54.445 56.100 0.001 0.000 1.059 1211 R CB -0.170 30.134 30.300 0.007 0.000 1.112 1211 R HN 0.327 nan 8.270 nan 0.000 0.517 1212 P HA -0.057 nan 4.420 nan 0.000 0.260 1212 P C -0.753 176.542 177.300 -0.009 0.000 1.172 1212 P CA 0.789 63.877 63.100 -0.021 0.000 0.760 1212 P CB 0.599 32.285 31.700 -0.023 0.000 0.773 1213 S N 1.132 116.830 115.700 -0.003 0.000 3.783 1213 S HA -0.093 4.377 4.470 0.000 0.000 0.497 1213 S C 0.359 174.957 174.600 -0.004 0.000 0.804 1213 S CA 0.596 58.796 58.200 0.001 0.000 1.361 1213 S CB -1.079 62.121 63.200 0.001 0.000 0.873 1213 S HN 0.530 nan 8.310 nan 0.000 0.671 1214 V N 0.458 120.369 119.914 -0.005 0.000 3.264 1214 V HA 0.584 4.704 4.120 0.000 0.000 0.262 1214 V C 0.942 177.029 176.094 -0.012 0.000 1.616 1214 V CA 1.395 63.684 62.300 -0.019 0.000 1.033 1214 V CB 0.807 32.612 31.823 -0.030 0.000 0.865 1214 V HN 1.965 nan 8.190 nan 0.000 0.420 1215 G N 2.184 110.990 108.800 0.010 0.000 2.309 1215 G HA2 -0.203 3.758 3.960 0.000 0.000 0.183 1215 G HA3 -0.203 3.758 3.960 0.000 0.000 0.183 1215 G C 0.563 175.510 174.900 0.078 0.000 1.063 1215 G CA 0.587 45.712 45.100 0.041 0.000 0.768 1215 G HN 0.778 nan 8.290 nan 0.000 0.490 1216 K N -1.185 119.254 120.400 0.064 0.000 2.074 1216 K HA -0.126 4.194 4.320 0.000 0.000 0.209 1216 K C 1.976 178.670 176.600 0.156 0.000 1.048 1216 K CA 2.114 58.460 56.287 0.099 0.000 0.926 1216 K CB -0.439 32.096 32.500 0.060 0.000 0.713 1216 K HN 0.230 nan 8.250 nan 0.000 0.444 1217 T N 0.694 115.323 114.554 0.124 0.000 2.942 1217 T HA 0.103 4.453 4.350 0.000 0.000 0.265 1217 T C 2.090 176.853 174.700 0.105 0.000 1.062 1217 T CA 0.795 62.964 62.100 0.114 0.000 1.139 1217 T CB -0.145 68.782 68.868 0.099 0.000 0.883 1217 T HN 0.459 nan 8.240 nan 0.000 0.468 1218 A N 1.481 124.367 122.820 0.110 0.000 1.851 1218 A HA -0.096 4.224 4.320 0.000 0.000 0.216 1218 A C 1.984 179.656 177.584 0.147 0.000 1.195 1218 A CA 1.545 53.645 52.037 0.104 0.000 0.622 1218 A CB -1.183 17.873 19.000 0.093 0.000 0.831 1218 A HN 0.506 nan 8.150 nan 0.000 0.444 1219 F N 0.640 120.596 119.950 0.011 0.000 2.043 1219 F HA -0.166 4.361 4.527 0.001 0.000 0.297 1219 F C 2.671 178.499 175.800 0.046 0.000 1.121 1219 F CA 1.705 59.714 58.000 0.015 0.000 1.199 1219 F CB -0.376 38.619 39.000 -0.008 0.000 0.968 1219 F HN 0.314 nan 8.300 nan 0.000 0.478 1220 A N 0.821 123.658 122.820 0.027 0.000 1.881 1220 A HA -0.280 4.040 4.320 0.000 0.000 0.219 1220 A C 2.012 179.526 177.584 -0.117 0.000 1.215 1220 A CA 2.258 54.246 52.037 -0.082 0.000 0.648 1220 A CB -1.333 17.688 19.000 0.036 0.000 0.832 1220 A HN 0.440 nan 8.150 nan 0.000 0.455 1221 L N 0.342 121.541 121.223 -0.040 0.000 2.042 1221 L HA -0.196 4.144 4.340 0.000 0.000 0.210 1221 L C 2.261 179.092 176.870 -0.064 0.000 1.076 1221 L CA 1.643 56.458 54.840 -0.042 0.000 0.749 1221 L CB -2.001 40.053 42.059 -0.008 0.000 0.893 1221 L HN 0.440 nan 8.230 nan 0.000 0.432 1222 N N 0.420 119.098 118.700 -0.037 0.000 2.020 1222 N HA -0.255 4.485 4.740 0.000 0.000 0.199 1222 N C 1.911 177.374 175.510 -0.078 0.000 1.059 1222 N CA 2.026 55.093 53.050 0.028 0.000 0.877 1222 N CB -0.533 38.050 38.487 0.161 0.000 1.078 1222 N HN 0.274 nan 8.380 nan 0.000 0.452 1223 I N 1.512 121.951 120.570 -0.219 0.000 2.065 1223 I HA -0.355 3.816 4.170 0.000 0.000 0.236 1223 I C 2.453 178.408 176.117 -0.269 0.000 1.028 1223 I CA 1.814 62.922 61.300 -0.320 0.000 1.299 1223 I CB -0.700 36.978 38.000 -0.537 0.000 1.015 1223 I HN 0.164 nan 8.210 nan 0.000 0.396 1224 A N -0.281 122.399 122.820 -0.234 0.000 2.042 1224 A HA -0.308 4.013 4.320 0.000 0.000 0.222 1224 A C 2.224 179.723 177.584 -0.142 0.000 1.167 1224 A CA 2.074 54.011 52.037 -0.167 0.000 0.649 1224 A CB -0.724 18.206 19.000 -0.117 0.000 0.809 1224 A HN 0.621 nan 8.150 nan 0.000 0.457 1225 Q N -0.786 118.934 119.800 -0.133 0.000 2.049 1225 Q HA -0.132 4.208 4.340 0.000 0.000 0.198 1225 Q C 1.557 177.478 176.000 -0.132 0.000 0.971 1225 Q CA 1.415 57.153 55.803 -0.109 0.000 0.833 1225 Q CB -0.153 28.542 28.738 -0.072 0.000 0.896 1225 Q HN 0.718 nan 8.270 nan 0.000 0.434 1226 N N -0.231 118.360 118.700 -0.182 0.000 2.459 1226 N HA -0.075 4.665 4.740 0.000 0.000 0.181 1226 N C 1.595 176.990 175.510 -0.192 0.000 1.046 1226 N CA 0.649 53.568 53.050 -0.218 0.000 0.904 1226 N CB 0.006 38.271 38.487 -0.371 0.000 0.964 1226 N HN 0.046 nan 8.380 nan 0.000 0.444 1227 V N 0.568 120.370 119.914 -0.187 0.000 2.535 1227 V HA 0.040 4.161 4.120 0.000 0.000 0.246 1227 V C 2.216 178.242 176.094 -0.113 0.000 1.045 1227 V CA 1.578 63.785 62.300 -0.155 0.000 1.058 1227 V CB -0.732 30.987 31.823 -0.174 0.000 0.689 1227 V HN 0.280 nan 8.190 nan 0.000 0.461 1228 A N 0.710 123.462 122.820 -0.112 0.000 2.072 1228 A HA -0.062 4.259 4.320 0.000 0.000 0.216 1228 A C 2.379 179.908 177.584 -0.092 0.000 1.156 1228 A CA 1.596 53.573 52.037 -0.100 0.000 0.701 1228 A CB -0.544 18.384 19.000 -0.120 0.000 0.816 1228 A HN 0.601 nan 8.150 nan 0.000 0.458 1229 T N -2.243 112.255 114.554 -0.093 0.000 2.814 1229 T HA -0.015 4.335 4.350 0.000 0.000 0.254 1229 T C 1.813 176.471 174.700 -0.069 0.000 1.037 1229 T CA 1.544 63.596 62.100 -0.079 0.000 1.143 1229 T CB -0.166 68.655 68.868 -0.079 0.000 0.866 1229 T HN 0.206 nan 8.240 nan 0.000 0.431 1230 K N 1.661 122.014 120.400 -0.078 0.000 2.361 1230 K HA 0.259 4.579 4.320 0.000 0.000 0.196 1230 K C 0.162 176.729 176.600 -0.055 0.000 1.039 1230 K CA 0.316 56.564 56.287 -0.066 0.000 1.001 1230 K CB -0.002 32.453 32.500 -0.076 0.000 0.795 1230 K HN 0.456 nan 8.250 nan 0.000 0.495 1231 T N 0.282 114.801 114.554 -0.058 0.000 2.932 1231 T HA 0.242 4.592 4.350 0.000 0.000 0.289 1231 T C 0.343 175.023 174.700 -0.034 0.000 1.039 1231 T CA -0.821 61.253 62.100 -0.042 0.000 1.024 1231 T CB 1.451 70.292 68.868 -0.044 0.000 1.090 1231 T HN -0.034 nan 8.240 nan 0.000 0.496 1232 N N 1.061 119.750 118.700 -0.019 0.000 2.550 1232 N HA -0.032 4.708 4.740 0.000 0.000 0.186 1232 N C 0.232 175.742 175.510 -0.001 0.000 1.110 1232 N CA 0.469 53.513 53.050 -0.009 0.000 0.912 1232 N CB 0.150 38.636 38.487 -0.001 0.000 0.968 1232 N HN 0.550 nan 8.380 nan 0.000 0.448 1233 E N 1.178 121.375 