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 3dkb_1_B DATA FIRST_RESID 1003 DATA SEQUENCE EQVLPQALYL SNMRKAVKIR ERTPEDIFKP TNGIIHHFKT MHRYTLEMFR DATA SEQUENCE TCQFCPQFRE IIHKALIDRN IQATLESQKK LNWCREVRKL VALKTNGDGN DATA SEQUENCE CLMHATSQYM WGVQDTDLVL RKALFSTLKE TDTRNFKFRW QLESLKSQEF DATA SEQUENCE VEXXXXYDTR NWNDEWDNLI KMASTDTPMA RSGLQYNSLE EIHIFVLCNI DATA SEQUENCE LRRPIIVISD KMLRSLESGX XXXPLKVGGI YLPLHWPAQE CYRYPIVLGY DATA SEQUENCE DSHHFVPLVT LKDSGPEIRA VPLVNRDRGR FEDLKVHFLT DPENEMKEKL DATA SEQUENCE LKEYLMVIEI PVQGWDHGTT HLINAAKLDE ANLPKEINLV DDYFELVQHE DATA SEQUENCE YKKWQENSEQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1003 E HA 0.000 nan 4.350 nan 0.000 0.291 1003 E C 0.000 176.610 176.600 0.016 0.000 1.382 1003 E CA 0.000 56.409 56.400 0.015 0.000 0.976 1003 E CB 0.000 29.706 29.700 0.009 0.000 0.812 1004 Q N 0.878 120.693 119.800 0.026 0.000 2.608 1004 Q HA 0.026 4.366 4.340 -0.001 0.000 0.301 1004 Q C 0.099 176.089 176.000 -0.017 0.000 1.257 1004 Q CA 0.154 55.968 55.803 0.020 0.000 1.044 1004 Q CB -0.809 27.934 28.738 0.008 0.000 1.232 1004 Q HN 0.350 nan 8.270 nan 0.000 0.448 1005 V N 6.112 126.018 119.914 -0.012 0.000 2.242 1005 V HA 0.100 4.220 4.120 -0.001 0.000 0.242 1005 V C -0.709 175.342 176.094 -0.072 0.000 1.240 1005 V CA -0.360 61.919 62.300 -0.036 0.000 1.211 1005 V CB -0.148 31.659 31.823 -0.028 0.000 1.338 1005 V HN 0.629 nan 8.190 nan 0.000 0.499 1006 L N 10.177 131.347 121.223 -0.089 0.000 2.353 1006 L HA 0.632 4.971 4.340 -0.001 0.000 0.270 1006 L C -1.941 174.887 176.870 -0.070 0.000 1.003 1006 L CA -1.908 52.850 54.840 -0.137 0.000 0.862 1006 L CB 1.746 43.722 42.059 -0.138 0.000 1.221 1006 L HN 0.397 nan 8.230 nan 0.000 0.430 1007 P HA -0.132 nan 4.420 nan 0.000 0.267 1007 P C -0.138 177.253 177.300 0.152 0.000 1.175 1007 P CA 0.187 63.283 63.100 -0.007 0.000 0.763 1007 P CB 0.809 32.465 31.700 -0.074 0.000 0.795 1008 Q N 0.664 120.524 119.800 0.098 0.000 2.378 1008 Q HA 0.172 4.511 4.340 -0.001 0.000 0.205 1008 Q C 0.687 176.776 176.000 0.148 0.000 0.954 1008 Q CA 1.032 56.900 55.803 0.108 0.000 0.901 1008 Q CB -0.017 28.761 28.738 0.068 0.000 0.981 1008 Q HN 0.675 nan 8.270 nan 0.000 0.483 1009 A N -1.478 121.463 122.820 0.202 0.000 2.515 1009 A HA 0.474 4.793 4.320 -0.001 0.000 0.296 1009 A C -0.022 177.755 177.584 0.321 0.000 1.094 1009 A CA -0.613 51.573 52.037 0.249 0.000 0.718 1009 A CB 0.664 19.899 19.000 0.391 0.000 1.307 1009 A HN 0.166 nan 8.150 nan 0.000 0.408 1010 L N 0.076 121.462 121.223 0.272 0.000 2.131 1010 L HA -0.168 4.172 4.340 -0.001 0.000 0.210 1010 L C 2.277 179.362 176.870 0.357 0.000 1.092 1010 L CA 2.073 57.111 54.840 0.330 0.000 0.759 1010 L CB -0.636 41.523 42.059 0.166 0.000 0.903 1010 L HN 0.964 nan 8.230 nan 0.000 0.435 1011 Y N -1.245 119.152 120.300 0.161 0.000 2.509 1011 Y HA -0.027 4.523 4.550 -0.001 0.000 0.293 1011 Y C 1.954 177.914 175.900 0.101 0.000 1.133 1011 Y CA 0.639 58.810 58.100 0.119 0.000 1.283 1011 Y CB -0.493 38.024 38.460 0.095 0.000 1.001 1011 Y HN 0.014 nan 8.280 nan 0.000 0.555 1012 L N 0.822 121.738 121.223 -0.511 0.000 2.291 1012 L HA -0.108 4.231 4.340 -0.001 0.000 0.214 1012 L C 2.630 179.365 176.870 -0.226 0.000 1.120 1012 L CA 1.093 55.613 54.840 -0.533 0.000 0.799 1012 L CB -0.606 41.180 42.059 -0.456 0.000 0.925 1012 L HN 0.464 nan 8.230 nan 0.000 0.446 1013 S N -0.946 114.689 115.700 -0.109 0.000 2.500 1013 S HA -0.122 4.347 4.470 -0.001 0.000 0.239 1013 S C 0.948 175.504 174.600 -0.074 0.000 0.989 1013 S CA 0.673 58.800 58.200 -0.121 0.000 0.951 1013 S CB -0.178 62.972 63.200 -0.082 0.000 0.759 1013 S HN 0.506 nan 8.310 nan 0.000 0.523 1014 N N -0.300 118.371 118.700 -0.047 0.000 3.111 1014 N HA 0.231 4.971 4.740 -0.001 0.000 0.200 1014 N C 0.018 175.528 175.510 0.001 0.000 1.464 1014 N CA -0.059 52.978 53.050 -0.022 0.000 0.758 1014 N CB 0.045 38.536 38.487 0.007 0.000 1.548 1014 N HN 0.223 nan 8.380 nan 0.000 0.595 1015 M N 0.038 119.622 119.600 -0.027 0.000 2.358 1015 M HA -0.054 4.426 4.480 -0.001 0.000 0.264 1015 M C 2.042 178.374 176.300 0.054 0.000 1.064 1015 M CA 1.095 56.411 55.300 0.026 0.000 1.093 1015 M CB 0.071 32.668 32.600 -0.006 0.000 1.401 1015 M HN 0.308 nan 8.290 nan 0.000 0.440 1016 R N 0.956 121.470 120.500 0.023 0.000 2.070 1016 R HA -0.165 4.174 4.340 -0.001 0.000 0.233 1016 R C 2.126 178.441 176.300 0.024 0.000 1.137 1016 R CA 1.669 57.781 56.100 0.019 0.000 0.945 1016 R CB -0.323 29.978 30.300 0.003 0.000 0.845 1016 R HN 0.334 nan 8.270 nan 0.000 0.430 1017 K N -0.078 120.337 120.400 0.025 0.000 2.097 1017 K HA -0.106 4.214 4.320 -0.001 0.000 0.206 1017 K C 1.903 178.526 176.600 0.039 0.000 1.049 1017 K CA 1.409 57.709 56.287 0.022 0.000 0.933 1017 K CB -0.131 32.383 32.500 0.022 0.000 0.717 1017 K HN 0.192 nan 8.250 nan 0.000 0.442 1018 A N 0.632 123.505 122.820 0.088 0.000 1.940 1018 A HA -0.113 4.206 4.320 -0.001 0.000 0.219 1018 A C 2.160 179.789 177.584 0.074 0.000 1.176 1018 A CA 1.644 53.759 52.037 0.130 0.000 0.631 1018 A CB -0.507 18.675 19.000 0.304 0.000 0.814 1018 A HN 0.191 nan 8.150 nan 0.000 0.446 1019 V N -0.141 119.810 119.914 0.062 0.000 2.548 1019 V HA -0.207 3.913 4.120 -0.001 0.000 0.249 1019 V C 2.446 178.537 176.094 -0.005 0.000 1.055 1019 V CA 2.226 64.544 62.300 0.031 0.000 1.065 1019 V CB -0.603 31.240 31.823 0.033 0.000 0.681 1019 V HN 0.695 nan 8.190 nan 0.000 0.462 1020 K N 0.659 121.053 120.400 -0.010 0.000 2.026 1020 K HA -0.156 4.163 4.320 -0.001 0.000 0.208 1020 K C 1.961 178.520 176.600 -0.068 0.000 1.048 1020 K CA 1.831 58.097 56.287 -0.034 0.000 0.929 1020 K CB -0.322 32.160 32.500 -0.031 0.000 0.713 1020 K HN 0.408 nan 8.250 nan 0.000 0.439 1021 I N 0.792 121.316 120.570 -0.077 0.000 2.142 1021 I HA -0.279 3.891 4.170 -0.001 0.000 0.240 1021 I C 2.260 178.268 176.117 -0.183 0.000 1.078 1021 I CA 1.373 62.583 61.300 -0.149 0.000 1.343 1021 I CB -0.269 37.664 38.000 -0.112 0.000 1.046 1021 I HN 0.154 nan 8.210 nan 0.000 0.405 1022 R N 0.635 121.071 120.500 -0.106 0.000 2.293 1022 R HA -0.119 4.221 4.340 -0.001 0.000 0.219 1022 R C 1.704 177.952 176.300 -0.086 0.000 1.091 1022 R CA 0.835 56.878 56.100 -0.095 0.000 1.004 1022 R CB -0.214 30.067 30.300 -0.031 0.000 0.865 1022 R HN 0.564 nan 8.270 nan 0.000 0.469 1023 E N 0.047 120.198 120.200 -0.082 0.000 2.251 1023 E HA 0.009 4.358 4.350 -0.001 0.000 0.194 1023 E C 1.834 178.384 176.600 -0.084 0.000 0.964 1023 E CA 0.107 56.468 56.400 -0.066 0.000 0.868 1023 E CB 0.257 29.930 29.700 -0.046 0.000 0.828 1023 E HN 0.257 nan 8.360 nan 0.000 0.481 1024 R N 0.551 120.985 120.500 -0.110 0.000 2.115 1024 R HA -0.016 4.324 4.340 -0.001 0.000 0.226 1024 R C 2.290 178.518 176.300 -0.119 0.000 1.100 1024 R CA 1.097 57.133 56.100 -0.108 0.000 0.980 1024 R CB -0.294 29.936 30.300 -0.116 0.000 0.875 1024 R HN 0.035 nan 8.270 nan 0.000 0.445 1025 T N 2.000 116.445 114.554 -0.182 0.000 2.570 1025 T HA -0.134 4.216 4.350 -0.001 0.000 0.266 1025 T C -0.959 173.723 174.700 -0.030 0.000 1.071 1025 T CA 1.994 64.000 62.100 -0.156 0.000 1.172 1025 T CB -0.922 67.775 68.868 -0.286 0.000 0.864 1025 T HN 0.270 nan 8.240 nan 0.000 0.421 1026 P HA -0.047 nan 4.420 nan 0.000 0.220 1026 P C 0.905 178.119 177.300 -0.143 0.000 1.148 1026 P CA 1.220 64.258 63.100 -0.102 0.000 0.803 1026 P CB -0.080 31.579 31.700 -0.068 0.000 0.782 1027 E N -0.423 119.709 120.200 -0.113 0.000 2.427 1027 E HA -0.090 4.260 4.350 -0.001 0.000 0.196 1027 E C 1.586 178.103 176.600 -0.139 0.000 1.028 1027 E CA 0.242 56.572 56.400 -0.117 0.000 0.864 1027 E CB -0.304 29.343 29.700 -0.088 0.000 0.813 1027 E HN 0.312 nan 8.360 nan 0.000 0.514 1028 D N 0.608 120.929 120.400 -0.131 0.000 2.339 1028 D HA 0.013 4.653 4.640 -0.001 0.000 0.217 1028 D C 0.140 176.288 176.300 -0.254 0.000 1.050 1028 D CA -0.016 53.925 54.000 -0.097 0.000 0.856 1028 D CB 0.419 41.273 40.800 0.089 0.000 0.922 1028 D HN 0.105 nan 8.370 nan 0.000 0.518 1029 I N 1.688 122.003 120.570 -0.426 0.000 2.371 1029 I HA 0.076 4.246 4.170 -0.001 0.000 0.290 1029 I C -0.082 175.877 176.117 -0.264 0.000 1.028 1029 I CA -0.629 60.335 61.300 -0.559 0.000 1.345 1029 I CB 0.797 38.437 38.000 -0.600 0.000 1.407 1029 I HN -0.156 nan 8.210 nan 0.000 0.501 1030 F N 6.975 126.682 119.950 -0.405 0.000 2.421 1030 F HA 0.268 4.795 4.527 -0.001 0.000 0.358 1030 F C 0.493 176.172 175.800 -0.202 0.000 1.115 1030 F CA -1.130 56.669 58.000 -0.334 0.000 1.160 1030 F CB 0.551 39.199 39.000 -0.586 0.000 1.123 1030 F HN 0.346 nan 8.300 nan 0.000 0.508 1031 K N 7.060 127.618 120.400 0.262 0.000 3.016 1031 K HA 0.221 4.540 4.320 -0.001 0.000 0.226 1031 K C -2.415 174.363 176.600 0.296 0.000 1.245 1031 K CA -1.531 54.897 56.287 0.235 0.000 1.174 1031 K CB -0.002 32.432 32.500 -0.110 0.000 1.572 1031 K HN 0.334 nan 8.250 nan 0.000 0.462 1032 P HA -0.075 nan 4.420 nan 0.000 0.257 1032 P C 0.511 177.857 177.300 0.076 0.000 1.189 1032 P CA 0.490 63.601 63.100 0.017 0.000 0.780 1032 P CB 0.620 32.238 31.700 -0.137 0.000 0.772 1033 T N -0.400 114.199 114.554 0.074 0.000 3.219 1033 T HA -0.046 4.304 4.350 -0.001 0.000 0.249 1033 T C 1.217 175.923 174.700 0.010 0.000 1.099 1033 T CA 0.144 62.284 62.100 0.066 0.000 0.988 1033 T CB -0.674 68.232 68.868 0.063 0.000 0.999 1033 T HN 0.318 nan 8.240 nan 0.000 0.550 1034 N N 2.041 120.730 118.700 -0.019 0.000 2.081 1034 N HA 0.210 4.950 4.740 -0.001 0.000 0.191 1034 N C 1.652 177.125 175.510 -0.062 0.000 1.053 1034 N CA 1.890 54.914 53.050 -0.043 0.000 0.846 1034 N CB -0.690 37.759 38.487 -0.063 0.000 1.032 1034 N HN 0.392 nan 8.380 nan 0.000 0.431 1035 G N -1.065 107.680 108.800 -0.091 0.000 4.109 1035 G HA2 0.123 4.083 3.960 -0.001 0.000 0.191 1035 G HA3 0.123 4.083 3.960 -0.001 0.000 0.191 1035 G C -0.167 174.638 174.900 -0.158 0.000 1.163 1035 G CA 0.095 45.127 45.100 -0.114 0.000 0.953 1035 G HN 0.391 nan 8.290 nan 0.000 0.502 1036 I N 3.562 124.023 120.570 -0.183 0.000 2.836 1036 I HA 0.368 4.537 4.170 -0.001 0.000 0.285 1036 I C 1.072 177.079 176.117 -0.183 0.000 1.174 1036 I CA -1.329 59.821 61.300 -0.249 0.000 1.405 1036 I CB 0.540 38.356 38.000 -0.307 0.000 1.385 1036 I HN 0.379 nan 8.210 nan 0.000 0.594 1037 I N 4.288 124.762 120.570 -0.160 0.000 2.938 1037 I HA 0.154 4.323 4.170 -0.001 0.000 0.285 1037 I C -0.049 176.169 176.117 0.168 0.000 1.182 1037 I CA -0.458 60.812 61.300 -0.050 0.000 1.388 1037 I CB 0.143 38.238 38.000 0.157 0.000 1.390 1037 I HN 0.426 nan 8.210 nan 0.000 0.600 1038 H N 4.490 123.726 119.070 0.278 0.000 2.815 1038 H HA 0.324 4.879 4.556 -0.001 0.000 0.350 1038 H C -0.202 175.341 175.328 0.359 0.000 1.080 1038 H CA 0.224 56.406 56.048 0.223 0.000 1.433 1038 H CB 0.200 30.015 29.762 0.088 0.000 1.432 1038 H HN 0.722 nan 8.280 nan 0.000 0.592 1039 H N 0.314 119.566 119.070 0.304 0.000 3.037 1039 H HA 0.281 4.836 4.556 -0.001 0.000 0.355 1039 H C -1.215 174.190 175.328 0.128 0.000 1.263 1039 H CA -0.905 55.292 56.048 0.249 0.000 1.129 1039 H CB 0.373 30.276 29.762 0.235 0.000 1.861 1039 H HN 0.225 nan 8.280 nan 0.000 0.546 1040 F N 0.951 120.935 119.950 0.057 0.000 2.382 1040 F HA 0.272 4.799 4.527 -0.001 0.000 0.331 1040 F C 1.718 177.581 175.800 0.105 0.000 1.121 1040 F CA -0.309 57.741 58.000 0.084 0.000 1.183 1040 F CB 1.228 40.367 39.000 0.232 0.000 1.207 1040 F HN 0.532 nan 8.300 nan 0.000 0.555 1041 K N -0.414 120.165 120.400 0.299 0.000 2.242 1041 K HA 0.043 4.362 4.320 -0.001 0.000 0.200 1041 K C 1.226 178.012 176.600 0.310 0.000 1.050 1041 K CA 1.232 57.672 56.287 0.255 0.000 0.981 1041 K CB 0.245 32.769 32.500 0.041 0.000 0.795 1041 K HN 0.821 nan 8.250 nan 0.000 0.477 1042 T N -3.795 110.916 114.554 0.262 0.000 3.151 1042 T HA 0.158 4.508 4.350 -0.001 0.000 0.257 1042 T C 1.607 176.171 174.700 -0.225 0.000 0.872 1042 T CA -0.364 61.696 62.100 -0.067 0.000 0.873 1042 T CB -0.245 68.575 68.868 -0.082 0.000 1.272 1042 T HN -0.141 nan 8.240 nan 0.000 0.543 1043 M N 2.407 122.095 119.600 0.146 0.000 2.358 1043 M HA -0.002 4.478 4.480 -0.001 0.000 0.264 1043 M C 2.218 178.718 176.300 0.333 0.000 1.064 1043 M CA 1.587 57.076 55.300 0.314 0.000 1.093 1043 M CB -0.464 32.335 32.600 0.331 0.000 1.401 1043 M HN 0.509 nan 8.290 nan 0.000 0.440 1044 H N -0.461 118.671 119.070 0.103 0.000 2.545 1044 H HA -0.011 4.545 4.556 -0.001 0.000 0.282 1044 H C 1.234 176.460 175.328 -0.169 0.000 1.020 1044 H CA 0.765 56.790 56.048 -0.038 0.000 1.243 1044 H CB -0.524 29.206 29.762 -0.053 0.000 1.377 1044 H HN 0.421 nan 8.280 nan 0.000 0.581 1045 R N -0.080 119.914 120.500 -0.845 0.000 2.310 1045 R HA 