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 2bru_1_B DATA FIRST_RESID 998 DATA SEQUENCE HHHGRIGIPR ERLTNETRVA ATPKTVEQLL KLGFTVAVES GAGQLASFDD DATA SEQUENCE KAFVQAGAEI VEGNSVWQSE IILKVNAPLD DEIALLNPGT TLVSFIWPAQ DATA SEQUENCE NPELMQKLAE RNVTVMAMDS VPRISRAQSL DALSSMANIA GYRAIVEAAH DATA SEQUENCE EFGRFFTGQI TAAGKVPPAK VMVIGAGVAG LAAIGAANSL GAIVRAFDTR DATA SEQUENCE PEVKEQVQSM GAEFLELDXX XXXXXXXXXX XXMSDAFIKA EMELFAAQAK DATA SEQUENCE EVDIIVTTAL IPGKPAPKLI TREMVDSMKA GSVIVDLAAQ NGGNCEYTVP DATA SEQUENCE GEIFTTENGV KVIGYTDLPG RLPTQSSQLY GTNLVNLLKL LCKEKDGNIT DATA SEQUENCE VDFDDVVIRG VTVIRAGEIT WPAPPIQVS 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 998 H HA 0.000 nan 4.556 nan 0.000 0.296 998 H C 0.000 175.139 175.328 -0.316 0.000 0.993 998 H CA 0.000 55.883 56.048 -0.276 0.000 1.023 998 H CB 0.000 29.739 29.762 -0.038 0.000 1.292 999 H N 0.969 120.197 119.070 0.263 0.000 2.528 999 H HA 0.272 nan 4.556 nan 0.000 0.256 999 H C -1.365 174.020 175.328 0.096 0.000 1.204 999 H CA -0.584 55.547 56.048 0.138 0.000 0.955 999 H CB 0.068 29.877 29.762 0.077 0.000 1.817 999 H HN 0.154 8.512 8.280 0.130 0.000 0.579 1000 H N -0.778 118.380 119.070 0.147 0.000 2.815 1000 H HA -0.283 nan 4.556 nan 0.000 0.350 1000 H C 0.931 176.320 175.328 0.103 0.000 1.080 1000 H CA 1.848 57.963 56.048 0.111 0.000 1.433 1000 H CB 0.433 30.236 29.762 0.068 0.000 1.432 1000 H HN -0.401 8.138 8.280 0.432 0.000 0.592 1001 G N 3.262 112.177 108.800 0.191 0.000 2.245 1001 G HA2 -0.568 nan 3.960 nan 0.000 0.264 1001 G HA3 -0.568 nan 3.960 nan 0.000 0.264 1001 G C -1.442 173.594 174.900 0.227 0.000 0.985 1001 G CA 0.460 45.629 45.100 0.115 0.000 0.625 1001 G HN 0.419 9.061 8.290 0.205 -0.229 0.536 1002 R N 0.614 121.226 120.500 0.187 0.000 2.428 1002 R HA 0.711 nan 4.340 nan 0.000 0.294 1002 R C -1.355 175.000 176.300 0.093 0.000 1.000 1002 R CA -1.179 55.002 56.100 0.135 0.000 0.960 1002 R CB 1.828 32.178 30.300 0.084 0.000 1.076 1002 R HN -0.582 7.599 8.270 0.169 0.191 0.475 1003 I N 3.409 124.000 120.570 0.035 0.000 2.566 1003 I HA 0.567 nan 4.170 nan 0.000 0.303 1003 I C -0.882 175.172 176.117 -0.104 0.000 0.983 1003 I CA -1.529 59.734 61.300 -0.061 0.000 1.235 1003 I CB 2.133 40.068 38.000 -0.108 0.000 1.386 1003 I HN 0.703 8.940 8.210 0.045 0.000 0.494 1004 G N 2.916 111.615 108.800 -0.169 0.000 2.544 1004 G HA2 0.609 nan 3.960 nan 0.000 0.313 1004 G HA3 0.609 nan 3.960 nan 0.000 0.313 1004 G C -2.390 172.330 174.900 -0.301 0.000 1.316 1004 G CA -1.010 43.941 45.100 -0.247 0.000 0.944 1004 G HN 0.632 8.817 8.290 -0.175 0.000 0.489 1005 I N 3.673 124.080 120.570 -0.273 0.000 2.382 1005 I HA 0.425 nan 4.170 nan 0.000 0.285 1005 I C -2.259 173.679 176.117 -0.299 0.000 1.007 1005 I CA -4.977 56.172 61.300 -0.252 0.000 1.142 1005 I CB 1.903 39.805 38.000 -0.164 0.000 1.289 1005 I HN 0.656 8.720 8.210 -0.244 0.000 0.453 1006 P HA 0.181 nan 4.420 nan 0.000 0.274 1006 P C -2.042 175.157 177.300 -0.169 0.000 1.231 1006 P CA -0.979 61.967 63.100 -0.255 0.000 0.790 1006 P CB 0.533 32.101 31.700 -0.221 0.000 0.951 1007 R N 1.665 122.093 120.500 -0.120 0.000 2.316 1007 R HA -0.044 nan 4.340 nan 0.000 0.314 1007 R C -0.575 175.700 176.300 -0.042 0.000 1.069 1007 R CA -0.092 55.950 56.100 -0.096 0.000 0.959 1007 R CB 0.702 30.955 30.300 -0.079 0.000 0.987 1007 R HN -0.175 8.308 8.270 -0.097 -0.272 0.446 1008 E N 6.149 126.321 120.200 -0.047 0.000 2.290 1008 E HA -0.042 nan 4.350 nan 0.000 0.277 1008 E C -0.208 176.394 176.600 0.003 0.000 1.035 1008 E CA 0.107 56.494 56.400 -0.021 0.000 0.873 1008 E CB 0.692 30.362 29.700 -0.050 0.000 1.029 1008 E HN 0.128 8.451 8.360 -0.062 0.000 0.419 1009 R N 2.933 123.450 120.500 0.028 0.000 2.388 1009 R HA -0.011 nan 4.340 nan 0.000 0.247 1009 R C -1.285 175.030 176.300 0.025 0.000 0.931 1009 R CA -0.367 55.750 56.100 0.028 0.000 1.082 1009 R CB 0.193 30.518 30.300 0.041 0.000 1.135 1009 R HN 0.197 8.494 8.270 0.045 0.000 0.525 1010 L N -0.595 120.644 121.223 0.027 0.000 2.456 1010 L HA -0.039 nan 4.340 nan 0.000 0.272 1010 L C -0.051 176.828 176.870 0.015 0.000 1.189 1010 L CA 0.344 55.201 54.840 0.027 0.000 0.846 1010 L CB 0.902 42.985 42.059 0.040 0.000 1.111 1010 L HN -0.615 7.564 8.230 0.025 0.066 0.475 1011 T N 2.898 117.459 114.554 0.012 0.000 2.926 1011 T HA 0.036 nan 4.350 nan 0.000 0.307 1011 T C -0.296 174.406 174.700 0.002 0.000 1.059 1011 T CA 0.903 63.006 62.100 0.006 0.000 1.122 1011 T CB 0.243 69.115 68.868 0.006 0.000 0.972 1011 T HN 0.141 8.389 8.240 0.013 0.000 0.545 1012 N N 0.499 119.195 118.700 -0.006 0.000 2.708 1012 N HA -0.299 nan 4.740 nan 0.000 0.255 1012 N C -1.813 173.685 175.510 -0.019 0.000 1.046 1012 N CA 1.008 54.045 53.050 -0.023 0.000 0.715 1012 N CB -0.024 38.448 38.487 -0.026 0.000 0.895 1012 N HN 0.268 8.645 8.380 -0.006 0.000 0.545 1013 E N -1.803 118.389 120.200 -0.014 0.000 2.314 1013 E HA 0.157 nan 4.350 nan 0.000 0.272 1013 E C -1.324 175.270 176.600 -0.010 0.000 0.884 1013 E CA -0.829 55.567 56.400 -0.007 0.000 0.753 1013 E CB 2.459 32.160 29.700 0.001 0.000 1.213 1013 E HN -0.213 8.139 8.360 -0.014 0.000 0.432 1014 T N -0.579 113.971 114.554 -0.007 0.000 3.130 1014 T HA 0.226 nan 4.350 nan 0.000 0.288 1014 T C 0.083 174.788 174.700 0.008 0.000 0.936 1014 T CA -0.315 61.787 62.100 0.003 0.000 0.897 1014 T CB 0.493 69.362 68.868 0.003 0.000 1.178 1014 T HN -0.031 8.207 8.240 -0.005 0.000 0.543 1015 R N 1.587 122.079 120.500 -0.013 0.000 2.441 1015 R HA 0.229 nan 4.340 nan 0.000 0.284 1015 R C -1.561 174.707 176.300 -0.054 0.000 1.070 1015 R CA 0.164 56.241 56.100 -0.037 0.000 1.047 1015 R CB 1.095 31.335 30.300 -0.101 0.000 1.016 1015 R HN -0.407 8.120 8.270 -0.017 -0.267 0.477 1016 V N 0.805 120.697 119.914 -0.037 0.000 2.975 1016 V HA 0.398 nan 4.120 nan 0.000 0.318 1016 V C -1.327 174.706 176.094 -0.101 0.000 1.077 1016 V CA -2.896 59.366 62.300 -0.063 0.000 1.000 1016 V CB 2.555 34.371 31.823 -0.013 0.000 1.066 1016 V HN 0.050 8.240 8.190 0.000 0.000 0.452 1017 A N 3.138 125.882 122.820 -0.128 0.000 2.067 1017 A HA -0.052 nan 4.320 nan 0.000 0.219 1017 A C -1.402 176.197 177.584 0.026 0.000 1.158 1017 A CA 2.198 54.177 52.037 -0.096 0.000 0.661 1017 A CB 0.751 19.699 19.000 -0.086 0.000 0.801 1017 A HN 0.089 8.154 8.150 -0.141 0.000 0.452 1018 A N -5.408 117.428 122.820 0.025 0.000 2.491 1018 A HA 0.187 nan 4.320 nan 0.000 0.293 1018 A C -0.965 176.674 177.584 0.092 0.000 1.047 1018 A CA -1.239 50.822 52.037 0.040 0.000 0.735 1018 A CB 1.704 20.709 19.000 0.009 0.000 1.281 1018 A HN -0.708 7.432 8.150 0.021 0.022 0.398 1019 T N 1.522 116.072 114.554 -0.006 0.000 2.766 1019 T HA 0.216 nan 4.350 nan 0.000 0.295 1019 T C -0.781 173.633 174.700 -0.477 0.000 1.024 1019 T CA -2.343 59.631 62.100 -0.210 0.000 1.018 1019 T CB -1.431 67.329 68.868 -0.180 0.000 1.002 1019 T HN -0.093 8.142 8.240 -0.010 0.000 0.532 1020 P HA -0.335 nan 4.420 nan 0.000 0.215 1020 P C 1.403 178.475 177.300 -0.380 0.000 1.163 1020 P CA 3.438 66.051 63.100 -0.813 0.000 0.894 1020 P CB 0.038 31.053 31.700 -1.141 0.000 0.791 1021 K N -3.506 116.719 120.400 -0.292 0.000 2.103 1021 K HA -0.343 nan 4.320 nan 0.000 0.207 1021 K C 2.220 178.757 176.600 -0.104 0.000 1.048 1021 K CA 3.613 59.820 56.287 -0.133 0.000 0.930 1021 K CB -0.470 31.991 32.500 -0.064 0.000 0.716 1021 K HN 0.508 8.550 8.250 -0.346 0.000 0.444 1022 T N 1.539 116.027 114.554 -0.111 0.000 2.904 1022 T HA -0.145 nan 4.350 nan 0.000 0.267 1022 T C 2.004 176.664 174.700 -0.066 0.000 1.059 1022 T CA 3.526 65.583 62.100 -0.071 0.000 1.137 1022 T CB -0.549 68.288 68.868 -0.052 0.000 0.879 1022 T HN -0.538 7.536 8.240 -0.146 0.078 0.467 1023 V N 2.883 122.748 119.914 -0.081 0.000 2.343 1023 V HA -0.475 nan 4.120 nan 0.000 0.247 1023 V C 1.792 177.862 176.094 -0.041 0.000 1.051 1023 V CA 4.570 66.841 62.300 -0.048 0.000 1.036 1023 V CB -0.978 30.824 31.823 -0.035 0.000 0.654 1023 V HN 0.274 8.287 8.190 -0.128 0.100 0.451 1024 E N -1.755 118.410 120.200 -0.058 0.000 2.110 1024 E HA -0.470 nan 4.350 nan 0.000 0.193 1024 E C 2.453 179.042 176.600 -0.019 0.000 0.988 1024 E CA 3.482 59.861 56.400 -0.036 0.000 0.804 1024 E CB -0.463 29.209 29.700 -0.046 0.000 0.745 1024 E HN 0.080 8.384 8.360 -0.092 0.000 0.458 1025 Q N -0.453 119.330 119.800 -0.027 0.000 2.061 1025 Q HA -0.318 nan 4.340 nan 0.000 0.204 1025 Q C 2.813 178.814 176.000 0.000 0.000 0.984 1025 Q CA 3.171 58.964 55.803 -0.017 0.000 0.846 1025 Q CB -0.049 28.670 28.738 -0.031 0.000 0.902 1025 Q HN -0.289 7.876 8.270 -0.043 0.080 0.421 1026 L N -1.478 119.738 121.223 -0.012 0.000 2.131 1026 L HA -0.338 nan 4.340 nan 0.000 0.210 1026 L C 2.085 179.013 176.870 0.096 0.000 1.092 1026 L CA 2.847 57.687 54.840 -0.000 0.000 0.759 1026 L CB -0.435 41.591 42.059 -0.055 0.000 0.903 1026 L HN 0.086 8.222 8.230 -0.029 0.077 0.435 1027 L N -1.658 119.602 121.223 0.062 0.000 2.056 1027 L HA -0.405 nan 4.340 nan 0.000 0.207 1027 L C 2.686 179.598 176.870 0.070 0.000 1.078 1027 L CA 3.130 58.014 54.840 0.072 0.000 0.749 1027 L CB -0.620 41.458 42.059 0.033 0.000 0.901 1027 L HN 0.030 8.180 8.230 0.026 0.096 0.433 1028 K N -0.241 120.189 120.400 0.050 0.000 2.147 1028 K HA -0.295 nan 4.320 nan 0.000 0.205 1028 K C 1.738 178.376 176.600 0.064 0.000 1.049 1028 K CA 2.997 59.308 56.287 0.040 0.000 0.936 1028 K CB -0.178 32.336 32.500 0.022 0.000 0.722 1028 K HN -0.135 8.059 8.250 0.036 0.077 0.446 1029 L N -4.838 116.455 121.223 0.116 0.000 2.622 1029 L HA -0.207 nan 4.340 nan 0.000 0.233 1029 L C 0.237 177.229 176.870 0.205 0.000 1.156 1029 L CA 0.624 55.579 54.840 0.191 0.000 0.866 1029 L CB -0.330 41.892 42.059 0.273 0.000 0.980 1029 L HN -0.393 7.819 8.230 0.106 0.082 0.448 1030 G N -3.625 105.242 108.800 0.111 0.000 2.159 1030 G HA2 -0.339 nan 3.960 nan 0.000 0.227 1030 G HA3 -0.339 nan 3.960 nan 0.000 0.227 1030 G C -0.294 174.508 174.900 -0.163 0.000 0.986 1030 G CA -0.074 44.991 45.100 -0.057 0.000 0.651 1030 G HN -0.297 7.864 8.290 0.119 0.201 0.523 1031 F N 0.098 120.046 119.950 -0.004 0.000 2.410 1031 F HA 0.406 nan 4.527 nan 0.000 0.324 1031 F C -0.053 175.742 175.800 -0.007 0.000 1.093 1031 F CA -1.041 56.957 58.000 -0.003 0.000 1.028 1031 F CB 1.772 40.765 39.000 -0.012 0.000 1.309 1031 F HN -0.685 7.798 8.300 0.389 0.050 0.499 1032 T N -2.424 112.251 114.554 0.201 0.000 2.888 1032 T HA 0.572 nan 4.350 nan 0.000 0.284 1032 T C -1.809 172.940 174.700 0.082 0.000 1.017 1032 T CA -1.583 60.577 62.100 0.101 0.000 1.022 1032 T CB 1.666 70.567 68.868 0.055 0.000 1.013 1032 T HN 0.515 8.910 8.240 0.258 0.000 0.465 1033 V N 1.162 121.095 119.914 0.033 0.000 2.667 1033 V HA 0.831 nan 4.120 nan 0.000 0.308 1033 V C -1.596 174.479 176.094 -0.032 0.000 1.048 1033 V CA -2.005 60.294 62.300 -0.002 0.000 0.928 1033 V CB 2.732 34.553 31.823 -0.003 0.000 1.004 1033 V HN 0.323 8.529 8.190 0.026 0.000 0.444 1034 A N 4.793 127.571 122.820 -0.069 0.000 2.386 1034 A HA 0.929 nan 4.320 nan 0.000 0.311 1034 A C -2.169 175.336 177.584 -0.132 0.000 1.068 1034 A CA -1.844 50.133 52.037 -0.099 0.000 0.743 1034 A CB 2.690 21.614 19.000 -0.127 0.000 1.258 1034 A HN 0.252 8.248 8.150 -0.079 0.107 0.429 1035 V N 1.282 121.103 119.914 -0.154 0.000 2.823 1035 V HA 0.505 nan 4.120 nan 0.000 0.312 1035 V C -0.861 175.085 176.094 -0.245 0.000 1.072 1035 V CA -1.678 60.480 62.300 -0.238 0.000 0.937 1035 V CB 3.412 35.034 31.823 -0.336 0.000 1.013 1035 V HN 0.801 8.911 8.190 -0.135 0.000 0.430 1036 E N 3.541 123.591 120.200 -0.250 0.000 2.384 1036 E HA 0.002 nan 4.350 nan 0.000 0.266 1036 E C 0.031 176.489 176.600 -0.236 0.000 1.012 1036 E CA 0.278 56.563 56.400 -0.192 0.000 0.901 1036 E CB 1.010 30.627 29.700 -0.139 0.000 0.967 1036 E HN 0.320 8.520 8.360 -0.267 0.000 0.435 1037 S N 3.791 119.398 115.700 -0.156 0.000 2.558 1037 S HA -0.360 nan 4.470 nan 0.000 0.293 1037 S C 0.611 175.138 174.600 -0.122 0.000 1.292 1037 S CA 2.552 60.673 58.200 -0.133 0.000 1.063 1037 S CB -0.227 62.932 63.200 -0.069 0.000 0.831 1037 S HN 0.186 8.427 8.310 -0.115 0.000 0.499 1038 G N 2.561 111.294 108.800 -0.112 0.000 2.176 1038 G HA2 -0.365 nan 3.960 nan 0.000 0.253 1038 G HA3 -0.365 nan 3.960 nan 0.000 0.253 1038 G C 0.145 174.992 174.900 -0.088 0.000 0.979 1038 G CA 0.758 45.818 45.100 -0.068 0.000 0.641 1038 G HN 0.168 8.842 8.290 -0.115 -0.453 0.530 1039 A N 2.120 124.816 122.820 -0.207 0.000 1.902 1039 A HA -0.191 nan 4.320 nan 0.000 0.217 1039 A C 1.625 179.174 177.584 -0.058 0.000 1.181 1039 A CA 2.815 54.712 52.037 -0.234 0.000 0.623 1039 A CB -0.594 18.062 19.000 -0.573 0.000 0.818 1039 A HN -0.459 7.499 8.150 -0.297 0.014 0.443 1040 G N -2.117 106.703 108.800 0.034 0.000 2.513 1040 G HA2 -0.476 nan 3.960 nan 0.000 0.219 1040 G HA3 -0.476 nan 3.960 nan 0.000 0.219 1040 G C 1.471 176.492 174.900 0.201 0.000 1.160 1040 G CA 2.208 47.526 45.100 0.364 0.000 0.767 1040 G HN 0.280 8.761 8.290 -0.188 -0.304 0.571 1041 Q N 1.459 121.321 119.800 0.103 0.000 2.077 1041 Q HA -0.302 nan 4.340 nan 0.000 0.206 1041 Q C 2.820 178.857 176.000 0.062 