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 1x15_1_A DATA FIRST_RESID 1001 DATA SEQUENCE GRIGIPRERL TNETRVAATP KTVEQLLKLG FTVAVESGAG QLASFDDKAF DATA SEQUENCE VQAGAEIVEG NSVWQSEIIL KVNAPLDDEI ALLNPGTTLV SFIWPAQNPE DATA SEQUENCE LMQKLAERNV TVMAMDSVPR ISRAQSLDAL SSMANIAGYR AIVEAAHEFG DATA SEQUENCE RFFTGQITAA GKVPPAKVMV IGAGVAGLAA IGAANSLGAI VRAFDTRPEV DATA SEQUENCE KEQVQSMGAE FLELDFXXXX XXGDGYAKVM SDAFIKAEME LFAAQAKEVD DATA SEQUENCE IIVTTALIPG KPAPKLITRE MVDSMKAGSV IVDLAAQNGG NCEYTVPGEI DATA SEQUENCE FTTENGVKVI GYTDLPGRLP TQSSQLYGTN LVNLLKLLCK EKDGNITVDF DATA SEQUENCE DDVVIRGVTV IRAGEITWPA PPIQVS 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 1001 G HA2 0.000 nan 3.960 nan 0.000 0.244 1001 G HA3 0.000 3.945 3.960 -0.024 0.000 0.244 1001 G C 0.000 175.033 174.900 0.221 0.000 0.946 1001 G CA 0.000 45.189 45.100 0.148 0.000 0.502 1002 R N 1.889 122.462 120.500 0.121 0.000 2.229 1002 R HA 0.645 4.971 4.340 -0.024 0.000 0.328 1002 R C -0.243 176.057 176.300 0.000 0.000 1.009 1002 R CA -0.656 55.482 56.100 0.063 0.000 0.864 1002 R CB 0.801 31.111 30.300 0.018 0.000 1.085 1002 R HN 0.345 nan 8.270 nan 0.000 0.453 1003 I N 3.149 123.685 120.570 -0.056 0.000 2.331 1003 I HA 0.318 4.474 4.170 -0.024 0.000 0.292 1003 I C 0.673 176.689 176.117 -0.169 0.000 0.998 1003 I CA -0.388 60.810 61.300 -0.170 0.000 1.267 1003 I CB 1.946 39.781 38.000 -0.275 0.000 1.386 1003 I HN 0.674 nan 8.210 nan 0.000 0.476 1004 G N 7.187 115.862 108.800 -0.209 0.000 2.415 1004 G HA2 0.645 4.591 3.960 -0.024 0.000 0.327 1004 G HA3 0.645 4.591 3.960 -0.024 0.000 0.327 1004 G C -0.628 174.083 174.900 -0.315 0.000 1.182 1004 G CA -0.371 44.575 45.100 -0.257 0.000 0.924 1004 G HN 0.377 nan 8.290 nan 0.000 0.470 1005 I N 3.183 123.563 120.570 -0.316 0.000 2.428 1005 I HA 0.280 4.435 4.170 -0.024 0.000 0.279 1005 I C -2.426 173.499 176.117 -0.320 0.000 1.040 1005 I CA -2.682 58.432 61.300 -0.309 0.000 1.171 1005 I CB 1.137 38.949 38.000 -0.314 0.000 1.312 1005 I HN 0.176 nan 8.210 nan 0.000 0.470 1006 P HA 0.273 nan 4.420 nan 0.000 0.276 1006 P C -0.053 177.172 177.300 -0.126 0.000 1.252 1006 P CA -0.680 62.248 63.100 -0.286 0.000 0.802 1006 P CB 0.841 32.293 31.700 -0.414 0.000 1.035 1007 R N 1.510 121.981 120.500 -0.049 0.000 2.537 1007 R HA 0.053 4.378 4.340 -0.024 0.000 0.280 1007 R C 0.056 176.385 176.300 0.049 0.000 1.058 1007 R CA -0.048 56.059 56.100 0.011 0.000 1.057 1007 R CB 0.181 30.500 30.300 0.033 0.000 0.973 1007 R HN 0.415 nan 8.270 nan 0.000 0.438 1008 E N 3.990 124.225 120.200 0.058 0.000 2.290 1008 E HA 0.012 4.347 4.350 -0.024 0.000 0.277 1008 E C 0.264 176.909 176.600 0.076 0.000 1.035 1008 E CA 0.168 56.613 56.400 0.075 0.000 0.873 1008 E CB 1.239 30.982 29.700 0.071 0.000 1.029 1008 E HN 0.565 nan 8.360 nan 0.000 0.419 1009 R N 1.560 122.115 120.500 0.091 0.000 2.308 1009 R HA 0.094 4.420 4.340 -0.024 0.000 0.202 1009 R C 0.479 176.815 176.300 0.060 0.000 0.898 1009 R CA -0.446 55.700 56.100 0.078 0.000 1.046 1009 R CB 0.248 30.606 30.300 0.096 0.000 1.026 1009 R HN 0.270 nan 8.270 nan 0.000 0.512 1010 L N 2.533 123.792 121.223 0.061 0.000 2.559 1010 L HA -0.018 4.308 4.340 -0.024 0.000 0.274 1010 L C -0.223 176.667 176.870 0.033 0.000 1.205 1010 L CA 1.028 55.895 54.840 0.045 0.000 0.907 1010 L CB 0.690 42.777 42.059 0.046 0.000 1.153 1010 L HN -0.008 nan 8.230 nan 0.000 0.490 1011 T N 5.963 120.531 114.554 0.024 0.000 2.946 1011 T HA 0.051 4.386 4.350 -0.024 0.000 0.311 1011 T C 0.944 175.651 174.700 0.012 0.000 1.063 1011 T CA 0.635 62.746 62.100 0.018 0.000 1.139 1011 T CB 0.043 68.919 68.868 0.014 0.000 0.994 1011 T HN 0.851 nan 8.240 nan 0.000 0.547 1012 N N -0.173 118.532 118.700 0.008 0.000 2.936 1012 N HA -0.146 4.580 4.740 -0.024 0.000 0.236 1012 N C -0.193 175.314 175.510 -0.004 0.000 0.930 1012 N CA 1.142 54.190 53.050 -0.003 0.000 0.966 1012 N CB -0.932 37.549 38.487 -0.010 0.000 1.090 1012 N HN 0.752 nan 8.380 nan 0.000 0.592 1013 E N 0.693 120.899 120.200 0.009 0.000 2.290 1013 E HA 0.310 4.645 4.350 -0.024 0.000 0.277 1013 E C 1.163 177.775 176.600 0.020 0.000 1.035 1013 E CA 0.625 57.034 56.400 0.014 0.000 0.873 1013 E CB 0.572 30.290 29.700 0.030 0.000 1.029 1013 E HN 0.318 nan 8.360 nan 0.000 0.419 1014 T N 1.207 115.770 114.554 0.015 0.000 3.001 1014 T HA 0.286 4.621 4.350 -0.024 0.000 0.251 1014 T C 0.683 175.412 174.700 0.048 0.000 1.040 1014 T CA -0.245 61.867 62.100 0.020 0.000 0.985 1014 T CB 0.157 69.022 68.868 -0.004 0.000 1.011 1014 T HN 0.225 nan 8.240 nan 0.000 0.509 1015 R N 0.491 121.025 120.500 0.057 0.000 2.577 1015 R HA 0.721 5.046 4.340 -0.024 0.000 0.269 1015 R C -0.967 175.410 176.300 0.129 0.000 1.084 1015 R CA -0.583 55.575 56.100 0.096 0.000 1.163 1015 R CB 1.395 31.738 30.300 0.073 0.000 1.100 1015 R HN 0.150 nan 8.270 nan 0.000 0.547 1016 V N 0.311 120.338 119.914 0.188 0.000 2.962 1016 V HA 0.453 4.558 4.120 -0.024 0.000 0.313 1016 V C 0.181 176.406 176.094 0.218 0.000 1.099 1016 V CA -0.303 62.108 62.300 0.185 0.000 0.971 1016 V CB 2.015 33.977 31.823 0.231 0.000 1.028 1016 V HN 0.913 nan 8.190 nan 0.000 0.430 1017 A N 4.146 127.062 122.820 0.160 0.000 2.167 1017 A HA 0.759 5.065 4.320 -0.024 0.000 0.214 1017 A C 0.835 178.431 177.584 0.020 0.000 1.151 1017 A CA 1.014 53.140 52.037 0.147 0.000 0.735 1017 A CB -0.285 18.748 19.000 0.055 0.000 0.802 1017 A HN 1.759 nan 8.150 nan 0.000 0.467 1018 A N -1.047 121.795 122.820 0.037 0.000 2.549 1018 A HA 0.643 4.948 4.320 -0.024 0.000 0.297 1018 A C -0.103 177.572 177.584 0.152 0.000 1.061 1018 A CA 0.131 52.183 52.037 0.024 0.000 0.690 1018 A CB 0.662 19.634 19.000 -0.047 0.000 1.287 1018 A HN 0.617 nan 8.150 nan 0.000 0.402 1019 T N -0.979 113.569 114.554 -0.010 0.000 2.949 1019 T HA 0.678 5.013 4.350 -0.024 0.000 0.287 1019 T C -2.205 172.311 174.700 -0.307 0.000 1.034 1019 T CA -1.905 59.949 62.100 -0.411 0.000 1.018 1019 T CB 1.452 69.908 68.868 -0.687 0.000 1.135 1019 T HN 0.175 nan 8.240 nan 0.000 0.532 1020 P HA -0.098 nan 4.420 nan 0.000 0.216 1020 P C 1.406 178.582 177.300 -0.207 0.000 1.154 1020 P CA 1.146 64.011 63.100 -0.391 0.000 0.865 1020 P CB 0.079 31.482 31.700 -0.495 0.000 0.789 1021 K N -0.615 119.644 120.400 -0.236 0.000 2.057 1021 K HA -0.104 4.201 4.320 -0.024 0.000 0.206 1021 K C 2.010 178.557 176.600 -0.089 0.000 1.050 1021 K CA 2.029 58.239 56.287 -0.129 0.000 0.935 1021 K CB -1.167 31.268 32.500 -0.109 0.000 0.715 1021 K HN 0.215 nan 8.250 nan 0.000 0.439 1022 T N -2.365 112.132 114.554 -0.096 0.000 2.951 1022 T HA -0.034 4.302 4.350 -0.024 0.000 0.268 1022 T C 1.877 176.549 174.700 -0.048 0.000 1.073 1022 T CA 1.002 63.062 62.100 -0.068 0.000 1.134 1022 T CB -0.390 68.431 68.868 -0.077 0.000 0.884 1022 T HN -0.069 nan 8.240 nan 0.000 0.479 1023 V N 1.939 121.837 119.914 -0.026 0.000 2.295 1023 V HA -0.165 3.940 4.120 -0.024 0.000 0.246 1023 V C 2.756 178.850 176.094 0.001 0.000 1.049 1023 V CA 2.186 64.487 62.300 0.001 0.000 1.024 1023 V CB -0.731 31.133 31.823 0.069 0.000 0.648 1023 V HN 0.571 nan 8.190 nan 0.000 0.447 1024 E N -0.374 119.820 120.200 -0.010 0.000 2.130 1024 E HA -0.311 4.024 4.350 -0.024 0.000 0.196 1024 E C 2.312 178.912 176.600 -0.001 0.000 0.998 1024 E CA 1.622 58.018 56.400 -0.007 0.000 0.806 1024 E CB -0.182 29.507 29.700 -0.019 0.000 0.738 1024 E HN 0.679 nan 8.360 nan 0.000 0.459 1025 Q N 0.219 120.013 119.800 -0.010 0.000 2.079 1025 Q HA -0.119 4.206 4.340 -0.024 0.000 0.200 1025 Q C 2.347 178.362 176.000 0.025 0.000 0.974 1025 Q CA 0.960 56.762 55.803 -0.002 0.000 0.840 1025 Q CB -0.075 28.652 28.738 -0.019 0.000 0.898 1025 Q HN 0.326 nan 8.270 nan 0.000 0.430 1026 L N 0.038 121.274 121.223 0.021 0.000 2.131 1026 L HA -0.194 4.131 4.340 -0.024 0.000 0.210 1026 L C 2.021 178.984 176.870 0.155 0.000 1.092 1026 L CA 0.408 55.291 54.840 0.071 0.000 0.759 1026 L CB -0.289 41.757 42.059 -0.022 0.000 0.903 1026 L HN 0.224 nan 8.230 nan 0.000 0.435 1027 L N -0.160 121.112 121.223 0.082 0.000 2.093 1027 L HA -0.154 4.171 4.340 -0.024 0.000 0.208 1027 L C 2.423 179.319 176.870 0.043 0.000 1.085 1027 L CA 1.615 56.495 54.840 0.067 0.000 0.755 1027 L CB -0.721 41.358 42.059 0.034 0.000 0.904 1027 L HN 0.135 nan 8.230 nan 0.000 0.435 1028 K N -0.502 119.918 120.400 0.034 0.000 2.280 1028 K HA -0.083 4.222 4.320 -0.024 0.000 0.202 1028 K C 1.734 178.341 176.600 0.012 0.000 1.047 1028 K CA 0.833 57.129 56.287 0.014 0.000 0.942 1028 K CB -0.176 32.329 32.500 0.009 0.000 0.739 1028 K HN 0.322 nan 8.250 nan 0.000 0.457 1029 L N -0.370 120.888 121.223 0.059 0.000 2.599 1029 L HA 0.058 4.383 4.340 -0.024 0.000 0.230 1029 L C 1.162 177.929 176.870 -0.171 0.000 1.141 1029 L CA 0.470 55.337 54.840 0.045 0.000 0.877 1029 L CB -0.082 42.142 42.059 0.275 0.000 1.009 1029 L HN 0.436 nan 8.230 nan 0.000 0.447 1030 G N -0.540 108.173 108.800 -0.145 0.000 2.176 1030 G HA2 -0.262 3.683 3.960 -0.024 0.000 0.232 1030 G HA3 -0.262 3.683 3.960 -0.024 0.000 0.232 1030 G C 0.060 174.776 174.900 -0.307 0.000 0.986 1030 G CA -0.510 44.439 45.100 -0.251 0.000 0.643 1030 G HN 0.146 nan 8.290 nan 0.000 0.522 1031 F N 1.734 121.665 119.950 -0.032 0.000 2.370 1031 F HA 0.652 5.167 4.527 -0.020 0.000 0.324 1031 F C 1.319 177.098 175.800 -0.035 0.000 1.116 1031 F CA 0.305 58.283 58.000 -0.036 0.000 1.123 1031 F CB 1.239 40.212 39.000 -0.044 0.000 1.238 1031 F HN 0.164 nan 8.300 nan 0.000 0.536 1032 T N -1.260 113.398 114.554 0.173 0.000 2.952 1032 T HA 0.822 5.158 4.350 -0.024 0.000 0.286 1032 T C -0.907 173.827 174.700 0.057 0.000 1.024 1032 T CA -0.798 61.352 62.100 0.083 0.000 1.029 1032 T CB 1.625 70.518 68.868 0.042 0.000 1.094 1032 T HN 0.353 nan 8.240 nan 0.000 0.515 1033 V N 0.530 120.448 119.914 0.007 0.000 2.686 1033 V HA 0.765 4.870 4.120 -0.024 0.000 0.306 1033 V C -0.219 175.835 176.094 -0.068 0.000 1.065 1033 V CA -1.102 61.169 62.300 -0.047 0.000 0.894 1033 V CB 1.494 33.282 31.823 -0.059 0.000 1.004 1033 V HN 1.361 nan 8.190 nan 0.000 0.424 1034 A N 4.101 126.857 122.820 -0.106 0.000 2.331 1034 A HA 0.899 5.204 4.320 -0.024 0.000 0.320 1034 A C -0.897 176.568 177.584 -0.198 0.000 1.138 1034 A CA -0.574 51.390 52.037 -0.121 0.000 0.790 1034 A CB 1.590 20.532 19.000 -0.097 0.000 1.206 1034 A HN 0.715 nan 8.150 nan 0.000 0.470 1035 V N 2.393 122.165 119.914 -0.236 0.000 2.459 1035 V HA 0.301 4.407 4.120 -0.024 0.000 0.295 1035 V C 0.393 176.343 176.094 -0.240 0.000 1.029 1035 V CA -0.660 61.429 62.300 -0.351 0.000 0.874 1035 V CB 1.532 32.960 31.823 -0.659 0.000 0.985 1035 V HN 1.030 nan 8.190 nan 0.000 0.438 1036 E N 2.757 122.828 120.200 -0.215 0.000 2.384 1036 E HA 0.114 4.450 4.350 -0.024 0.000 0.266 1036 E C 0.292 176.841 176.600 -0.086 0.000 1.012 1036 E CA -0.106 56.221 56.400 -0.123 0.000 0.901 1036 E CB 0.759 30.399 29.700 -0.099 0.000 0.967 1036 E HN 0.728 nan 8.360 nan 0.000 0.435 1037 S N 2.817 118.498 115.700 -0.032 0.000 2.563 1037 S HA 0.213 4.668 4.470 -0.024 0.000 0.294 1037 S C 1.024 175.640 174.600 0.027 0.000 1.279 1037 S CA 1.023 59.228 58.200 0.010 0.000 1.069 1037 S CB -0.014 63.199 63.200 0.021 0.000 0.828 1037 S HN 0.892 nan 8.310 nan 0.000 0.497 1038 G N 3.416 112.254 108.800 0.063 0.000 2.217 1038 G HA2 -0.275 3.670 3.960 -0.024 0.000 0.246 1038 G HA3 -0.275 3.670 3.960 -0.024 0.000 0.246 1038 G C 1.075 176.028 174.900 0.088 0.000 0.990 1038 G CA 0.534 45.679 45.100 0.076 0.000 0.627 1038 G HN 1.373 nan 8.290 nan 0.000 0.522 1039 A N 0.344 123.201 122.820 0.062 0.000 1.908 1039 A HA 0.313 4.618 4.320 -0.024 0.000 0.218 1039 A C 2.585 180.262 177.584 0.154 0.000 1.181 1039 A CA 2.394 54.461 52.037 0.049 0.000 0.627 1039 A CB -0.732 18.224 19.000 -0.072 0.000 0.818 1039 A HN 1.661 nan 8.150 nan 0.000 0.445 1040 G N -1.970 107.023 108.800 0.320 0.000 3.042 1040 G HA2 0.167 4.112 3.960 -0.024 0.000 0.212 1040 G HA3 0.167 4.112 3.960 -0.024 0.000 0.212 1040 G C 1.263 176.328 174.900 0.275 0.000 1.166 1040 G CA 0.731 46.116 45.100 0.475 0.000 0.767 1040 G HN 0.466 nan 8.290 nan 0.000 0.546 1041 Q N 0.424 120.331 119.800 0.179 0.000 2.077 1041 Q HA -0.022 4.303 4.340 -0.024 0.000 0.206 1041 Q C 2.275 178.289 176.000 0.024 0.000 0.989 1041 Q CA 1.359 57.215 55.803 0.088 0.000 0.853 1041 Q CB -0.348 28.432 28.738 0.070 0.000 0.907 1041 Q HN 0.492 nan 8.270 nan 0.000 0.418 1042 L N -0.726 120.515 121.223 0.031 0.000 2.465 1042 L HA 0.048 4.373 4.340 -0.024 0.000 0.224 1042 L C 1.561 178.408 176.870 -0.039 0.000 1.145 1042 L CA 0.612 55.449 54.840 -0.005 0.000 0.834 1042 L CB -0.202 41.863 42.059 0.010 0.000 0.944 1042 L HN 0.179 nan 8.230 nan 0.000 0.451 1043 A N -1.719 121.079 122.820 -0.036 0.000 2.345 1043 A HA 0.217 4.523 4.320 -0.024 0.000 0.225 1043 A C 1.242 178.526 177.584 -0.500 0.000 1.243 1043 A CA 0.337 52.293 52.037 -0.136 0.000 0.875 1043 A CB 0.092 19.129 19.000 0.061 0.000 0.929 1043 A HN 0.238 nan 8.150 nan 0.000 0.502 1044 S N -1.919 113.557 115.700 -0.373 0.000 3.450 1044 S HA -0.143 4.312 4.470 -0.024 0.000 0.288 1044 S C -0.548 173.735 174.600 -0.530 0.000 1.256 1044 S CA 0.799 58.737 58.200 -0.437 0.000 0.910 1044 S CB -2.090 60.825 63.200 -0.475 0.000 1.090 1044 S HN 0.531 nan 8.310 nan 0.000 0.630 1045 F N 2.778 122.699 119.950 -0.049 