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 3fwp_1_A DATA FIRST_RESID 1003 DATA SEQUENCE KSDVFHLGLT KNDLQGAQLA IVPGDPERVE KIAALMDKPV KLASHREFTS DATA SEQUENCE WRAELDGKAV IVCSTGIGGP STSIAVEELA QLGIRTFLRI GTTGAIQPHI DATA SEQUENCE NVGDVLVTTA SVRLDGASLH FAPMEFPAVA DFACTTALVE AAKSIGATTH DATA SEQUENCE VGVTASSDTF YPGQERYDTY SGRVVRRFKG SMEEWQAMGV MNYEMESATL DATA SEQUENCE LTMCASQGLR AGMVAGVIVN RTQQEIXXXE TMKQTESHAV KIVVEAARRL DATA SEQUENCE L VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1003 K HA 0.000 nan 4.320 nan 0.000 0.191 1003 K C 0.000 176.578 176.600 -0.037 0.000 0.988 1003 K CA 0.000 56.269 56.287 -0.030 0.000 0.838 1003 K CB 0.000 32.489 32.500 -0.019 0.000 1.064 1004 S N 1.314 116.985 115.700 -0.049 0.000 2.562 1004 S HA 0.253 4.723 4.470 0.000 0.000 0.274 1004 S C -0.726 173.850 174.600 -0.040 0.000 1.160 1004 S CA -0.575 57.593 58.200 -0.054 0.000 0.933 1004 S CB 1.166 64.302 63.200 -0.107 0.000 1.100 1004 S HN 0.558 nan 8.310 nan 0.000 0.468 1005 D N 1.664 122.053 120.400 -0.019 0.000 2.347 1005 D HA 0.114 4.754 4.640 0.000 0.000 0.213 1005 D C 0.925 177.230 176.300 0.008 0.000 0.985 1005 D CA 1.100 55.099 54.000 -0.003 0.000 0.879 1005 D CB 0.329 41.132 40.800 0.006 0.000 0.919 1005 D HN 0.492 nan 8.370 nan 0.000 0.526 1006 V N -2.889 117.024 119.914 -0.000 0.000 3.001 1006 V HA 0.387 4.507 4.120 0.000 0.000 0.314 1006 V C 0.812 176.913 176.094 0.011 0.000 1.099 1006 V CA -1.069 61.250 62.300 0.033 0.000 0.989 1006 V CB 1.697 33.543 31.823 0.038 0.000 1.040 1006 V HN -0.131 nan 8.190 nan 0.000 0.434 1007 F N 0.857 120.752 119.950 -0.092 0.000 2.146 1007 F HA 0.020 4.547 4.527 0.000 0.000 0.298 1007 F C 1.951 177.536 175.800 -0.359 0.000 1.096 1007 F CA 2.492 60.351 58.000 -0.234 0.000 1.275 1007 F CB 0.118 38.944 39.000 -0.291 0.000 1.008 1007 F HN 0.832 nan 8.300 nan 0.000 0.480 1008 H N -1.399 117.703 119.070 0.055 0.000 2.545 1008 H HA 0.228 4.784 4.556 0.000 0.000 0.283 1008 H C 1.992 177.266 175.328 -0.090 0.000 0.997 1008 H CA 0.875 56.914 56.048 -0.016 0.000 1.269 1008 H CB -0.130 29.614 29.762 -0.031 0.000 1.451 1008 H HN 0.119 nan 8.280 nan 0.000 0.508 1009 L N -0.268 120.950 121.223 -0.009 0.000 2.313 1009 L HA 0.136 4.476 4.340 0.000 0.000 0.214 1009 L C 1.068 178.014 176.870 0.127 0.000 1.119 1009 L CA 0.738 55.604 54.840 0.042 0.000 0.809 1009 L CB -0.293 41.758 42.059 -0.013 0.000 0.933 1009 L HN 0.544 nan 8.230 nan 0.000 0.449 1010 G N 1.311 110.085 108.800 -0.043 0.000 2.272 1010 G HA2 -0.258 3.702 3.960 0.000 0.000 0.280 1010 G HA3 -0.258 3.702 3.960 0.000 0.000 0.280 1010 G C -0.242 174.689 174.900 0.052 0.000 1.067 1010 G CA 0.013 45.077 45.100 -0.059 0.000 0.902 1010 G HN 0.233 nan 8.290 nan 0.000 0.500 1011 L N -0.118 121.118 121.223 0.022 0.000 2.354 1011 L HA 0.850 5.190 4.340 0.000 0.000 0.264 1011 L C 0.713 177.588 176.870 0.008 0.000 1.008 1011 L CA -0.566 54.290 54.840 0.026 0.000 0.819 1011 L CB 2.459 44.541 42.059 0.038 0.000 1.339 1011 L HN 0.388 nan 8.230 nan 0.000 0.420 1012 T N -3.152 111.406 114.554 0.006 0.000 2.940 1012 T HA 0.385 4.735 4.350 0.000 0.000 0.288 1012 T C 0.631 175.334 174.700 0.004 0.000 1.045 1012 T CA -0.892 61.209 62.100 0.002 0.000 1.018 1012 T CB 1.970 70.835 68.868 -0.004 0.000 1.151 1012 T HN 0.531 nan 8.240 nan 0.000 0.529 1013 K N 0.393 120.795 120.400 0.004 0.000 2.147 1013 K HA -0.156 4.164 4.320 0.000 0.000 0.205 1013 K C 2.085 178.685 176.600 -0.000 0.000 1.049 1013 K CA 1.571 57.861 56.287 0.004 0.000 0.936 1013 K CB -0.351 32.151 32.500 0.004 0.000 0.722 1013 K HN 0.635 nan 8.250 nan 0.000 0.446 1014 N N 1.608 120.307 118.700 -0.002 0.000 2.104 1014 N HA -0.180 4.560 4.740 0.000 0.000 0.190 1014 N C 1.239 176.745 175.510 -0.006 0.000 1.024 1014 N CA 1.587 54.634 53.050 -0.005 0.000 0.853 1014 N CB -0.065 38.418 38.487 -0.007 0.000 1.008 1014 N HN 0.073 nan 8.380 nan 0.000 0.424 1015 D N -0.307 120.090 120.400 -0.006 0.000 2.190 1015 D HA -0.134 4.507 4.640 0.000 0.000 0.200 1015 D C 1.629 177.927 176.300 -0.003 0.000 0.992 1015 D CA 0.731 54.726 54.000 -0.008 0.000 0.854 1015 D CB -0.147 40.651 40.800 -0.003 0.000 0.936 1015 D HN 0.293 nan 8.370 nan 0.000 0.462 1016 L N 0.412 121.635 121.223 -0.000 0.000 2.313 1016 L HA -0.014 4.326 4.340 0.000 0.000 0.214 1016 L C 0.770 177.637 176.870 -0.004 0.000 1.119 1016 L CA 0.597 55.436 54.840 -0.001 0.000 0.809 1016 L CB -0.232 41.824 42.059 -0.004 0.000 0.933 1016 L HN -0.049 nan 8.230 nan 0.000 0.449 1017 Q N -0.101 119.696 119.800 -0.005 0.000 2.457 1017 Q HA -0.263 4.077 4.340 0.000 0.000 0.283 1017 Q C 1.195 177.191 176.000 -0.007 0.000 1.234 1017 Q CA 0.933 56.733 55.803 -0.005 0.000 0.877 1017 Q CB -2.306 26.430 28.738 -0.003 0.000 1.250 1017 Q HN 0.671 nan 8.270 nan 0.000 0.481 1018 G N -1.833 106.962 108.800 -0.009 0.000 2.148 1018 G HA2 -0.264 3.697 3.960 0.000 0.000 0.254 1018 G HA3 -0.264 3.697 3.960 0.000 0.000 0.254 1018 G C 0.366 175.255 174.900 -0.019 0.000 0.981 1018 G CA 0.496 45.589 45.100 -0.012 0.000 0.670 1018 G HN 1.235 nan 8.290 nan 0.000 0.528 1019 A N -0.541 122.267 122.820 -0.021 0.000 2.531 1019 A HA 0.570 4.890 4.320 0.000 0.000 0.236 1019 A C 1.048 178.599 177.584 -0.055 0.000 1.062 1019 A CA 1.387 53.404 52.037 -0.034 0.000 0.760 1019 A CB 0.244 19.226 19.000 -0.030 0.000 0.995 1019 A HN 0.594 nan 8.150 nan 0.000 0.501 1020 Q N 0.588 120.344 119.800 -0.074 0.000 2.140 1020 Q HA 0.310 4.650 4.340 0.000 0.000 0.227 1020 Q C -0.575 175.324 176.000 -0.170 0.000 0.798 1020 Q CA -0.034 55.708 55.803 -0.102 0.000 0.987 1020 Q CB 0.768 29.466 28.738 -0.068 0.000 1.161 1020 Q HN 0.728 nan 8.270 nan 0.000 0.480 1021 L N 0.731 121.858 121.223 -0.160 0.000 2.365 1021 L HA 0.822 5.162 4.340 0.000 0.000 0.273 1021 L C -1.632 175.118 176.870 -0.200 0.000 1.000 1021 L CA -0.639 54.079 54.840 -0.203 0.000 0.819 1021 L CB 1.608 43.595 42.059 -0.120 0.000 1.284 1021 L HN -0.079 nan 8.230 nan 0.000 0.418 1022 A N 5.768 128.415 122.820 -0.287 0.000 2.355 1022 A HA 0.719 5.039 4.320 0.000 0.000 0.317 1022 A C -0.920 176.637 177.584 -0.045 0.000 1.094 1022 A CA -0.582 51.365 52.037 -0.150 0.000 0.764 1022 A CB 1.049 19.957 19.000 -0.154 0.000 1.230 1022 A HN 0.683 nan 8.150 nan 0.000 0.448 1023 I N 2.432 123.009 120.570 0.011 0.000 2.331 1023 I HA 0.379 4.549 4.170 0.000 0.000 0.292 1023 I C -0.207 175.958 176.117 0.080 0.000 0.998 1023 I CA -0.629 60.694 61.300 0.040 0.000 1.267 1023 I CB 1.777 39.787 38.000 0.017 0.000 1.386 1023 I HN 0.453 nan 8.210 nan 0.000 0.476 1024 V N 5.458 125.433 119.914 0.102 0.000 2.276 1024 V HA 0.496 4.616 4.120 0.000 0.000 0.268 1024 V C -2.537 173.606 176.094 0.080 0.000 1.032 1024 V CA -1.846 60.527 62.300 0.121 0.000 0.810 1024 V CB 0.360 32.292 31.823 0.181 0.000 1.060 1024 V HN 0.467 nan 8.190 nan 0.000 0.446 1025 P HA 0.314 nan 4.420 nan 0.000 0.276 1025 P C 0.982 178.307 177.300 0.041 0.000 1.261 1025 P CA 0.290 63.413 63.100 0.037 0.000 0.800 1025 P CB 1.827 33.538 31.700 0.018 0.000 1.066 1026 G N 0.414 109.228 108.800 0.023 0.000 2.411 1026 G HA2 -0.051 3.909 3.960 0.000 0.000 0.213 1026 G HA3 -0.051 3.909 3.960 0.000 0.000 0.213 1026 G C 0.073 174.971 174.900 -0.003 0.000 1.166 1026 G CA 0.175 45.282 45.100 0.013 0.000 0.802 1026 G HN 0.639 nan 8.290 nan 0.000 0.533 1027 D N 0.706 121.101 120.400 -0.008 0.000 2.277 1027 D HA 0.262 4.902 4.640 0.000 0.000 0.249 1027 D C -2.125 174.169 176.300 -0.009 0.000 1.134 1027 D CA -2.118 51.870 54.000 -0.020 0.000 0.863 1027 D CB 1.774 42.559 40.800 -0.026 0.000 1.143 1027 D HN -0.006 nan 8.370 nan 0.000 0.458 1028 P HA -0.150 nan 4.420 nan 0.000 0.219 1028 P C 0.880 178.189 177.300 0.014 0.000 1.146 1028 P CA 1.176 64.285 63.100 0.016 0.000 0.808 1028 P CB 0.280 31.981 31.700 0.002 0.000 0.779 1029 E N -0.971 119.223 120.200 -0.009 0.000 2.358 1029 E HA -0.079 4.272 4.350 0.000 0.000 0.195 1029 E C 2.090 178.659 176.600 -0.051 0.000 1.010 1029 E CA 0.246 56.633 56.400 -0.021 0.000 0.856 1029 E CB -0.222 29.465 29.700 -0.023 0.000 0.795 1029 E HN 0.203 nan 8.360 nan 0.000 0.504 1030 R N 0.738 121.209 120.500 -0.049 0.000 2.240 1030 R HA -0.030 4.310 4.340 0.000 0.000 0.203 1030 R C 1.998 178.232 176.300 -0.112 0.000 1.011 1030 R CA 0.213 56.272 56.100 -0.069 0.000 1.007 1030 R CB 0.215 30.489 30.300 -0.042 0.000 0.911 1030 R HN 0.007 nan 8.270 nan 0.000 0.468 1031 V N 0.988 120.840 119.914 -0.104 0.000 2.287 1031 V HA -0.271 3.849 4.120 0.000 0.000 0.248 1031 V C 2.219 178.051 176.094 -0.437 0.000 1.053 1031 V CA 2.230 64.442 62.300 -0.147 0.000 1.027 1031 V CB -0.489 31.336 31.823 0.004 0.000 0.646 1031 V HN 0.449 nan 8.190 nan 0.000 0.447 1032 E N 0.219 120.051 120.200 -0.613 0.000 2.077 1032 E HA -0.259 4.091 4.350 0.000 0.000 0.193 1032 E C 2.266 178.495 176.600 -0.617 0.000 0.989 1032 E CA 1.446 57.225 56.400 -1.035 0.000 0.800 1032 E CB -0.048 29.248 