120.200 -0.005 0.000 2.398 1233 E HA 0.083 4.433 4.350 0.000 0.000 0.263 1233 E C -0.107 176.499 176.600 0.009 0.000 1.046 1233 E CA 0.159 56.563 56.400 0.007 0.000 0.908 1233 E CB 0.450 30.148 29.700 -0.002 0.000 0.963 1233 E HN 0.254 nan 8.360 nan 0.000 0.431 1234 N N 0.406 119.136 118.700 0.050 0.000 2.400 1234 N HA 0.337 5.077 4.740 0.000 0.000 0.288 1234 N C -0.653 174.912 175.510 0.091 0.000 1.024 1234 N CA -0.671 52.432 53.050 0.088 0.000 0.894 1234 N CB 1.857 40.501 38.487 0.262 0.000 1.173 1234 N HN 0.213 nan 8.380 nan 0.000 0.487 1235 V N -0.414 119.523 119.914 0.038 0.000 2.513 1235 V HA 0.910 5.031 4.120 0.000 0.000 0.299 1235 V C -0.162 175.997 176.094 0.108 0.000 1.035 1235 V CA -0.819 61.510 62.300 0.048 0.000 0.889 1235 V CB 1.129 32.936 31.823 -0.027 0.000 0.988 1235 V HN 0.685 nan 8.190 nan 0.000 0.440 1236 A N 5.695 128.617 122.820 0.171 0.000 2.325 1236 A HA 0.943 5.263 4.320 0.000 0.000 0.333 1236 A C -0.540 177.166 177.584 0.203 0.000 1.155 1236 A CA -0.829 51.339 52.037 0.218 0.000 0.814 1236 A CB 0.979 20.155 19.000 0.293 0.000 1.206 1236 A HN 0.965 nan 8.150 nan 0.000 0.482 1237 I N 1.003 121.652 120.570 0.133 0.000 2.498 1237 I HA 0.398 4.568 4.170 0.000 0.000 0.290 1237 I C -1.512 174.682 176.117 0.128 0.000 1.032 1237 I CA -0.289 61.110 61.300 0.164 0.000 1.073 1237 I CB 1.994 40.025 38.000 0.053 0.000 1.251 1237 I HN 0.489 nan 8.210 nan 0.000 0.426 1238 F N 3.694 123.642 119.950 -0.003 0.000 2.375 1238 F HA 0.359 4.886 4.527 0.000 0.000 0.361 1238 F C 0.524 176.308 175.800 -0.028 0.000 1.117 1238 F CA -0.795 57.198 58.000 -0.012 0.000 1.037 1238 F CB 1.794 40.787 39.000 -0.013 0.000 1.192 1238 F HN 0.353 nan 8.300 nan 0.000 0.452 1239 S N 3.418 119.159 115.700 0.068 0.000 2.437 1239 S HA 0.594 5.064 4.470 0.000 0.000 0.305 1239 S C -0.026 174.559 174.600 -0.026 0.000 1.109 1239 S CA -0.671 57.538 58.200 0.015 0.000 1.099 1239 S CB 1.405 64.602 63.200 -0.006 0.000 1.004 1239 S HN 0.475 nan 8.310 nan 0.000 0.475 1240 L N 2.273 123.440 121.223 -0.094 0.000 2.590 1240 L HA 0.460 4.801 4.340 0.000 0.000 0.227 1240 L C 2.016 178.786 176.870 -0.167 0.000 1.099 1240 L CA 0.826 55.579 54.840 -0.144 0.000 0.872 1240 L CB -0.270 41.654 42.059 -0.224 0.000 1.088 1240 L HN 0.886 nan 8.230 nan 0.000 0.479 1241 E N 0.087 120.197 120.200 -0.150 0.000 2.562 1241 E HA 0.216 4.567 4.350 0.000 0.000 0.214 1241 E C 0.185 176.772 176.600 -0.022 0.000 0.979 1241 E CA 0.051 56.404 56.400 -0.079 0.000 1.002 1241 E CB 0.545 30.225 29.700 -0.032 0.000 1.048 1241 E HN 0.357 nan 8.360 nan 0.000 0.488 1242 M N -1.180 118.405 119.600 -0.025 0.000 2.683 1242 M HA 0.490 4.970 4.480 0.000 0.000 0.274 1242 M C -0.546 175.742 176.300 -0.020 0.000 1.272 1242 M CA -1.134 54.159 55.300 -0.012 0.000 0.833 1242 M CB 1.755 34.356 32.600 0.001 0.000 1.708 1242 M HN -0.164 nan 8.290 nan 0.000 0.463 1243 S N 0.543 116.233 115.700 -0.017 0.000 2.610 1243 S HA 0.666 5.136 4.470 0.000 0.000 0.273 1243 S C 1.044 175.629 174.600 -0.025 0.000 1.274 1243 S CA -0.285 57.902 58.200 -0.022 0.000 1.023 1243 S CB 1.474 64.663 63.200 -0.018 0.000 0.962 1243 S HN 1.030 nan 8.310 nan 0.000 0.523 1244 A N 1.301 124.102 122.820 -0.032 0.000 2.093 1244 A HA -0.164 4.156 4.320 0.000 0.000 0.222 1244 A C 2.214 179.779 177.584 -0.031 0.000 1.162 1244 A CA 1.509 53.524 52.037 -0.036 0.000 0.655 1244 A CB -0.717 18.259 19.000 -0.040 0.000 0.805 1244 A HN 0.821 nan 8.150 nan 0.000 0.461 1245 Q N -0.656 119.129 119.800 -0.026 0.000 1.984 1245 Q HA -0.140 4.200 4.340 0.000 0.000 0.196 1245 Q C 2.209 178.195 176.000 -0.022 0.000 0.975 1245 Q CA 1.455 57.244 55.803 -0.024 0.000 0.827 1245 Q CB -0.726 27.999 28.738 -0.021 0.000 0.894 1245 Q HN 0.826 nan 8.270 nan 0.000 0.438 1246 Q N 0.444 120.234 119.800 -0.017 0.000 2.224 1246 Q HA -0.233 4.107 4.340 0.000 0.000 0.213 1246 Q C 2.144 178.136 176.000 -0.012 0.000 0.998 1246 Q CA 1.385 57.180 55.803 -0.013 0.000 0.895 1246 Q CB -0.288 28.447 28.738 -0.006 0.000 0.926 1246 Q HN 0.152 nan 8.270 nan 0.000 0.417 1247 L N -0.350 120.864 121.223 -0.015 0.000 1.950 1247 L HA -0.147 4.193 4.340 0.000 0.000 0.210 1247 L C 2.285 179.141 176.870 -0.023 0.000 1.079 1247 L CA 1.500 56.331 54.840 -0.016 0.000 0.754 1247 L CB -0.922 41.125 42.059 -0.021 0.000 0.889 1247 L HN 0.124 nan 8.230 nan 0.000 0.433 1248 V N -0.124 119.772 119.914 -0.031 0.000 2.370 1248 V HA -0.342 3.778 4.120 0.000 0.000 0.252 1248 V C 2.490 178.564 176.094 -0.033 0.000 1.068 1248 V CA 2.317 64.595 62.300 -0.036 0.000 1.061 1248 V CB -0.405 31.394 31.823 -0.040 0.000 0.656 1248 V HN 0.616 nan 8.190 nan 0.000 0.455 1249 M N 0.061 119.642 119.600 -0.030 0.000 2.065 1249 M HA -0.204 4.276 4.480 0.000 0.000 0.259 1249 M C 2.290 178.573 176.300 -0.028 0.000 1.069 1249 M CA 2.421 57.702 55.300 -0.033 0.000 1.110 1249 M CB -1.127 31.454 32.600 -0.031 0.000 1.328 1249 M HN 0.337 nan 8.290 nan 0.000 0.405 1250 R N -0.312 120.176 120.500 -0.020 0.000 2.103 1250 R HA -0.120 4.220 4.340 0.000 0.000 0.242 1250 R C 2.320 178.613 176.300 -0.012 0.000 1.142 1250 R CA 2.056 58.150 56.100 -0.011 0.000 0.960 1250 R CB -0.389 29.910 30.300 -0.002 0.000 0.858 1250 R HN 0.463 nan 8.270 nan 0.000 0.439 1251 M N -0.204 119.384 119.600 -0.020 0.000 2.066 1251 M HA -0.165 4.315 4.480 0.000 0.000 0.259 1251 M C 1.858 178.143 176.300 -0.025 0.000 1.074 1251 M CA 1.697 56.982 55.300 -0.024 0.000 1.114 1251 M CB -0.404 32.174 32.600 -0.037 0.000 1.306 1251 M HN 0.188 nan 8.290 nan 0.000 0.411 1252 L N -2.287 118.917 121.223 -0.030 0.000 2.465 1252 L HA -0.016 4.324 4.340 0.000 0.000 0.224 1252 L C 2.176 179.029 176.870 -0.029 0.000 1.145 1252 L CA 1.066 55.889 54.840 -0.030 0.000 0.834 1252 L CB -1.812 40.227 42.059 -0.033 0.000 0.944 1252 L HN 0.275 nan 8.230 nan 0.000 0.451 1253 C N 0.218 119.501 119.300 -0.027 0.000 2.466 1253 C HA 0.164 4.624 4.460 0.000 0.000 0.278 1253 C C 2.947 177.929 174.990 -0.013 0.000 1.288 1253 C CA 0.839 59.841 59.018 -0.026 0.000 1.722 1253 C CB -0.949 26.776 27.740 -0.024 0.000 2.017 1253 C HN 0.746 nan 8.230 nan 0.000 0.488 1254 A N -0.608 122.209 122.820 -0.004 0.000 2.081 1254 A HA -0.009 