0.000 2.325 1045 F HA 0.442 4.950 4.527 -0.032 0.000 0.369 1045 F C 0.482 176.247 175.800 -0.059 0.000 1.095 1045 F CA -2.060 55.840 58.000 -0.166 0.000 1.082 1045 F CB 0.774 39.576 39.000 -0.329 0.000 1.289 1045 F HN 0.115 nan 8.300 nan 0.000 0.462 1046 D N 0.372 120.828 120.400 0.094 0.000 2.411 1046 D HA 0.091 4.716 4.640 -0.024 0.000 0.251 1046 D C 0.692 177.100 176.300 0.180 0.000 1.201 1046 D CA -0.392 53.681 54.000 0.121 0.000 0.996 1046 D CB 0.756 41.595 40.800 0.064 0.000 1.101 1046 D HN 0.249 nan 8.370 nan 0.000 0.504 1047 D N -0.629 119.892 120.400 0.201 0.000 2.133 1047 D HA -0.205 4.420 4.640 -0.024 0.000 0.195 1047 D C 1.789 178.199 176.300 0.182 0.000 0.997 1047 D CA 1.995 56.135 54.000 0.234 0.000 0.840 1047 D CB -0.217 40.666 40.800 0.137 0.000 0.947 1047 D HN 0.746 nan 8.370 nan 0.000 0.452 1048 K N 0.499 120.958 120.400 0.100 0.000 2.217 1048 K HA 0.151 4.456 4.320 -0.024 0.000 0.202 1048 K C 2.051 178.669 176.600 0.031 0.000 1.051 1048 K CA 1.105 57.430 56.287 0.063 0.000 0.952 1048 K CB -0.050 32.474 32.500 0.039 0.000 0.736 1048 K HN 0.020 nan 8.250 nan 0.000 0.453 1049 A N 1.136 123.948 122.820 -0.014 0.000 1.969 1049 A HA -0.030 4.276 4.320 -0.024 0.000 0.218 1049 A C 1.712 179.189 177.584 -0.179 0.000 1.169 1049 A CA 0.864 52.835 52.037 -0.109 0.000 0.635 1049 A CB -0.671 18.243 19.000 -0.143 0.000 0.810 1049 A HN 0.310 nan 8.150 nan 0.000 0.445 1050 F N -0.282 119.668 119.950 -0.001 0.000 2.186 1050 F HA -0.106 4.404 4.527 -0.029 0.000 0.299 1050 F C 2.415 178.199 175.800 -0.027 0.000 1.090 1050 F CA 1.291 59.270 58.000 -0.034 0.000 1.307 1050 F CB -0.640 38.342 39.000 -0.030 0.000 1.019 1050 F HN 0.024 nan 8.300 nan 0.000 0.489 1051 V N -0.155 119.856 119.914 0.162 0.000 2.358 1051 V HA -0.320 3.785 4.120 -0.024 0.000 0.246 1051 V C 2.402 178.527 176.094 0.051 0.000 1.047 1051 V CA 2.084 64.437 62.300 0.089 0.000 1.035 1051 V CB -0.823 31.041 31.823 0.068 0.000 0.658 1051 V HN 0.367 nan 8.190 nan 0.000 0.452 1052 Q N 0.345 120.163 119.800 0.031 0.000 2.112 1052 Q HA -0.247 4.078 4.340 -0.024 0.000 0.206 1052 Q C 2.105 178.107 176.000 0.003 0.000 0.987 1052 Q CA 2.246 58.054 55.803 0.007 0.000 0.858 1052 Q CB -0.316 28.416 28.738 -0.009 0.000 0.905 1052 Q HN 0.631 nan 8.270 nan 0.000 0.420 1053 A N -0.641 122.181 122.820 0.003 0.000 2.066 1053 A HA 0.166 4.471 4.320 -0.024 0.000 0.218 1053 A C 1.614 179.211 177.584 0.022 0.000 1.157 1053 A CA 1.244 53.282 52.037 0.003 0.000 0.670 1053 A CB -0.293 18.704 19.000 -0.005 0.000 0.804 1053 A HN 0.726 nan 8.150 nan 0.000 0.453 1054 G N -3.025 105.797 108.800 0.037 0.000 2.198 1054 G HA2 0.259 4.204 3.960 -0.024 0.000 0.156 1054 G HA3 0.259 4.204 3.960 -0.024 0.000 0.156 1054 G C 0.276 175.196 174.900 0.033 0.000 1.012 1054 G CA 0.100 45.217 45.100 0.029 0.000 0.692 1054 G HN 1.356 nan 8.290 nan 0.000 0.492 1055 A N -0.002 122.848 122.820 0.051 0.000 2.286 1055 A HA 0.740 5.045 4.320 -0.024 0.000 0.286 1055 A C 0.311 177.907 177.584 0.021 0.000 1.097 1055 A CA 0.142 52.196 52.037 0.027 0.000 0.821 1055 A CB 0.803 19.820 19.000 0.028 0.000 1.076 1055 A HN 0.455 nan 8.150 nan 0.000 0.490 1056 E N 1.046 121.241 120.200 -0.009 0.000 2.204 1056 E HA 0.420 4.755 4.350 -0.024 0.000 0.276 1056 E C -0.979 175.604 176.600 -0.028 0.000 0.974 1056 E CA -0.617 55.777 56.400 -0.009 0.000 0.815 1056 E CB 0.679 30.371 29.700 -0.013 0.000 1.119 1056 E HN 0.479 nan 8.360 nan 0.000 0.393 1057 I N 4.799 125.364 120.570 -0.009 0.000 2.396 1057 I HA 0.202 4.358 4.170 -0.024 0.000 0.292 1057 I C 0.404 176.508 176.117 -0.021 0.000 0.999 1057 I CA -0.472 60.816 61.300 -0.019 0.000 1.310 1057 I CB 0.824 38.833 38.000 0.016 0.000 1.404 1057 I HN 0.368 nan 8.210 nan 0.000 0.496 1058 V N 3.246 123.139 119.914 -0.035 0.000 3.102 1058 V HA 0.716 4.821 4.120 -0.024 0.000 0.312 1058 V C -0.710 175.376 176.094 -0.014 0.000 1.135 1058 V CA -0.722 61.564 62.300 -0.023 0.000 1.022 1058 V CB 2.506 34.310 31.823 -0.032 0.000 1.056 1058 V HN 0.773 nan 8.190 nan 0.000 0.436 1059 E N 0.532 120.734 120.200 0.004 0.000 2.320 1059 E HA 0.721 5.056 4.350 -0.024 0.000 0.264 1059 E C 0.350 176.969 176.600 0.032 0.000 0.923 1059 E CA 0.132 56.542 56.400 0.016 0.000 0.796 1059 E CB 1.935 31.646 29.700 0.019 0.000 1.262 1059 E HN 1.660 nan 8.360 nan 0.000 0.428 1060 G N 1.725 110.551 108.800 0.044 0.000 2.575 1060 G HA2 -0.322 3.624 3.960 -0.024 0.000 0.267 1060 G HA3 -0.322 3.624 3.960 -0.024 0.000 0.267 1060 G C 0.161 175.123 174.900 0.104 0.000 1.264 1060 G CA 0.114 45.253 45.100 0.064 0.000 0.935 1060 G HN 0.599 nan 8.290 nan 0.000 0.568 1061 N N 1.056 119.836 118.700 0.134 0.000 2.313 1061 N HA 0.162 4.888 4.740 -0.024 0.000 0.207 1061 N C 2.092 177.733 175.510 0.217 0.000 1.141 1061 N CA 0.954 54.157 53.050 0.255 0.000 0.830 1061 N CB 0.211 38.812 38.487 0.190 0.000 1.008 1061 N HN 0.475 nan 8.380 nan 0.000 0.481 1062 S N -0.204 115.562 115.700 0.111 0.000 2.419 1062 S HA -0.110 4.346 4.470 -0.024 0.000 0.235 1062 S C 2.063 176.691 174.600 0.046 0.000 1.019 1062 S CA 0.494 58.736 58.200 0.070 0.000 0.982 1062 S CB -0.241 62.977 63.200 0.032 0.000 0.789 1062 S HN 0.226 nan 8.310 nan 0.000 0.490 1063 V N 0.717 120.628 119.914 -0.004 0.000 2.490 1063 V HA -0.131 3.974 4.120 -0.024 0.000 0.250 1063 V C 1.508 177.483 176.094 -0.198 0.000 1.061 1063 V CA 1.447 63.656 62.300 -0.152 0.000 1.064 1063 V CB -0.641 31.014 31.823 -0.281 0.000 0.670 1063 V HN 0.711 nan 8.190 nan 0.000 0.461 1064 W N -0.282 121.005 121.300 -0.022 0.000 2.721 1064 W HA 0.004 4.648 4.660 -0.027 0.000 0.245 1064 W C 1.434 177.944 176.519 -0.015 0.000 1.276 1064 W CA 0.156 57.490 57.345 -0.018 0.000 1.342 1064 W CB -0.131 29.322 29.460 -0.013 0.000 1.135 1064 W HN 0.244 nan 8.180 nan 0.000 0.654 1065 Q N 0.867 120.751 119.800 0.140 0.000 3.122 1065 Q HA 0.190 4.516 4.340 -0.024 0.000 0.360 1065 Q C -0.251 175.770 176.000 0.035 0.000 1.300 1065 Q CA 0.332 56.186 55.803 0.084 0.000 0.982 1065 Q CB 0.188 28.965 28.738 0.065 0.000 1.534 1065 Q HN 0.000 nan 8.270 nan 0.000 0.474 1066 S N -0.295 115.418 115.700 0.022 0.000 2.599 1066 S HA 0.210 4.665 4.470 -0.024 0.000 0.287 1066 S C 0.856 175.459 174.600 0.007 0.000 1.105 1066 S CA -0.853 57.342 58.200 -0.009 0.000 0.899 1066 S CB 2.356 65.516 63.200 -0.067 0.000 1.100 1066 S HN 0.423 nan 8.310 nan 0.000 0.482 1067 E N 0.597 120.805 120.200 0.012 0.000 2.110 1067 E HA -0.075 4.261 4.350 -0.024 0.000 0.193 1067 E C 0.378 176.977 176.600 -0.000 0.000 0.988 1067 E CA 0.914 57.328 56.400 0.024 0.000 0.804 1067 E CB 0.133 29.864 29.700 0.053 0.000 0.745 1067 E HN 0.637 nan 8.360 nan 0.000 0.458 1068 I N -0.354 120.188 120.570 -0.047 0.000 2.582 1068 I HA 0.326 4.481 4.170 -0.024 0.000 0.292 1068 I C -1.289 174.738 176.117 -0.149 0.000 1.066 1068 I CA -0.928 60.313 61.300 -0.098 0.000 1.053 1068 I CB 1.729 39.637 38.000 -0.153 0.000 1.241 1068 I HN -0.217 nan 8.210 nan 0.000 0.421 1069 I N 7.556 128.040 120.570 -0.145 0.000 2.378 1069 I HA 0.412 4.567 4.170 -0.024 0.000 0.291 1069 I C -0.495 175.507 176.117 -0.193 0.000 0.992 1069 I CA -0.653 60.514 61.300 -0.222 0.000 1.154 1069 I CB 1.680 39.535 38.000 -0.242 0.000 1.315 1069 I HN 0.562 nan 8.210 nan 0.000 0.448 1070 L N 6.747 127.837 121.223 -0.221 0.000 2.305 1070 L HA 0.530 4.855 4.340 -0.024 0.000 0.284 1070 L C -0.069 176.725 176.870 -0.127 0.000 1.013 1070 L CA -0.563 54.171 54.840 -0.176 0.000 0.819 1070 L CB 1.433 43.366 42.059 -0.210 0.000 1.227 1070 L HN 0.530 nan 8.230 nan 0.000 0.417 1071 K N 1.480 121.862 120.400 -0.030 0.000 2.444 1071 K HA 0.490 4.795 4.320 -0.024 0.000 0.252 1071 K C 0.236 176.974 176.600 0.230 0.000 0.993 1071 K CA -0.866 55.457 56.287 0.060 0.000 0.847 1071 K CB 2.810 35.342 32.500 0.053 0.000 1.340 1071 K HN 0.168 nan 8.250 nan 0.000 0.446 1072 V N 0.340 120.386 119.914 0.219 0.000 2.283 1072 V HA -0.064 4.042 4.120 -0.024 0.000 0.239 1072 V C 0.562 176.782 176.094 0.209 0.000 1.035 1072 V CA 1.018 63.413 62.300 0.158 0.000 1.018 1072 V CB -0.217 31.636 31.823 0.049 0.000 0.658 1072 V HN 0.647 nan 8.190 nan 0.000 0.459 1073 N N -0.039 118.763 118.700 0.169 0.000 2.477 1073 N HA 0.540 5.265 4.740 -0.024 0.000 0.284 1073 N C -0.215 175.398 175.510 0.172 0.000 1.182 1073 N CA 0.046 53.206 53.050 0.184 0.000 0.949 1073 N CB 1.528 40.094 38.487 0.132 0.000 1.204 1073 N HN 0.351 nan 8.380 nan 0.000 0.526 1074 A N 1.214 124.137 122.820 0.171 0.000 2.445 1074 A HA 0.320 4.626 4.320 -0.024 0.000 0.242 1074 A C -2.083 175.585 177.584 0.140 0.000 1.075 1074 A CA -0.745 51.378 52.037 0.143 0.000 0.777 1074 A CB -0.643 18.432 19.000 0.125 0.000 1.013 1074 A HN 0.407 nan 8.150 nan 0.000 0.493 1075 P HA 0.179 nan 4.420 nan 0.000 0.265 1075 P C -0.335 177.003 177.300 0.064 0.000 1.193 1075 P CA 0.197 63.382 63.100 0.142 0.000 0.765 1075 P CB 0.287 32.053 31.700 0.111 0.000 0.823 1076 L N 2.283 123.532 121.223 0.044 0.000 2.475 1076 L HA 0.078 4.403 4.340 -0.024 0.000 0.250 1076 L C 1.685 178.540 176.870 -0.025 0.000 1.224 1076 L CA -0.185 54.664 54.840 0.015 0.000 0.821 1076 L CB 0.026 42.096 42.059 0.017 0.000 1.141 1076 L HN 0.322 nan 8.230 nan 0.000 0.494 1077 D N 0.423 120.808 120.400 -0.025 0.000 2.116 1077 D HA -0.204 4.421 4.640 -0.024 0.000 0.193 1077 D C 1.441 177.697 176.300 -0.073 0.000 0.998 1077 D CA 1.787 55.763 54.000 -0.041 0.000 0.836 1077 D CB -0.248 40.535 40.800 -0.028 0.000 0.951 1077 D HN 0.703 nan 8.370 nan 0.000 0.449 1078 D N -0.034 120.322 120.400 -0.073 0.000 2.371 1078 D HA -0.091 4.534 4.640 -0.024 0.000 0.221 1078 D C 1.173 177.364 176.300 -0.182 0.000 0.986 1078 D CA 0.576 54.516 54.000 -0.100 0.000 0.899 1078 D CB -0.445 40.314 40.800 -0.067 0.000 0.902 1078 D HN 0.301 nan 8.370 nan 0.000 0.530 1079 E N -0.337 119.729 120.200 -0.222 0.000 2.415 1079 E HA 0.171 4.507 4.350 -0.024 0.000 0.197 1079 E C 1.850 178.128 176.600 -0.537 0.000 1.007 1079 E CA -0.134 55.984 56.400 -0.469 0.000 0.890 1079 E CB 0.198 29.686 29.700 -0.353 0.000 0.891 1079 E HN 0.304 nan 8.360 nan 0.000 0.496 1080 I N 1.525 121.929 120.570 -0.276 0.000 2.315 1080 I HA -0.228 3.927 4.170 -0.024 0.000 0.248 1080 I C 2.484 178.478 176.117 -0.204 0.000 1.117 1080 I CA 0.822 62.003 61.300 -0.198 0.000 1.404 1080 I CB -0.124 37.818 38.000 -0.096 0.000 1.071 1080 I HN 0.072 nan 8.210 nan 0.000 0.419 1081 A N 0.656 123.354 122.820 -0.203 0.000 2.024 1081 A HA -0.153 4.152 4.320 -0.024 0.000 0.220 1081 A C 2.186 179.652 177.584 -0.196 0.000 1.164 1081 A CA 1.391 53.331 52.037 -0.162 0.000 0.643 1081 A CB -0.762 18.157 19.000 -0.135 0.000 0.806 1081 A HN 0.436 nan 8.150 nan 0.000 0.451 1082 L N -0.123 120.886 121.223 -0.356 0.000 2.395 1082 L HA 0.028 4.353 4.340 -0.024 0.000 0.218 1082 L C 0.043 176.799 176.870 -0.190 0.000 1.130 1082 L CA -0.315 54.294 54.840 -0.384 0.000 0.826 1082 L CB -0.364 41.178 42.059 -0.861 0.000 0.941 1082 L HN 0.202 nan 8.230 nan 0.000 0.451 1083 L N 1.564 122.696 121.223 -0.151 0.000 2.462 1083 L HA 0.074 4.399 4.340 -0.024 0.000 0.272 1083 L C 0.039 176.931 176.870 0.038 0.000 1.166 1083 L CA 0.643 55.515 54.840 0.054 0.000 0.880 1083 L CB -0.132 41.960 42.059 0.055 0.000 1.142 1083 L HN 0.207 nan 8.230 nan 0.000 0.473 1084 N N 5.044 123.789 118.700 0.075 0.000 2.498 1084 N HA 0.355 5.081 4.740 -0.024 0.000 0.287 1084 N C -2.357 173.179 175.510 0.043 0.000 1.097 1084 N CA -1.613 51.466 53.050 0.048 0.000 0.973 1084 N CB 0.752 39.273 38.487 0.056 0.000 1.153 1084 N HN 0.270 nan 8.380 nan 0.000 0.472 1085 P HA -0.019 nan 4.420 nan 0.000 0.263 1085 P C 0.878 178.193 177.300 0.026 0.000 1.168 1085 P CA 1.041 64.155 63.100 0.023 0.000 0.759 1085 P CB 0.261 31.971 31.700 0.016 0.000 0.782 1086 G N 1.403 110.217 108.800 0.024 0.000 2.179 1086 G HA2 -0.231 3.715 3.960 -0.024 0.000 0.260 1086 G HA3 -0.231 3.715 3.960 -0.024 0.000 0.260 1086 G C 0.386 175.303 174.900 0.028 0.000 0.977 1086 G CA 0.178 45.291 45.100 0.021 0.000 0.641 1086 G HN 0.604 nan 8.290 nan 0.000 0.533 1087 T N 1.518 116.095 114.554 0.038 0.000 2.913 1087 T HA 0.517 4.852 4.350 -0.024 0.000 0.297 1087 T C 0.381 175.101 174.700 0.035 0.000 1.029 1087 T CA 0.836 62.962 62.100 0.044 0.000 1.104 1087 T CB 1.267 70.180 68.868 0.075 0.000 0.964 1087 T HN 0.185 nan 8.240 nan 0.000 0.532 1088 T N 3.735 118.300 114.554 0.018 0.000 2.772 1088 T HA 0.434 4.769 4.350 -0.024 0.000 0.288 1088 T C -0.555 174.139 174.700 -0.009 0.000 0.994 1088 T CA -0.590 61.514 62.100 0.006 0.000 0.951 1088 T CB 0.533 69.398 68.868 -0.005 0.000 0.933 1088 T HN 0.325 nan 8.240 nan 0.000 0.447 1089 L N 5.720 126.949 121.223 0.010 0.000 2.275 1089 L HA 0.661 4.987 4.340 -0.024 0.000 0.288 1089 L C -0.884 175.970 176.870 -0.026 0.000 1.046 1089 L CA -0.345 54.499 54.840 0.007 0.000 0.805 1089 L CB 0.929 43.026 42.059 0.065 0.000 1.193 1089 L HN 0.387 nan 8.230 nan 0.000 0.426 1090 V N 5.380 125.256 119.914 -0.064 0.000 2.334 1090 V HA 0.788 4.893 4.120 -0.024 0.000 0.281 1090 V C -0.122 175.927 176.094 -0.075 0.000 1.016 1090 V CA 0.125 62.367 62.300 -0.097 0.000 0.832 1090 V CB 0.710 32.443 31.823 -0.150 0.000 0.999 1090 V HN 1.007 nan 8.190 nan 0.000 0.439 1091 S N 3.799 119.456 115.700 -0.072 0.000 2.672 1091 S HA 0.733 5.189 4.470 -0.024 0.000 0.271 1091 S C -0.839 173.662 174.600 -0.165 0.000 1.171 1091 S CA -0.855 57.323 58.200 -0.036 0.000 0.817 1091 S CB 1.073 64.312 63.200 0.066 0.000 1.150 1091 S HN 0.174 nan 8.310 nan 0.000 0.478 1092 F N 1.180 121.123 119.950 -0.012 0.000 2.572 1092 F HA 0.342 4.899 4.527 0.051 0.000 0.370 1092 F C 1.305 177.024 175.800 -0.135 0.000 1.103 1092 F CA -0.023 57.869 58.000 -0.180 0.000 1.286 1092 F CB 0.169 39.089 39.000 -0.133 0.000 1.105 1092 F HN 0.443 nan 8.300 nan 0.000 0.583 1093 I N -0.022 120.502 120.570 -0.077 0.000 4.317 1093 I HA 0.023 4.178 4.170 -0.024 0.000 0.289 1093 I C -0.451 175.708 176.117 0.070 0.000 1.164 1093 I CA -0.094 61.198 61.300 -0.014 0.000 1.312 1093 I CB -0.608 37.343 38.000 -0.082 0.000 1.569 1093 I HN 0.763 nan 8.210 nan 0.000 0.450 1094 W N 2.715 124.019 121.300 0.007 0.000 5.655 1094 W HA -0.145 4.455 4.660 -0.100 0.000 0.428 1094 W C -1.668 174.736 176.519 -0.190 0.000 1.712 1094 W CA -0.251 57.064 57.345 -0.049 0.000 0.956 1094 W CB -1.760 27.687 29.460 -0.023 0.000 2.931 1094 W HN 0.147 nan 8.180 nan 0.000 1.293 1095 P HA -0.225 nan 4.420 nan 0.000 0.217 1095 P C 1.554 178.425 177.300 -0.714 0.000 1.150 1095 P CA 2.815 65.534 63.100 -0.636 0.000 0.832 1095 P CB -0.059 30.893 31.700 -1.247 0.000 0.787 1096 A N -0.244 122.287 122.820 -0.482 0.000 2.019 1096 A HA -0.181 4.125 4.320 -0.024 0.000 0.219 1096 A C 2.065 179.644 177.584 -0.008 0.000 1.164 1096 A CA 1.553 53.532 52.037 -0.097 0.000 0.644 1096 A CB -1.078 18.108 19.000 0.309 0.000 0.805 1096 A HN 0.168 nan 8.150 nan 0.000 0.449 1097 Q N -0.043 119.759 119.800 0.003 0.000 2.360 1097 Q HA 0.174 4.500 4.340 -0.024 0.000 0.202 1097 Q C -0.498 175.495 176.000 -0.011 0.000 0.915 1097 Q CA 0.317 56.126 55.803 0.010 0.000 0.943 1097 Q CB 0.452 29.189 28.738 -0.002 0.000 1.064 1097 Q HN 0.569 nan 8.270 nan 0.000 0.511 1098 N N 0.315 118.989 118.700 -0.044 0.000 2.726 1098 N HA 0.129 4.855 4.740 -0.024 0.000 0.253 1098 N C -2.397 173.071 175.510 -0.070 0.000 1.530 1098 N CA -0.824 52.203 53.050 -0.037 0.000 0.772 1098 N CB 1.550 40.033 38.487 -0.007 0.000 1.220 1098 N HN 0.018 nan 8.380 nan 0.000 0.508 1099 P HA -0.083 nan 4.420 nan 0.000 0.219 1099 P C 0.790 178.085 177.300 -0.009 0.000 1.150 1099 P CA 1.228 64.311 63.100 -0.027 0.000 0.814 1099 P CB 0.740 32.451 31.700 0.018 0.000 0.787 1100 E N 0.523 120.720 120.200 -0.005 0.000 2.031 1100 E HA -0.137 4.198 4.350 -0.024 0.000 0.193 1100 E C 2.244 178.841 176.600 -0.004 0.000 0.994 1100 E CA 0.773 57.173 56.400 -0.000 0.000 0.800 1100 E CB -1.182 28.518 29.700 0.001 0.000 0.752 1100 E HN 0.119 nan 8.360 nan 0.000 0.447 1101 L N 0.307 121.525 121.223 -0.008 0.000 2.012 1101 L HA -0.229 4.096 4.340 -0.024 0.000 0.210 1101 L C 2.131 178.993 176.870 -0.012 0.000 1.073 1101 L CA 1.455 56.291 54.840 -0.006 0.000 0.748 1101 L CB -0.206 41.854 42.059 0.003 0.000 0.891 1101 L HN 0.293 nan 8.230 nan 0.000 0.431 1102 M N -0.686 118.895 119.600 -0.033 0.000 2.149 1102 M HA -0.264 4.201 4.480 -0.024 0.000 0.261 1102 M C 2.124 178.427 176.300 0.005 0.000 1.064 1102 M CA 1.710 56.993 55.300 -0.028 0.000 1.102 1102 M CB -1.190 31.374 32.600 -0.060 0.000 1.369 1102 M HN 0.404 nan 8.290 nan 0.000 0.408 1103 Q N 0.282 120.088 119.800 0.009 0.000 2.002 1103 Q HA -0.188 4.137 4.340 -0.024 0.000 0.204 1103 Q C 2.114 178.121 176.000 0.011 0.000 0.988 1103 Q CA 1.621 57.435 55.803 0.018 0.000 0.843 1103 Q CB -0.200 28.549 28.738 0.017 0.000 0.908 1103 Q HN 0.508 nan 8.270 nan 0.000 0.420 1104 K N 0.425 120.827 120.400 0.004 0.000 2.074 1104 K HA -0.172 4.133 4.320 -0.024 0.000 0.209 1104 K C 2.047 178.646 176.600 -0.001 0.000 1.048 1104 K CA 1.172 57.458 56.287 -0.002 0.000 0.926 1104 K CB -0.180 32.315 32.500 -0.009 0.000 0.713 1104 K HN 0.161 nan 8.250 nan 0.000 0.444 1105 L N 0.138 121.364 121.223 0.006 0.000 2.156 1105 L HA -0.109 4.217 4.340 -0.024 0.000 0.208 1105 L C 2.492 179.374 176.870 0.020 0.000 1.095 1105 L CA 0.787 55.635 54.840 0.013 0.000 0.770 1105 L CB -0.386 41.685 42.059 0.020 0.000 0.914 1105 L HN 0.196 nan 8.230 nan 0.000 0.439 1106 A N 0.237 123.071 122.820 0.024 0.000 1.933 1106 A HA -0.193 4.112 4.320 -0.024 0.000 0.218 1106 A C 1.924 179.522 177.584 0.023 0.000 1.175 1106 A CA 1.343 53.398 52.037 0.030 0.000 0.628 1106 A CB -0.423 18.601 19.000 0.039 0.000 0.814 1106 A HN 0.514 nan 8.150 nan 0.000 0.444 1107 E N -0.582 119.627 120.200 0.015 0.000 2.526 1107 E HA -0.039 4.296 4.350 -0.024 0.000 0.198 1107 E C 1.231 177.834 176.600 0.006 0.000 1.091 1107 E CA 0.054 56.460 56.400 0.010 0.000 0.880 1107 E CB 0.019 29.721 29.700 0.005 0.000 0.873 1107 E HN 0.334 nan 8.360 nan 0.000 0.527 1108 R N 0.610 121.115 120.500 0.009 0.000 2.404 1108 R HA 0.089 4.415 4.340 -0.024 0.000 0.237 1108 R C 0.463 176.772 176.300 0.015 0.000 0.907 1108 R CA -0.026 56.079 56.100 0.007 0.000 1.063 1108 R CB 0.086 30.390 30.300 0.007 0.000 1.134 1108 R HN 0.165 nan 8.270 nan 0.000 0.529 1109 N N 1.045 119.756 118.700 0.018 0.000 2.776 1109 N HA -0.143 4.583 4.740 -0.024 0.000 0.249 1109 N C -0.332 175.191 175.510 0.022 0.000 1.111 1109 N CA 0.842 53.903 53.050 0.018 0.000 0.711 1109 N CB -1.038 37.457 38.487 0.013 0.000 1.065 1109 N HN 0.106 nan 8.380 nan 0.000 0.556 1110 V N -2.758 117.173 119.914 0.029 0.000 2.966 1110 V HA 0.734 4.840 4.120 -0.024 0.000 0.317 1110 V C 0.864 176.979 176.094 0.035 0.000 1.070 1110 V CA -0.419 61.901 62.300 0.034 0.000 1.008 1110 V CB 1.841 33.692 31.823 0.046 0.000 1.070 1110 V HN 0.081 nan 8.190 nan 0.000 0.457 1111 T N 2.301 116.875 114.554 0.034 0.000 2.799 1111 T HA 0.661 4.996 4.350 -0.024 0.000 0.286 1111 T C -0.424 174.299 174.700 0.040 0.000 0.973 1111 T CA -0.204 61.920 62.100 0.039 0.000 1.035 1111 T CB 1.207 70.093 68.868 0.029 0.000 0.932 1111 T HN 0.735 nan 8.240 nan 0.000 0.469 1112 V N 4.818 124.761 119.914 0.048 0.000 2.588 1112 V HA 0.529 4.635 4.120 -0.024 0.000 0.304 1112 V C -0.398 175.711 176.094 0.025 0.000 1.042 1112 V CA -0.843 61.476 62.300 0.031 0.000 0.877 1112 V CB 1.897 33.737 31.823 0.029 0.000 0.996 1112 V HN 0.850 nan 8.190 nan 0.000 0.425 1113 M N 3.894 123.488 119.600 -0.009 0.000 2.134 1113 M HA 0.654 5.120 4.480 -0.024 0.000 0.310 1113 M C -0.245 176.004 176.300 -0.085 0.000 0.966 1113 M CA -0.488 54.792 55.300 -0.033 0.000 0.922 1113 M CB 2.032 34.607 32.600 -0.042 0.000 1.537 1113 M HN 0.707 nan 8.290 nan 0.000 0.424 1114 A N 4.391 127.151 122.820 -0.099 0.000 2.279 1114 A HA 0.452 4.758 4.320 -0.024 0.000 0.306 1114 A C 1.023 178.464 177.584 -0.239 0.000 1.300 1114 A CA -0.592 51.341 52.037 -0.174 0.000 0.925 1114 A CB 0.443 19.345 19.000 -0.163 0.000 1.152 1114 A HN 0.937 nan 8.150 nan 0.000 0.544 1115 M N 1.564 120.933 119.600 -0.386 0.000 2.279 1115 M HA -0.133 4.333 4.480 -0.024 0.000 0.264 1115 M C 1.550 177.635 176.300 -0.359 0.000 1.062 1115 M CA 1.576 56.589 55.300 -0.478 0.000 1.099 1115 M CB -1.084 31.043 32.600 -0.790 0.000 1.394 1115 M HN 0.900 nan 8.290 nan 0.000 0.426 1116 D N -1.217 118.971 120.400 -0.354 0.000 2.309 1116 D HA -0.084 4.541 4.640 -0.024 0.000 0.212 1116 D C 0.631 176.807 176.300 -0.206 0.000 0.968 1116 D CA 0.854 54.632 54.000 -0.369 0.000 0.882 1116 D CB -0.286 39.758 40.800 -1.258 0.000 0.918 1116 D HN 0.256 nan 8.370 nan 0.000 0.503 1117 S N 0.434 116.047 115.700 -0.145 0.000 2.583 1117 S HA 0.181 4.636 4.470 -0.024 0.000 0.239 1117 S C 0.396 174.985 174.600 -0.020 0.000 0.966 1117 S CA -0.536 57.647 58.200 -0.028 0.000 0.973 1117 S CB 0.674 63.889 63.200 0.024 0.000 0.794 1117 S HN 0.085 nan 8.310 nan 0.000 0.463 1118 V N 4.381 124.273 119.914 -0.036 0.000 2.529 1118 V HA 0.126 4.231 4.120 -0.024 0.000 0.292 1118 V C -2.142 173.953 176.094 0.001 0.000 1.028 1118 V CA -1.584 60.702 62.300 -0.023 0.000 1.074 1118 V CB -0.026 31.782 31.823 -0.025 0.000 0.958 1118 V HN 0.210 nan 8.190 nan 0.000 0.481 1119 P HA 0.152 nan 4.420 nan 0.000 0.265 1119 P C -0.314 176.994 177.300 0.013 0.000 1.193 1119 P CA -0.114 62.988 63.100 0.004 0.000 0.765 1119 P CB 0.284 31.978 31.700 -0.010 0.000 0.823 1120 R N 3.493 124.008 120.500 0.024 0.000 4.164 1120 R HA 0.255 4.580 4.340 -0.024 0.000 0.195 1120 R C 0.547 176.858 176.300 0.019 0.000 1.712 1120 R CA -0.035 56.082 56.100 0.029 0.000 1.457 1120 R CB -0.967 29.358 30.300 0.041 0.000 1.387 1120 R HN 0.550 nan 8.270 nan 0.000 0.785 1121 I N -3.926 116.651 120.570 0.012 0.000 3.108 1121 I HA 0.425 4.581 4.170 -0.024 0.000 0.312 1121 I C 1.226 177.347 176.117 0.008 0.000 1.095 1121 I CA -0.929 60.375 61.300 0.008 0.000 1.000 1121 I CB 2.078 40.079 38.000 0.002 0.000 1.229 1121 I HN 0.039 nan 8.210 nan 0.000 0.454 1122 S N 2.120 117.823 115.700 0.006 0.000 2.356 1122 S HA -0.186 4.270 4.470 -0.024 0.000 0.223 1122 S C 1.858 176.461 174.600 0.004 0.000 1.032 1122 S CA 1.724 59.928 58.200 0.006 0.000 1.005 1122 S CB -0.432 62.771 63.200 0.004 0.000 0.867 1122 S HN 0.857 nan 8.310 nan 0.000 0.449 1123 R N 0.676 121.177 120.500 0.002 0.000 2.316 1123 R HA 0.283 4.608 4.340 -0.024 0.000 0.202 1123 R C 1.748 178.047 176.300 -0.002 0.000 1.029 1123 R CA 1.001 57.101 56.100 -0.000 0.000 1.018 1123 R CB -0.425 29.874 30.300 -0.002 0.000 0.888 1123 R HN 0.386 nan 8.270 nan 0.000 0.471 1124 A N 0.680 123.500 122.820 -0.000 0.000 2.348 1124 A HA 0.102 4.407 4.320 -0.024 0.000 0.224 1124 A C 1.667 179.252 177.584 0.002 0.000 1.227 1124 A CA -0.280 51.755 52.037 -0.003 0.000 0.885 1124 A CB 0.073 19.071 19.000 -0.004 0.000 0.933 1124 A HN 0.330 nan 8.150 nan 0.000 0.506 1125 Q N 0.396 120.201 119.800 0.007 0.000 2.096 1125 Q HA -0.181 4.144 4.340 -0.024 0.000 0.204 1125 Q C 2.228 178.236 176.000 0.012 0.000 0.982 1125 Q CA 1.947 57.758 55.803 0.014 0.000 0.850 1125 Q CB -0.229 28.518 28.738 0.014 0.000 0.901 1125 Q HN 0.816 nan 8.270 nan 0.000 0.422 1126 S N -0.361 115.340 115.700 0.003 0.000 2.547 1126 S HA -0.055 4.400 4.470 -0.024 0.000 0.235 1126 S C 1.361 175.953 174.600 -0.013 0.000 0.980 1126 S CA 0.654 58.852 58.200 -0.003 0.000 0.941 1126 S CB 0.070 63.266 63.200 -0.008 0.000 0.763 1126 S HN 0.205 nan 8.310 nan 0.000 0.532 1127 L N 0.830 122.044 121.223 -0.015 0.000 2.766 1127 L HA 0.421 4.747 4.340 -0.024 0.000 0.242 1127 L C 0.423 177.283 176.870 -0.016 0.000 1.136 1127 L CA 0.089 54.908 54.840 -0.035 0.000 0.933 1127 L CB 0.034 42.066 42.059 -0.045 0.000 1.241 1127 L HN 0.136 nan 8.230 nan 0.000 0.522 1128 D N 0.980 121.391 120.400 0.017 0.000 2.416 1128 D HA 0.224 4.849 4.640 -0.024 0.000 0.240 1128 D C 1.167 177.527 176.300 0.100 0.000 1.250 1128 D CA 0.343 54.372 54.000 0.048 0.000 0.967 1128 D CB 1.445 42.276 40.800 0.051 0.000 1.059 1128 D HN 0.183 nan 8.370 nan 0.000 0.512 1129 A N 4.338 127.239 122.820 0.135 0.000 1.968 1129 A HA -0.085 4.221 4.320 -0.024 0.000 0.217 1129 A C 2.302 180.091 177.584 0.343 0.000 1.169 1129 A CA 0.597 52.804 52.037 0.283 0.000 0.638 1129 A CB -0.254 18.946 19.000 0.332 0.000 0.812 1129 A HN 0.669 nan 8.150 nan 0.000 0.446 1130 L N -0.677 120.724 121.223 0.298 0.000 2.083 1130 L HA -0.153 4.172 4.340 -0.024 0.000 0.209 1130 L C 2.906 179.880 176.870 0.172 0.000 1.083 1130 L CA 1.552 56.545 54.840 0.254 0.000 0.752 1130 L CB -0.408 41.790 42.059 0.231 0.000 0.899 1130 L HN 0.514 nan 8.230 nan 0.000 0.433 1131 S N -0.916 114.869 115.700 0.143 0.000 2.371 1131 S HA -0.151 4.304 4.470 -0.024 0.000 0.224 1131 S C 2.239 176.902 174.600 0.104 0.000 1.029 1131 S CA 1.440 59.705 58.200 0.107 0.000 0.978 1131 S CB -0.051 63.200 63.200 0.084 0.000 0.833 1131 S HN 0.345 nan 8.310 nan 0.000 0.466 1132 S N 1.643 117.415 115.700 0.120 0.000 2.368 1132 S HA -0.131 4.324 4.470 -0.024 0.000 0.226 1132 S C 1.989 176.658 174.600 0.116 0.000 1.044 1132 S CA 1.813 60.084 58.200 0.119 0.000 1.062 1132 S CB -0.400 62.897 63.200 0.162 0.000 0.931 1132 S HN 0.464 nan 8.310 nan 0.000 0.440 1133 M N 0.785 120.467 119.600 0.136 0.000 2.175 1133 M HA 0.071 4.536 4.480 -0.024 0.000 0.264 1133 M C 2.426 178.773 176.300 0.079 0.000 1.063 1133 M CA 1.176 56.536 55.300 0.100 0.000 1.119 1133 M CB -1.731 30.918 32.600 0.082 0.000 1.377 1133 M HN 0.372 nan 8.290 nan 0.000 0.415 1134 A N 0.440 123.311 122.820 0.085 0.000 1.930 1134 A HA -0.172 4.133 4.320 -0.024 0.000 0.217 1134 A C 2.117 179.747 177.584 0.077 0.000 1.175 1134 A CA 1.801 53.883 52.037 0.075 0.000 0.627 1134 A CB -1.010 18.036 19.000 0.077 0.000 0.815 1134 A HN 0.617 nan 8.150 nan 0.000 0.443 1135 N N 0.026 118.773 118.700 0.078 0.000 2.120 1135 N HA -0.135 4.590 4.740 -0.024 0.000 0.188 1135 N C 1.789 177.354 175.510 0.091 0.000 1.024 1135 N CA 1.604 54.700 53.050 0.076 0.000 0.852 1135 N CB -0.180 38.342 38.487 0.059 0.000 1.003 1135 N HN 0.524 nan 8.380 nan 0.000 0.424 1136 I N 1.216 121.835 120.570 0.082 0.000 2.226 1136 I HA -0.224 3.932 4.170 -0.024 0.000 0.245 1136 I C 2.524 178.725 176.117 0.139 0.000 1.100 1136 I CA 1.037 62.395 61.300 0.097 0.000 1.374 1136 I CB -0.298 37.745 38.000 0.072 0.000 1.057 1136 I HN 0.164 nan 8.210 nan 0.000 0.413 1137 A N 0.687 123.567 122.820 0.100 0.000 1.933 1137 A HA -0.122 4.183 4.320 -0.024 0.000 0.218 1137 A C 2.397 180.034 177.584 0.088 0.000 1.175 1137 A CA 1.870 53.957 52.037 0.084 0.000 0.628 1137 A CB -1.290 