29.700 -0.674 0.000 0.746 1032 E HN 0.597 nan 8.360 nan 0.000 0.452 1033 K N 0.096 120.290 120.400 -0.343 0.000 2.057 1033 K HA -0.146 4.174 4.320 0.000 0.000 0.207 1033 K C 2.232 178.717 176.600 -0.191 0.000 1.049 1033 K CA 1.509 57.666 56.287 -0.217 0.000 0.931 1033 K CB -0.173 32.245 32.500 -0.136 0.000 0.714 1033 K HN 0.234 nan 8.250 nan 0.000 0.440 1034 I N 1.130 121.591 120.570 -0.183 0.000 2.252 1034 I HA -0.237 3.934 4.170 0.000 0.000 0.245 1034 I C 2.508 178.543 176.117 -0.138 0.000 1.102 1034 I CA 1.011 62.234 61.300 -0.128 0.000 1.385 1034 I CB -0.335 37.612 38.000 -0.088 0.000 1.064 1034 I HN 0.128 nan 8.210 nan 0.000 0.414 1035 A N 0.688 123.377 122.820 -0.217 0.000 1.972 1035 A HA -0.132 4.188 4.320 0.000 0.000 0.219 1035 A C 2.458 179.957 177.584 -0.141 0.000 1.169 1035 A CA 1.644 53.581 52.037 -0.167 0.000 0.635 1035 A CB -0.764 18.092 19.000 -0.241 0.000 0.810 1035 A HN 0.429 nan 8.150 nan 0.000 0.446 1036 A N -1.083 121.613 122.820 -0.207 0.000 2.178 1036 A HA 0.104 4.424 4.320 0.000 0.000 0.218 1036 A C 1.710 179.250 177.584 -0.073 0.000 1.157 1036 A CA 1.190 53.148 52.037 -0.132 0.000 0.689 1036 A CB -0.375 18.534 19.000 -0.152 0.000 0.787 1036 A HN 0.387 nan 8.150 nan 0.000 0.465 1037 L N -1.206 119.975 121.223 -0.071 0.000 2.599 1037 L HA 0.220 4.561 4.340 0.000 0.000 0.230 1037 L C 1.032 177.883 176.870 -0.031 0.000 1.141 1037 L CA 0.810 55.622 54.840 -0.047 0.000 0.877 1037 L CB -0.343 41.686 42.059 -0.050 0.000 1.009 1037 L HN 0.395 nan 8.230 nan 0.000 0.447 1038 M N -2.122 117.464 119.600 -0.023 0.000 2.861 1038 M HA 0.323 4.803 4.480 0.000 0.000 0.294 1038 M C -0.755 175.551 176.300 0.011 0.000 1.185 1038 M CA -0.906 54.391 55.300 -0.004 0.000 0.809 1038 M CB 1.186 33.788 32.600 0.003 0.000 1.722 1038 M HN -0.253 nan 8.290 nan 0.000 0.496 1039 D N 1.495 121.906 120.400 0.019 0.000 2.175 1039 D HA 0.204 4.845 4.640 0.000 0.000 0.248 1039 D C -0.435 175.893 176.300 0.045 0.000 1.047 1039 D CA -0.047 53.969 54.000 0.026 0.000 0.883 1039 D CB 0.941 41.751 40.800 0.017 0.000 1.180 1039 D HN 0.381 nan 8.370 nan 0.000 0.438 1040 K N -0.557 119.874 120.400 0.052 0.000 3.156 1040 K HA -0.123 4.197 4.320 0.000 0.000 0.266 1040 K C -2.365 174.300 176.600 0.108 0.000 0.966 1040 K CA 0.208 56.535 56.287 0.065 0.000 0.719 1040 K CB -2.155 30.371 32.500 0.042 0.000 1.333 1040 K HN 0.435 nan 8.250 nan 0.000 0.468 1041 P HA 0.232 nan 4.420 nan 0.000 0.271 1041 P C -0.211 177.318 177.300 0.382 0.000 1.216 1041 P CA -0.246 63.046 63.100 0.320 0.000 0.771 1041 P CB 1.450 33.348 31.700 0.330 0.000 0.864 1042 V N 3.433 123.482 119.914 0.225 0.000 2.760 1042 V HA 0.318 4.438 4.120 0.000 0.000 0.309 1042 V C -0.179 175.452 176.094 -0.772 0.000 1.077 1042 V CA -1.184 60.978 62.300 -0.230 0.000 0.910 1042 V CB 2.058 33.796 31.823 -0.141 0.000 1.008 1042 V HN 0.515 nan 8.190 nan 0.000 0.424 1043 K N 4.984 124.411 120.400 -1.621 0.000 2.368 1043 K HA 0.334 4.654 4.320 0.000 0.000 0.282 1043 K C 0.270 176.452 176.600 -0.697 0.000 1.035 1043 K CA -0.084 55.160 56.287 -1.738 0.000 0.973 1043 K CB 0.925 32.562 32.500 -1.438 0.000 0.957 1043 K HN 0.762 nan 8.250 nan 0.000 0.474 1044 L N 2.683 123.637 121.223 -0.447 0.000 2.265 1044 L HA 0.328 4.669 4.340 0.000 0.000 0.195 1044 L C 0.551 177.342 176.870 -0.132 0.000 1.083 1044 L CA 0.192 54.912 54.840 -0.199 0.000 0.798 1044 L CB 0.148 42.158 42.059 -0.082 0.000 0.989 1044 L HN 0.740 nan 8.230 nan 0.000 0.472 1045 A N -1.087 121.678 122.820 -0.091 0.000 2.610 1045 A HA 0.643 4.963 4.320 0.000 0.000 0.291 1045 A C -1.177 176.366 177.584 -0.070 0.000 1.086 1045 A CA -0.294 51.707 52.037 -0.060 0.000 0.677 1045 A CB 1.822 20.885 19.000 0.105 0.000 1.278 1045 A HN -0.110 nan 8.150 nan 0.000 0.414 1046 S N 0.697 116.247 115.700 -0.251 0.000 2.776 1046 S HA 0.633 5.104 4.470 0.000 0.000 0.284 1046 S C -1.698 172.655 174.600 -0.411 0.000 1.160 1046 S CA -0.482 57.614 58.200 -0.174 0.000 1.051 1046 S CB 0.261 63.403 63.200 -0.097 0.000 1.037 1046 S HN 0.700 nan 8.310 nan 0.000 0.485 1047 H N 3.637 122.792 119.070 0.142 0.000 2.782 1047 H HA 0.521 5.077 4.556 0.000 0.000 0.347 1047 H C 0.556 175.995 175.328 0.184 0.000 1.038 1047 H CA -0.472 55.667 56.048 0.152 0.000 1.255 1047 H CB 1.548 31.414 29.762 0.174 0.000 1.623 1047 H HN 0.767 nan 8.280 nan 0.000 0.525 1048 R N 0.499 121.118 120.500 0.198 0.000 3.835 1048 R HA -0.230 4.110 4.340 0.000 0.000 0.455 1048 R C 1.149 177.382 176.300 -0.112 0.000 0.241 1048 R CA 1.855 57.985 56.100 0.050 0.000 1.439 1048 R CB -0.744 29.611 30.300 0.093 0.000 0.987 1048 R HN 0.767 nan 8.270 nan 0.000 0.570 1049 E N 2.065 122.018 120.200 -0.412 0.000 2.494 1049 E HA -0.016 4.334 4.350 0.000 0.000 0.193 1049 E C -0.117 176.214 176.600 -0.448 0.000 1.074 1049 E CA 0.727 56.853 56.400 -0.456 0.000 0.867 1049 E CB 0.014 29.405 29.700 -0.515 0.000 0.924 1049 E HN 0.362 nan 8.360 nan 0.000 0.502 1050 F N 1.739 121.746 119.950 0.096 0.000 2.303 1050 F HA 0.298 4.825 4.527 0.000 0.000 0.368 1050 F C 0.203 176.069 175.800 0.110 0.000 1.105 1050 F CA -0.696 57.370 58.000 0.110 0.000 1.153 1050 F CB 1.307 40.391 39.000 0.139 0.000 1.362 1050 F HN -0.317 nan 8.300 nan 0.000 0.511 1051 T N 2.036 116.728 114.554 0.230 0.000 2.795 1051 T HA 0.507 4.858 4.350 0.000 0.000 0.282 1051 T C -0.203 174.653 174.700 0.260 0.000 0.980 1051 T CA -0.738 61.487 62.100 0.208 0.000 1.012 1051 T CB 1.144 70.122 68.868 0.183 0.000 0.936 1051 T HN 0.540 nan 8.240 nan 0.000 0.457 1052 S N 2.047 117.896 115.700 0.249 0.000 2.536 1052 S HA 0.789 5.259 4.470 0.000 0.000 0.287 1052 S C -1.694 173.058 174.600 0.254 0.000 1.101 1052 S CA -1.031 57.318 58.200 0.249 0.000 0.950 1052 S CB 1.327 64.627 63.200 0.166 0.000 1.056 1052 S HN 0.678 nan 8.310 nan 0.000 0.481 1053 W N 0.967 122.287 121.300 0.034 0.000 3.032 1053 W HA 0.643 5.303 4.660 0.000 0.000 0.335 1053 W C -0.012 176.516 176.519 0.014 0.000 1.154 1053 W CA -0.727 56.629 57.345 0.019 0.000 1.204 1053 W CB 1.973 31.442 29.460 0.014 0.000 1.416 1053 W HN 0.772 nan 8.180 nan 0.000 0.521 1054 R N 1.830 122.450 120.500 0.200 0.000 2.589 1054 R HA 0.890 5.230 4.340 0.000 0.000 0.293 1054 R C -0.701 175.698 176.300 0.165 0.000 0.963 1054 R CA -0.354 55.826 56.100 0.133 0.000 0.905 1054 R CB 1.364 31.696 30.300 0.053 0.000 1.144 1054 R HN 0.621 nan 8.270 nan 0.000 0.459 1055 A N 3.036 125.927 122.820 0.119 0.000 2.524 1055 A HA 0.509 4.829 4.320 0.000 0.000 0.286 1055 A C -1.447 176.168 177.584 0.052 0.000 1.203 1055 A CA -0.777 51.319 52.037 0.098 0.000 0.736 1055 A CB 1.669 20.727 19.000 0.096 0.000 1.322 1055 A HN 0.748 nan 8.150 nan 0.000 0.424 1056 E N -0.493 119.731 120.200 0.039 0.000 2.171 1056 E HA 0.542 4.892 4.350 0.000 0.000 0.271 1056 E C -1.776 174.831 176.600 0.012 0.000 0.916 1056 E CA -0.536 55.877 56.400 0.021 0.000 0.774 1056 E CB 2.271 31.982 29.700 0.018 0.000 1.128 1056 E HN 0.387 nan 8.360 nan 0.000 0.403 1057 L N 3.629 124.853 121.223 0.003 0.000 2.372 1057 L HA 0.315 4.656 4.340 0.000 0.000 0.274 1057 L C -1.000 175.866 176.870 -0.007 0.000 0.988 1057 L CA -0.232 54.606 54.840 -0.004 0.000 0.833 1057 L CB 1.248 43.301 42.059 -0.010 0.000 1.236 1057 L HN 0.481 nan 8.230 nan 0.000 0.410 1058 D N 4.577 124.972 120.400 -0.007 0.000 2.702 1058 D HA -0.216 4.424 4.640 0.000 0.000 0.233 1058 D C 1.155 177.451 176.300 -0.005 0.000 1.164 1058 D CA 1.574 55.570 54.000 -0.007 0.000 0.638 1058 D CB -0.993 39.801 40.800 -0.010 0.000 1.041 1058 D HN 1.212 nan 8.370 nan 0.000 0.422 1059 G N -0.918 107.881 108.800 -0.002 0.000 2.179 1059 G HA2 -0.361 3.599 3.960 0.000 0.000 0.260 1059 G HA3 -0.361 3.599 3.960 0.000 0.000 0.260 1059 G C 0.212 175.111 174.900 -0.002 0.000 0.977 1059 G CA 0.697 45.796 45.100 -0.001 0.000 0.641 1059 G HN 0.509 nan 8.290 nan 0.000 0.533 1060 K N 0.442 120.840 120.400 -0.004 0.000 2.207 1060 K HA 0.751 5.071 4.320 0.000 0.000 0.255 1060 K C 0.445 177.043 176.600 -0.004 0.000 0.941 1060 K CA -0.171 56.112 56.287 -0.006 0.000 0.825 1060 K CB 2.063 34.556 32.500 -0.011 0.000 1.119 1060 K HN 0.535 nan 8.250 nan 0.000 0.430 1061 A N 2.143 124.960 122.820 -0.004 0.000 2.477 1061 A HA 0.353 4.673 4.320 0.000 0.000 0.246 1061 A C -0.287 177.293 177.584 -0.007 0.000 1.078 1061 A CA -0.128 51.908 52.037 -0.000 0.000 0.770 1061 A CB 0.176 19.175 19.000 -0.001 0.000 1.011 1061 A HN 0.420 nan 8.150 nan 0.000 0.494 1062 V N 3.897 123.813 119.914 0.003 0.000 2.841 1062 V HA 0.368 4.488 4.120 0.000 0.000 0.310 1062 V C -0.525 175.580 176.094 0.019 0.000 1.090 1062 V CA -0.688 61.609 62.300 -0.005 0.000 0.930 1062 V CB 1.953 33.773 31.823 -0.006 0.000 1.014 1062 V HN 0.759 nan 8.190 nan 0.000 0.425 1063 I N 3.576 124.150 120.570 0.007 0.000 2.437 1063 I HA 0.503 4.674 4.170 0.000 0.000 0.298 1063 I C -0.285 175.867 176.117 0.058 0.000 0.984 1063 I CA -0.514 60.811 61.300 0.043 