0.000 0.989 1041 Q CA 2.506 58.351 55.803 0.071 0.000 0.853 1041 Q CB -0.500 28.260 28.738 0.037 0.000 0.907 1041 Q HN 0.131 8.352 8.270 0.067 0.088 0.418 1042 L N -1.710 119.542 121.223 0.048 0.000 1.976 1042 L HA -0.316 nan 4.340 nan 0.000 0.209 1042 L C 1.089 177.999 176.870 0.067 0.000 1.071 1042 L CA 2.354 57.217 54.840 0.038 0.000 0.746 1042 L CB -0.168 41.901 42.059 0.016 0.000 0.890 1042 L HN -0.741 7.510 8.230 0.036 0.000 0.432 1043 A N -6.154 116.735 122.820 0.113 0.000 2.258 1043 A HA -0.060 nan 4.320 nan 0.000 0.206 1043 A C -0.286 177.408 177.584 0.183 0.000 1.222 1043 A CA 0.445 52.576 52.037 0.158 0.000 0.822 1043 A CB -0.571 18.570 19.000 0.235 0.000 0.804 1043 A HN -0.174 8.046 8.150 0.116 0.000 0.483 1044 S N -4.640 111.141 115.700 0.136 0.000 3.419 1044 S HA -0.422 nan 4.470 nan 0.000 0.350 1044 S C -0.838 173.837 174.600 0.124 0.000 1.128 1044 S CA 1.733 59.991 58.200 0.097 0.000 0.999 1044 S CB -1.529 61.695 63.200 0.040 0.000 0.923 1044 S HN -0.311 7.850 8.310 0.109 0.214 0.522 1045 F N 0.174 120.159 119.950 0.058 0.000 2.523 1045 F HA 0.073 nan 4.527 nan 0.000 0.329 1045 F C -1.523 174.320 175.800 0.072 0.000 1.061 1045 F CA -0.924 57.090 58.000 0.024 0.000 0.967 1045 F CB 2.587 41.562 39.000 -0.041 0.000 1.218 1045 F HN -0.497 7.886 8.300 0.346 0.124 0.480 1046 D N 2.594 123.283 120.400 0.481 0.000 2.417 1046 D HA -0.096 nan 4.640 nan 0.000 0.250 1046 D C 0.459 176.966 176.300 0.345 0.000 1.166 1046 D CA 0.344 54.526 54.000 0.303 0.000 0.881 1046 D CB 1.405 42.331 40.800 0.210 0.000 1.164 1046 D HN -0.075 8.611 8.370 0.526 0.000 0.467 1047 D N 5.397 125.978 120.400 0.301 0.000 2.117 1047 D HA -0.271 nan 4.640 nan 0.000 0.198 1047 D C 1.908 178.399 176.300 0.317 0.000 0.982 1047 D CA 3.552 57.768 54.000 0.360 0.000 0.828 1047 D CB 0.466 41.353 40.800 0.144 0.000 0.967 1047 D HN 0.531 9.029 8.370 0.214 0.000 0.464 1048 K N -0.423 120.085 120.400 0.180 0.000 2.160 1048 K HA -0.328 nan 4.320 nan 0.000 0.206 1048 K C 1.579 178.250 176.600 0.118 0.000 1.047 1048 K CA 2.845 59.208 56.287 0.126 0.000 0.930 1048 K CB -0.241 32.309 32.500 0.085 0.000 0.720 1048 K HN -0.138 8.204 8.250 0.153 0.000 0.450 1049 A N -1.492 121.395 122.820 0.112 0.000 2.125 1049 A HA -0.164 nan 4.320 nan 0.000 0.219 1049 A C 2.160 179.648 177.584 -0.160 0.000 1.156 1049 A CA 2.467 54.508 52.037 0.008 0.000 0.671 1049 A CB -1.043 18.014 19.000 0.094 0.000 0.794 1049 A HN -0.341 7.963 8.150 0.160 -0.058 0.459 1050 F N -2.401 117.482 119.950 -0.111 0.000 2.134 1050 F HA -0.426 nan 4.527 nan 0.000 0.299 1050 F C 1.836 177.585 175.800 -0.085 0.000 1.097 1050 F CA 4.322 62.239 58.000 -0.138 0.000 1.264 1050 F CB -0.454 38.472 39.000 -0.124 0.000 1.001 1050 F HN -0.431 7.857 8.300 0.201 0.132 0.479 1051 V N -1.071 118.920 119.914 0.128 0.000 2.270 1051 V HA -0.436 nan 4.120 nan 0.000 0.245 1051 V C 2.392 178.501 176.094 0.026 0.000 1.043 1051 V CA 3.279 65.615 62.300 0.061 0.000 1.014 1051 V CB -0.968 30.887 31.823 0.052 0.000 0.645 1051 V HN -0.423 7.762 8.190 0.161 0.102 0.447 1052 Q N -0.673 119.138 119.800 0.018 0.000 2.248 1052 Q HA -0.357 nan 4.340 nan 0.000 0.208 1052 Q C 1.755 177.743 176.000 -0.021 0.000 0.984 1052 Q CA 2.590 58.394 55.803 0.001 0.000 0.875 1052 Q CB -0.223 28.520 28.738 0.009 0.000 0.910 1052 Q HN 0.010 8.300 8.270 0.033 0.000 0.433 1053 A N -2.824 119.964 122.820 -0.053 0.000 1.903 1053 A HA 0.053 nan 4.320 nan 0.000 0.213 1053 A C 0.141 177.702 177.584 -0.039 0.000 1.185 1053 A CA 0.618 52.609 52.037 -0.075 0.000 0.628 1053 A CB 1.010 19.911 19.000 -0.165 0.000 0.830 1053 A HN -0.266 7.716 8.150 -0.063 0.130 0.446 1054 G N -4.286 104.505 108.800 -0.016 0.000 2.398 1054 G HA2 -0.201 nan 3.960 nan 0.000 0.221 1054 G HA3 -0.201 nan 3.960 nan 0.000 0.221 1054 G C -2.592 172.314 174.900 0.011 0.000 1.112 1054 G CA -0.166 44.934 45.100 -0.001 0.000 0.823 1054 G HN -0.262 7.934 8.290 -0.008 0.089 0.487 1055 A N -0.948 121.889 122.820 0.028 0.000 2.386 1055 A HA 0.565 nan 4.320 nan 0.000 0.311 1055 A C -1.692 175.898 177.584 0.011 0.000 1.068 1055 A CA -1.834 50.221 52.037 0.031 0.000 0.743 1055 A CB 2.630 21.682 19.000 0.088 0.000 1.258 1055 A HN -0.498 7.672 8.150 0.034 0.000 0.429 1056 E N 3.093 123.280 120.200 -0.020 0.000 2.104 1056 E HA -0.026 nan 4.350 nan 0.000 0.278 1056 E C -0.833 175.734 176.600 -0.055 0.000 1.127 1056 E CA -1.007 55.370 56.400 -0.039 0.000 0.897 1056 E CB 0.823 30.484 29.700 -0.065 0.000 1.043 1056 E HN 0.091 8.435 8.360 -0.026 0.000 0.410 1057 I N 6.741 127.285 120.570 -0.043 0.000 2.329 1057 I HA 0.034 nan 4.170 nan 0.000 0.295 1057 I C 0.250 176.328 176.117 -0.066 0.000 1.109 1057 I CA -0.509 60.746 61.300 -0.074 0.000 1.297 1057 I CB -1.567 36.400 38.000 -0.055 0.000 1.433 1057 I HN -0.008 8.189 8.210 -0.021 0.000 0.509 1058 V N 3.941 123.805 119.914 -0.083 0.000 2.904 1058 V HA 0.303 nan 4.120 nan 0.000 0.305 1058 V C 0.688 176.750 176.094 -0.052 0.000 1.067 1058 V CA -2.337 59.925 62.300 -0.063 0.000 1.044 1058 V CB 1.230 33.014 31.823 -0.066 0.000 1.050 1058 V HN 0.565 8.690 8.190 -0.109 0.000 0.475 1059 E N 3.146 123.330 120.200 -0.026 0.000 2.208 1059 E HA -0.102 nan 4.350 nan 0.000 0.193 1059 E C 0.204 176.803 176.600 -0.003 0.000 0.988 1059 E CA 2.635 59.027 56.400 -0.014 0.000 0.828 1059 E CB 0.422 30.121 29.700 -0.001 0.000 0.763 1059 E HN 0.770 9.118 8.360 -0.020 0.000 0.478 1060 G N -2.512 106.298 108.800 0.017 0.000 2.440 1060 G HA2 -0.150 nan 3.960 nan 0.000 0.114 1060 G HA3 -0.150 nan 3.960 nan 0.000 0.114 1060 G C -0.816 174.167 174.900 0.138 0.000 0.940 1060 G CA 0.606 45.741 45.100 0.058 0.000 1.305 1060 G HN -0.701 7.597 8.290 0.013 0.000 0.525 1061 N N 1.882 120.689 118.700 0.178 0.000 2.205 1061 N HA -0.167 nan 4.740 nan 0.000 0.186 1061 N C 2.267 177.947 175.510 0.284 0.000 1.015 1061 N CA 2.300 55.525 53.050 0.290 0.000 0.862 1061 N CB -0.550 38.017 38.487 0.133 0.000 0.986 1061 N HN 0.329 8.780 8.380 0.118 0.000 0.429 1062 S N 0.325 116.112 115.700 0.146 0.000 2.413 1062 S HA -0.360 nan 4.470 nan 0.000 0.237 1062 S C 1.978 176.619 174.600 0.067 0.000 1.044 1062 S CA 2.486 60.747 58.200 0.102 0.000 1.024 1062 S CB -0.593 62.631 63.200 0.040 0.000 0.829 1062 S HN -0.000 8.359 8.310 0.109 0.016 0.475 1063 V N 1.906 121.824 119.914 0.007 0.000 2.380 1063 V HA -0.365 nan 4.120 nan 0.000 0.251 1063 V C 0.984 176.963 176.094 -0.192 0.000 1.063 1063 V CA 4.182 66.388 62.300 -0.157 0.000 1.055 1063 V CB -0.684 30.968 31.823 -0.285 0.000 0.657 1063 V HN 0.016 8.206 8.190 0.035 0.020 0.455 1064 W N -3.993 117.305 121.300 -0.004 0.000 2.611 1064 W HA -0.200 nan 4.660 nan 0.000 0.251 1064 W C 0.383 176.917 176.519 0.025 0.000 1.265 1064 W CA 1.233 58.581 57.345 0.005 0.000 1.295 1064 W CB -0.095 29.366 29.460 0.003 0.000 1.129 1064 W HN -0.434 7.769 8.180 0.268 0.139 0.630 1065 Q N -1.011 118.919 119.800 0.217 0.000 2.673 1065 Q HA 0.216 nan 4.340 nan 0.000 0.224 1065 Q C -0.985 175.133 176.000 0.197 0.000 1.226 1065 Q CA -1.372 54.559 55.803 0.213 0.000 1.019 1065 Q CB -1.804 27.096 28.738 0.268 0.000 1.312 1065 Q HN -0.434 7.770 8.270 0.187 0.177 0.566 1066 S N 2.201 117.954 115.700 0.089 0.000 2.752 1066 S HA 0.350 nan 4.470 nan 0.000 0.284 1066 S C -1.075 173.468 174.600 -0.094 0.000 1.189 1066 S CA -0.785 57.439 58.200 0.041 0.000 0.835 1066 S CB 3.288 66.478 63.200 -0.017 0.000 1.192 1066 S HN -0.485 7.864 8.310 0.066 0.000 0.506 1067 E N 2.895 123.019 120.200 -0.126 0.000 2.015 1067 E HA -0.093 nan 4.350 nan 0.000 0.191 1067 E C -0.628 175.911 176.600 -0.102 0.000 0.991 1067 E CA 2.220 58.492 56.400 -0.214 0.000 0.802 1067 E CB 0.978 30.666 29.700 -0.021 0.000 0.759 1067 E HN 0.210 8.553 8.360 -0.029 0.000 0.447 1068 I N -7.295 113.234 120.570 -0.069 0.000 2.509 1068 I HA 0.650 nan 4.170 nan 0.000 0.293 1068 I C -1.431 174.612 176.117 -0.124 0.000 1.020 1068 I CA -1.791 59.456 61.300 -0.090 0.000 1.088 1068 I CB 2.643 40.559 38.000 -0.140 0.000 1.267 1068 I HN -0.846 7.334 8.210 -0.051 0.000 0.430 1069 I N 4.336 124.831 120.570 -0.125 0.000 2.359 1069 I HA 0.519 nan 4.170 nan 0.000 0.284 1069 I C -1.504 174.507 176.117 -0.177 0.000 1.018 1069 I CA -2.377 58.793 61.300 -0.216 0.000 1.173 1069 I CB -0.696 37.140 38.000 -0.273 0.000 1.326 1069 I HN 0.688 8.848 8.210 -0.084 0.000 0.462 1070 L N 8.077 129.187 121.223 -0.187 0.000 2.257 1070 L HA 0.491 nan 4.340 nan 0.000 0.290 1070 L C -1.489 175.309 176.870 -0.119 0.000 1.044 1070 L CA -0.557 54.215 54.840 -0.115 0.000 0.810 1070 L CB 0.196 42.188 42.059 -0.111 0.000 1.193 1070 L HN 0.480 8.575 8.230 -0.226 0.000 0.425 1071 K N 3.778 124.140 120.400 -0.063 0.000 2.502 1071 K HA 0.290 nan 4.320 nan 0.000 0.257 1071 K C -0.900 175.624 176.600 -0.126 0.000 0.938 1071 K CA -2.104 54.117 56.287 -0.110 0.000 0.819 1071 K CB 3.891 36.348 32.500 -0.071 0.000 1.333 1071 K HN 0.316 8.571 8.250 0.010 0.000 0.434 1072 V N 4.389 124.132 119.914 -0.286 0.000 2.256 1072 V HA 0.016 nan 4.120 nan 0.000 0.240 1072 V C 1.049 177.005 176.094 -0.229 0.000 1.036 1072 V CA 3.172 65.102 62.300 -0.616 0.000 1.008 1072 V CB 0.436 31.900 31.823 -0.599 0.000 0.648 1072 V HN 0.410 8.470 8.190 -0.217 0.000 0.453 1073 N N -0.864 117.861 118.700 0.041 0.000 2.823 1073 N HA 0.214 nan 4.740 nan 0.000 0.324 1073 N C -1.286 174.361 175.510 0.228 0.000 1.336 1073 N CA -0.831 52.387 53.050 0.281 0.000 0.861 1073 N CB 1.679 40.311 38.487 0.242 0.000 1.157 1073 N HN -0.150 8.565 8.380 0.001 -0.334 0.585 1074 A N -0.124 122.841 122.820 0.241 0.000 2.483 1074 A HA 0.099 nan 4.320 nan 0.000 0.238 1074 A C -1.573 176.101 177.584 0.149 0.000 1.070 1074 A CA -0.786 51.360 52.037 0.182 0.000 0.770 1074 A CB -0.664 18.427 19.000 0.152 0.000 1.008 1074 A HN 0.206 8.520 8.150 0.275 0.000 0.497 1075 P HA 0.033 nan 4.420 nan 0.000 0.271 1075 P C -1.210 176.114 177.300 0.039 0.000 1.226 1075 P CA 0.175 63.347 63.100 0.120 0.000 0.765 1075 P CB -0.049 31.715 31.700 0.107 0.000 0.835 1076 L N 4.452 125.684 121.223 0.016 0.000 2.476 1076 L HA -0.125 nan 4.340 nan 0.000 0.264 1076 L C 1.277 178.108 176.870 -0.065 0.000 1.224 1076 L CA 0.009 54.840 54.840 -0.015 0.000 0.821 1076 L CB 0.343 42.396 42.059 -0.009 0.000 1.101 1076 L HN 0.095 8.688 8.230 0.039 -0.339 0.488 1077 D N 0.363 120.729 120.400 -0.057 0.000 2.264 1077 D HA -0.254 nan 4.640 nan 0.000 0.208 1077 D C 1.383 177.620 176.300 -0.106 0.000 0.966 1077 D CA 3.766 57.725 54.000 -0.069 0.000 0.864 1077 D CB -0.403 40.370 40.800 -0.045 0.000 0.933 1077 D HN 0.560 8.905 8.370 -0.042 0.000 0.499 1078 D N -0.465 119.862 120.400 -0.122 0.000 2.084 1078 D HA -0.240 nan 4.640 nan 0.000 0.196 1078 D C 2.065 178.190 176.300 -0.292 0.000 0.985 1078 D CA 3.093 56.996 54.000 -0.162 0.000 0.826 1078 D CB -1.086 39.636 40.800 -0.129 0.000 0.978 1078 D HN 0.298 8.586 8.370 -0.096 0.025 0.456 1079 E N -0.393 119.581 120.200 -0.378 0.000 2.118 1079 E HA -0.302 nan 4.350 nan 0.000 0.195 1079 E C 2.443 178.653 176.600 -0.651 0.000 0.992 1079 E CA 2.393 58.324 56.400 -0.781 0.000 0.804 1079 E CB -0.367 28.971 29.700 -0.603 0.000 0.741 1079 E HN -0.040 8.166 8.360 -0.257 0.000 0.458 1080 I N -0.638 119.751 120.570 -0.302 0.000 2.127 1080 I HA -0.460 nan 4.170 nan 0.000 0.241 1080 I C 2.245 178.262 176.117 -0.167 0.000 1.075 1080 I CA 3.518 64.716 61.300 -0.171 0.000 1.334 1080 I CB -0.091 37.857 38.000 -0.086 0.000 1.040 1080 I HN 0.235 8.211 8.210 -0.233 0.095 0.405 1081 A N -1.255 121.463 122.820 -0.170 0.000 2.125 1081 A HA -0.223 nan 4.320 nan 0.000 0.219 1081 A C 1.494 178.979 177.584 -0.166 0.000 1.156 1081 A CA 2.572 54.528 52.037 -0.135 0.000 0.671 1081 A CB -0.767 18.165 19.000 -0.114 0.000 0.794 1081 A HN -0.322 7.727 8.150 -0.169 0.000 0.459 1082 L N -4.941 116.101 121.223 -0.301 0.000 2.375 1082 L HA -0.135 nan 4.340 nan 0.000 0.215 1082 L C 0.119 176.923 176.870 -0.111 0.000 1.108 1082 L CA 0.081 54.748 54.840 -0.288 0.000 0.830 1082 L CB 0.057 41.731 42.059 -0.643 0.000 0.959 1082 L HN -0.672 7.143 8.230 -0.418 0.164 0.457 1083 L N -0.319 120.852 121.223 -0.086 0.000 2.584 1083 L HA -0.239 nan 4.340 nan 0.000 0.272 1083 L C -0.687 176.230 176.870 0.078 0.000 1.195 1083 L CA 0.599 55.498 54.840 0.098 0.000 0.920 1083 L CB -0.022 42.091 42.059 0.089 0.000 1.173 1083 L HN -0.821 7.180 8.230 -0.207 0.106 0.489 1084 N N 6.756 125.524 118.700 0.114 0.000 2.444 1084 N HA 0.157 nan 4.740 nan 0.000 0.271 1084 N C -2.280 173.260 175.510 0.049 0.000 1.069 1084 N CA -1.764 51.329 53.050 0.072 0.000 0.965 1084 N CB 0.745 39.279 38.487 0.078 0.000 1.092 1084 N HN 0.323 8.798 8.380 0.157 0.000 0.476 1085 P HA -0.252 nan 4.420 nan 0.000 0.262 1085 P C -0.988 176.328 177.300 0.026 0.000 1.199 1085 P CA 0.942 64.057 63.100 0.024 0.000 0.763 1085 P CB -0.404 31.303 31.700 0.013 0.000 0.790 1086 G N 4.879 113.698 108.800 0.032 0.000 2.953 1086 G HA2 -0.287 nan 3.960 nan 0.000 0.201 1086 G HA3 -0.287 nan 3.960 nan 0.000 0.201 1086 G C -0.366 174.557 174.900 0.040 0.000 1.501 1086 G CA -0.164 44.962 45.100 0.042 0.000 1.094 1086 G HN 