4.311 4.320 0.000 0.000 0.214 1254 A C 1.880 179.468 177.584 0.007 0.000 1.158 1254 A CA 1.349 53.392 52.037 0.009 0.000 0.724 1254 A CB -0.427 18.587 19.000 0.024 0.000 0.826 1254 A HN 0.580 nan 8.150 nan 0.000 0.463 1255 E N 0.045 120.241 120.200 -0.006 0.000 2.371 1255 E HA 0.049 4.399 4.350 0.000 0.000 0.194 1255 E C 1.576 178.172 176.600 -0.008 0.000 1.012 1255 E CA 1.153 57.548 56.400 -0.010 0.000 0.860 1255 E CB -0.312 29.376 29.700 -0.020 0.000 0.811 1255 E HN 0.373 nan 8.360 nan 0.000 0.502 1256 G N -0.634 108.160 108.800 -0.009 0.000 2.939 1256 G HA2 0.075 4.035 3.960 0.000 0.000 0.216 1256 G HA3 0.075 4.035 3.960 0.000 0.000 0.216 1256 G C -0.026 174.871 174.900 -0.005 0.000 1.125 1256 G CA 0.031 45.125 45.100 -0.009 0.000 0.766 1256 G HN 0.138 nan 8.290 nan 0.000 0.541 1269 T N -2.300 112.265 114.554 0.018 0.000 2.944 1269 T HA 0.519 4.869 4.350 0.000 0.000 0.284 1269 T C -2.238 172.568 174.700 0.178 0.000 1.010 1269 T CA -2.000 60.157 62.100 0.095 0.000 1.025 1269 T CB 2.144 71.045 68.868 0.055 0.000 1.079 1269 T HN 0.299 nan 8.240 nan 0.000 0.516 1270 P HA -0.073 nan 4.420 nan 0.000 0.218 1270 P C 1.287 178.701 177.300 0.189 0.000 1.148 1270 P CA 0.945 64.197 63.100 0.252 0.000 0.822 1270 P CB 0.114 31.894 31.700 0.134 0.000 0.784 1271 E N -0.740 119.527 120.200 0.111 0.000 2.268 1271 E HA -0.178 4.173 4.350 0.000 0.000 0.195 1271 E C 1.068 177.709 176.600 0.069 0.000 0.995 1271 E CA 0.894 57.340 56.400 0.077 0.000 0.836 1271 E CB -0.169 29.558 29.700 0.046 0.000 0.763 1271 E HN 0.196 nan 8.360 nan 0.000 0.491 1272 D N -0.512 119.922 120.400 0.057 0.000 2.120 1272 D HA -0.119 4.521 4.640 0.000 0.000 0.202 1272 D C 1.322 177.626 176.300 0.008 0.000 0.972 1272 D CA 0.660 54.650 54.000 -0.017 0.000 0.837 1272 D CB -0.589 40.148 40.800 -0.105 0.000 0.989 1272 D HN 0.313 nan 8.370 nan 0.000 0.469 1273 W N 1.709 123.008 121.300 -0.002 0.000 2.335 1273 W HA -0.110 4.551 4.660 0.000 0.000 0.311 1273 W C 2.515 179.032 176.519 -0.004 0.000 1.213 1273 W CA 1.537 58.880 57.345 -0.003 0.000 1.274 1273 W CB -0.427 29.031 29.460 -0.003 0.000 1.148 1273 W HN 0.049 nan 8.180 nan 0.000 0.498 1274 G N 0.559 109.512 108.800 0.255 0.000 2.394 1274 G HA2 -0.270 3.690 3.960 0.000 0.000 0.214 1274 G HA3 -0.270 3.690 3.960 0.000 0.000 0.214 1274 G C 1.365 176.322 174.900 0.095 0.000 1.176 1274 G CA 1.316 46.503 45.100 0.145 0.000 0.786 1274 G HN 0.372 nan 8.290 nan 0.000 0.533 1275 K N 0.065 120.508 120.400 0.070 0.000 2.148 1275 K HA 0.162 4.482 4.320 0.000 0.000 0.204 1275 K C 2.330 178.945 176.600 0.025 0.000 1.050 1275 K CA 0.833 57.141 56.287 0.036 0.000 0.942 1275 K CB -0.378 32.134 32.500 0.020 0.000 0.724 1275 K HN 0.333 nan 8.250 nan 0.000 0.446 1276 L N 2.149 123.387 121.223 0.024 0.000 2.005 1276 L HA -0.167 4.174 4.340 0.000 0.000 0.207 1276 L C 2.618 179.508 176.870 0.034 0.000 1.072 1276 L CA 2.067 56.905 54.840 -0.004 0.000 0.744 1276 L CB -0.646 41.367 42.059 -0.076 0.000 0.895 1276 L HN 0.537 nan 8.230 nan 0.000 0.433 1277 T N -2.545 112.065 114.554 0.094 0.000 2.720 1277 T HA -0.348 4.002 4.350 0.000 0.000 0.268 1277 T C 1.763 176.493 174.700 0.050 0.000 1.037 1277 T CA 1.790 63.946 62.100 0.093 0.000 1.144 1277 T CB -0.508 68.435 68.868 0.125 0.000 0.864 1277 T HN 0.278 nan 8.240 nan 0.000 0.444 1278 M N 1.608 121.233 119.600 0.042 0.000 2.080 1278 M HA -0.007 4.473 4.480 0.000 0.000 0.260 1278 M C 2.585 178.891 176.300 0.010 0.000 1.068 1278 M CA 2.009 57.323 55.300 0.023 0.000 1.109 1278 M CB -0.506 32.107 32.600 0.021 0.000 1.342 1278 M HN 0.411 nan 8.290 nan 0.000 0.405 1279 A N 0.347 123.170 122.820 0.006 0.000 1.898 1279 A HA -0.196 4.124 4.320 0.000 0.000 0.216 1279 A C 2.093 179.671 177.584 -0.010 0.000 1.181 1279 A CA 2.051 54.084 52.037 -0.006 0.000 0.620 1279 A CB -0.812 18.181 19.000 -0.012 0.000 0.819 1279 A HN 0.765 nan 8.150 nan 0.000 0.442 1280 M N 0.179 119.777 119.600 -0.002 0.000 2.086 1280 M HA 0.066 4.547 4.480 0.000 0.000 0.261 1280 M C 1.912 178.209 176.300 -0.005 0.000 1.067 1280 M CA 2.398 57.696 55.300 -0.004 0.000 1.116 1280 M CB -1.463 31.143 32.600 0.011 0.000 1.348 1280 M HN 0.111 nan 8.290 nan 0.000 0.407 1281 G N -0.545 108.257 108.800 0.003 0.000 2.446 1281 G HA2 -0.225 3.736 3.960 0.000 0.000 0.217 1281 G HA3 -0.225 3.736 3.960 0.000 0.000 0.217 1281 G C 1.664 176.557 174.900 -0.012 0.000 1.168 1281 G CA 1.161 46.261 45.100 -0.001 0.000 0.771 1281 G HN 0.577 nan 8.290 nan 0.000 0.551 1282 S N -0.330 115.362 115.700 -0.014 0.000 2.368 1282 S HA -0.069 4.401 4.470 0.000 0.000 0.225 1282 S C 2.218 176.796 174.600 -0.035 0.000 1.030 1282 S CA 1.347 59.533 58.200 -0.023 0.000 0.999 1282 S CB -0.225 62.962 63.200 -0.022 0.000 0.844 1282 S HN 0.193 nan 8.310 nan 0.000 0.459 1283 L N 0.951 122.152 121.223 -0.037 0.000 2.418 1283 L HA 0.252 4.592 4.340 0.000 0.000 0.218 1283 L C 2.346 179.181 176.870 -0.058 0.000 1.125 1283 L CA 1.283 56.091 54.840 -0.053 0.000 0.835 1283 L CB -0.758 41.271 42.059 -0.051 0.000 0.953 1283 L HN 0.335 nan 8.230 nan 0.000 0.454 1284 S N -0.037 115.637 115.700 -0.042 0.000 2.348 1284 S HA -0.182 4.288 4.470 0.000 0.000 0.221 1284 S C 1.784 176.354 174.600 -0.049 0.000 1.033 1284 S CA 1.622 59.798 58.200 -0.041 0.000 1.010 1284 S CB -0.290 62.896 63.200 -0.023 0.000 0.891 1284 S HN 0.617 nan 8.310 nan 0.000 0.442 1285 N N 2.057 120.732 118.700 -0.041 0.000 2.364 1285 N HA 0.040 4.780 4.740 0.000 0.000 0.183 1285 N C 0.694 176.168 175.510 -0.059 0.000 1.022 1285 N CA 0.784 53.810 53.050 -0.040 0.000 0.883 1285 N CB -0.796 37.673 38.487 -0.030 0.000 0.965 1285 N HN 0.519 nan 8.380 nan 0.000 0.438 1286 A N 0.564 123.339 122.820 -0.076 0.000 2.445 1286 A HA 0.484 4.805 4.320 0.000 0.000 0.242 1286 A C 0.818 178.308 177.584 -0.158 0.000 1.075 1286 A CA 0.108 52.084 52.037 -0.103 0.000 0.777 1286 A CB 0.201 19.139 19.000 -0.103 0.000 1.013 1286 A HN 0.191 nan 8.150 nan 0.000 0.493 1287 G N 1.193 109.879 108.800 -0.191 0.000 2.547 1287 G HA2 0.542 4.502 3.960 0.000 0.000 0.327 1287 G HA3 0.542 4.502 3.960 0.000 0.000 0.327 1287 G C -0.498 174.102 174.900 -0.501 0.000 1.118 1287 G CA -0.284 44.609 45.100 -0.345 0.000 1.022 1287 G HN 0.609 nan 8.290 nan 0.000 0.464 1288 I N 0.928 121.103 120.570 -0.657 0.000 2.892 1288 I HA 0.526 4.697 4.170 0.000 0.000 0.306 1288 I C -1.270 174.380 176.117 -0.779 0.000 1.078 1288 I CA -1.195 59.791 61.300 -0.523 0.000 1.032 1288 I CB 2.823 40.671 38.000 -0.254 0.000 1.229 1288 I HN 0.314 nan 8.210 nan 0.000 0.435 1289 Y N 3.982 124.251 120.300 -0.051 0.000 2.396 1289 Y HA 0.610 5.161 4.550 0.000 0.000 0.332 1289 Y C -0.316 175.510 175.900 -0.123 0.000 1.034 1289 Y CA -0.623 57.431 58.100 -0.078 0.000 1.057 1289 Y CB 1.680 40.101 38.460 -0.065 0.000 1.220 1289 Y HN 0.225 nan 8.280 nan 0.000 0.440 1290 I N 1.835 122.395 120.570 -0.017 0.000 3.170 1290 I HA 0.583 4.754 4.170 0.000 0.000 0.312 1290 I C -1.112 174.863 176.117 -0.236 0.000 1.085 1290 I CA -1.004 60.217 61.300 -0.132 0.000 0.999 1290 I CB 2.499 40.445 38.000 -0.089 0.000 1.233 1290 I HN 0.484 nan 8.210 nan 0.000 0.467 1291 D N 2.012 122.224 120.400 -0.312 0.000 2.886 1291 D HA 0.202 4.843 4.640 0.000 0.000 0.216 1291 D C -2.189 174.001 176.300 -0.184 0.000 1.256 1291 D CA -0.304 53.510 54.000 -0.310 0.000 0.844 1291 D CB 2.289 42.756 40.800 -0.556 0.000 1.669 1291 D HN 0.649 nan 8.370 nan 0.000 0.513 1292 D N 1.898 122.232 120.400 -0.110 0.000 2.402 1292 D HA 0.296 4.936 4.640 0.000 0.000 0.252 1292 D C -0.929 175.343 176.300 -0.047 0.000 1.294 1292 D CA -0.380 53.581 54.000 -0.064 0.000 0.948 1292 D CB 1.051 41.820 40.800 -0.052 0.000 1.202 1292 D HN 0.232 nan 8.370 nan 0.000 0.561 1293 T N 0.001 114.537 114.554 -0.030 0.000 2.893 1293 T HA 0.499 4.849 4.350 0.000 0.000 0.291 1293 T C -1.943 172.747 174.700 -0.017 0.000 1.028 1293 T CA -1.654 60.435 62.100 -0.018 0.000 0.995 1293 T CB 1.970 70.836 68.868 -0.003 0.000 1.051 1293 T HN -0.103 nan 8.240 nan 0.000 0.470 1294 P HA -0.088 nan 4.420 nan 0.000 0.203 1294 P C 0.473 177.759 177.300 -0.024 0.000 1.087 1294 P CA 0.881 63.969 63.100 -0.019 0.000 0.952 1294 P CB 0.045 31.739 31.700 -0.010 0.000 0.758 1295 S N -1.894 113.800 115.700 -0.011 0.000 2.648 1295 S HA 0.678 5.148 4.470 0.000 0.000 0.305 1295 S C -0.696 173.908 174.600 0.007 0.000 1.094 1295 S CA -0.832 57.362 58.200 -0.009 0.000 0.983 1295 S CB 0.199 63.398 63.200 -0.002 0.000 1.101 1295 S HN 0.030 nan 8.310 nan 0.000 0.514 1296 I N 1.232 121.810 120.570 0.013 0.000 3.074 1296 I HA 0.598 4.769 4.170 0.000 0.000 0.310 1296 I C -1.378 174.751 176.117 0.020 0.000 1.153 1296 I CA -1.067 60.252 61.300 0.033 0.000 0.993 1296 I CB 1.900 39.945 38.000 0.074 0.000 1.237 1296 I HN 0.635 nan 8.210 nan 0.000 0.443 1297 R N 3.447 123.962 120.500 0.024 0.000 2.445 1297 R HA 0.325 4.665 4.340 0.000 0.000 0.308 1297 R C 0.875 177.173 176.300 -0.004 0.000 0.961 1297 R CA -0.543 55.562 56.100 0.009 0.000 0.862 1297 R CB 1.881 32.187 30.300 0.010 0.000 1.144 1297 R HN 0.598 nan 8.270 nan 0.000 0.447 1298 V N -0.127 119.773 119.914 -0.024 0.000 2.439 1298 V HA -0.292 3.828 4.120 0.000 0.000 0.253 1298 V C 1.891 177.959 176.094 -0.044 0.000 1.074 1298 V CA 2.273 64.541 62.300 -0.053 0.000 1.076 1298 V CB -0.757 31.038 31.823 -0.046 0.000 0.664 1298 V HN 0.855 nan 8.190 nan 0.000 0.461 1299 S N -0.250 115.439 115.700 -0.019 0.000 2.402 1299 S HA -0.196 4.274 4.470 0.000 0.000 0.229 1299 S C 1.628 176.230 174.600 0.005 0.000 1.021 1299 S CA 1.356 59.551 58.200 -0.010 0.000 0.974 1299 S CB -0.550 62.647 63.200 -0.005 0.000 0.800 1299 S HN 0.623 nan 8.310 nan 0.000 0.484 1300 D N 1.817 122.230 120.400 0.022 0.000 2.137 1300 D HA 0.155 4.795 4.640 0.000 0.000 0.202 1300 D C 1.939 178.291 176.300 0.088 0.000 0.970 1300 D CA 0.687 54.718 54.000 0.050 0.000 0.837 1300 D CB -0.371 40.467 40.800 0.064 0.000 0.981 1300 D HN 0.404 nan 8.370 nan 0.000 0.475 1301 I N 1.430 122.048 120.570 0.080 0.000 2.087 1301 I HA -0.374 3.796 4.170 0.000 0.000 0.240 1301 I C 2.527 178.663 176.117 0.031 0.000 1.054 1301 I CA 1.731 63.062 61.300 0.052 0.000 1.311 1301 I CB -0.423 37.394 38.000 -0.305 0.000 1.024 1301 I HN 0.070 nan 8.210 nan 0.000 0.402 1302 R N 1.861 122.347 120.500 -0.024 0.000 2.092 1302 R HA -0.037 4.304 4.340 0.000 0.000 0.231 1302 R C 2.352 178.662 176.300 0.015 0.000 1.119 1302 R CA 1.262 57.354 56.100 -0.013 0.000 0.970 1302 R CB -0.898 29.386 30.300 -0.026 0.000 0.864 1302 R HN 0.272 nan 8.270 nan 0.000 0.440 1303 A N 2.073 124.906 122.820 0.022 0.000 1.869 1303 A HA -0.249 4.072 4.320 0.000 0.000 0.218 1303 A C 2.057 179.658 177.584 0.027 0.000 1.203 1303 A CA 2.138 54.187 52.037 0.020 0.000 0.638 1303 A CB -0.518 18.495 19.000 0.022 0.000 0.831 1303 A HN 0.467 nan 8.150 nan 0.000 0.450 1304 K N -1.003 119.432 120.400 0.058 0.000 2.025 1304 K HA -0.106 4.214 4.320 0.000 0.000 0.207 1304 K C 2.059 178.687 176.600 0.046 0.000 1.049 1304 K CA 1.379 57.696 56.287 0.051 0.000 0.933 1304 K CB -0.524 32.025 32.500 0.082 0.000 0.714 1304 K HN 0.560 nan 8.250 nan 0.000 0.438 1305 C N 0.947 120.304 119.300 0.094 0.000 2.419 1305 C HA -0.026 4.435 4.460 0.000 0.000 0.281 1305 C C 2.588 177.589 174.990 0.020 0.000 1.336 1305 C CA 0.472 59.534 59.018 0.073 0.000 1.770 1305 C CB -0.898 26.898 27.740 0.094 0.000 1.929 1305 C HN 0.395 nan 8.230 nan 0.000 0.509 1306 R N 0.436 120.942 120.500 0.010 0.000 2.057 1306 R HA -0.034 4.307 4.340 0.000 0.000 0.229 1306 R C 2.565 178.856 176.300 -0.014 0.000 1.136 1306 R CA 1.087 57.185 56.100 -0.004 0.000 0.952 1306 R CB -0.232 30.064 30.300 -0.005 0.000 0.848 1306 R HN 0.546 nan 8.270 nan 0.000 0.430 1307 R N 0.497 120.987 120.500 -0.017 0.000 2.080 1307 R HA -0.170 4.171 4.340 0.000 0.000 0.236 1307 R C 2.343 178.613 176.300 -0.050 0.000 1.137 1307 R CA 1.370 57.452 56.100 -0.030 0.000 0.943 1307 R CB -0.690 29.591 30.300 -0.030 0.000 0.846 1307 R HN 0.105 nan 8.270 nan 0.000 0.431 1308 L N 1.970 123.154 121.223 -0.066 0.000 1.978 1308 L HA -0.264 4.076 4.340 0.000 0.000 0.218 1308 L C 2.252 179.067 176.870 -0.091 0.000 1.075 1308 L CA 1.976 56.744 54.840 -0.121 0.000 0.767 1308 L CB -0.556 41.411 42.059 -0.152 0.000 0.890 1308 L HN 0.064 nan 8.230 nan 0.000 0.434 1309 K N -1.135 119.235 120.400 -0.050 0.000 2.442 1309 K HA -0.270 4.050 4.320 0.000 