0.000 1.214 1063 I CB 1.892 39.906 38.000 0.023 0.000 1.365 1063 I HN 0.268 nan 8.210 nan 0.000 0.469 1064 V N 5.358 125.338 119.914 0.111 0.000 2.409 1064 V HA 0.411 4.531 4.120 0.000 0.000 0.291 1064 V C -0.373 175.814 176.094 0.154 0.000 1.020 1064 V CA -0.481 61.883 62.300 0.106 0.000 0.848 1064 V CB 1.971 33.837 31.823 0.073 0.000 0.990 1064 V HN 0.895 nan 8.190 nan 0.000 0.430 1065 C N 5.094 124.480 119.300 0.144 0.000 2.551 1065 C HA 0.689 5.149 4.460 0.000 0.000 0.332 1065 C C 0.536 175.635 174.990 0.182 0.000 1.139 1065 C CA -0.421 58.706 59.018 0.183 0.000 1.328 1065 C CB 1.087 28.938 27.740 0.185 0.000 1.903 1065 C HN 1.047 nan 8.230 nan 0.000 0.459 1066 S N 3.361 119.174 115.700 0.189 0.000 2.585 1066 S HA 0.348 4.818 4.470 0.000 0.000 0.273 1066 S C 0.949 175.687 174.600 0.230 0.000 1.339 1066 S CA 0.424 58.716 58.200 0.153 0.000 1.028 1066 S CB 1.288 64.542 63.200 0.090 0.000 0.906 1066 S HN 1.043 nan 8.310 nan 0.000 0.528 1067 T N -1.282 113.366 114.554 0.156 0.000 3.014 1067 T HA 0.514 4.864 4.350 0.000 0.000 0.250 1067 T C 1.208 175.949 174.700 0.069 0.000 1.060 1067 T CA 0.291 62.507 62.100 0.194 0.000 1.040 1067 T CB -0.941 67.996 68.868 0.115 0.000 0.971 1067 T HN 1.916 nan 8.240 nan 0.000 0.497 1068 G N 1.566 110.340 108.800 -0.044 0.000 2.855 1068 G HA2 -0.136 3.824 3.960 0.000 0.000 0.352 1068 G HA3 -0.136 3.824 3.960 0.000 0.000 0.352 1068 G C -0.559 174.313 174.900 -0.046 0.000 1.415 1068 G CA -0.475 44.559 45.100 -0.110 0.000 0.871 1068 G HN 0.652 nan 8.290 nan 0.000 0.543 1069 I N 2.140 122.677 120.570 -0.054 0.000 2.395 1069 I HA 0.522 4.693 4.170 0.000 0.000 0.289 1069 I C 1.121 177.228 176.117 -0.016 0.000 1.023 1069 I CA 1.078 62.361 61.300 -0.029 0.000 1.350 1069 I CB 0.639 38.617 38.000 -0.037 0.000 1.409 1069 I HN 1.984 nan 8.210 nan 0.000 0.507 1070 G N 3.919 112.718 108.800 -0.002 0.000 2.663 1070 G HA2 -0.092 3.868 3.960 0.000 0.000 0.686 1070 G HA3 -0.092 3.868 3.960 0.000 0.000 0.686 1070 G C 0.544 175.446 174.900 0.002 0.000 1.246 1070 G CA -0.469 44.631 45.100 0.000 0.000 0.795 1070 G HN 0.929 nan 8.290 nan 0.000 0.627 1071 G N 0.457 109.256 108.800 -0.003 0.000 2.446 1071 G HA2 0.045 4.005 3.960 0.000 0.000 0.217 1071 G HA3 0.045 4.005 3.960 0.000 0.000 0.217 1071 G C 0.161 175.061 174.900 0.001 0.000 1.168 1071 G CA 2.155 47.252 45.100 -0.006 0.000 0.771 1071 G HN 0.701 nan 8.290 nan 0.000 0.551 1072 P HA -0.147 nan 4.420 nan 0.000 0.214 1072 P C 2.486 179.808 177.300 0.036 0.000 1.163 1072 P CA 2.517 65.613 63.100 -0.006 0.000 0.889 1072 P CB -0.266 31.424 31.700 -0.016 0.000 0.790 1073 S N -2.082 113.653 115.700 0.060 0.000 2.383 1073 S HA -0.119 4.351 4.470 0.000 0.000 0.227 1073 S C 1.945 176.675 174.600 0.217 0.000 1.026 1073 S CA 1.779 60.079 58.200 0.167 0.000 0.981 1073 S CB -1.973 61.270 63.200 0.071 0.000 0.818 1073 S HN 0.093 nan 8.310 nan 0.000 0.472 1074 T N 3.143 117.758 114.554 0.102 0.000 2.684 1074 T HA -0.140 4.210 4.350 0.000 0.000 0.267 1074 T C 2.345 177.040 174.700 -0.010 0.000 1.036 1074 T CA 1.980 64.112 62.100 0.054 0.000 1.148 1074 T CB -0.817 68.051 68.868 -0.001 0.000 0.863 1074 T HN 0.798 nan 8.240 nan 0.000 0.436 1075 S N 1.238 116.935 115.700 -0.005 0.000 2.399 1075 S HA -0.056 4.415 4.470 0.000 0.000 0.231 1075 S C 2.077 176.671 174.600 -0.010 0.000 1.022 1075 S CA 0.862 59.061 58.200 -0.002 0.000 0.983 1075 S CB -0.772 62.529 63.200 0.168 0.000 0.803 1075 S HN 0.510 nan 8.310 nan 0.000 0.480 1076 I N 2.153 122.706 120.570 -0.029 0.000 2.163 1076 I HA -0.109 4.061 4.170 0.000 0.000 0.240 1076 I C 3.144 179.138 176.117 -0.206 0.000 1.081 1076 I CA 1.095 62.308 61.300 -0.145 0.000 1.353 1076 I CB -0.780 37.037 38.000 -0.305 0.000 1.054 1076 I HN 0.434 nan 8.210 nan 0.000 0.407 1077 A N 0.552 123.259 122.820 -0.189 0.000 1.865 1077 A HA -0.189 4.131 4.320 0.000 0.000 0.217 1077 A C 2.416 179.973 177.584 -0.045 0.000 1.191 1077 A CA 2.140 54.089 52.037 -0.147 0.000 0.623 1077 A CB -1.113 17.937 19.000 0.083 0.000 0.826 1077 A HN 0.247 nan 8.150 nan 0.000 0.444 1078 V N 0.184 120.028 119.914 -0.117 0.000 2.295 1078 V HA -0.252 3.868 4.120 0.000 0.000 0.246 1078 V C 2.638 178.640 176.094 -0.154 0.000 1.049 1078 V CA 2.495 64.606 62.300 -0.315 0.000 1.024 1078 V CB -0.822 30.605 31.823 -0.660 0.000 0.648 1078 V HN 0.766 nan 8.190 nan 0.000 0.447 1079 E N 0.937 121.077 120.200 -0.101 0.000 2.058 1079 E HA -0.245 4.105 4.350 0.000 0.000 0.194 1079 E C 2.091 178.715 176.600 0.039 0.000 0.997 1079 E CA 2.034 58.428 56.400 -0.010 0.000 0.801 1079 E CB -0.315 29.407 29.700 0.036 0.000 0.746 1079 E HN 0.682 nan 8.360 nan 0.000 0.450 1080 E N -0.158 120.055 120.200 0.021 0.000 2.107 1080 E HA -0.094 4.256 4.350 0.000 0.000 0.191 1080 E C 2.299 178.940 176.600 0.069 0.000 0.982 1080 E CA 0.909 57.331 56.400 0.037 0.000 0.809 1080 E CB -0.135 29.567 29.700 0.003 0.000 0.756 1080 E HN 0.288 nan 8.360 nan 0.000 0.459 1081 L N 0.757 122.048 121.223 0.114 0.000 2.042 1081 L HA -0.213 4.127 4.340 0.000 0.000 0.210 1081 L C 2.599 179.587 176.870 0.196 0.000 1.076 1081 L CA 1.095 56.042 54.840 0.179 0.000 0.749 1081 L CB -0.487 41.769 42.059 0.329 0.000 0.893 1081 L HN 0.147 nan 8.230 nan 0.000 0.432 1082 A N -0.509 122.475 122.820 0.274 0.000 1.877 1082 A HA -0.261 4.059 4.320 0.000 0.000 0.216 1082 A C 2.227 179.878 177.584 0.112 0.000 1.186 1082 A CA 1.619 53.790 52.037 0.223 0.000 0.620 1082 A CB -0.514 18.605 19.000 0.198 0.000 0.822 1082 A HN 0.479 nan 8.150 nan 0.000 0.443 1083 Q N -0.557 119.295 119.800 0.088 0.000 2.096 1083 Q HA -0.141 4.199 4.340 0.000 0.000 0.204 1083 Q C 1.965 177.993 176.000 0.047 0.000 0.982 1083 Q CA 1.534 57.373 55.803 0.060 0.000 0.850 1083 Q CB -0.357 28.414 28.738 0.054 0.000 0.901 1083 Q HN 0.690 nan 8.270 nan 0.000 0.422 1084 L N -1.410 119.842 121.223 0.049 0.000 2.376 1084 L HA -0.024 4.316 4.340 0.000 0.000 0.219 1084 L C 1.389 178.271 176.870 0.020 0.000 1.133 1084 L CA 0.875 55.734 54.840 0.031 0.000 0.816 1084 L CB 0.037 42.115 42.059 0.031 0.000 0.933 1084 L HN 0.494 nan 8.230 nan 0.000 0.449 1085 G N -1.101 107.713 108.800 0.023 0.000 2.273 1085 G HA2 -0.142 3.818 3.960 0.000 0.000 0.162 1085 G HA3 -0.142 3.818 3.960 0.000 0.000 0.162 1085 G C 0.169 175.052 174.900 -0.028 0.000 1.006 1085 G CA -0.736 44.366 45.100 0.004 0.000 0.704 1085 G HN 0.009 nan 8.290 nan 0.000 0.487 1086 I N 1.344 121.883 120.570 -0.051 0.000 2.556 1086 I HA 0.329 4.499 4.170 0.000 0.000 0.284 1086 I C 1.275 177.288 176.117 -0.173 0.000 1.114 1086 I CA 0.186 61.360 61.300 -0.210 0.000 1.418 1086 I CB 1.053 38.800 38.000 -0.422 0.000 1.394 1086 I HN 0.076 nan 8.210 nan 0.000 0.552 1087 R N 2.958 123.333 120.500 -0.208 0.000 2.419 1087 R HA 0.200 4.540 4.340 0.000 0.000 0.235 1087 R C -0.168 176.091 176.300 -0.069 0.000 0.899 1087 R CA 0.234 56.301 56.100 -0.055 0.000 1.048 1087 R CB 0.485 30.775 30.300 -0.017 0.000 1.182 1087 R HN 0.531 nan 8.270 nan 0.000 0.544 1088 T N 1.237 115.614 114.554 -0.294 0.000 2.848 1088 T HA 0.595 4.945 4.350 0.000 0.000 0.285 1088 T C -1.043 173.406 174.700 -0.419 0.000 0.995 1088 T CA -0.302 61.688 62.100 -0.183 0.000 0.970 1088 T CB 1.329 70.135 68.868 -0.103 0.000 0.976 1088 T HN -0.173 nan 8.240 nan 0.000 0.441 1089 F N 2.512 122.458 119.950 -0.007 0.000 2.518 1089 F HA 0.591 5.118 4.527 0.000 0.000 0.323 1089 F C -0.333 175.462 175.800 -0.009 0.000 1.129 1089 F CA -1.097 56.899 58.000 -0.007 0.000 0.920 1089 F CB 1.422 40.414 39.000 -0.014 0.000 1.160 1089 F HN 0.217 nan 8.300 nan 0.000 0.440 1090 L N 4.092 125.396 121.223 0.135 0.000 2.316 1090 L HA 0.522 4.862 4.340 0.000 0.000 0.280 1090 L C -0.071 176.847 176.870 0.079 0.000 1.006 1090 L CA -0.690 54.198 54.840 0.080 0.000 0.836 1090 L CB 1.765 43.841 42.059 0.028 0.000 1.221 1090 L HN 0.599 nan 8.230 nan 0.000 0.418 1091 R N 3.924 124.465 120.500 0.069 0.000 2.340 1091 R HA 0.463 4.803 4.340 0.000 0.000 0.300 1091 R C -0.911 175.407 176.300 0.030 0.000 1.069 1091 R CA -0.387 55.744 56.100 0.051 0.000 0.984 1091 R CB 1.115 31.438 30.300 0.037 0.000 1.003 1091 R HN 0.494 nan 8.270 nan 0.000 0.459 1092 I N 4.176 124.761 120.570 0.026 0.000 2.436 1092 I HA 0.531 4.701 4.170 0.000 0.000 0.289 1092 I C -0.679 175.446 176.117 0.015 0.000 1.010 1092 I CA -0.097 61.212 61.300 0.015 0.000 1.098 1092 I CB 1.327 39.331 38.000 0.007 0.000 1.266 1092 I HN 0.867 nan 8.210 nan 0.000 0.434 1093 G N 4.633 113.442 108.800 0.014 0.000 2.818 1093 G HA2 0.740 4.700 3.960 0.000 0.000 0.286 1093 G HA3 0.740 4.700 3.960 0.000 0.000 0.286 1093 G C -1.184 173.727 174.900 0.017 0.000 1.364 1093 G CA -0.447 44.662 45.100 0.016 0.000 0.938 1093 G HN 0.587 nan 8.290 nan 0.000 0.490 1094 T N -2.434 112.132 114.554 0.020 0.000 2.863 1094 T HA 0.720 5.070 4.350 0.000 0.000 0.285 1094 T C -0.515 174.204 174.700 0.030 0.000 1.009 1094 T CA -0.736 61.378 