0.110 4.449 4.340 -0.001 0.000 0.202 1045 R C -0.232 175.722 176.300 -0.577 0.000 0.933 1045 R CA -0.172 55.212 56.100 -1.194 0.000 1.054 1045 R CB 0.120 29.609 30.300 -1.350 0.000 0.985 1045 R HN 0.315 nan 8.270 nan 0.000 0.489 1046 Y N 0.353 120.559 120.300 -0.157 0.000 2.301 1046 Y HA 0.139 4.688 4.550 -0.001 0.000 0.325 1046 Y C 0.628 176.539 175.900 0.017 0.000 1.203 1046 Y CA 0.021 58.115 58.100 -0.011 0.000 1.255 1046 Y CB 1.659 40.206 38.460 0.144 0.000 1.232 1046 Y HN -0.206 nan 8.280 nan 0.000 0.501 1047 T N 4.414 119.090 114.554 0.202 0.000 2.952 1047 T HA 0.415 4.764 4.350 -0.001 0.000 0.305 1047 T C -1.554 173.118 174.700 -0.046 0.000 1.064 1047 T CA -0.702 61.422 62.100 0.040 0.000 1.008 1047 T CB 1.231 70.130 68.868 0.052 0.000 1.078 1047 T HN 0.446 nan 8.240 nan 0.000 0.459 1048 L N 1.372 122.483 121.223 -0.188 0.000 2.333 1048 L HA 0.913 5.252 4.340 -0.001 0.000 0.269 1048 L C -0.637 176.104 176.870 -0.215 0.000 1.010 1048 L CA -0.344 54.404 54.840 -0.153 0.000 0.818 1048 L CB 1.615 43.602 42.059 -0.120 0.000 1.306 1048 L HN 0.619 nan 8.230 nan 0.000 0.430 1049 E N 2.608 122.732 120.200 -0.127 0.000 2.293 1049 E HA 0.434 4.784 4.350 -0.001 0.000 0.270 1049 E C -1.038 175.510 176.600 -0.087 0.000 0.879 1049 E CA -1.118 55.206 56.400 -0.126 0.000 0.756 1049 E CB 2.047 31.694 29.700 -0.088 0.000 1.208 1049 E HN 0.558 nan 8.360 nan 0.000 0.428 1050 M N 2.227 121.745 119.600 -0.136 0.000 2.240 1050 M HA 0.262 4.741 4.480 -0.001 0.000 0.333 1050 M C -0.353 175.866 176.300 -0.135 0.000 1.110 1050 M CA -0.310 54.862 55.300 -0.213 0.000 1.173 1050 M CB -0.084 32.313 32.600 -0.338 0.000 1.458 1050 M HN 0.454 nan 8.290 nan 0.000 0.458 1051 F N 0.156 120.098 119.950 -0.013 0.000 2.380 1051 F HA 0.592 5.119 4.527 -0.001 0.000 0.325 1051 F C 0.240 176.077 175.800 0.062 0.000 1.136 1051 F CA -1.219 56.773 58.000 -0.012 0.000 1.171 1051 F CB 0.112 39.134 39.000 0.036 0.000 1.230 1051 F HN 0.397 nan 8.300 nan 0.000 0.554 1052 R N 0.697 121.338 120.500 0.235 0.000 2.316 1052 R HA 0.226 4.566 4.340 -0.001 0.000 0.314 1052 R C 0.885 177.421 176.300 0.392 0.000 1.069 1052 R CA 0.487 56.704 56.100 0.195 0.000 0.959 1052 R CB 0.635 31.000 30.300 0.109 0.000 0.987 1052 R HN 0.929 nan 8.270 nan 0.000 0.446 1053 T N -1.787 112.956 114.554 0.315 0.000 3.040 1053 T HA 0.000 4.350 4.350 -0.001 0.000 0.250 1053 T C 1.399 176.288 174.700 0.314 0.000 1.058 1053 T CA -0.017 62.331 62.100 0.414 0.000 0.988 1053 T CB -0.067 68.832 68.868 0.053 0.000 0.993 1053 T HN 0.510 nan 8.240 nan 0.000 0.519 1054 C N 2.274 121.689 119.300 0.192 0.000 2.514 1054 C HA 0.190 4.649 4.460 -0.001 0.000 0.289 1054 C C 2.008 177.048 174.990 0.083 0.000 1.458 1054 C CA 0.185 59.278 59.018 0.126 0.000 1.669 1054 C CB -1.598 26.197 27.740 0.092 0.000 1.613 1054 C HN 0.541 nan 8.230 nan 0.000 0.594 1055 Q N -1.219 118.621 119.800 0.066 0.000 2.219 1055 Q HA 0.288 4.628 4.340 -0.001 0.000 0.209 1055 Q C -0.345 175.471 176.000 -0.307 0.000 0.854 1055 Q CA 0.309 56.046 55.803 -0.110 0.000 0.960 1055 Q CB 0.509 29.146 28.738 -0.167 0.000 1.116 1055 Q HN 0.584 nan 8.270 nan 0.000 0.500 1056 F N -0.158 119.728 119.950 -0.107 0.000 2.523 1056 F HA 0.265 4.792 4.527 -0.001 0.000 0.329 1056 F C 0.757 176.502 175.800 -0.092 0.000 1.061 1056 F CA -1.283 56.531 58.000 -0.310 0.000 0.967 1056 F CB 0.827 39.550 39.000 -0.461 0.000 1.218 1056 F HN -0.081 nan 8.300 nan 0.000 0.480 1057 C N 3.804 123.255 119.300 0.251 0.000 2.665 1057 C HA 0.126 4.585 4.460 -0.001 0.000 0.416 1057 C C -1.291 173.844 174.990 0.241 0.000 1.305 1057 C CA -0.989 58.218 59.018 0.314 0.000 1.903 1057 C CB 0.578 28.614 27.740 0.493 0.000 2.704 1057 C HN 0.698 nan 8.230 nan 0.000 0.629 1058 P HA -0.159 nan 4.420 nan 0.000 0.214 1058 P C 1.703 179.075 177.300 0.121 0.000 1.163 1058 P CA 2.042 65.224 63.100 0.137 0.000 0.889 1058 P CB -0.127 31.649 31.700 0.127 0.000 0.790 1059 Q N -2.291 117.623 119.800 0.189 0.000 2.197 1059 Q HA -0.210 4.130 4.340 -0.001 0.000 0.207 1059 Q C 2.002 177.991 176.000 -0.019 0.000 0.984 1059 Q CA 1.352 57.261 55.803 0.177 0.000 0.869 1059 Q CB -0.552 28.432 28.738 0.410 0.000 0.906 1059 Q HN 0.271 nan 8.270 nan 0.000 0.426 1060 F N 0.496 120.294 119.950 -0.253 0.000 2.219 1060 F HA -0.021 4.505 4.527 -0.001 0.000 0.294 1060 F C 2.477 178.013 175.800 -0.440 0.000 1.086 1060 F CA 0.757 58.418 58.000 -0.565 0.000 1.330 1060 F CB 0.058 38.703 39.000 -0.591 0.000 1.047 1060 F HN -0.149 nan 8.300 nan 0.000 0.495 1061 R N 0.806 121.249 120.500 -0.096 0.000 2.103 1061 R HA -0.270 4.070 4.340 -0.001 0.000 0.242 1061 R C 2.249 178.310 176.300 -0.399 0.000 1.142 1061 R CA 2.176 58.133 56.100 -0.239 0.000 0.960 1061 R CB -0.615 29.633 30.300 -0.088 0.000 0.858 1061 R HN 0.510 nan 8.270 nan 0.000 0.439 1062 E N 0.315 120.386 120.200 -0.215 0.000 2.106 1062 E HA -0.185 4.164 4.350 -0.001 0.000 0.192 1062 E C 1.990 178.467 176.600 -0.205 0.000 0.984 1062 E CA 1.325 57.648 56.400 -0.128 0.000 0.806 1062 E CB -0.125 29.546 29.700 -0.047 0.000 0.750 1062 E HN 0.484 nan 8.360 nan 0.000 0.458 1063 I N 0.960 121.306 120.570 -0.375 0.000 2.226 1063 I HA -0.280 3.890 4.170 -0.001 0.000 0.245 1063 I C 2.325 178.216 176.117 -0.377 0.000 1.100 1063 I CA 0.992 62.031 61.300 -0.436 0.000 1.374 1063 I CB -0.183 37.359 38.000 -0.763 0.000 1.057 1063 I HN 0.200 nan 8.210 nan 0.000 0.413 1064 I N -0.147 120.149 120.570 -0.458 0.000 2.163 1064 I HA -0.293 3.876 4.170 -0.001 0.000 0.240 1064 I C 2.469 178.511 176.117 -0.125 0.000 1.081 1064 I CA 1.619 62.753 61.300 -0.277 0.000 1.353 1064 I CB -0.824 36.987 38.000 -0.315 0.000 1.054 1064 I HN 0.233 nan 8.210 nan 0.000 0.407 1065 H N 0.527 119.510 119.070 -0.146 0.000 2.352 1065 H HA -0.222 4.333 4.556 -0.001 0.000 0.299 1065 H C 2.211 177.482 175.328 -0.095 0.000 1.097 1065 H CA 1.296 57.274 56.048 -0.117 0.000 1.311 1065 H CB 0.042 29.747 29.762 -0.094 0.000 1.377 1065 H HN 0.097 nan 8.280 nan 0.000 0.504 1066 K N 0.652 121.072 120.400 0.033 0.000 2.097 1066 K HA -0.089 4.231 4.320 -0.001 0.000 0.206 1066 K C 2.182 178.776 176.600 -0.009 0.000 1.049 1066 K CA 1.005 57.290 56.287 -0.003 0.000 0.933 1066 K CB -0.092 32.389 32.500 -0.033 0.000 0.717 1066 K HN 0.273 nan 8.250 nan 0.000 0.442 1067 A N 0.082 122.893 122.820 -0.015 0.000 1.840 1067 A HA -0.041 4.279 4.320 -0.001 0.000 0.214 1067 A C 2.097 179.696 177.584 0.025 0.000 1.198 1067 A CA 1.266 53.311 52.037 0.014 0.000 0.608 1067 A CB -0.568 18.460 19.000 0.048 0.000 0.839 1067 A HN 0.243 nan 8.150 nan 0.000 0.443 1068 L N -0.513 120.706 121.223 -0.007 0.000 2.162 1068 L HA 0.178 4.517 4.340 -0.001 0.000 0.205 1068 L C 0.432 177.275 176.870 -0.046 0.000 1.086 1068 L CA 0.143 54.950 54.840 -0.054 0.000 0.778 1068 L CB -0.182 41.763 42.059 -0.189 0.000 0.928 1068 L HN 0.251 nan 8.230 nan 0.000 0.446 1069 I N 0.263 120.808 120.570 -0.040 0.000 2.472 1069 I HA 0.001 4.171 4.170 -0.001 0.000 0.290 1069 I C 0.123 176.222 176.117 -0.030 0.000 1.016 1069 I CA -0.156 61.114 61.300 -0.050 0.000 1.348 1069 I CB 0.909 38.855 38.000 -0.091 0.000 1.417 1069 I HN -0.035 nan 8.210 nan 0.000 0.521 1070 D N 5.983 126.371 120.400 -0.020 0.000 2.483 1070 D HA 0.089 4.729 4.640 -0.001 0.000 0.220 1070 D C 1.073 177.358 176.300 -0.025 0.000 1.173 1070 D CA -0.222 53.774 54.000 -0.006 0.000 0.964 1070 D CB 0.600 41.419 40.800 0.032 0.000 1.046 1070 D HN 0.345 nan 8.370 nan 0.000 0.517 1071 R N 1.957 122.436 120.500 -0.034 0.000 2.105 1071 R HA -0.113 4.227 4.340 -0.001 0.000 0.239 1071 R C 1.790 178.071 176.300 -0.033 0.000 1.135 1071 R CA 0.901 56.976 56.100 -0.042 0.000 0.967 1071 R CB -0.349 29.930 30.300 -0.035 0.000 0.861 1071 R HN 0.415 nan 8.270 nan 0.000 0.442 1072 N N 0.774 119.457 118.700 -0.029 0.000 2.013 1072 N HA -0.148 4.591 4.740 -0.001 0.000 0.195 1072 N C 1.919 177.415 175.510 -0.023 0.000 1.051 1072 N CA 1.732 54.765 53.050 -0.028 0.000 0.851 1072 N CB -0.305 38.159 38.487 -0.038 0.000 1.044 1072 N HN 0.208 nan 8.380 nan 0.000 0.422 1073 I N 1.541 122.101 120.570 -0.016 0.000 2.226 1073 I HA -0.241 3.928 4.170 -0.001 0.000 0.245 1073 I C 2.675 178.787 176.117 -0.007 0.000 1.100 1073 I CA 0.984 62.279 61.300 -0.009 0.000 1.374 1073 I CB -0.311 37.698 38.000 0.016 0.000 1.057 1073 I HN 0.154 nan 8.210 nan 0.000 0.413 1074 Q N 0.821 120.612 119.800 -0.016 0.000 2.002 1074 Q HA -0.239 4.100 4.340 -0.001 0.000 0.204 1074 Q C 2.519 178.509 176.000 -0.017 0.000 0.988 1074 Q CA 2.212 58.000 55.803 -0.025 0.000 0.843 1074 Q CB -0.358 28.347 28.738 -0.055 0.000 0.908 1074 Q HN 0.585 nan 8.270 nan 0.000 0.420 1075 A N 0.529 123.337 122.820 -0.020 0.000 1.883 1075 A HA -0.207 4.113 4.320 -0.001 0.000 0.217 1075 A C 2.340 179.925 177.584 0.002 0.000 1.186 1075 A CA 2.285 54.316 52.037 -0.011 0.000 0.624 1075 A CB -1.098 17.894 19.000 -0.014 0.000 0.822 1075 A HN 0.465 nan 8.150 nan 0.000 0.444 1076 T N 0.718 115.271 114.554 -0.001 0.000 2.580 1076 T HA -0.187 4.162 4.350 -0.001 0.000 0.265 1076 T C 1.824 176.537 174.700 0.023 0.000 1.063 1076 T CA 1.665 63.769 62.100 0.006 0.000 1.170 1076 T CB -0.538 68.326 68.868 -0.006 0.000 0.863 1076 T HN 0.345 nan 8.240 nan 0.000 0.418 1077 L N 0.425 121.665 121.223 0.027 0.000 2.141 1077 L HA -0.075 4.265 4.340 -0.001 0.000 0.209 1077 L C 2.783 179.698 176.870 0.075 0.000 1.094 1077 L CA 1.349 56.221 54.840 0.054 0.000 0.763 1077 L CB -0.501 41.590 42.059 0.054 0.000 0.908 1077 L HN 0.389 nan 8.230 nan 0.000 0.437 1078 E N -0.556 119.676 120.200 0.053 0.000 2.076 1078 E HA -0.126 4.224 4.350 -0.001 0.000 0.190 1078 E C 2.290 178.932 176.600 0.070 0.000 0.979 1078 E CA 1.074 57.513 56.400 0.064 0.000 0.807 1078 E CB 0.124 29.842 29.700 0.029 0.000 0.761 1078 E HN 0.317 nan 8.360 nan 0.000 0.454 1079 S N 1.231 116.959 115.700 0.047 0.000 2.400 1079 S HA -0.195 4.274 4.470 -0.001 0.000 0.232 1079 S C 1.690 176.319 174.600 0.049 0.000 1.025 1079 S CA 1.303 59.527 58.200 0.041 0.000 0.993 1079 S CB -0.193 63.023 63.200 0.026 0.000 0.808 1079 S HN 0.379 nan 8.310 nan 0.000 0.478 1080 Q N 0.583 120.417 119.800 0.058 0.000 2.212 1080 Q HA 0.270 4.609 4.340 -0.001 0.000 0.213 1080 Q C -0.323 175.722 176.000 0.075 0.000 0.874 1080 Q CA -0.192 55.645 55.803 0.057 0.000 0.965 1080 Q CB -0.121 28.648 28.738 0.052 0.000 1.074 1080 Q HN 0.021 nan 8.270 nan 0.000 0.473 1081 K N 0.363 120.825 120.400 0.103 0.000 3.020 1081 K HA -0.227 4.093 4.320 -0.001 0.000 0.266 1081 K C 0.375 177.127 176.600 0.253 0.000 1.067 1081 K CA 1.207 57.588 56.287 0.156 0.000 0.780 1081 K CB -0.949 31.575 32.500 0.040 0.000 1.220 1081 K HN 0.309 nan 8.250 nan 0.000 0.483 1082 K N 0.414 120.971 120.400 0.262 0.000 2.361 1082 K HA 0.156 4.476 4.320 -0.001 0.000 0.194 1082 K C 0.292 177.117 176.600 0.375 0.000 1.032 1082 K CA 0.145 56.623 56.287 0.318 0.000 1.048 1082 K CB 0.355 32.964 32.500 0.180 0.000 0.842 1082 K HN 0.227 nan 8.250 nan 0.000 0.526 1083 L N -0.040 121.353 121.223 0.283 0.000 2.401 1083 L HA 0.406 4.745 4.340 -0.001 0.000 0.266 1083 L C -0.890 176.004 176.870 0.040 0.000 0.991 1083 L CA -0.134 54.773 54.840 0.110 0.000 0.818 1083 L CB 1.701 43.797 42.059 0.061 0.000 1.321 1083 L HN 0.184 nan 8.230 nan 0.000 0.413 1084 N N 3.270 121.893 118.700 -0.128 0.000 2.678 1084 N HA -0.253 4.486 4.740 -0.001 0.000 0.249 1084 N C 0.699 176.148 175.510 -0.102 0.000 1.119 1084 N CA 1.599 54.554 53.050 -0.159 0.000 0.718 1084 N CB -0.569 37.874 38.487 -0.073 0.000 1.060 1084 N HN 0.957 nan 8.380 nan 0.000 0.552 1085 W N -1.433 119.856 121.300 -0.018 0.000 2.476 1085 W HA 0.157 4.816 4.660 -0.001 0.000 0.281 1085 W C 1.042 177.533 176.519 -0.047 0.000 1.230 1085 W CA -0.069 57.261 57.345 -0.025 0.000 1.287 1085 W CB -0.874 28.584 29.460 -0.003 0.000 1.108 1085 W HN 0.207 nan 8.180 nan 0.000 0.567 1086 C N 4.914 123.877 119.300 -0.563 0.000 2.627 1086 C HA 0.200 4.660 4.460 -0.001 0.000 0.404 1086 C C 2.101 176.955 174.990 -0.226 0.000 1.340 1086 C CA -0.051 58.679 59.018 -0.480 0.000 1.758 1086 C CB -0.274 26.847 27.740 -1.033 0.000 2.501 1086 C HN 0.405 nan 8.230 nan 0.000 0.588 1087 R N 2.452 122.898 120.500 -0.089 0.000 2.297 1087 R HA 0.036 4.376 4.340 -0.001 0.000 0.197 1087 R C 1.349 177.601 176.300 -0.080 0.000 0.943 1087 R CA 0.766 56.825 56.100 -0.069 0.000 1.038 1087 R CB 0.161 30.442 30.300 -0.031 0.000 0.957 1087 R HN 0.820 nan 8.270 nan 0.000 0.484 1088 E N 0.310 120.449 120.200 -0.102 0.000 2.472 1088 E HA 0.015 4.364 4.350 -0.001 0.000 0.196 1088 E C 0.852 177.390 176.600 -0.104 0.000 1.033 1088 E CA 0.169 56.517 56.400 -0.087 