0.000 0.200 1309 K C 1.998 178.583 176.600 -0.023 0.000 1.045 1309 K CA 1.793 58.065 56.287 -0.026 0.000 0.937 1309 K CB -0.005 32.491 32.500 -0.007 0.000 0.757 1309 K HN 0.542 nan 8.250 nan 0.000 0.474 1310 Q N -0.191 119.590 119.800 -0.031 0.000 2.392 1310 Q HA -0.007 4.333 4.340 0.000 0.000 0.219 1310 Q C 1.367 177.349 176.000 -0.029 0.000 0.895 1310 Q CA 0.558 56.347 55.803 -0.024 0.000 0.929 1310 Q CB 0.521 29.246 28.738 -0.022 0.000 1.077 1310 Q HN 0.307 nan 8.270 nan 0.000 0.532 1311 E N -1.390 118.782 120.200 -0.046 0.000 2.162 1311 E HA 0.111 4.461 4.350 0.000 0.000 0.193 1311 E C 1.003 177.575 176.600 -0.047 0.000 0.953 1311 E CA 1.216 57.587 56.400 -0.049 0.000 0.849 1311 E CB 0.394 30.053 29.700 -0.068 0.000 0.810 1311 E HN 0.224 nan 8.360 nan 0.000 0.470 1312 S N -0.958 114.702 115.700 -0.066 0.000 2.593 1312 S HA 0.388 4.858 4.470 0.000 0.000 0.235 1312 S C 0.306 174.903 174.600 -0.005 0.000 1.059 1312 S CA 0.006 58.183 58.200 -0.038 0.000 0.953 1312 S CB 1.311 64.461 63.200 -0.084 0.000 0.897 1312 S HN 0.471 nan 8.310 nan 0.000 0.507 1313 G N 2.261 111.049 108.800 -0.019 0.000 3.000 1313 G HA2 -0.044 3.916 3.960 0.000 0.000 0.686 1313 G HA3 -0.044 3.916 3.960 0.000 0.000 0.686 1313 G C -0.795 174.124 174.900 0.033 0.000 1.114 1313 G CA -0.100 45.004 45.100 0.006 0.000 0.902 1313 G HN 1.012 nan 8.290 nan 0.000 0.564 1314 L N 0.118 121.364 121.223 0.039 0.000 2.582 1314 L HA 0.932 5.272 4.340 0.000 0.000 0.257 1314 L C 0.421 177.325 176.870 0.056 0.000 0.974 1314 L CA -0.587 54.296 54.840 0.073 0.000 0.851 1314 L CB 1.713 43.841 42.059 0.115 0.000 1.424 1314 L HN 1.324 nan 8.230 nan 0.000 0.412 1315 G N 1.938 110.771 108.800 0.055 0.000 4.222 1315 G HA2 0.575 4.535 3.960 0.000 0.000 0.301 1315 G HA3 0.575 4.535 3.960 0.000 0.000 0.301 1315 G C -0.435 174.487 174.900 0.037 0.000 1.171 1315 G CA -0.081 45.044 45.100 0.042 0.000 0.937 1315 G HN 0.510 nan 8.290 nan 0.000 0.557 1316 M N -0.330 119.298 119.600 0.046 0.000 3.015 1316 M HA 0.396 4.876 4.480 0.000 0.000 0.272 1316 M C -2.368 173.967 176.300 0.058 0.000 1.085 1316 M CA -0.631 54.689 55.300 0.033 0.000 0.795 1316 M CB 2.272 34.865 32.600 -0.012 0.000 1.632 1316 M HN 0.004 nan 8.290 nan 0.000 0.535 1317 V N 2.518 122.460 119.914 0.045 0.000 2.775 1317 V HA 0.581 4.701 4.120 0.000 0.000 0.295 1317 V C -2.028 174.096 176.094 0.050 0.000 1.226 1317 V CA -0.418 61.929 62.300 0.080 0.000 0.934 1317 V CB 2.116 33.976 31.823 0.062 0.000 1.056 1317 V HN 0.611 nan 8.190 nan 0.000 0.436 1318 V N 8.054 128.018 119.914 0.083 0.000 2.417 1318 V HA 0.589 4.709 4.120 0.000 0.000 0.291 1318 V C 0.041 176.199 176.094 0.106 0.000 1.024 1318 V CA -0.436 61.897 62.300 0.055 0.000 0.861 1318 V CB 1.673 33.504 31.823 0.014 0.000 0.985 1318 V HN 0.736 nan 8.190 nan 0.000 0.436 1319 I N 3.516 124.124 120.570 0.064 0.000 2.412 1319 I HA 0.390 4.560 4.170 0.000 0.000 0.296 1319 I C -0.409 175.759 176.117 0.086 0.000 0.987 1319 I CA -0.367 60.975 61.300 0.070 0.000 1.180 1319 I CB 1.876 39.871 38.000 -0.009 0.000 1.340 1319 I HN 0.536 nan 8.210 nan 0.000 0.455 1320 D N 7.498 127.952 120.400 0.089 0.000 2.443 1320 D HA 0.126 4.766 4.640 0.000 0.000 0.221 1320 D C -0.764 175.589 176.300 0.090 0.000 1.097 1320 D CA -0.265 53.794 54.000 0.098 0.000 0.865 1320 D CB 0.383 41.224 40.800 0.069 0.000 1.034 1320 D HN 0.392 nan 8.370 nan 0.000 0.511 1321 Y N 2.939 123.261 120.300 0.037 0.000 2.627 1321 Y HA -0.300 4.250 4.550 0.000 0.000 0.083 1321 Y C 0.689 176.603 175.900 0.024 0.000 1.774 1321 Y CA 0.285 58.402 58.100 0.027 0.000 1.320 1321 Y CB -1.561 36.915 38.460 0.026 0.000 1.963 1321 Y HN 0.433 nan 8.280 nan 0.000 0.275 1322 L N 2.168 123.512 121.223 0.202 0.000 2.291 1322 L HA -0.134 4.206 4.340 0.000 0.000 0.214 1322 L C 2.023 178.974 176.870 0.135 0.000 1.120 1322 L CA 1.136 56.041 54.840 0.108 0.000 0.799 1322 L CB -0.441 41.654 42.059 0.061 0.000 0.925 1322 L HN 0.793 nan 8.230 nan 0.000 0.446 1323 Q N 1.478 121.419 119.800 0.236 0.000 2.325 1323 Q HA -0.191 4.149 4.340 0.000 0.000 0.211 1323 Q C 2.055 178.150 176.000 0.159 0.000 0.988 1323 Q CA 1.563 57.477 55.803 0.185 0.000 0.887 1323 Q CB -0.748 28.103 28.738 0.189 0.000 0.915 1323 Q HN 0.640 nan 8.270 nan 0.000 0.440 1324 L N 0.599 121.911 121.223 0.148 0.000 2.591 1324 L HA 0.132 4.472 4.340 0.000 0.000 0.228 1324 L C 1.290 178.163 176.870 0.005 0.000 1.133 1324 L CA -0.119 54.743 54.840 0.036 0.000 0.880 1324 L CB 0.005 41.987 42.059 -0.128 0.000 1.033 1324 L HN 0.100 nan 8.230 nan 0.000 0.450 1325 I N 0.272 120.853 120.570 0.018 0.000 3.648 1325 I HA -0.047 4.123 4.170 0.000 0.000 0.305 1325 I C 0.583 176.707 176.117 0.012 0.000 1.345 1325 I CA -0.178 61.126 61.300 0.007 0.000 1.325 1325 I CB -0.567 37.433 38.000 -0.000 0.000 1.188 1325 I HN 0.151 nan 8.210 nan 0.000 0.460 1326 Q N 2.136 121.946 119.800 0.017 0.000 2.436 1326 Q HA -0.018 4.322 4.340 0.000 0.000 0.292 1326 Q C 1.011 177.018 176.000 0.011 0.000 1.229 1326 Q CA 0.470 56.283 55.803 0.017 0.000 1.008 1326 Q CB 0.208 28.957 28.738 0.018 0.000 1.220 1326 Q HN 0.555 nan 8.270 nan 0.000 0.432 1327 G N 1.036 109.842 108.800 0.009 0.000 2.989 1327 G HA2 -0.041 3.920 3.960 0.000 0.000 0.221 1327 G HA3 -0.041 3.920 3.960 0.000 0.000 0.221 1327 G C 0.992 175.895 174.900 0.005 0.000 1.050 1327 G CA 0.418 45.522 45.100 0.006 0.000 0.913 1327 G HN 0.564 nan 8.290 nan 0.000 0.587 1328 S N -0.007 115.697 115.700 0.007 0.000 2.380 1328 S HA 0.276 4.746 4.470 0.000 0.000 0.217 1328 S C 1.999 176.602 174.600 0.006 0.000 1.036 1328 S CA 2.820 61.024 58.200 0.006 0.000 1.050 1328 S CB -0.306 62.899 63.200 0.008 0.000 1.016 1328 S HN 1.370 nan 8.310 nan 0.000 0.419 1329 G N 0.260 109.064 108.800 0.007 0.000 4.025 1329 G HA2 -0.083 3.877 3.960 0.000 0.000 0.195 1329 G HA3 -0.083 3.877 3.960 0.000 0.000 0.195 1329 G C 1.037 175.941 174.900 0.008 0.000 1.546 1329 G CA 0.327 45.431 45.100 0.007 0.000 1.007 1329 G HN 0.287 nan 8.290 nan 0.000 0.388 1330 R N 0.889 121.394 120.500 0.008 0.000 2.062 1330 R HA 0.117 4.457 4.340 0.000 0.000 0.229 1330 R C 0.709 177.014 176.300 0.009 0.000 1.128 1330 R CA 1.063 57.168 56.100 0.008 