62.100 0.023 0.000 0.989 1094 T CB 2.031 70.911 68.868 0.020 0.000 1.004 1094 T HN 0.714 nan 8.240 nan 0.000 0.455 1095 T N 0.439 115.009 114.554 0.028 0.000 2.864 1095 T HA 0.713 5.063 4.350 0.000 0.000 0.299 1095 T C -0.424 174.289 174.700 0.022 0.000 1.166 1095 T CA -0.492 61.625 62.100 0.028 0.000 1.007 1095 T CB 1.503 70.381 68.868 0.017 0.000 1.219 1095 T HN 1.097 nan 8.240 nan 0.000 0.506 1096 G N 1.451 110.264 108.800 0.023 0.000 2.335 1096 G HA2 0.637 4.597 3.960 0.000 0.000 0.314 1096 G HA3 0.637 4.597 3.960 0.000 0.000 0.314 1096 G C -0.024 174.878 174.900 0.004 0.000 1.129 1096 G CA -0.223 44.885 45.100 0.014 0.000 0.912 1096 G HN 0.952 nan 8.290 nan 0.000 0.443 1097 A N 2.150 124.956 122.820 -0.023 0.000 2.351 1097 A HA 0.572 4.892 4.320 0.000 0.000 0.257 1097 A C 1.103 178.660 177.584 -0.045 0.000 1.087 1097 A CA -0.395 51.605 52.037 -0.061 0.000 0.798 1097 A CB 0.335 19.273 19.000 -0.104 0.000 1.033 1097 A HN 1.285 nan 8.150 nan 0.000 0.488 1098 I N -2.604 117.922 120.570 -0.073 0.000 4.154 1098 I HA 0.250 4.420 4.170 0.000 0.000 0.334 1098 I C -0.243 175.853 176.117 -0.034 0.000 1.371 1098 I CA -0.292 60.986 61.300 -0.037 0.000 1.110 1098 I CB 0.228 38.195 38.000 -0.055 0.000 1.085 1098 I HN 0.315 nan 8.210 nan 0.000 0.398 1099 Q N 2.191 121.944 119.800 -0.077 0.000 2.271 1099 Q HA 0.377 4.718 4.340 0.000 0.000 0.258 1099 Q C -1.949 174.012 176.000 -0.065 0.000 0.936 1099 Q CA -1.931 53.841 55.803 -0.051 0.000 0.909 1099 Q CB 1.919 30.608 28.738 -0.082 0.000 1.253 1099 Q HN 0.014 nan 8.270 nan 0.000 0.440 1100 P HA -0.154 nan 4.420 nan 0.000 0.220 1100 P C 0.772 178.085 177.300 0.021 0.000 1.148 1100 P CA 1.411 64.522 63.100 0.019 0.000 0.803 1100 P CB 0.101 31.829 31.700 0.047 0.000 0.782 1101 H N -1.995 117.046 119.070 -0.050 0.000 2.551 1101 H HA 0.184 4.740 4.556 0.000 0.000 0.266 1101 H C 0.527 175.806 175.328 -0.081 0.000 0.977 1101 H CA -0.065 55.957 56.048 -0.043 0.000 1.163 1101 H CB -0.851 28.894 29.762 -0.029 0.000 1.381 1101 H HN 0.038 nan 8.280 nan 0.000 0.581 1102 I N 2.666 122.874 120.570 -0.603 0.000 2.312 1102 I HA 0.095 4.265 4.170 0.000 0.000 0.291 1102 I C -0.290 175.714 176.117 -0.188 0.000 1.031 1102 I CA -0.475 60.494 61.300 -0.552 0.000 1.293 1102 I CB 0.560 38.164 38.000 -0.660 0.000 1.403 1102 I HN 0.328 nan 8.210 nan 0.000 0.484 1103 N N 5.259 123.925 118.700 -0.057 0.000 2.492 1103 N HA 0.283 5.023 4.740 0.000 0.000 0.289 1103 N C -0.392 175.116 175.510 -0.004 0.000 1.133 1103 N CA -0.567 52.475 53.050 -0.013 0.000 0.961 1103 N CB 2.162 40.660 38.487 0.018 0.000 1.186 1103 N HN 0.174 nan 8.380 nan 0.000 0.493 1104 V N 1.099 121.007 119.914 -0.009 0.000 2.617 1104 V HA 0.168 4.288 4.120 0.000 0.000 0.304 1104 V C 1.531 177.617 176.094 -0.014 0.000 1.040 1104 V CA 1.545 63.840 62.300 -0.009 0.000 1.149 1104 V CB 0.145 31.962 31.823 -0.009 0.000 0.914 1104 V HN 1.076 nan 8.190 nan 0.000 0.487 1105 G N 3.840 112.629 108.800 -0.018 0.000 2.254 1105 G HA2 -0.183 3.777 3.960 0.000 0.000 0.225 1105 G HA3 -0.183 3.777 3.960 0.000 0.000 0.225 1105 G C -0.019 174.871 174.900 -0.017 0.000 1.003 1105 G CA 0.021 45.092 45.100 -0.048 0.000 0.622 1105 G HN 0.670 nan 8.290 nan 0.000 0.507 1106 D N 0.246 120.662 120.400 0.027 0.000 2.368 1106 D HA 0.496 5.136 4.640 0.000 0.000 0.240 1106 D C 0.467 176.814 176.300 0.079 0.000 1.169 1106 D CA 0.152 54.194 54.000 0.070 0.000 0.906 1106 D CB 1.625 42.528 40.800 0.171 0.000 1.187 1106 D HN 0.248 nan 8.370 nan 0.000 0.435 1107 V N 1.817 121.776 119.914 0.076 0.000 2.555 1107 V HA 0.372 4.492 4.120 0.000 0.000 0.302 1107 V C -0.130 176.006 176.094 0.069 0.000 1.038 1107 V CA -0.756 61.583 62.300 0.065 0.000 0.887 1107 V CB 1.466 33.322 31.823 0.054 0.000 0.991 1107 V HN 0.275 nan 8.190 nan 0.000 0.434 1108 L N 5.150 126.409 121.223 0.059 0.000 2.333 1108 L HA 0.649 4.990 4.340 0.000 0.000 0.280 1108 L C -0.755 176.132 176.870 0.028 0.000 1.004 1108 L CA -0.792 54.083 54.840 0.059 0.000 0.820 1108 L CB 1.914 43.998 42.059 0.041 0.000 1.247 1108 L HN 0.315 nan 8.230 nan 0.000 0.416 1109 V N 1.799 121.728 119.914 0.025 0.000 2.398 1109 V HA 0.332 4.452 4.120 0.000 0.000 0.286 1109 V C 0.235 176.335 176.094 0.009 0.000 1.026 1109 V CA -0.376 61.928 62.300 0.007 0.000 0.868 1109 V CB 1.865 33.684 31.823 -0.007 0.000 0.982 1109 V HN 0.736 nan 8.190 nan 0.000 0.443 1110 T N 3.227 117.782 114.554 0.001 0.000 2.733 1110 T HA 0.209 4.559 4.350 0.000 0.000 0.294 1110 T C 1.300 176.001 174.700 0.002 0.000 0.956 1110 T CA 0.167 62.266 62.100 -0.003 0.000 0.987 1110 T CB 1.215 70.076 68.868 -0.011 0.000 0.920 1110 T HN 0.971 nan 8.240 nan 0.000 0.470 1111 T N 0.843 115.401 114.554 0.007 0.000 2.896 1111 T HA 0.445 4.795 4.350 0.000 0.000 0.263 1111 T C 0.750 175.457 174.700 0.012 0.000 1.050 1111 T CA 0.358 62.469 62.100 0.017 0.000 1.140 1111 T CB 0.133 69.017 68.868 0.026 0.000 0.877 1111 T HN 0.755 nan 8.240 nan 0.000 0.457 1112 A N -0.144 122.674 122.820 -0.004 0.000 2.586 1112 A HA 0.668 4.988 4.320 0.000 0.000 0.291 1112 A C -1.088 176.475 177.584 -0.035 0.000 1.062 1112 A CA -0.851 51.179 52.037 -0.011 0.000 0.666 1112 A CB 1.198 20.191 19.000 -0.012 0.000 1.281 1112 A HN 0.216 nan 8.150 nan 0.000 0.421 1113 S N -0.231 115.445 115.700 -0.039 0.000 2.513 1113 S HA 0.583 5.053 4.470 0.000 0.000 0.299 1113 S C -0.378 174.165 174.600 -0.096 0.000 1.087 1113 S CA -0.556 57.600 58.200 -0.073 0.000 1.012 1113 S CB 1.680 64.848 63.200 -0.054 0.000 1.044 1113 S HN 0.928 nan 8.310 nan 0.000 0.485 1114 V N 3.410 123.213 119.914 -0.186 0.000 2.485 1114 V HA 0.143 4.264 4.120 0.000 0.000 0.287 1114 V C 0.620 176.624 176.094 -0.150 0.000 1.022 1114 V CA 0.081 62.232 62.300 -0.248 0.000 1.067 1114 V CB -0.218 31.244 31.823 -0.601 0.000 0.967 1114 V HN 0.699 nan 8.190 nan 0.000 0.479 1115 R N 5.361 125.826 120.500 -0.057 0.000 2.891 1115 R HA 0.319 4.659 4.340 0.000 0.000 0.248 1115 R C 0.031 176.364 176.300 0.055 0.000 1.439 1115 R CA -0.119 55.989 56.100 0.012 0.000 1.288 1115 R CB 0.020 30.352 30.300 0.054 0.000 1.212 1115 R HN 0.671 nan 8.270 nan 0.000 0.605 1116 L N 2.098 123.357 121.223 0.061 0.000 2.912 1116 L HA 0.144 4.484 4.340 0.000 0.000 0.240 1116 L C 0.254 177.208 176.870 0.141 0.000 1.262 1116 L CA -0.283 54.661 54.840 0.173 0.000 1.058 1116 L CB -0.651 41.551 42.059 0.238 0.000 1.383 1116 L HN 0.511 nan 8.230 nan 0.000 0.512 1117 D N -1.288 119.169 120.400 0.095 0.000 2.525 1117 D HA 0.320 4.961 4.640 0.000 0.000 0.249 1117 D C 0.730 177.075 176.300 0.076 0.000 1.072 1117 D CA -0.373 53.668 54.000 0.068 0.000 1.067 1117 D CB 1.924 42.746 40.800 0.038 0.000 1.282 1117 D HN -0.070 nan 8.370 nan 0.000 0.587 1118 G N -1.118 107.708 108.800 0.044 0.000 2.724 1118 G HA2 0.231 4.192 3.960 0.000 0.000 0.205 1118 G HA3 0.231 4.192 3.960 0.000 0.000 0.205 1118 G C 1.285 176.169 174.900 -0.026 0.000 1.112 1118 G CA 0.580 45.705 45.100 0.042 0.000 0.793 1118 G HN 0.615 nan 8.290 nan 0.000 0.526 1119 A N 1.774 124.532 122.820 -0.104 0.000 1.969 1119 A HA 0.002 4.323 4.320 0.000 0.000 0.218 1119 A C 2.671 180.328 177.584 0.121 0.000 1.169 1119 A CA 2.350 54.279 52.037 -0.180 0.000 0.635 1119 A CB -0.660 18.298 19.000 -0.070 0.000 0.810 1119 A HN 0.699 nan 8.150 nan 0.000 0.445 1120 S N 0.367 116.158 115.700 0.152 0.000 2.383 1120 S HA -0.142 4.328 4.470 0.000 0.000 0.229 1120 S C 1.726 176.470 174.600 0.240 0.000 1.030 1120 S CA 1.530 59.862 58.200 0.219 0.000 1.002 1120 S CB -0.799 62.476 63.200 0.125 0.000 0.829 1120 S HN 0.456 nan 8.310 nan 0.000 0.467 1121 L N 0.797 122.139 121.223 0.198 0.000 2.362 1121 L HA -0.022 4.318 4.340 0.000 0.000 0.219 1121 L C 2.376 179.335 176.870 0.149 0.000 1.134 1121 L CA 1.101 56.044 54.840 0.173 0.000 0.807 1121 L CB -0.702 41.458 42.059 0.169 0.000 0.927 1121 L HN 0.508 nan 8.230 nan 0.000 0.447 1122 H N -1.873 117.136 119.070 -0.101 0.000 2.551 1122 H HA 0.020 4.576 4.556 0.000 0.000 0.266 1122 H C 1.324 176.279 175.328 -0.623 0.000 0.977 1122 H CA 0.598 56.431 56.048 -0.357 0.000 1.163 1122 H CB 0.426 29.911 29.762 -0.461 0.000 1.381 1122 H HN 0.352 nan 8.280 nan 0.000 0.581 1123 F N -0.268 119.696 119.950 0.024 0.000 2.667 1123 F HA 0.433 4.960 4.527 0.001 0.000 0.288 1123 F C 0.834 176.534 175.800 -0.167 0.000 1.086 1123 F CA -0.001 57.952 58.000 -0.078 0.000 1.297 1123 F CB 1.063 40.000 39.000 -0.104 0.000 1.059 1123 F HN -0.041 nan 8.300 nan 0.000 0.624 1124 A N 0.393 123.219 122.820 0.011 0.000 2.589 1124 A HA 0.597 4.917 4.320 0.000 0.000 0.296 1124 A C -2.810 174.788 177.584 0.023 0.000 1.062 1124 A CA -1.366 50.609 52.037 -0.103 0.000 0.686 1124 A CB 0.611 19.341 19.000 -0.450 0.000 1.282 1124 A HN -0.179 nan 8.150 nan 0.000 0.404 1125 P HA 0.116 nan 4.420 nan 0.000 0.271 1125 P C 0.852 178.230 177.300 0.130 0.000 1.233 1125 P CA -0.221 62.927 63.100 0.080 0.000 0.789 1125 P CB 0.451 