0.000 0.886 1088 E CB 0.399 30.053 29.700 -0.075 0.000 0.944 1088 E HN 0.178 nan 8.360 nan 0.000 0.492 1089 V N -1.428 118.398 119.914 -0.147 0.000 3.019 1089 V HA 0.524 4.643 4.120 -0.001 0.000 0.317 1089 V C 0.220 176.239 176.094 -0.125 0.000 1.094 1089 V CA -1.393 60.822 62.300 -0.142 0.000 1.000 1089 V CB 1.852 33.559 31.823 -0.192 0.000 1.060 1089 V HN -0.166 nan 8.190 nan 0.000 0.443 1090 R N 0.946 121.388 120.500 -0.096 0.000 2.738 1090 R HA 0.305 4.645 4.340 -0.001 0.000 0.268 1090 R C -0.076 176.167 176.300 -0.094 0.000 1.062 1090 R CA -0.346 55.706 56.100 -0.079 0.000 1.158 1090 R CB 0.452 30.718 30.300 -0.056 0.000 1.046 1090 R HN 0.671 nan 8.270 nan 0.000 0.493 1091 K N 2.099 122.452 120.400 -0.080 0.000 2.185 1091 K HA 0.264 4.584 4.320 -0.001 0.000 0.271 1091 K C -0.179 176.377 176.600 -0.074 0.000 1.013 1091 K CA -0.223 56.013 56.287 -0.084 0.000 0.943 1091 K CB 0.732 33.189 32.500 -0.072 0.000 0.998 1091 K HN 0.299 nan 8.250 nan 0.000 0.468 1092 L N 2.205 123.385 121.223 -0.072 0.000 2.331 1092 L HA 0.536 4.875 4.340 -0.001 0.000 0.275 1092 L C -0.379 176.456 176.870 -0.059 0.000 1.022 1092 L CA -1.081 53.729 54.840 -0.050 0.000 0.812 1092 L CB 1.748 43.792 42.059 -0.024 0.000 1.257 1092 L HN 0.302 nan 8.230 nan 0.000 0.435 1093 V N 1.754 121.630 119.914 -0.063 0.000 2.735 1093 V HA 0.741 4.861 4.120 -0.001 0.000 0.310 1093 V C -0.316 175.745 176.094 -0.054 0.000 1.061 1093 V CA -0.458 61.792 62.300 -0.082 0.000 0.913 1093 V CB 2.035 33.782 31.823 -0.127 0.000 1.005 1093 V HN 0.856 nan 8.190 nan 0.000 0.428 1094 A N 7.146 129.938 122.820 -0.047 0.000 2.269 1094 A HA 0.715 5.035 4.320 -0.001 0.000 0.302 1094 A C -0.561 177.010 177.584 -0.021 0.000 1.266 1094 A CA -0.427 51.602 52.037 -0.013 0.000 0.894 1094 A CB 0.080 19.081 19.000 0.003 0.000 1.147 1094 A HN 0.837 nan 8.150 nan 0.000 0.537 1095 L N 2.767 123.986 121.223 -0.006 0.000 2.312 1095 L HA 0.271 4.610 4.340 -0.001 0.000 0.281 1095 L C 0.504 177.397 176.870 0.038 0.000 1.070 1095 L CA -0.606 54.229 54.840 -0.008 0.000 0.805 1095 L CB 1.137 43.186 42.059 -0.017 0.000 1.174 1095 L HN 0.693 nan 8.230 nan 0.000 0.434 1096 K N 1.440 121.862 120.400 0.038 0.000 2.527 1096 K HA 0.125 4.444 4.320 -0.001 0.000 0.278 1096 K C -0.009 176.648 176.600 0.095 0.000 0.981 1096 K CA 0.405 56.735 56.287 0.071 0.000 1.009 1096 K CB 0.493 33.020 32.500 0.046 0.000 0.895 1096 K HN 0.548 nan 8.250 nan 0.000 0.493 1097 T N 2.044 116.697 114.554 0.165 0.000 3.032 1097 T HA 0.108 4.458 4.350 -0.001 0.000 0.312 1097 T C -0.750 174.055 174.700 0.175 0.000 1.078 1097 T CA -0.943 61.237 62.100 0.132 0.000 1.028 1097 T CB 0.823 69.765 68.868 0.124 0.000 1.091 1097 T HN 0.508 nan 8.240 nan 0.000 0.457 1098 N N 2.498 121.165 118.700 -0.055 0.000 2.365 1098 N HA 0.082 4.822 4.740 -0.001 0.000 0.265 1098 N C 0.760 176.361 175.510 0.151 0.000 1.288 1098 N CA 0.654 53.663 53.050 -0.068 0.000 0.869 1098 N CB 0.820 39.105 38.487 -0.337 0.000 1.071 1098 N HN 0.841 nan 8.380 nan 0.000 0.480 1099 G N 1.937 110.840 108.800 0.172 0.000 3.939 1099 G HA2 -0.012 3.948 3.960 -0.001 0.000 0.268 1099 G HA3 -0.012 3.948 3.960 -0.001 0.000 0.268 1099 G C 0.508 175.523 174.900 0.192 0.000 1.172 1099 G CA -0.463 44.796 45.100 0.265 0.000 1.614 1099 G HN 0.629 nan 8.290 nan 0.000 0.639 1100 D N -0.365 120.169 120.400 0.223 0.000 2.336 1100 D HA 0.190 4.830 4.640 -0.001 0.000 0.228 1100 D C 1.580 178.057 176.300 0.295 0.000 1.120 1100 D CA -0.075 54.066 54.000 0.235 0.000 0.839 1100 D CB -0.093 40.877 40.800 0.282 0.000 0.932 1100 D HN 0.467 nan 8.370 nan 0.000 0.509 1101 G N 0.959 109.918 108.800 0.265 0.000 2.195 1101 G HA2 -0.338 3.622 3.960 -0.001 0.000 0.246 1101 G HA3 -0.338 3.622 3.960 -0.001 0.000 0.246 1101 G C 0.685 175.699 174.900 0.189 0.000 0.984 1101 G CA 0.170 45.417 45.100 0.244 0.000 0.633 1101 G HN 0.521 nan 8.290 nan 0.000 0.525 1102 N N 0.144 118.936 118.700 0.152 0.000 2.282 1102 N HA 0.199 4.939 4.740 -0.001 0.000 0.240 1102 N C 1.979 177.513 175.510 0.040 0.000 1.182 1102 N CA 0.979 53.983 53.050 -0.076 0.000 0.874 1102 N CB -0.619 37.609 38.487 -0.431 0.000 1.126 1102 N HN 0.716 nan 8.380 nan 0.000 0.516 1103 C N -1.164 118.278 119.300 0.238 0.000 2.437 1103 C HA 0.076 4.536 4.460 -0.001 0.000 0.283 1103 C C 2.316 177.371 174.990 0.109 0.000 1.424 1103 C CA -0.132 59.041 59.018 0.258 0.000 1.782 1103 C CB -1.564 26.306 27.740 0.217 0.000 1.833 1103 C HN 0.475 nan 8.230 nan 0.000 0.532 1104 L N 0.849 122.069 121.223 -0.005 0.000 2.056 1104 L HA 0.009 4.348 4.340 -0.001 0.000 0.207 1104 L C 2.421 179.111 176.870 -0.301 0.000 1.078 1104 L CA 2.181 56.819 54.840 -0.336 0.000 0.749 1104 L CB -0.740 41.006 42.059 -0.521 0.000 0.901 1104 L HN 0.164 nan 8.230 nan 0.000 0.433 1105 M N -1.297 118.152 119.600 -0.253 0.000 2.288 1105 M HA -0.072 4.407 4.480 -0.001 0.000 0.266 1105 M C 2.365 178.535 176.300 -0.217 0.000 1.072 1105 M CA 1.236 56.378 55.300 -0.263 0.000 1.132 1105 M CB -1.609 30.814 32.600 -0.296 0.000 1.386 1105 M HN 0.347 nan 8.290 nan 0.000 0.432 1106 H N 0.316 119.331 119.070 -0.092 0.000 2.326 1106 H HA 0.065 4.620 4.556 -0.001 0.000 0.301 1106 H C 2.128 177.420 175.328 -0.060 0.000 1.081 1106 H CA 1.827 57.840 56.048 -0.057 0.000 1.334 1106 H CB -0.322 29.427 29.762 -0.021 0.000 1.385 1106 H HN 0.344 nan 8.280 nan 0.000 0.504 1107 A N 0.480 123.340 122.820 0.066 0.000 1.858 1107 A HA -0.180 4.140 4.320 -0.001 0.000 0.216 1107 A C 2.678 180.234 177.584 -0.048 0.000 1.190 1107 A CA 2.381 54.431 52.037 0.022 0.000 0.617 1107 A CB -1.034 17.988 19.000 0.037 0.000 0.827 1107 A HN 0.411 nan 8.150 nan 0.000 0.443 1108 T N -0.569 113.887 114.554 -0.164 0.000 2.708 1108 T HA -0.145 4.205 4.350 -0.001 0.000 0.266 1108 T C 2.289 176.786 174.700 -0.337 0.000 1.037 1108 T CA 1.773 63.720 62.100 -0.256 0.000 1.146 1108 T CB -0.398 68.267 68.868 -0.338 0.000 0.865 1108 T HN 0.518 nan 8.240 nan 0.000 0.435 1109 S N 0.452 115.963 115.700 -0.316 0.000 2.370 1109 S HA -0.164 4.306 4.470 -0.001 0.000 0.226 1109 S C 2.198 176.681 174.600 -0.195 0.000 1.033 1109 S CA 1.220 59.196 58.200 -0.374 0.000 1.011 1109 S CB -0.341 62.880 63.200 0.035 0.000 0.852 1109 S HN 0.460 nan 8.310 nan 0.000 0.457 1110 Q N -0.953 118.815 119.800 -0.053 0.000 2.084 1110 Q HA -0.156 4.184 4.340 -0.001 0.000 0.202 1110 Q C 1.883 177.852 176.000 -0.052 0.000 0.978 1110 Q CA 1.697 57.501 55.803 0.000 0.000 0.844 1110 Q CB -0.407 28.348 28.738 0.029 0.000 0.898 1110 Q HN 0.769 nan 8.270 nan 0.000 0.426 1111 Y N 1.124 121.323 120.300 -0.168 0.000 2.081 1111 Y HA -0.297 4.252 4.550 -0.001 0.000 0.280 1111 Y C 2.121 177.915 175.900 -0.176 0.000 1.163 1111 Y CA 2.218 60.223 58.100 -0.158 0.000 1.135 1111 Y CB -0.052 38.301 38.460 -0.178 0.000 0.970 1111 Y HN 0.077 nan 8.280 nan 0.000 0.498 1112 M N -2.770 116.709 119.600 -0.202 0.000 2.435 1112 M HA -0.063 4.417 4.480 -0.001 0.000 0.265 1112 M C 1.049 177.299 176.300 -0.084 0.000 1.104 1112 M CA 0.734 55.878 55.300 -0.260 0.000 1.140 1112 M CB -0.011 32.242 32.600 -0.578 0.000 1.372 1112 M HN 0.245 nan 8.290 nan 0.000 0.456 1113 W N -0.216 121.068 121.300 -0.027 0.000 2.904 1113 W HA 0.518 5.177 4.660 -0.001 0.000 0.265 1113 W C 1.430 177.919 176.519 -0.051 0.000 1.138 1113 W CA 0.681 57.988 57.345 -0.062 0.000 1.455 1113 W CB -0.509 28.919 29.460 -0.052 0.000 0.924 1113 W HN 0.434 nan 8.180 nan 0.000 0.619 1114 G N 0.608 109.504 108.800 0.160 0.000 2.213 1114 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.236 1114 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.236 1114 G C 0.091 175.081 174.900 0.149 0.000 0.991 1114 G CA 0.269 45.441 45.100 0.121 0.000 0.629 1114 G HN 0.345 nan 8.290 nan 0.000 0.517 1115 V N -1.793 118.223 119.914 0.169 0.000 2.850 1115 V HA 0.887 5.006 4.120 -0.001 0.000 0.315 1115 V C 0.256 176.394 176.094 0.073 0.000 1.064 1115 V CA -0.997 61.351 62.300 0.079 0.000 0.979 1115 V CB 1.792 33.669 31.823 0.089 0.000 1.039 1115 V HN 0.346 nan 8.190 nan 0.000 0.452 1116 Q N 0.633 120.405 119.800 -0.046 0.000 2.185 1116 Q HA 0.342 4.681 4.340 -0.001 0.000 0.225 1116 Q C -0.854 175.235 176.000 0.149 0.000 0.983 1116 Q CA -0.569 55.310 55.803 0.128 0.000 0.950 1116 Q CB 1.026 29.838 28.738 0.125 0.000 1.176 1116 Q HN 0.866 nan 8.270 nan 0.000 0.510 1117 D N 0.932 121.400 120.400 0.113 0.000 3.032 1117 D HA 0.036 4.676 4.640 -0.001 0.000 0.241 1117 D C 0.838 177.099 176.300 -0.065 0.000 1.196 1117 D CA 0.073 54.017 54.000 -0.093 0.000 0.927 1117 D CB -0.103 40.495 40.800 -0.336 0.000 1.129 1117 D HN 0.507 nan 8.370 nan 0.000 0.458 1118 T N -2.642 111.950 114.554 0.063 0.000 2.833 1118 T HA -0.162 4.187 4.350 -0.001 0.000 0.269 1118 T C 1.134 175.857 174.700 0.039 0.000 1.054 1118 T CA 0.776 62.923 62.100 0.078 0.000 1.135 1118 T CB 0.090 68.961 68.868 0.006 0.000 0.869 1118 T HN 0.047 nan 8.240 nan 0.000 0.466 1119 D N 1.196 121.605 120.400 0.015 0.000 2.339 1119 D HA 0.264 4.904 4.640 -0.001 0.000 0.217 1119 D C 0.994 177.291 176.300 -0.005 0.000 1.050 1119 D CA -0.060 53.949 54.000 0.014 0.000 0.856 1119 D CB -0.234 40.573 40.800 0.011 0.000 0.922 1119 D HN 0.410 nan 8.370 nan 0.000 0.518 1120 L N -0.534 120.658 121.223 -0.052 0.000 4.040 1120 L HA -0.263 4.077 4.340 -0.001 0.000 0.410 1120 L C 1.312 178.163 176.870 -0.032 0.000 1.187 1120 L CA -0.374 54.404 54.840 -0.103 0.000 0.956 1120 L CB -2.173 39.829 42.059 -0.095 0.000 2.022 1120 L HN -0.011 nan 8.230 nan 0.000 0.897 1121 V N -0.638 119.288 119.914 0.020 0.000 2.307 1121 V HA -0.249 3.871 4.120 -0.001 0.000 0.245 1121 V C 2.256 178.429 176.094 0.132 0.000 1.045 1121 V CA 2.299 64.644 62.300 0.075 0.000 1.024 1121 V CB -0.188 31.702 31.823 0.111 0.000 0.651 1121 V HN 0.476 nan 8.190 nan 0.000 0.449 1122 L N -0.346 120.973 121.223 0.159 0.000 2.056 1122 L HA -0.133 4.207 4.340 -0.001 0.000 0.207 1122 L C 2.763 179.666 176.870 0.055 0.000 1.078 1122 L CA 1.385 56.328 54.840 0.172 0.000 0.749 1122 L CB -0.502 41.623 42.059 0.110 0.000 0.901 1122 L HN 0.261 nan 8.230 nan 0.000 0.433 1123 R N 0.702 121.173 120.500 -0.048 0.000 2.127 1123 R HA -0.187 4.153 4.340 -0.001 0.000 0.238 1123 R C 2.047 178.349 176.300 0.002 0.000 1.134 1123 R CA 1.524 57.566 56.100 -0.097 0.000 0.975 1123 R CB -0.172 29.982 30.300 -0.242 0.000 0.865 1123 R HN 0.026 nan 8.270 nan 0.000 0.447 1124 K N -0.370 120.053 120.400 0.038 0.000 2.062 1124 K HA 0.181 4.500 4.320 -0.001 0.000 0.205 1124 K C 1.812 178.496 176.600 0.139 0.000 1.051 1124 K CA 1.412 57.762 56.287 0.105 0.000 0.941 1124 K CB -0.468 32.072 32.500 0.067 0.000 0.719 1124 K HN 0.218 nan 8.250 nan 0.000 0.440 1125 A N 0.715 123.607 122.820 0.120 0.000 1.908 1125 A HA -0.168 4.152 4.320 -0.001 0.000 0.218 1125 A C 2.087 179.784 177.584 0.189 0.000 1.181 1125 A CA 1.646 53.768 52.037 0.142 0.000 0.627 1125 A CB -0.709 18.409 19.000 0.196 0.000 0.818 1125 A HN 0.300 nan 8.150 nan 0.000 0.445 1126 L N -1.590 119.727 121.223 0.157 0.000 1.989 1126 L HA -0.124 4.216 4.340 -0.001 0.000 0.211 1126 L C 2.207 179.182 176.870 0.174 0.000 1.071 1126 L CA 2.511 57.430 54.840 0.131 0.000 0.749 1126 L CB -0.815 41.284 42.059 0.066 0.000 0.890 1126 L HN 0.390 nan 8.230 nan 0.000 0.431 1127 F N -0.048 119.915 119.950 0.020 0.000 2.134 1127 F HA -0.181 4.345 4.527 -0.001 0.000 0.299 1127 F C 2.495 178.331 175.800 0.061 0.000 1.097 1127 F CA 1.693 59.703 58.000 0.015 0.000 1.264 1127 F CB -0.746 38.255 39.000 0.001 0.000 1.001 1127 F HN 0.150 nan 8.300 nan 0.000 0.479 1128 S N -0.515 115.216 115.700 0.053 0.000 2.368 1128 S HA -0.193 4.277 4.470 -0.001 0.000 0.225 1128 S C 2.004 176.700 174.600 0.160 0.000 1.030 1128 S CA 1.821 60.028 58.200 0.011 0.000 0.999 1128 S CB -0.670 62.543 63.200 0.023 0.000 0.844 1128 S HN 0.480 nan 8.310 nan 0.000 0.459 1129 T N 2.716 117.421 114.554 0.252 0.000 2.708 1129 T HA 0.050 4.399 4.350 -0.001 0.000 0.266 1129 T C 1.604 176.345 174.700 0.067 0.000 1.037 1129 T CA 0.899 63.082 62.100 0.138 0.000 1.146 1129 T CB -0.366 68.602 68.868 0.166 0.000 0.865 1129 T HN 0.269 nan 8.240 nan 0.000 0.435 1130 L N 0.098 121.339 121.223 0.029 0.000 2.549 1130 L HA 0.040 4.379 4.340 -0.001 0.000 0.229 1130 L C 2.423 179.258 176.870 -0.058 0.000 1.158 1130 L CA 1.007 55.850 54.840 0.006 0.000 0.842 1130 L CB -0.215 41.804 42.059 -0.067 0.000 0.952 1130 L HN 0.185 nan 8.230 nan 0.000 0.452 1131 K N -0.265 120.045 120.400 -0.149 0.000 2.403 1131 K HA 0.091 4.410 4.320 -0.001 0.000 0.199 1131 K C 0.576 177.131 176.600 -0.074 0.000 1.199 1131 K CA 0.317 56.490 56.287 -0.190 0.000 0.924 