17.744 19.000 0.057 0.000 0.814 1137 A HN 0.474 nan 8.150 nan 0.000 0.444 1138 G N -1.800 107.059 108.800 0.098 0.000 2.403 1138 G HA2 -0.190 3.755 3.960 -0.024 0.000 0.216 1138 G HA3 -0.190 3.755 3.960 -0.024 0.000 0.216 1138 G C 1.532 176.491 174.900 0.098 0.000 1.154 1138 G CA 1.136 46.287 45.100 0.085 0.000 0.784 1138 G HN 0.627 nan 8.290 nan 0.000 0.538 1139 Y N 1.412 121.722 120.300 0.016 0.000 2.163 1139 Y HA -0.058 4.470 4.550 -0.037 0.000 0.288 1139 Y C 2.854 178.751 175.900 -0.004 0.000 1.136 1139 Y CA 1.996 60.099 58.100 0.005 0.000 1.147 1139 Y CB -0.091 38.372 38.460 0.005 0.000 0.987 1139 Y HN 0.133 nan 8.280 nan 0.000 0.509 1140 R N 1.156 121.706 120.500 0.084 0.000 2.115 1140 R HA -0.044 4.281 4.340 -0.024 0.000 0.230 1140 R C 2.227 178.480 176.300 -0.078 0.000 1.111 1140 R CA 1.334 57.421 56.100 -0.022 0.000 0.976 1140 R CB -1.049 29.314 30.300 0.106 0.000 0.870 1140 R HN 0.479 nan 8.270 nan 0.000 0.445 1141 A N 0.596 123.398 122.820 -0.030 0.000 1.940 1141 A HA -0.119 4.187 4.320 -0.024 0.000 0.219 1141 A C 1.947 179.497 177.584 -0.057 0.000 1.176 1141 A CA 1.481 53.510 52.037 -0.014 0.000 0.631 1141 A CB -0.448 18.557 19.000 0.008 0.000 0.814 1141 A HN 0.272 nan 8.150 nan 0.000 0.446 1142 I N -0.309 120.182 120.570 -0.132 0.000 2.353 1142 I HA -0.119 4.036 4.170 -0.024 0.000 0.248 1142 I C 2.454 178.389 176.117 -0.303 0.000 1.119 1142 I CA 0.884 62.068 61.300 -0.192 0.000 1.417 1142 I CB -1.185 36.681 38.000 -0.222 0.000 1.078 1142 I HN 0.124 nan 8.210 nan 0.000 0.421 1143 V N 0.995 120.694 119.914 -0.358 0.000 2.343 1143 V HA -0.218 3.887 4.120 -0.024 0.000 0.247 1143 V C 2.532 178.562 176.094 -0.107 0.000 1.051 1143 V CA 1.563 63.689 62.300 -0.289 0.000 1.036 1143 V CB -0.525 31.104 31.823 -0.324 0.000 0.654 1143 V HN 0.385 nan 8.190 nan 0.000 0.451 1144 E N 0.210 120.380 120.200 -0.051 0.000 2.107 1144 E HA -0.117 4.218 4.350 -0.024 0.000 0.191 1144 E C 2.357 179.017 176.600 0.100 0.000 0.982 1144 E CA 1.352 57.789 56.400 0.061 0.000 0.809 1144 E CB -0.366 29.397 29.700 0.104 0.000 0.756 1144 E HN 0.580 nan 8.360 nan 0.000 0.459 1145 A N 1.684 124.535 122.820 0.053 0.000 1.898 1145 A HA -0.039 4.266 4.320 -0.024 0.000 0.216 1145 A C 2.441 180.147 177.584 0.203 0.000 1.181 1145 A CA 1.814 53.919 52.037 0.113 0.000 0.620 1145 A CB -0.532 18.542 19.000 0.124 0.000 0.819 1145 A HN 0.255 nan 8.150 nan 0.000 0.442 1146 A N -1.436 121.411 122.820 0.045 0.000 1.933 1146 A HA -0.229 4.076 4.320 -0.024 0.000 0.218 1146 A C 2.113 179.812 177.584 0.193 0.000 1.175 1146 A CA 1.708 53.788 52.037 0.073 0.000 0.628 1146 A CB -0.941 17.897 19.000 -0.270 0.000 0.814 1146 A HN 0.755 nan 8.150 nan 0.000 0.444 1147 H N -0.931 118.173 119.070 0.057 0.000 2.389 1147 H HA -0.043 4.500 4.556 -0.022 0.000 0.299 1147 H C 1.403 176.790 175.328 0.098 0.000 1.081 1147 H CA 1.500 57.587 56.048 0.066 0.000 1.345 1147 H CB 0.261 30.049 29.762 0.043 0.000 1.393 1147 H HN 0.399 nan 8.280 nan 0.000 0.520 1148 E N 0.045 120.335 120.200 0.150 0.000 2.385 1148 E HA -0.042 4.294 4.350 -0.024 0.000 0.194 1148 E C -0.000 176.701 176.600 0.168 0.000 1.013 1148 E CA -0.184 56.278 56.400 0.102 0.000 0.866 1148 E CB -0.205 29.570 29.700 0.126 0.000 0.832 1148 E HN 0.167 nan 8.360 nan 0.000 0.500 1149 F N 1.117 121.100 119.950 0.056 0.000 2.456 1149 F HA 0.315 4.828 4.527 -0.023 0.000 0.358 1149 F C 1.496 177.305 175.800 0.015 0.000 1.095 1149 F CA -0.358 57.680 58.000 0.064 0.000 1.216 1149 F CB 1.279 40.392 39.000 0.188 0.000 1.125 1149 F HN -0.112 nan 8.300 nan 0.000 0.549 1150 G N 5.721 114.297 108.800 -0.374 0.000 3.141 1150 G HA2 0.137 4.082 3.960 -0.024 0.000 0.218 1150 G HA3 0.137 4.082 3.960 -0.024 0.000 0.218 1150 G C 0.471 175.032 174.900 -0.565 0.000 1.170 1150 G CA -0.265 44.606 45.100 -0.381 0.000 0.769 1150 G HN 0.518 nan 8.290 nan 0.000 0.546 1151 R N -1.162 118.753 120.500 -0.975 0.000 2.919 1151 R HA 0.505 4.830 4.340 -0.024 0.000 0.260 1151 R C -0.954 175.217 176.300 -0.215 0.000 1.067 1151 R CA -0.993 54.693 56.100 -0.690 0.000 1.003 1151 R CB 1.129 30.973 30.300 -0.760 0.000 1.192 1151 R HN 0.019 nan 8.270 nan 0.000 0.488 1152 F N 1.091 121.020 119.950 -0.035 0.000 2.607 1152 F HA -0.009 4.503 4.527 -0.026 0.000 0.374 1152 F C 1.388 177.369 175.800 0.302 0.000 1.104 1152 F CA -0.020 58.058 58.000 0.130 0.000 1.296 1152 F CB 0.015 39.062 39.000 0.079 0.000 1.085 1152 F HN 0.474 nan 8.300 nan 0.000 0.584 1153 F N 0.622 120.798 119.950 0.378 0.000 2.234 1153 F HA -0.051 4.462 4.527 -0.024 0.000 0.296 1153 F C 1.491 177.388 175.800 0.162 0.000 1.089 1153 F CA 0.967 59.123 58.000 0.260 0.000 1.343 1153 F CB -0.257 38.836 39.000 0.154 0.000 1.040 1153 F HN 0.198 nan 8.300 nan 0.000 0.498 1154 T N 0.479 115.201 114.554 0.281 0.000 2.771 1154 T HA 0.456 4.791 4.350 -0.024 0.000 0.291 1154 T C 0.556 175.280 174.700 0.040 0.000 0.954 1154 T CA -0.417 61.746 62.100 0.104 0.000 1.045 1154 T CB 0.958 69.826 68.868 -0.000 0.000 0.917 1154 T HN 0.251 nan 8.240 nan 0.000 0.484 1155 G N 3.008 111.836 108.800 0.046 0.000 2.414 1155 G HA2 0.428 4.374 3.960 -0.024 0.000 0.236 1155 G HA3 0.428 4.374 3.960 -0.024 0.000 0.236 1155 G C -0.311 174.573 174.900 -0.026 0.000 1.293 1155 G CA -0.303 44.816 45.100 0.032 0.000 0.869 1155 G HN 0.794 nan 8.290 nan 0.000 0.556 1156 Q N 0.248 120.039 119.800 -0.015 0.000 2.687 1156 Q HA 0.444 4.770 4.340 -0.024 0.000 0.295 1156 Q C -1.501 174.503 176.000 0.008 0.000 0.920 1156 Q CA -1.091 54.687 55.803 -0.042 0.000 0.766 1156 Q CB 1.360 30.012 28.738 -0.144 0.000 1.467 1156 Q HN 0.353 nan 8.270 nan 0.000 0.415 1157 I N 2.293 122.864 120.570 0.002 0.000 2.362 1157 I HA 0.391 4.546 4.170 -0.024 0.000 0.289 1157 I C 0.194 176.325 176.117 0.023 0.000 0.994 1157 I CA -0.402 60.910 61.300 0.019 0.000 1.158 1157 I CB 1.246 39.253 38.000 0.012 0.000 1.315 1157 I HN 0.890 nan 8.210 nan 0.000 0.451 1158 T N 1.649 116.230 114.554 0.045 0.000 2.949 1158 T HA 0.609 4.944 4.350 -0.024 0.000 0.287 1158 T C 1.086 175.808 174.700 0.037 0.000 1.034 1158 T CA -0.297 61.833 62.100 0.050 0.000 1.018 1158 T CB 2.186 71.110 68.868 0.094 0.000 1.135 1158 T HN 0.544 nan 8.240 nan 0.000 0.532 1159 A N 0.456 123.296 122.820 0.032 0.000 2.019 1159 A HA 0.316 4.621 4.320 -0.024 0.000 0.219 1159 A C 2.182 179.780 177.584 0.023 0.000 1.164 1159 A CA 1.368 53.419 52.037 0.023 0.000 0.644 1159 A CB -1.231 17.781 19.000 0.019 0.000 0.805 1159 A HN 1.309 nan 8.150 nan 0.000 0.449 1160 A N -1.028 121.811 122.820 0.031 0.000 2.411 1160 A HA 0.515 4.820 4.320 -0.024 0.000 0.251 1160 A C 1.014 178.614 177.584 0.027 0.000 1.317 1160 A CA 0.832 52.883 52.037 0.024 0.000 0.904 1160 A CB -1.168 17.845 19.000 0.021 0.000 0.993 1160 A HN 1.977 nan 8.150 nan 0.000 0.504 1161 G N -0.547 108.273 108.800 0.032 0.000 2.440 1161 G HA2 0.056 4.001 3.960 -0.024 0.000 0.684 1161 G HA3 0.056 4.001 3.960 -0.024 0.000 0.684 1161 G C -0.613 174.314 174.900 0.045 0.000 1.309 1161 G CA -0.452 44.667 45.100 0.032 0.000 0.931 1161 G HN 0.540 nan 8.290 nan 0.000 0.612 1162 K N -0.004 120.419 120.400 0.038 0.000 2.258 1162 K HA 0.602 4.907 4.320 -0.024 0.000 0.284 1162 K C -0.088 176.547 176.600 0.059 0.000 1.051 1162 K CA -0.675 55.639 56.287 0.044 0.000 0.923 1162 K CB 1.069 33.587 32.500 0.030 0.000 1.046 1162 K HN 0.494 nan 8.250 nan 0.000 0.474 1163 V N 7.410 127.376 119.914 0.087 0.000 2.370 1163 V HA 0.322 4.427 4.120 -0.024 0.000 0.279 1163 V C -1.927 174.226 176.094 0.098 0.000 1.029 1163 V CA -1.890 60.484 62.300 0.123 0.000 0.870 1163 V CB 0.950 32.932 31.823 0.265 0.000 0.984 1163 V HN 0.880 nan 8.190 nan 0.000 0.451 1164 P HA 0.298 nan 4.420 nan 0.000 0.274 1164 P C -2.664 174.683 177.300 0.078 0.000 1.231 1164 P CA -1.632 61.505 63.100 0.061 0.000 0.790 1164 P CB 0.248 31.973 31.700 0.042 0.000 0.951 1165 P HA 0.089 nan 4.420 nan 0.000 0.272 1165 P C -0.255 177.055 177.300 0.016 0.000 1.223 1165 P CA -0.057 63.074 63.100 0.052 0.000 0.784 1165 P CB 0.331 32.051 31.700 0.033 0.000 0.923 1166 A N 3.094 125.891 122.820 -0.037 0.000 2.445 1166 A HA 0.195 4.501 4.320 -0.024 0.000 0.242 1166 A C 0.281 177.742 177.584 -0.204 0.000 1.075 1166 A CA -0.036 51.892 52.037 -0.181 0.000 0.777 1166 A CB -0.191 18.453 19.000 -0.593 0.000 1.013 1166 A HN 0.468 nan 8.150 nan 0.000 0.493 1167 K N 0.914 121.198 120.400 -0.193 0.000 2.235 1167 K HA 0.559 4.864 4.320 -0.024 0.000 0.266 1167 K C -1.391 175.092 176.600 -0.195 0.000 0.980 1167 K CA -0.447 55.755 56.287 -0.142 0.000 0.849 1167 K CB 1.932 34.383 32.500 -0.081 0.000 1.098 1167 K HN 0.394 nan 8.250 nan 0.000 0.445 1168 V N 4.205 124.036 119.914 -0.139 0.000 2.540 1168 V HA 0.408 4.513 4.120 -0.024 0.000 0.302 1168 V C -0.525 175.534 176.094 -0.058 0.000 1.035 1168 V CA -0.858 61.370 62.300 -0.120 0.000 0.873 1168 V CB 1.682 33.466 31.823 -0.065 0.000 0.992 1168 V HN 0.800 nan 8.190 nan 0.000 0.428 1169 M N 5.334 124.896 119.600 -0.063 0.000 2.294 1169 M HA 0.724 5.189 4.480 -0.024 0.000 0.335 1169 M C -1.731 174.543 176.300 -0.043 0.000 1.079 1169 M CA -0.455 54.821 55.300 -0.042 0.000 0.982 1169 M CB 1.742 34.307 32.600 -0.057 0.000 1.651 1169 M HN 0.453 nan 8.290 nan 0.000 0.437 1170 V N 6.643 126.550 119.914 -0.011 0.000 2.409 1170 V HA 0.481 4.586 4.120 -0.024 0.000 0.291 1170 V C -0.420 175.675 176.094 0.002 0.000 1.020 1170 V CA -0.558 61.739 62.300 -0.006 0.000 0.848 1170 V CB 1.710 33.550 31.823 0.028 0.000 0.990 1170 V HN 0.781 nan 8.190 nan 0.000 0.430 1171 I N 4.410 124.955 120.570 -0.042 0.000 2.330 1171 I HA 0.723 4.879 4.170 -0.024 0.000 0.289 1171 I C 0.644 176.771 176.117 0.015 0.000 1.001 1171 I CA -0.191 61.095 61.300 -0.024 0.000 1.193 1171 I CB 1.459 39.321 38.000 -0.229 0.000 1.345 1171 I HN 0.871 nan 8.210 nan 0.000 0.461 1172 G N 4.525 113.356 108.800 0.051 0.000 3.338 1172 G HA2 0.094 4.040 3.960 -0.024 0.000 0.686 1172 G HA3 0.094 4.040 3.960 -0.024 0.000 0.686 1172 G C -0.285 174.641 174.900 0.043 0.000 1.053 1172 G CA -0.285 44.837 45.100 0.036 0.000 0.852 1172 G HN 0.952 nan 8.290 nan 0.000 0.545 1173 A N 2.019 124.868 122.820 0.048 0.000 2.701 1173 A HA 0.788 5.093 4.320 -0.024 0.000 0.297 1173 A C 1.514 179.128 177.584 0.051 0.000 1.197 1173 A CA 1.136 53.212 52.037 0.066 0.000 0.963 1173 A CB -0.144 18.923 19.000 0.110 0.000 1.175 1173 A HN 2.177 nan 8.150 nan 0.000 0.531 1174 G N -0.738 108.088 108.800 0.043 0.000 2.447 1174 G HA2 0.276 4.221 3.960 -0.024 0.000 0.269 1174 G HA3 0.276 4.221 3.960 -0.024 0.000 0.269 1174 G C 1.155 176.084 174.900 0.048 0.000 1.455 1174 G CA 0.420 45.546 45.100 0.042 0.000 1.061 1174 G HN 0.192 nan 8.290 nan 0.000 0.545 1175 V N 0.813 120.757 119.914 0.051 0.000 2.343 1175 V HA -0.156 3.949 4.120 -0.024 0.000 0.247 1175 V C 3.276 179.406 176.094 0.059 0.000 1.051 1175 V CA 2.508 64.841 62.300 0.055 0.000 1.036 1175 V CB -1.000 30.860 31.823 0.061 0.000 0.654 1175 V HN 0.768 nan 8.190 nan 0.000 0.451 1176 A N 0.415 123.270 122.820 0.058 0.000 1.898 1176 A HA -0.044 4.261 4.320 -0.024 0.000 0.216 1176 A C 2.424 180.041 177.584 0.056 0.000 1.181 1176 A CA 1.830 53.902 52.037 0.058 0.000 0.620 1176 A CB -1.209 17.821 19.000 0.050 0.000 0.819 1176 A HN 0.512 nan 8.150 nan 0.000 0.442 1177 G N -0.098 108.732 108.800 0.050 0.000 2.418 1177 G HA2 -0.171 3.774 3.960 -0.024 0.000 0.217 1177 G HA3 -0.171 3.774 3.960 -0.024 0.000 0.217 1177 G C 1.555 176.491 174.900 0.059 0.000 1.158 1177 G CA 1.042 46.172 45.100 0.050 0.000 0.771 1177 G HN 0.422 nan 8.290 nan 0.000 0.545 1178 L N 0.665 121.925 121.223 0.060 0.000 2.083 1178 L HA -0.081 4.244 4.340 -0.024 0.000 0.209 1178 L C 3.395 180.306 176.870 0.067 0.000 1.083 1178 L CA 1.014 55.892 54.840 0.062 0.000 0.752 1178 L CB -0.355 41.736 42.059 0.054 0.000 0.899 1178 L HN 0.318 nan 8.230 nan 0.000 0.433 1179 A N -0.102 122.761 122.820 0.073 0.000 1.898 1179 A HA -0.128 4.178 4.320 -0.024 0.000 0.216 1179 A C 2.537 180.178 177.584 0.095 0.000 1.181 1179 A CA 1.595 53.687 52.037 0.093 0.000 0.620 1179 A CB -0.632 18.432 19.000 0.106 0.000 0.819 1179 A HN 0.392 nan 8.150 nan 0.000 0.442 1180 A N 0.074 122.938 122.820 0.074 0.000 1.877 1180 A HA -0.093 4.212 4.320 -0.024 0.000 0.216 1180 A C 2.099 179.721 177.584 0.064 0.000 1.186 1180 A CA 1.526 53.597 52.037 0.056 0.000 0.620 1180 A CB -0.665 18.361 19.000 0.044 0.000 0.822 1180 A HN 0.474 nan 8.150 nan 0.000 0.443 1181 I N -0.131 120.479 120.570 0.067 0.000 2.151 1181 I HA -0.279 3.877 4.170 -0.024 0.000 0.243 1181 I C 2.689 178.851 176.117 0.075 0.000 1.080 1181 I CA 1.385 62.728 61.300 0.073 0.000 1.339 1181 I CB -0.572 37.473 38.000 0.074 0.000 1.039 1181 I HN 0.408 nan 8.210 nan 0.000 0.409 1182 G N 0.080 108.926 108.800 0.076 0.000 2.433 1182 G HA2 -0.230 3.716 3.960 -0.024 0.000 0.216 1182 G HA3 -0.230 3.716 3.960 -0.024 0.000 0.216 1182 G C 1.848 176.798 174.900 0.083 0.000 1.186 1182 G CA 0.807 45.953 45.100 0.077 0.000 0.779 1182 G HN 0.504 nan 8.290 nan 0.000 0.543 1183 A N 1.121 123.994 122.820 0.089 0.000 1.902 1183 A HA 0.238 4.543 4.320 -0.024 0.000 0.217 1183 A C 2.801 180.405 177.584 0.033 0.000 1.181 1183 A CA 2.388 54.460 52.037 0.059 0.000 0.623 1183 A CB -0.771 18.227 19.000 -0.003 0.000 0.818 1183 A HN 0.799 nan 