32.195 31.700 0.074 0.000 0.951 1126 M N 1.311 120.975 119.600 0.108 0.000 2.267 1126 M HA -0.185 4.296 4.480 0.000 0.000 0.263 1126 M C 1.497 177.872 176.300 0.126 0.000 1.063 1126 M CA 1.911 57.279 55.300 0.114 0.000 1.090 1126 M CB -1.304 31.348 32.600 0.088 0.000 1.392 1126 M HN 0.305 nan 8.290 nan 0.000 0.422 1127 E N -0.869 119.404 120.200 0.121 0.000 2.209 1127 E HA -0.103 4.247 4.350 0.000 0.000 0.196 1127 E C 0.268 176.941 176.600 0.121 0.000 0.993 1127 E CA 0.619 57.081 56.400 0.102 0.000 0.819 1127 E CB -0.457 29.296 29.700 0.087 0.000 0.745 1127 E HN 0.486 nan 8.360 nan 0.000 0.477 1128 F N 2.255 122.225 119.950 0.033 0.000 2.484 1128 F HA 0.154 4.681 4.527 0.001 0.000 0.360 1128 F C -1.977 173.839 175.800 0.028 0.000 1.101 1128 F CA -2.802 55.217 58.000 0.032 0.000 1.251 1128 F CB 0.575 39.600 39.000 0.042 0.000 1.132 1128 F HN -0.124 nan 8.300 nan 0.000 0.570 1129 P HA 0.160 nan 4.420 nan 0.000 0.281 1129 P C -1.222 176.121 177.300 0.072 0.000 1.252 1129 P CA -0.411 62.624 63.100 -0.107 0.000 0.778 1129 P CB 1.222 32.791 31.700 -0.219 0.000 0.895 1130 A N 3.990 126.870 122.820 0.100 0.000 3.048 1130 A HA 0.244 4.564 4.320 0.000 0.000 0.264 1130 A C 0.306 177.921 177.584 0.051 0.000 1.796 1130 A CA -0.266 51.834 52.037 0.104 0.000 1.445 1130 A CB -1.015 18.021 19.000 0.060 0.000 1.074 1130 A HN 0.470 nan 8.150 nan 0.000 0.621 1131 V N 1.660 121.608 119.914 0.056 0.000 2.532 1131 V HA 0.693 4.814 4.120 0.000 0.000 0.295 1131 V C 0.629 176.752 176.094 0.049 0.000 1.041 1131 V CA -0.232 62.084 62.300 0.027 0.000 0.926 1131 V CB 1.415 33.231 31.823 -0.013 0.000 0.992 1131 V HN 0.883 nan 8.190 nan 0.000 0.457 1132 A N 4.241 127.087 122.820 0.042 0.000 2.351 1132 A HA 0.392 4.712 4.320 0.000 0.000 0.257 1132 A C 0.067 177.695 177.584 0.073 0.000 1.087 1132 A CA -0.209 51.857 52.037 0.049 0.000 0.798 1132 A CB 0.165 19.184 19.000 0.032 0.000 1.033 1132 A HN 1.039 nan 8.150 nan 0.000 0.488 1133 D N 0.392 120.838 120.400 0.077 0.000 2.455 1133 D HA 0.074 4.714 4.640 0.000 0.000 0.241 1133 D C 0.696 177.065 176.300 0.115 0.000 1.138 1133 D CA 0.044 54.106 54.000 0.103 0.000 0.877 1133 D CB 0.149 41.002 40.800 0.089 0.000 1.187 1133 D HN 0.392 nan 8.370 nan 0.000 0.451 1134 F N 4.132 124.090 119.950 0.014 0.000 2.102 1134 F HA -0.117 4.410 4.527 -0.000 0.000 0.298 1134 F C 2.052 177.857 175.800 0.008 0.000 1.105 1134 F CA 1.816 59.821 58.000 0.008 0.000 1.239 1134 F CB -0.483 38.520 39.000 0.005 0.000 0.991 1134 F HN 0.495 nan 8.300 nan 0.000 0.474 1135 A N -0.426 122.382 122.820 -0.020 0.000 1.908 1135 A HA -0.222 4.098 4.320 0.000 0.000 0.218 1135 A C 2.375 179.867 177.584 -0.153 0.000 1.181 1135 A CA 1.852 53.815 52.037 -0.123 0.000 0.627 1135 A CB -1.682 17.330 19.000 0.021 0.000 0.818 1135 A HN 0.585 nan 8.150 nan 0.000 0.445 1136 C N -1.088 118.167 119.300 -0.075 0.000 2.432 1136 C HA -0.088 4.373 4.460 0.000 0.000 0.277 1136 C C 3.056 177.987 174.990 -0.098 0.000 1.249 1136 C CA 1.553 60.535 59.018 -0.060 0.000 1.725 1136 C CB -1.569 26.168 27.740 -0.006 0.000 2.028 1136 C HN 0.656 nan 8.230 nan 0.000 0.477 1137 T N 0.615 115.096 114.554 -0.122 0.000 2.708 1137 T HA -0.168 4.183 4.350 0.000 0.000 0.266 1137 T C 1.783 176.362 174.700 -0.202 0.000 1.037 1137 T CA 2.164 64.186 62.100 -0.130 0.000 1.146 1137 T CB -0.606 68.207 68.868 -0.092 0.000 0.865 1137 T HN 0.600 nan 8.240 nan 0.000 0.435 1138 T N 2.158 116.490 114.554 -0.370 0.000 2.684 1138 T HA -0.111 4.239 4.350 0.000 0.000 0.267 1138 T C 2.407 176.985 174.700 -0.204 0.000 1.036 1138 T CA 1.350 63.227 62.100 -0.373 0.000 1.148 1138 T CB -0.651 67.860 68.868 -0.595 0.000 0.863 1138 T HN 0.457 nan 8.240 nan 0.000 0.436 1139 A N 0.967 123.686 122.820 -0.168 0.000 1.933 1139 A HA 0.003 4.323 4.320 0.000 0.000 0.218 1139 A C 2.324 179.856 177.584 -0.086 0.000 1.175 1139 A CA 1.245 53.218 52.037 -0.106 0.000 0.628 1139 A CB -0.816 18.134 19.000 -0.083 0.000 0.814 1139 A HN 0.484 nan 8.150 nan 0.000 0.444 1140 L N -0.783 120.389 121.223 -0.084 0.000 2.027 1140 L HA -0.140 4.200 4.340 0.000 0.000 0.206 1140 L C 2.536 179.367 176.870 -0.065 0.000 1.074 1140 L CA 1.006 55.808 54.840 -0.065 0.000 0.745 1140 L CB -0.582 41.446 42.059 -0.051 0.000 0.898 1140 L HN 0.234 nan 8.230 nan 0.000 0.433 1141 V N -0.077 119.792 119.914 -0.076 0.000 2.295 1141 V HA -0.282 3.838 4.120 0.000 0.000 0.246 1141 V C 2.387 178.443 176.094 -0.063 0.000 1.049 1141 V CA 1.887 64.147 62.300 -0.066 0.000 1.024 1141 V CB -0.485 31.296 31.823 -0.071 0.000 0.648 1141 V HN 0.453 nan 8.190 nan 0.000 0.447 1142 E N 0.218 120.375 120.200 -0.072 0.000 2.077 1142 E HA -0.183 4.167 4.350 0.000 0.000 0.193 1142 E C 2.322 178.887 176.600 -0.058 0.000 0.989 1142 E CA 1.286 57.649 56.400 -0.061 0.000 0.800 1142 E CB -0.357 29.304 29.700 -0.064 0.000 0.746 1142 E HN 0.596 nan 8.360 nan 0.000 0.452 1143 A N 1.469 124.252 122.820 -0.063 0.000 1.933 1143 A HA -0.114 4.206 4.320 0.000 0.000 0.218 1143 A C 2.389 179.928 177.584 -0.075 0.000 1.175 1143 A CA 1.603 53.601 52.037 -0.065 0.000 0.628 1143 A CB -0.601 18.360 19.000 -0.064 0.000 0.814 1143 A HN 0.293 nan 8.150 nan 0.000 0.444 1144 A N -0.202 122.576 122.820 -0.070 0.000 1.933 1144 A HA -0.173 4.147 4.320 0.000 0.000 0.218 1144 A C 2.102 179.646 177.584 -0.066 0.000 1.175 1144 A CA 1.869 53.862 52.037 -0.073 0.000 0.628 1144 A CB -0.392 18.575 19.000 -0.055 0.000 0.814 1144 A HN 0.555 nan 8.150 nan 0.000 0.444 1145 K N -0.190 120.178 120.400 -0.054 0.000 2.097 1145 K HA -0.040 4.281 4.320 0.000 0.000 0.205 1145 K C 2.281 178.855 176.600 -0.044 0.000 1.050 1145 K CA 1.352 57.613 56.287 -0.043 0.000 0.938 1145 K CB -0.126 32.352 32.500 -0.036 0.000 0.718 1145 K HN 0.426 nan 8.250 nan 0.000 0.442 1146 S N 0.917 116.586 115.700 -0.052 0.000 2.383 1146 S HA -0.062 4.409 4.470 0.000 0.000 0.227 1146 S C 1.784 176.346 174.600 -0.062 0.000 1.026 1146 S CA 0.838 59.008 58.200 -0.050 0.000 0.981 1146 S CB -0.053 63.117 63.200 -0.051 0.000 0.818 1146 S HN 0.155 nan 8.310 nan 0.000 0.472 1147 I N 0.145 120.659 120.570 -0.093 0.000 2.480 1147 I HA 0.111 4.281 4.170 0.000 0.000 0.251 1147 I C 1.985 178.037 176.117 -0.108 0.000 1.124 1147 I CA 1.252 62.465 61.300 -0.145 0.000 1.444 1147 I CB -1.489 36.356 38.000 -0.259 0.000 1.098 1147 I HN 0.461 nan 8.210 nan 0.000 0.428 1148 G N 0.568 109.331 108.800 -0.061 0.000 2.148 1148 G HA2 -0.078 3.883 3.960 0.000 0.000 0.157 1148 G HA3 -0.078 3.883 3.960 0.000 0.000 0.157 1148 G C 0.480 175.423 174.900 0.072 0.000 1.012 1148 G CA 0.016 45.122 45.100 0.010 0.000 0.677 1148 G HN 0.644 nan 8.290 nan 0.000 0.506 1149 A N 0.155 123.010 122.820 0.059 0.000 2.386 1149 A HA 0.694 5.014 4.320 0.000 0.000 0.248 1149 A C 0.803 178.405 177.584 0.030 0.000 1.082 1149 A CA 0.890 53.007 52.037 0.133 0.000 0.789 1149 A CB 0.342 19.417 19.000 0.125 0.000 1.025 1149 A HN 0.781 nan 8.150 nan 0.000 0.490 1150 T N 2.604 117.164 114.554 0.011 0.000 2.737 1150 T HA 0.426 4.777 4.350 0.000 0.000 0.296 1150 T C 0.017 174.614 174.700 -0.173 0.000 0.922 1150 T CA 0.430 62.480 62.100 -0.083 0.000 1.079 1150 T CB 0.011 68.844 68.868 -0.059 0.000 0.892 1150 T HN 0.618 nan 8.240 nan 0.000 0.514 1151 T N 4.658 119.053 114.554 -0.265 0.000 2.829 1151 T HA 0.401 4.751 4.350 0.000 0.000 0.280 1151 T C -0.536 173.905 174.700 -0.433 0.000 0.999 1151 T CA -0.809 61.145 62.100 -0.243 0.000 0.983 1151 T CB 0.845 69.649 68.868 -0.107 0.000 0.968 1151 T HN 0.534 nan 8.240 nan 0.000 0.446 1152 H N 0.998 120.072 119.070 0.008 0.000 2.538 1152 H HA 0.589 5.145 4.556 0.000 0.000 0.353 1152 H C -0.987 174.346 175.328 0.008 0.000 1.109 1152 H CA -0.618 55.440 56.048 0.016 0.000 1.192 1152 H CB 1.896 31.657 29.762 -0.001 0.000 1.555 1152 H HN 0.270 nan 8.280 nan 0.000 0.518 1153 V N 2.194 122.182 119.914 0.123 0.000 2.444 1153 V HA 0.681 4.801 4.120 0.000 0.000 0.294 1153 V C 0.481 176.614 176.094 0.065 0.000 1.022 1153 V CA -0.194 62.146 62.300 0.066 0.000 0.850 1153 V CB 1.316 33.162 31.823 0.037 0.000 0.992 1153 V HN 1.113 nan 8.190 nan 0.000 0.426 1154 G N 3.411 112.236 108.800 0.042 0.000 2.441 1154 G HA2 0.390 4.350 3.960 0.000 0.000 0.225 1154 G HA3 0.390 4.350 3.960 0.000 0.000 0.225 1154 G C -1.457 173.443 174.900 0.000 0.000 1.200 1154 G CA -0.356 44.760 45.100 0.027 0.000 0.947 1154 G HN 0.491 nan 8.290 nan 0.000 0.484 1155 V N 0.953 120.858 119.914 -0.016 0.000 2.509 1155 V HA 0.662 4.782 4.120 0.000 0.000 0.284 1155 V C 0.188 176.228 176.094 -0.090 0.000 1.047 1155 V CA -0.108 62.162 62.300 -0.050 0.000 0.952 1155 V CB 1.354 33.146 31.823 -0.050 0.000 0.988 1155 V HN 0.758 nan 8.190 nan 0.000 0.469 1156 T N 3.579 118.065 114.554 -0.113 0.000 2.856 1156 T HA 0.651 5.001 4.350 0.000 0.000 0.283 1156 T C -0.099 174.466 174.700 -0.224 0.000 1.008 1156 T CA -0.302 61.708 62.100 -0.150 0.000 0.997 1156 T CB 1.650 70.463 