1131 K CB 0.696 32.908 32.500 -0.479 0.000 1.137 1131 K HN 0.158 nan 8.250 nan 0.000 0.510 1132 E N 0.660 120.848 120.200 -0.019 0.000 2.609 1132 E HA 0.138 4.488 4.350 -0.001 0.000 0.208 1132 E C -0.901 175.700 176.600 0.003 0.000 1.013 1132 E CA -0.090 56.329 56.400 0.033 0.000 1.093 1132 E CB 1.476 31.240 29.700 0.107 0.000 1.129 1132 E HN -0.068 nan 8.360 nan 0.000 0.450 1133 T N -0.190 114.350 114.554 -0.024 0.000 2.841 1133 T HA 0.103 4.452 4.350 -0.001 0.000 0.296 1133 T C -1.491 173.207 174.700 -0.004 0.000 1.166 1133 T CA -0.869 61.192 62.100 -0.065 0.000 1.007 1133 T CB 1.799 70.585 68.868 -0.137 0.000 1.253 1133 T HN 0.069 nan 8.240 nan 0.000 0.511 1134 D N 1.677 122.055 120.400 -0.037 0.000 2.325 1134 D HA 0.120 4.759 4.640 -0.001 0.000 0.251 1134 D C 0.590 176.894 176.300 0.008 0.000 1.196 1134 D CA -0.049 53.929 54.000 -0.036 0.000 0.866 1134 D CB 0.985 41.722 40.800 -0.104 0.000 1.101 1134 D HN 0.657 nan 8.370 nan 0.000 0.476 1135 T N 1.179 115.784 114.554 0.084 0.000 3.215 1135 T HA 0.152 4.502 4.350 -0.001 0.000 0.271 1135 T C 1.471 176.168 174.700 -0.006 0.000 1.012 1135 T CA -0.526 61.698 62.100 0.206 0.000 0.899 1135 T CB 0.307 69.447 68.868 0.454 0.000 1.089 1135 T HN 0.351 nan 8.240 nan 0.000 0.552 1136 R N 2.405 122.851 120.500 -0.090 0.000 2.081 1136 R HA -0.115 4.224 4.340 -0.001 0.000 0.235 1136 R C 2.223 178.453 176.300 -0.116 0.000 1.131 1136 R CA 2.086 58.102 56.100 -0.139 0.000 0.960 1136 R CB -0.211 30.005 30.300 -0.140 0.000 0.856 1136 R HN 0.623 nan 8.270 nan 0.000 0.436 1137 N N -0.172 118.441 118.700 -0.146 0.000 2.142 1137 N HA -0.203 4.536 4.740 -0.001 0.000 0.186 1137 N C 1.894 177.481 175.510 0.127 0.000 1.023 1137 N CA 1.436 54.433 53.050 -0.089 0.000 0.852 1137 N CB -0.705 37.471 38.487 -0.518 0.000 0.998 1137 N HN 0.259 nan 8.380 nan 0.000 0.424 1138 F N 1.519 121.560 119.950 0.152 0.000 2.084 1138 F HA -0.014 4.512 4.527 -0.001 0.000 0.296 1138 F C 2.797 178.392 175.800 -0.343 0.000 1.111 1138 F CA 0.632 58.649 58.000 0.029 0.000 1.224 1138 F CB -0.058 39.044 39.000 0.170 0.000 0.991 1138 F HN -0.075 nan 8.300 nan 0.000 0.471 1139 K N -0.064 120.016 120.400 -0.533 0.000 2.044 1139 K HA -0.253 4.067 4.320 -0.001 0.000 0.210 1139 K C 1.902 178.281 176.600 -0.368 0.000 1.049 1139 K CA 1.889 57.559 56.287 -1.028 0.000 0.927 1139 K CB -0.462 31.425 32.500 -1.022 0.000 0.713 1139 K HN 0.174 nan 8.250 nan 0.000 0.443 1140 F N 1.982 121.740 119.950 -0.321 0.000 2.046 1140 F HA -0.206 4.320 4.527 -0.001 0.000 0.297 1140 F C 1.902 177.588 175.800 -0.190 0.000 1.123 1140 F CA 1.608 59.466 58.000 -0.237 0.000 1.199 1140 F CB -0.424 38.469 39.000 -0.178 0.000 0.972 1140 F HN -0.117 nan 8.300 nan 0.000 0.474 1141 R N -1.185 118.954 120.500 -0.603 0.000 2.159 1141 R HA -0.225 4.114 4.340 -0.001 0.000 0.237 1141 R C 2.085 178.166 176.300 -0.366 0.000 1.131 1141 R CA 1.682 57.396 56.100 -0.642 0.000 0.982 1141 R CB -1.120 28.958 30.300 -0.370 0.000 0.868 1141 R HN 0.574 nan 8.270 nan 0.000 0.453 1142 W N 2.154 123.137 121.300 -0.528 0.000 2.407 1142 W HA -0.094 4.566 4.660 -0.001 0.000 0.305 1142 W C 1.929 178.226 176.519 -0.370 0.000 1.196 1142 W CA 1.131 58.240 57.345 -0.393 0.000 1.311 1142 W CB -0.167 29.142 29.460 -0.252 0.000 1.135 1142 W HN -0.022 nan 8.180 nan 0.000 0.514 1143 Q N 0.092 119.452 119.800 -0.733 0.000 2.096 1143 Q HA -0.248 4.091 4.340 -0.001 0.000 0.204 1143 Q C 2.163 177.710 176.000 -0.755 0.000 0.982 1143 Q CA 1.915 56.938 55.803 -1.298 0.000 0.850 1143 Q CB -0.852 27.196 28.738 -1.150 0.000 0.901 1143 Q HN 0.366 nan 8.270 nan 0.000 0.422 1144 L N 1.282 122.188 121.223 -0.528 0.000 1.943 1144 L HA -0.239 4.100 4.340 -0.001 0.000 0.215 1144 L C 2.203 178.917 176.870 -0.261 0.000 1.074 1144 L CA 2.222 56.841 54.840 -0.368 0.000 0.759 1144 L CB -0.559 41.187 42.059 -0.521 0.000 0.888 1144 L HN 0.199 nan 8.230 nan 0.000 0.433 1145 E N -1.485 118.592 120.200 -0.206 0.000 2.401 1145 E HA -0.188 4.161 4.350 -0.001 0.000 0.199 1145 E C 2.094 178.604 176.600 -0.149 0.000 1.023 1145 E CA 0.816 57.124 56.400 -0.153 0.000 0.859 1145 E CB -0.028 29.591 29.700 -0.135 0.000 0.780 1145 E HN 0.607 nan 8.360 nan 0.000 0.523 1146 S N 0.017 115.566 115.700 -0.251 0.000 2.345 1146 S HA -0.055 4.414 4.470 -0.001 0.000 0.219 1146 S C 1.781 176.355 174.600 -0.043 0.000 1.031 1146 S CA 0.803 58.859 58.200 -0.240 0.000 0.984 1146 S CB -0.110 62.741 63.200 -0.581 0.000 0.874 1146 S HN 0.356 nan 8.310 nan 0.000 0.451 1147 L N 0.286 121.519 121.223 0.015 0.000 2.456 1147 L HA 0.127 4.467 4.340 -0.001 0.000 0.224 1147 L C 0.138 177.054 176.870 0.077 0.000 1.148 1147 L CA 0.257 55.196 54.840 0.165 0.000 0.825 1147 L CB -0.549 41.613 42.059 0.171 0.000 0.937 1147 L HN 0.225 nan 8.230 nan 0.000 0.450 1148 K N 0.202 120.588 120.400 -0.023 0.000 6.703 1148 K HA -0.151 4.169 4.320 -0.001 0.000 0.800 1148 K C -0.272 176.278 176.600 -0.083 0.000 2.378 1148 K CA 0.745 56.993 56.287 -0.066 0.000 1.724 1148 K CB -0.898 31.584 32.500 -0.030 0.000 2.267 1148 K HN 0.142 nan 8.250 nan 0.000 0.261 1149 S N 3.378 118.995 115.700 -0.138 0.000 2.479 1149 S HA 0.346 4.816 4.470 -0.001 0.000 0.169 1149 S C -0.849 173.627 174.600 -0.207 0.000 1.181 1149 S CA -0.592 57.524 58.200 -0.140 0.000 1.169 1149 S CB 0.118 63.252 63.200 -0.111 0.000 1.384 1149 S HN 0.425 nan 8.310 nan 0.000 0.412 1150 Q N 1.561 121.206 119.800 -0.257 0.000 3.110 1150 Q HA 0.445 4.785 4.340 -0.001 0.000 0.360 1150 Q C -0.253 175.527 176.000 -0.367 0.000 0.820 1150 Q CA -0.804 54.756 55.803 -0.405 0.000 0.845 1150 Q CB 0.879 29.221 28.738 -0.660 0.000 1.357 1150 Q HN 0.576 nan 8.270 nan 0.000 0.480 1151 E N -0.315 119.562 120.200 -0.538 0.000 2.702 1151 E HA 0.100 4.450 4.350 -0.001 0.000 0.225 1151 E C -0.674 175.822 176.600 -0.173 0.000 0.942 1151 E CA 0.060 56.289 56.400 -0.284 0.000 1.210 1151 E CB 0.654 30.258 29.700 -0.160 0.000 1.143 1151 E HN 0.417 nan 8.360 nan 0.000 0.544 1152 F N -0.246 119.659 119.950 -0.075 0.000 2.619 1152 F HA 0.555 5.082 4.527 -0.001 0.000 0.382 1152 F C -0.886 174.856 175.800 -0.097 0.000 1.466 1152 F CA -1.224 56.731 58.000 -0.075 0.000 1.137 1152 F CB 0.913 39.868 39.000 -0.076 0.000 1.205 1152 F HN -0.134 nan 8.300 nan 0.000 0.525 1153 V N 1.216 121.111 119.914 -0.030 0.000 2.795 1153 V HA 0.505 4.624 4.120 -0.001 0.000 0.272 1153 V C -0.507 175.551 176.094 -0.060 0.000 1.130 1153 V CA 0.087 62.365 62.300 -0.037 0.000 0.931 1153 V CB 0.795 32.559 31.823 -0.099 0.000 1.062 1153 V HN 0.682 nan 8.190 nan 0.000 0.476 1160 D N -1.560 118.851 120.400 0.019 0.000 3.096 1160 D HA 0.529 5.168 4.640 -0.001 0.000 0.277 1160 D C -1.116 175.152 176.300 -0.053 0.000 1.256 1160 D CA -0.579 53.397 54.000 -0.040 0.000 1.044 1160 D CB 1.902 42.642 40.800 -0.100 0.000 1.318 1160 D HN 0.360 nan 8.370 nan 0.000 0.622 1161 T N -0.055 114.454 114.554 -0.075 0.000 3.133 1161 T HA 0.501 4.851 4.350 -0.001 0.000 0.368 1161 T C -0.783 173.870 174.700 -0.080 0.000 1.190 1161 T CA -0.298 61.764 62.100 -0.063 0.000 1.282 1161 T CB 0.130 68.979 68.868 -0.031 0.000 1.042 1161 T HN 0.652 nan 8.240 nan 0.000 0.536 1162 R N 2.209 122.627 120.500 -0.137 0.000 1.234 1162 R HA -0.158 4.182 4.340 -0.001 0.000 0.419 1162 R C 0.049 176.277 176.300 -0.120 0.000 1.334 1162 R CA 1.010 57.039 56.100 -0.117 0.000 1.106 1162 R CB -1.302 28.985 30.300 -0.023 0.000 3.296 1162 R HN 0.775 nan 8.270 nan 0.000 0.499 1163 N N 1.436 120.045 118.700 -0.152 0.000 1.912 1163 N HA 0.004 4.744 4.740 -0.001 0.000 0.255 1163 N C 0.716 176.302 175.510 0.127 0.000 1.405 1163 N CA 0.405 53.432 53.050 -0.037 0.000 0.728 1163 N CB -0.611 37.822 38.487 -0.090 0.000 1.236 1163 N HN 0.430 nan 8.380 nan 0.000 0.600 1164 W N 1.607 123.007 121.300 0.168 0.000 2.286 1164 W HA -0.361 4.299 4.660 -0.001 0.000 0.341 1164 W C 1.772 178.509 176.519 0.362 0.000 1.359 1164 W CA 1.720 59.233 57.345 0.280 0.000 1.269 1164 W CB -0.848 28.736 29.460 0.208 0.000 1.123 1164 W HN 0.158 nan 8.180 nan 0.000 0.467 1165 N N -0.143 118.880 118.700 0.538 0.000 2.200 1165 N HA -0.253 4.487 4.740 -0.001 0.000 0.199 1165 N C 0.724 176.460 175.510 0.378 0.000 0.987 1165 N CA 2.382 55.672 53.050 0.399 0.000 0.908 1165 N CB -0.720 37.922 38.487 0.258 0.000 1.035 1165 N HN 0.289 nan 8.380 nan 0.000 0.481 1166 D N -0.384 120.205 120.400 0.316 0.000 2.106 1166 D HA -0.065 4.575 4.640 -0.001 0.000 0.203 1166 D C 1.708 178.167 176.300 0.266 0.000 0.977 1166 D CA 0.750 54.891 54.000 0.235 0.000 0.844 1166 D CB -0.283 40.616 40.800 0.166 0.000 1.002 1166 D HN 0.325 nan 8.370 nan 0.000 0.461 1167 E N -0.263 120.161 120.200 0.374 0.000 2.187 1167 E HA -0.221 4.129 4.350 -0.001 0.000 0.199 1167 E C 1.636 178.442 176.600 0.345 0.000 1.004 1167 E CA 0.946 57.622 56.400 0.460 0.000 0.813 1167 E CB -0.059 30.078 29.700 0.729 0.000 0.736 1167 E HN 0.484 nan 8.360 nan 0.000 0.468 1168 W N 0.994 122.395 121.300 0.169 0.000 2.443 1168 W HA -0.102 4.558 4.660 -0.001 0.000 0.296 1168 W C 0.938 177.365 176.519 -0.153 0.000 1.202 1168 W CA 1.210 58.402 57.345 -0.256 0.000 1.312 1168 W CB -0.057 29.384 29.460 -0.032 0.000 1.120 1168 W HN 0.047 nan 8.180 nan 0.000 0.536 1169 D N -0.105 120.274 120.400 -0.034 0.000 2.224 1169 D HA -0.167 4.472 4.640 -0.001 0.000 0.205 1169 D C 1.860 178.086 176.300 -0.125 0.000 0.965 1169 D CA 1.232 55.175 54.000 -0.096 0.000 0.852 1169 D CB -0.551 40.302 40.800 0.088 0.000 0.947 1169 D HN 0.309 nan 8.370 nan 0.000 0.494 1170 N N -0.087 118.569 118.700 -0.075 0.000 2.135 1170 N HA -0.092 4.648 4.740 -0.001 0.000 0.186 1170 N C 1.780 177.220 175.510 -0.117 0.000 1.027 1170 N CA 0.361 53.386 53.050 -0.042 0.000 0.849 1170 N CB -0.001 38.504 38.487 0.029 0.000 1.002 1170 N HN 0.078 nan 8.380 nan 0.000 0.425 1171 L N 0.955 122.020 121.223 -0.263 0.000 2.189 1171 L HA -0.184 4.156 4.340 -0.001 0.000 0.214 1171 L C 2.116 178.840 176.870 -0.243 0.000 1.097 1171 L CA 0.872 55.522 54.840 -0.317 0.000 0.764 1171 L CB -0.333 41.233 42.059 -0.823 0.000 0.900 1171 L HN 0.340 nan 8.230 nan 0.000 0.436 1172 I N -0.768 119.588 120.570 -0.356 0.000 2.439 1172 I HA -0.219 3.950 4.170 -0.001 0.000 0.251 1172 I C 2.342 178.506 176.117 0.078 0.000 1.139 1172 I CA 0.837 62.035 61.300 -0.169 0.000 1.438 1172 I CB -0.131 37.753 38.000 -0.194 0.000 1.085 1172 I HN 0.118 nan 8.210 nan 0.000 0.427 1173 K N 0.631 121.041 120.400 0.017 0.000 2.103 1173 K HA 0.002 4.321 4.320 -0.001 0.000 0.204 1173 K C 2.008 178.574 176.600 -0.056 0.000 1.052 1173 K CA 1.341 57.637 56.287 0.015 0.000 0.945 1173 K CB -0.256 32.247 32.500 0.005 0.000 0.722 1173 K HN 0.206 nan 8.250 nan 0.000 0.443 1174 M N -0.307 119.264 119.600 -0.048 0.000 2.213 1174 M HA -0.105 4.375 4.480 -0.001 0.000 0.263 1174 M C 1.977 178.175 176.300 -0.170 0.000 1.062 1174 M CA 1.515 56.759 55.300 -0.093 0.000 1.105 1174 M CB -0.247 32.299 32.600 -0.090 0.000 1.385 1174 M HN 0.155 nan 8.290 nan 0.000 0.417 1175 A N 0.242 122.989 122.820 -0.121 0.000 2.119 1175 A HA -0.027 4.293 4.320 -0.001 0.000 0.217 1175 A C 1.398 178.879 177.584 -0.171 0.000 1.153 1175 A CA 0.898 52.879 52.037 -0.094 0.000 0.692 1175 A CB -0.632 18.449 19.000 0.134 0.000 0.799 1175 A HN 0.534 nan 8.150 nan 0.000 0.458 1176 S N -0.642 114.810 115.700 -0.414 0.000 2.600 1176 S HA 0.240 4.709 4.470 -0.001 0.000 0.265 1176 S C 1.029 175.410 174.600 -0.366 0.000 1.325 1176 S CA 0.329 57.987 58.200 -0.902 0.000 1.002 1176 S CB 0.644 63.180 63.200 -1.107 0.000 0.921 1176 S HN 0.596 nan 8.310 nan 0.000 0.554 1177 T N -2.170 112.200 114.554 -0.306 0.000 3.160 1177 T HA 0.090 4.440 4.350 -0.001 0.000 0.257 1177 T C -0.043 174.657 174.700 0.000 0.000 1.147 1177 T CA -0.072 62.064 62.100 0.061 0.000 1.064 1177 T CB -0.674 68.243 68.868 0.082 0.000 0.949 1177 T HN 0.554 nan 8.240 nan 0.000 0.526 1178 D N 2.584 122.905 120.400 -0.133 0.000 2.378 1178 D HA 0.196 4.836 4.640 -0.001 0.000 0.238 1178 D C 0.102 176.309 176.300 -0.155 0.000 1.180 1178 D CA 0.478 54.397 54.000 -0.136 0.000 0.895 1178 D CB 0.638 41.361 40.800 -0.128 0.000 1.192 1178 D HN 0.141 nan 8.370 nan 0.000 0.438 1179 T N 2.035 116.489 114.554 -0.168 0.000 2.837 1179 T HA 0.470 4.820 4.350 -0.001 0.000 0.285 1179 T C -2.108 172.529 174.700 -0.105 0.000 0.984 1179 T CA -1.163 60.828 62.100 -0.182 0.000 1.049 1179 T CB 1.464 70.213 68.868 -0.198 0.000 0.947 1179 T HN 0.125 nan 8.240 nan 0.000 0.472 1180 P HA 0.297 nan 4.420 nan 0.000 0.274 1180 P C 0.018 177.290 177.300 -0.046 0.000 1.246 1180 P CA -0.614 62.457 63.100 -0.048 0.000 0.795 1180 P CB 0.431 32.113 31.700 -0.030 