8.150 nan 0.000 0.443 1184 A N -0.172 122.692 122.820 0.073 0.000 1.898 1184 A HA -0.178 4.127 4.320 -0.024 0.000 0.216 1184 A C 2.079 179.757 177.584 0.157 0.000 1.181 1184 A CA 1.591 53.728 52.037 0.168 0.000 0.620 1184 A CB -0.657 18.463 19.000 0.200 0.000 0.819 1184 A HN 0.618 nan 8.150 nan 0.000 0.442 1185 N N 0.466 119.229 118.700 0.106 0.000 2.166 1185 N HA -0.170 4.556 4.740 -0.024 0.000 0.186 1185 N C 2.057 177.615 175.510 0.080 0.000 1.019 1185 N CA 1.906 55.009 53.050 0.088 0.000 0.856 1185 N CB -0.094 38.436 38.487 0.071 0.000 0.993 1185 N HN 0.555 nan 8.380 nan 0.000 0.426 1186 S N 0.754 116.497 115.700 0.072 0.000 2.382 1186 S HA -0.083 4.372 4.470 -0.024 0.000 0.228 1186 S C 2.021 176.656 174.600 0.059 0.000 1.027 1186 S CA 0.665 58.901 58.200 0.059 0.000 0.991 1186 S CB -0.645 62.590 63.200 0.059 0.000 0.823 1186 S HN 0.334 nan 8.310 nan 0.000 0.469 1187 L N 1.396 122.663 121.223 0.074 0.000 2.610 1187 L HA 0.238 4.564 4.340 -0.024 0.000 0.232 1187 L C 1.834 178.799 176.870 0.159 0.000 1.149 1187 L CA 0.398 55.300 54.840 0.104 0.000 0.872 1187 L CB -0.777 41.336 42.059 0.090 0.000 0.992 1187 L HN 0.671 nan 8.230 nan 0.000 0.447 1188 G N -0.353 108.520 108.800 0.122 0.000 2.143 1188 G HA2 -0.283 3.663 3.960 -0.024 0.000 0.249 1188 G HA3 -0.283 3.663 3.960 -0.024 0.000 0.249 1188 G C 0.432 175.393 174.900 0.101 0.000 0.981 1188 G CA 0.071 45.228 45.100 0.095 0.000 0.665 1188 G HN 0.527 nan 8.290 nan 0.000 0.528 1189 A N -0.512 122.390 122.820 0.137 0.000 2.346 1189 A HA 0.685 4.991 4.320 -0.024 0.000 0.252 1189 A C 0.617 178.222 177.584 0.035 0.000 1.089 1189 A CA 0.038 52.111 52.037 0.061 0.000 0.797 1189 A CB 0.366 19.398 19.000 0.053 0.000 1.047 1189 A HN 0.809 nan 8.150 nan 0.000 0.494 1190 I N 1.609 122.178 120.570 -0.002 0.000 2.301 1190 I HA 0.242 4.398 4.170 -0.024 0.000 0.292 1190 I C -0.682 175.434 176.117 -0.002 0.000 1.046 1190 I CA -0.165 61.139 61.300 0.005 0.000 1.282 1190 I CB 1.020 39.018 38.000 -0.003 0.000 1.409 1190 I HN 0.233 nan 8.210 nan 0.000 0.484 1191 V N 7.307 127.235 119.914 0.023 0.000 2.459 1191 V HA 0.521 4.627 4.120 -0.024 0.000 0.295 1191 V C 0.038 176.155 176.094 0.039 0.000 1.029 1191 V CA -0.702 61.615 62.300 0.029 0.000 0.874 1191 V CB 1.691 33.546 31.823 0.054 0.000 0.985 1191 V HN 0.681 nan 8.190 nan 0.000 0.438 1192 R N 2.420 122.938 120.500 0.031 0.000 2.750 1192 R HA 0.900 5.225 4.340 -0.024 0.000 0.281 1192 R C -0.891 175.440 176.300 0.052 0.000 0.972 1192 R CA -0.585 55.541 56.100 0.043 0.000 0.912 1192 R CB 2.381 32.695 30.300 0.023 0.000 1.187 1192 R HN 0.843 nan 8.270 nan 0.000 0.464 1193 A N 2.161 125.023 122.820 0.070 0.000 2.427 1193 A HA 0.609 4.915 4.320 -0.024 0.000 0.298 1193 A C -1.778 175.839 177.584 0.054 0.000 1.036 1193 A CA -0.541 51.548 52.037 0.087 0.000 0.701 1193 A CB 1.052 20.134 19.000 0.136 0.000 1.250 1193 A HN 0.608 nan 8.150 nan 0.000 0.412 1194 F N 2.280 122.185 119.950 -0.076 0.000 2.469 1194 F HA 0.680 5.192 4.527 -0.025 0.000 0.332 1194 F C -0.619 175.185 175.800 0.008 0.000 1.103 1194 F CA -0.541 57.376 58.000 -0.139 0.000 0.979 1194 F CB 1.500 40.530 39.000 0.049 0.000 1.137 1194 F HN 0.573 nan 8.300 nan 0.000 0.463 1195 D N 3.090 122.975 120.400 -0.859 0.000 2.934 1195 D HA 0.117 4.743 4.640 -0.024 0.000 0.230 1195 D C 0.680 176.512 176.300 -0.780 0.000 1.204 1195 D CA -0.004 53.662 54.000 -0.556 0.000 0.873 1195 D CB 2.497 43.281 40.800 -0.027 0.000 1.645 1195 D HN 0.718 nan 8.370 nan 0.000 0.502 1196 T N 1.228 115.495 114.554 -0.478 0.000 2.833 1196 T HA -0.092 4.244 4.350 -0.024 0.000 0.269 1196 T C 0.929 175.615 174.700 -0.023 0.000 1.054 1196 T CA 0.687 62.710 62.100 -0.128 0.000 1.135 1196 T CB -0.042 68.846 68.868 0.033 0.000 0.869 1196 T HN 0.285 nan 8.240 nan 0.000 0.466 1197 R N 2.887 123.374 120.500 -0.022 0.000 2.296 1197 R HA 0.216 4.542 4.340 -0.024 0.000 0.323 1197 R C -1.542 174.789 176.300 0.051 0.000 1.067 1197 R CA -1.495 54.612 56.100 0.012 0.000 0.946 1197 R CB 0.549 30.848 30.300 -0.003 0.000 0.991 1197 R HN 0.332 nan 8.270 nan 0.000 0.448 1198 P HA -0.114 nan 4.420 nan 0.000 0.226 1198 P C -0.065 177.157 177.300 -0.130 0.000 1.153 1198 P CA 0.961 64.071 63.100 0.017 0.000 0.777 1198 P CB 0.417 32.156 31.700 0.064 0.000 0.794 1199 E N 0.562 120.711 120.200 -0.084 0.000 2.204 1199 E HA -0.120 4.215 4.350 -0.024 0.000 0.195 1199 E C 1.886 178.398 176.600 -0.147 0.000 0.990 1199 E CA 1.304 57.648 56.400 -0.094 0.000 0.821 1199 E CB -1.055 28.617 29.700 -0.048 0.000 0.750 1199 E HN 0.262 nan 8.360 nan 0.000 0.477 1200 V N -0.501 119.304 119.914 -0.183 0.000 3.573 1200 V HA 0.020 4.125 4.120 -0.024 0.000 0.270 1200 V C 1.980 177.857 176.094 -0.361 0.000 1.221 1200 V CA 1.096 63.284 62.300 -0.186 0.000 1.163 1200 V CB -0.403 31.376 31.823 -0.074 0.000 0.847 1200 V HN 0.128 nan 8.190 nan 0.000 0.468 1201 K N 1.111 121.122 120.400 -0.648 0.000 2.097 1201 K HA -0.245 4.061 4.320 -0.024 0.000 0.206 1201 K C 2.013 178.391 176.600 -0.370 0.000 1.049 1201 K CA 2.251 57.981 56.287 -0.927 0.000 0.933 1201 K CB -0.176 31.748 32.500 -0.960 0.000 0.717 1201 K HN 0.525 nan 8.250 nan 0.000 0.442 1202 E N 0.423 120.488 120.200 -0.225 0.000 2.152 1202 E HA -0.147 4.188 4.350 -0.024 0.000 0.192 1202 E C 2.060 178.618 176.600 -0.069 0.000 0.983 1202 E CA 0.995 57.329 56.400 -0.110 0.000 0.818 1202 E CB 0.120 29.773 29.700 -0.078 0.000 0.758 1202 E HN 0.368 nan 8.360 nan 0.000 0.467 1203 Q N -0.261 119.494 119.800 -0.075 0.000 1.975 1203 Q HA -0.181 4.145 4.340 -0.024 0.000 0.205 1203 Q C 2.136 178.133 176.000 -0.005 0.000 0.990 1203 Q CA 2.007 57.791 55.803 -0.032 0.000 0.845 1203 Q CB -0.060 28.661 28.738 -0.027 0.000 0.913 1203 Q HN 0.168 nan 8.270 nan 0.000 0.420 1204 V N 0.974 120.888 119.914 -0.001 0.000 2.278 1204 V HA -0.359 3.746 4.120 -0.024 0.000 0.251 1204 V C 2.259 178.393 176.094 0.067 0.000 1.062 1204 V CA 2.318 64.660 62.300 0.069 0.000 1.038 1204 V CB -0.673 31.253 31.823 0.171 0.000 0.646 1204 V HN 0.472 nan 8.190 nan 0.000 0.447 1205 Q N 0.015 119.837 119.800 0.036 0.000 2.167 1205 Q HA -0.161 4.164 4.340 -0.024 0.000 0.202 1205 Q C 2.451 178.471 176.000 0.033 0.000 0.970 1205 Q CA 1.800 57.630 55.803 0.044 0.000 0.855 1205 Q CB -0.255 28.497 28.738 0.025 0.000 0.911 1205 Q HN 0.843 nan 8.270 nan 0.000 0.438 1206 S N 0.000 115.712 115.700 0.019 0.000 2.428 1206 S HA -0.054 4.401 4.470 -0.024 0.000 0.230 1206 S C 1.754 176.371 174.600 0.028 0.000 1.014 1206 S CA 0.706 58.917 58.200 0.019 0.000 0.957 1206 S CB -0.103 63.102 63.200 0.009 0.000 0.784 1206 S HN 0.280 nan 8.310 nan 0.000 0.499 1207 M N 0.947 120.568 119.600 0.037 0.000 2.563 1207 M HA 0.280 4.745 4.480 -0.024 0.000 0.231 1207 M C 1.457 177.788 176.300 0.051 0.000 1.136 1207 M CA 0.538 55.865 55.300 0.044 0.000 1.026 1207 M CB 0.083 32.714 32.600 0.050 0.000 1.597 1207 M HN 0.619 nan 8.290 nan 0.000 0.495 1208 G N 0.798 109.629 108.800 0.051 0.000 2.157 1208 G HA2 -0.166 3.779 3.960 -0.024 0.000 0.239 1208 G HA3 -0.166 3.779 3.960 -0.024 0.000 0.239 1208 G C 0.039 174.975 174.900 0.061 0.000 0.982 1208 G CA 0.021 45.152 45.100 0.051 0.000 0.650 1208 G HN 0.656 nan 8.290 nan 0.000 0.527 1209 A N -0.177 122.688 122.820 0.075 0.000 2.303 1209 A HA 0.748 5.053 4.320 -0.024 0.000 0.317 1209 A C 0.294 177.945 177.584 0.111 0.000 1.149 1209 A CA 0.028 52.118 52.037 0.088 0.000 0.822 1209 A CB 0.830 19.890 19.000 0.100 0.000 1.131 1209 A HN 0.501 nan 8.150 nan 0.000 0.493 1210 E N 1.202 121.463 120.200 0.102 0.000 2.290 1210 E HA 0.212 4.548 4.350 -0.024 0.000 0.277 1210 E C -1.364 175.341 176.600 0.174 0.000 1.035 1210 E CA -0.233 56.240 56.400 0.122 0.000 0.873 1210 E CB 0.355 30.102 29.700 0.078 0.000 1.029 1210 E HN 0.450 nan 8.360 nan 0.000 0.419 1211 F N 5.873 125.859 119.950 0.060 0.000 2.444 1211 F HA 0.204 4.714 4.527 -0.027 0.000 0.360 1211 F C -0.450 175.414 175.800 0.106 0.000 1.106 1211 F CA -0.441 57.605 58.000 0.077 0.000 1.170 1211 F CB 0.288 39.321 39.000 0.056 0.000 1.113 1211 F HN 0.393 nan 8.300 nan 0.000 0.521 1212 L N 6.554 127.580 121.223 -0.330 0.000 2.360 1212 L HA 0.210 4.535 4.340 -0.024 0.000 0.276 1212 L C 0.119 176.880 176.870 -0.181 0.000 1.121 1212 L CA -0.306 54.438 54.840 -0.161 0.000 0.845 1212 L CB 0.330 42.352 42.059 -0.061 0.000 1.143 1212 L HN 0.474 nan 8.230 nan 0.000 0.452 1213 E N 4.458 124.630 120.200 -0.046 0.000 2.214 1213 E HA 0.450 4.785 4.350 -0.024 0.000 0.274 1213 E C -0.428 176.137 176.600 -0.059 0.000 0.977 1213 E CA -0.709 55.703 56.400 0.020 0.000 0.827 1213 E CB 2.322 32.072 29.700 0.082 0.000 1.130 1213 E HN 0.438 nan 8.360 nan 0.000 0.394 1214 L N 1.941 123.118 121.223 -0.077 0.000 2.418 1214 L HA 0.079 4.405 4.340 -0.024 0.000 0.265 1214 L C 1.731 178.570 176.870 -0.052 0.000 1.143 1214 L CA -0.295 54.424 54.840 -0.201 0.000 0.809 1214 L CB 0.507 42.310 42.059 -0.426 0.000 1.124 1214 L HN 0.605 nan 8.230 nan 0.000 0.456 1215 D N 1.792 122.155 120.400 -0.062 0.000 2.120 1215 D HA -0.184 4.441 4.640 -0.024 0.000 0.216 1215 D C 0.694 177.082 176.300 0.148 0.000 0.999 1215 D CA 1.105 55.117 54.000 0.020 0.000 0.903 1215 D CB 0.174 40.962 40.800 -0.020 0.000 1.104 1215 D HN 0.355 nan 8.370 nan 0.000 0.466 1224 D N 0.943 121.372 120.400 0.048 0.000 2.411 1224 D HA 0.472 5.097 4.640 -0.024 0.000 0.251 1224 D C 1.747 178.085 176.300 0.063 0.000 1.201 1224 D CA 0.305 54.336 54.000 0.052 0.000 0.996 1224 D CB 0.437 41.264 40.800 0.044 0.000 1.101 1224 D HN 0.135 nan 8.370 nan 0.000 0.504 1225 G N -0.648 108.185 108.800 0.055 0.000 2.459 1225 G HA2 -0.361 3.584 3.960 -0.024 0.000 0.217 1225 G HA3 -0.361 3.584 3.960 -0.024 0.000 0.217 1225 G C 1.338 176.237 174.900 -0.002 0.000 1.183 1225 G CA 1.154 46.265 45.100 0.018 0.000 0.776 1225 G HN 0.601 nan 8.290 nan 0.000 0.552 1226 Y N 2.064 122.322 120.300 -0.069 0.000 2.069 1226 Y HA -0.208 4.327 4.550 -0.025 0.000 0.278 1226 Y C 2.984 178.836 175.900 -0.080 0.000 1.175 1226 Y CA 1.937 59.993 58.100 -0.073 0.000 1.134 1226 Y CB -0.524 37.913 38.460 -0.039 0.000 0.965 1226 Y HN 0.259 nan 8.280 nan 0.000 0.498 1227 A N 0.014 122.976 122.820 0.237 0.000 1.972 1227 A HA -0.164 4.141 4.320 -0.024 0.000 0.219 1227 A C 2.262 179.865 177.584 0.032 0.000 1.169 1227 A CA 1.736 53.861 52.037 0.146 0.000 0.635 1227 A CB -0.489 18.581 19.000 0.117 0.000 0.810 1227 A HN 0.494 nan 8.150 nan 0.000 0.446 1228 K N -0.166 120.224 120.400 -0.017 0.000 2.001 1228 K HA -0.103 4.202 4.320 -0.024 0.000 0.208 1228 K C 2.004 178.402 176.600 -0.337 0.000 1.048 1228 K CA 1.659 57.921 56.287 -0.041 0.000 0.932 1228 K CB -0.678 31.839 32.500 0.029 0.000 0.715 1228 K HN 0.532 nan 8.250 nan 0.000 0.437 1229 V N -0.798 118.718 119.914 -0.663 0.000 2.720 1229 V HA -0.164 3.941 4.120 -0.024 0.000 0.256 1229 V C 1.862 177.723 176.094 -0.390 0.000 1.082 1229 V CA 1.397 63.085 62.300 -1.021 0.000 1.101 1229 V CB -0.469 30.892 31.823 -0.770 0.000 0.693 1229 V HN 0.190 nan 8.190 nan 0.000 0.479 1230 M N 1.419 120.883 119.600 -0.226 0.000 2.509 1230 M HA 0.248 4.713 4.480 -0.024 0.000 0.250 1230 M C 1.231 177.542 176.300 0.020 0.000 1.132 1230 M CA 0.680 55.926 55.300 -0.088 0.000 1.080 1230 M CB -0.479 32.082 32.600 -0.066 0.000 1.408 1230 M HN 0.737 nan 8.290 nan 0.000 0.484 1231 S N 0.444 116.180 115.700 0.060 0.000 2.579 1231 S HA 0.079 4.534 4.470 -0.024 0.000 0.275 1231 S C 0.815 175.510 174.600 0.158 0.000 1.345 1231 S CA -0.446 57.830 58.200 0.126 0.000 1.031 1231 S CB 1.294 64.605 63.200 0.185 0.000 0.892 1231 S HN 0.246 nan 8.310 nan 0.000 0.529 1232 D N 1.749 122.225 120.400 0.127 0.000 2.144 1232 D HA -0.081 4.544 4.640 -0.024 0.000 0.199 1232 D C 2.211 178.598 176.300 0.145 0.000 0.984 1232 D CA 1.626 55.690 54.000 0.107 0.000 0.834 1232 D CB -0.596 40.246 40.800 0.071 0.000 0.955 1232 D HN 0.736 nan 8.370 nan 0.000 0.465 1233 A N 0.714 123.659 122.820 0.209 0.000 1.902 1233 A HA -0.190 4.115 4.320 -0.024 0.000 0.217 1233 A C 2.086 179.939 177.584 0.448 0.000 1.181 1233 A CA 1.033 53.250 52.037 0.300 0.000 0.623 1233 A CB -0.991 18.180 19.000 0.285 0.000 0.818 1233 A HN 0.241 nan 8.150 nan 0.000 0.443 1234 F N 0.350 120.468 119.950 0.280 0.000 2.146 1234 F HA -0.073 4.438 4.527 -0.026 0.000 0.298 1234 F C 1.949 177.643 175.800 -0.176 0.000 1.096 1234 F CA 1.655 59.550 58.000 -0.174 0.000 1.275 1234 F CB -0.112 38.759 39.000 -0.214 0.000 1.008 1234 F HN 0.150 nan 8.300 nan 0.000 0.480 1235 I N -0.018 120.641 120.570 0.149 0.000 2.614 1235 I HA -0.259 3.896 4.170 -0.024 0.000 0.258 1235 I C 2.290 178.352 176.117 -0.092 0.000 1.189 1235 I CA 1.163 62.481 61.300 0.030 0.000 1.462 1235 I CB -0.401 37.646 38.000 0.080 0.000 1.092 1235 I HN 0.136 nan 8.210 nan 0.000 0.442 1236 K N 1.052 121.418 120.400 -0.057 0.000 2.044 1236 K HA -0.034 4.271 4.320 -0.024 0.000 0.204 1236 K C 2.264 178.758 176.600 -0.176 0.000 1.049 1236 K CA 1.118 57.357 56.287 -0.080 0.000 0.945 1236 K CB -0.082 32.413 32.500 -0.009 0.000 0.724 1236 K HN 0.230 nan 8.250 nan 0.000 0.440 1237 A N 1.111 123.807 122.820 -0.206 0.000 1.972 1237 A HA -0.224 4.081 4.320 -0.024 0.000 0.219 1237 A C 1.957 179.184 177.584 -0.596 0.000 1.169 1237 A CA 1.797 53.637 52.037 -0.328 0.000 0.635 1237 A CB -0.441 