0.000 0.960 1330 R CB -1.143 29.162 30.300 0.008 0.000 0.855 1330 R HN 0.693 nan 8.270 nan 0.000 0.432 1331 N N 0.244 118.950 118.700 0.010 0.000 2.729 1331 N HA -0.178 4.562 4.740 0.000 0.000 0.259 1331 N C 0.004 175.521 175.510 0.011 0.000 1.119 1331 N CA 0.625 53.682 53.050 0.012 0.000 0.679 1331 N CB -0.292 38.202 38.487 0.012 0.000 0.892 1331 N HN 0.366 nan 8.380 nan 0.000 0.558 1332 R N -0.694 119.813 120.500 0.011 0.000 2.531 1332 R HA 0.179 4.519 4.340 0.000 0.000 0.316 1332 R C -0.262 176.045 176.300 0.011 0.000 0.955 1332 R CA -0.285 55.821 56.100 0.011 0.000 1.120 1332 R CB 0.310 30.616 30.300 0.010 0.000 1.361 1332 R HN 0.207 nan 8.270 nan 0.000 0.534 1333 E N 1.322 121.529 120.200 0.013 0.000 2.227 1333 E HA 0.268 4.618 4.350 0.000 0.000 0.268 1333 E C -0.498 176.111 176.600 0.015 0.000 0.990 1333 E CA -1.004 55.404 56.400 0.013 0.000 0.856 1333 E CB 0.785 30.493 29.700 0.013 0.000 1.159 1333 E HN 0.020 nan 8.360 nan 0.000 0.401 1334 N N 1.421 120.129 118.700 0.015 0.000 2.247 1334 N HA -0.087 4.654 4.740 0.000 0.000 0.252 1334 N C 0.996 176.517 175.510 0.018 0.000 1.259 1334 N CA -0.094 52.965 53.050 0.016 0.000 0.877 1334 N CB 0.192 38.688 38.487 0.014 0.000 0.959 1334 N HN 0.425 nan 8.380 nan 0.000 0.432 1335 R N 0.467 120.978 120.500 0.019 0.000 2.317 1335 R HA 0.024 4.364 4.340 0.000 0.000 0.208 1335 R C 1.244 177.557 176.300 0.022 0.000 0.914 1335 R CA 0.573 56.686 56.100 0.022 0.000 1.060 1335 R CB -0.276 30.037 30.300 0.021 0.000 1.015 1335 R HN 0.666 nan 8.270 nan 0.000 0.498 1336 Q N -0.062 119.750 119.800 0.019 0.000 2.481 1336 Q HA 0.033 4.373 4.340 0.000 0.000 0.219 1336 Q C 1.746 177.756 176.000 0.018 0.000 0.920 1336 Q CA 0.773 56.587 55.803 0.019 0.000 0.915 1336 Q CB -0.273 28.475 28.738 0.017 0.000 1.057 1336 Q HN 0.361 nan 8.270 nan 0.000 0.581 1337 Q N 0.389 120.198 119.800 0.016 0.000 1.994 1337 Q HA -0.065 4.275 4.340 0.000 0.000 0.198 1337 Q C 2.026 178.035 176.000 0.015 0.000 0.976 1337 Q CA 1.838 57.650 55.803 0.015 0.000 0.828 1337 Q CB 0.104 28.850 28.738 0.013 0.000 0.894 1337 Q HN 0.683 nan 8.270 nan 0.000 0.432 1338 E N -0.691 119.519 120.200 0.016 0.000 2.204 1338 E HA -0.116 4.234 4.350 0.000 0.000 0.194 1338 E C 1.882 178.493 176.600 0.018 0.000 0.989 1338 E CA 1.010 57.419 56.400 0.016 0.000 0.824 1338 E CB 0.215 29.926 29.700 0.018 0.000 0.756 1338 E HN 0.234 nan 8.360 nan 0.000 0.477 1339 V N 1.187 121.114 119.914 0.021 0.000 2.453 1339 V HA -0.237 3.883 4.120 0.000 0.000 0.247 1339 V C 2.557 178.662 176.094 0.019 0.000 1.048 1339 V CA 1.865 64.180 62.300 0.024 0.000 1.049 1339 V CB -0.356 31.484 31.823 0.028 0.000 0.672 1339 V HN 0.329 nan 8.190 nan 0.000 0.457 1340 S N 0.646 116.356 115.700 0.017 0.000 2.335 1340 S HA -0.246 4.224 4.470 0.000 0.000 0.217 1340 S C 1.950 176.556 174.600 0.010 0.000 1.032 1340 S CA 1.492 59.700 58.200 0.014 0.000 0.985 1340 S CB -0.613 62.596 63.200 0.014 0.000 0.896 1340 S HN 0.535 nan 8.310 nan 0.000 0.445 1341 E N 1.503 121.709 120.200 0.009 0.000 2.208 1341 E HA -0.163 4.187 4.350 0.000 0.000 0.202 1341 E C 1.644 178.245 176.600 0.002 0.000 1.014 1341 E CA 1.704 58.107 56.400 0.006 0.000 0.819 1341 E CB -0.595 29.109 29.700 0.007 0.000 0.735 1341 E HN 0.763 nan 8.360 nan 0.000 0.469 1342 I N -0.915 119.656 120.570 0.003 0.000 2.206 1342 I HA -0.193 3.977 4.170 0.000 0.000 0.239 1342 I C 2.469 178.582 176.117 -0.006 0.000 1.078 1342 I CA 0.920 62.218 61.300 -0.003 0.000 1.367 1342 I CB -0.595 37.406 38.000 0.002 0.000 1.078 1342 I HN 0.136 nan 8.210 nan 0.000 0.413 1343 S N 0.940 116.641 115.700 0.002 0.000 2.369 1343 S HA -0.317 4.153 4.470 0.000 0.000 0.225 1343 S C 2.294 176.894 174.600 0.000 0.000 1.043 1343 S CA 2.078 60.280 58.200 0.003 0.000 1.074 1343 S CB -0.378 62.828 63.200 0.010 0.000 0.962 1343 S HN 0.282 nan 8.310 nan 0.000 0.433 1344 R N 0.124 120.626 120.500 0.003 0.000 2.083 1344 R HA -0.078 4.263 4.340 0.000 0.000 0.237 1344 R C 2.615 178.913 176.300 -0.003 0.000 1.137 1344 R CA 1.853 57.955 56.100 0.003 0.000 0.951 1344 R CB -0.876 29.427 30.300 0.006 0.000 0.851 1344 R HN 0.468 nan 8.270 nan 0.000 0.434 1345 S N 0.244 115.940 115.700 -0.007 0.000 2.399 1345 S HA -0.076 4.394 4.470 0.000 0.000 0.231 1345 S C 1.898 176.483 174.600 -0.024 0.000 1.022 1345 S CA 0.935 59.126 58.200 -0.015 0.000 0.983 1345 S CB -0.120 63.069 63.200 -0.017 0.000 0.803 1345 S HN 0.303 nan 8.310 nan 0.000 0.480 1346 L N 0.979 122.187 121.223 -0.025 0.000 1.948 1346 L HA -0.120 4.220 4.340 0.000 0.000 0.212 1346 L C 2.582 179.439 176.870 -0.022 0.000 1.074 1346 L CA 1.830 56.648 54.840 -0.035 0.000 0.753 1346 L CB -0.790 41.251 42.059 -0.030 0.000 0.888 1346 L HN 0.270 nan 8.230 nan 0.000 0.432 1347 K N 0.837 121.232 120.400 -0.008 0.000 2.030 1347 K HA -0.298 4.022 4.320 0.000 0.000 0.222 1347 K C 1.900 178.499 176.600 -0.002 0.000 1.056 1347 K CA 2.388 58.675 56.287 0.001 0.000 0.957 1347 K CB -0.990 31.514 32.500 0.007 0.000 0.727 1347 K HN 0.297 nan 8.250 nan 0.000 0.452 1348 A N 0.769 123.586 122.820 -0.004 0.000 1.894 1348 A HA -0.250 4.070 4.320 0.000 0.000 0.220 1348 A C 2.257 179.834 177.584 -0.011 0.000 1.237 1348 A CA 2.442 54.476 52.037 -0.006 0.000 0.660 1348 A CB -1.223 17.772 19.000 -0.008 0.000 0.835 1348 A HN 0.528 nan 8.150 nan 0.000 0.461 1349 L N -0.334 120.877 121.223 -0.021 0.000 1.990 1349 L HA -0.160 4.180 4.340 0.000 0.000 0.213 1349 L C 2.705 179.563 176.870 -0.019 0.000 1.072 1349 L CA 2.733 57.556 54.840 -0.028 0.000 0.755 1349 L CB -1.210 40.817 42.059 -0.052 0.000 0.889 1349 L HN 0.434 nan 8.230 nan 0.000 0.432 1350 A N -0.369 122.443 122.820 -0.014 0.000 1.884 1350 A HA -0.327 3.993 4.320 0.000 0.000 0.219 1350 A C 2.580 180.168 177.584 0.007 0.000 1.197 1350 A CA 2.306 54.344 52.037 0.000 0.000 0.637 1350 A CB -0.831 18.175 19.000 0.011 0.000 0.827 1350 A HN 0.567 nan 8.150 nan 0.000 0.450 1351 R N -0.596 119.907 120.500 0.006 0.000 2.091 1351 R HA -0.189 4.151 4.340 0.000 0.000 0.238 1351 R C 2.250 178.549 176.300 -0.002 0.000 1.136 1351 R CA 1.820 57.925 56.100 0.007 0.000 0.959 1351 R CB -0.281 30.023 30.300 0.006 0.000 0.856 1351 R HN 0.757 nan 