0.466 8.659 8.290 0.032 0.117 0.555 1087 T N 8.130 122.699 114.554 0.025 0.000 2.867 1087 T HA -0.297 nan 4.350 nan 0.000 0.290 1087 T C 0.601 175.313 174.700 0.020 0.000 1.025 1087 T CA 2.305 64.406 62.100 0.002 0.000 1.146 1087 T CB -0.156 68.723 68.868 0.018 0.000 1.024 1087 T HN -0.362 7.830 8.240 0.029 0.065 0.519 1088 T N 9.357 123.913 114.554 0.005 0.000 2.750 1088 T HA 0.045 nan 4.350 nan 0.000 0.286 1088 T C -1.277 173.424 174.700 0.002 0.000 0.911 1088 T CA 0.962 63.070 62.100 0.014 0.000 1.130 1088 T CB -0.711 68.165 68.868 0.013 0.000 0.873 1088 T HN 0.360 8.590 8.240 -0.016 0.000 0.536 1089 L N 8.852 130.090 121.223 0.024 0.000 2.289 1089 L HA 0.779 nan 4.340 nan 0.000 0.285 1089 L C -2.155 174.719 176.870 0.008 0.000 1.049 1089 L CA -0.564 54.294 54.840 0.029 0.000 0.804 1089 L CB 2.360 44.465 42.059 0.077 0.000 1.195 1089 L HN 0.160 8.279 8.230 0.035 0.132 0.428 1090 V N 7.654 127.559 119.914 -0.015 0.000 2.419 1090 V HA 0.641 nan 4.120 nan 0.000 0.287 1090 V C -1.656 174.431 176.094 -0.011 0.000 1.017 1090 V CA -1.153 61.126 62.300 -0.035 0.000 0.844 1090 V CB 0.794 32.570 31.823 -0.078 0.000 1.011 1090 V HN 0.929 9.105 8.190 -0.024 0.000 0.429 1091 S N 4.162 119.865 115.700 0.005 0.000 2.615 1091 S HA 0.627 nan 4.470 nan 0.000 0.269 1091 S C -1.362 173.284 174.600 0.077 0.000 1.161 1091 S CA -1.147 57.083 58.200 0.051 0.000 0.817 1091 S CB 4.078 67.329 63.200 0.086 0.000 1.131 1091 S HN 0.542 8.846 8.310 -0.009 0.000 0.467 1092 F N 1.858 121.867 119.950 0.098 0.000 2.506 1092 F HA -0.071 nan 4.527 nan 0.000 0.369 1092 F C 0.002 175.809 175.800 0.012 0.000 1.114 1092 F CA 0.953 58.931 58.000 -0.037 0.000 1.121 1092 F CB -1.063 38.030 39.000 0.156 0.000 1.104 1092 F HN 0.509 8.743 8.300 0.072 0.109 0.564 1093 I N 0.893 121.500 120.570 0.060 0.000 3.172 1093 I HA -0.002 nan 4.170 nan 0.000 0.278 1093 I C -0.184 176.031 176.117 0.163 0.000 1.174 1093 I CA -0.278 61.072 61.300 0.083 0.000 1.445 1093 I CB 1.461 39.449 38.000 -0.020 0.000 1.175 1093 I HN 0.195 8.624 8.210 -0.074 -0.264 0.447 1094 W N -3.896 117.398 121.300 -0.009 0.000 6.111 1094 W HA -0.214 nan 4.660 nan 0.000 0.409 1094 W C -2.116 174.331 176.519 -0.120 0.000 1.586 1094 W CA -0.219 57.096 57.345 -0.051 0.000 1.027 1094 W CB -2.508 26.923 29.460 -0.048 0.000 2.784 1094 W HN -0.528 7.861 8.180 -0.410 -0.454 1.485 1095 P HA -0.389 nan 4.420 nan 0.000 0.216 1095 P C 0.997 178.067 177.300 -0.384 0.000 1.167 1095 P CA 3.431 66.255 63.100 -0.459 0.000 0.933 1095 P CB -0.283 30.807 31.700 -1.017 0.000 0.793 1096 A N -4.479 118.251 122.820 -0.151 0.000 2.019 1096 A HA -0.215 nan 4.320 nan 0.000 0.219 1096 A C 1.678 179.322 177.584 0.101 0.000 1.164 1096 A CA 2.492 54.609 52.037 0.135 0.000 0.644 1096 A CB -0.844 18.357 19.000 0.334 0.000 0.805 1096 A HN 0.275 8.397 8.150 -0.046 0.000 0.449 1097 Q N -4.900 114.956 119.800 0.092 0.000 2.331 1097 Q HA -0.042 nan 4.340 nan 0.000 0.203 1097 Q C 0.311 176.335 176.000 0.040 0.000 0.944 1097 Q CA 1.161 57.008 55.803 0.074 0.000 0.892 1097 Q CB 0.674 29.462 28.738 0.083 0.000 0.983 1097 Q HN -0.424 7.889 8.270 0.115 0.025 0.482 1098 N N -1.040 117.677 118.700 0.029 0.000 2.806 1098 N HA 0.490 nan 4.740 nan 0.000 0.315 1098 N C -2.253 173.244 175.510 -0.022 0.000 1.738 1098 N CA -1.773 51.284 53.050 0.011 0.000 0.993 1098 N CB 0.546 39.058 38.487 0.040 0.000 1.324 1098 N HN -0.636 7.578 8.380 0.010 0.172 0.493 1099 P HA -0.213 nan 4.420 nan 0.000 0.215 1099 P C 0.929 178.233 177.300 0.006 0.000 1.153 1099 P CA 2.843 65.947 63.100 0.007 0.000 0.853 1099 P CB 0.091 31.819 31.700 0.046 0.000 0.788 1100 E N -3.313 116.892 120.200 0.009 0.000 2.158 1100 E HA -0.300 nan 4.350 nan 0.000 0.191 1100 E C 1.905 178.507 176.600 0.003 0.000 0.982 1100 E CA 2.572 58.978 56.400 0.009 0.000 0.823 1100 E CB -0.898 28.807 29.700 0.009 0.000 0.766 1100 E HN 0.409 8.757 8.360 0.010 0.018 0.468 1101 L N 0.344 121.567 121.223 0.001 0.000 2.017 1101 L HA -0.269 nan 4.340 nan 0.000 0.208 1101 L C 1.739 178.605 176.870 -0.007 0.000 1.073 1101 L CA 3.314 58.156 54.840 0.003 0.000 0.745 1101 L CB -0.320 41.748 42.059 0.015 0.000 0.894 1101 L HN -0.491 7.740 8.230 0.002 0.000 0.432 1102 M N -2.428 117.153 119.600 -0.031 0.000 2.110 1102 M HA -0.547 nan 4.480 nan 0.000 0.257 1102 M C 2.405 178.701 176.300 -0.007 0.000 1.071 1102 M CA 2.957 58.229 55.300 -0.046 0.000 1.096 1102 M CB -1.639 30.902 32.600 -0.098 0.000 1.300 1102 M HN -0.071 8.196 8.290 -0.039 0.000 0.411 1103 Q N -0.928 118.875 119.800 0.006 0.000 2.061 1103 Q HA -0.349 nan 4.340 nan 0.000 0.204 1103 Q C 2.177 178.185 176.000 0.013 0.000 0.984 1103 Q CA 3.200 59.014 55.803 0.019 0.000 0.846 1103 Q CB -0.632 28.120 28.738 0.023 0.000 0.902 1103 Q HN -0.287 7.985 8.270 0.003 0.000 0.421 1104 K N -0.449 119.955 120.400 0.007 0.000 2.097 1104 K HA -0.282 nan 4.320 nan 0.000 0.206 1104 K C 2.796 179.399 176.600 0.004 0.000 1.049 1104 K CA 3.379 59.667 56.287 0.002 0.000 0.933 1104 K CB -0.247 32.251 32.500 -0.004 0.000 0.717 1104 K HN -0.294 7.959 8.250 0.005 0.000 0.442 1105 L N -1.784 119.444 121.223 0.009 0.000 2.156 1105 L HA -0.259 nan 4.340 nan 0.000 0.208 1105 L C 1.678 178.561 176.870 0.022 0.000 1.095 1105 L CA 2.711 57.561 54.840 0.017 0.000 0.770 1105 L CB -0.511 41.560 42.059 0.020 0.000 0.914 1105 L HN -0.212 7.910 8.230 0.006 0.112 0.439 1106 A N -0.598 122.236 122.820 0.022 0.000 1.898 1106 A HA -0.276 nan 4.320 nan 0.000 0.216 1106 A C 2.632 180.230 177.584 0.024 0.000 1.181 1106 A CA 2.954 55.009 52.037 0.029 0.000 0.620 1106 A CB -0.966 18.056 19.000 0.036 0.000 0.819 1106 A HN 0.256 8.338 8.150 0.018 0.079 0.442 1107 E N -1.087 119.124 120.200 0.018 0.000 2.085 1107 E HA -0.304 nan 4.350 nan 0.000 0.194 1107 E C 2.128 178.735 176.600 0.010 0.000 0.994 1107 E CA 2.415 58.823 56.400 0.013 0.000 0.801 1107 E CB 0.106 29.811 29.700 0.008 0.000 0.743 1107 E HN -0.194 8.176 8.360 0.017 0.000 0.453 1108 R N -4.884 115.622 120.500 0.010 0.000 2.339 1108 R HA -0.003 nan 4.340 nan 0.000 0.199 1108 R C -0.532 175.780 176.300 0.020 0.000 1.018 1108 R CA -1.040 55.066 56.100 0.011 0.000 1.036 1108 R CB -0.618 29.687 30.300 0.008 0.000 0.899 1108 R HN -0.397 7.879 8.270 0.009 0.000 0.473 1109 N N -3.232 115.481 118.700 0.023 0.000 2.725 1109 N HA -0.358 nan 4.740 nan 0.000 0.249 1109 N C -1.010 174.518 175.510 0.032 0.000 1.103 1109 N CA 1.344 54.408 53.050 0.025 0.000 0.707 1109 N CB -0.625 37.873 38.487 0.018 0.000 1.043 1109 N HN -0.626 7.561 8.380 0.022 0.206 0.553 1110 V N -6.846 113.091 119.914 0.038 0.000 2.743 1110 V HA 0.600 nan 4.120 nan 0.000 0.301 1110 V C 0.142 176.265 176.094 0.048 0.000 1.057 1110 V CA -2.544 59.784 62.300 0.047 0.000 1.006 1110 V CB 0.779 32.638 31.823 0.061 0.000 1.024 1110 V HN -0.549 7.663 8.190 0.037 0.000 0.473 1111 T N 6.188 120.771 114.554 0.050 0.000 3.185 1111 T HA 0.118 nan 4.350 nan 0.000 0.287 1111 T C -0.079 174.655 174.700 0.056 0.000 1.051 1111 T CA 0.491 62.626 62.100 0.059 0.000 1.051 1111 T CB -1.915 66.990 68.868 0.062 0.000 1.034 1111 T HN 0.228 8.382 8.240 0.046 0.114 0.685 1112 V N 8.215 128.162 119.914 0.055 0.000 2.498 1112 V HA 0.347 nan 4.120 nan 0.000 0.279 1112 V C -1.395 174.718 176.094 0.031 0.000 1.048 1112 V CA -0.295 62.027 62.300 0.037 0.000 0.967 1112 V CB 0.400 32.237 31.823 0.023 0.000 0.988 1112 V HN 0.627 8.772 8.190 0.062 0.082 0.473 1113 M N 6.135 125.740 119.600 0.009 0.000 2.190 1113 M HA 0.530 nan 4.480 nan 0.000 0.312 1113 M C -1.784 174.495 176.300 -0.036 0.000 0.990 1113 M CA -1.236 54.058 55.300 -0.010 0.000 0.927 1113 M CB 3.465 36.050 32.600 -0.024 0.000 1.571 1113 M HN 0.848 9.141 8.290 0.006 0.000 0.427 1114 A N 4.432 127.221 122.820 -0.051 0.000 2.506 1114 A HA 0.330 nan 4.320 nan 0.000 0.320 1114 A C 0.803 178.335 177.584 -0.088 0.000 1.424 1114 A CA -0.965 51.027 52.037 -0.075 0.000 1.044 1114 A CB -0.042 18.889 19.000 -0.114 0.000 1.140 1114 A HN 0.901 9.026 8.150 -0.041 0.000 0.538 1115 M N 4.029 123.579 119.600 -0.085 0.000 2.267 1115 M HA -0.401 nan 4.480 nan 0.000 0.263 1115 M C 1.126 177.404 176.300 -0.037 0.000 1.063 1115 M CA 1.717 56.939 55.300 -0.130 0.000 1.090 1115 M CB -1.467 30.962 32.600 -0.285 0.000 1.392 1115 M HN 0.556 8.711 8.290 -0.062 0.098 0.422 1116 D N -3.083 117.317 120.400 0.000 0.000 2.183 1116 D HA -0.158 nan 4.640 nan 0.000 0.205 1116 D C 1.022 177.168 176.300 -0.257 0.000 0.962 1116 D CA 2.581 56.444 54.000 -0.228 0.000 0.849 1116 D CB -0.467 39.711 40.800 -1.035 0.000 0.978 1116 D HN 0.076 8.426 8.370 0.002 0.022 0.488 1117 S N -0.381 115.198 115.700 -0.201 0.000 2.577 1117 S HA 0.153 nan 4.470 nan 0.000 0.239 1117 S C -0.355 174.216 174.600 -0.049 0.000 1.236 1117 S CA -0.287 57.847 58.200 -0.109 0.000 1.233 1117 S CB 0.336 63.496 63.200 -0.067 0.000 0.908 1117 S HN -0.590 7.489 8.310 -0.183 0.121 0.493 1118 V N 3.668 123.546 119.914 -0.060 0.000 2.455 1118 V HA 0.067 nan 4.120 nan 0.000 0.273 1118 V C -2.218 173.859 176.094 -0.028 0.000 1.045 1118 V CA -2.190 60.082 62.300 -0.048 0.000 0.976 1118 V CB -0.223 31.562 31.823 -0.063 0.000 0.993 1118 V HN -0.577 7.492 8.190 -0.075 0.075 0.475 1119 P HA 0.004 nan 4.420 nan 0.000 0.258 1119 P C -0.733 176.559 177.300 -0.014 0.000 1.214 1119 P CA -0.083 63.011 63.100 -0.010 0.000 0.872 1119 P CB 0.357 32.046 31.700 -0.018 0.000 0.890 1120 R N 4.924 125.421 120.500 -0.005 0.000 3.641 1120 R HA -0.037 nan 4.340 nan 0.000 0.189 1120 R C -0.391 175.906 176.300 -0.005 0.000 1.706 1120 R CA 0.273 56.370 56.100 -0.005 0.000 1.311 1120 R CB -1.463 28.839 30.300 0.003 0.000 1.330 1120 R HN 0.266 8.537 8.270 0.002 0.000 0.727 1121 I N -1.242 119.321 120.570 -0.011 0.000 4.011 1121 I HA 0.435 nan 4.170 nan 0.000 0.258 1121 I C 0.525 176.634 176.117 -0.013 0.000 1.393 1121 I CA -2.249 59.044 61.300 -0.011 0.000 1.045 1121 I CB 1.586 39.578 38.000 -0.014 0.000 1.523 1121 I HN -0.017 8.127 8.210 -0.016 0.056 0.613 1122 S N 1.394 117.086 115.700 -0.013 0.000 2.357 1122 S HA -0.175 nan 4.470 nan 0.000 0.221 1122 S C 1.505 176.094 174.600 -0.018 0.000 1.031 1122 S CA 3.289 61.481 58.200 -0.014 0.000 0.982 1122 S CB -0.634 62.559 63.200 -0.012 0.000 0.853 1122 S HN 0.234 8.536 8.310 -0.013 0.000 0.458 1123 R N -0.703 119.784 120.500 -0.021 0.000 2.189 1123 R HA -0.139 nan 4.340 nan 0.000 0.218 1123 R C 1.433 177.713 176.300 -0.033 0.000 1.074 1123 R CA 2.209 58.293 56.100 -0.025 0.000 0.991 1123 R CB -0.757 29.528 30.300 -0.024 0.000 0.883 1123 R HN -0.029 8.229 8.270 -0.020 0.000 0.457 1124 A N 0.797 123.598 122.820 -0.032 0.000 1.892 1124 A HA -0.284 nan 4.320 nan 0.000 0.218 1124 A C 2.273 179.834 177.584 -0.039 0.000 1.188 1124 A CA 2.705 54.719 52.037 -0.038 0.000 0.631 1124 A CB -1.258 17.724 19.000 -0.031 0.000 0.822 1124 A HN 0.063 8.175 8.150 -0.028 0.022 0.447 1125 Q N -2.761 117.022 119.800 -0.028 0.000 2.152 1125 Q HA -0.359 nan 4.340 nan 0.000 0.206 1125 Q C 2.616 178.596 176.000 -0.035 0.000 0.985 1125 Q CA 3.008 58.797 55.803 -0.025 0.000 0.863 1125 Q CB -0.696 28.034 28.738 -0.013 0.000 0.904 1125 Q HN -0.344 7.912 8.270 -0.023 0.000 0.422 1126 S N -1.571 114.107 115.700 -0.038 0.000 2.383 1126 S HA -0.269 nan 4.470 nan 0.000 0.229 1126 S C 1.347 175.905 174.600 -0.070 0.000 1.030 1126 S CA 3.272 61.444 58.200 -0.047 0.000 1.002 1126 S CB -0.602 62.574 63.200 -0.040 0.000 0.829 1126 S HN -0.536 7.754 8.310 -0.033 0.000 0.467 1127 L N -2.455 118.722 121.223 -0.077 0.000 2.375 1127 L HA -0.008 nan 4.340 nan 0.000 0.215 1127 L C 0.117 176.906 176.870 -0.134 0.000 1.108 1127 L CA 0.254 55.029 54.840 -0.108 0.000 0.830 1127 L CB 0.556 42.558 42.059 -0.095 0.000 0.959 1127 L HN -0.758 7.322 8.230 -0.062 0.112 0.457 1128 D N -0.864 119.479 120.400 -0.096 0.000 2.339 1128 D HA -0.043 nan 4.640 nan 0.000 0.256 1128 D C 0.284 176.535 176.300 -0.082 0.000 1.214 1128 D CA -0.222 53.728 54.000 -0.083 0.000 0.877 1128 D CB 1.690 42.465 40.800 -0.042 0.000 1.111 1128 D HN -0.528 7.620 8.370 -0.073 0.178 0.478 1129 A N 7.145 129.893 122.820 -0.120 0.000 1.933 1129 A HA -0.195 nan 4.320 nan 0.000 0.218 1129 A C 1.676 179.359 177.584 0.165 0.000 1.175 1129 A CA 3.094 55.067 52.037 -0.106 0.000 0.628 1129 A CB -0.022 18.819 19.000 -0.266 0.000 0.814 1129 A HN 0.581 8.645 8.150 -0.142 0.000 0.444 1130 L N -3.399 117.939 121.223 0.192 0.000 2.265 1130 L HA -0.358 nan 4.340 nan 0.000 0.215 1130 L C 1.928 178.866 176.870 0.112 0.000 1.117 1130 L CA 2.390 57.333 54.840 0.172 0.000 0.782 1130 L CB -0.701 41.404 42.059 0.077 0.000 0.914 1130 L HN -0.322 8.205 8.230 0.127 -0.221 0.441 1131 S N 0.512 116.251 115.700 0.064 0.000 2.338 1131 S HA -0.363 nan 4.470 nan 0.000 0.218 1131 S C 2.168 176.806 174.600 0.063 0.000 1.032 1131 S CA 3.841 62.069 58.200 0.048 0.000 0.999 1131 S CB -0.567 62.643 63.200 0.017 0.000 0.905 1131 S HN -0.344 7.997 8.310 0.041 -0.007 0.439 1132 S N 3.775 119.509 115.700 0.057 0.000 2.368 1132 S HA -0.308 nan 4.470 nan 0.000 0.225 1132 S C 2.411 177.081 174.600 0.115 0.000 1.030 1132 S CA 3.233 61.473 58.200 