68.868 -0.091 0.000 0.992 1156 T HN 0.895 nan 8.240 nan 0.000 0.454 1157 A N 2.228 124.853 122.820 -0.325 0.000 2.269 1157 A HA 0.613 4.933 4.320 0.000 0.000 0.302 1157 A C 0.368 177.875 177.584 -0.128 0.000 1.266 1157 A CA -0.449 51.355 52.037 -0.389 0.000 0.894 1157 A CB 0.365 18.931 19.000 -0.724 0.000 1.147 1157 A HN 0.631 nan 8.150 nan 0.000 0.537 1158 S N 2.197 117.839 115.700 -0.098 0.000 2.461 1158 S HA 0.501 4.971 4.470 0.000 0.000 0.322 1158 S C -0.053 174.549 174.600 0.003 0.000 1.063 1158 S CA -0.322 57.863 58.200 -0.025 0.000 1.120 1158 S CB 0.289 63.470 63.200 -0.031 0.000 0.968 1158 S HN 0.934 nan 8.310 nan 0.000 0.467 1159 S N 3.301 119.006 115.700 0.009 0.000 2.509 1159 S HA 0.349 4.819 4.470 0.000 0.000 0.297 1159 S C 0.468 175.045 174.600 -0.038 0.000 1.118 1159 S CA -0.633 57.549 58.200 -0.030 0.000 1.074 1159 S CB 1.130 64.246 63.200 -0.140 0.000 1.038 1159 S HN 0.712 nan 8.310 nan 0.000 0.498 1160 D N 2.034 122.420 120.400 -0.023 0.000 2.371 1160 D HA 0.089 4.729 4.640 0.000 0.000 0.221 1160 D C 0.750 177.034 176.300 -0.027 0.000 0.986 1160 D CA 0.856 54.850 54.000 -0.010 0.000 0.899 1160 D CB 0.155 40.968 40.800 0.020 0.000 0.902 1160 D HN 0.715 nan 8.370 nan 0.000 0.530 1161 T N -4.043 110.459 114.554 -0.087 0.000 2.906 1161 T HA 0.291 4.641 4.350 0.000 0.000 0.295 1161 T C 0.527 175.159 174.700 -0.113 0.000 1.061 1161 T CA -0.889 61.173 62.100 -0.064 0.000 1.000 1161 T CB 1.232 70.054 68.868 -0.076 0.000 1.103 1161 T HN -0.123 nan 8.240 nan 0.000 0.486 1162 F N 0.199 120.015 119.950 -0.224 0.000 2.335 1162 F HA 0.172 4.699 4.527 0.000 0.000 0.296 1162 F C 1.016 176.479 175.800 -0.561 0.000 1.091 1162 F CA 0.822 58.570 58.000 -0.420 0.000 1.399 1162 F CB -0.034 38.653 39.000 -0.522 0.000 1.067 1162 F HN 0.693 nan 8.300 nan 0.000 0.520 1163 Y N 0.422 120.672 120.300 -0.084 0.000 2.344 1163 Y HA 0.145 4.696 4.550 0.001 0.000 0.261 1163 Y C -0.529 175.190 175.900 -0.301 0.000 1.080 1163 Y CA 0.348 58.356 58.100 -0.153 0.000 1.151 1163 Y CB -1.856 36.603 38.460 -0.002 0.000 1.059 1163 Y HN -0.221 nan 8.280 nan 0.000 0.490 1164 P HA -0.050 nan 4.420 nan 0.000 0.219 1164 P C 1.454 178.453 177.300 -0.502 0.000 1.150 1164 P CA 2.022 64.980 63.100 -0.237 0.000 0.814 1164 P CB -0.170 31.463 31.700 -0.112 0.000 0.787 1165 G N 0.090 108.462 108.800 -0.713 0.000 2.509 1165 G HA2 -0.188 3.772 3.960 0.000 0.000 0.218 1165 G HA3 -0.188 3.772 3.960 0.000 0.000 0.218 1165 G C 1.316 175.714 174.900 -0.836 0.000 1.124 1165 G CA 0.259 44.614 45.100 -1.241 0.000 0.776 1165 G HN 0.366 nan 8.290 nan 0.000 0.547 1166 Q N -0.415 118.904 119.800 -0.802 0.000 2.189 1166 Q HA 0.202 4.542 4.340 0.000 0.000 0.221 1166 Q C -0.031 175.595 176.000 -0.623 0.000 0.848 1166 Q CA -0.300 54.779 55.803 -1.206 0.000 1.007 1166 Q CB 0.437 28.376 28.738 -1.330 0.000 1.116 1166 Q HN 0.578 nan 8.270 nan 0.000 0.481 1167 E N 1.795 121.766 120.200 -0.381 0.000 2.199 1167 E HA -0.243 4.107 4.350 0.000 0.000 0.208 1167 E C -0.903 175.500 176.600 -0.327 0.000 1.310 1167 E CA 0.182 56.412 56.400 -0.284 0.000 0.709 1167 E CB -0.319 29.359 29.700 -0.037 0.000 1.127 1167 E HN 0.344 nan 8.360 nan 0.000 0.354 1168 R N 0.160 120.463 120.500 -0.329 0.000 2.297 1168 R HA 0.189 4.529 4.340 0.000 0.000 0.308 1168 R C 0.287 176.460 176.300 -0.212 0.000 1.029 1168 R CA -0.146 55.859 56.100 -0.159 0.000 0.929 1168 R CB 0.500 30.782 30.300 -0.030 0.000 1.046 1168 R HN 0.232 nan 8.270 nan 0.000 0.461 1169 Y N 0.160 120.494 120.300 0.056 0.000 2.442 1169 Y HA -0.013 4.537 4.550 0.000 0.000 0.250 1169 Y C 0.790 176.715 175.900 0.042 0.000 1.113 1169 Y CA -0.226 57.900 58.100 0.042 0.000 1.273 1169 Y CB 0.555 39.031 38.460 0.026 0.000 1.138 1169 Y HN 0.555 nan 8.280 nan 0.000 0.522 1170 D N 1.649 122.164 120.400 0.193 0.000 2.885 1170 D HA 0.008 4.648 4.640 0.000 0.000 0.234 1170 D C 0.161 176.515 176.300 0.090 0.000 1.129 1170 D CA 0.340 54.424 54.000 0.140 0.000 0.991 1170 D CB -0.463 40.428 40.800 0.151 0.000 1.137 1170 D HN 0.232 nan 8.370 nan 0.000 0.459 1171 T N -3.999 110.578 114.554 0.039 0.000 2.864 1171 T HA 0.200 4.550 4.350 0.000 0.000 0.289 1171 T C 0.883 175.579 174.700 -0.006 0.000 1.082 1171 T CA -0.996 61.072 62.100 -0.052 0.000 1.009 1171 T CB 1.329 70.147 68.868 -0.085 0.000 1.234 1171 T HN 0.099 nan 8.240 nan 0.000 0.526 1172 Y N 1.574 121.804 120.300 -0.117 0.000 2.114 1172 Y HA -0.212 4.338 4.550 0.000 0.000 0.282 1172 Y C 2.709 178.589 175.900 -0.033 0.000 1.165 1172 Y CA 2.764 60.822 58.100 -0.071 0.000 1.148 1172 Y CB -0.310 38.100 38.460 -0.083 0.000 0.972 1172 Y HN 0.759 nan 8.280 nan 0.000 0.504 1173 S N -1.015 114.572 115.700 -0.188 0.000 2.458 1173 S HA 0.144 4.614 4.470 0.000 0.000 0.223 1173 S C 1.827 176.359 174.600 -0.112 0.000 1.019 1173 S CA 0.567 58.628 58.200 -0.232 0.000 0.937 1173 S CB -0.434 62.733 63.200 -0.055 0.000 0.788 1173 S HN 1.006 nan 8.310 nan 0.000 0.511 1174 G N 2.129 110.912 108.800 -0.030 0.000 2.187 1174 G HA2 -0.336 3.624 3.960 0.000 0.000 0.261 1174 G HA3 -0.336 3.624 3.960 0.000 0.000 0.261 1174 G C 0.021 175.018 174.900 0.161 0.000 1.000 1174 G CA 0.603 45.744 45.100 0.068 0.000 0.718 1174 G HN 1.037 nan 8.290 nan 0.000 0.519 1175 R N -1.556 119.005 120.500 0.103 0.000 2.803 1175 R HA 0.818 5.158 4.340 0.000 0.000 0.276 1175 R C -1.084 175.256 176.300 0.067 0.000 0.978 1175 R CA -1.052 55.130 56.100 0.138 0.000 0.939 1175 R CB 2.256 32.604 30.300 0.080 0.000 1.179 1175 R HN 0.230 nan 8.270 nan 0.000 0.472 1176 V N 2.928 122.897 119.914 0.091 0.000 2.531 1176 V HA 0.245 4.366 4.120 0.000 0.000 0.301 1176 V C -0.025 176.131 176.094 0.103 0.000 1.034 1176 V CA -1.029 61.275 62.300 0.007 0.000 0.865 1176 V CB 1.801 33.503 31.823 -0.201 0.000 0.995 1176 V HN 0.704 nan 8.190 nan 0.000 0.424 1177 V N 5.962 125.950 119.914 0.123 0.000 3.032 1177 V HA 0.029 4.150 4.120 0.000 0.000 0.307 1177 V C 1.873 178.031 176.094 0.107 0.000 1.097 1177 V CA 0.824 63.197 62.300 0.123 0.000 1.191 1177 V CB 0.882 32.793 31.823 0.146 0.000 0.964 1177 V HN 0.981 nan 8.190 nan 0.000 0.494 1178 R N 3.494 124.027 120.500 0.055 0.000 2.113 1178 R HA -0.227 4.113 4.340 0.000 0.000 0.244 1178 R C 2.312 178.591 176.300 -0.035 0.000 1.142 1178 R CA 2.547 58.658 56.100 0.018 0.000 0.953 1178 R CB -0.366 29.934 30.300 0.001 0.000 0.860 1178 R HN 0.829 nan 8.270 nan 0.000 0.438 1179 R N -0.640 119.795 120.500 -0.107 0.000 2.117 1179 R HA -0.180 4.161 4.340 0.000 0.000 0.243 1179 R C 1.393 177.425 176.300 -0.446 0.000 1.143 1179 R CA 2.065 57.971 56.100 -0.324 0.000 0.968 1179 R CB -0.197 29.805 30.300 -0.496 0.000 0.863 1179 R HN 0.321 nan 8.270 nan 0.000 0.444 1180 F N 0.236 120.201 119.950 0.026 0.000 2.721 1180 F HA 0.262 4.790 4.527 0.000 0.000 0.301 1180 F C 0.583 176.383 175.800 -0.001 0.000 1.096 1180 F CA -0.382 57.630 58.000 0.021 0.000 1.308 1180 F CB 0.392 39.405 39.000 0.023 0.000 1.086 1180 F HN -0.293 nan 8.300 nan 0.000 0.587 1181 K N 1.039 121.522 120.400 0.139 0.000 2.447 1181 K HA 0.126 4.446 4.320 0.000 0.000 0.281 1181 K C 1.160 177.804 176.600 0.072 0.000 1.031 1181 K CA 0.937 57.306 56.287 0.137 0.000 1.019 1181 K CB 0.274 32.841 32.500 0.112 0.000 0.918 1181 K HN 0.419 nan 8.250 nan 0.000 0.476 1182 G N 2.132 110.993 108.800 0.100 0.000 2.166 1182 G HA2 -0.353 3.607 3.960 0.000 0.000 0.260 1182 G HA3 -0.353 3.607 3.960 0.000 0.000 0.260 1182 G C 0.922 175.784 174.900 -0.065 0.000 0.986 1182 G CA 1.008 46.123 45.100 0.025 0.000 0.683 1182 G HN 0.693 nan 8.290 nan 0.000 0.527 1183 S N -0.793 114.875 115.700 -0.053 0.000 2.387 1183 S HA 0.041 4.511 4.470 0.000 0.000 0.226 1183 S C 2.263 176.664 174.600 -0.332 0.000 1.026 1183 S CA 1.580 59.616 58.200 -0.273 0.000 0.972 1183 S CB -0.277 62.926 63.200 0.005 0.000 0.814 1183 S HN 0.673 nan 8.310 nan 0.000 0.477 1184 M N 1.653 121.293 119.600 0.067 0.000 2.108 1184 M HA -0.136 4.344 4.480 0.000 0.000 0.261 1184 M C 2.377 178.719 176.300 0.071 0.000 1.066 1184 M CA 2.157 57.589 55.300 0.219 0.000 1.107 1184 M CB -0.294 32.485 32.600 0.298 0.000 1.356 1184 M HN 0.545 nan 8.290 nan 0.000 0.406 1185 E N 0.053 120.259 120.200 0.009 0.000 2.077 1185 E HA -0.253 4.097 4.350 0.000 0.000 0.193 1185 E C 1.652 178.215 176.600 -0.061 0.000 0.989 1185 E CA 1.824 58.218 56.400 -0.010 0.000 0.800 1185 E CB -0.050 29.643 29.700 -0.012 0.000 0.746 1185 E HN 0.654 nan 8.360 nan 0.000 0.452 1186 E N -0.179 119.908 120.200 -0.190 0.000 2.031 1186 E HA -0.197 4.153 4.350 0.000 0.000 0.193 1186 E C 1.855 178.382 176.600 -0.122 0.000 0.994 1186 E CA 1.677 57.921 56.400 -0.260 0.000 0.800 1186 E CB -0.290 29.102 29.700 -0.512 0.000 0.752 1186 E HN 0.475 nan 8.360 nan 0.000 0.447 1187 W N 1.307 122.616 121.300 0.014 0.000 2.338 1187 W HA -0.200 4.460 4.660 0.000 0.000 0.304 1187 W C 2.511 178.999 176.519 -0.051 0.000 1.212 1187 W CA 0.310 57.636 57.345 -0.033 