0.000 1.006 1181 M N 1.235 120.816 119.600 -0.031 0.000 3.709 1181 M HA 0.235 4.715 4.480 -0.001 0.000 0.202 1181 M C 0.318 176.604 176.300 -0.023 0.000 1.360 1181 M CA -0.438 54.846 55.300 -0.027 0.000 1.600 1181 M CB -1.576 31.013 32.600 -0.019 0.000 1.061 1181 M HN 0.601 nan 8.290 nan 0.000 0.575 1182 A N 0.706 123.509 122.820 -0.029 0.000 2.610 1182 A HA -0.245 4.075 4.320 -0.001 0.000 0.299 1182 A C 1.329 178.902 177.584 -0.019 0.000 1.487 1182 A CA 0.878 52.900 52.037 -0.026 0.000 0.743 1182 A CB -1.489 17.497 19.000 -0.023 0.000 1.070 1182 A HN 0.773 nan 8.150 nan 0.000 0.439 1183 R N -0.228 120.261 120.500 -0.017 0.000 2.235 1183 R HA 0.071 4.411 4.340 -0.001 0.000 0.213 1183 R C 1.588 177.877 176.300 -0.018 0.000 1.059 1183 R CA 1.309 57.402 56.100 -0.011 0.000 0.997 1183 R CB -0.094 30.205 30.300 -0.003 0.000 0.884 1183 R HN 0.860 nan 8.270 nan 0.000 0.462 1184 S N -1.849 113.834 115.700 -0.029 0.000 2.483 1184 S HA 0.202 4.671 4.470 -0.001 0.000 0.280 1184 S C 0.613 175.191 174.600 -0.037 0.000 1.059 1184 S CA 0.438 58.612 58.200 -0.043 0.000 1.359 1184 S CB 0.973 64.126 63.200 -0.079 0.000 1.171 1184 S HN 0.503 nan 8.310 nan 0.000 0.625 1185 G N 1.786 110.569 108.800 -0.029 0.000 2.173 1185 G HA2 -0.091 3.869 3.960 -0.001 0.000 0.174 1185 G HA3 -0.091 3.869 3.960 -0.001 0.000 0.174 1185 G C -0.589 174.300 174.900 -0.018 0.000 1.025 1185 G CA 0.072 45.157 45.100 -0.025 0.000 0.706 1185 G HN 0.412 nan 8.290 nan 0.000 0.499 1186 L N -0.110 121.104 121.223 -0.014 0.000 2.319 1186 L HA 0.533 4.873 4.340 -0.001 0.000 0.267 1186 L C 1.551 178.409 176.870 -0.020 0.000 1.011 1186 L CA -0.598 54.248 54.840 0.010 0.000 0.818 1186 L CB 1.052 43.141 42.059 0.049 0.000 1.316 1186 L HN 0.281 nan 8.230 nan 0.000 0.432 1187 Q N 0.340 120.134 119.800 -0.010 0.000 2.224 1187 Q HA -0.083 4.256 4.340 -0.001 0.000 0.203 1187 Q C -0.725 175.008 176.000 -0.445 0.000 0.970 1187 Q CA 1.563 57.262 55.803 -0.174 0.000 0.865 1187 Q CB 0.308 28.999 28.738 -0.078 0.000 0.922 1187 Q HN 0.569 nan 8.270 nan 0.000 0.445 1188 Y N -0.156 120.146 120.300 0.004 0.000 2.605 1188 Y HA 0.288 4.838 4.550 -0.001 0.000 0.343 1188 Y C -0.363 175.525 175.900 -0.020 0.000 1.036 1188 Y CA -1.379 56.709 58.100 -0.021 0.000 1.065 1188 Y CB 1.143 39.589 38.460 -0.023 0.000 1.288 1188 Y HN 0.021 nan 8.280 nan 0.000 0.481 1189 N N 0.301 119.074 118.700 0.123 0.000 2.518 1189 N HA 0.213 4.953 4.740 -0.001 0.000 0.266 1189 N C -0.863 174.683 175.510 0.061 0.000 1.196 1189 N CA -0.387 52.693 53.050 0.050 0.000 0.947 1189 N CB 0.827 39.309 38.487 -0.007 0.000 1.098 1189 N HN 0.350 nan 8.380 nan 0.000 0.450 1190 S N 1.072 116.824 115.700 0.086 0.000 2.580 1190 S HA 0.277 4.746 4.470 -0.001 0.000 0.274 1190 S C 0.310 174.933 174.600 0.039 0.000 1.329 1190 S CA -0.653 57.640 58.200 0.156 0.000 1.036 1190 S CB 0.447 63.848 63.200 0.336 0.000 0.919 1190 S HN 0.302 nan 8.310 nan 0.000 0.515 1191 L N 2.330 123.553 121.223 0.001 0.000 2.344 1191 L HA 0.590 4.929 4.340 -0.001 0.000 0.272 1191 L C 0.328 177.277 176.870 0.131 0.000 1.035 1191 L CA -0.781 53.950 54.840 -0.182 0.000 0.807 1191 L CB 1.258 43.130 42.059 -0.311 0.000 1.237 1191 L HN 0.696 nan 8.230 nan 0.000 0.442 1192 E N -0.391 120.086 120.200 0.462 0.000 2.334 1192 E HA 0.334 4.683 4.350 -0.001 0.000 0.256 1192 E C 0.121 176.895 176.600 0.290 0.000 0.958 1192 E CA -0.720 55.882 56.400 0.336 0.000 0.821 1192 E CB 0.871 30.762 29.700 0.318 0.000 1.269 1192 E HN 0.465 nan 8.360 nan 0.000 0.413 1193 E N 0.099 120.469 120.200 0.284 0.000 2.068 1193 E HA -0.262 4.088 4.350 -0.001 0.000 0.207 1193 E C 1.640 178.555 176.600 0.525 0.000 1.032 1193 E CA 1.915 58.558 56.400 0.405 0.000 0.839 1193 E CB -0.478 29.478 29.700 0.428 0.000 0.758 1193 E HN 0.580 nan 8.360 nan 0.000 0.457 1194 I N 0.778 121.606 120.570 0.430 0.000 2.248 1194 I HA -0.293 3.877 4.170 -0.001 0.000 0.248 1194 I C 1.706 177.726 176.117 -0.161 0.000 1.107 1194 I CA 1.842 63.131 61.300 -0.017 0.000 1.373 1194 I CB -0.358 37.426 38.000 -0.360 0.000 1.055 1194 I HN 0.176 nan 8.210 nan 0.000 0.418 1195 H N -0.182 118.852 119.070 -0.060 0.000 2.353 1195 H HA -0.057 4.499 4.556 -0.001 0.000 0.300 1195 H C 2.255 177.489 175.328 -0.158 0.000 1.090 1195 H CA 2.070 58.026 56.048 -0.155 0.000 1.327 1195 H CB -0.275 29.397 29.762 -0.150 0.000 1.383 1195 H HN 0.335 nan 8.280 nan 0.000 0.508 1196 I N -0.321 120.229 120.570 -0.033 0.000 2.286 1196 I HA -0.253 3.917 4.170 -0.001 0.000 0.248 1196 I C 1.999 178.043 176.117 -0.122 0.000 1.115 1196 I CA 1.128 62.264 61.300 -0.274 0.000 1.392 1196 I CB -0.322 37.246 38.000 -0.720 0.000 1.065 1196 I HN 0.189 nan 8.210 nan 0.000 0.418 1197 F N 1.609 121.585 119.950 0.042 0.000 2.102 1197 F HA -0.207 4.320 4.527 -0.001 0.000 0.298 1197 F C 2.433 178.180 175.800 -0.089 0.000 1.105 1197 F CA 1.660 59.745 58.000 0.141 0.000 1.239 1197 F CB -0.151 39.001 39.000 0.254 0.000 0.991 1197 F HN -0.257 nan 8.300 nan 0.000 0.474 1198 V N 0.624 120.379 119.914 -0.264 0.000 2.392 1198 V HA -0.307 3.813 4.120 -0.001 0.000 0.249 1198 V C 2.427 178.415 176.094 -0.177 0.000 1.059 1198 V CA 1.530 63.528 62.300 -0.502 0.000 1.051 1198 V CB -0.802 30.664 31.823 -0.595 0.000 0.658 1198 V HN 0.402 nan 8.190 nan 0.000 0.455 1199 L N 1.098 122.233 121.223 -0.146 0.000 2.017 1199 L HA -0.198 4.142 4.340 -0.001 0.000 0.208 1199 L C 2.719 179.536 176.870 -0.088 0.000 1.073 1199 L CA 2.918 57.699 54.840 -0.097 0.000 0.745 1199 L CB -1.027 40.931 42.059 -0.168 0.000 0.894 1199 L HN 0.730 nan 8.230 nan 0.000 0.432 1200 C N -0.952 118.257 119.300 -0.153 0.000 2.432 1200 C HA -0.039 4.421 4.460 -0.001 0.000 0.282 1200 C C 2.318 177.276 174.990 -0.054 0.000 1.388 1200 C CA 0.328 59.269 59.018 -0.128 0.000 1.777 1200 C CB -1.314 26.337 27.740 -0.148 0.000 1.882 1200 C HN 0.521 nan 8.230 nan 0.000 0.520 1201 N N 1.492 120.190 118.700 -0.004 0.000 2.250 1201 N HA 0.110 4.849 4.740 -0.001 0.000 0.181 1201 N C 1.730 177.517 175.510 0.462 0.000 1.017 1201 N CA 1.348 54.580 53.050 0.303 0.000 0.866 1201 N CB -0.282 38.405 38.487 0.333 0.000 0.985 1201 N HN 0.583 nan 8.380 nan 0.000 0.429 1202 I N 1.211 121.969 120.570 0.313 0.000 2.286 1202 I HA -0.206 3.963 4.170 -0.001 0.000 0.248 1202 I C 1.739 178.025 176.117 0.282 0.000 1.115 1202 I CA 0.995 62.514 61.300 0.365 0.000 1.392 1202 I CB -0.047 38.136 38.000 0.304 0.000 1.065 1202 I HN 0.051 nan 8.210 nan 0.000 0.418 1203 L N -0.099 121.192 121.223 0.113 0.000 2.529 1203 L HA 0.118 4.457 4.340 -0.001 0.000 0.223 1203 L C 0.525 177.272 176.870 -0.206 0.000 1.113 1203 L CA 0.065 54.898 54.840 -0.011 0.000 0.861 1203 L CB -0.179 41.848 42.059 -0.053 0.000 1.012 1203 L HN 0.201 nan 8.230 nan 0.000 0.461 1204 R N 0.786 121.139 120.500 -0.244 0.000 3.333 1204 R HA -0.195 4.145 4.340 -0.001 0.000 0.256 1204 R C 0.102 176.364 176.300 -0.063 0.000 1.010 1204 R CA 0.392 56.249 56.100 -0.405 0.000 0.680 1204 R CB -1.833 27.957 30.300 -0.849 0.000 1.102 1204 R HN 0.387 nan 8.270 nan 0.000 0.440 1205 R N 0.668 121.178 120.500 0.016 0.000 2.535 1205 R HA 0.316 4.656 4.340 -0.001 0.000 0.274 1205 R C -2.800 173.516 176.300 0.027 0.000 1.090 1205 R CA -1.915 54.249 56.100 0.106 0.000 0.930 1205 R CB 2.159 32.559 30.300 0.166 0.000 1.223 1205 R HN -0.145 nan 8.270 nan 0.000 0.441 1206 P HA 0.203 nan 4.420 nan 0.000 0.275 1206 P C -0.644 176.632 177.300 -0.040 0.000 1.227 1206 P CA -0.086 63.019 63.100 0.008 0.000 0.781 1206 P CB 1.159 32.881 31.700 0.037 0.000 0.906 1207 I N 3.710 124.262 120.570 -0.030 0.000 2.404 1207 I HA 0.427 4.597 4.170 -0.001 0.000 0.293 1207 I C 0.310 176.465 176.117 0.062 0.000 0.992 1207 I CA -0.928 60.306 61.300 -0.109 0.000 1.149 1207 I CB 1.584 39.415 38.000 -0.282 0.000 1.315 1207 I HN 0.142 nan 8.210 nan 0.000 0.446 1208 I N 6.563 127.134 120.570 0.002 0.000 2.410 1208 I HA 0.327 4.496 4.170 -0.001 0.000 0.286 1208 I C -0.593 175.580 176.117 0.092 0.000 1.009 1208 I CA -0.790 60.576 61.300 0.110 0.000 1.111 1208 I CB 1.988 40.019 38.000 0.051 0.000 1.262 1208 I HN 0.169 nan 8.210 nan 0.000 0.443 1209 V N 7.242 127.282 119.914 0.209 0.000 2.370 1209 V HA 0.382 4.502 4.120 -0.001 0.000 0.279 1209 V C 0.293 176.503 176.094 0.195 0.000 1.029 1209 V CA -0.424 62.001 62.300 0.208 0.000 0.870 1209 V CB 1.611 33.604 31.823 0.283 0.000 0.984 1209 V HN 0.483 nan 8.190 nan 0.000 0.451 1210 I N 5.388 126.052 120.570 0.158 0.000 2.291 1210 I HA 0.332 4.501 4.170 -0.001 0.000 0.290 1210 I C 0.592 176.798 176.117 0.148 0.000 1.050 1210 I CA 0.199 61.585 61.300 0.144 0.000 1.245 1210 I CB 1.068 39.138 38.000 0.116 0.000 1.405 1210 I HN 0.740 nan 8.210 nan 0.000 0.478 1211 S N 4.048 119.841 115.700 0.156 0.000 2.664 1211 S HA 0.370 4.840 4.470 -0.001 0.000 0.304 1211 S C -0.599 174.074 174.600 0.122 0.000 1.099 1211 S CA -0.979 57.317 58.200 0.161 0.000 1.003 1211 S CB 2.491 65.811 63.200 0.202 0.000 1.092 1211 S HN 0.577 nan 8.310 nan 0.000 0.525 1212 D N 0.443 120.902 120.400 0.098 0.000 2.312 1212 D HA 0.170 4.810 4.640 -0.001 0.000 0.252 1212 D C 0.779 177.123 176.300 0.073 0.000 1.150 1212 D CA -0.257 53.782 54.000 0.065 0.000 0.870 1212 D CB 1.035 41.848 40.800 0.021 0.000 1.153 1212 D HN 0.781 nan 8.370 nan 0.000 0.457 1213 K N 2.880 123.319 120.400 0.066 0.000 2.308 1213 K HA 0.101 4.420 4.320 -0.001 0.000 0.197 1213 K C 0.925 177.552 176.600 0.045 0.000 1.049 1213 K CA -0.325 55.998 56.287 0.059 0.000 0.991 1213 K CB 0.161 32.695 32.500 0.056 0.000 0.836 1213 K HN 0.305 nan 8.250 nan 0.000 0.500 1214 M N 2.369 121.992 119.600 0.038 0.000 2.987 1214 M HA 0.023 4.502 4.480 -0.001 0.000 0.331 1214 M C -0.310 176.006 176.300 0.027 0.000 1.766 1214 M CA 0.963 56.281 55.300 0.029 0.000 1.445 1214 M CB -0.759 31.856 32.600 0.025 0.000 1.925 1214 M HN 0.290 nan 8.290 nan 0.000 0.467 1215 L N 2.258 123.498 121.223 0.028 0.000 2.685 1215 L HA 0.218 4.557 4.340 -0.001 0.000 0.297 1215 L C 1.400 178.286 176.870 0.026 0.000 1.367 1215 L CA -0.108 54.749 54.840 0.029 0.000 0.703 1215 L CB 0.431 42.513 42.059 0.038 0.000 1.039 1215 L HN 0.573 nan 8.230 nan 0.000 0.529 1216 R N 0.408 120.920 120.500 0.021 0.000 2.237 1216 R HA -0.079 4.260 4.340 -0.001 0.000 0.219 1216 R C 1.402 177.713 176.300 0.017 0.000 1.080 1216 R CA 1.665 57.776 56.100 0.018 0.000 0.995 1216 R CB 0.274 30.582 30.300 0.013 0.000 0.875 1216 R HN 0.476 nan 8.270 nan 0.000 0.462 1217 S N -0.198 115.513 115.700 0.018 0.000 2.583 1217 S HA 0.170 4.640 4.470 -0.001 0.000 0.239 1217 S C 0.544 175.157 174.600 0.022 0.000 0.966 1217 S CA -0.674 57.536 58.200 0.017 0.000 0.973 1217 S CB -0.054 63.155 63.200 0.014 0.000 0.794 1217 S HN 0.228 nan 8.310 nan 0.000 0.463 1218 L N 1.641 122.880 121.223 0.027 0.000 2.483 1218 L HA 0.233 4.573 4.340 -0.001 0.000 0.275 1218 L C 0.033 176.923 176.870 0.033 0.000 1.220 1218 L CA 0.400 55.260 54.840 0.034 0.000 0.833 1218 L CB 0.605 42.688 42.059 0.040 0.000 1.102 1218 L HN 0.339 nan 8.230 nan 0.000 0.490 1219 E N 1.461 121.683 120.200 0.037 0.000 4.230 1219 E HA 0.050 4.399 4.350 -0.001 0.000 0.216 1219 E C -0.466 176.159 176.600 0.041 0.000 1.132 1219 E CA -0.042 56.378 56.400 0.034 0.000 1.404 1219 E CB 1.040 30.757 29.700 0.029 0.000 1.183 1219 E HN 0.420 nan 8.360 nan 0.000 0.431 1220 S N 1.171 116.900 115.700 0.047 0.000 2.582 1220 S HA 0.505 4.975 4.470 -0.001 0.000 0.249 1220 S C 0.396 175.025 174.600 0.048 0.000 1.072 1220 S CA 0.526 58.758 58.200 0.054 0.000 1.115 1220 S CB -0.259 62.979 63.200 0.065 0.000 0.790 1220 S HN 0.618 nan 8.310 nan 0.000 0.459 1227 L N 0.929 122.217 121.223 0.107 0.000 3.088 1227 L HA -0.142 4.197 4.340 -0.001 0.000 0.711 1227 L C -0.911 176.014 176.870 0.091 0.000 1.162 1227 L CA 0.410 55.313 54.840 0.105 0.000 1.304 1227 L CB -0.948 41.174 42.059 0.106 0.000 1.913 1227 L HN 0.062 nan 8.230 nan 0.000 0.917 1228 K N 2.168 122.624 120.400 0.094 0.000 2.155 1228 K HA 0.355 4.674 4.320 -0.001 0.000 0.240 1228 K C 1.022 177.712 176.600 0.150 0.000 1.193 1228 K CA 0.211 56.560 56.287 0.103 0.000 1.104 1228 K CB 0.826 33.372 32.500 0.076 0.000 1.558 1228 K HN 0.317 nan 8.250 nan 0.000 0.313 1229 V N 1.073 121.043 119.914 0.094 0.000 2.649 1229 V HA 0.022 4.141 4.120 -0.001 0.000 0.248 1229 V C 1.063 177.286 176.094 0.214 0.000 1.054 1229 V CA 1.134 63.492 62.300 0.097 0.000 1.073 1229 V CB -0.349 31.354 31.823 -0.200 0.000 0.699 1229 V HN 0.836 nan 8.190 nan 0.000 0.463 1230 G N -0.336 108.582 108.800 0.198 0.000 2.474 1230 G HA2 0.431 4.391 3.960 -0.001 0.000 0.233 1230 G HA3 0.431 4.391 3.960 -0.001 0.000 0.233 1230 G C 