0.066 0.000 0.999 1132 S CB -0.140 63.086 63.200 0.044 0.000 0.844 1132 S HN -0.808 7.523 8.310 0.034 0.000 0.459 1133 M N 0.065 119.771 119.600 0.177 0.000 2.159 1133 M HA -0.281 nan 4.480 nan 0.000 0.263 1133 M C 2.146 178.543 176.300 0.162 0.000 1.063 1133 M CA 1.513 56.943 55.300 0.217 0.000 1.110 1133 M CB -1.270 31.543 32.600 0.355 0.000 1.374 1133 M HN 0.314 8.717 8.290 0.189 0.000 0.411 1134 A N -0.520 122.381 122.820 0.136 0.000 1.898 1134 A HA -0.348 nan 4.320 nan 0.000 0.216 1134 A C 1.906 179.551 177.584 0.102 0.000 1.181 1134 A CA 3.170 55.274 52.037 0.110 0.000 0.620 1134 A CB -0.901 18.154 19.000 0.092 0.000 0.819 1134 A HN 0.305 8.432 8.150 0.135 0.104 0.442 1135 N N -1.188 117.567 118.700 0.091 0.000 2.166 1135 N HA -0.289 nan 4.740 nan 0.000 0.186 1135 N C 2.145 177.716 175.510 0.102 0.000 1.019 1135 N CA 3.328 56.426 53.050 0.080 0.000 0.856 1135 N CB 0.221 38.739 38.487 0.052 0.000 0.993 1135 N HN -0.138 8.213 8.380 0.089 0.083 0.426 1136 I N -0.371 120.264 120.570 0.108 0.000 2.099 1136 I HA -0.478 nan 4.170 nan 0.000 0.239 1136 I C 1.637 177.855 176.117 0.169 0.000 1.066 1136 I CA 2.782 64.162 61.300 0.133 0.000 1.324 1136 I CB -0.992 37.084 38.000 0.126 0.000 1.037 1136 I HN 0.221 8.475 8.210 0.106 0.020 0.401 1137 A N -1.679 121.225 122.820 0.140 0.000 2.019 1137 A HA -0.243 nan 4.320 nan 0.000 0.219 1137 A C 2.467 180.122 177.584 0.118 0.000 1.164 1137 A CA 2.936 55.049 52.037 0.127 0.000 0.644 1137 A CB -0.797 18.270 19.000 0.113 0.000 0.805 1137 A HN 0.096 8.261 8.150 0.132 0.064 0.449 1138 G N -0.923 107.950 108.800 0.123 0.000 2.434 1138 G HA2 -0.320 nan 3.960 nan 0.000 0.214 1138 G HA3 -0.320 nan 3.960 nan 0.000 0.214 1138 G C 0.501 175.479 174.900 0.130 0.000 1.202 1138 G CA 1.676 46.843 45.100 0.111 0.000 0.788 1138 G HN 0.232 8.390 8.290 0.122 0.205 0.539 1139 Y N 3.856 124.169 120.300 0.022 0.000 2.151 1139 Y HA -0.411 nan 4.550 nan 0.000 0.284 1139 Y C 1.721 177.627 175.900 0.010 0.000 1.166 1139 Y CA 3.236 61.337 58.100 0.002 0.000 1.163 1139 Y CB 0.238 38.697 38.460 -0.001 0.000 0.974 1139 Y HN -0.576 7.858 8.280 0.256 0.000 0.511 1140 R N -1.090 119.472 120.500 0.104 0.000 2.148 1140 R HA -0.339 nan 4.340 nan 0.000 0.223 1140 R C 2.035 178.338 176.300 0.007 0.000 1.088 1140 R CA 1.129 57.240 56.100 0.018 0.000 0.985 1140 R CB -1.134 29.236 30.300 0.116 0.000 0.880 1140 R HN 0.275 8.564 8.270 0.210 0.108 0.451 1141 A N 0.872 123.713 122.820 0.035 0.000 1.877 1141 A HA -0.220 nan 4.320 nan 0.000 0.216 1141 A C 2.220 179.822 177.584 0.030 0.000 1.186 1141 A CA 3.153 55.216 52.037 0.044 0.000 0.620 1141 A CB -0.962 18.067 19.000 0.048 0.000 0.822 1141 A HN 0.161 8.131 8.150 0.056 0.214 0.443 1142 I N -2.481 118.074 120.570 -0.025 0.000 2.208 1142 I HA -0.437 nan 4.170 nan 0.000 0.245 1142 I C 2.196 178.252 176.117 -0.101 0.000 1.097 1142 I CA 2.605 63.865 61.300 -0.067 0.000 1.363 1142 I CB -1.580 36.250 38.000 -0.284 0.000 1.051 1142 I HN -0.537 7.649 8.210 -0.040 0.000 0.413 1143 V N 0.940 120.715 119.914 -0.232 0.000 2.244 1143 V HA -0.462 nan 4.120 nan 0.000 0.244 1143 V C 2.346 178.460 176.094 0.034 0.000 1.042 1143 V CA 5.060 67.251 62.300 -0.182 0.000 1.006 1143 V CB -0.790 30.832 31.823 -0.335 0.000 0.641 1143 V HN 0.233 8.158 8.190 -0.310 0.079 0.446 1144 E N -1.717 118.526 120.200 0.072 0.000 2.110 1144 E HA -0.387 nan 4.350 nan 0.000 0.193 1144 E C 2.292 179.018 176.600 0.210 0.000 0.988 1144 E CA 2.922 59.441 56.400 0.198 0.000 0.804 1144 E CB -0.585 29.270 29.700 0.259 0.000 0.745 1144 E HN 0.011 8.389 8.360 0.030 0.000 0.458 1145 A N -0.497 122.408 122.820 0.141 0.000 1.849 1145 A HA -0.310 nan 4.320 nan 0.000 0.217 1145 A C 2.048 179.762 177.584 0.216 0.000 1.202 1145 A CA 3.015 55.112 52.037 0.101 0.000 0.629 1145 A CB -0.812 18.235 19.000 0.078 0.000 0.834 1145 A HN 0.312 8.529 8.150 0.111 0.000 0.447 1146 A N -3.110 119.947 122.820 0.395 0.000 2.076 1146 A HA -0.281 nan 4.320 nan 0.000 0.220 1146 A C 1.608 179.393 177.584 0.334 0.000 1.160 1146 A CA 2.370 54.712 52.037 0.509 0.000 0.653 1146 A CB -0.502 18.791 19.000 0.488 0.000 0.801 1146 A HN -0.112 8.272 8.150 0.391 0.000 0.455 1147 H N -1.285 117.886 119.070 0.167 0.000 2.353 1147 H HA -0.183 nan 4.556 nan 0.000 0.300 1147 H C 1.287 176.685 175.328 0.118 0.000 1.090 1147 H CA 2.617 58.739 56.048 0.122 0.000 1.327 1147 H CB 0.347 30.175 29.762 0.111 0.000 1.383 1147 H HN -0.148 8.199 8.280 0.327 0.128 0.508 1148 E N -3.929 116.257 120.200 -0.023 0.000 2.498 1148 E HA -0.021 nan 4.350 nan 0.000 0.203 1148 E C -0.471 176.165 176.600 0.061 0.000 1.013 1148 E CA -1.198 55.141 56.400 -0.102 0.000 0.927 1148 E CB 0.466 30.080 29.700 -0.143 0.000 1.012 1148 E HN -0.411 7.935 8.360 0.125 0.089 0.482 1149 F N 0.494 120.420 119.950 -0.040 0.000 2.471 1149 F HA -0.061 nan 4.527 nan 0.000 0.353 1149 F C 0.683 176.455 175.800 -0.048 0.000 1.113 1149 F CA -0.741 57.226 58.000 -0.054 0.000 1.262 1149 F CB 0.929 39.905 39.000 -0.039 0.000 1.146 1149 F HN -0.424 7.864 8.300 0.284 0.182 0.578 1150 G N 4.888 113.747 108.800 0.097 0.000 2.394 1150 G HA2 -0.154 nan 3.960 nan 0.000 0.215 1150 G HA3 -0.154 nan 3.960 nan 0.000 0.215 1150 G C -0.388 174.220 174.900 -0.487 0.000 1.165 1150 G CA 0.709 45.711 45.100 -0.163 0.000 0.784 1150 G HN 0.325 8.758 8.290 0.395 0.093 0.535 1151 R N -2.212 117.563 120.500 -1.208 0.000 2.893 1151 R HA 0.202 nan 4.340 nan 0.000 0.245 1151 R C -1.143 174.657 176.300 -0.834 0.000 1.192 1151 R CA -1.468 54.043 56.100 -0.981 0.000 1.077 1151 R CB 2.493 32.290 30.300 -0.838 0.000 1.253 1151 R HN -0.600 6.286 8.270 -2.308 0.000 0.505 1152 F N -1.725 117.948 119.950 -0.461 0.000 2.440 1152 F HA 0.018 nan 4.527 nan 0.000 0.323 1152 F C 0.731 176.517 175.800 -0.024 0.000 1.192 1152 F CA -1.359 56.551 58.000 -0.151 0.000 1.252 1152 F CB 0.370 39.353 39.000 -0.029 0.000 1.214 1152 F HN 0.258 8.366 8.300 -0.319 0.000 0.578 1153 F N 0.033 120.160 119.950 0.295 0.000 2.147 1153 F HA -0.069 nan 4.527 nan 0.000 0.291 1153 F C 0.585 176.508 175.800 0.205 0.000 1.093 1153 F CA 3.148 61.325 58.000 0.295 0.000 1.263 1153 F CB 0.167 39.288 39.000 0.201 0.000 1.036 1153 F HN -0.002 8.699 8.300 0.669 0.000 0.481 1154 T N 2.392 117.165 114.554 0.366 0.000 2.853 1154 T HA -0.093 nan 4.350 nan 0.000 0.298 1154 T C 0.416 175.278 174.700 0.269 0.000 0.978 1154 T CA 0.702 62.943 62.100 0.235 0.000 1.152 1154 T CB -0.397 68.535 68.868 0.107 0.000 0.914 1154 T HN -0.469 7.980 8.240 0.348 0.000 0.539 1155 G N 5.568 114.481 108.800 0.188 0.000 3.008 1155 G HA2 -0.045 nan 3.960 nan 0.000 0.272 1155 G HA3 -0.045 nan 3.960 nan 0.000 0.272 1155 G C -1.847 173.139 174.900 0.143 0.000 0.764 1155 G CA -0.255 44.933 45.100 0.147 0.000 2.029 1155 G HN 0.384 8.773 8.290 0.163 0.000 0.587 1156 Q N 2.555 122.487 119.800 0.220 0.000 2.267 1156 Q HA 0.064 nan 4.340 nan 0.000 0.255 1156 Q C -0.436 175.640 176.000 0.127 0.000 0.923 1156 Q CA -1.268 54.649 55.803 0.190 0.000 0.925 1156 Q CB 1.400 30.321 28.738 0.305 0.000 1.195 1156 Q HN -0.375 8.063 8.270 0.331 0.031 0.417 1157 I N 6.932 127.550 120.570 0.081 0.000 2.293 1157 I HA 0.054 nan 4.170 nan 0.000 0.299 1157 I C -0.029 176.119 176.117 0.052 0.000 1.153 1157 I CA -0.805 60.523 61.300 0.047 0.000 1.302 1157 I CB -2.611 35.409 38.000 0.033 0.000 1.460 1157 I HN 0.502 8.758 8.210 0.077 0.000 0.552 1158 T N 9.131 123.713 114.554 0.047 0.000 2.816 1158 T HA 0.081 nan 4.350 nan 0.000 0.282 1158 T C 0.560 175.276 174.700 0.026 0.000 0.993 1158 T CA -0.050 62.085 62.100 0.059 0.000 0.994 1158 T CB 1.307 70.209 68.868 0.055 0.000 1.025 1158 T HN -0.070 8.179 8.240 0.015 0.000 0.529 1159 A N 1.949 124.787 122.820 0.029 0.000 1.859 1159 A HA -0.228 nan 4.320 nan 0.000 0.217 1159 A C 1.879 179.463 177.584 -0.000 0.000 1.198 1159 A CA 3.444 55.490 52.037 0.015 0.000 0.629 1159 A CB -1.331 17.680 19.000 0.018 0.000 0.830 1159 A HN 0.638 8.815 8.150 0.046 0.000 0.446 1160 A N -1.335 121.479 122.820 -0.009 0.000 1.896 1160 A HA 0.038 nan 4.320 nan 0.000 0.220 1160 A C 1.114 178.678 177.584 -0.032 0.000 1.206 1160 A CA 3.032 55.053 52.037 -0.026 0.000 0.647 1160 A CB -0.647 18.327 19.000 -0.044 0.000 0.828 1160 A HN 0.546 8.694 8.150 -0.003 0.000 0.455 1161 G N -5.070 103.706 108.800 -0.039 0.000 2.430 1161 G HA2 -0.034 nan 3.960 nan 0.000 0.300 1161 G HA3 -0.034 nan 3.960 nan 0.000 0.300 1161 G C -2.475 172.398 174.900 -0.045 0.000 1.330 1161 G CA -0.562 44.513 45.100 -0.041 0.000 0.813 1161 G HN -0.559 7.706 8.290 -0.041 0.000 0.487 1162 K N -0.945 119.431 120.400 -0.041 0.000 2.298 1162 K HA 0.166 nan 4.320 nan 0.000 0.280 1162 K C -0.848 175.711 176.600 -0.069 0.000 1.032 1162 K CA 0.364 56.631 56.287 -0.034 0.000 0.958 1162 K CB 0.855 33.343 32.500 -0.022 0.000 0.978 1162 K HN -0.109 8.118 8.250 -0.038 0.000 0.472 1163 V N 6.925 126.801 119.914 -0.065 0.000 2.432 1163 V HA 0.196 nan 4.120 nan 0.000 0.275 1163 V C -1.840 174.224 176.094 -0.050 0.000 1.043 1163 V CA -2.610 59.624 62.300 -0.110 0.000 0.925 1163 V CB 0.313 32.064 31.823 -0.121 0.000 0.985 1163 V HN -0.031 8.147 8.190 -0.021 0.000 0.466 1164 P HA 0.294 nan 4.420 nan 0.000 0.271 1164 P C -2.502 174.791 177.300 -0.011 0.000 1.233 1164 P CA -1.232 61.849 63.100 -0.032 0.000 0.764 1164 P CB -0.121 31.550 31.700 -0.048 0.000 0.825 1165 P HA 0.041 nan 4.420 nan 0.000 0.276 1165 P C -1.682 175.680 177.300 0.103 0.000 1.261 1165 P CA -1.248 61.905 63.100 0.088 0.000 0.800 1165 P CB 0.863 32.624 31.700 0.102 0.000 1.066 1166 A N -0.056 122.853 122.820 0.148 0.000 2.404 1166 A HA 0.026 nan 4.320 nan 0.000 0.273 1166 A C -0.935 176.677 177.584 0.048 0.000 1.144 1166 A CA -0.570 51.528 52.037 0.103 0.000 0.806 1166 A CB 0.462 19.376 19.000 -0.144 0.000 1.080 1166 A HN -0.046 8.105 8.150 0.185 0.110 0.509 1167 K N 5.297 125.704 120.400 0.011 0.000 2.263 1167 K HA 0.208 nan 4.320 nan 0.000 0.282 1167 K C -0.990 175.591 176.600 -0.032 0.000 1.089 1167 K CA -0.847 55.445 56.287 0.009 0.000 0.907 1167 K CB 0.237 32.743 32.500 0.010 0.000 1.148 1167 K HN 0.030 8.632 8.250 0.010 -0.346 0.470 1168 V N 7.063 126.985 119.914 0.013 0.000 2.299 1168 V HA 0.147 nan 4.120 nan 0.000 0.255 1168 V C -0.994 175.111 176.094 0.018 0.000 1.100 1168 V CA -0.640 61.670 62.300 0.017 0.000 0.938 1168 V CB -0.889 31.010 31.823 0.126 0.000 1.139 1168 V HN 0.766 8.884 8.190 0.057 0.106 0.490 1169 M N 9.201 128.787 119.600 -0.024 0.000 2.319 1169 M HA 0.294 nan 4.480 nan 0.000 0.343 1169 M C -1.370 174.911 176.300 -0.031 0.000 1.364 1169 M CA -0.296 54.989 55.300 -0.024 0.000 1.292 1169 M CB 0.619 33.183 32.600 -0.060 0.000 1.432 1169 M HN 0.354 8.516 8.290 -0.057 0.094 0.448 1170 V N 8.679 128.605 119.914 0.021 0.000 2.405 1170 V HA 0.164 nan 4.120 nan 0.000 0.264 1170 V C -1.359 174.759 176.094 0.040 0.000 1.048 1170 V CA -0.066 62.253 62.300 0.032 0.000 0.966 1170 V CB -0.640 31.227 31.823 0.074 0.000 1.015 1170 V HN 0.795 9.015 8.190 0.050 0.000 0.477 1171 I N 6.771 127.326 120.570 -0.025 0.000 2.307 1171 I HA 0.313 nan 4.170 nan 0.000 0.289 1171 I C -0.582 175.561 176.117 0.044 0.000 1.021 1171 I CA -0.952 60.339 61.300 -0.015 0.000 1.224 1171 I CB 0.699 38.518 38.000 -0.301 0.000 1.376 1171 I HN 0.761 8.824 8.210 -0.054 0.115 0.470 1172 G N 7.146 116.008 108.800 0.103 0.000 2.871 1172 G HA2 -0.355 nan 3.960 nan 0.000 0.262 1172 G HA3 -0.355 nan 3.960 nan 0.000 0.262 1172 G C -0.871 174.073 174.900 0.072 0.000 1.126 1172 G CA -0.088 45.056 45.100 0.074 0.000 1.130 1172 G HN 0.872 9.153 8.290 0.156 0.103 0.549 1173 A N -0.536 122.338 122.820 0.089 0.000 2.234 1173 A HA -0.236 nan 4.320 nan 0.000 0.216 1173 A C 0.716 178.340 177.584 0.067 0.000 1.167 1173 A CA 1.038 53.132 52.037 0.094 0.000 0.698 1173 A CB -0.057 19.021 19.000 0.130 0.000 0.779 1173 A HN -0.224 7.988 8.150 0.099 -0.003 0.475 1174 G N -2.660 106.173 108.800 0.054 0.000 2.313 1174 G HA2 -0.171 nan 3.960 nan 0.000 0.250 1174 G HA3 -0.171 nan 3.960 nan 0.000 0.250 1174 G C -0.309 174.620 174.900 0.049 0.000 1.281 1174 G CA 0.464 45.591 45.100 0.045 0.000 0.917 1174 G HN -0.572 7.854 8.290 0.054 -0.104 0.501 1175 V N 2.523 122.463 119.914 0.043 0.000 0.657 1175 V HA -0.644 nan 4.120 nan 0.000 0.092 1175 V C 1.597 177.724 176.094 0.055 0.000 1.242 1175 V CA 3.304 65.631 62.300 0.045 0.000 3.205 1175 V CB -1.528 30.322 31.823 0.045 0.000 0.430 1175 V HN 0.446 8.658 8.190 0.037 0.000 0.421 1176 A N 1.052 123.910 122.820 0.063 0.000 1.898 1176 A HA -0.236 nan 4.320 nan 0.000 0.216 1176 A C 1.749 179.375 177.584 0.070 0.000 1.181 1176 A CA 3.439 55.519 52.037 0.073 0.000 0.620 1176 A CB -0.323 18.722 19.000 0.075 0.000 0.819 1176 A HN -0.049 8.108 8.150 0.062 0.030 0.442 1177 G N -1.321 107.518 108.800 0.066 0.000 2.491 1177 G HA2 -0.394 nan 3.960 nan 0.000 0.218 1177 G HA3 -0.394 nan 3.960 nan 0.000 0.218 1177 G C 1.156 176.100 174.900 0.073 0.000 1.180 1177 G CA 2.059 47.201 45.100 0.070 0.000 0.774 1177 G HN -0.275 8.052 8.290 0.063 0.000 0.562 1178 L N 1.979 123.242 121.223 0.065 0.000 2.013 1178 L HA -0.474 