0.000 1.264 1187 W CB -0.215 29.188 29.460 -0.095 0.000 1.142 1187 W HN 0.124 nan 8.180 nan 0.000 0.512 1188 Q N 0.468 120.365 119.800 0.161 0.000 2.030 1188 Q HA -0.217 4.123 4.340 0.000 0.000 0.204 1188 Q C 2.525 178.566 176.000 0.068 0.000 0.986 1188 Q CA 1.934 57.787 55.803 0.083 0.000 0.843 1188 Q CB -0.702 28.070 28.738 0.057 0.000 0.904 1188 Q HN 0.339 nan 8.270 nan 0.000 0.420 1189 A N 0.572 123.423 122.820 0.051 0.000 1.972 1189 A HA -0.139 4.181 4.320 0.000 0.000 0.219 1189 A C 1.849 179.465 177.584 0.053 0.000 1.169 1189 A CA 1.269 53.328 52.037 0.036 0.000 0.635 1189 A CB -0.394 18.612 19.000 0.011 0.000 0.810 1189 A HN 0.324 nan 8.150 nan 0.000 0.446 1190 M N -1.080 118.576 119.600 0.092 0.000 2.628 1190 M HA 0.175 4.655 4.480 0.000 0.000 0.232 1190 M C 1.293 177.645 176.300 0.087 0.000 1.128 1190 M CA 0.690 56.054 55.300 0.108 0.000 1.040 1190 M CB 0.110 32.823 32.600 0.189 0.000 1.608 1190 M HN 0.599 nan 8.290 nan 0.000 0.507 1191 G N 0.759 109.602 108.800 0.072 0.000 2.148 1191 G HA2 -0.214 3.746 3.960 0.000 0.000 0.254 1191 G HA3 -0.214 3.746 3.960 0.000 0.000 0.254 1191 G C 0.088 175.008 174.900 0.033 0.000 0.981 1191 G CA -0.143 44.988 45.100 0.053 0.000 0.670 1191 G HN 0.337 nan 8.290 nan 0.000 0.528 1192 V N 1.620 121.554 119.914 0.032 0.000 2.599 1192 V HA 0.156 4.276 4.120 0.000 0.000 0.300 1192 V C 1.879 177.925 176.094 -0.079 0.000 1.034 1192 V CA 1.139 63.412 62.300 -0.045 0.000 1.115 1192 V CB 1.131 32.901 31.823 -0.088 0.000 0.934 1192 V HN 0.409 nan 8.190 nan 0.000 0.485 1193 M N 3.239 122.777 119.600 -0.102 0.000 2.236 1193 M HA 0.081 4.561 4.480 0.000 0.000 0.266 1193 M C 0.705 176.914 176.300 -0.151 0.000 1.070 1193 M CA 1.130 56.361 55.300 -0.115 0.000 1.137 1193 M CB -0.022 32.525 32.600 -0.088 0.000 1.378 1193 M HN 0.967 nan 8.290 nan 0.000 0.426 1194 N N -1.809 116.776 118.700 -0.193 0.000 3.046 1194 N HA 0.159 4.899 4.740 0.000 0.000 0.243 1194 N C -1.983 173.361 175.510 -0.275 0.000 1.452 1194 N CA -0.666 52.272 53.050 -0.186 0.000 0.882 1194 N CB 1.155 39.589 38.487 -0.088 0.000 1.425 1194 N HN -0.097 nan 8.380 nan 0.000 0.517 1195 Y N -0.236 120.009 120.300 -0.092 0.000 2.387 1195 Y HA 0.488 5.039 4.550 0.001 0.000 0.336 1195 Y C 0.416 176.255 175.900 -0.102 0.000 1.067 1195 Y CA -0.108 57.920 58.100 -0.120 0.000 1.114 1195 Y CB 1.573 39.941 38.460 -0.154 0.000 1.208 1195 Y HN 0.794 nan 8.280 nan 0.000 0.458 1196 E N -0.102 120.151 120.200 0.089 0.000 2.310 1196 E HA 0.532 4.882 4.350 0.000 0.000 0.243 1196 E C -1.002 175.615 176.600 0.027 0.000 1.027 1196 E CA -0.736 55.690 56.400 0.044 0.000 0.887 1196 E CB 1.149 30.865 29.700 0.026 0.000 1.828 1196 E HN 0.455 nan 8.360 nan 0.000 0.456 1197 M N -0.661 118.951 119.600 0.020 0.000 2.327 1197 M HA 0.332 4.812 4.480 0.000 0.000 0.365 1197 M C -0.155 176.148 176.300 0.005 0.000 0.992 1197 M CA 0.206 55.513 55.300 0.011 0.000 0.985 1197 M CB 0.773 33.387 32.600 0.023 0.000 1.673 1197 M HN 0.484 nan 8.290 nan 0.000 0.586 1198 E N -0.576 119.625 120.200 0.002 0.000 2.467 1198 E HA 0.075 4.425 4.350 0.000 0.000 0.213 1198 E C 1.824 178.414 176.600 -0.018 0.000 0.823 1198 E CA 0.679 57.075 56.400 -0.006 0.000 1.233 1198 E CB 0.361 30.061 29.700 0.000 0.000 1.233 1198 E HN 0.305 nan 8.360 nan 0.000 0.585 1199 S N 0.881 116.572 115.700 -0.016 0.000 2.383 1199 S HA -0.070 4.400 4.470 0.000 0.000 0.227 1199 S C 2.233 176.818 174.600 -0.025 0.000 1.026 1199 S CA 0.908 59.095 58.200 -0.022 0.000 0.981 1199 S CB -0.292 62.897 63.200 -0.018 0.000 0.818 1199 S HN 0.222 nan 8.310 nan 0.000 0.472 1200 A N 1.934 124.743 122.820 -0.018 0.000 1.883 1200 A HA -0.082 4.238 4.320 0.000 0.000 0.217 1200 A C 2.453 180.033 177.584 -0.006 0.000 1.186 1200 A CA 2.316 54.351 52.037 -0.004 0.000 0.624 1200 A CB -1.762 17.241 19.000 0.005 0.000 0.822 1200 A HN 0.581 nan 8.150 nan 0.000 0.444 1201 T N -0.068 114.474 114.554 -0.020 0.000 2.701 1201 T HA -0.116 4.234 4.350 0.000 0.000 0.263 1201 T C 1.882 176.494 174.700 -0.147 0.000 1.040 1201 T CA 1.459 63.531 62.100 -0.047 0.000 1.147 1201 T CB -0.475 68.375 68.868 -0.029 0.000 0.865 1201 T HN 0.348 nan 8.240 nan 0.000 0.426 1202 L N 1.154 122.296 121.223 -0.134 0.000 1.990 1202 L HA -0.070 4.270 4.340 0.000 0.000 0.213 1202 L C 2.220 178.988 176.870 -0.170 0.000 1.072 1202 L CA 1.772 56.500 54.840 -0.187 0.000 0.755 1202 L CB -0.763 41.225 42.059 -0.118 0.000 0.889 1202 L HN 0.253 nan 8.230 nan 0.000 0.432 1203 L N -1.374 119.801 121.223 -0.081 0.000 2.056 1203 L HA -0.186 4.155 4.340 0.000 0.000 0.207 1203 L C 2.374 179.242 176.870 -0.005 0.000 1.078 1203 L CA 1.722 56.545 54.840 -0.028 0.000 0.749 1203 L CB -1.212 40.852 42.059 0.008 0.000 0.901 1203 L HN 0.325 nan 8.230 nan 0.000 0.433 1204 T N 0.717 115.267 114.554 -0.006 0.000 2.674 1204 T HA -0.232 4.118 4.350 0.000 0.000 0.265 1204 T C 1.857 176.466 174.700 -0.151 0.000 1.039 1204 T CA 1.976 64.093 62.100 0.029 0.000 1.150 1204 T CB -0.295 68.611 68.868 0.064 0.000 0.864 1204 T HN 0.448 nan 8.240 nan 0.000 0.427 1205 M N 0.288 119.663 119.600 -0.376 0.000 2.213 1205 M HA -0.019 4.462 4.480 0.000 0.000 0.263 1205 M C 2.178 178.211 176.300 -0.444 0.000 1.062 1205 M CA 1.489 56.330 55.300 -0.765 0.000 1.105 1205 M CB -1.035 30.628 32.600 -1.562 0.000 1.385 1205 M HN 0.192 nan 8.290 nan 0.000 0.417 1206 C N 1.225 120.353 119.300 -0.286 0.000 2.500 1206 C HA 0.215 4.675 4.460 0.000 0.000 0.279 1206 C C 3.277 178.253 174.990 -0.023 0.000 1.288 1206 C CA 0.884 59.815 59.018 -0.145 0.000 1.710 1206 C CB -1.064 26.616 27.740 -0.100 0.000 2.052 1206 C HN 0.761 nan 8.230 nan 0.000 0.488 1207 A N 1.135 123.980 122.820 0.042 0.000 2.019 1207 A HA -0.137 4.183 4.320 0.000 0.000 0.219 1207 A C 2.130 179.834 177.584 0.200 0.000 1.164 1207 A CA 2.154 54.296 52.037 0.175 0.000 0.644 1207 A CB -0.620 18.566 19.000 0.309 0.000 0.805 1207 A HN 0.715 nan 8.150 nan 0.000 0.449 1208 S N -1.952 113.738 115.700 -0.016 0.000 2.605 1208 S HA 0.182 4.652 4.470 0.000 0.000 0.217 1208 S C 0.874 175.435 174.600 -0.066 0.000 0.958 1208 S CA 0.270 58.359 58.200 -0.185 0.000 0.919 1208 S CB 0.084 62.929 63.200 -0.592 0.000 0.780 1208 S HN 0.631 nan 8.310 nan 0.000 0.507 1209 Q N 0.147 119.934 119.800 -0.022 0.000 2.057 1209 Q HA 0.327 4.667 4.340 0.000 0.000 0.216 1209 Q C 0.593 176.612 176.000 0.031 0.000 0.788 1209 Q CA 0.054 55.859 55.803 0.003 0.000 1.053 1209 Q CB 1.088 29.816 28.738 -0.017 0.000 1.210 1209 Q HN 0.627 nan 8.270 nan 0.000 0.455 1210 G N 1.489 110.319 108.800 0.049 0.000 2.176 1210 G HA2 -0.273 3.688 3.960 0.000 0.000 0.252 1210 G HA3 -0.273 3.688 3.960 0.000 0.000 0.252 1210 G C -0.109 174.836 174.900 0.074 0.000 1.024 1210 G CA 0.270 45.407 45.100 0.062 0.000 0.755 1210 G HN 0.260 nan 8.290 nan 0.000 0.507 1211 L N -0.594 120.678 121.223 0.081 0.000 2.331 1211 L HA 0.653 4.994 4.340 0.000 0.000 0.275 1211 L C 0.908 177.859 176.870 0.135 0.000 1.022 1211 L CA -1.165 53.756 54.840 0.135 0.000 0.812 1211 L CB 1.434 43.602 42.059 0.181 0.000 1.257 1211 L HN 0.051 nan 8.230 nan 0.000 0.435 1212 R N 1.731 122.327 120.500 0.160 0.000 2.297 1212 R HA 0.764 5.104 4.340 0.000 0.000 0.308 1212 R C -0.735 175.674 176.300 0.181 0.000 1.029 1212 R CA -0.494 55.685 56.100 0.132 0.000 0.929 1212 R CB 1.616 31.968 30.300 0.086 0.000 1.046 1212 R HN 0.711 nan 8.270 nan 0.000 0.461 1213 A N 1.487 124.384 122.820 0.127 0.000 2.486 1213 A HA 0.783 5.103 4.320 0.000 0.000 0.300 1213 A C -0.731 176.895 177.584 0.070 0.000 1.048 1213 A CA -0.642 51.469 52.037 0.124 0.000 0.696 1213 A CB 2.167 21.214 19.000 0.078 0.000 1.278 1213 A HN 0.767 nan 8.150 nan 0.000 0.405 1214 G N -0.050 108.787 108.800 0.061 0.000 2.605 1214 G HA2 0.673 4.633 3.960 0.000 0.000 0.296 1214 G HA3 0.673 4.633 3.960 0.000 0.000 0.296 1214 G C -1.051 173.865 174.900 0.026 0.000 1.304 1214 G CA -0.547 44.570 45.100 0.029 0.000 0.941 1214 G HN 1.057 nan 8.290 nan 0.000 0.475 1215 M N 1.529 121.135 119.600 0.011 0.000 2.324 1215 M HA 0.675 5.155 4.480 0.000 0.000 0.288 1215 M C -1.869 174.432 176.300 0.003 0.000 1.097 1215 M CA -0.782 54.524 55.300 0.010 0.000 0.928 1215 M CB 2.279 34.883 32.600 0.007 0.000 1.648 1215 M HN 0.579 nan 8.290 nan 0.000 0.460 1216 V N 4.105 124.022 119.914 0.004 0.000 2.823 1216 V HA 1.045 5.165 4.120 0.000 0.000 0.312 1216 V C -1.454 174.646 176.094 0.009 0.000 1.072 1216 V CA -0.070 62.231 62.300 0.003 0.000 0.937 1216 V CB 2.021 33.841 31.823 -0.005 0.000 1.013 1216 V HN 1.062 nan 8.190 nan 0.000 0.430 1217 A N 3.559 126.387 122.820 0.014 0.000 2.549 1217 A HA 0.883 5.203 4.320 0.000 0.000 0.297 1217 A C -0.295 177.305 177.584 0.028 0.000 1.061 1217 A CA -0.125 51.923 52.037 0.018 0.000 0.690 1217 A CB 1.782 20.791 19.000 0.015 0.000 1.287 1217 A HN 1.538 nan 8.150 nan 0.000 0.402 1218 G N -0.010 108.808 108.800 0.030 0.000 2.348 1218 G HA2 0.528 