18.373 19.000 -0.310 0.000 0.810 1237 A HN 0.517 nan 8.150 nan 0.000 0.446 1238 E N -0.927 118.821 120.200 -0.753 0.000 2.051 1238 E HA -0.118 4.217 4.350 -0.024 0.000 0.189 1238 E C 1.902 177.801 176.600 -1.169 0.000 0.979 1238 E CA 0.961 56.694 56.400 -1.111 0.000 0.803 1238 E CB -0.140 29.029 29.700 -0.885 0.000 0.761 1238 E HN 0.466 nan 8.360 nan 0.000 0.451 1239 M N 0.582 119.810 119.600 -0.619 0.000 2.229 1239 M HA -0.096 4.370 4.480 -0.024 0.000 0.264 1239 M C 1.805 177.939 176.300 -0.276 0.000 1.063 1239 M CA 1.324 56.411 55.300 -0.355 0.000 1.114 1239 M CB -0.659 31.854 32.600 -0.145 0.000 1.387 1239 M HN 0.142 nan 8.290 nan 0.000 0.420 1240 E N 0.387 120.408 120.200 -0.299 0.000 2.107 1240 E HA -0.089 4.247 4.350 -0.024 0.000 0.191 1240 E C 2.152 178.610 176.600 -0.236 0.000 0.982 1240 E CA 0.506 56.781 56.400 -0.207 0.000 0.809 1240 E CB -0.005 29.590 29.700 -0.175 0.000 0.756 1240 E HN 0.345 nan 8.360 nan 0.000 0.459 1241 L N 0.354 121.334 121.223 -0.405 0.000 2.042 1241 L HA -0.200 4.125 4.340 -0.024 0.000 0.210 1241 L C 1.922 178.691 176.870 -0.168 0.000 1.076 1241 L CA 1.593 56.202 54.840 -0.385 0.000 0.749 1241 L CB -0.215 41.423 42.059 -0.702 0.000 0.893 1241 L HN 0.158 nan 8.230 nan 0.000 0.432 1242 F N 0.198 120.011 119.950 -0.229 0.000 2.163 1242 F HA -0.016 4.498 4.527 -0.021 0.000 0.297 1242 F C 2.744 178.479 175.800 -0.109 0.000 1.094 1242 F CA 0.624 58.525 58.000 -0.165 0.000 1.290 1242 F CB -1.546 37.366 39.000 -0.147 0.000 1.017 1242 F HN 0.106 nan 8.300 nan 0.000 0.483 1243 A N 0.100 122.963 122.820 0.072 0.000 1.940 1243 A HA -0.049 4.256 4.320 -0.024 0.000 0.219 1243 A C 2.449 180.038 177.584 0.009 0.000 1.176 1243 A CA 1.955 54.009 52.037 0.029 0.000 0.631 1243 A CB -1.134 17.862 19.000 -0.007 0.000 0.814 1243 A HN 0.284 nan 8.150 nan 0.000 0.446 1244 A N -1.538 121.274 122.820 -0.014 0.000 1.930 1244 A HA -0.068 4.237 4.320 -0.024 0.000 0.215 1244 A C 2.122 179.699 177.584 -0.011 0.000 1.176 1244 A CA 1.313 53.337 52.037 -0.022 0.000 0.632 1244 A CB -0.355 18.618 19.000 -0.045 0.000 0.819 1244 A HN 0.456 nan 8.150 nan 0.000 0.445 1245 Q N -0.239 119.563 119.800 0.003 0.000 2.079 1245 Q HA -0.112 4.214 4.340 -0.024 0.000 0.200 1245 Q C 2.439 178.437 176.000 -0.004 0.000 0.974 1245 Q CA 1.523 57.328 55.803 0.003 0.000 0.840 1245 Q CB -0.782 27.971 28.738 0.024 0.000 0.898 1245 Q HN 0.629 nan 8.270 nan 0.000 0.430 1246 A N 1.674 124.498 122.820 0.007 0.000 1.927 1246 A HA -0.250 4.055 4.320 -0.024 0.000 0.220 1246 A C 2.075 179.657 177.584 -0.004 0.000 1.185 1246 A CA 1.894 53.930 52.037 -0.001 0.000 0.639 1246 A CB -0.442 18.567 19.000 0.016 0.000 0.820 1246 A HN 0.293 nan 8.150 nan 0.000 0.451 1247 K N -0.657 119.742 120.400 -0.002 0.000 2.211 1247 K HA -0.151 4.154 4.320 -0.024 0.000 0.203 1247 K C 1.777 178.373 176.600 -0.007 0.000 1.050 1247 K CA 1.536 57.821 56.287 -0.003 0.000 0.945 1247 K CB -0.050 32.448 32.500 -0.004 0.000 0.732 1247 K HN 0.910 nan 8.250 nan 0.000 0.451 1248 E N 0.282 120.474 120.200 -0.012 0.000 2.490 1248 E HA 0.012 4.347 4.350 -0.024 0.000 0.209 1248 E C 0.440 177.026 176.600 -0.024 0.000 0.971 1248 E CA -0.200 56.192 56.400 -0.014 0.000 0.988 1248 E CB 0.420 30.112 29.700 -0.013 0.000 1.029 1248 E HN 0.021 nan 8.360 nan 0.000 0.496 1249 V N -0.775 119.118 119.914 -0.036 0.000 2.863 1249 V HA 0.253 4.358 4.120 -0.024 0.000 0.307 1249 V C 0.303 176.351 176.094 -0.077 0.000 1.061 1249 V CA -0.473 61.789 62.300 -0.064 0.000 1.024 1249 V CB 1.793 33.571 31.823 -0.074 0.000 1.049 1249 V HN -0.020 nan 8.190 nan 0.000 0.471 1250 D N 1.022 121.340 120.400 -0.138 0.000 2.324 1250 D HA 0.222 4.848 4.640 -0.024 0.000 0.212 1250 D C 0.269 176.388 176.300 -0.303 0.000 0.984 1250 D CA 0.995 54.886 54.000 -0.182 0.000 0.885 1250 D CB 0.674 41.328 40.800 -0.243 0.000 0.996 1250 D HN 0.398 nan 8.370 nan 0.000 0.505 1251 I N 1.671 122.046 120.570 -0.325 0.000 2.498 1251 I HA 0.378 4.533 4.170 -0.024 0.000 0.290 1251 I C -0.231 175.796 176.117 -0.150 0.000 1.032 1251 I CA -0.718 60.419 61.300 -0.272 0.000 1.073 1251 I CB 2.097 39.905 38.000 -0.319 0.000 1.251 1251 I HN -0.220 nan 8.210 nan 0.000 0.426 1252 I N 5.765 126.271 120.570 -0.107 0.000 2.436 1252 I HA 0.427 4.582 4.170 -0.024 0.000 0.289 1252 I C -0.470 175.605 176.117 -0.070 0.000 1.010 1252 I CA -0.912 60.332 61.300 -0.093 0.000 1.098 1252 I CB 2.379 40.317 38.000 -0.104 0.000 1.266 1252 I HN 0.112 nan 8.210 nan 0.000 0.434 1253 V N 4.832 124.711 119.914 -0.058 0.000 2.347 1253 V HA 0.375 4.481 4.120 -0.024 0.000 0.280 1253 V C 0.190 176.250 176.094 -0.058 0.000 1.021 1253 V CA -0.448 61.829 62.300 -0.039 0.000 0.847 1253 V CB 1.634 33.452 31.823 -0.010 0.000 0.990 1253 V HN 0.833 nan 8.190 nan 0.000 0.444 1254 T N 0.365 114.883 114.554 -0.060 0.000 2.794 1254 T HA 0.506 4.842 4.350 -0.024 0.000 0.280 1254 T C 0.504 175.184 174.700 -0.033 0.000 0.987 1254 T CA -0.063 61.995 62.100 -0.069 0.000 0.993 1254 T CB 1.492 70.306 68.868 -0.089 0.000 0.939 1254 T HN 0.772 nan 8.240 nan 0.000 0.449 1255 T N -1.833 112.709 114.554 -0.020 0.000 3.275 1255 T HA 0.480 4.816 4.350 -0.024 0.000 0.298 1255 T C 0.618 175.322 174.700 0.007 0.000 0.988 1255 T CA -0.262 61.838 62.100 0.000 0.000 0.936 1255 T CB -0.148 68.729 68.868 0.014 0.000 1.159 1255 T HN 0.895 nan 8.240 nan 0.000 0.519 1256 A N 2.000 124.823 122.820 0.004 0.000 2.671 1256 A HA 0.682 4.987 4.320 -0.024 0.000 0.306 1256 A C -0.424 177.164 177.584 0.007 0.000 1.473 1256 A CA -0.427 51.621 52.037 0.017 0.000 1.155 1256 A CB -0.461 18.560 19.000 0.034 0.000 1.123 1256 A HN 0.596 nan 8.150 nan 0.000 0.545 1257 L N 4.594 125.821 121.223 0.007 0.000 2.438 1257 L HA 0.609 4.934 4.340 -0.024 0.000 0.270 1257 L C -1.280 175.591 176.870 0.003 0.000 0.972 1257 L CA -0.378 54.457 54.840 -0.008 0.000 0.831 1257 L CB 1.648 43.694 42.059 -0.021 0.000 1.273 1257 L HN 0.494 nan 8.230 nan 0.000 0.405 1258 I N 5.546 126.114 120.570 -0.004 0.000 2.436 1258 I HA 0.433 4.588 4.170 -0.024 0.000 0.289 1258 I C -2.237 173.868 176.117 -0.020 0.000 1.010 1258 I CA -2.071 59.236 61.300 0.013 0.000 1.098 1258 I CB 1.515 39.533 38.000 0.031 0.000 1.266 1258 I HN 0.427 nan 8.210 nan 0.000 0.434 1259 P HA 0.150 nan 4.420 nan 0.000 0.264 1259 P C 0.985 178.245 177.300 -0.067 0.000 1.183 1259 P CA 0.882 63.906 63.100 -0.126 0.000 0.763 1259 P CB 0.589 32.240 31.700 -0.081 0.000 0.807 1260 G N 1.974 110.700 108.800 -0.123 0.000 2.225 1260 G HA2 -0.238 3.708 3.960 -0.024 0.000 0.254 1260 G HA3 -0.238 3.708 3.960 -0.024 0.000 0.254 1260 G C -0.084 174.796 174.900 -0.034 0.000 0.988 1260 G CA -0.077 44.986 45.100 -0.061 0.000 0.625 1260 G HN 0.566 nan 8.290 nan 0.000 0.527 1261 K N 1.515 121.896 120.400 -0.032 0.000 2.207 1261 K HA 0.542 4.848 4.320 -0.024 0.000 0.255 1261 K C -2.599 173.983 176.600 -0.031 0.000 0.941 1261 K CA -2.025 54.252 56.287 -0.016 0.000 0.825 1261 K CB 2.443 34.945 32.500 0.004 0.000 1.119 1261 K HN 0.041 nan 8.250 nan 0.000 0.430 1262 P HA -0.033 nan 4.420 nan 0.000 0.267 1262 P C -0.842 176.444 177.300 -0.023 0.000 1.200 1262 P CA -0.188 62.894 63.100 -0.030 0.000 0.772 1262 P CB 0.561 32.247 31.700 -0.024 0.000 0.855 1263 A N 4.621 127.424 122.820 -0.028 0.000 2.354 1263 A HA 0.494 4.799 4.320 -0.024 0.000 0.269 1263 A C -2.030 175.547 177.584 -0.010 0.000 1.109 1263 A CA -1.476 50.548 52.037 -0.021 0.000 0.800 1263 A CB -0.874 18.108 19.000 -0.029 0.000 1.045 1263 A HN 0.415 nan 8.150 nan 0.000 0.489 1264 P HA 0.107 nan 4.420 nan 0.000 0.268 1264 P C -0.841 176.468 177.300 0.015 0.000 1.204 1264 P CA 0.000 63.111 63.100 0.017 0.000 0.768 1264 P CB 0.461 32.186 31.700 0.041 0.000 0.842 1265 K N 4.009 124.415 120.400 0.010 0.000 2.183 1265 K HA 0.178 4.483 4.320 -0.024 0.000 0.272 1265 K C 0.896 177.516 176.600 0.034 0.000 1.113 1265 K CA -0.166 56.123 56.287 0.003 0.000 0.949 1265 K CB 0.128 32.616 32.500 -0.019 0.000 1.365 1265 K HN 0.492 nan 8.250 nan 0.000 0.420 1266 L N 1.577 122.830 121.223 0.051 0.000 2.416 1266 L HA 0.217 4.542 4.340 -0.024 0.000 0.216 1266 L C 0.778 177.709 176.870 0.102 0.000 1.098 1266 L CA 0.493 55.410 54.840 0.128 0.000 0.840 1266 L CB 0.082 42.229 42.059 0.147 0.000 0.981 1266 L HN 0.387 nan 8.230 nan 0.000 0.462 1267 I N 0.773 121.351 120.570 0.013 0.000 2.382 1267 I HA 0.195 4.350 4.170 -0.024 0.000 0.285 1267 I C 0.288 176.409 176.117 0.008 0.000 1.007 1267 I CA -0.395 60.910 61.300 0.009 0.000 1.142 1267 I CB 1.605 39.586 38.000 -0.030 0.000 1.289 1267 I HN 0.035 nan 8.210 nan 0.000 0.453 1268 T N 1.609 116.170 114.554 0.011 0.000 2.874 1268 T HA 0.349 4.684 4.350 -0.024 0.000 0.281 1268 T C 1.218 175.888 174.700 -0.049 0.000 0.994 1268 T CA -0.585 61.493 62.100 -0.037 0.000 1.015 1268 T CB 1.602 70.453 68.868 -0.029 0.000 1.028 1268 T HN 0.527 nan 8.240 nan 0.000 0.523 1269 R N 0.541 120.921 120.500 -0.200 0.000 2.140 1269 R HA -0.184 4.141 4.340 -0.024 0.000 0.250 1269 R C 2.343 178.667 176.300 0.040 0.000 1.150 1269 R CA 2.340 58.248 56.100 -0.321 0.000 0.966 1269 R CB -0.406 29.574 30.300 -0.533 0.000 0.869 1269 R HN 0.778 nan 8.270 nan 0.000 0.445 1270 E N -0.167 120.038 120.200 0.009 0.000 2.106 1270 E HA -0.131 4.205 4.350 -0.024 0.000 0.192 1270 E C 1.937 178.574 176.600 0.062 0.000 0.984 1270 E CA 1.263 57.689 56.400 0.043 0.000 0.806 1270 E CB -0.086 29.620 29.700 0.011 0.000 0.750 1270 E HN 0.308 nan 8.360 nan 0.000 0.458 1271 M N 0.171 119.804 119.600 0.056 0.000 2.086 1271 M HA -0.159 4.307 4.480 -0.024 0.000 0.261 1271 M C 2.167 178.515 176.300 0.080 0.000 1.067 1271 M CA 1.151 56.486 55.300 0.058 0.000 1.116 1271 M CB -0.245 32.388 32.600 0.054 0.000 1.348 1271 M HN 0.021 nan 8.290 nan 0.000 0.407 1272 V N 0.164 120.161 119.914 0.137 0.000 2.407 1272 V HA -0.250 3.855 4.120 -0.024 0.000 0.248 1272 V C 1.648 177.813 176.094 0.118 0.000 1.055 1272 V CA 1.725 64.116 62.300 0.152 0.000 1.049 1272 V CB -0.872 31.121 31.823 0.283 0.000 0.662 1272 V HN 0.388 nan 8.190 nan 0.000 0.455 1273 D N 0.694 121.198 120.400 0.172 0.000 2.221 1273 D HA -0.127 4.498 4.640 -0.024 0.000 0.204 1273 D C 2.324 178.657 176.300 0.056 0.000 0.982 1273 D CA 1.780 55.848 54.000 0.114 0.000 0.857 1273 D CB -0.178 40.703 40.800 0.135 0.000 0.934 1273 D HN 0.626 nan 8.370 nan 0.000 0.475 1274 S N -0.913 114.817 115.700 0.049 0.000 2.603 1274 S HA 0.054 4.509 4.470 -0.024 0.000 0.220 1274 S C 0.924 175.533 174.600 0.016 0.000 0.967 1274 S CA -0.258 57.958 58.200 0.027 0.000 0.920 1274 S CB -0.138 63.076 63.200 0.023 0.000 0.773 1274 S HN 0.053 nan 8.310 nan 0.000 0.529 1275 M N 1.855 121.465 119.600 0.017 0.000 2.250 1275 M HA 0.292 4.757 4.480 -0.024 0.000 0.344 1275 M C 0.282 176.583 176.300 0.001 0.000 1.150 1275 M CA -0.319 54.984 55.300 0.006 0.000 1.147 1275 M CB 0.604 33.206 32.600 0.003 0.000 1.498 1275 M HN 0.022 nan 8.290 nan 0.000 0.461 1276 K N 1.677 122.079 120.400 0.003 0.000 2.530 1276 K HA 0.115 4.421 4.320 -0.024 0.000 0.280 1276 K C -0.148 176.454 176.600 0.004 0.000 1.004 1276 K CA -0.305 55.985 56.287 0.005 0.000 1.071 1276 K CB 0.417 32.927 32.500 0.016 0.000 0.876 1276 K HN 0.764 nan 8.250 nan 0.000 0.487 1277 A N 2.655 125.469 122.820 -0.010 0.000 2.561 1277 A HA 0.301 4.606 4.320 -0.024 0.000 0.234 1277 A C 1.315 178.897 177.584 -0.003 0.000 1.055 1277 A CA 0.769 52.794 52.037 -0.020 0.000 0.756 1277 A CB -0.378 18.601 19.000 -0.035 0.000 0.986 1277 A HN 1.026 nan 8.150 nan 0.000 0.505 1278 G N 1.518 110.318 108.800 0.000 0.000 2.179 1278 G HA2 -0.231 3.714 3.960 -0.024 0.000 0.260 1278 G HA3 -0.231 3.714 3.960 -0.024 0.000 0.260 1278 G C 0.595 175.602 174.900 0.179 0.000 0.977 1278 G CA 0.484 45.609 45.100 0.042 0.000 0.641 1278 G HN 1.288 nan 8.290 nan 0.000 0.533 1279 S N -0.766 115.009 115.700 0.125 0.000 2.576 1279 S HA 0.503 4.959 4.470 -0.024 0.000 0.272 1279 S C 0.381 175.013 174.600 0.053 0.000 1.352 1279 S CA 0.284 58.542 58.200 0.097 0.000 1.021 1279 S CB 2.064 65.274 63.200 0.016 0.000 0.887 1279 S HN 0.892 nan 8.310 nan 0.000 0.542 1280 V N 2.358 122.260 119.914 -0.020 0.000 2.656 1280 V HA 0.505 4.610 4.120 -0.024 0.000 0.307 1280 V C -0.504 175.561 176.094 -0.048 0.000 1.051 1280 V CA -0.570 61.720 62.300 -0.017 0.000 0.893 1280 V CB 1.649 33.475 31.823 0.005 0.000 0.999 1280 V HN 0.728 nan 8.190 nan 0.000 0.426 1281 I N 4.049 124.602 120.570 -0.028 0.000 2.436 1281 I HA 0.505 4.661 4.170 -0.024 0.000 0.289 1281 I C -0.842 175.259 176.117 -0.026 0.000 1.010 1281 I CA -0.834 60.447 61.300 -0.031 0.000 1.098 1281 I CB 2.157 40.148 38.000 -0.016 0.000 1.266 1281 I HN 0.297 nan 8.210 nan 0.000 0.434 1282 V N 4.426 124.324 119.914 -0.026 0.000 2.357 1282 V HA 0.291 4.396 4.120 -0.024 0.000 0.284 1282 V C -0.429 175.652 176.094 -0.023 0.000 1.018 1282 V CA -0.503 61.785 62.300 -0.019 0.000 0.841 1282 V CB 1.589 33.412 31.823 -0.001 0.000 0.991 1282 V HN 0.613 nan 8.190 nan 0.000 0.437 1283 D N 4.584 124.969 120.400 -0.025 0.000 2.485 1283 D HA 0.308 4.933 4.640 -0.024 0.000 0.229 1283 D C 0.806 177.096 176.300 -0.016 0.000 1.101 1283 D CA -0.319 53.665 54.000 -0.026 0.000 0.906 1283 D CB 1.135 41.919 40.800 -0.028 0.000 1.019 1283 D HN 0.467 nan 8.370 nan 0.000 0.516 1284 L N 1.746 122.963 121.223 -0.010 0.000 2.675 1284 L HA 0.119 4.444 4.340 -0.024 0.000 0.238 1284 L C 1.417 178.279 176.870 -0.013 0.000 1.155 1284 L CA 0.221 55.060 54.840 -0.002 0.000 0.881 1284 L CB -0.228 41.835 42.059 0.007 0.000 1.008 1284 L HN 0.318 nan 8.230 nan 0.000 0.443 1285 A N -0.637 122.169 122.820 -0.023 0.000 2.574 1285 A HA 0.520 4.826 4.320 -0.024 0.000 0.283 1285 A C 2.003 179.563 177.584 -0.039 0.000 1.270 1285 A CA 0.489 52.507 52.037 -0.033 0.000 0.945 1285 A CB 0.061 19.044 19.000 -0.029 0.000 1.127 1285 A HN 0.258 nan 8.150 nan 0.000 0.522 1286 A N 0.689 123.489 122.820 -0.032 0.000 2.019 1286 A HA -0.192 4.113 4.320 -0.024 0.000 0.219 1286 A C 2.104 179.662 177.584 -0.043 0.000 1.164 1286 A CA 1.513 53.529 52.037 -0.034 0.000 0.644 1286 A CB -0.427 18.560 19.000 -0.022 0.000 0.805 1286 A HN 0.730 nan 8.150 nan 0.000 0.449 1287 Q N -0.773 118.995 119.800 -0.054 0.000 2.226 1287 Q HA -0.124 4.201 4.340 -0.024 0.000 0.204 1287 Q C 0.027 175.969 176.000 -0.096 0.000 0.975 1287 Q CA 1.423 57.178 55.803 -0.080 0.000 0.866 1287 Q CB -0.429 28.242 28.738 -0.111 0.000 0.915 1287 Q HN 0.504 nan 8.270 nan 0.000 0.440 1288 N N 0.094 118.741 118.700 -0.088 0.000 2.380 1288 N HA 0.229 4.955 4.740 -0.024 0.000 0.255 1288 N C 0.219 175.692 175.510 -0.062 0.000 1.158 1288 N CA 0.684 53.683 53.050 -0.085 0.000 0.878 1288 N CB 1.133 39.563 38.487 -0.094 0.000 1.138 1288 N HN 0.510 nan 8.380 nan 0.000 0.509 1289 G N -0.728 108.038 108.800 -0.057 0.000 2.234 1289 G HA2 -0.077 3.869 3.960 -0.024 0.000 0.235 1289 G HA3 -0.077 3.869 3.960 -0.024 0.000 0.235 1289 G C 0.415 175.286 174.900 -0.048 0.000 0.997 1289 G CA 0.118 45.188 45.100 -0.051 0.000 0.623 1289 G HN 0.897 nan 8.290 nan 0.000 0.514 1290 G N -0.791 107.983 108.800 -0.044 0.000 2.719 1290 G HA2 0.015 3.960 3.960 -0.024 0.000 0.686 1290 G HA3 0.015 3.960 3.960 -0.024 0.000 0.686 1290 G C 0.150 175.029 174.900 -0.034 0.000 1.201 1290 G CA 0.439 45.516 45.100 -0.038 0.000 0.768 1290 G HN 0.965 nan 8.290 nan 0.000 0.629 1291 N N -0.819 117.862 118.700 -0.031 0.000 2.494 1291 N HA 0.102 4.827 4.740 -0.024 0.000 0.182 1291 N C 0.985 176.476 175.510 -0.031 0.000 1.076 1291 N CA 0.907 53.940 53.050 -0.029 0.000 0.908 1291 N CB 0.353 38.816 38.487 -0.040 0.000 0.967 1291 N HN 0.684 nan 8.380 nan 0.000 0.449 1292 C N 0.679 119.962 119.300 -0.027 0.000 2.355 1292 C HA 0.225 4.671 4.460 -0.024 0.000 0.332 1292 C C 1.459 176.431 174.990 -0.029 0.000 1.255 1292 C CA -0.657 58.355 59.018 -0.011 0.000 1.792 1292 C CB 0.808 28.560 27.740 0.020 0.000 2.300 1292 C HN 0.411 nan 8.230 nan 0.000 0.515 1293 E N 1.978 122.139 120.200 -0.065 0.000 2.274 1293 E HA -0.122 4.213 4.350 -0.024 0.000 0.194 1293 E C 0.364 176.845 176.600 -0.198 0.000 0.996 1293 E CA 1.268 57.576 56.400 -0.153 0.000 0.840 1293 E CB 0.090 29.653 29.700 -0.228 0.000 0.772 1293 E HN 0.855 nan 8.360 nan 0.000 0.491 1294 Y N 1.068 121.310 120.300 -0.097 0.000 2.544 1294 Y HA 0.032 4.566 4.550 -0.026 0.000 0.286 1294 Y C 0.942 176.689 175.900 -0.254 0.000 1.141 1294 Y CA 0.354 58.351 58.100 -0.173 0.000 1.299 1294 Y CB 0.204 38.667 38.460 0.006 0.000 1.030 1294 Y HN -0.215 nan 8.280 nan 0.000 0.543 1295 T N 1.374 115.920 114.554 -0.012 0.000 2.902 1295 T HA 0.201 4.537 4.350 -0.024 0.000 0.301 1295 T C -0.169 174.469 174.700 -0.102 0.000 1.012 1295 T CA 0.112 62.189 62.100 -0.038 0.000 1.151 1295 T CB 0.567 69.416 68.868 -0.031 0.000 0.946 1295 T HN -0.236 nan 8.240 nan 0.000 0.542 1296 V N 8.092 127.956 119.914 -0.084 0.000 2.293 1296 V HA 0.271 4.377 4.120 -0.024 0.000 0.275 1296 V C -2.159 173.916 176.094 -0.032 0.000 1.021 1296 V CA -2.173 60.083 62.300 -0.074 0.000 0.815 1296 V CB 0.926 32.716 31.823 -0.054 0.000 1.025 1296 V HN 0.687 nan 8.190 nan 0.000 0.448 1297 P HA 0.231 nan 4.420 nan 0.000 0.265 1297 P C 1.071 178.383 177.300 0.021 0.000 1.193 1297 P CA 1.286 64.379 63.100 -0.011 0.000 0.765 1297 P CB 0.707 32.395 31.700 -0.019 0.000 0.823 1298 G N 1.543 110.381 108.800 0.063 0.000 2.175 1298 G HA2 -0.189 3.757 3.960 -0.024 0.000 0.244 1298 G HA3 -0.189 3.757 3.960 -0.024 0.000 0.244 1298 G C -0.173 174.844 174.900 0.194 0.000 0.982 1298 G CA -0.148 45.038 45.100 0.144 0.000 0.641 1298 G HN 0.581 nan 8.290 nan 0.000 0.527 1299 E N -0.853 119.368 120.200 0.035 0.000 2.433 1299 E HA 0.654 4.989 4.350 -0.024 0.000 0.278 1299 E C -0.796 175.678 176.600 -0.210 0.000 0.976 1299 E CA -1.184 55.209 56.400 -0.013 0.000 0.793 1299 E CB 1.825 31.562 29.700 0.060 0.000 1.311 1299 E HN 0.172 nan 8.360 nan 0.000 0.460 1300 I N 1.760 122.226 120.570 -0.174 0.000 2.315 1300 I HA 0.263 4.418 4.170 -0.024 0.000 0.291 1300 I C -0.821 175.310 176.117 0.023 0.000 1.006 1300 I CA -0.543 60.672 61.300 -0.142 0.000 1.265 1300 I CB 0.452 38.371 38.000 -0.135 0.000 1.387 1300 I HN 0.349 nan 8.210 nan 0.000 0.475 1301 F N 5.683 125.572 119.950 -0.102 0.000 2.415 1301 F HA 0.410 4.921 4.527 -0.026 0.000 0.348 1301 F C 0.094 175.833 175.800 -0.101 0.000 1.119 1301 F CA -0.259 57.696 58.000 -0.074 0.000 1.069 1301 F CB 1.300 40.273 39.000 -0.044 0.000 1.124 1301 F HN 0.286 nan 8.300 nan 0.000 0.472 1302 T N 4.750 118.868 114.554 -0.726 0.000 2.749 1302 T HA 0.305 4.641 4.350 -0.024 0.000 0.287 1302 T C 0.235 174.429 174.700 -0.843 0.000 0.970 1302 T CA -0.550 61.206 62.100 -0.573 0.000 0.980 1302 T CB 0.712 69.358 68.868 -0.370 0.000 0.924 1302 T HN 0.743 nan 8.240 nan 0.000 0.456 1303 T N 0.733 114.948 114.554 -0.565 0.000 2.726 1303 T HA 0.234 4.570 4.350 -0.024 0.000 0.294 1303 T C 1.279 175.791 174.700 -0.313 0.000 1.013 1303 T CA -0.570 61.232 62.100 -0.497 0.000 0.996 1303 T CB 0.868 69.419 68.868 -0.528 0.000 1.016 1303 T HN 0.609 nan 8.240 nan 0.000 0.529 1304 E N 0.761 120.843 120.200 -0.197 0.000 2.106 1304 E HA -0.165 4.171 4.350 -0.024 0.000 0.192 1304 E C 1.766 178.309 176.600 -0.094 0.000 0.984 1304 E CA 1.088 57.423 56.400 -0.108 0.000 0.806 1304 E CB -0.120 29.562 29.700 -0.029 0.000 0.750 1304 E HN 0.782 nan 8.360 nan 0.000 0.458 1305 N N -0.190 118.455 118.700 -0.091 0.000 2.515 1305 N HA -0.039 4.686 4.740 -0.024 0.000 0.191 1305 N C 0.791 176.249 175.510 -0.086 0.000 1.182 1305 N CA 1.061 54.069 53.050 -0.069 0.000 0.879 1305 N CB 0.489 38.952 38.487 -0.039 0.000 0.984 1305 N HN 0.196 nan 8.380 nan 0.000 0.453 1306 G N -0.512 108.213 108.800 -0.124 0.000 2.149 1306 G HA2 -0.230 3.715 3.960 -0.024 0.000 0.235 1306 G HA3 -0.230 3.715 3.960 -0.024 0.000 0.235 1306 G C -0.454 174.386 174.900 -0.101 0.000 1.018 1306 G CA 0.151 45.182 45.100 -0.114 0.000 0.728 1306 G HN 0.287 nan 8.290 nan 0.000 0.508 1307 V N 1.036 120.874 119.914 -0.128 0.000 2.481 1307 V HA 0.473 4.579 4.120 -0.024 0.000 0.286 1307 V C 0.496 176.520 176.094 -0.116 0.000 1.042 1307 V CA -0.621 61.621 62.300 -0.096 0.000 0.928 1307 V CB 1.702 33.472 31.823 -0.089 0.000 0.986 1307 V HN 0.293 nan 8.190 nan 0.000 0.462 1308 K N 3.911 124.275 120.400 -0.060 0.000 2.263 1308 K HA 0.526 4.832 4.320 -0.024 0.000 0.272 1308 K C -1.160 175.423 176.600 -0.027 0.000 1.033 1308 K CA -0.527 55.727 56.287 -0.056 0.000 0.884 1308 K CB 1.892 34.377 32.500 -0.024 0.000 1.107 1308 K HN 0.401 nan 8.250 nan 0.000 0.460 1309 V N 5.546 125.456 119.914 -0.006 0.000 2.311 1309 V HA 0.282 4.388 4.120 -0.024 0.000 0.275 1309 V C 0.207 176.283 176.094 -0.030 0.000 1.022 1309 V CA -0.708 61.605 62.300 0.022 0.000 0.830 1309 V CB 0.498 32.391 31.823 0.116 0.000 1.012 1309 V HN 0.640 nan 8.190 nan 0.000 0.452 1310 I N 4.194 124.716 120.570 -0.081 0.000 2.312 1310 I HA 0.436 4.591 4.170 -0.024 0.000 0.291 1310 I C 1.106 177.112 176.117 -0.185 0.000 1.031 1310 I CA 0.204 61.380 61.300 -0.206 0.000 1.293 1310 I CB 1.244 39.148 38.000 -0.160 0.000 1.403 1310 I HN 0.701 nan 8.210 nan 0.000 0.484 1311 G N 5.952 114.596 108.800 -0.260 0.000 4.432 1311 G HA2 0.227 4.172 3.960 -0.024 0.000 0.294 1311 G HA3 0.227 4.172 3.960 -0.024 0.000 0.294 1311 G C -0.277 174.578 174.900 -0.076 0.000 1.141 1311 G CA -0.209 44.814 45.100 -0.129 0.000 0.895 1311 G HN 0.347 nan 8.290 nan 0.000 0.548 1312 Y N 1.096 121.402 120.300 0.010 0.000 2.597 1312 Y HA 0.211 4.742 4.550 -0.031 0.000 0.336 1312 Y C 1.950 177.842 175.900 -0.013 0.000 1.216 1312 Y CA 0.368 58.468 58.100 0.000 0.000 1.463 1312 Y CB 1.090 39.550 38.460 0.001 0.000 1.303 1312 Y HN 0.179 nan 8.280 nan 0.000 0.576 1313 T N -3.359 111.287 114.554 0.154 0.000 3.054 1313 T HA 0.048 4.383 4.350 -0.024 0.000 0.255 1313 T C 0.065 174.778 174.700 0.023 0.000 1.035 1313 T CA 0.065 62.196 62.100 0.053 0.000 0.941 1313 T CB -0.154 68.722 68.868 0.013 0.000 1.026 1313 T HN 0.608 nan 8.240 nan 0.000 0.533 1314 D N 1.156 121.575 120.400 0.032 0.000 3.008 1314 D HA 0.216 4.841 4.640 -0.024 0.000 0.312 1314 D C 1.263 177.555 176.300 -0.015 0.000 1.361 1314 D CA -0.586 53.407 54.000 -0.013 0.000 0.858 1314 D CB -0.321 40.457 40.800 -0.037 0.000 1.098 1314 D HN 0.294 nan 8.370 nan 0.000 0.482 1315 L N -0.151 121.083 121.223 0.019 0.000 2.042 1315 L HA -0.080 4.246 4.340 -0.024 0.000 0.210 1315 L C -0.505 176.377 176.870 0.020 0.000 1.076 1315 L CA 1.473 56.330 54.840 0.027 0.000 0.749 1315 L CB -1.504 40.589 42.059 0.056 0.000 0.893 1315 L HN 0.139 nan 8.230 nan 0.000 0.432 1316 P HA -0.118 nan 4.420 nan 0.000 0.218 1316 P C 1.504 178.809 177.300 0.008 0.000 1.149 1316 P CA 1.545 64.657 63.100 0.021 0.000 0.817 1316 P CB -0.184 31.523 31.700 0.011 0.000 0.785 1317 G N -0.250 108.543 108.800 -0.013 0.000 2.559 1317 G HA2 -0.193 3.752 3.960 -0.024 0.000 0.216 1317 G HA3 -0.193 3.752 3.960 -0.024 0.000 0.216 1317 G C 1.376 176.253 174.900 -0.038 0.000 1.126 1317 G CA 0.146 45.233 45.100 -0.021 0.000 0.778 1317 G HN 0.284 nan 8.290 nan 0.000 0.543 1318 R N -1.097 119.376 120.500 -0.045 0.000 2.359 1318 R HA 0.299 4.624 4.340 -0.024 0.000 0.231 1318 R C -0.122 176.166 176.300 -0.020 0.000 0.913 1318 R CA -0.194 55.869 56.100 -0.061 0.000 1.075 1318 R CB 0.307 30.547 30.300 -0.099 0.000 1.087 1318 R HN 0.191 nan 8.270 nan 0.000 0.515 1319 L N 1.593 122.821 121.223 0.008 0.000 2.732 1319 L HA 0.297 4.623 4.340 -0.024 0.000 0.246 1319 L C -2.051 174.828 176.870 0.015 0.000 1.407 1319 L CA -2.008 52.847 54.840 0.025 0.000 0.861 1319 L CB 1.378 43.479 42.059 0.070 0.000 1.161 1319 L HN -0.146 nan 8.230 nan 0.000 0.510 1320 P HA -0.086 nan 4.420 nan 0.000 0.217 1320 P C 1.239 178.559 177.300 0.034 0.000 1.151 1320 P CA 1.229 64.336 63.100 0.011 0.000 0.828 1320 P CB 0.238 31.930 31.700 -0.013 0.000 0.788 1321 T N -0.136 114.404 114.554 -0.023 0.000 2.708 1321 T HA -0.172 4.163 4.350 -0.024 0.000 0.266 1321 T C 2.038 176.800 174.700 0.103 0.000 1.037 1321 T CA 1.560 63.647 62.100 -0.022 0.000 1.146 1321 T CB -0.712 68.055 68.868 -0.168 0.000 0.865 1321 T HN 0.090 nan 8.240 nan 0.000 0.435 1322 Q N 1.184 121.014 119.800 0.050 0.000 2.050 1322 Q HA -0.028 4.298 4.340 -0.024 0.000 0.202 1322 Q C 2.508 178.560 176.000 0.086 0.000 0.980 1322 Q CA 1.632 57.466 55.803 0.052 0.000 0.840 1322 Q CB -0.573 28.161 28.738 -0.006 0.000 0.898 1322 Q HN 0.443 nan 8.270 nan 0.000 0.424 1323 S N -0.443 115.311 115.700 0.090 0.000 2.383 1323 S HA -0.101 4.354 4.470 -0.024 0.000 0.227 1323 S C 2.031 176.741 174.600 0.182 0.000 1.026 1323 S CA 1.137 59.407 58.200 0.115 0.000 0.981 1323 S CB -0.299 62.949 63.200 0.081 0.000 0.818 1323 S HN 0.354 nan 8.310 nan 0.000 0.472 1324 S N 1.339 117.159 115.700 0.201 0.000 2.383 1324 S HA -0.133 4.323 4.470 -0.024 0.000 0.227 1324 S C 2.016 176.749 174.600 0.223 0.000 1.026 1324 S CA 1.258 59.614 58.200 0.261 0.000 0.981 1324 S CB -0.339 63.056 63.200 0.324 0.000 0.818 1324 S HN 0.440 nan 8.310 nan 0.000 0.472 1325 Q N 1.538 121.455 119.800 0.194 0.000 2.046 1325 Q HA 0.060 4.385 4.340 -0.024 0.000 0.200 1325 Q C 1.916 177.965 176.000 0.081 0.000 0.975 1325 Q CA 1.461 57.333 55.803 0.115 0.000 0.836 1325 Q CB -0.533 28.277 28.738 0.120 0.000 0.896 1325 Q HN 0.514 nan 8.270 nan 0.000 0.428 1326 L N -0.797 120.488 121.223 0.104 0.000 2.027 1326 L HA -0.138 4.187 4.340 -0.024 0.000 0.206 1326 L C 2.331 179.279 176.870 0.129 0.000 1.074 1326 L CA 1.414 56.310 54.840 0.094 0.000 0.745 1326 L CB -0.809 41.308 42.059 0.096 0.000 0.898 1326 L HN 0.286 nan 8.230 nan 0.000 0.433 1327 Y N 1.394 121.723 120.300 0.049 0.000 2.128 1327 Y HA -0.211 4.356 4.550 0.028 0.000 0.284 1327 Y C 2.347 178.246 175.900 -0.001 0.000 1.154 1327 Y CA 1.455 59.580 58.100 0.041 0.000 1.149 1327 Y CB -0.801 37.710 38.460 0.086 0.000 0.976 1327 Y HN 0.075 nan 8.280 nan 0.000 0.505 1328 G N -1.419 107.348 108.800 -0.055 0.000 2.440 1328 G HA2 -0.265 3.681 3.960 -0.024 0.000 0.218 1328 G HA3 -0.265 3.681 3.960 -0.024 0.000 0.218 1328 G C 1.673 176.471 174.900 -0.169 0.000 1.154 1328 G CA 1.512 46.515 45.100 -0.161 0.000 0.767 1328 G HN 0.438 nan 8.290 nan 0.000 0.552 1329 T N 1.397 115.896 114.554 -0.092 0.000 2.777 1329 T HA -0.113 4.223 4.350 -0.024 0.000 0.266 1329 T C 2.366 177.002 174.700 -0.107 0.000 1.040 1329 T CA 1.123 63.176 62.100 -0.078 0.000 1.141 1329 T CB -0.254 68.594 68.868 -0.033 0.000 0.868 1329 T HN 0.221 nan 8.240 nan 0.000 0.444 1330 N N 1.519 120.146 118.700 -0.122 0.000 2.094 1330 N HA -0.043 4.683 4.740 -0.024 0.000 0.191 1330 N C 1.850 177.224 