0.297 175.419 174.900 0.369 0.000 1.278 1230 G CA 0.727 45.971 45.100 0.241 0.000 0.861 1230 G HN 1.204 nan 8.290 nan 0.000 0.567 1231 G N -0.061 108.949 108.800 0.350 0.000 2.346 1231 G HA2 0.211 4.171 3.960 -0.001 0.000 0.294 1231 G HA3 0.211 4.171 3.960 -0.001 0.000 0.294 1231 G C -1.046 173.978 174.900 0.206 0.000 1.294 1231 G CA -0.730 44.587 45.100 0.360 0.000 0.962 1231 G HN 0.863 nan 8.290 nan 0.000 0.508 1232 I N 0.777 121.409 120.570 0.102 0.000 2.362 1232 I HA 0.420 4.589 4.170 -0.001 0.000 0.289 1232 I C -1.018 175.114 176.117 0.025 0.000 0.994 1232 I CA -0.708 60.644 61.300 0.087 0.000 1.158 1232 I CB 1.471 39.480 38.000 0.014 0.000 1.315 1232 I HN 0.383 nan 8.210 nan 0.000 0.451 1233 Y N 6.746 127.111 120.300 0.109 0.000 2.417 1233 Y HA 0.507 5.056 4.550 -0.001 0.000 0.336 1233 Y C -0.151 175.759 175.900 0.016 0.000 0.961 1233 Y CA -0.743 57.446 58.100 0.148 0.000 1.215 1233 Y CB 0.694 39.185 38.460 0.052 0.000 1.120 1233 Y HN 0.302 nan 8.280 nan 0.000 0.499 1234 L N 5.971 127.273 121.223 0.133 0.000 2.325 1234 L HA 0.454 4.793 4.340 -0.001 0.000 0.279 1234 L C -1.913 174.795 176.870 -0.270 0.000 1.054 1234 L CA -2.173 52.600 54.840 -0.111 0.000 0.804 1234 L CB 1.708 43.615 42.059 -0.255 0.000 1.200 1234 L HN 0.358 nan 8.230 nan 0.000 0.436 1235 P HA 0.029 nan 4.420 nan 0.000 0.225 1235 P C 0.765 178.104 177.300 0.065 0.000 1.768 1235 P CA -0.308 62.752 63.100 -0.067 0.000 0.943 1235 P CB 0.332 32.109 31.700 0.128 0.000 1.936 1236 L N 0.429 121.613 121.223 -0.064 0.000 2.351 1236 L HA -0.156 4.183 4.340 -0.001 0.000 0.220 1236 L C 1.832 178.924 176.870 0.369 0.000 1.127 1236 L CA 1.782 56.717 54.840 0.159 0.000 0.786 1236 L CB -1.736 40.515 42.059 0.321 0.000 0.914 1236 L HN 0.302 nan 8.230 nan 0.000 0.443 1237 H N -3.031 116.079 119.070 0.066 0.000 2.556 1237 H HA 0.079 4.634 4.556 -0.001 0.000 0.268 1237 H C -0.466 174.667 175.328 -0.326 0.000 0.996 1237 H CA -0.277 55.655 56.048 -0.193 0.000 1.157 1237 H CB -0.384 29.133 29.762 -0.408 0.000 1.355 1237 H HN 0.216 nan 8.280 nan 0.000 0.597 1238 W N 0.124 121.537 121.300 0.188 0.000 3.029 1238 W HA 0.440 5.099 4.660 -0.001 0.000 0.339 1238 W C -2.408 174.249 176.519 0.231 0.000 1.198 1238 W CA -2.421 55.010 57.345 0.143 0.000 1.148 1238 W CB 0.809 30.338 29.460 0.115 0.000 1.451 1238 W HN -0.236 nan 8.180 nan 0.000 0.564 1239 P HA 0.210 nan 4.420 nan 0.000 0.288 1239 P C 0.161 177.467 177.300 0.010 0.000 1.267 1239 P CA -0.065 63.135 63.100 0.167 0.000 0.815 1239 P CB 1.542 33.302 31.700 0.100 0.000 0.989 1240 A N 3.161 125.708 122.820 -0.454 0.000 2.139 1240 A HA -0.236 4.084 4.320 -0.001 0.000 0.221 1240 A C 2.121 179.593 177.584 -0.186 0.000 1.159 1240 A CA 1.893 53.559 52.037 -0.618 0.000 0.662 1240 A CB -1.063 17.356 19.000 -0.969 0.000 0.796 1240 A HN 0.741 nan 8.150 nan 0.000 0.463 1241 Q N -0.524 119.222 119.800 -0.091 0.000 2.187 1241 Q HA -0.065 4.275 4.340 -0.001 0.000 0.199 1241 Q C 1.146 177.166 176.000 0.033 0.000 0.957 1241 Q CA 1.421 57.213 55.803 -0.018 0.000 0.857 1241 Q CB -0.299 28.437 28.738 -0.003 0.000 0.929 1241 Q HN 0.703 nan 8.270 nan 0.000 0.453 1242 E N -0.049 120.186 120.200 0.059 0.000 2.465 1242 E HA 0.137 4.487 4.350 -0.001 0.000 0.191 1242 E C -0.347 176.258 176.600 0.008 0.000 1.053 1242 E CA -0.406 56.031 56.400 0.061 0.000 0.869 1242 E CB 0.568 30.340 29.700 0.120 0.000 0.977 1242 E HN 0.303 nan 8.360 nan 0.000 0.483 1243 C N 0.259 119.593 119.300 0.058 0.000 2.595 1243 C HA 0.356 4.815 4.460 -0.001 0.000 0.338 1243 C C -0.214 174.908 174.990 0.220 0.000 1.219 1243 C CA -1.118 57.956 59.018 0.094 0.000 1.811 1243 C CB 0.537 28.378 27.740 0.168 0.000 2.313 1243 C HN 0.270 nan 8.230 nan 0.000 0.499 1244 Y N 1.906 122.272 120.300 0.110 0.000 2.359 1244 Y HA 0.276 4.825 4.550 -0.001 0.000 0.334 1244 Y C 1.461 177.451 175.900 0.149 0.000 1.058 1244 Y CA -0.180 58.010 58.100 0.151 0.000 1.244 1244 Y CB 0.495 39.059 38.460 0.173 0.000 1.187 1244 Y HN 0.559 nan 8.280 nan 0.000 0.510 1245 R N 4.884 125.301 120.500 -0.138 0.000 2.335 1245 R HA 0.033 4.373 4.340 -0.001 0.000 0.223 1245 R C -1.119 174.900 176.300 -0.468 0.000 0.940 1245 R CA 0.173 56.125 56.100 -0.247 0.000 1.086 1245 R CB -0.174 29.963 30.300 -0.273 0.000 1.073 1245 R HN 0.477 nan 8.270 nan 0.000 0.504 1246 Y N 1.434 121.448 120.300 -0.477 0.000 2.377 1246 Y HA 0.335 4.885 4.550 -0.001 0.000 0.339 1246 Y C -1.881 173.919 175.900 -0.166 0.000 1.011 1246 Y CA -3.092 54.808 58.100 -0.332 0.000 1.093 1246 Y CB 1.356 39.547 38.460 -0.448 0.000 1.201 1246 Y HN -0.033 nan 8.280 nan 0.000 0.455 1247 P HA 0.348 nan 4.420 nan 0.000 0.278 1247 P C -0.759 176.443 177.300 -0.164 0.000 1.266 1247 P CA -0.301 62.771 63.100 -0.047 0.000 0.807 1247 P CB 1.855 33.522 31.700 -0.055 0.000 1.094 1248 I N 0.599 120.953 120.570 -0.360 0.000 2.339 1248 I HA 0.226 4.396 4.170 -0.001 0.000 0.290 1248 I C -0.172 175.513 176.117 -0.720 0.000 0.994 1248 I CA -0.991 59.760 61.300 -0.915 0.000 1.191 1248 I CB 1.748 39.369 38.000 -0.632 0.000 1.343 1248 I HN -0.013 nan 8.210 nan 0.000 0.458 1249 V N 7.635 127.021 119.914 -0.881 0.000 2.370 1249 V HA 0.452 4.571 4.120 -0.001 0.000 0.279 1249 V C 0.116 176.122 176.094 -0.146 0.000 1.029 1249 V CA -0.454 61.677 62.300 -0.281 0.000 0.870 1249 V CB 1.292 33.088 31.823 -0.045 0.000 0.984 1249 V HN 0.501 nan 8.190 nan 0.000 0.451 1250 L N 3.507 124.703 121.223 -0.045 0.000 2.319 1250 L HA 0.894 5.234 4.340 -0.001 0.000 0.267 1250 L C 0.591 177.554 176.870 0.154 0.000 1.011 1250 L CA -0.552 54.339 54.840 0.084 0.000 0.818 1250 L CB 2.244 44.374 42.059 0.118 0.000 1.316 1250 L HN 0.741 nan 8.230 nan 0.000 0.432 1251 G N -0.097 108.808 108.800 0.175 0.000 2.453 1251 G HA2 0.578 4.538 3.960 -0.001 0.000 0.323 1251 G HA3 0.578 4.538 3.960 -0.001 0.000 0.323 1251 G C -2.312 172.641 174.900 0.088 0.000 1.198 1251 G CA -0.225 44.947 45.100 0.120 0.000 0.959 1251 G HN 0.415 nan 8.290 nan 0.000 0.482 1252 Y N 1.118 121.324 120.300 -0.157 0.000 2.441 1252 Y HA 0.397 4.946 4.550 -0.001 0.000 0.334 1252 Y C -0.401 175.384 175.900 -0.192 0.000 1.061 1252 Y CA -0.849 57.027 58.100 -0.374 0.000 1.032 1252 Y CB 1.964 40.035 38.460 -0.647 0.000 1.266 1252 Y HN 0.805 nan 8.280 nan 0.000 0.441 1253 D N 0.577 120.560 120.400 -0.695 0.000 3.318 1253 D HA 0.186 4.825 4.640 -0.001 0.000 0.210 1253 D C 1.458 177.474 176.300 -0.473 0.000 1.157 1253 D CA 0.624 54.384 54.000 -0.401 0.000 1.234 1253 D CB -0.491 40.166 40.800 -0.237 0.000 1.003 1253 D HN 0.363 nan 8.370 nan 0.000 0.316 1254 S N -1.774 113.751 115.700 -0.291 0.000 2.354 1254 S HA -0.238 4.231 4.470 -0.001 0.000 0.219 1254 S C 1.020 175.517 174.600 -0.170 0.000 1.035 1254 S CA 1.597 59.711 58.200 -0.145 0.000 1.037 1254 S CB -0.621 62.544 63.200 -0.059 0.000 0.956 1254 S HN 0.660 nan 8.310 nan 0.000 0.428 1255 H N 0.430 119.276 119.070 -0.373 0.000 3.229 1255 H HA 0.349 4.905 4.556 -0.001 0.000 0.211 1255 H C -1.312 173.896 175.328 -0.200 0.000 1.364 1255 H CA -0.361 55.549 56.048 -0.230 0.000 1.270 1255 H CB -0.233 29.549 29.762 0.034 0.000 2.309 1255 H HN 0.674 nan 8.280 nan 0.000 0.520 1256 H N 0.157 118.806 119.070 -0.703 0.000 2.954 1256 H HA 0.379 4.934 4.556 -0.001 0.000 0.361 1256 H C -1.650 173.473 175.328 -0.342 0.000 1.122 1256 H CA -0.314 55.574 56.048 -0.267 0.000 1.217 1256 H CB 0.910 30.585 29.762 -0.145 0.000 1.776 1256 H HN 0.037 nan 8.280 nan 0.000 0.533 1257 F N 3.642 123.342 119.950 -0.416 0.000 2.425 1257 F HA 0.573 5.099 4.527 -0.001 0.000 0.331 1257 F C -0.317 175.210 175.800 -0.454 0.000 1.085 1257 F CA -0.544 57.325 58.000 -0.218 0.000 1.028 1257 F CB 1.845 40.797 39.000 -0.079 0.000 1.177 1257 F HN 0.360 nan 8.300 nan 0.000 0.487 1258 V N 4.498 124.437 119.914 0.041 0.000 3.012 1258 V HA 0.598 4.717 4.120 -0.001 0.000 0.307 1258 V C -2.617 173.540 176.094 0.105 0.000 1.166 1258 V CA -2.319 60.007 62.300 0.043 0.000 0.974 1258 V CB 2.894 34.754 31.823 0.062 0.000 1.040 1258 V HN 0.510 nan 8.190 nan 0.000 0.428 1259 P HA 0.358 nan 4.420 nan 0.000 0.282 1259 P C -0.977 176.407 177.300 0.140 0.000 1.249 1259 P CA -0.317 62.874 63.100 0.152 0.000 0.806 1259 P CB 1.269 33.064 31.700 0.159 0.000 0.984 1260 L N 3.120 124.460 121.223 0.196 0.000 2.504 1260 L HA 0.226 4.566 4.340 -0.001 0.000 0.249 1260 L C 0.551 177.533 176.870 0.187 0.000 1.120 1260 L CA -1.006 53.913 54.840 0.132 0.000 0.997 1260 L CB 0.884 43.001 42.059 0.096 0.000 1.349 1260 L HN 0.185 nan 8.230 nan 0.000 0.439 1261 V N -1.194 118.749 119.914 0.049 0.000 2.775 1261 V HA 0.384 4.504 4.120 -0.001 0.000 0.299 1261 V C 0.776 176.825 176.094 -0.075 0.000 1.062 1261 V CA -0.474 61.760 62.300 -0.110 0.000 1.063 1261 V CB 0.794 32.466 31.823 -0.252 0.000 0.994 1261 V HN 0.493 nan 8.190 nan 0.000 0.483 1262 T N 5.250 119.756 114.554 -0.080 0.000 2.860 1262 T HA 0.403 4.753 4.350 -0.001 0.000 0.299 1262 T C 0.022 174.671 174.700 -0.084 0.000 1.045 1262 T CA -0.480 61.585 62.100 -0.058 0.000 1.071 1262 T CB 0.681 69.530 68.868 -0.032 0.000 0.985 1262 T HN 0.498 nan 8.240 nan 0.000 0.537 1263 L N 1.972 123.152 121.223 -0.071 0.000 2.418 1263 L HA 0.329 4.668 4.340 -0.001 0.000 0.265 1263 L C 1.470 178.309 176.870 -0.053 0.000 1.143 1263 L CA 0.125 54.923 54.840 -0.070 0.000 0.809 1263 L CB 1.039 43.065 42.059 -0.056 0.000 1.124 1263 L HN 0.774 nan 8.230 nan 0.000 0.456 1264 K N 0.541 120.914 120.400 -0.044 0.000 2.076 1264 K HA -0.070 4.250 4.320 -0.001 0.000 0.204 1264 K C 0.462 177.045 176.600 -0.029 0.000 1.051 1264 K CA 1.111 57.378 56.287 -0.034 0.000 0.949 1264 K CB 0.447 32.930 32.500 -0.027 0.000 0.726 1264 K HN 0.618 nan 8.250 nan 0.000 0.443 1265 D N -0.842 119.545 120.400 -0.022 0.000 3.012 1265 D HA -0.004 4.635 4.640 -0.001 0.000 0.230 1265 D C -0.277 176.014 176.300 -0.016 0.000 1.477 1265 D CA 0.045 54.032 54.000 -0.021 0.000 1.329 1265 D CB -0.690 40.095 40.800 -0.025 0.000 0.951 1265 D HN 0.026 nan 8.370 nan 0.000 0.224 1266 S N 0.051 115.746 115.700 -0.009 0.000 2.963 1266 S HA 0.115 4.585 4.470 -0.001 0.000 0.360 1266 S C 0.769 175.361 174.600 -0.012 0.000 1.198 1266 S CA 1.301 59.497 58.200 -0.007 0.000 0.962 1266 S CB -0.652 62.549 63.200 0.002 0.000 0.628 1266 S HN 0.753 nan 8.310 nan 0.000 0.446 1267 G N 4.884 113.678 108.800 -0.011 0.000 2.954 1267 G HA2 -0.143 3.817 3.960 -0.001 0.000 0.672 1267 G HA3 -0.143 3.817 3.960 -0.001 0.000 0.672 1267 G C -2.066 172.825 174.900 -0.016 0.000 1.598 1267 G CA -0.237 44.855 45.100 -0.014 0.000 1.063 1267 G HN 0.703 nan 8.290 nan 0.000 0.584 1268 P HA 0.207 nan 4.420 nan 0.000 0.262 1268 P C 0.385 177.672 177.300 -0.021 0.000 1.304 1268 P CA 0.155 63.245 63.100 -0.016 0.000 0.859 1268 P CB 0.323 32.016 31.700 -0.013 0.000 1.310 1269 E N 0.650 120.833 120.200 -0.028 0.000 2.422 1269 E HA 0.101 4.451 4.350 -0.001 0.000 0.260 1269 E C 0.734 177.312 176.600 -0.037 0.000 1.108 1269 E CA 0.071 56.447 56.400 -0.039 0.000 0.943 1269 E CB 0.047 29.717 29.700 -0.050 0.000 0.961 1269 E HN 0.237 nan 8.360 nan 0.000 0.443 1270 I N -1.887 118.656 120.570 -0.044 0.000 2.664 1270 I HA 0.438 4.608 4.170 -0.001 0.000 0.308 1270 I C -0.043 176.050 176.117 -0.040 0.000 0.984 1270 I CA -1.100 60.178 61.300 -0.036 0.000 1.213 1270 I CB 1.211 39.190 38.000 -0.034 0.000 1.379 1270 I HN 0.132 nan 8.210 nan 0.000 0.501 1271 R N 3.174 123.662 120.500 -0.020 0.000 2.272 1271 R HA 0.638 4.978 4.340 -0.001 0.000 0.334 1271 R C -0.655 175.637 176.300 -0.013 0.000 1.117 1271 R CA -0.104 55.990 56.100 -0.009 0.000 0.966 1271 R CB 0.452 30.767 30.300 0.024 0.000 1.049 1271 R HN 0.850 nan 8.270 nan 0.000 0.477 1272 A N 1.906 124.700 122.820 -0.043 0.000 2.608 1272 A HA 0.441 4.760 4.320 -0.001 0.000 0.292 1272 A C -1.633 175.896 177.584 -0.092 0.000 1.066 1272 A CA -0.602 51.400 52.037 -0.059 0.000 0.676 1272 A CB 2.084 21.039 19.000 -0.074 0.000 1.277 1272 A HN 0.365 nan 8.150 nan 0.000 0.413 1273 V N 3.286 123.148 119.914 -0.087 0.000 2.409 1273 V HA 0.602 4.721 4.120 -0.001 0.000 0.290 1273 V C -2.396 173.632 176.094 -0.110 0.000 1.017 1273 V CA -2.175 60.060 62.300 -0.109 0.000 0.841 1273 V CB 1.981 33.769 31.823 -0.058 0.000 1.003 1273 V HN 0.812 nan 8.190 nan 0.000 0.426 1274 P HA -0.005 nan 4.420 nan 0.000 0.263 1274 P C 0.317 177.606 177.300 -0.018 0.000 1.175 1274 P CA 0.325 63.359 63.100 -0.109 0.000 0.761 1274 P CB 0.783 32.382 31.700 -0.168 0.000 0.794 1275 L N 2.685 123.897 121.223 -0.018 0.000 2.728 1275 L HA 0.143 4.482 4.340 -0.001 0.000 0.235 1275 L C 0.793 177.668 176.870 0.008 0.000 1.197 1275 L CA -0.224 54.610 54.840 -0.009 0.000 0.992 1275 L CB -0.123 41.915 42.059 -0.034 0.000 1.263 1275 L HN 0.253 nan 8.230 nan 0.000 0.484 1276 V N -4.830 115.120 119.914 0.060 0.000 3.130 1276 V HA 0.541 4.661 4.120 -0.001 0.000 0.310 1276 V C -0.732 175.483 176.094 0.201 0.000 1.158 1276 V CA -0.996 61.353 62.300 0.083 0.000 1.029 1276 V CB 2.137 33.961 31.823 0.001 0.000 1.057 1276 V HN 0.074 nan 8.190 nan 0.000 0.436 1277 N N 1.146 119.957 118.700 0.184 0.000 2.405 1277 N HA 0.383 5.122 4.740 -0.001 0.000 0.299 1277 N C -0.670 174.929 175.510 0.149 0.000 1.075 1277 N CA -0.726 52.422 53.050 0.163 0.000 0.884 1277 N CB 2.567 41.127 38.487 0.122 0.000 1.194 1277 N HN 0.770 nan 8.380 nan 0.000 0.491 1278 R N 1.951 122.317 120.500 -0.224 0.000 4.164 1278 R HA 0.034 4.373 4.340 -0.001 0.000 0.195 1278 R C -0.630 175.704 176.300 0.056 0.000 1.712 1278 R CA -0.256 55.741 56.100 -0.173 0.000 1.457 1278 R CB -0.577 29.183 30.300 -0.899 0.000 1.387 1278 R HN 0.492 nan 8.270 nan 0.000 0.785 1279 D N 1.492 121.969 120.400 0.127 0.000 2.174 1279 D HA -0.112 4.527 4.640 -0.001 0.000 0.245 1279 D C 0.235 176.506 176.300 -0.049 0.000 1.301 1279 D CA 0.382 54.395 54.000 0.021 0.000 0.959 1279 D CB 0.500 41.295 40.800 -0.010 0.000 1.231 1279 D HN 0.447 nan 8.370 nan 0.000 0.535 1280 R N -0.142 120.280 120.500 -0.130 0.000 2.609 1280 R HA 0.381 4.721 4.340 -0.001 0.000 0.271 1280 R C 0.878 176.902 176.300 -0.461 0.000 1.403 1280 R CA 0.243 56.224 56.100 -0.197 0.000 1.138 1280 R CB -0.518 29.702 30.300 -0.134 0.000 1.142 1280 R HN 0.521 nan 8.270 nan 0.000 0.559 1281 G N 1.652 109.916 108.800 -0.892 0.000 2.320 1281 G HA2 -0.349 3.611 3.960 -0.001 0.000 0.242 1281 G HA3 -0.349 3.611 3.960 -0.001 0.000 0.242 1281 G C 0.232 173.888 174.900 -2.072 0.000 1.033 1281 G CA 0.380 44.448 45.100 -1.720 0.000 0.620 1281 G HN 0.577 nan 8.290 nan 0.000 0.517 1282 R N -0.771 119.041 120.500 -1.147 0.000 2.856 1282 R HA 0.787 5.126 4.340 -0.001 0.000 0.258 1282 R C -0.914 175.238 176.300 -0.247 0.000 1.066 1282 R CA -0.755 54.958 56.100 -0.645 0.000 1.045 1282 R CB 0.603 30.732 30.300 -0.285 0.000 1.178 1282 R HN 0.072 nan 8.270 nan 0.000 0.499 1283 F N 1.242 121.263 119.950 0.118 0.000 2.308 1283 F HA 0.258 4.784 4.527 -0.001 0.000 0.370 1283 F C 0.187 176.034 175.800 0.079 0.000 1.100 1283 F CA -0.751 57.364 58.000 0.192 0.000 1.108 1283 F CB 1.494 40.659 39.000 0.274 0.000 1.293 1283 F HN 0.302 nan 8.300 nan 0.000 0.478 1284 E N 3.486 123.836 120.200 0.250 0.000 2.283 1284 E HA 0.099 4.449 4.350 -0.001 0.000 0.278 1284 E C -0.587 176.069 176.600 0.092 0.000 1.027 1284 E CA -0.493 55.983 56.400 0.125 0.000 0.843 1284 E CB 0.613 30.358 29.700 0.077 0.000 1.062 1284 E HN 0.361 nan 8.360 nan 0.000 0.401 1285 D N 2.813 123.236 120.400 0.039 0.000 2.443 1285 D HA -0.003 4.637 4.640 -0.001 0.000 0.239 1285 D C 0.017 176.266 176.300 -0.085 0.000 1.136 1285 D CA -0.149 53.831 54.000 -0.034 0.000 0.879 1285 D CB 0.630 41.378 40.800 -0.086 0.000 1.195 1285 D HN 0.285 nan 8.370 nan 0.000 0.443 1286 L N 1.841 122.997 121.223 -0.112 0.000 2.439 1286 L HA 0.073 4.413 4.340 -0.001 0.000 0.269 1286 L C 0.642 177.318 176.870 -0.323 0.000 1.179 1286 L CA 0.140 54.907 54.840 -0.123 0.000 0.828 1286 L CB 0.439 42.463 42.059 -0.059 0.000 1.106 1286 L HN 0.260 nan 8.230 nan 0.000 0.467 1287 K N 2.766 122.997 120.400 -0.282 0.000 2.350 1287 K HA 0.294 4.614 4.320 -0.001 0.000 0.279 1287 K C -1.327 174.950 176.600 -0.539 0.000 1.027 1287 K CA -0.439 55.569 56.287 -0.465 0.000 0.969 1287 K CB 0.594 32.931 32.500 -0.271 0.000 0.954 1287 K HN 0.458 nan 8.250 nan 0.000 0.474 1288 V N 6.281 125.793 119.914 -0.671 0.000 2.311 1288 V HA 0.144 4.263 4.120 -0.001 0.000 0.275 1288 V C 0.074 176.133 176.094 -0.059 0.000 1.022 1288 V CA -0.810 61.343 62.300 -0.247 0.000 0.830 1288 V CB 0.599 32.311 31.823 -0.185 0.000 1.012 1288 V HN 0.796 nan 8.190 nan 0.000 0.452 1289 H N 4.367 123.300 119.070 -0.228 0.000 2.771 1289 H HA 0.179 4.735 4.556 -0.001 0.000 0.364 1289 H C 0.522 175.677 175.328 -0.288 0.000 1.133 1289 H CA -0.050 55.750 56.048 -0.414 0.000 1.423 1289 H CB 0.359 29.677 29.762 -0.740 0.000 1.425 1289 H HN 0.669 nan 8.280 nan 0.000 0.606 1290 F N -0.640 119.195 119.950 -0.191 0.000 3.019 1290 F HA -0.269 4.257 4.527 -0.001 0.000 0.259 1290 F C 0.287 175.904 175.800 -0.305 0.000 0.976 1290 F CA -0.181 57.586 58.000 -0.388 0.000 0.876 1290 F CB -1.485 37.027 39.000 -0.814 0.000 0.784 1290 F HN 0.360 nan 8.300 nan 0.000 0.786 1291 L N 0.163 121.352 121.223 -0.057 0.000 2.399 1291 L HA 0.423 4.763 4.340 -0.001 0.000 0.266 1291 L C 1.066 177.896 176.870 -0.065 0.000 1.114 1291 L CA -0.323 54.516 54.840 -0.001 0.000 0.804 1291 L CB 1.414 43.509 42.059 0.060 0.000 1.146 1291 L HN 0.258 nan 8.230 nan 0.000 0.451 1292 T N -2.943 111.609 114.554 -0.002 0.000 2.918 1292 T HA 0.163 4.513 4.350 -0.001 0.000 0.283 1292 T C 0.588 175.289 174.700 0.001 0.000 1.001 1292 T CA -0.801 61.302 62.100 0.004 0.000 1.041 1292 T CB 1.382 70.336 68.868 0.144 0.000 1.028 1292 T HN 0.504 nan 8.240 nan 0.000 0.511 1293 D N 1.803 122.203 120.400 -0.001 0.000 2.154 1293 D HA -0.066 4.573 4.640 -0.001 0.000 0.190 1293 D C -0.853 175.452 176.300 0.007 0.000 1.003 1293 D CA 1.666 55.657 54.000 -0.015 0.000 0.849 1293 D CB -1.589 39.210 40.800 -0.003 0.000 0.942 1293 D HN 0.487 nan 8.370 nan 0.000 0.446 1294 P HA -0.136 nan 4.420 nan 0.000 0.213 1294 P C 1.133 178.464 177.300 0.052 0.000 1.170 1294 P CA 1.489 64.613 63.100 0.040 0.000 0.898 1294 P CB -0.073 31.657 31.700 0.049 0.000 0.787 1295 E N -0.657 119.585 120.200 0.070 0.000 2.085 1295 E HA -0.237 4.113 4.350 -0.001 0.000 0.194 1295 E C 1.973 178.629 176.600 0.093 0.000 0.994 1295 E CA 1.178 57.634 56.400 0.092 0.000 0.801 1295 E CB -0.960 28.808 29.700 0.115 0.000 0.743 1295 E HN 0.374 nan 8.360 nan 0.000 0.453 1296 N N 0.366 119.104 118.700 0.062 0.000 2.272 1296 N HA -0.187 4.553 4.740 -0.001 0.000 0.185 1296 N C 1.694 177.254 175.510 0.083 0.000 1.014 1296 N CA 0.694 53.784 53.050 0.068 0.000 0.870 1296 N CB 0.232 38.667 38.487 -0.088 0.000 0.975 1296 N HN 0.144 nan 8.380 nan 0.000 0.433 1297 E N 0.667 120.898 120.200 0.053 0.000 2.046 1297 E HA -0.169 4.180 4.350 -0.001 0.000 0.190 1297 E C 1.532 178.172 176.600 0.067 0.000 0.982 1297 E CA 1.005 57.434 56.400 0.050 0.000 0.800 1297 E CB -0.216 29.504 29.700 0.033 0.000 0.756 1297 E HN 0.684 nan 8.360 nan 0.000 0.449 1298 M N 0.641 120.285 119.600 0.073 0.000 2.626 1298 M HA 0.249 4.729 4.480 -0.001 0.000 0.262 1298 M C 1.255 177.611 176.300 0.093 0.000 1.256 1298 M CA -0.035 55.310 55.300 0.075 0.000 0.981 1298 M CB 0.029 32.672 32.600 0.071 0.000 1.492 1298 M HN -0.182 nan 8.290 nan 0.000 0.474 1299 K N 0.440 120.908 120.400 0.113 0.000 2.074 1299 K HA -0.154 4.165 4.320 -0.001 0.000 0.209 1299 K C 1.727 178.372 176.600 0.074 0.000 1.048 1299 K CA 1.778 58.136 56.287 0.119 0.000 0.926 1299 K CB -0.586 32.020 32.500 0.177 0.000 0.713 1299 K HN 0.495 nan 8.250 nan 0.000 0.444 1300 E N 1.156 121.389 120.200 0.056 0.000 2.265 1300 E HA -0.173 4.177 4.350 -0.001 0.000 0.196 1300 E C 1.380 178.007 176.600 0.045 0.000 0.996 1300 E CA 1.163 57.584 56.400 0.035 0.000 0.832 1300 E CB 0.194 29.911 29.700 0.028 0.000 0.756 1300 E HN 0.331 nan 8.360 nan 0.000 0.491 1301 K N 0.065 120.501 120.400 0.060 0.000 2.044 1301 K HA -0.006 4.314 4.320 -0.001 0.000 0.204 1301 K C 2.142 178.796 176.600 0.091 0.000 1.049 1301 K CA 0.562 56.886 56.287 0.062 0.000 0.945 1301 K CB -0.265 32.272 32.500 0.062 0.000 0.724 1301 K HN 0.067 nan 8.250 nan 0.000 0.440 1302 L N 0.634 121.937 121.223 0.134 0.000 2.079 1302 L HA -0.188 4.152 4.340 -0.001 0.000 0.210 1302 L C 2.116 179.135 176.870 0.249 0.000 1.081 1302 L CA 1.112 56.092 54.840 0.235 0.000 0.752 1302 L CB -0.437 41.763 42.059 0.234 0.000 0.896 1302 L HN 0.154 nan 8.230 nan 0.000 0.433 1303 L N -0.551 120.754 121.223 0.135 0.000 2.093 1303 L HA -0.201 4.139 4.340 -0.001 0.000 0.208 1303 L C 2.470 179.381 176.870 0.069 0.000 1.085 1303 L CA 1.311 56.208 54.840 0.094 0.000 0.755 1303 L CB -0.436 41.642 42.059 0.030 0.000 0.904 1303 L HN 0.184 nan 8.230 nan 0.000 0.435 1304 K N -0.423 120.005 120.400 0.046 0.000 2.365 1304 K HA -0.146 4.174 4.320 -0.001 0.000 0.199 1304 K C 1.860 178.461 176.600 0.000 0.000 1.045 1304 K CA 0.682 56.975 56.287 0.010 0.000 0.962 1304 K CB 0.088 32.590 32.500 0.004 0.000 0.759 1304 K HN 0.365 nan 8.250 nan 0.000 0.469 1305 E N 0.055 120.273 120.200 0.030 0.000 2.075 1305 E HA -0.084 4.266 4.350 -0.001 0.000 0.190 1305 E C 1.056 177.591 176.600 -0.109 0.000 0.969 1305 E CA 0.704 57.076 56.400 -0.047 0.000 0.815 1305 E CB 0.147 29.818 29.700 -0.049 0.000 0.776 1305 E HN 0.296 nan 8.360 nan 0.000 0.457 1306 Y N 0.092 120.397 120.300 0.008 0.000 2.523 1306 Y HA 0.247 4.796 4.550 -0.001 0.000 0.279 1306 Y C 0.541 176.415 175.900 -0.043 0.000 1.139 1306 Y CA 0.222 58.326 58.100 0.007 0.000 1.296 1306 Y CB 0.615 39.101 38.460 0.044 0.000 1.045 1306 Y HN -0.044 nan 8.280 nan 0.000 0.538 1307 L N -0.815 120.444 121.223 0.060 0.000 2.327 1307 L HA 0.453 4.792 4.340 -0.001 0.000 0.258 1307 L C -0.624 176.175 176.870 -0.118 0.000 1.024 1307 L CA -1.070 53.737 54.840 -0.055 0.000 0.825 1307 L CB 2.128 44.169 42.059 -0.030 0.000 1.386 1307 L HN -0.175 nan 8.230 nan 0.000 0.417 1308 M N 2.062 121.533 119.600 -0.214 0.000 2.852 1308 M HA 0.269 4.748 4.480 -0.001 0.000 0.321 1308 M C -0.903 175.311 176.300 -0.144 0.000 1.337 1308 M CA -0.459 54.715 55.300 -0.209 0.000 1.406 1308 M CB 0.681 33.077 32.600 -0.340 0.000 1.152 1308 M HN 0.179 nan 8.290 nan 0.000 0.508 1309 V N 4.583 124.443 119.914 -0.091 0.000 2.637 1309 V HA 0.346 4.465 4.120 -0.001 0.000 0.296 1309 V C 0.211 176.271 176.094 -0.057 0.000 1.046 1309 V CA -0.200 62.062 62.300 -0.065 0.000 1.066 1309 V CB 0.414 32.213 31.823 -0.039 0.000 0.968 1309 V HN 0.730 nan 8.190 nan 0.000 0.483 1310 I N 0.650 121.189 120.570 -0.052 0.000 3.074 1310 I HA 0.734 4.903 4.170 -0.001 0.000 0.310 1310 I C -0.758 175.338 176.117 -0.034 0.000 1.153 1310 I CA -0.938 60.337 61.300 -0.041 0.000 0.993 1310 I CB 2.642 40.615 38.000 -0.045 0.000 1.237 1310 I HN 0.359 nan 8.210 nan 0.000 0.443 1311 E N 4.229 124.415 120.200 -0.023 0.000 2.191 1311 E HA 0.614 4.963 4.350 -0.001 0.000 0.278 1311 E C -1.050 175.540 176.600 -0.017 0.000 0.972 1311 E CA -0.511 55.881 56.400 -0.015 0.000 0.804 1311 E CB 2.805 32.506 29.700 0.000 0.000 1.110 1311 E HN 0.535 nan 8.360 nan 0.000 0.394 1312 I N 3.338 123.896 120.570 -0.020 0.000 2.499 1312 I HA 0.229 4.399 4.170 -0.001 0.000 0.288 1312 I C -2.453 173.662 176.117 -0.004 0.000 1.048 1312 I CA -2.410 58.876 61.300 -0.024 0.000 1.062 1312 I CB 2.470 40.438 38.000 -0.053 0.000 1.238 1312 I HN 0.039 nan 8.210 nan 0.000 0.426 1313 P HA 0.151 nan 4.420 nan 0.000 0.273 1313 P C -0.496 176.813 177.300 0.015 0.000 1.319 1313 P CA 0.045 63.163 63.100 0.030 0.000 0.885 1313 P CB 0.487 32.204 31.700 0.028 0.000 1.015 1314 V N 3.685 123.615 119.914 0.026 0.000 2.837 1314 V HA 0.209 4.329 4.120 -0.001 0.000 0.310 1314 V C 0.714 176.785 176.094 -0.039 0.000 1.059 1314 V CA -0.732 61.574 62.300 0.010 0.000 1.004 1314 V CB 1.571 33.422 31.823 0.047 0.000 1.045 1314 V HN 0.444 nan 8.190 nan 0.000 0.465 1315 Q N 1.279 121.038 119.800 -0.069 0.000 2.315 1315 Q HA 0.146 4.486 4.340 -0.001 0.000 0.289 1315 Q C 0.746 176.517 176.000 -0.382 0.000 1.044 1315 Q CA 0.593 56.301 55.803 -0.158 0.000 0.920 1315 Q CB 0.732 29.386 28.738 -0.140 0.000 1.214 1315 Q HN 0.960 nan 8.270 nan 0.000 0.392 1316 G N 2.961 111.501 108.800 -0.434 0.000 2.529 1316 G HA2 -0.110 3.850 3.960 -0.001 0.000 0.234 1316 G HA3 -0.110 3.850 3.960 -0.001 0.000 0.234 1316 G C -0.789 173.722 174.900 -0.647 0.000 1.527 1316 G CA -0.530 44.117 45.100 -0.755 0.000 1.062 1316 G HN 0.834 nan 8.290 nan 0.000 0.558 1317 W N 1.617 122.624 121.300 -0.488 0.000 1.928 1317 W HA 0.280 4.940 4.660 -0.001 0.000 0.341 1317 W C -0.039 176.110 176.519 -0.615 0.000 0.789 1317 W CA -0.371 56.679 57.345 -0.491 0.000 1.680 1317 W CB -0.593 28.678 29.460 -0.316 0.000 1.882 1317 W HN 0.560 nan 8.180 nan 0.000 0.315 1318 D N 2.526 122.713 120.400 -0.355 0.000 2.737 1318 D HA -0.280 4.360 4.640 -0.001 0.000 0.238 1318 D C -0.586 175.691 176.300 -0.039 0.000 1.157 1318 D CA 1.564 55.469 54.000 -0.159 0.000 0.694 1318 D CB -1.054 39.723 40.800 -0.038 0.000 1.021 1318 D HN 0.698 nan 8.370 nan 0.000 0.420 1319 H N -2.527 116.575 119.070 0.053 0.000 3.287 1319 H HA 0.440 4.996 4.556 -0.001 0.000 0.279 1319 H C 1.063 176.425 