4.488 3.960 0.000 0.000 0.312 1218 G HA3 0.528 4.488 3.960 0.000 0.000 0.312 1218 G C -0.594 174.322 174.900 0.027 0.000 1.126 1218 G CA -0.361 44.762 45.100 0.038 0.000 0.865 1218 G HN 0.939 nan 8.290 nan 0.000 0.474 1219 V N 3.863 123.792 119.914 0.026 0.000 2.389 1219 V HA 0.127 4.247 4.120 0.000 0.000 0.264 1219 V C 1.276 177.375 176.094 0.008 0.000 1.049 1219 V CA -0.092 62.215 62.300 0.013 0.000 0.932 1219 V CB 0.524 32.351 31.823 0.006 0.000 1.011 1219 V HN 0.770 nan 8.190 nan 0.000 0.475 1220 I N 3.142 123.718 120.570 0.010 0.000 4.035 1220 I HA 0.456 4.626 4.170 0.000 0.000 0.321 1220 I C 0.376 176.499 176.117 0.011 0.000 1.289 1220 I CA 0.426 61.732 61.300 0.010 0.000 1.236 1220 I CB 0.904 38.913 38.000 0.015 0.000 1.076 1220 I HN 0.421 nan 8.210 nan 0.000 0.418 1221 V N 1.257 121.178 119.914 0.012 0.000 3.147 1221 V HA 0.495 4.615 4.120 0.000 0.000 0.306 1221 V C -1.754 174.342 176.094 0.003 0.000 1.209 1221 V CA -0.612 61.695 62.300 0.012 0.000 1.023 1221 V CB 2.467 34.305 31.823 0.025 0.000 1.059 1221 V HN 0.358 nan 8.190 nan 0.000 0.435 1222 N N 3.611 122.313 118.700 0.002 0.000 2.448 1222 N HA 0.399 5.139 4.740 0.000 0.000 0.279 1222 N C 0.609 176.124 175.510 0.010 0.000 1.025 1222 N CA -0.602 52.445 53.050 -0.004 0.000 0.898 1222 N CB 1.972 40.449 38.487 -0.016 0.000 1.303 1222 N HN 0.593 nan 8.380 nan 0.000 0.495 1223 R N 0.732 121.242 120.500 0.018 0.000 2.193 1223 R HA -0.071 4.270 4.340 0.000 0.000 0.229 1223 R C 1.455 177.777 176.300 0.035 0.000 1.110 1223 R CA 1.475 57.596 56.100 0.034 0.000 0.988 1223 R CB -0.598 29.738 30.300 0.061 0.000 0.871 1223 R HN 0.704 nan 8.270 nan 0.000 0.458 1224 T N -2.811 111.758 114.554 0.025 0.000 3.057 1224 T HA 0.073 4.424 4.350 0.000 0.000 0.254 1224 T C 0.842 175.555 174.700 0.021 0.000 1.094 1224 T CA 0.030 62.145 62.100 0.025 0.000 1.088 1224 T CB 0.357 69.237 68.868 0.021 0.000 0.934 1224 T HN 0.124 nan 8.240 nan 0.000 0.497 1225 Q N 0.593 120.403 119.800 0.016 0.000 2.214 1225 Q HA 0.384 4.724 4.340 0.000 0.000 0.251 1225 Q C 0.861 176.871 176.000 0.018 0.000 0.936 1225 Q CA -0.610 55.202 55.803 0.014 0.000 0.894 1225 Q CB 1.639 30.382 28.738 0.009 0.000 1.252 1225 Q HN 0.338 nan 8.270 nan 0.000 0.448 1226 Q N 0.592 120.402 119.800 0.017 0.000 2.137 1226 Q HA -0.049 4.291 4.340 0.000 0.000 0.198 1226 Q C -0.298 175.712 176.000 0.018 0.000 0.960 1226 Q CA 0.895 56.709 55.803 0.018 0.000 0.847 1226 Q CB 0.353 29.100 28.738 0.015 0.000 0.915 1226 Q HN 0.549 nan 8.270 nan 0.000 0.448 1227 E N 0.950 121.159 120.200 0.014 0.000 2.259 1227 E HA 0.302 4.652 4.350 0.000 0.000 0.281 1227 E C -0.598 176.010 176.600 0.014 0.000 1.027 1227 E CA -0.163 56.245 56.400 0.013 0.000 0.838 1227 E CB 1.179 30.885 29.700 0.010 0.000 1.066 1227 E HN 0.116 nan 8.360 nan 0.000 0.401 1233 T N 1.474 116.015 114.554 -0.020 0.000 2.845 1233 T HA 0.324 4.675 4.350 0.000 0.000 0.288 1233 T C 0.831 175.522 174.700 -0.015 0.000 0.980 1233 T CA -0.284 61.807 62.100 -0.015 0.000 1.071 1233 T CB 0.579 69.439 68.868 -0.014 0.000 0.941 1233 T HN 0.285 nan 8.240 nan 0.000 0.487 1234 M N 1.902 121.497 119.600 -0.008 0.000 2.374 1234 M HA -0.051 4.430 4.480 0.000 0.000 0.264 1234 M C 2.703 179.001 176.300 -0.004 0.000 1.067 1234 M CA 1.139 56.436 55.300 -0.005 0.000 1.103 1234 M CB -0.404 32.197 32.600 0.001 0.000 1.402 1234 M HN 0.745 nan 8.290 nan 0.000 0.444 1235 K N 0.303 120.700 120.400 -0.006 0.000 2.296 1235 K HA -0.101 4.220 4.320 0.000 0.000 0.200 1235 K C 1.568 178.167 176.600 -0.001 0.000 1.048 1235 K CA 1.214 57.498 56.287 -0.005 0.000 0.966 1235 K CB -0.756 nan 32.500 nan 0.000 0.754 1235 K HN 0.547 nan 8.250 nan 0.000 0.466 1236 Q N -0.112 119.683 119.800 -0.008 0.000 2.123 1236 Q HA -0.101 4.239 4.340 0.000 0.000 0.199 1236 Q C 1.898 177.890 176.000 -0.012 0.000 0.966 1236 Q CA 1.879 57.674 55.803 -0.013 0.000 0.845 1236 Q CB -0.013 28.703 28.738 -0.038 0.000 0.907 1236 Q HN 0.603 nan 8.270 nan 0.000 0.439 1237 T N 0.762 115.306 114.554 -0.017 0.000 2.896 1237 T HA -0.158 4.192 4.350 0.000 0.000 0.263 1237 T C 1.505 176.233 174.700 0.047 0.000 1.050 1237 T CA 1.246 63.346 62.100 -0.000 0.000 1.140 1237 T CB -0.172 68.690 68.868 -0.010 0.000 0.877 1237 T HN 0.498 nan 8.240 nan 0.000 0.457 1238 E N 1.545 121.761 120.200 0.028 0.000 2.049 1238 E HA -0.197 4.154 4.350 0.000 0.000 0.198 1238 E C 2.105 178.726 176.600 0.036 0.000 1.007 1238 E CA 1.786 58.201 56.400 0.024 0.000 0.809 1238 E CB -0.297 29.407 29.700 0.007 0.000 0.749 1238 E HN 0.343 nan 8.360 nan 0.000 0.450 1239 S N -0.442 115.284 115.700 0.043 0.000 2.402 1239 S HA -0.136 4.334 4.470 0.000 0.000 0.229 1239 S C 1.654 176.302 174.600 0.079 0.000 1.021 1239 S CA 1.137 59.363 58.200 0.044 0.000 0.974 1239 S CB -0.422 62.803 63.200 0.041 0.000 0.800 1239 S HN 0.397 nan 8.310 nan 0.000 0.484 1240 H N 1.765 120.825 119.070 -0.018 0.000 2.293 1240 H HA 0.097 4.654 4.556 0.000 0.000 0.300 1240 H C 2.278 177.595 175.328 -0.018 0.000 1.082 1240 H CA 1.578 57.615 56.048 -0.017 0.000 1.308 1240 H CB -0.596 29.158 29.762 -0.014 0.000 1.375 1240 H HN 0.350 nan 8.280 nan 0.000 0.495 1241 A N -0.236 122.637 122.820 0.088 0.000 1.902 1241 A HA -0.131 4.189 4.320 0.000 0.000 0.217 1241 A C 2.683 180.262 177.584 -0.009 0.000 1.181 1241 A CA 1.718 53.770 52.037 0.025 0.000 0.623 1241 A CB -0.892 18.129 19.000 0.035 0.000 0.818 1241 A HN 0.288 nan 8.150 nan 0.000 0.443 1242 V N 0.075 119.986 119.914 -0.006 0.000 2.343 1242 V HA -0.277 3.843 4.120 0.000 0.000 0.247 1242 V C 2.459 178.529 176.094 -0.040 0.000 1.051 1242 V CA 2.360 64.647 62.300 -0.022 0.000 1.036 1242 V CB -0.656 31.153 31.823 -0.024 0.000 0.654 1242 V HN 0.541 nan 8.190 nan 0.000 0.451 1243 K N -0.371 119.997 120.400 -0.053 0.000 2.103 1243 K HA -0.133 4.187 4.320 0.000 0.000 0.207 1243 K C 2.028 178.576 176.600 -0.086 0.000 1.048 1243 K CA 1.600 57.842 56.287 -0.076 0.000 0.930 1243 K CB -0.297 32.141 32.500 -0.104 0.000 0.716 1243 K HN 0.406 nan 8.250 nan 0.000 0.444 1244 I N 0.116 120.628 120.570 -0.097 0.000 2.252 1244 I HA -0.256 3.914 4.170 0.000 0.000 0.245 1244 I C 2.306 178.389 176.117 -0.058 0.000 1.102 1244 I CA 0.824 62.073 61.300 -0.086 0.000 1.385 1244 I CB -0.201 37.747 38.000 -0.086 0.000 1.064 1244 I HN -0.015 nan 8.210 nan 0.000 0.414 1245 V N 0.332 120.221 119.914 -0.043 0.000 2.407 1245 V HA -0.202 3.918 4.120 0.000 0.000 0.248 1245 V C 2.352 178.426 176.094 -0.033 0.000 1.055 1245 V CA 1.647 63.928 62.300 -0.031 0.000 1.049 1245 V CB 0.139 31.952 31.823 -0.018 0.000 0.662 1245 V HN 0.212 nan 8.190 nan 0.000 0.455 1246 V N 0.016 119.908 119.914 -0.037 0.000 2.307 1246 V HA -0.200 3.920 4.120 0.000 0.000 0.245 1246 V C 2.508 178.579 176.094 -0.038 0.000 1.045 1246 V CA 2.257 64.535 62.300 -0.036 0.000 1.024 1246 V CB -0.659 31.141 31.823 -0.038 0.000 0.651 1246 V HN 0.672 nan 8.190 nan 0.000 0.449 1247 E N 0.859 121.031 120.200 -0.047 0.000 2.110 1247 E HA -0.176 4.174 4.350 0.000 0.000 0.193 1247 E C 2.090 178.663 176.600 -0.046 0.000 0.988 1247 E CA 1.662 58.033 56.400 -0.048 0.000 0.804 1247 E CB -0.462 29.203 29.700 -0.059 0.000 0.745 1247 E HN 0.508 nan 8.360 nan 0.000 0.458 1248 A N 0.846 123.638 122.820 -0.047 0.000 1.902 1248 A HA -0.047 4.273 4.320 0.000 0.000 0.217 1248 A C 2.474 180.033 177.584 -0.042 0.000 1.181 1248 A CA 2.059 54.068 52.037 -0.048 0.000 0.623 1248 A CB -1.104 17.867 19.000 -0.047 0.000 0.818 1248 A HN 0.397 nan 8.150 nan 0.000 0.443 1249 A N 0.013 122.811 122.820 -0.037 0.000 1.940 1249 A HA -0.220 4.100 4.320 0.000 0.000 0.219 1249 A C 2.180 179.744 177.584 -0.033 0.000 1.176 1249 A CA 1.643 53.660 52.037 -0.034 0.000 0.631 1249 A CB -0.534 18.448 19.000 -0.031 0.000 0.814 1249 A HN 0.588 nan 8.150 nan 0.000 0.446 1250 R N -0.741 119.740 120.500 -0.032 0.000 2.139 1250 R HA -0.142 4.198 4.340 0.000 0.000 0.243 1250 R C 1.998 178.281 176.300 -0.028 0.000 1.145 1250 R CA 1.710 57.793 56.100 -0.028 0.000 0.976 1250 R CB -0.266 30.017 30.300 -0.028 0.000 0.866 1250 R HN 0.503 nan 8.270 nan 0.000 0.449 1251 R N 0.068 120.548 120.500 -0.032 0.000 2.310 1251 R HA 0.113 4.453 4.340 0.000 0.000 0.202 1251 R C 1.181 177.463 176.300 -0.030 0.000 0.933 1251 R CA 0.393 56.474 56.100 -0.032 0.000 1.054 1251 R CB 0.327 30.602 30.300 -0.040 0.000 0.985 1251 R HN 0.170 nan 8.270 nan 0.000 0.489 1252 L N 0.225 121.430 121.223 -0.031 0.000 2.808 1252 L HA 0.274 4.614 4.340 0.000 0.000 0.246 1252 L C 0.171 177.025 176.870 -0.027 0.000 1.153 1252 L CA -0.180 54.643 54.840 -0.029 0.000 0.956 1252 L CB 0.317 42.355 42.059 -0.033 0.000 1.270 1252 L HN 0.038 nan 8.230 nan 0.000 0.528 1253 L N 0.000 121.208 121.223 -0.026 0.000 2.949 1253 L HA 0.000 4.340 4.340 0.000 0.000 0.249 1253 L CA 0.000 54.825 54.840 -0.025 0.000 0.813 1253 L CB 0.000 42.045 42.059 -0.023 0.000 0.961 1253 L HN 0.000 nan 8.230 nan 0.000 0.502