8.270 nan 0.000 0.437 1352 E N -0.236 119.960 120.200 -0.007 0.000 2.110 1352 E HA -0.167 4.183 4.350 0.000 0.000 0.193 1352 E C 1.563 178.158 176.600 -0.009 0.000 0.988 1352 E CA 0.857 57.249 56.400 -0.012 0.000 0.804 1352 E CB 0.176 29.867 29.700 -0.015 0.000 0.745 1352 E HN 0.267 nan 8.360 nan 0.000 0.458 1353 L N 0.429 121.650 121.223 -0.003 0.000 2.446 1353 L HA 0.064 4.404 4.340 0.000 0.000 0.219 1353 L C 0.154 177.031 176.870 0.011 0.000 1.116 1353 L CA 0.853 55.694 54.840 0.003 0.000 0.844 1353 L CB -0.504 41.558 42.059 0.005 0.000 0.970 1353 L HN 0.214 nan 8.230 nan 0.000 0.457 1354 E N 0.449 120.658 120.200 0.014 0.000 2.271 1354 E HA -0.167 4.183 4.350 0.000 0.000 0.223 1354 E C -0.543 176.077 176.600 0.033 0.000 1.223 1354 E CA 0.269 56.683 56.400 0.025 0.000 0.704 1354 E CB -1.493 28.220 29.700 0.023 0.000 1.194 1354 E HN 0.363 nan 8.360 nan 0.000 0.375 1355 V N -4.467 115.468 119.914 0.036 0.000 3.226 1355 V HA 0.801 4.921 4.120 0.000 0.000 0.304 1355 V C -2.787 173.341 176.094 0.056 0.000 1.336 1355 V CA -2.117 60.211 62.300 0.046 0.000 1.066 1355 V CB 2.369 34.216 31.823 0.040 0.000 1.087 1355 V HN -0.020 nan 8.190 nan 0.000 0.451 1356 P HA 0.482 nan 4.420 nan 0.000 0.301 1356 P C -1.011 176.342 177.300 0.088 0.000 1.338 1356 P CA -0.421 62.744 63.100 0.108 0.000 0.834 1356 P CB 1.825 33.639 31.700 0.191 0.000 0.967 1357 V N 6.129 126.088 119.914 0.075 0.000 2.350 1357 V HA 0.333 4.453 4.120 0.000 0.000 0.276 1357 V C 0.681 176.820 176.094 0.076 0.000 1.028 1357 V CA -0.585 61.742 62.300 0.045 0.000 0.860 1357 V CB 1.258 33.085 31.823 0.006 0.000 0.990 1357 V HN 0.536 nan 8.190 nan 0.000 0.453 1358 I N 4.922 125.536 120.570 0.073 0.000 2.355 1358 I HA 0.804 4.974 4.170 0.000 0.000 0.288 1358 I C 0.236 176.392 176.117 0.065 0.000 0.999 1358 I CA -0.228 61.133 61.300 0.102 0.000 1.163 1358 I CB 1.102 39.168 38.000 0.110 0.000 1.316 1358 I HN 0.695 nan 8.210 nan 0.000 0.454 1359 A N 7.813 130.673 122.820 0.066 0.000 2.288 1359 A HA 0.891 5.211 4.320 0.000 0.000 0.328 1359 A C -1.184 176.445 177.584 0.076 0.000 1.123 1359 A CA -0.724 51.347 52.037 0.057 0.000 0.861 1359 A CB 1.280 20.301 19.000 0.035 0.000 1.272 1359 A HN 0.725 nan 8.150 nan 0.000 0.490 1360 L N 0.909 122.187 121.223 0.091 0.000 2.386 1360 L HA 0.713 5.053 4.340 0.000 0.000 0.271 1360 L C 0.124 177.047 176.870 0.088 0.000 0.993 1360 L CA -0.520 54.376 54.840 0.094 0.000 0.819 1360 L CB 2.030 44.170 42.059 0.136 0.000 1.294 1360 L HN 0.859 nan 8.230 nan 0.000 0.414 1361 S N 1.618 117.326 115.700 0.014 0.000 2.697 1361 S HA 0.680 5.150 4.470 0.000 0.000 0.289 1361 S C -1.137 173.417 174.600 -0.076 0.000 1.149 1361 S CA -0.783 57.407 58.200 -0.018 0.000 0.850 1361 S CB 2.613 65.803 63.200 -0.017 0.000 1.151 1361 S HN 0.687 nan 8.310 nan 0.000 0.491 1362 Q N 0.130 119.867 119.800 -0.104 0.000 2.372 1362 Q HA 0.710 5.051 4.340 0.000 0.000 0.273 1362 Q C -1.674 174.300 176.000 -0.042 0.000 1.078 1362 Q CA -0.744 54.996 55.803 -0.105 0.000 0.806 1362 Q CB 1.847 30.454 28.738 -0.218 0.000 1.332 1362 Q HN 0.757 nan 8.270 nan 0.000 0.435 1363 L N 0.454 121.674 121.223 -0.005 0.000 2.323 1363 L HA 0.671 5.011 4.340 0.000 0.000 0.265 1363 L C 0.126 176.996 176.870 0.000 0.000 1.012 1363 L CA -0.304 54.550 54.840 0.024 0.000 0.820 1363 L CB 2.015 44.126 42.059 0.086 0.000 1.334 1363 L HN 0.751 nan 8.230 nan 0.000 0.427 1364 S N -0.346 115.353 115.700 -0.001 0.000 5.096 1364 S HA 0.106 4.576 4.470 0.000 0.000 0.162 1364 S C 1.351 175.946 174.600 -0.007 0.000 1.106 1364 S CA -0.141 58.053 58.200 -0.009 0.000 1.330 1364 S CB -0.036 63.152 63.200 -0.020 0.000 1.881 1364 S HN 0.683 nan 8.310 nan 0.000 0.584 1365 R N 1.950 122.446 120.500 -0.007 0.000 2.103 1365 R HA 0.044 4.384 4.340 0.000 0.000 0.242 1365 R C 2.533 178.828 176.300 -0.009 0.000 1.142 1365 R CA 2.015 58.111 56.100 -0.007 0.000 0.960 1365 R CB -1.025 29.272 30.300 -0.005 0.000 0.858 1365 R HN 0.446 nan 8.270 nan 0.000 0.439 1366 S N -0.021 115.674 115.700 -0.009 0.000 2.344 1366 S HA -0.128 4.342 4.470 0.000 0.000 0.217 1366 S C 2.085 176.673 174.600 -0.019 0.000 1.033 1366 S CA 1.634 59.825 58.200 -0.015 0.000 1.017 1366 S CB -0.542 62.648 63.200 -0.018 0.000 0.941 1366 S HN 0.215 nan 8.310 nan 0.000 0.430 1367 V N 0.518 120.422 119.914 -0.017 0.000 2.332 1367 V HA -0.091 4.030 4.120 0.000 0.000 0.248 1367 V C 2.383 178.467 176.094 -0.016 0.000 1.055 1367 V CA 2.093 64.382 62.300 -0.019 0.000 1.038 1367 V CB -1.149 30.669 31.823 -0.010 0.000 0.651 1367 V HN 0.358 nan 8.190 nan 0.000 0.450 1368 E N 0.265 120.458 120.200 -0.012 0.000 2.106 1368 E HA -0.220 4.131 4.350 0.000 0.000 0.192 1368 E C 2.252 178.844 176.600 -0.012 0.000 0.984 1368 E CA 1.717 58.111 56.400 -0.011 0.000 0.806 1368 E CB -0.351 29.344 29.700 -0.009 0.000 0.750 1368 E HN 0.839 nan 8.360 nan 0.000 0.458 1369 Q N 0.397 120.189 119.800 -0.013 0.000 2.030 1369 Q HA -0.212 4.129 4.340 0.000 0.000 0.204 1369 Q C 2.112 178.103 176.000 -0.015 0.000 0.986 1369 Q CA 1.589 57.384 55.803 -0.013 0.000 0.843 1369 Q CB 0.127 28.857 28.738 -0.014 0.000 0.904 1369 Q HN -0.042 nan 8.270 nan 0.000 0.420 1370 R N -0.008 120.480 120.500 -0.019 0.000 2.057 1370 R HA -0.071 4.269 4.340 0.000 0.000 0.229 1370 R C 2.151 178.439 176.300 -0.019 0.000 1.136 1370 R CA 1.484 57.572 56.100 -0.021 0.000 0.952 1370 R CB -0.580 29.704 30.300 -0.028 0.000 0.848 1370 R HN 0.221 nan 8.270 nan 0.000 0.430 1371 Q N 0.595 120.384 119.800 -0.019 0.000 2.181 1371 Q HA -0.131 4.209 4.340 0.000 0.000 0.205 1371 Q C 1.233 177.225 176.000 -0.013 0.000 0.980 1371 Q CA 1.777 57.570 55.803 -0.016 0.000 0.862 1371 Q CB -0.063 28.666 28.738 -0.016 0.000 0.905 1371 Q HN 0.384 nan 8.270 nan 0.000 0.429 1372 D N -0.656 119.737 120.400 -0.012 0.000 2.120 1372 D HA -0.116 4.524 4.640 0.000 0.000 0.202 1372 D C 1.609 177.903 176.300 -0.010 0.000 0.972 1372 D CA 0.857 54.851 54.000 -0.010 0.000 0.837 1372 D CB -0.019 40.776 40.800 -0.009 0.000 0.989 1372 D HN 0.021 nan 8.370 nan 0.000 0.469 1373 K N 0.855 121.249 120.400 -0.011 0.000 2.209 1373 K HA -0.096 4.224 4.320 0.000 0.000 0.204 1373 K C 0.975 177.569 176.600 -0.011 0.000 1.048 1373 K CA 0.785 57.066 56.287 -0.010 0.000 0.940 1373 K CB 0.148 32.641 32.500 -0.011 0.000 0.729 1373 K HN 0.123 nan 8.250 nan 0.000 0.451 1380 L N 0.585 121.635 121.223 -0.289 0.000 2.616 1380 L HA 0.391 4.731 4.340 0.000 0.000 0.229 1380 L C 2.531 179.426 176.870 0.040 0.000 1.110 1380 L CA 0.098 54.881 54.840 -0.095 0.000 0.884 1380 L CB 0.014 42.039 42.059 -0.057 0.000 1.115 1380 L HN 0.269 nan 8.230 nan 0.000 0.481 1381 R N -0.261 120.234 120.500 -0.008 0.000 2.090 1381 R HA -0.066 4.274 4.340 0.000 0.000 0.219 1381 R C 1.115 177.436 176.300 0.035 0.000 1.100 1381 R CA 0.821 56.928 56.100 0.013 0.000 0.991 1381 R CB 0.046 30.339 30.300 -0.011 0.000 0.893 1381 R HN 0.172 nan 8.270 nan 0.000 0.443 1382 E N 0.833 121.053 120.200 0.032 0.000 2.495 1382 E HA -0.019 4.331 4.350 0.000 0.000 0.204 1382 E C -0.607 176.041 176.600 0.080 0.000 1.163 1382 E CA 0.401 56.829 56.400 0.047 0.000 0.922 1382 E CB 0.112 29.832 29.700 0.034 0.000 0.918 1382 E HN 0.051 nan 8.360 nan 0.000 0.537 1383 S N -1.006 114.755 115.700 0.100 0.000 2.395 1383 S HA 0.402 4.872 4.470 0.000 0.000 0.207 1383 S C 1.161 175.800 174.600 0.064 0.000 1.454 1383 S CA -0.177 58.080 58.200 0.094 0.000 1.211 1383 S CB 0.489 63.773 63.200 0.141 0.000 1.093 1383 S HN 0.279 nan 8.310 nan 0.000 0.472 1384 G N 2.093 110.920 108.800 0.045 0.000 2.450 1384 G HA2 -0.166 3.794 3.960 0.000 0.000 0.220 1384 G HA3 -0.166 3.794 3.960 0.000 0.000 0.220 1384 G C 1.583 176.502 174.900 0.032 0.000 1.130 1384 G CA 1.162 46.283 45.100 0.035 0.000 0.760 1384 G HN 0.625 nan 8.290 nan 0.000 0.557 1385 S N 0.317 116.036 115.700 0.031 0.000 2.359 1385 S HA -0.154 4.316 4.470 0.000 0.000 0.224 1385 S C 2.367 176.983 174.600 0.026 0.000 1.035 1385 S CA 1.371 59.587 58.200 0.026 0.000 1.018 1385 S CB -0.283 62.932 63.200 0.024 0.000 0.876 1385 S HN 0.603 nan 8.310 nan 0.000 0.448 1386 I N 1.334 121.924 120.570 0.033 0.000 2.315 1386 I HA -0.184 3.986 4.170 0.000 0.000 0.248 1386 I C 2.008 178.147 176.117 0.035 0.000 1.117 1386 I CA 2.033 63.354 61.300 0.035 0.000 1.404 1386 I CB -0.601 37.430 38.000 0.053 0.000 1.071 1386 I HN 0.278 nan 8.210 nan 0.000 0.419 1387 E N 0.706 120.929 120.200 0.038 0.000 2.150 1387 E HA -0.261 4.089 4.350 0.000 0.000 0.193 1387 E C 2.035 178.649 176.600 0.023 0.000 0.985 1387 E CA 1.050 57.468 56.400 0.030 0.000 0.814 1387 E CB -0.480 29.237 29.700 0.029 0.000 0.752 1387 E HN 0.528 nan 8.360 nan 0.000 0.466 1388 Q N 1.026 120.839 119.800 0.022 0.000 1.975 1388 Q HA -0.112 4.228 4.340 0.000 0.000 0.205 1388 Q C 0.065 176.075 176.000 0.017 0.000 0.990 1388 Q CA 2.203 58.017 55.803 0.018 0.000 0.845 1388 Q CB 0.071 28.820 28.738 0.018 0.000 0.913 1388 Q HN 0.671 nan 8.270 nan 0.000 0.420 1389 D N -3.157 117.253 120.400 0.017 0.000 3.868 1389 D HA 0.378 5.019 4.640 0.000 0.000 0.283 1389 D C -1.244 175.065 176.300 0.015 0.000 1.439 1389 D CA 0.077 54.087 54.000 0.015 0.000 0.760 1389 D CB -0.426 40.383 40.800 0.014 0.000 1.335 1389 D HN 0.224 nan 8.370 nan 0.000 0.737 1390 A N 0.287 123.116 122.820 0.016 0.000 2.305 1390 A HA 0.602 4.923 4.320 0.000 0.000 0.322 1390 A C -0.574 177.017 177.584 0.012 0.000 1.187 1390 A CA -0.788 51.258 52.037 0.014 0.000 0.825 1390 A CB 0.722 19.730 19.000 0.013 0.000 1.164 1390 A HN 0.198 nan 8.150 nan 0.000 0.498 1391 D N 1.278 121.683 120.400 0.009 0.000 2.736 1391 D HA 0.547 5.187 4.640 0.000 0.000 0.293 1391 D C -0.967 175.328 176.300 -0.008 0.000 1.241 1391 D CA 0.383 54.385 54.000 0.003 0.000 0.965 1391 D CB 0.005 40.807 40.800 0.004 0.000 0.992 1391 D HN 0.358 nan 8.370 nan 0.000 0.510 1392 I N 1.114 121.679 120.570 -0.008 0.000 2.722 1392 I HA -0.034 4.137 4.170 0.000 0.000 0.265 1392 I C -1.296 174.815 176.117 -0.011 0.000 1.510 1392 I CA -0.713 60.573 61.300 -0.023 0.000 1.334 1392 I CB 0.879 38.846 38.000 -0.054 0.000 1.691 1392 I HN 0.065 nan 8.210 nan 0.000 0.392 1393 V N 3.226 123.141 119.914 0.002 0.000 2.628 1393 V HA 1.050 5.170 4.120 0.000 0.000 0.306 1393 V C -0.408 175.678 176.094 -0.013 0.000 1.045 1393 V CA -0.082 62.211 62.300 -0.012 0.000 0.905 1393 V CB 1.851 33.691 31.823 0.027 0.000 0.997 1393 V HN 0.817 nan 8.190 nan 0.000 0.436 1394 A N 4.390 127.139 122.820 -0.119 0.000 2.427 1394 A HA 0.861 5.181 4.320 0.000 0.000 0.298 1394 A C -1.046 176.340 177.584 -0.330 0.000 1.036 1394 A CA -0.531 51.444 52.037 -0.104 0.000 0.701 1394 A CB 1.061 20.045 19.000 -0.027 0.000 1.250 1394 A HN 0.835 nan 8.150 nan 0.000 0.412 1416 I N -0.187 120.427 120.570 0.073 0.000 2.813 1416 I HA 0.638 4.808 4.170 0.000 0.000 0.287 1416 I C 1.020 177.191 176.117 0.089 0.000 1.196 1416 I CA 0.684 62.029 61.300 0.074 0.000 1.421 1416 I CB 1.562 39.578 38.000 0.026 0.000 1.365 1416 I HN 0.221 nan 8.210 nan 0.000 0.591 1417 A N 4.949 127.831 122.820 0.104 0.000 2.340 1417 A HA 0.333 4.653 4.320 0.000 0.000 0.213 1417 A C 0.589 178.208 177.584 0.058 0.000 1.299 1417 A CA -0.090 52.004 52.037 0.095 0.000 0.994 1417 A CB 0.331 19.431 19.000 0.166 0.000 1.132 1417 A HN 0.784 nan 8.150 nan 0.000 0.519 1418 K N 0.104 120.531 120.400 0.045 0.000 2.525 1418 K HA 0.548 4.868 4.320 0.000 0.000 0.254 1418 K C -1.913 174.688 176.600 0.003 0.000 0.934 1418 K CA -0.319 55.983 56.287 0.024 0.000 0.802 1418 K CB 1.698 34.216 32.500 0.030 0.000 1.295 1418 K HN 0.222 nan 8.250 nan 0.000 0.433 1419 Q N 2.946 122.743 119.800 -0.005 0.000 2.313 1419 Q HA 0.290 4.631 4.340 0.000 0.000 0.260 1419 Q C -1.150 174.841 176.000 -0.014 0.000 0.972 1419 Q CA -0.689 55.101 55.803 -0.021 0.000 0.886 1419 Q CB 1.789 30.509 28.738 -0.031 0.000 1.373 1419 Q HN 0.597 nan 8.270 nan 0.000 0.416 1426 T N -0.963 113.595 114.554 0.008 0.000 2.936 1426 T HA 0.973 5.323 4.350 0.000 0.000 0.282 1426 T C 0.333 175.037 174.700 0.007 0.000 1.003 1426 T CA 0.587 62.692 62.100 0.008 0.000 1.005 1426 T CB 1.277 70.147 68.868 0.003 0.000 1.097 1426 T HN 2.048 nan 8.240 nan 0.000 0.532 1427 V N 0.000 119.918 119.914 0.007 0.000 2.409 1427 V HA 0.000 4.120 4.120 0.000 0.000 0.244 1427 V CA 0.000 nan 62.300 nan 0.000 1.235 1427 V CB 0.000 nan 31.823 nan 0.000 1.184 1427 V HN 0.000 nan 8.190 nan 0.000 0.556