175.328 0.058 0.000 1.357 1319 H CA -0.133 55.950 56.048 0.059 0.000 1.444 1319 H CB 0.076 29.882 29.762 0.074 0.000 2.345 1319 H HN 0.086 nan 8.280 nan 0.000 0.651 1320 G N 0.714 109.604 108.800 0.150 0.000 2.271 1320 G HA2 -0.398 3.561 3.960 -0.001 0.000 0.277 1320 G HA3 -0.398 3.561 3.960 -0.001 0.000 0.277 1320 G C 0.666 175.651 174.900 0.142 0.000 1.004 1320 G CA 1.429 46.599 45.100 0.117 0.000 0.679 1320 G HN 0.949 nan 8.290 nan 0.000 0.540 1321 T N 0.209 114.895 114.554 0.220 0.000 2.913 1321 T HA 0.609 4.958 4.350 -0.001 0.000 0.287 1321 T C 0.366 175.167 174.700 0.167 0.000 1.008 1321 T CA 0.786 63.041 62.100 0.259 0.000 1.067 1321 T CB 1.115 70.261 68.868 0.464 0.000 0.996 1321 T HN 1.032 nan 8.240 nan 0.000 0.513 1322 T N 1.751 116.444 114.554 0.231 0.000 2.921 1322 T HA 0.520 4.870 4.350 -0.001 0.000 0.297 1322 T C -0.990 173.935 174.700 0.374 0.000 1.013 1322 T CA -0.879 61.319 62.100 0.163 0.000 0.990 1322 T CB 0.701 69.622 68.868 0.089 0.000 1.023 1322 T HN 0.785 nan 8.240 nan 0.000 0.447 1323 H N 1.597 120.763 119.070 0.160 0.000 2.533 1323 H HA 0.657 5.213 4.556 -0.001 0.000 0.343 1323 H C -0.836 174.577 175.328 0.142 0.000 1.160 1323 H CA -1.297 54.868 56.048 0.194 0.000 1.218 1323 H CB 1.879 31.849 29.762 0.348 0.000 1.566 1323 H HN 0.358 nan 8.280 nan 0.000 0.522 1324 L N 3.727 125.096 121.223 0.244 0.000 2.257 1324 L HA 0.328 4.667 4.340 -0.001 0.000 0.290 1324 L C -0.525 176.407 176.870 0.102 0.000 1.044 1324 L CA -0.203 54.714 54.840 0.128 0.000 0.810 1324 L CB 0.222 42.336 42.059 0.091 0.000 1.193 1324 L HN 0.489 nan 8.230 nan 0.000 0.425 1325 I N 0.429 121.019 120.570 0.033 0.000 2.910 1325 I HA 0.537 4.707 4.170 -0.001 0.000 0.310 1325 I C -0.431 175.665 176.117 -0.035 0.000 1.043 1325 I CA -0.945 60.339 61.300 -0.027 0.000 1.053 1325 I CB 1.914 39.815 38.000 -0.165 0.000 1.242 1325 I HN 0.438 nan 8.210 nan 0.000 0.452 1326 N N 1.897 120.574 118.700 -0.039 0.000 2.472 1326 N HA 0.617 5.356 4.740 -0.001 0.000 0.277 1326 N C -0.924 174.553 175.510 -0.054 0.000 1.081 1326 N CA -0.399 52.629 53.050 -0.037 0.000 0.973 1326 N CB 1.438 39.908 38.487 -0.027 0.000 1.105 1326 N HN 0.795 nan 8.380 nan 0.000 0.470 1327 A N 1.366 124.151 122.820 -0.058 0.000 2.486 1327 A HA 0.723 5.042 4.320 -0.001 0.000 0.300 1327 A C -1.068 176.475 177.584 -0.068 0.000 1.048 1327 A CA -0.662 51.332 52.037 -0.071 0.000 0.696 1327 A CB 1.389 20.334 19.000 -0.092 0.000 1.278 1327 A HN 0.635 nan 8.150 nan 0.000 0.405 1328 A N 2.309 125.088 122.820 -0.068 0.000 2.301 1328 A HA 0.623 4.942 4.320 -0.001 0.000 0.298 1328 A C 0.065 177.601 177.584 -0.081 0.000 1.185 1328 A CA -0.550 51.439 52.037 -0.080 0.000 0.830 1328 A CB 0.276 19.235 19.000 -0.069 0.000 1.112 1328 A HN 0.612 nan 8.150 nan 0.000 0.508 1329 K N 1.907 122.239 120.400 -0.113 0.000 2.401 1329 K HA 0.232 4.552 4.320 -0.001 0.000 0.278 1329 K C -0.493 176.103 176.600 -0.006 0.000 1.018 1329 K CA 0.365 56.605 56.287 -0.077 0.000 0.981 1329 K CB 0.488 32.914 32.500 -0.124 0.000 0.933 1329 K HN 0.626 nan 8.250 nan 0.000 0.477 1330 L N 2.471 123.746 121.223 0.087 0.000 2.307 1330 L HA 0.162 4.501 4.340 -0.001 0.000 0.282 1330 L C 0.729 177.763 176.870 0.273 0.000 1.051 1330 L CA -0.892 54.053 54.840 0.176 0.000 0.804 1330 L CB 1.075 43.197 42.059 0.105 0.000 1.197 1330 L HN 0.535 nan 8.230 nan 0.000 0.431 1331 D N 2.196 122.785 120.400 0.315 0.000 2.378 1331 D HA 0.042 4.681 4.640 -0.001 0.000 0.238 1331 D C -0.267 176.015 176.300 -0.030 0.000 1.180 1331 D CA -0.024 53.942 54.000 -0.055 0.000 0.895 1331 D CB 0.809 41.455 40.800 -0.256 0.000 1.192 1331 D HN 0.589 nan 8.370 nan 0.000 0.438 1332 E N 0.143 120.287 120.200 -0.092 0.000 2.202 1332 E HA 0.619 4.969 4.350 -0.001 0.000 0.272 1332 E C -0.832 175.740 176.600 -0.047 0.000 0.951 1332 E CA -1.355 55.016 56.400 -0.048 0.000 0.813 1332 E CB 1.208 30.888 29.700 -0.034 0.000 1.151 1332 E HN 0.377 nan 8.360 nan 0.000 0.398 1333 A N 2.941 125.738 122.820 -0.039 0.000 2.583 1333 A HA -0.049 4.270 4.320 -0.001 0.000 0.249 1333 A C 0.017 177.603 177.584 0.004 0.000 1.035 1333 A CA 0.478 52.499 52.037 -0.026 0.000 0.777 1333 A CB -0.717 18.266 19.000 -0.029 0.000 0.942 1333 A HN 0.777 nan 8.150 nan 0.000 0.516 1334 N N 1.474 120.203 118.700 0.049 0.000 2.240 1334 N HA 0.191 4.931 4.740 -0.001 0.000 0.240 1334 N C -0.719 174.899 175.510 0.181 0.000 1.277 1334 N CA -0.306 52.803 53.050 0.098 0.000 0.873 1334 N CB -0.128 38.414 38.487 0.092 0.000 1.222 1334 N HN 0.464 nan 8.380 nan 0.000 0.507 1335 L N 1.112 122.376 121.223 0.069 0.000 2.360 1335 L HA 0.423 4.763 4.340 -0.001 0.000 0.276 1335 L C -2.052 174.784 176.870 -0.057 0.000 1.121 1335 L CA -1.752 53.029 54.840 -0.099 0.000 0.845 1335 L CB 0.552 42.508 42.059 -0.171 0.000 1.143 1335 L HN -0.100 nan 8.230 nan 0.000 0.452 1336 P HA 0.021 nan 4.420 nan 0.000 0.269 1336 P C 0.202 177.477 177.300 -0.042 0.000 1.209 1336 P CA -0.327 62.761 63.100 -0.020 0.000 0.776 1336 P CB 0.753 32.452 31.700 -0.001 0.000 0.876 1337 K N 3.707 124.097 120.400 -0.017 0.000 2.052 1337 K HA -0.262 4.057 4.320 -0.001 0.000 0.215 1337 K C 1.711 178.299 176.600 -0.020 0.000 1.053 1337 K CA 2.125 58.405 56.287 -0.013 0.000 0.934 1337 K CB -0.590 31.908 32.500 -0.004 0.000 0.717 1337 K HN 0.587 nan 8.250 nan 0.000 0.450 1338 E N 0.891 121.076 120.200 -0.025 0.000 2.396 1338 E HA -0.191 4.159 4.350 -0.001 0.000 0.200 1338 E C 1.153 177.726 176.600 -0.044 0.000 1.023 1338 E CA 1.595 57.978 56.400 -0.028 0.000 0.857 1338 E CB -0.311 29.373 29.700 -0.026 0.000 0.775 1338 E HN 0.728 nan 8.360 nan 0.000 0.525 1339 I N -2.603 117.924 120.570 -0.071 0.000 3.813 1339 I HA 0.368 4.538 4.170 -0.001 0.000 0.323 1339 I C -0.031 176.037 176.117 -0.082 0.000 1.536 1339 I CA -0.742 60.500 61.300 -0.097 0.000 1.083 1339 I CB 0.158 38.046 38.000 -0.186 0.000 1.265 1339 I HN -0.229 nan 8.210 nan 0.000 0.507 1340 N N 2.212 120.887 118.700 -0.042 0.000 2.527 1340 N HA 0.394 5.133 4.740 -0.001 0.000 0.236 1340 N C 0.480 176.013 175.510 0.039 0.000 0.999 1340 N CA -0.162 52.882 53.050 -0.010 0.000 0.935 1340 N CB 1.484 39.967 38.487 -0.007 0.000 1.132 1340 N HN 0.417 nan 8.380 nan 0.000 0.511 1341 L N 2.557 123.822 121.223 0.070 0.000 2.418 1341 L HA 0.017 4.357 4.340 -0.001 0.000 0.218 1341 L C 2.018 178.996 176.870 0.179 0.000 1.125 1341 L CA 0.310 55.224 54.840 0.124 0.000 0.835 1341 L CB 0.170 42.322 42.059 0.155 0.000 0.953 1341 L HN 0.313 nan 8.230 nan 0.000 0.454 1342 V N -0.059 119.954 119.914 0.164 0.000 2.407 1342 V HA -0.276 3.844 4.120 -0.001 0.000 0.248 1342 V C 2.033 178.259 176.094 0.219 0.000 1.055 1342 V CA 1.814 64.259 62.300 0.241 0.000 1.049 1342 V CB -0.378 31.563 31.823 0.198 0.000 0.662 1342 V HN 0.439 nan 8.190 nan 0.000 0.455 1343 D N 0.037 120.518 120.400 0.136 0.000 2.097 1343 D HA -0.154 4.486 4.640 -0.001 0.000 0.195 1343 D C 1.916 178.296 176.300 0.134 0.000 0.989 1343 D CA 1.462 55.529 54.000 0.112 0.000 0.827 1343 D CB -0.402 40.435 40.800 0.063 0.000 0.966 1343 D HN 0.401 nan 8.370 nan 0.000 0.456 1344 D N -0.373 120.094 120.400 0.110 0.000 2.104 1344 D HA -0.176 4.464 4.640 -0.001 0.000 0.194 1344 D C 1.971 178.313 176.300 0.071 0.000 0.994 1344 D CA 0.728 54.771 54.000 0.072 0.000 0.830 1344 D CB -0.630 40.204 40.800 0.056 0.000 0.959 1344 D HN 0.318 nan 8.370 nan 0.000 0.452 1345 Y N -0.244 120.065 120.300 0.015 0.000 2.181 1345 Y HA -0.250 4.300 4.550 -0.001 0.000 0.288 1345 Y C 2.207 178.005 175.900 -0.170 0.000 1.146 1345 Y CA 1.177 59.267 58.100 -0.016 0.000 1.164 1345 Y CB -0.213 38.314 38.460 0.111 0.000 0.982 1345 Y HN -0.089 nan 8.280 nan 0.000 0.515 1346 F N 1.142 121.001 119.950 -0.152 0.000 2.186 1346 F HA -0.167 4.360 4.527 -0.001 0.000 0.299 1346 F C 2.065 177.776 175.800 -0.149 0.000 1.090 1346 F CA 1.992 59.734 58.000 -0.430 0.000 1.307 1346 F CB -0.318 38.387 39.000 -0.492 0.000 1.019 1346 F HN 0.076 nan 8.300 nan 0.000 0.489 1347 E N -0.096 120.090 120.200 -0.023 0.000 2.153 1347 E HA -0.218 4.131 4.350 -0.001 0.000 0.194 1347 E C 2.038 178.576 176.600 -0.103 0.000 0.988 1347 E CA 1.084 57.456 56.400 -0.045 0.000 0.811 1347 E CB -0.296 29.415 29.700 0.019 0.000 0.746 1347 E HN 0.345 nan 8.360 nan 0.000 0.466 1348 L N 0.731 121.866 121.223 -0.147 0.000 1.994 1348 L HA -0.159 4.180 4.340 -0.001 0.000 0.208 1348 L C 2.461 179.274 176.870 -0.096 0.000 1.071 1348 L CA 1.538 56.288 54.840 -0.149 0.000 0.745 1348 L CB -0.575 41.293 42.059 -0.319 0.000 0.892 1348 L HN 0.138 nan 8.230 nan 0.000 0.431 1349 V N -2.633 117.159 119.914 -0.204 0.000 2.515 1349 V HA -0.279 3.841 4.120 -0.001 0.000 0.250 1349 V C 2.306 178.352 176.094 -0.080 0.000 1.058 1349 V CA 1.857 64.078 62.300 -0.132 0.000 1.064 1349 V CB -1.140 30.517 31.823 -0.276 0.000 0.675 1349 V HN 0.671 nan 8.190 nan 0.000 0.461 1350 Q N 0.213 119.874 119.800 -0.232 0.000 2.124 1350 Q HA -0.269 4.071 4.340 -0.001 0.000 0.202 1350 Q C 2.286 178.331 176.000 0.075 0.000 0.977 1350 Q CA 2.289 58.029 55.803 -0.104 0.000 0.850 1350 Q CB -0.319 28.278 28.738 -0.235 0.000 0.901 1350 Q HN 0.956 nan 8.270 nan 0.000 0.429 1351 H N -0.135 118.921 119.070 -0.024 0.000 2.317 1351 H HA -0.005 4.550 4.556 -0.001 0.000 0.304 1351 H C 1.587 176.947 175.328 0.053 0.000 1.067 1351 H CA 1.675 57.727 56.048 0.006 0.000 1.352 1351 H CB 0.140 29.890 29.762 -0.020 0.000 1.398 1351 H HN 0.184 nan 8.280 nan 0.000 0.510 1352 E N -0.223 119.960 120.200 -0.028 0.000 2.333 1352 E HA -0.192 4.157 4.350 -0.001 0.000 0.198 1352 E C 1.579 178.259 176.600 0.133 0.000 1.007 1352 E CA 0.678 57.091 56.400 0.021 0.000 0.845 1352 E CB -0.329 29.505 29.700 0.223 0.000 0.766 1352 E HN 0.600 nan 8.360 nan 0.000 0.507 1353 Y N 1.527 121.738 120.300 -0.147 0.000 2.231 1353 Y HA -0.027 4.523 4.550 -0.001 0.000 0.294 1353 Y C 2.366 178.174 175.900 -0.154 0.000 1.120 1353 Y CA 1.254 59.098 58.100 -0.426 0.000 1.141 1353 Y CB -0.010 38.143 38.460 -0.511 0.000 1.022 1353 Y HN -0.138 nan 8.280 nan 0.000 0.523 1354 K N 0.399 120.707 120.400 -0.154 0.000 2.152 1354 K HA -0.185 4.135 4.320 -0.001 0.000 0.206 1354 K C 1.796 178.281 176.600 -0.192 0.000 1.048 1354 K CA 1.530 57.706 56.287 -0.185 0.000 0.933 1354 K CB -0.084 32.362 32.500 -0.090 0.000 0.721 1354 K HN 0.204 nan 8.250 nan 0.000 0.447 1355 K N -0.659 119.630 120.400 -0.185 0.000 2.486 1355 K HA -0.103 4.216 4.320 -0.001 0.000 0.194 1355 K C 1.395 177.976 176.600 -0.032 0.000 1.033 1355 K CA 0.365 56.568 56.287 -0.140 0.000 1.004 1355 K CB 0.098 32.474 32.500 -0.208 0.000 0.798 1355 K HN 0.423 nan 8.250 nan 0.000 0.495 1356 W N 1.118 122.263 121.300 -0.260 0.000 2.808 1356 W HA 0.036 4.696 4.660 -0.001 0.000 0.266 1356 W C 1.087 177.435 176.519 -0.285 0.000 1.247 1356 W CA 0.430 57.658 57.345 -0.195 0.000 1.440 1356 W CB 0.365 29.759 29.460 -0.110 0.000 1.040 1356 W HN 0.039 nan 8.180 nan 0.000 0.606 1357 Q N 0.646 120.289 119.800 -0.261 0.000 2.123 1357 Q HA -0.123 4.217 4.340 -0.001 0.000 0.196 1357 Q C 1.920 177.788 176.000 -0.220 0.000 0.958 1357 Q CA 1.547 57.183 55.803 -0.278 0.000 0.841 1357 Q CB -0.132 28.410 28.738 -0.327 0.000 0.915 1357 Q HN 0.322 nan 8.270 nan 0.000 0.455 1358 E N 0.535 120.624 120.200 -0.186 0.000 2.204 1358 E HA -0.137 4.213 4.350 -0.001 0.000 0.194 1358 E C 1.478 177.983 176.600 -0.160 0.000 0.989 1358 E CA 0.751 57.065 56.400 -0.144 0.000 0.824 1358 E CB 0.026 29.658 29.700 -0.114 0.000 0.756 1358 E HN 0.258 nan 8.360 nan 0.000 0.477 1359 N N 0.612 119.189 118.700 -0.204 0.000 2.207 1359 N HA -0.090 4.649 4.740 -0.001 0.000 0.182 1359 N C 1.459 176.788 175.510 -0.301 0.000 1.020 1359 N CA 1.208 54.118 53.050 -0.233 0.000 0.858 1359 N CB -0.050 38.287 38.487 -0.250 0.000 0.991 1359 N HN 0.038 nan 8.380 nan 0.000 0.427 1360 S N 0.228 115.680 115.700 -0.414 0.000 2.894 1360 S HA 0.030 4.499 4.470 -0.001 0.000 0.231 1360 S C 0.742 175.209 174.600 -0.221 0.000 0.971 1360 S CA 0.297 58.261 58.200 -0.392 0.000 1.005 1360 S CB -0.519 62.403 63.200 -0.464 0.000 0.799 1360 S HN 0.287 nan 8.310 nan 0.000 0.527 1361 E N 0.897 120.989 120.200 -0.179 0.000 2.445 1361 E HA 0.082 4.431 4.350 -0.001 0.000 0.189 1361 E C 0.441 176.979 176.600 -0.104 0.000 1.069 1361 E CA -0.005 56.323 56.400 -0.121 0.000 0.871 1361 E CB 0.198 29.836 29.700 -0.103 0.000 0.991 1361 E HN 0.668 nan 8.360 nan 0.000 0.481 1362 Q N 0.000 119.727 119.800 -0.122 0.000 2.315 1362 Q HA 0.000 4.340 4.340 -0.001 0.000 0.214 1362 Q CA 0.000 55.744 55.803 -0.098 0.000 1.022 1362 Q CB 0.000 28.673 28.738 -0.108 0.000 1.108 1362 Q HN 0.000 nan 8.270 nan 0.000 0.481