nan 4.340 nan 0.000 0.212 1178 L C 2.283 179.189 176.870 0.060 0.000 1.073 1178 L CA 2.679 57.555 54.840 0.059 0.000 0.753 1178 L CB -0.511 41.574 42.059 0.045 0.000 0.890 1178 L HN -0.393 7.873 8.230 0.060 0.000 0.432 1179 A N -1.637 121.221 122.820 0.063 0.000 1.902 1179 A HA -0.386 nan 4.320 nan 0.000 0.217 1179 A C 1.786 179.422 177.584 0.087 0.000 1.181 1179 A CA 3.083 55.163 52.037 0.072 0.000 0.623 1179 A CB -1.052 17.997 19.000 0.082 0.000 0.818 1179 A HN 0.213 8.400 8.150 0.061 0.000 0.443 1180 A N -1.347 121.523 122.820 0.084 0.000 1.930 1180 A HA -0.276 nan 4.320 nan 0.000 0.217 1180 A C 2.046 179.675 177.584 0.075 0.000 1.175 1180 A CA 2.961 55.044 52.037 0.077 0.000 0.627 1180 A CB -0.729 18.315 19.000 0.073 0.000 0.815 1180 A HN -0.001 8.198 8.150 0.080 0.000 0.443 1181 I N -2.068 118.549 120.570 0.079 0.000 2.202 1181 I HA -0.556 nan 4.170 nan 0.000 0.242 1181 I C 1.982 178.142 176.117 0.071 0.000 1.091 1181 I CA 3.909 65.258 61.300 0.082 0.000 1.368 1181 I CB -0.391 37.661 38.000 0.088 0.000 1.058 1181 I HN 0.299 8.478 8.210 0.078 0.077 0.410 1182 G N -1.054 107.783 108.800 0.062 0.000 2.514 1182 G HA2 -0.454 nan 3.960 nan 0.000 0.217 1182 G HA3 -0.454 nan 3.960 nan 0.000 0.217 1182 G C 0.638 175.567 174.900 0.050 0.000 1.198 1182 G CA 2.293 47.424 45.100 0.052 0.000 0.780 1182 G HN 0.080 8.408 8.290 0.064 0.000 0.565 1183 A N 1.524 124.378 122.820 0.057 0.000 1.858 1183 A HA -0.246 nan 4.320 nan 0.000 0.216 1183 A C 1.929 179.503 177.584 -0.018 0.000 1.190 1183 A CA 3.038 55.098 52.037 0.038 0.000 0.617 1183 A CB -0.675 18.361 19.000 0.061 0.000 0.827 1183 A HN 0.050 8.241 8.150 0.069 0.000 0.443 1184 A N -1.864 120.957 122.820 0.001 0.000 1.902 1184 A HA -0.390 nan 4.320 nan 0.000 0.217 1184 A C 1.781 179.416 177.584 0.085 0.000 1.181 1184 A CA 3.136 55.204 52.037 0.051 0.000 0.623 1184 A CB -0.833 18.261 19.000 0.157 0.000 0.818 1184 A HN 0.135 8.301 8.150 0.026 0.000 0.443 1185 N N -1.873 116.872 118.700 0.075 0.000 2.166 1185 N HA -0.263 nan 4.740 nan 0.000 0.186 1185 N C 2.144 177.687 175.510 0.055 0.000 1.019 1185 N CA 2.997 56.090 53.050 0.071 0.000 0.856 1185 N CB 0.117 38.642 38.487 0.064 0.000 0.993 1185 N HN -0.059 8.363 8.380 0.070 0.000 0.426 1186 S N 1.428 117.152 115.700 0.039 0.000 2.359 1186 S HA -0.214 nan 4.470 nan 0.000 0.224 1186 S C 1.434 176.047 174.600 0.023 0.000 1.035 1186 S CA 3.010 61.226 58.200 0.026 0.000 1.018 1186 S CB 0.111 63.322 63.200 0.018 0.000 0.876 1186 S HN -0.132 8.201 8.310 0.037 0.000 0.448 1187 L N -2.475 118.756 121.223 0.014 0.000 2.265 1187 L HA -0.138 nan 4.340 nan 0.000 0.215 1187 L C 0.887 177.809 176.870 0.086 0.000 1.117 1187 L CA 1.137 55.995 54.840 0.030 0.000 0.782 1187 L CB 0.222 42.279 42.059 -0.003 0.000 0.914 1187 L HN -0.330 7.899 8.230 -0.002 0.000 0.441 1188 G N -4.454 104.402 108.800 0.094 0.000 2.212 1188 G HA2 -0.433 nan 3.960 nan 0.000 0.255 1188 G HA3 -0.433 nan 3.960 nan 0.000 0.255 1188 G C -0.952 174.035 174.900 0.145 0.000 1.062 1188 G CA -0.251 44.911 45.100 0.103 0.000 0.815 1188 G HN -0.792 7.344 8.290 0.078 0.202 0.497 1189 A N -1.141 121.798 122.820 0.197 0.000 2.322 1189 A HA 0.446 nan 4.320 nan 0.000 0.269 1189 A C -0.300 177.383 177.584 0.165 0.000 1.094 1189 A CA -1.517 50.664 52.037 0.241 0.000 0.807 1189 A CB 1.288 20.546 19.000 0.431 0.000 1.047 1189 A HN -0.154 8.091 8.150 0.190 0.020 0.487 1190 I N 2.463 123.111 120.570 0.131 0.000 2.372 1190 I HA -0.147 nan 4.170 nan 0.000 0.298 1190 I C -0.912 175.262 176.117 0.095 0.000 1.137 1190 I CA 0.414 61.773 61.300 0.098 0.000 1.314 1190 I CB -0.559 37.486 38.000 0.076 0.000 1.444 1190 I HN 0.171 8.460 8.210 0.131 0.000 0.541 1191 V N 8.638 128.613 119.914 0.103 0.000 2.614 1191 V HA 0.117 nan 4.120 nan 0.000 0.291 1191 V C -0.924 175.227 176.094 0.094 0.000 1.049 1191 V CA -0.160 62.201 62.300 0.102 0.000 1.038 1191 V CB 0.001 31.890 31.823 0.110 0.000 0.980 1191 V HN -0.050 8.202 8.190 0.103 0.000 0.481 1192 R N 5.147 125.698 120.500 0.084 0.000 2.532 1192 R HA 0.831 nan 4.340 nan 0.000 0.297 1192 R C -2.261 174.098 176.300 0.098 0.000 0.984 1192 R CA -1.164 54.986 56.100 0.083 0.000 0.884 1192 R CB 3.838 34.166 30.300 0.047 0.000 1.182 1192 R HN 0.581 8.790 8.270 0.074 0.105 0.442 1193 A N 3.632 126.539 122.820 0.146 0.000 2.469 1193 A HA 0.962 nan 4.320 nan 0.000 0.299 1193 A C -2.802 174.911 177.584 0.214 0.000 1.098 1193 A CA -1.813 50.338 52.037 0.190 0.000 0.737 1193 A CB 4.156 23.294 19.000 0.230 0.000 1.312 1193 A HN 0.546 8.797 8.150 0.168 0.000 0.414 1194 F N -0.007 119.975 119.950 0.053 0.000 2.561 1194 F HA 0.474 nan 4.527 nan 0.000 0.313 1194 F C -2.628 173.295 175.800 0.206 0.000 1.126 1194 F CA -0.785 57.226 58.000 0.018 0.000 0.918 1194 F CB 3.862 42.896 39.000 0.058 0.000 1.199 1194 F HN 0.270 8.741 8.300 0.284 0.000 0.444 1195 D N 4.780 125.070 120.400 -0.183 0.000 2.654 1195 D HA 0.022 nan 4.640 nan 0.000 0.231 1195 D C -0.872 175.283 176.300 -0.242 0.000 1.239 1195 D CA -0.680 53.208 54.000 -0.186 0.000 0.790 1195 D CB 2.991 43.813 40.800 0.036 0.000 1.480 1195 D HN -0.366 7.960 8.370 -0.073 0.000 0.442 1196 T N -1.258 113.191 114.554 -0.175 0.000 2.746 1196 T HA -0.192 nan 4.350 nan 0.000 0.267 1196 T C 0.730 175.427 174.700 -0.005 0.000 1.039 1196 T CA 1.067 63.129 62.100 -0.062 0.000 1.142 1196 T CB 0.198 69.080 68.868 0.023 0.000 0.866 1196 T HN 0.054 8.229 8.240 -0.109 0.000 0.444 1197 R N 2.536 123.031 120.500 -0.008 0.000 2.401 1197 R HA 0.270 nan 4.340 nan 0.000 0.299 1197 R C -0.573 175.701 176.300 -0.042 0.000 1.064 1197 R CA -2.219 53.872 56.100 -0.015 0.000 1.000 1197 R CB -0.564 29.729 30.300 -0.013 0.000 0.973 1197 R HN -0.480 8.093 8.270 -0.010 -0.308 0.438 1198 P HA -0.289 nan 4.420 nan 0.000 0.218 1198 P C 1.051 178.260 177.300 -0.151 0.000 1.150 1198 P CA 2.656 65.697 63.100 -0.099 0.000 0.841 1198 P CB -0.080 31.583 31.700 -0.062 0.000 0.784 1199 E N -3.159 116.979 120.200 -0.102 0.000 2.171 1199 E HA -0.282 nan 4.350 nan 0.000 0.197 1199 E C 2.094 178.619 176.600 -0.125 0.000 0.997 1199 E CA 2.508 58.851 56.400 -0.096 0.000 0.810 1199 E CB -1.146 28.521 29.700 -0.055 0.000 0.738 1199 E HN 0.572 8.854 8.360 -0.072 0.034 0.467 1200 V N -5.125 114.701 119.914 -0.147 0.000 2.667 1200 V HA -0.194 nan 4.120 nan 0.000 0.252 1200 V C 1.440 177.354 176.094 -0.300 0.000 1.065 1200 V CA 2.569 64.787 62.300 -0.137 0.000 1.083 1200 V CB -1.048 30.758 31.823 -0.029 0.000 0.692 1200 V HN -0.266 7.805 8.190 -0.134 0.039 0.468 1201 K N 1.059 121.090 120.400 -0.614 0.000 2.044 1201 K HA -0.455 nan 4.320 nan 0.000 0.210 1201 K C 1.710 178.098 176.600 -0.353 0.000 1.049 1201 K CA 4.058 59.811 56.287 -0.891 0.000 0.927 1201 K CB -0.438 31.526 32.500 -0.894 0.000 0.713 1201 K HN -0.331 7.468 8.250 -0.533 0.131 0.443 1202 E N -1.994 118.075 120.200 -0.219 0.000 2.058 1202 E HA -0.385 nan 4.350 nan 0.000 0.194 1202 E C 2.833 179.392 176.600 -0.068 0.000 0.997 1202 E CA 3.334 59.669 56.400 -0.108 0.000 0.801 1202 E CB -0.722 28.930 29.700 -0.079 0.000 0.746 1202 E HN -0.273 7.947 8.360 -0.234 0.000 0.450 1203 Q N -0.722 119.038 119.800 -0.068 0.000 2.061 1203 Q HA -0.351 nan 4.340 nan 0.000 0.204 1203 Q C 2.672 178.679 176.000 0.013 0.000 0.984 1203 Q CA 3.021 58.812 55.803 -0.020 0.000 0.846 1203 Q CB -0.058 28.672 28.738 -0.013 0.000 0.902 1203 Q HN -0.598 7.532 8.270 -0.100 0.080 0.421 1204 V N 0.085 120.015 119.914 0.028 0.000 2.295 1204 V HA -0.446 nan 4.120 nan 0.000 0.246 1204 V C 2.201 178.353 176.094 0.097 0.000 1.049 1204 V CA 4.035 66.403 62.300 0.113 0.000 1.024 1204 V CB -1.030 30.949 31.823 0.259 0.000 0.648 1204 V HN 0.194 8.366 8.190 -0.031 0.000 0.447 1205 Q N -1.521 118.317 119.800 0.064 0.000 2.152 1205 Q HA -0.427 nan 4.340 nan 0.000 0.206 1205 Q C 3.062 179.087 176.000 0.042 0.000 0.985 1205 Q CA 3.103 58.940 55.803 0.056 0.000 0.863 1205 Q CB -0.307 28.447 28.738 0.027 0.000 0.904 1205 Q HN -0.030 8.256 8.270 0.025 0.000 0.422 1206 S N 0.095 115.812 115.700 0.027 0.000 2.382 1206 S HA -0.213 nan 4.470 nan 0.000 0.228 1206 S C 1.110 175.732 174.600 0.036 0.000 1.027 1206 S CA 2.852 61.067 58.200 0.025 0.000 0.991 1206 S CB -0.038 63.171 63.200 0.015 0.000 0.823 1206 S HN -0.129 8.105 8.310 0.016 0.086 0.469 1207 M N -0.582 119.047 119.600 0.048 0.000 2.652 1207 M HA 0.119 nan 4.480 nan 0.000 0.226 1207 M C -0.527 175.810 176.300 0.062 0.000 1.244 1207 M CA -0.406 54.926 55.300 0.054 0.000 0.986 1207 M CB -0.014 32.622 32.600 0.060 0.000 1.666 1207 M HN -0.807 7.383 8.290 0.053 0.132 0.460 1208 G N -2.461 106.374 108.800 0.058 0.000 2.283 1208 G HA2 -0.311 nan 3.960 nan 0.000 0.280 1208 G HA3 -0.311 nan 3.960 nan 0.000 0.280 1208 G C -1.109 173.836 174.900 0.075 0.000 1.029 1208 G CA 0.237 45.374 45.100 0.061 0.000 0.840 1208 G HN -0.474 7.751 8.290 0.052 0.096 0.505 1209 A N -1.262 121.612 122.820 0.089 0.000 2.350 1209 A HA 0.276 nan 4.320 nan 0.000 0.324 1209 A C -1.345 176.317 177.584 0.131 0.000 1.118 1209 A CA -1.242 50.860 52.037 0.107 0.000 0.783 1209 A CB 2.304 21.374 19.000 0.117 0.000 1.236 1209 A HN -0.698 7.495 8.150 0.089 0.010 0.457 1210 E N 2.000 122.275 120.200 0.124 0.000 2.259 1210 E HA 0.028 nan 4.350 nan 0.000 0.281 1210 E C -1.131 175.584 176.600 0.191 0.000 1.037 1210 E CA -0.571 55.911 56.400 0.136 0.000 0.854 1210 E CB 1.336 31.090 29.700 0.090 0.000 1.051 1210 E HN 0.015 8.441 8.360 0.109 0.000 0.409 1211 F N 4.581 124.589 119.950 0.096 0.000 2.404 1211 F HA 0.293 nan 4.527 nan 0.000 0.345 1211 F C -1.001 174.894 175.800 0.157 0.000 1.110 1211 F CA -1.263 56.816 58.000 0.131 0.000 1.130 1211 F CB 1.118 40.185 39.000 0.113 0.000 1.129 1211 F HN 0.083 8.564 8.300 0.302 0.000 0.500 1212 L N 8.294 129.212 121.223 -0.509 0.000 2.313 1212 L HA -0.026 nan 4.340 nan 0.000 0.282 1212 L C -0.494 176.083 176.870 -0.489 0.000 1.092 1212 L CA -0.416 54.223 54.840 -0.335 0.000 0.831 1212 L CB 0.112 42.045 42.059 -0.210 0.000 1.159 1212 L HN 0.347 8.179 8.230 -0.663 0.000 0.442 1213 E N 3.083 123.210 120.200 -0.123 0.000 2.398 1213 E HA -0.144 nan 4.350 nan 0.000 0.263 1213 E C -0.785 175.996 176.600 0.301 0.000 1.046 1213 E CA -0.464 56.006 56.400 0.116 0.000 0.908 1213 E CB 0.754 30.545 29.700 0.152 0.000 0.963 1213 E HN 0.126 8.448 8.360 -0.063 0.000 0.431 1214 L N 2.053 123.519 121.223 0.405 0.000 2.456 1214 L HA -0.070 nan 4.340 nan 0.000 0.272 1214 L C 0.180 177.151 176.870 0.168 0.000 1.189 1214 L CA 0.451 55.537 54.840 0.409 0.000 0.846 1214 L CB 0.523 42.629 42.059 0.078 0.000 1.111 1214 L HN 0.052 8.512 8.230 0.384 0.000 0.475 1231 S N 1.791 117.607 115.700 0.193 0.000 3.880 1231 S HA -0.231 nan 4.470 nan 0.000 0.639 1231 S C -0.559 174.115 174.600 0.123 0.000 1.856 1231 S CA -0.261 58.013 58.200 0.124 0.000 2.023 1231 S CB -0.021 63.234 63.200 0.092 0.000 0.328 1231 S HN 0.046 8.462 8.310 0.178 0.000 1.793 1232 D N 0.035 120.484 120.400 0.081 0.000 2.515 1232 D HA -0.327 nan 4.640 nan 0.000 0.230 1232 D C 0.979 177.333 176.300 0.091 0.000 1.181 1232 D CA 1.447 55.487 54.000 0.067 0.000 0.875 1232 D CB 0.110 40.937 40.800 0.045 0.000 1.213 1232 D HN -0.094 8.316 8.370 0.067 0.000 0.478 1233 A N 3.568 126.429 122.820 0.068 0.000 1.468 1233 A HA -0.462 nan 4.320 nan 0.000 0.224 1233 A C 1.219 178.878 177.584 0.124 0.000 0.358 1233 A CA 2.332 54.415 52.037 0.077 0.000 1.097 1233 A CB -2.024 17.022 19.000 0.077 0.000 1.465 1233 A HN 0.572 8.748 8.150 0.044 0.000 0.719 1234 F N 0.896 120.847 119.950 0.002 0.000 2.126 1234 F HA -0.330 nan 4.527 nan 0.000 0.299 1234 F C 1.172 176.966 175.800 -0.010 0.000 1.096 1234 F CA 1.431 59.433 58.000 0.004 0.000 1.255 1234 F CB 0.142 39.161 39.000 0.032 0.000 0.997 1234 F HN -0.560 7.814 8.300 0.261 0.083 0.479 1235 I N -4.126 116.364 120.570 -0.133 0.000 2.229 1235 I HA -0.680 nan 4.170 nan 0.000 0.250 1235 I C 1.560 177.546 176.117 -0.219 0.000 1.096 1235 I CA 3.921 65.100 61.300 -0.201 0.000 1.358 1235 I CB -0.722 37.240 38.000 -0.064 0.000 1.047 1235 I HN 0.179 8.402 8.210 0.023 0.000 0.422 1236 K N -1.217 119.102 120.400 -0.135 0.000 2.116 1236 K HA -0.197 nan 4.320 nan 0.000 0.203 1236 K C 2.277 178.769 176.600 -0.179 0.000 1.052 1236 K CA 2.291 58.505 56.287 -0.123 0.000 0.952 1236 K CB -0.952 31.514 32.500 -0.057 0.000 0.729 1236 K HN -0.381 7.782 8.250 -0.080 0.039 0.446 1237 A N 0.012 122.737 122.820 -0.159 0.000 2.015 1237 A HA -0.194 nan 4.320 nan 0.000 0.219 1237 A C 2.285 179.622 177.584 -0.412 0.000 1.163 1237 A CA 2.829 54.771 52.037 -0.158 0.000 0.646 1237 A CB -1.133 17.920 19.000 0.088 0.000 0.806 1237 A HN -0.447 7.569 8.150 -0.088 0.081 0.448 1238 E N -0.735 119.047 120.200 -0.698 0.000 2.047 1238 E HA -0.383 nan 4.350 nan 0.000 0.191 1238 E C 2.517 178.306 176.600 -1.352 0.000 0.987 1238 E CA 2.993 58.692 56.400 -1.168 0.000 0.799 1238 E CB -0.198 28.922 29.700 -0.966 0.000 0.752 1238 E HN 0.038 7.983 8.360 -0.667 0.014 0.449 1239 M N -1.165 118.037 119.600 -0.663 0.000 2.089 1239 M HA -0.407 nan 4.480 nan 0.000 0.257 1239 M C 2.496 178.633 176.300 -0.272 0.000 1.071 1239 M CA 3.157 58.266 55.300 -0.319 0.000 1.096 1239 M CB -0.917 31.593 32.600 -0.149 0.000 1.330 1239 M HN -0.415 7.577 8.290 -0.497 0.000 0.403 1240 E N -1.110 118.929 120.200 -0.268 0.000 2.106 1240 E HA -0.319 nan 4.350 nan 0.000 0.192 1240 E C 2.607 179.087 176.600 -0.199 0.000 0.984 1240 E CA 2.586 58.880 56.400 -0.176 0.000 0.806 1240 E CB -0.254 29.366 29.700 -0.134 0.000 0.750 1240 E HN -0.381 7.728 8.360 -0.287 0.079 0.458 1241 L N 0.505 121.519 121.223 -0.348 0.000 2.017 1241 L HA -0.323 nan 4.340 nan 0.000 0.208 1241 L C 1.556 178.340 176.870 -0.143 0.000 1.073 1241 L CA 3.290 57.939 54.840 -0.317 0.000 0.745 1241 L CB -0.276 41.445 42.059 -0.563 0.000 0.894 1241 L HN -0.174 7.679 8.230 -0.488 0.084 0.432 1242 F N -2.114 117.711 119.950 -0.209 0.000 2.234 1242 F HA -0.325 nan 4.527 nan 0.000 0.299 1242 F C 2.270 178.009 175.800 -0.101 0.000 1.087 1242 F CA 1.357 59.262 58.000 -0.158 0.000 1.340 1242 F CB -1.912 37.005 39.000 -0.139 0.000 1.031 1242 F HN 0.147 8.111 8.300 -0.561 0.000 0.500 1243 A N -0.226 122.637 122.820 0.070 0.000 1.855 1243 A HA -0.330 nan 4.320 nan 0.000 0.215 1243 A C 1.664 179.253 177.584 0.008 0.000 1.191 1243 A CA 3.123 55.178 52.037 0.029 0.000 0.613 1243 A CB -1.098 17.902 19.000 0.001 0.000 0.829 1243 A HN 0.267 8.430 8.150 0.020 0.000 0.442 1244 A N -3.271 119.541 122.820 -0.014 0.000 2.015 1244 A HA -0.220 nan 4.320 nan 0.000 0.219 1244 A C 2.547 180.124 177.584 -0.012 0.000 1.163 1244 A CA 2.609 54.635 52.037 -0.019 0.000 0.646 1244 A CB -0.684 18.295 19.000 -0.035 0.000 0.806 1244 A HN -0.410 7.721 8.150 -0.031 0.000 0.448 1245 Q N -2.411 117.386 119.800 -0.005 0.000 2.137 1245 Q HA -0.191 nan 4.340 nan 0.000 0.198 1245 Q C 2.325 178.325 176.000 0.000 0.000 0.960 1245 Q CA 1.918 57.720 55.803 -0.001 0.000 0.847 1245 Q CB -0.116 28.627 28.738 0.007 0.000 0.915 1245 Q HN 0.215 8.471 8.270 -0.003 0.012 0.448 1246 A N -0.046 122.779 122.820 0.008 0.000 2.070 1246 A HA -0.299 nan 4.320 nan 0.000 0.220 1246 A C 1.779 179.359 177.584 -0.007 0.000 1.159 1246 A CA 2.688 54.723 52.037 -0.003 0.000 0.656 1246 A CB -0.810 18.196 19.000 0.009 0.000 0.800 1246 A HN 0.038 8.009 8.150 0.025 0.195 0.453 1247 K N -2.979 117.419 120.400 -0.003 0.000 2.057 1247 K HA -0.280 nan 4.320 nan 0.000 0.207 1247 K C 1.710 178.306 176.600 -0.006 0.000 1.049 1247 K CA 2.612 58.897 56.287 -0.004 0.000 0.931 1247 K CB -0.133 32.365 32.500 -0.004 0.000 0.714 1247 K HN -0.564 7.665 8.250 -0.000 0.021 0.440 1248 E N -2.508 117.688 120.200 -0.006 0.000 2.216 1248 E HA -0.017 nan 4.350 nan 0.000 0.192 1248 E C -0.151 176.445 176.600 -0.007 0.000 0.973 1248 E CA 0.771 57.168 56.400 -0.004 0.000 0.851 1248 E CB 1.913 31.612 29.700 -0.001 0.000 0.804 1248 E HN -0.473 7.763 8.360 -0.006 0.121 0.477 1249 V N -5.758 114.146 119.914 -0.016 0.000 3.214 1249 V HA 0.044 nan 4.120 nan 0.000 0.306 1249 V C -0.627 175.438 176.094 -0.048 0.000 1.078 1249 V CA -1.427 60.854 62.300 -0.031 0.000 1.077 1249 V CB 0.485 32.283 31.823 -0.042 0.000 1.121 1249 V HN -0.344 7.836 8.190 -0.017 0.000 0.468 1250 D N 0.555 120.903 120.400 -0.086 0.000 3.105 1250 D HA 0.313 nan 4.640 nan 0.000 0.291 1250 D C 0.132 176.253 176.300 -0.298 0.000 1.218 1250 D CA 2.055 55.966 54.000 -0.148 0.000 1.029 1250 D CB 2.319 43.035 40.800 -0.139 0.000 1.207 1250 D HN 0.222 8.421 8.370 -0.085 0.120 0.437 1251 I N 0.256 120.614 120.570 -0.355 0.000 2.330 1251 I HA 0.264 nan 4.170 nan 0.000 0.286 1251 I C -1.329 174.680 176.117 -0.180 0.000 1.025 1251 I CA -1.930 59.154 61.300 -0.360 0.000 1.197 1251 I CB -0.331 37.382 38.000 -0.479 0.000 1.358 1251 I HN -0.312 7.624 8.210 -0.280 0.106 0.467 1252 I N 8.700 129.179 120.570 -0.152 0.000 2.312 1252 I HA 0.107 nan 4.170 nan 0.000 0.291 1252 I C -1.346 174.714 176.117 -0.096 0.000 1.031 1252 I CA -0.226 61.001 61.300 -0.122 0.000 1.293 1252 I CB 0.545 38.465 38.000 -0.132 0.000 1.403 1252 I HN 0.609 8.719 8.210 -0.167 0.000 0.484 1253 V N 9.696 129.569 119.914 -0.068 0.000 2.247 1253 V HA 0.202 nan 4.120 nan 0.000 0.262 1253 V C -0.945 175.123 176.094 -0.043 0.000 1.096 1253 V CA -1.119 61.163 62.300 -0.031 0.000 0.895 1253 V CB -1.099 30.731 31.823 0.010 0.000 1.141 1253 V HN 0.753 8.780 8.190 -0.070 0.120 0.478 1254 T N 9.968 124.488 114.554 -0.056 0.000 2.794 1254 T HA 0.315 nan 4.350 nan 0.000 0.304 1254 T C 0.247 174.936 174.700 -0.018 0.000 0.973 1254 T CA 0.272 62.331 62.100 -0.068 0.000 0.972 1254 T CB 0.623 69.425 68.868 -0.109 0.000 0.952 1254 T HN 0.403 8.613 8.240 -0.050 0.000 0.509 1255 T N 10.261 124.813 114.554 -0.004 0.000 3.040 1255 T HA 0.177 nan 4.350 nan 0.000 0.252 1255 T C 0.339 175.059 174.700 0.034 0.000 1.064 1255 T CA 0.719 62.835 62.100 0.027 0.000 1.110 1255 T CB 0.305 69.198 68.868 0.041 0.000 0.921 1255 T HN 0.815 9.047 8.240 -0.015 0.000 0.480 1256 A N 4.393 127.232 122.820 0.031 0.000 2.509 1256 A HA -0.167 nan 4.320 nan 0.000 0.282 1256 A C -1.631 175.986 177.584 0.055 0.000 1.159 1256 A CA 1.426 53.496 52.037 0.055 0.000 0.863 1256 A CB 0.057 19.105 19.000 0.080 0.000 1.029 1256 A HN -0.450 7.706 8.150 0.011 0.000 0.542 1257 L N 0.391 121.649 121.223 0.058 0.000 2.388 1257 L HA 0.537 nan 4.340 nan 0.000 0.264 1257 L C -1.206 175.701 176.870 0.062 0.000 0.998 1257 L CA -2.248 52.627 54.840 0.059 0.000 0.817 1257 L CB 3.033 45.130 42.059 0.062 0.000 1.338 1257 L HN -0.482 7.783 8.230 0.059 0.000 0.414 1258 I N 3.956 124.564 120.570 0.063 0.000 2.389 1258 I HA 0.465 nan 4.170 nan 0.000 0.288 1258 I C -2.047 174.112 176.117 0.071 0.000 0.999 1258 I CA -3.832 57.505 61.300 0.063 0.000 1.129 1258 I CB 2.523 40.559 38.000 0.059 0.000 1.288 1258 I HN 0.479 8.726 8.210 0.062 0.000 0.444 1259 P HA -0.129 nan 4.420 nan 0.000 0.263 1259 P C 0.282 177.641 177.300 0.098 0.000 1.195 1259 P CA 1.002 64.156 63.100 0.089 0.000 0.762 1259 P CB -0.440 31.302 31.700 0.070 0.000 0.799 1260 G N 3.478 112.357 108.800 0.132 0.000 2.179 1260 G HA2 -0.416 nan 3.960 nan 0.000 0.260 1260 G HA3 -0.416 nan 3.960 nan 0.000 0.260 1260 G C -0.847 174.114 174.900 0.101 0.000 0.977 1260 G CA 0.027 45.209 45.100 0.137 0.000 0.641 1260 G HN 0.371 8.758 8.290 0.162 0.000 0.533 1261 K N 0.588 121.037 120.400 0.082 0.000 2.318 1261 K HA 0.473 nan 4.320 nan 0.000 0.249 1261 K C -2.415 174.213 176.600 0.047 0.000 0.942 1261 K CA -3.425 52.897 56.287 0.059 0.000 0.808 1261 K CB 1.645 34.177 32.500 0.053 0.000 1.189 1261 K HN -0.192 8.057 8.250 0.088 0.054 0.428 1262 P HA -0.090 nan 4.420 nan 0.000 0.265 1262 P C -0.794 176.520 177.300 0.023 0.000 1.193 1262 P CA -0.245 62.863 63.100 0.015 0.000 0.765 1262 P CB 0.097 31.800 31.700 0.005 0.000 0.823 1263 A N 6.137 128.969 122.820 0.020 0.000 2.515 1263 A HA 0.079 nan 4.320 nan 0.000 0.263 1263 A C -1.234 176.367 177.584 0.028 0.000 1.096 1263 A CA -1.668 50.386 52.037 0.028 0.000 0.769 1263 A CB -0.640 18.373 19.000 0.023 0.000 1.040 1263 A HN 0.281 8.326 8.150 0.011 0.111 0.505 1264 P HA -0.080 nan 4.420 nan 0.000 0.267 1264 P C -0.808 176.516 177.300 0.040 0.000 1.200 1264 P CA -0.371 62.753 63.100 0.039 0.000 0.772 1264 P CB 0.621 32.352 31.700 0.053 0.000 0.855 1265 K N 3.177 123.595 120.400 0.031 0.000 2.502 1265 K HA 0.073 nan 4.320 nan 0.000 0.244 1265 K C -0.653 175.975 176.600 0.047 0.000 1.249 1265 K CA -0.537 55.766 56.287 0.026 0.000 1.193 1265 K CB -1.958 30.546 32.500 0.006 0.000 1.674 1265 K HN 0.321 8.586 8.250 0.025 0.000 0.302 1266 L N -0.979 120.293 121.223 0.082 0.000 2.209 1266 L HA -0.081 nan 4.340 nan 0.000 0.207 1266 L C 0.364 177.334 176.870 0.166 0.000 1.094 1266 L CA 1.259 56.199 54.840 0.167 0.000 0.790 1266 L CB 0.783 43.026 42.059 0.306 0.000 0.932 1266 L HN -0.108 8.125 8.230 0.069 0.039 0.447 1267 I N -0.463 120.151 120.570 0.074 0.000 2.287 1267 I HA 0.081 nan 4.170 nan 0.000 0.290 1267 I C -0.668 175.481 176.117 0.053 0.000 1.069 1267 I CA -1.862 59.471 61.300 0.055 0.000 1.237 1267 I CB -1.832 36.171 38.000 0.004 0.000 1.418 1267 I HN -0.760 7.479 8.210 0.047 0.000 0.481 1268 T N 4.637 119.221 114.554 0.052 0.000 2.899 1268 T HA 0.262 nan 4.350 nan 0.000 0.295 1268 T C 1.594 176.310 174.700 0.027 0.000 1.033 1268 T CA -0.807 61.304 62.100 0.018 0.000 1.084 1268 T CB 0.838 69.710 68.868 0.006 0.000 0.979 1268 T HN -0.129 8.150 8.240 0.065 0.000 0.532 1269 R N 3.089 123.556 120.500 -0.055 0.000 2.091 1269 R HA -0.427 nan 4.340 nan 0.000 0.238 1269 R C 2.140 178.468 176.300 0.047 0.000 1.136 1269 R CA 4.652 60.682 56.100 -0.116 0.000 0.959 1269 R CB -0.347 29.623 30.300 -0.549 0.000 0.856 1269 R HN 0.313 8.828 8.270 -0.104 -0.308 0.437 1270 E N -1.529 118.671 120.200 0.000 0.000 2.097 1270 E HA -0.353 nan 4.350 nan 0.000 0.196 1270 E C 1.841 178.471 176.600 0.051 0.000 1.000 1270 E CA 2.929 59.345 56.400 0.027 0.000 0.804 1270 E CB -1.200 28.500 29.700 0.002 0.000 0.740 1270 E HN -0.011 8.320 8.360 -0.048 0.000 0.454 1271 M N -0.718 118.912 119.600 0.051 0.000 2.086 1271 M HA -0.271 nan 4.480 nan 0.000 0.261 1271 M C 2.693 179.031 176.300 0.064 0.000 1.067 1271 M CA 3.800 59.132 55.300 0.053 0.000 1.116 1271 M CB 0.021 32.656 32.600 0.059 0.000 1.348 1271 M HN -0.482 7.729 8.290 0.043 0.104 0.407 1272 V N -0.216 119.761 119.914 0.106 0.000 2.255 1272 V HA -0.507 nan 4.120 nan 0.000 0.247 1272 V C 2.229 178.376 176.094 0.089 0.000 1.051 1272 V CA 4.250 66.616 62.300 0.110 0.000 1.018 1272 V CB -1.110 30.846 31.823 0.223 0.000 0.641 1272 V HN -0.052 8.216 8.190 0.130 0.000 0.445 1273 D N -3.197 117.288 120.400 0.140 0.000 2.378 1273 D HA -0.088 nan 4.640 nan 0.000 0.227 1273 D C 0.540 176.871 176.300 0.052 0.000 1.012 1273 D CA 2.057 56.118 54.000 0.101 0.000 0.905 1273 D CB -0.405 40.480 40.800 0.142 0.000 0.895 1273 D HN 0.141 8.628 8.370 0.194 0.000 0.532 1274 S N -1.352 114.373 115.700 0.041 0.000 2.517 1274 S HA 0.090 nan 4.470 nan 0.000 0.214 1274 S C -0.460 174.147 174.600 0.010 0.000 0.991 1274 S CA 0.831 59.044 58.200 0.022 0.000 0.906 1274 S CB 1.349 64.561 63.200 0.020 0.000 0.789 1274 S HN -0.575 7.584 8.310 0.051 0.182 0.513 1275 M N 1.529 121.134 119.600 0.008 0.000 2.131 1275 M HA -0.193 nan 4.480 nan 0.000 0.283 1275 M C -0.227 176.068 176.300 -0.009 0.000 1.225 1275 M CA 1.534 56.831 55.300 -0.005 0.000 1.153 1275 M CB 0.559 33.150 32.600 -0.016 0.000 1.380 1275 M HN -0.644 7.545 8.290 0.016 0.110 0.458 1276 K N -0.539 119.854 120.400 -0.012 0.000 2.355 1276 K HA -0.076 nan 4.320 nan 0.000 0.270 1276 K C -0.122 176.470 176.600 -0.014 0.000 1.003 1276 K CA 0.172 56.453 56.287 -0.011 0.000 0.957 1276 K CB 0.491 32.989 32.500 -0.004 0.000 0.939 1276 K HN 0.157 8.400 8.250 -0.012 0.000 0.482 1277 A N 0.937 123.747 122.820 -0.017 0.000 2.313 1277 A HA 0.334 nan 4.320 nan 0.000 0.261 1277 A C 0.473 178.053 177.584 -0.006 0.000 1.090 1277 A CA -0.011 52.012 52.037 -0.023 0.000 0.807 1277 A CB 0.610 19.590 19.000 -0.033 0.000 1.055 1277 A HN 0.307 8.446 8.150 -0.018 0.000 0.492 1278 G N -2.012 106.784 108.800 -0.006 0.000 2.149 1278 G HA2 -0.455 nan 3.960 nan 0.000 0.235 1278 G HA3 -0.455 nan 3.960 nan 0.000 0.235 1278 G C -1.001 173.992 174.900 0.156 0.000 1.018 1278 G CA 0.256 45.374 45.100 0.030 0.000 0.728 1278 G HN 0.413 8.592 8.290 -0.028 0.094 0.508 1279 S N -0.946 114.798 115.700 0.073 0.000 2.671 1279 S HA 0.872 nan 4.470 nan 0.000 0.299 1279 S C -2.121 172.412 174.600 -0.111 0.000 1.116 1279 S CA -1.207 57.002 58.200 0.015 0.000 0.912 1279 S CB 3.732 66.917 63.200 -0.025 0.000 1.130 1279 S HN -0.662 7.651 8.310 0.005 0.000 0.501 1280 V N 0.050 119.814 119.914 -0.250 0.000 2.760 1280 V HA 0.676 nan 4.120 nan 0.000 0.309 1280 V C -1.507 174.476 176.094 -0.185 0.000 1.077 1280 V CA -0.757 61.421 62.300 -0.204 0.000 0.910 1280 V CB 3.279 34.974 31.823 -0.213 0.000 1.008 1280 V HN 0.219 8.188 8.190 -0.369 0.000 0.424 1281 I N 5.970 126.461 120.570 -0.131 0.000 2.354 1281 I HA 0.508 nan 4.170 nan 0.000 0.286 1281 I C -1.324 174.745 176.117 -0.081 0.000 1.007 1281 I CA -0.828 60.411 61.300 -0.102 0.000 1.167 1281 I CB 1.681 39.636 38.000 -0.075 0.000 1.320 1281 I HN 0.552 8.687 8.210 -0.125 0.000 0.458 1282 V N 7.949 127.824 119.914 -0.065 0.000 2.383 1282 V HA 0.260 nan 4.120 nan 0.000 0.275 1282 V C -1.599 174.484 176.094 -0.017 0.000 1.036 1282 V CA -1.665 60.616 62.300 -0.032 0.000 0.889 1282 V CB 0.191 32.014 31.823 0.000 0.000 0.985 1282 V HN 0.991 9.138 8.190 -0.070 0.000 0.459 1283 D N 7.412 127.808 120.400 -0.007 0.000 2.380 1283 D HA 0.263 nan 4.640 nan 0.000 0.230 1283 D C -0.387 175.933 176.300 0.032 0.000 1.154 1283 D CA -0.654 53.349 54.000 0.006 0.000 0.859 1283 D CB 0.940 41.744 40.800 0.006 0.000 1.045 1283 D HN 0.118 8.480 8.370 -0.014 0.000 0.495 1284 L N 4.222 125.466 121.223 0.034 0.000 2.162 1284 L HA -0.004 nan 4.340 nan 0.000 0.205 1284 L C 1.447 178.346 176.870 0.049 0.000 1.086 1284 L CA 1.767 56.639 54.840 0.054 0.000 0.778 1284 L CB 0.292 42.385 42.059 0.055 0.000 0.928 1284 L HN 0.417 8.659 8.230 0.020 0.000 0.446 1285 A N -2.485 120.356 122.820 0.035 0.000 2.259 1285 A HA -0.011 nan 4.320 nan 0.000 0.208 1285 A C 1.165 178.757 177.584 0.014 0.000 1.201 1285 A CA 0.772 52.827 52.037 0.030 0.000 0.824 1285 A CB -1.526 17.491 19.000 0.028 0.000 0.838 1285 A HN -0.436 7.838 8.150 0.026 -0.109 0.485 1286 A N 0.133 122.963 122.820 0.017 0.000 1.915 1286 A HA -0.368 nan 4.320 nan 0.000 0.220 1286 A C 2.078 179.652 177.584 -0.018 0.000 1.198 1286 A CA 3.225 55.267 52.037 0.008 0.000 0.647 1286 A CB -0.874 18.144 19.000 0.029 0.000 0.825 1286 A HN -0.133 7.889 8.150 0.027 0.145 0.456 1287 Q N -1.792 117.990 119.800 -0.031 0.000 2.187 1287 Q HA -0.184 nan 4.340 nan 0.000 0.199 1287 Q C 0.531 176.441 176.000 -0.151 0.000 0.957 1287 Q CA 1.956 57.703 55.803 -0.095 0.000 0.857 1287 Q CB -0.242 28.433 28.738 -0.106 0.000 0.929 1287 Q HN 0.235 8.500 8.270 -0.008 0.000 0.453 1288 N N 0.215 118.856 118.700 -0.099 0.000 2.671 1288 N HA 0.104 nan 4.740 nan 0.000 0.303 1288 N C -1.223 174.261 175.510 -0.042 0.000 1.351 1288 N CA -0.772 52.220 53.050 -0.097 0.000 0.991 1288 N CB 0.568 39.042 38.487 -0.022 0.000 1.307 1288 N HN -0.737 7.614 8.380 -0.049 0.000 0.512 1289 G N -1.653 107.119 108.800 -0.047 0.000 2.545 1289 G HA2 -0.254 nan 3.960 nan 0.000 0.195 1289 G HA3 -0.254 nan 3.960 nan 0.000 0.195 1289 G C -1.296 173.595 174.900 -0.016 0.000 1.009 1289 G CA -0.254 44.830 45.100 -0.026 0.000 0.703 1289 G HN -0.597 7.584 8.290 -0.063 0.071 0.479 1290 G N 0.915 109.709 108.800 -0.010 0.000 3.316 1290 G HA2 -0.479 nan 3.960 nan 0.000 0.445 1290 G HA3 -0.479 nan 3.960 nan 0.000 0.445 1290 G C -0.947 173.956 174.900 0.005 0.000 1.002 1290 G CA -0.235 44.864 45.100 -0.002 0.000 0.818 1290 G HN -0.142 8.142 8.290 -0.010 0.000 0.404 1291 N N 3.619 122.324 118.700 0.008 0.000 2.216 1291 N HA -0.172 nan 4.740 nan 0.000 0.183 1291 N C -0.102 175.414 175.510 0.010 0.000 1.017 1291 N CA 2.861 55.917 53.050 0.010 0.000 0.861 1291 N CB 1.109 39.596 38.487 0.001 0.000 0.986 1291 N HN -0.210 8.566 8.380 0.007 -0.391 0.428 1292 C N -1.167 118.138 119.300 0.009 0.000 2.534 1292 C HA 0.104 nan 4.460 nan 0.000 0.385 1292 C C 0.720 175.730 174.990 0.033 0.000 1.264 1292 C CA -0.506 58.529 59.018 0.028 0.000 2.342 1292 C CB 0.861 28.624 27.740 0.038 0.000 2.564 1292 C HN -0.214 8.375 8.230 0.008 -0.354 0.603 1293 E N 4.585 124.803 120.200 0.031 0.000 2.051 1293 E HA -0.295 nan 4.350 nan 0.000 0.189 1293 E C 1.556 178.169 176.600 0.023 0.000 0.979 1293 E CA 2.149 58.545 56.400 -0.007 0.000 0.803 1293 E CB 0.208 29.868 29.700 -0.067 0.000 0.761 1293 E HN 0.451 8.836 8.360 0.041 0.000 0.451 1294 Y N -2.742 117.545 120.300 -0.021 0.000 2.465 1294 Y HA -0.179 nan 4.550 nan 0.000 0.289 1294 Y C -0.347 175.537 175.900 -0.027 0.000 1.150 1294 Y CA 0.932 59.019 58.100 -0.021 0.000 1.293 1294 Y CB -0.167 38.311 38.460 0.031 0.000 0.977 1294 Y HN -0.679 7.699 8.280 0.164 0.000 0.556 1295 T N 1.248 115.888 114.554 0.144 0.000 2.542 1295 T HA -0.246 nan 4.350 nan 0.000 0.246 1295 T C -0.350 174.370 174.700 0.034 0.000 1.052 1295 T CA 1.304 63.441 62.100 0.062 0.000 1.251 1295 T CB -0.632 68.256 68.868 0.033 0.000 1.031 1295 T HN -0.739 7.558 8.240 0.131 0.022 0.498 1296 V N 8.956 128.887 119.914 0.028 0.000 2.372 1296 V HA 0.244 nan 4.120 nan 0.000 0.261 1296 V C -1.269 174.835 176.094 0.016 0.000 1.055 1296 V CA -3.278 59.025 62.300 0.005 0.000 0.930 1296 V CB 0.009 31.839 31.823 0.012 0.000 1.031 1296 V HN 0.313 8.527 8.190 0.040 0.000 0.479 1297 P HA -0.082 nan 4.420 nan 0.000 0.260 1297 P C -0.382 176.958 177.300 0.067 0.000 1.207 1297 P CA 1.005 64.125 63.100 0.033 0.000 0.780 1297 P CB -0.631 31.073 31.700 0.007 0.000 0.789 1298 G N 6.191 115.071 108.800 0.133 0.000 2.144 1298 G HA2 -0.425 nan 3.960 nan 0.000 0.218 1298 G HA3 -0.425 nan 3.960 nan 0.000 0.218 1298 G C -1.130 173.954 174.900 0.307 0.000 0.988 1298 G CA -0.080 45.151 45.100 0.219 0.000 0.659 1298 G HN 0.765 9.035 8.290 0.134 0.100 0.522 1299 E N -2.213 118.088 120.200 0.168 0.000 2.442 1299 E HA 0.378 nan 4.350 nan 0.000 0.271 1299 E C -2.211 174.264 176.600 -0.209 0.000 1.002 1299 E CA -1.828 54.619 56.400 0.078 0.000 0.864 1299 E CB 4.318 34.078 29.700 0.101 0.000 1.573 1299 E HN -0.385 7.986 8.360 0.090 0.043 0.456 1300 I N -1.658 118.819 120.570 -0.156 0.000 2.863 1300 I HA 0.616 nan 4.170 nan 0.000 0.311 1300 I C -1.265 174.877 176.117 0.042 0.000 1.026 1300 I CA -1.232 59.971 61.300 -0.162 0.000 1.077 1300 I CB 2.447 40.338 38.000 -0.182 0.000 1.262 1300 I HN 0.003 8.198 8.210 -0.025 0.000 0.461 1301 F N 4.349 124.206 119.950 -0.156 0.000 2.604 1301 F HA 0.290 nan 4.527 nan 0.000 0.316 1301 F C -2.484 173.194 175.800 -0.203 0.000 1.136 1301 F CA -0.512 57.402 58.000 -0.143 0.000 0.989 1301 F CB 3.888 42.819 39.000 -0.116 0.000 1.258 1301 F HN 0.490 8.774 8.300 -0.026 0.000 0.451 1302 T N 8.602 122.677 114.554 -0.799 0.000 2.837 1302 T HA 0.406 nan 4.350 nan 0.000 0.285 1302 T C -0.673 173.550 174.700 -0.795 0.000 0.984 1302 T CA -0.476 61.256 62.100 -0.613 0.000 1.049 1302 T CB 0.539 69.156 68.868 -0.418 0.000 0.947 1302 T HN -0.167 7.486 8.240 -0.978 0.000 0.472 1303 T N 1.729 115.995 114.554 -0.480 0.000 2.732 1303 T HA 0.190 nan 4.350 nan 0.000 0.287 1303 T C 0.384 174.975 174.700 -0.181 0.000 0.993 1303 T CA -1.304 60.612 62.100 -0.307 0.000 0.966 1303 T CB 1.003 69.731 68.868 -0.233 0.000 1.047 1303 T HN -0.013 7.992 8.240 -0.391 0.000 0.527 1304 E N 1.358 121.528 120.200 -0.049 0.000 2.023 1304 E HA -0.361 nan 4.350 nan 0.000 0.196 1304 E C 1.911 178.484 176.600 -0.045 0.000 1.003 1304 E CA 2.263 58.644 56.400 -0.030 0.000 0.809 1304 E CB 0.104 29.818 29.700 0.024 0.000 0.755 1304 E HN 0.370 8.752 8.360 0.037 0.000 0.449 1305 N N -1.805 116.880 118.700 -0.026 0.000 2.364 1305 N HA -0.176 nan 4.740 nan 0.000 0.183 1305 N C 0.708 176.187 175.510 -0.051 0.000 1.022 1305 N CA 0.578 53.612 53.050 -0.027 0.000 0.883 1305 N CB 0.599 39.083 38.487 -0.006 0.000 0.965 1305 N HN -0.559 8.070 8.380 -0.002 -0.250 0.438 1306 G N -1.640 107.110 108.800 -0.084 0.000 2.455 1306 G HA2 -0.359 nan 3.960 nan 0.000 0.169 1306 G HA3 -0.359 nan 3.960 nan 0.000 0.169 1306 G C -2.581 172.260 174.900 -0.097 0.000 1.074 1306 G CA -0.166 44.876 45.100 -0.097 0.000 0.796 1306 G HN -0.393 7.820 8.290 -0.101 0.017 0.489 1307 V N 0.171 120.006 119.914 -0.132 0.000 2.487 1307 V HA 0.450 nan 4.120 nan 0.000 0.298 1307 V C -0.856 175.128 176.094 -0.184 0.000 1.028 1307 V CA -1.667 60.556 62.300 -0.129 0.000 0.860 1307 V CB 2.569 34.325 31.823 -0.112 0.000 0.991 1307 V HN 0.207 8.297 8.190 -0.166 0.000 0.427 1308 K N 6.523 126.829 120.400 -0.156 0.000 2.292 1308 K HA 0.366 nan 4.320 nan 0.000 0.290 1308 K C -0.734 175.771 176.600 -0.158 0.000 1.083 1308 K CA -1.460 54.724 56.287 -0.171 0.000 0.918 1308 K CB -0.859 31.562 32.500 -0.132 0.000 1.089 1308 K HN 0.508 8.685 8.250 -0.121 0.000 0.473 1309 V N 6.838 126.652 119.914 -0.167 0.000 2.389 1309 V HA 0.315 nan 4.120 nan 0.000 0.264 1309 V C -0.768 175.257 176.094 -0.116 0.000 1.049 1309 V CA -0.137 62.093 62.300 -0.116 0.000 0.932 1309 V CB -0.283 31.485 31.823 -0.092 0.000 1.011 1309 V HN 0.734 8.800 8.190 -0.206 0.000 0.475 1310 I N 7.630 128.116 120.570 -0.140 0.000 2.307 1310 I HA 0.289 nan 4.170 nan 0.000 0.287 1310 I C -0.524 175.489 176.117 -0.174 0.000 1.054 1310 I CA -0.725 60.429 61.300 -0.243 0.000 1.218 1310 I CB 0.349 38.214 38.000 -0.226 0.000 1.398 1310 I HN 0.902 9.045 8.210 -0.112 0.000 0.475 1311 G N 7.830 116.537 108.800 -0.155 0.000 3.943 1311 G HA2 0.182 nan 3.960 nan 0.000 0.275 1311 G HA3 0.182 nan 3.960 nan 0.000 0.275 1311 G C -1.410 173.508 174.900 0.030 0.000 1.234 1311 G CA -1.126 43.950 45.100 -0.040 0.000 1.522 1311 G HN 0.542 8.716 8.290 -0.194 0.000 0.636 1312 Y N 2.925 123.244 120.300 0.032 0.000 2.644 1312 Y HA -0.031 nan 4.550 nan 0.000 0.354 1312 Y C 1.107 177.020 175.900 0.022 0.000 1.166 1312 Y CA -2.495 55.624 58.100 0.031 0.000 1.591 1312 Y CB -1.631 36.851 38.460 0.038 0.000 1.346 1312 Y HN -0.559 7.708 8.280 0.059 0.049 0.497 1313 T N 2.756 117.416 114.554 0.176 0.000 2.737 1313 T HA -0.340 nan 4.350 nan 0.000 0.269 1313 T C 0.282 175.023 174.700 0.067 0.000 1.040 1313 T CA 2.942 65.091 62.100 0.081 0.000 1.142 1313 T CB -0.456 68.436 68.868 0.039 0.000 0.861 1313 T HN -0.242 8.197 8.240 0.183 -0.089 0.456 1314 D N -0.463 119.976 120.400 0.066 0.000 2.363 1314 D HA -0.074 nan 4.640 nan 0.000 0.226 1314 D C 1.214 177.526 176.300 0.021 0.000 1.020 1314 D CA -0.210 53.801 54.000 0.019 0.000 0.892 1314 D CB -1.507 39.266 40.800 -0.045 0.000 0.900 1314 D HN -0.010 8.395 8.370 0.097 0.024 0.531 1315 L N 0.260 121.526 121.223 0.072 0.000 2.010 1315 L HA -0.329 nan 4.340 nan 0.000 0.219 1315 L C -1.032 175.890 176.870 0.087 0.000 1.077 1315 L CA 3.998 58.889 54.840 0.084 0.000 0.773 1315 L CB -2.571 39.563 42.059 0.125 0.000 0.892 1315 L HN -0.366 7.762 8.230 0.115 0.171 0.436 1316 P HA -0.112 nan 4.420 nan 0.000 0.219 1316 P C 0.956 178.329 177.300 0.122 0.000 1.146 1316 P CA 1.936 65.120 63.100 0.141 0.000 0.808 1316 P CB -0.092 31.722 31.700 0.190 0.000 0.779 1317 G N -2.471 106.380 108.800 0.086 0.000 2.426 1317 G HA2 -0.132 nan 3.960 nan 0.000 0.214 1317 G HA3 -0.132 nan 3.960 nan 0.000 0.214 1317 G C 1.193 176.108 174.900 0.024 0.000 1.156 1317 G CA 0.966 46.096 45.100 0.051 0.000 0.802 1317 G HN -0.206 8.126 8.290 0.081 0.006 0.534 1318 R N -0.227 120.275 120.500 0.004 0.000 2.417 1318 R HA -0.262 nan 4.340 nan 0.000 0.220 1318 R C -0.774 175.530 176.300 0.007 0.000 1.128 1318 R CA 1.530 57.613 56.100 -0.029 0.000 1.048 1318 R CB -0.179 30.079 30.300 -0.071 0.000 0.835 1318 R HN -0.260 7.919 8.270 0.010 0.097 0.483 1319 L N -0.118 121.131 121.223 0.043 0.000 2.594 1319 L HA 0.512 nan 4.340 nan 0.000 0.245 1319 L C -1.901 175.001 176.870 0.055 0.000 1.460 1319 L CA -3.684 51.195 54.840 0.065 0.000 0.865 1319 L CB 0.281 42.408 42.059 0.114 0.000 1.131 1319 L HN -0.497 7.683 8.230 0.048 0.079 0.506 1320 P HA -0.387 nan 4.420 nan 0.000 0.214 1320 P C 1.291 178.635 177.300 0.074 0.000 1.099 1320 P CA 3.046 66.177 63.100 0.052 0.000 0.976 1320 P CB -0.659 31.072 31.700 0.052 0.000 0.774 1321 T N 0.012 114.620 114.554 0.089 0.000 2.777 1321 T HA -0.215 nan 4.350 nan 0.000 0.266 1321 T C 2.517 177.269 174.700 0.085 0.000 1.040 1321 T CA 4.482 66.659 62.100 0.129 0.000 1.141 1321 T CB -0.505 68.448 68.868 0.142 0.000 0.868 1321 T HN 0.118 8.402 8.240 0.074 0.000 0.444 1322 Q N 1.403 121.235 119.800 0.053 0.000 2.187 1322 Q HA -0.136 nan 4.340 nan 0.000 0.199 1322 Q C 2.090 178.115 176.000 0.042 0.000 0.957 1322 Q CA 2.351 58.171 55.803 0.028 0.000 0.857 1322 Q CB -0.457 28.274 28.738 -0.012 0.000 0.929 1322 Q HN -0.340 7.959 8.270 0.050 0.000 0.453 1323 S N 1.728 117.463 115.700 0.057 0.000 2.356 1323 S HA -0.364 nan 4.470 nan 0.000 0.223 1323 S C 2.233 176.879 174.600 0.077 0.000 1.032 1323 S CA 4.346 62.591 58.200 0.074 0.000 1.005 1323 S CB -0.249 62.993 63.200 0.069 0.000 0.867 1323 S HN 0.226 8.570 8.310 0.057 0.000 0.449 1324 S N 2.056 117.790 115.700 0.057 0.000 2.383 1324 S HA -0.358 nan 4.470 nan 0.000 0.229 1324 S C 1.952 176.589 174.600 0.061 0.000 1.030 1324 S CA 3.960 62.191 58.200 0.051 0.000 1.002 1324 S CB -0.303 62.932 63.200 0.058 0.000 0.829 1324 S HN -0.076 8.268 8.310 0.057 0.000 0.467 1325 Q N 2.102 121.930 119.800 0.047 0.000 2.016 1325 Q HA -0.210 nan 4.340 nan 0.000 0.200 1325 Q C 2.080 178.096 176.000 0.025 0.000 0.978 1325 Q CA 2.649 58.465 55.803 0.023 0.000 0.833 1325 Q CB -0.459 28.289 28.738 0.015 0.000 0.895 1325 Q HN -0.246 7.964 8.270 0.052 0.092 0.427 1326 L N -1.107 120.140 121.223 0.039 0.000 2.072 1326 L HA -0.335 nan 4.340 nan 0.000 0.205 1326 L C 2.101 178.992 176.870 0.034 0.000 1.079 1326 L CA 2.863 57.718 54.840 0.026 0.000 0.752 1326 L CB -0.297 41.781 42.059 0.032 0.000 0.906 1326 L HN 0.042 8.302 8.230 0.050 0.000 0.436 1327 Y N -0.262 120.008 120.300 -0.049 0.000 2.097 1327 Y HA -0.506 nan 4.550 nan 0.000 0.282 1327 Y C 1.976 177.813 175.900 -0.105 0.000 1.152 1327 Y CA 4.241 62.286 58.100 -0.092 0.000 1.136 1327 Y CB -0.174 38.214 38.460 -0.121 0.000 0.975 1327 Y HN 0.365 8.758 8.280 0.188 0.000 0.498 1328 G N -2.585 106.285 108.800 0.115 0.000 2.469 1328 G HA2 -0.539 nan 3.960 nan 0.000 0.219 1328 G HA3 -0.539 nan 3.960 nan 0.000 0.219 1328 G C 1.153 176.014 174.900 -0.066 0.000 1.150 1328 G CA 2.485 47.593 45.100 0.014 0.000 0.763 1328 G HN -0.076 8.313 8.290 0.165 0.000 0.561 1329 T N 4.245 118.765 114.554 -0.058 0.000 2.951 1329 T HA -0.269 nan 4.350 nan 0.000 0.268 1329 T C 2.180 176.814 174.700 -0.110 0.000 1.073 1329 T CA 4.916 66.973 62.100 -0.073 0.000 1.134 1329 T CB -0.680 68.158 68.868 -0.050 0.000 0.884 1329 T HN 0.193 8.229 8.240 -0.030 0.186 0.479 1330 N N 2.743 121.347 118.700 -0.160 0.000 2.166 1330 N HA -0.266 nan 4.740 nan 0.000 0.186 1330 N C 1.888 177.256 175.510 -0.237 0.000 1.019 1330 N CA 3.872 56.792 53.050 -0.216 0.000 0.856 1330 N CB -0.165 38.123 38.487 -0.332 0.000 0.993 1330 N HN -0.153 8.032 8.380 -0.159 0.100 0.426 1331 L N -0.348 120.717 121.223 -0.265 0.000 2.056 1331 L HA -0.342 nan 4.340 nan 0.000 0.207 1331 L C 1.608 178.372 176.870 -0.176 0.000 1.078 1331 L CA 3.550 58.251 54.840 -0.233 0.000 0.749 1331 L CB -0.366 41.567 42.059 -0.210 0.000 0.901 1331 L HN -0.042 8.011 8.230 -0.293 0.002 0.433 1332 V N 0.384 120.214 119.914 -0.141 0.000 2.231 1332 V HA -0.590 nan 4.120 nan 0.000 0.248 1332 V C 2.184 178.226 176.094 -0.087 0.000 1.054 1332 V CA 4.757 66.994 62.300 -0.106 0.000 1.015 1332 V CB -1.021 30.757 31.823 -0.075 0.000 0.638 1332 V HN 0.546 8.489 8.190 -0.136 0.166 0.444 1333 N N -0.736 117.913 118.700 -0.085 0.000 2.104 1333 N HA -0.336 nan 4.740 nan 0.000 0.190 1333 N C 2.226 177.693 175.510 -0.070 0.000 1.024 1333 N CA 3.103 56.112 53.050 -0.069 0.000 0.853 1333 N CB -0.475 37.969 38.487 -0.071 0.000 1.008 1333 N HN -0.088 8.236 8.380 -0.094 0.000 0.424 1334 L N 0.917 122.081 121.223 -0.098 0.000 2.012 1334 L HA -0.296 nan 4.340 nan 0.000 0.210 1334 L C 1.359 178.189 176.870 -0.066 0.000 1.073 1334 L CA 3.576 58.361 54.840 -0.091 0.000 0.748 1334 L CB -0.034 41.949 42.059 -0.128 0.000 0.891 1334 L HN -0.003 8.153 8.230 -0.123 0.000 0.431 1335 L N -3.926 117.245 121.223 -0.086 0.000 2.291 1335 L HA -0.410 nan 4.340 nan 0.000 0.214 1335 L C 2.449 179.330 176.870 0.018 0.000 1.120 1335 L CA 2.665 57.473 54.840 -0.053 0.000 0.799 1335 L CB -1.084 40.879 42.059 -0.161 0.000 0.925 1335 L HN 0.240 8.327 8.230 -0.117 0.073 0.446 1336 K N 0.027 120.425 120.400 -0.002 0.000 2.025 1336 K HA -0.306 nan 4.320 nan 0.000 0.207 1336 K C 2.314 178.922 176.600 0.014 0.000 1.049 1336 K CA 3.074 59.368 56.287 0.013 0.000 0.933 1336 K CB -0.134 32.363 32.500 -0.004 0.000 0.714 1336 K HN -0.063 8.081 8.250 -0.031 0.088 0.438 1337 L N -1.738 119.484 121.223 -0.001 0.000 2.109 1337 L HA -0.254 nan 4.340 nan 0.000 0.207 1337 L C 1.566 178.449 176.870 0.021 0.000 1.086 1337 L CA 2.683 57.524 54.840 0.003 0.000 0.760 1337 L CB 0.089 42.140 42.059 -0.014 0.000 0.910 1337 L HN -0.346 7.874 8.230 -0.016 0.000 0.437 1338 L N -1.409 119.831 121.223 0.028 0.000 1.961 1338 L HA -0.198 nan 4.340 nan 0.000 0.209 1338 L C 1.226 178.143 176.870 0.078 0.000 1.075 1338 L CA 3.508 58.381 54.840 0.056 0.000 0.749 1338 L CB 0.184 42.277 42.059 0.057 0.000 0.890 1338 L HN 0.334 8.464 8.230 0.013 0.107 0.433 1339 C N -1.763 117.600 119.300 0.105 0.000 2.700 1339 C HA 0.088 nan 4.460 nan 0.000 0.529 1339 C C 1.237 176.278 174.990 0.086 0.000 1.093 1339 C CA -1.727 57.367 59.018 0.127 0.000 1.320 1339 C CB -2.860 25.033 27.740 0.254 0.000 1.478 1339 C HN 0.055 8.229 8.230 0.100 0.116 0.598 1340 K N 4.157 124.590 120.400 0.056 0.000 2.211 1340 K HA -0.288 nan 4.320 nan 0.000 0.203 1340 K C 1.609 178.226 176.600 0.029 0.000 1.050 1340 K CA 3.060 59.370 56.287 0.037 0.000 0.945 1340 K CB -0.179 32.337 32.500 0.028 0.000 0.732 1340 K HN -0.337 7.906 8.250 0.055 0.040 0.451 1341 E N -1.894 118.321 120.200 0.026 0.000 2.274 1341 E HA -0.150 nan 4.350 nan 0.000 0.194 1341 E C -0.313 176.294 176.600 0.011 0.000 0.996 1341 E CA 0.619 57.027 56.400 0.013 0.000 0.840 1341 E CB -0.741 28.961 29.700 0.003 0.000 0.772 1341 E HN 0.024 8.401 8.360 0.029 0.000 0.491 1342 K N -1.125 119.292 120.400 0.030 0.000 3.257 1342 K HA -0.305 nan 4.320 nan 0.000 0.270 1342 K C -0.268 176.307 176.600 -0.040 0.000 0.984 1342 K CA 0.560 56.867 56.287 0.034 0.000 0.739 1342 K CB -1.510 31.020 32.500 0.050 0.000 1.351 1342 K HN -0.298 7.759 8.250 0.046 0.221 0.463 1343 D N -1.939 118.419 120.400 -0.070 0.000 2.194 1343 D HA -0.146 nan 4.640 nan 0.000 0.204 1343 D C 1.351 177.496 176.300 -0.258 0.000 0.964 1343 D CA 0.841 54.770 54.000 -0.118 0.000 0.846 1343 D CB 0.583 41.334 40.800 -0.081 0.000 0.962 1343 D HN -0.226 8.124 8.370 -0.034 0.000 0.490 1344 G N -0.047 108.455 108.800 -0.495 0.000 2.154 1344 G HA2 -0.321 nan 3.960 nan 0.000 0.186 1344 G HA3 -0.321 nan 3.960 nan 0.000 0.186 1344 G C -1.834 172.477 174.900 -0.981 0.000 1.000 1344 G CA -0.235 44.194 45.100 -1.117 0.000 0.664 1344 G HN -0.304 7.765 8.290 -0.368 0.000 0.513 1345 N N -1.850 116.595 118.700 -0.424 0.000 2.321 1345 N HA 0.259 nan 4.740 nan 0.000 0.290 1345 N C -1.213 174.389 175.510 0.153 0.000 1.212 1345 N CA -1.172 51.840 53.050 -0.064 0.000 0.767 1345 N CB 3.351 41.847 38.487 0.015 0.000 1.494 1345 N HN -0.899 7.670 8.380 -0.282 -0.359 0.479 1346 I N 2.237 122.963 120.570 0.260 0.000 2.293 1346 I HA 0.028 nan 4.170 nan 0.000 0.299 1346 I C 0.068 176.271 176.117 0.145 0.000 1.153 1346 I CA -0.923 60.517 61.300 0.234 0.000 1.302 1346 I CB -2.125 35.986 38.000 0.184 0.000 1.460 1346 I HN 0.345 9.043 8.210 0.249 -0.338 0.552 1347 T N 9.588 124.217 114.554 0.125 0.000 2.736 1347 T HA -0.135 nan 4.350 nan 0.000 0.275 1347 T C -0.277 174.486 174.700 0.105 0.000 0.962 1347 T CA 0.983 63.139 62.100 0.093 0.000 1.214 1347 T CB -0.592 68.324 68.868 0.079 0.000 0.904 1347 T HN -0.171 8.153 8.240 0.140 0.000 0.529 1348 V N 8.681 128.659 119.914 0.108 0.000 2.322 1348 V HA 0.002 nan 4.120 nan 0.000 0.258 1348 V C -1.175 175.047 176.094 0.214 0.000 1.074 1348 V CA -0.770 61.621 62.300 0.152 0.000 0.909 1348 V CB -0.159 31.747 31.823 0.137 0.000 1.090 1348 V HN 0.204 8.446 8.190 0.087 0.000 0.486 1349 D N 5.783 126.302 120.400 0.199 0.000 2.348 1349 D HA -0.074 nan 4.640 nan 0.000 0.253 1349 D C -1.030 175.459 176.300 0.315 0.000 1.161 1349 D CA 0.964 55.081 54.000 0.194 0.000 0.876 1349 D CB 1.569 42.428 40.800 0.099 0.000 1.160 1349 D HN -0.371 8.091 8.370 0.153 0.000 0.459 1350 F N 3.377 123.337 119.950 0.016 0.000 2.706 1350 F HA 0.115 nan 4.527 nan 0.000 0.313 1350 F C -0.270 175.537 175.800 0.012 0.000 1.096 1350 F CA 0.238 58.248 58.000 0.016 0.000 1.219 1350 F CB 1.049 40.059 39.000 0.018 0.000 1.051 1350 F HN 0.069 8.552 8.300 0.306 0.000 0.568 1351 D N 0.366 120.836 120.400 0.116 0.000 2.162 1351 D HA -0.129 nan 4.640 nan 0.000 0.205 1351 D C -0.050 176.256 176.300 0.011 0.000 0.964 1351 D CA 1.350 55.387 54.000 0.062 0.000 0.847 1351 D CB 0.713 41.547 40.800 0.056 0.000 0.988 1351 D HN -0.575 8.018 8.370 0.129 -0.146 0.480 1352 D N -0.418 119.980 120.400 -0.005 0.000 2.372 1352 D HA -0.085 nan 4.640 nan 0.000 0.243 1352 D C 1.846 178.103 176.300 -0.071 0.000 1.121 1352 D CA -0.168 53.814 54.000 -0.030 0.000 0.898 1352 D CB 2.067 42.854 40.800 -0.023 0.000 1.202 1352 D HN -0.452 8.235 8.370 0.013 -0.310 0.428 1353 V N 0.680 120.557 119.914 -0.062 0.000 2.427 1353 V HA -0.137 nan 4.120 nan 0.000 0.248 1353 V C 1.240 177.276 176.094 -0.096 0.000 1.051 1353 V CA 2.732 64.986 62.300 -0.077 0.000 1.048 1353 V CB -0.303 31.489 31.823 -0.050 0.000 0.666 1353 V HN 0.328 8.492 8.190 -0.044 0.000 0.456 1354 V N 0.599 120.466 119.914 -0.078 0.000 2.323 1354 V HA -0.307 nan 4.120 nan 0.000 0.244 1354 V C 1.864 177.898 176.094 -0.100 0.000 1.041 1354 V CA 3.673 65.928 62.300 -0.074 0.000 1.025 1354 V CB -0.713 31.077 31.823 -0.055 0.000 0.656 1354 V HN -0.580 7.978 8.190 -0.065 -0.406 0.451 1355 I N -1.114 119.388 120.570 -0.112 0.000 2.286 1355 I HA -0.322 nan 4.170 nan 0.000 0.245 1355 I C 2.402 178.342 176.117 -0.295 0.000 1.104 1355 I CA 1.802 63.021 61.300 -0.135 0.000 1.397 1355 I CB -1.839 36.118 38.000 -0.071 0.000 1.072 1355 I HN -0.306 8.154 8.210 -0.091 -0.305 0.417 1356 R N 0.559 120.807 120.500 -0.421 0.000 2.154 1356 R HA -0.358 nan 4.340 nan 0.000 0.248 1356 R C 1.522 177.587 176.300 -0.393 0.000 1.155 1356 R CA 2.814 58.513 56.100 -0.667 0.000 0.979 1356 R CB -0.565 29.485 30.300 -0.417 0.000 0.869 1356 R HN -0.059 8.031 8.270 -0.299 0.000 0.452 1357 G N -3.944 104.735 108.800 -0.201 0.000 2.490 1357 G HA2 0.049 nan 3.960 nan 0.000 0.211 1357 G HA3 0.049 nan 3.960 nan 0.000 0.211 1357 G C 0.592 175.475 174.900 -0.029 0.000 1.159 1357 G CA 0.507 45.558 45.100 -0.081 0.000 0.819 1357 G HN -0.677 7.371 8.290 -0.183 0.132 0.539 1358 V N 2.306 122.184 119.914 -0.061 0.000 2.427 1358 V HA -0.103 nan 4.120 nan 0.000 0.248 1358 V C 0.450 176.535 176.094 -0.016 0.000 1.051 1358 V CA 2.041 64.318 62.300 -0.039 0.000 1.048 1358 V CB 0.438 32.225 31.823 -0.060 0.000 0.666 1358 V HN -0.162 7.971 8.190 -0.094 0.000 0.456 1359 T N 3.208 117.748 114.554 -0.023 0.000 3.462 1359 T HA -0.002 nan 4.350 nan 0.000 0.257 1359 T C 1.069 175.837 174.700 0.113 0.000 1.015 1359 T CA 1.287 63.426 62.100 0.065 0.000 1.135 1359 T CB -2.496 66.471 68.868 0.164 0.000 1.061 1359 T HN -0.109 8.076 8.240 -0.091 0.000 0.772 1360 V N 0.895 120.862 119.914 0.090 0.000 2.594 1360 V HA -0.127 nan 4.120 nan 0.000 0.253 1360 V C -0.532 175.657 176.094 0.159 0.000 1.069 1360 V CA 2.646 65.024 62.300 0.129 0.000 1.082 1360 V CB -0.089 31.701 31.823 -0.055 0.000 0.680 1360 V HN 0.172 8.352 8.190 0.043 0.036 0.469 1361 I N -1.954 118.691 120.570 0.126 0.000 2.503 1361 I HA 0.203 nan 4.170 nan 0.000 0.282 1361 I C -2.134 174.064 176.117 0.135 0.000 1.059 1361 I CA -0.837 60.536 61.300 0.122 0.000 1.081 1361 I CB 2.167 40.208 38.000 0.068 0.000 1.210 1361 I HN -0.465 7.771 8.210 0.109 0.040 0.450 1362 R N 8.006 128.601 120.500 0.158 0.000 2.205 1362 R HA 0.099 nan 4.340 nan 0.000 0.342 1362 R C -0.872 175.452 176.300 0.040 0.000 1.058 1362 R CA -1.121 55.040 56.100 0.101 0.000 0.904 1362 R CB 0.559 30.873 30.300 0.023 0.000 1.089 1362 R HN 0.439 8.816 8.270 0.179 0.000 0.471 1363 A N 4.915 127.760 122.820 0.042 0.000 2.466 1363 A HA -0.360 nan 4.320 nan 0.000 0.295 1363 A C 0.117 177.717 177.584 0.027 0.000 1.465 1363 A CA 0.714 52.769 52.037 0.029 0.000 0.744 1363 A CB -1.874 17.134 19.000 0.014 0.000 1.098 1363 A HN 0.873 9.056 8.150 0.055 0.000 0.402 1364 G N -2.307 106.516 108.800 0.037 0.000 2.579 1364 G HA2 -0.494 nan 3.960 nan 0.000 0.222 1364 G HA3 -0.494 nan 3.960 nan 0.000 0.222 1364 G C -0.295 174.633 174.900 0.047 0.000 1.201 1364 G CA 0.345 45.466 45.100 0.036 0.000 0.710 1364 G HN 0.068 8.385 8.290 0.044 0.000 0.516 1365 E N 4.061 124.287 120.200 0.044 0.000 2.328 1365 E HA -0.074 nan 4.350 nan 0.000 0.265 1365 E C -0.675 175.984 176.600 0.097 0.000 1.057 1365 E CA -0.403 56.031 56.400 0.057 0.000 0.916 1365 E CB -0.077 29.642 29.700 0.033 0.000 0.993 1365 E HN -0.428 7.878 8.360 0.030 0.072 0.446 1366 I N 4.851 125.490 120.570 0.116 0.000 2.460 1366 I HA -0.112 nan 4.170 nan 0.000 0.297 1366 I C 0.159 176.402 176.117 0.210 0.000 1.139 1366 I CA 0.304 61.705 61.300 0.169 0.000 1.340 1366 I CB -1.219 36.892 38.000 0.185 0.000 1.444 1366 I HN 0.106 8.375 8.210 0.099 0.000 0.557 1367 T N 2.182 116.880 114.554 0.240 0.000 3.188 1367 T HA 0.168 nan 4.350 nan 0.000 0.250 1367 T C -0.212 174.648 174.700 0.267 0.000 1.077 1367 T CA -1.060 61.204 62.100 0.273 0.000 0.967 1367 T CB -0.403 68.718 68.868 0.422 0.000 1.006 1367 T HN -0.173 8.204 8.240 0.228 0.000 0.552 1368 W N 3.571 124.910 121.300 0.064 0.000 2.238 1368 W HA 0.237 nan 4.660 nan 0.000 0.321 1368 W C -2.352 174.184 176.519 0.029 0.000 1.293 1368 W CA -2.088 55.277 57.345 0.033 0.000 1.204 1368 W CB -0.116 29.365 29.460 0.035 0.000 1.167 1368 W HN -0.492 7.850 8.180 0.427 0.095 0.553 1369 P HA 0.089 nan 4.420 nan 0.000 0.321 1369 P C -1.750 175.525 177.300 -0.042 0.000 1.304 1369 P CA -1.903 61.116 63.100 -0.135 0.000 0.759 1369 P CB 1.682 33.210 31.700 -0.287 0.000 1.385 1370 A N -1.174 121.620 122.820 -0.043 0.000 2.327 1370 A HA 0.130 nan 4.320 nan 0.000 0.255 1370 A C -1.315 176.232 177.584 -0.062 0.000 1.099 1370 A CA -1.517 50.479 52.037 -0.069 0.000 0.801 1370 A CB -0.885 18.068 19.000 -0.078 0.000 1.062 1370 A HN 0.105 8.241 8.150 -0.022 0.000 0.496 1371 P HA 0.098 nan 4.420 nan 0.000 0.268 1371 P C -2.172 175.102 177.300 -0.043 0.000 1.208 1371 P CA -1.512 61.563 63.100 -0.041 0.000 0.777 1371 P CB -0.579 31.105 31.700 -0.027 0.000 0.875 1372 P HA -0.023 nan 4.420 nan 0.000 0.263 1372 P C -1.457 175.827 177.300 -0.027 0.000 1.247 1372 P CA -0.048 63.030 63.100 -0.036 0.000 0.876 1372 P CB -0.079 31.601 31.700 -0.034 0.000 0.928 1373 I N 5.374 125.928 120.570 -0.026 0.000 2.307 1373 I HA -0.014 nan 4.170 nan 0.000 0.287 1373 I C -0.714 175.394 176.117 -0.015 0.000 1.054 1373 I CA -2.144 59.144 61.300 -0.021 0.000 1.218 1373 I CB -1.002 36.982 38.000 -0.026 0.000 1.398 1373 I HN -0.127 8.066 8.210 -0.029 0.000 0.475 1374 Q N 5.908 125.701 119.800 -0.012 0.000 2.255 1374 Q HA -0.101 nan 4.340 nan 0.000 0.280 1374 Q C -0.254 175.743 176.000 -0.005 0.000 1.068 1374 Q CA 0.188 55.987 55.803 -0.007 0.000 0.911 1374 Q CB 0.173 28.907 28.738 -0.006 0.000 1.157 1374 Q HN 0.114 8.376 8.270 -0.013 0.000 0.380 1375 V N 4.992 124.905 119.914 -0.001 0.000 2.455 1375 V HA 0.131 nan 4.120 nan 0.000 0.273 1375 V C 0.212 176.308 176.094 0.003 0.000 1.045 1375 V CA 1.079 63.380 62.300 0.001 0.000 0.976 1375 V CB 0.019 31.846 31.823 0.007 0.000 0.993 1375 V HN 0.351 8.542 8.190 0.001 0.000 0.475 1376 S N 0.000 115.701 115.700 0.001 0.000 2.498 1376 S HA 0.000 4.504 4.470 0.057 0.000 0.327 1376 S CA 0.000 nan 58.200 nan 0.000 1.107 1376 S CB 0.000 nan 63.200 nan 0.000 0.593 1376 S HN 0.000 nan 8.310 nan 0.000 0.517