175.510 -0.228 0.000 1.023 1330 N CA 1.019 53.981 53.050 -0.147 0.000 0.857 1330 N CB -0.514 37.905 38.487 -0.113 0.000 1.013 1330 N HN 0.375 nan 8.380 nan 0.000 0.426 1331 L N 0.323 121.333 121.223 -0.355 0.000 2.109 1331 L HA -0.063 4.262 4.340 -0.024 0.000 0.207 1331 L C 2.283 179.017 176.870 -0.227 0.000 1.086 1331 L CA 0.512 55.143 54.840 -0.348 0.000 0.760 1331 L CB -0.421 41.366 42.059 -0.453 0.000 0.910 1331 L HN -0.050 nan 8.230 nan 0.000 0.437 1332 V N 0.329 120.133 119.914 -0.184 0.000 2.332 1332 V HA -0.275 3.830 4.120 -0.024 0.000 0.248 1332 V C 2.180 178.224 176.094 -0.084 0.000 1.055 1332 V CA 1.847 64.075 62.300 -0.120 0.000 1.038 1332 V CB -0.632 31.139 31.823 -0.087 0.000 0.651 1332 V HN 0.502 nan 8.190 nan 0.000 0.450 1333 N N -0.111 118.538 118.700 -0.084 0.000 2.309 1333 N HA -0.090 4.635 4.740 -0.024 0.000 0.182 1333 N C 1.608 177.085 175.510 -0.054 0.000 1.018 1333 N CA 0.989 54.006 53.050 -0.056 0.000 0.876 1333 N CB -0.372 38.086 38.487 -0.049 0.000 0.972 1333 N HN 0.429 nan 8.380 nan 0.000 0.434 1334 L N 0.691 121.864 121.223 -0.084 0.000 2.093 1334 L HA 0.032 4.357 4.340 -0.024 0.000 0.208 1334 L C 1.846 178.685 176.870 -0.052 0.000 1.085 1334 L CA 1.278 56.072 54.840 -0.076 0.000 0.755 1334 L CB -0.447 41.543 42.059 -0.115 0.000 0.904 1334 L HN 0.067 nan 8.230 nan 0.000 0.435 1335 L N -0.810 120.374 121.223 -0.064 0.000 2.156 1335 L HA -0.143 4.182 4.340 -0.024 0.000 0.208 1335 L C 2.548 179.450 176.870 0.053 0.000 1.095 1335 L CA 0.981 55.807 54.840 -0.023 0.000 0.770 1335 L CB -0.441 41.564 42.059 -0.089 0.000 0.914 1335 L HN 0.222 nan 8.230 nan 0.000 0.439 1336 K N -0.287 120.130 120.400 0.028 0.000 2.103 1336 K HA -0.220 4.085 4.320 -0.024 0.000 0.207 1336 K C 2.012 178.630 176.600 0.030 0.000 1.048 1336 K CA 1.227 57.535 56.287 0.036 0.000 0.930 1336 K CB -0.214 32.293 32.500 0.012 0.000 0.716 1336 K HN 0.113 nan 8.250 nan 0.000 0.444 1337 L N 0.462 121.695 121.223 0.017 0.000 2.093 1337 L HA -0.127 4.198 4.340 -0.024 0.000 0.208 1337 L C 1.915 178.804 176.870 0.031 0.000 1.085 1337 L CA 1.207 56.057 54.840 0.017 0.000 0.755 1337 L CB -0.285 41.778 42.059 0.007 0.000 0.904 1337 L HN 0.085 nan 8.230 nan 0.000 0.435 1338 L N -1.887 119.362 121.223 0.043 0.000 2.395 1338 L HA -0.027 4.299 4.340 -0.024 0.000 0.218 1338 L C 0.942 177.858 176.870 0.077 0.000 1.130 1338 L CA 0.732 55.608 54.840 0.060 0.000 0.826 1338 L CB -0.563 41.532 42.059 0.061 0.000 0.941 1338 L HN 0.316 nan 8.230 nan 0.000 0.451 1339 C N -0.743 118.605 119.300 0.081 0.000 3.445 1339 C HA 0.246 4.691 4.460 -0.024 0.000 0.213 1339 C C 1.781 176.784 174.990 0.022 0.000 1.319 1339 C CA -0.875 58.182 59.018 0.065 0.000 1.402 1339 C CB -0.808 27.021 27.740 0.148 0.000 1.819 1339 C HN 0.364 nan 8.230 nan 0.000 0.491 1340 K N 0.441 120.847 120.400 0.010 0.000 2.148 1340 K HA -0.060 4.245 4.320 -0.024 0.000 0.204 1340 K C 1.448 178.040 176.600 -0.013 0.000 1.050 1340 K CA 1.471 57.759 56.287 0.002 0.000 0.942 1340 K CB 0.241 32.742 32.500 0.003 0.000 0.724 1340 K HN 0.601 nan 8.250 nan 0.000 0.446 1341 E N -0.029 120.155 120.200 -0.028 0.000 2.474 1341 E HA 0.054 4.389 4.350 -0.024 0.000 0.195 1341 E C -0.724 175.840 176.600 -0.061 0.000 1.039 1341 E CA 0.089 56.465 56.400 -0.039 0.000 0.881 1341 E CB 0.413 30.089 29.700 -0.040 0.000 0.970 1341 E HN 0.025 nan 8.360 nan 0.000 0.486 1342 K N 0.925 121.279 120.400 -0.076 0.000 3.161 1342 K HA -0.143 4.163 4.320 -0.024 0.000 0.270 1342 K C -0.620 175.880 176.600 -0.166 0.000 1.115 1342 K CA 0.890 57.115 56.287 -0.103 0.000 0.789 1342 K CB -1.321 31.144 32.500 -0.059 0.000 1.256 1342 K HN 0.301 nan 8.250 nan 0.000 0.492 1343 D N -1.188 119.077 120.400 -0.226 0.000 2.563 1343 D HA 0.176 4.801 4.640 -0.024 0.000 0.237 1343 D C 0.960 177.049 176.300 -0.352 0.000 1.282 1343 D CA 0.400 54.263 54.000 -0.228 0.000 0.816 1343 D CB 0.373 41.087 40.800 -0.144 0.000 1.066 1343 D HN 0.342 nan 8.370 nan 0.000 0.501 1344 G N 1.231 109.615 108.800 -0.694 0.000 2.168 1344 G HA2 -0.326 3.620 3.960 -0.024 0.000 0.263 1344 G HA3 -0.326 3.620 3.960 -0.024 0.000 0.263 1344 G C -0.011 174.584 174.900 -0.507 0.000 0.977 1344 G CA 0.279 44.759 45.100 -1.033 0.000 0.659 1344 G HN 0.591 nan 8.290 nan 0.000 0.533 1345 N N 0.315 118.842 118.700 -0.289 0.000 2.417 1345 N HA 0.520 5.245 4.740 -0.024 0.000 0.274 1345 N C 0.286 175.814 175.510 0.029 0.000 0.987 1345 N CA -0.916 52.093 53.050 -0.068 0.000 0.912 1345 N CB 0.414 38.862 38.487 -0.066 0.000 1.177 1345 N HN 0.028 nan 8.380 nan 0.000 0.490 1346 I N 3.026 123.666 120.570 0.117 0.000 2.436 1346 I HA 0.097 4.253 4.170 -0.024 0.000 0.289 1346 I C 0.209 176.357 176.117 0.052 0.000 1.083 1346 I CA 0.161 61.530 61.300 0.116 0.000 1.372 1346 I CB -0.132 37.934 38.000 0.110 0.000 1.408 1346 I HN 0.474 nan 8.210 nan 0.000 0.516 1347 T N 6.506 121.085 114.554 0.041 0.000 2.770 1347 T HA 0.329 4.664 4.350 -0.024 0.000 0.297 1347 T C 0.263 174.982 174.700 0.031 0.000 0.997 1347 T CA -0.418 61.695 62.100 0.022 0.000 0.949 1347 T CB 1.207 70.082 68.868 0.012 0.000 0.941 1347 T HN 0.231 nan 8.240 nan 0.000 0.457 1348 V N 4.247 124.171 119.914 0.018 0.000 2.313 1348 V HA 0.199 4.304 4.120 -0.024 0.000 0.252 1348 V C 0.256 176.373 176.094 0.037 0.000 1.112 1348 V CA -0.645 61.680 62.300 0.041 0.000 0.984 1348 V CB 0.027 31.858 31.823 0.014 0.000 1.157 1348 V HN 0.782 nan 8.190 nan 0.000 0.493 1349 D N 3.712 124.180 120.400 0.113 0.000 2.392 1349 D HA 0.294 4.919 4.640 -0.024 0.000 0.228 1349 D C 0.434 176.903 176.300 0.281 0.000 1.074 1349 D CA -0.592 53.482 54.000 0.123 0.000 0.838 1349 D CB 0.946 41.791 40.800 0.075 0.000 1.067 1349 D HN 0.234 nan 8.370 nan 0.000 0.511 1350 F N 1.629 121.582 119.950 0.004 0.000 2.802 1350 F HA 0.049 4.561 4.527 -0.024 0.000 0.300 1350 F C 1.474 177.275 175.800 0.001 0.000 1.168 1350 F CA 0.104 58.106 58.000 0.003 0.000 1.433 1350 F CB -0.043 38.960 39.000 0.005 0.000 1.115 1350 F HN 0.436 nan 8.300 nan 0.000 0.582 1351 D N -0.788 119.711 120.400 0.164 0.000 2.317 1351 D HA -0.090 4.535 4.640 -0.024 0.000 0.211 1351 D C 0.655 176.984 176.300 0.048 0.000 0.966 1351 D CA 0.626 54.675 54.000 0.081 0.000 0.876 1351 D CB -0.036 40.801 40.800 0.061 0.000 0.927 1351 D HN 0.151 nan 8.370 nan 0.000 0.519 1352 D N 0.853 121.287 120.400 0.057 0.000 2.317 1352 D HA 0.008 4.634 4.640 -0.024 0.000 0.252 1352 D C 1.745 178.042 176.300 -0.006 0.000 1.174 1352 D CA -0.203 53.813 54.000 0.027 0.000 0.866 1352 D CB 1.949 42.772 40.800 0.037 0.000 1.127 1352 D HN -0.128 nan 8.370 nan 0.000 0.467 1353 V N 2.793 122.694 119.914 -0.022 0.000 2.626 1353 V HA -0.174 3.931 4.120 -0.024 0.000 0.252 1353 V C 2.099 178.157 176.094 -0.062 0.000 1.067 1353 V CA 1.637 63.907 62.300 -0.051 0.000 1.081 1353 V CB -1.057 30.742 31.823 -0.039 0.000 0.686 1353 V HN 0.514 nan 8.190 nan 0.000 0.468 1354 V N -1.255 118.636 119.914 -0.037 0.000 2.488 1354 V HA -0.031 4.074 4.120 -0.024 0.000 0.246 1354 V C 2.420 178.491 176.094 -0.039 0.000 1.046 1354 V CA 1.446 63.724 62.300 -0.036 0.000 1.053 1354 V CB -0.600 31.209 31.823 -0.022 0.000 0.679 1354 V HN 0.328 nan 8.190 nan 0.000 0.458 1355 I N 1.053 121.613 120.570 -0.018 0.000 2.226 1355 I HA -0.113 4.042 4.170 -0.024 0.000 0.245 1355 I C 2.723 178.803 176.117 -0.062 0.000 1.100 1355 I CA 1.985 63.295 61.300 0.017 0.000 1.374 1355 I CB -1.530 36.529 38.000 0.099 0.000 1.057 1355 I HN 0.401 nan 8.210 nan 0.000 0.413 1356 R N 1.473 121.846 120.500 -0.212 0.000 2.081 1356 R HA -0.082 4.243 4.340 -0.024 0.000 0.235 1356 R C 2.332 178.425 176.300 -0.345 0.000 1.131 1356 R CA 1.719 57.476 56.100 -0.572 0.000 0.960 1356 R CB -1.174 28.817 30.300 -0.514 0.000 0.856 1356 R HN 0.346 nan 8.270 nan 0.000 0.436 1357 G N -0.945 107.750 108.800 -0.174 0.000 2.408 1357 G HA2 -0.163 3.782 3.960 -0.024 0.000 0.217 1357 G HA3 -0.163 3.782 3.960 -0.024 0.000 0.217 1357 G C 1.322 176.198 174.900 -0.040 0.000 1.150 1357 G CA 0.869 45.914 45.100 -0.092 0.000 0.776 1357 G HN 0.263 nan 8.290 nan 0.000 0.542 1358 V N 0.821 120.708 119.914 -0.045 0.000 2.878 1358 V HA 0.038 4.144 4.120 -0.024 0.000 0.250 1358 V C 1.361 177.458 176.094 0.005 0.000 1.075 1358 V CA 1.144 63.428 62.300 -0.027 0.000 1.096 1358 V CB -0.040 31.755 31.823 -0.045 0.000 0.724 1358 V HN 0.212 nan 8.190 nan 0.000 0.467 1359 T N 1.505 116.073 114.554 0.025 0.000 2.775 1359 T HA 0.160 4.495 4.350 -0.024 0.000 0.287 1359 T C 1.081 175.862 174.700 0.135 0.000 0.909 1359 T CA 0.458 62.626 62.100 0.114 0.000 1.081 1359 T CB 1.131 70.171 68.868 0.288 0.000 0.891 1359 T HN 0.308 nan 8.240 nan 0.000 0.544 1360 V N 1.859 121.852 119.914 0.131 0.000 3.125 1360 V HA 0.467 4.572 4.120 -0.024 0.000 0.249 1360 V C 0.515 176.715 176.094 0.177 0.000 1.113 1360 V CA 0.497 62.908 62.300 0.185 0.000 1.106 1360 V CB -0.183 31.706 31.823 0.110 0.000 0.768 1360 V HN 0.674 nan 8.190 nan 0.000 0.468 1361 I N 0.988 121.637 120.570 0.132 0.000 2.545 1361 I HA 0.584 4.739 4.170 -0.024 0.000 0.292 1361 I C -0.386 175.801 176.117 0.117 0.000 1.040 1361 I CA -0.677 60.694 61.300 0.119 0.000 1.068 1361 I CB 2.297 40.343 38.000 0.077 0.000 1.251 1361 I HN 0.049 nan 8.210 nan 0.000 0.424 1362 R N 5.018 125.581 120.500 0.105 0.000 2.473 1362 R HA 0.571 4.896 4.340 -0.024 0.000 0.303 1362 R C -0.270 176.042 176.300 0.021 0.000 1.002 1362 R CA -0.200 55.934 56.100 0.056 0.000 0.884 1362 R CB 1.632 31.949 30.300 0.029 0.000 1.173 1362 R HN 0.916 nan 8.270 nan 0.000 0.464 1363 A N 2.856 125.684 122.820 0.014 0.000 2.687 1363 A HA -0.197 4.109 4.320 -0.024 0.000 0.299 1363 A C 1.061 178.654 177.584 0.016 0.000 1.497 1363 A CA 1.534 53.575 52.037 0.006 0.000 0.751 1363 A CB -2.009 16.982 19.000 -0.014 0.000 1.048 1363 A HN 1.684 nan 8.150 nan 0.000 0.464 1364 G N -2.086 106.730 108.800 0.027 0.000 2.225 1364 G HA2 -0.185 3.760 3.960 -0.024 0.000 0.254 1364 G HA3 -0.185 3.760 3.960 -0.024 0.000 0.254 1364 G C -0.068 174.857 174.900 0.041 0.000 0.988 1364 G CA 1.046 46.165 45.100 0.030 0.000 0.625 1364 G HN 1.385 nan 8.290 nan 0.000 0.527 1365 E N 0.104 120.333 120.200 0.048 0.000 2.133 1365 E HA 0.631 4.966 4.350 -0.024 0.000 0.274 1365 E C 0.442 177.100 176.600 0.096 0.000 0.930 1365 E CA -0.719 55.719 56.400 0.063 0.000 0.770 1365 E CB 0.836 30.567 29.700 0.051 0.000 1.104 1365 E HN 0.324 nan 8.360 nan 0.000 0.403 1366 I N 3.512 124.149 120.570 0.111 0.000 2.505 1366 I HA -0.003 4.152 4.170 -0.024 0.000 0.287 1366 I C 1.200 177.423 176.117 0.178 0.000 1.104 1366 I CA 0.488 61.883 61.300 0.158 0.000 1.387 1366 I CB 0.687 38.793 38.000 0.177 0.000 1.404 1366 I HN 0.640 nan 8.210 nan 0.000 0.528 1367 T N 1.202 115.884 114.554 0.213 0.000 3.054 1367 T HA 0.038 4.373 4.350 -0.024 0.000 0.255 1367 T C -0.071 174.741 174.700 0.187 0.000 1.035 1367 T CA -0.479 61.746 62.100 0.209 0.000 0.941 1367 T CB -0.161 68.891 68.868 0.307 0.000 1.026 1367 T HN 0.563 nan 8.240 nan 0.000 0.533 1368 W N 4.279 125.602 121.300 0.038 0.000 2.251 1368 W HA 0.522 5.168 4.660 -0.023 0.000 0.329 1368 W C -2.476 174.056 176.519 0.022 0.000 1.234 1368 W CA -2.022 55.333 57.345 0.017 0.000 1.228 1368 W CB 0.788 30.262 29.460 0.022 0.000 1.135 1368 W HN -0.079 nan 8.180 nan 0.000 0.576 1369 P HA 0.336 nan 4.420 nan 0.000 0.281 1369 P C -1.024 176.042 177.300 -0.390 0.000 1.249 1369 P CA -0.391 62.081 63.100 -1.048 0.000 0.810 1369 P CB 1.178 32.124 31.700 -1.256 0.000 1.008 1370 A N 3.824 126.505 122.820 -0.232 0.000 2.445 1370 A HA 0.464 4.770 4.320 -0.024 0.000 0.242 1370 A C -1.632 175.857 177.584 -0.159 0.000 1.075 1370 A CA -0.823 51.111 52.037 -0.172 0.000 0.777 1370 A CB -1.303 17.615 19.000 -0.137 0.000 1.013 1370 A HN 0.498 nan 8.150 nan 0.000 0.493 1371 P HA 0.355 nan 4.420 nan 0.000 0.273 1371 P C -2.632 174.619 177.300 -0.080 0.000 1.250 1371 P CA -1.171 61.868 63.100 -0.102 0.000 0.793 1371 P CB -0.840 30.812 31.700 -0.080 0.000 1.011 1372 P HA 0.166 nan 4.420 nan 0.000 0.266 1372 P C -0.125 177.150 177.300 -0.041 0.000 1.195 1372 P CA 0.234 63.307 63.100 -0.045 0.000 0.768 1372 P CB 0.120 31.798 31.700 -0.037 0.000 0.838 1373 I N 2.979 123.529 120.570 -0.033 0.000 2.471 1373 I HA 0.075 4.230 4.170 -0.024 0.000 0.286 1373 I C 0.429 176.532 176.117 -0.022 0.000 1.079 1373 I CA 0.501 61.783 61.300 -0.030 0.000 1.398 1373 I CB 0.077 38.062 38.000 -0.025 0.000 1.403 1373 I HN 0.297 nan 8.210 nan 0.000 0.530 1374 Q N 6.436 126.223 119.800 -0.022 0.000 2.483 1374 Q HA 0.436 4.761 4.340 -0.024 0.000 0.245 1374 Q C -1.106 174.886 176.000 -0.013 0.000 0.902 1374 Q CA -0.631 55.163 55.803 -0.016 0.000 0.767 1374 Q CB 2.184 30.912 28.738 -0.017 0.000 1.341 1374 Q HN 0.547 nan 8.270 nan 0.000 0.453 1375 V N -0.895 119.013 119.914 -0.010 0.000 2.581 1375 V HA 0.825 4.930 4.120 -0.024 0.000 0.303 1375 V C -0.004 176.086 176.094 -0.006 0.000 1.041 1375 V CA -0.501 61.794 62.300 -0.008 0.000 0.907 1375 V CB 1.854 33.673 31.823 -0.007 0.000 0.994 1375 V HN 0.635 nan 8.190 nan 0.000 0.442 1376 S N 0.000 115.698 115.700 -0.004 0.000 2.498 1376 S HA 0.000 4.455 4.470 -0.024 0.000 0.327 1376 S CA 0.000 58.198 58.200 -0.003 0.000 1.107 1376 S CB 0.000 63.199 63.200 -0.002 0.000 0.593 1376 S HN 0.000 nan 8.310 nan 0.000 0.517