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 2nxh_1_A DATA FIRST_RESID 1003 DATA SEQUENCE KFLVIAGPNA IESEELLLKV GEEIKRLSEK FKEVEFVFKS SFDKANRSSI DATA SEQUENCE HSFRGHGLEY GVKALRKVKE EFGLKITTDI HESWQAEPVA EVADIIQIPA DATA SEQUENCE FLCRQTDLLL AAAKTGRAVN VKKGQFLAPW DTKNVVEKLK FGGAKEIYLT DATA SEQUENCE ERGTTFGYNN LVVDFRSLPI MKQWAKVIYD ATHSVQLPGG LGDKSGGMRE DATA SEQUENCE FIFPLIRAAV AVGCDGVFME THPEPEKALS DAPTALPLSQ LEGIIEAILE DATA SEQUENCE IREVASKYYE TI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1003 K HA 0.000 nan 4.320 nan 0.000 0.191 1003 K C 0.000 176.680 176.600 0.133 0.000 0.988 1003 K CA 0.000 56.356 56.287 0.116 0.000 0.838 1003 K CB 0.000 32.549 32.500 0.081 0.000 1.064 1004 F N 3.889 123.837 119.950 -0.003 0.000 2.572 1004 F HA 0.269 4.795 4.527 -0.001 0.000 0.370 1004 F C -0.041 175.704 175.800 -0.092 0.000 1.103 1004 F CA -0.106 57.877 58.000 -0.028 0.000 1.286 1004 F CB 0.459 39.434 39.000 -0.042 0.000 1.105 1004 F HN 0.497 nan 8.300 nan 0.000 0.583 1005 L N 6.725 127.612 121.223 -0.559 0.000 2.289 1005 L HA 0.516 4.855 4.340 -0.000 0.000 0.285 1005 L C -1.184 175.413 176.870 -0.456 0.000 1.049 1005 L CA -0.342 54.248 54.840 -0.416 0.000 0.804 1005 L CB 1.318 43.176 42.059 -0.335 0.000 1.195 1005 L HN 0.354 nan 8.230 nan 0.000 0.428 1006 V N 7.077 126.768 119.914 -0.371 0.000 2.376 1006 V HA 0.413 4.533 4.120 -0.000 0.000 0.287 1006 V C -0.008 175.983 176.094 -0.172 0.000 1.015 1006 V CA -0.418 61.715 62.300 -0.278 0.000 0.834 1006 V CB 1.409 32.977 31.823 -0.424 0.000 1.001 1006 V HN 0.568 nan 8.190 nan 0.000 0.428 1007 I N 4.817 125.288 120.570 -0.165 0.000 2.304 1007 I HA 0.762 4.932 4.170 -0.000 0.000 0.291 1007 I C 0.360 176.263 176.117 -0.357 0.000 1.018 1007 I CA -0.016 61.147 61.300 -0.228 0.000 1.260 1007 I CB 1.392 39.251 38.000 -0.236 0.000 1.390 1007 I HN 0.695 nan 8.210 nan 0.000 0.475 1008 A N 4.648 127.280 122.820 -0.312 0.000 2.587 1008 A HA 1.008 5.327 4.320 -0.000 0.000 0.293 1008 A C -0.408 176.858 177.584 -0.530 0.000 1.087 1008 A CA -0.268 51.548 52.037 -0.367 0.000 0.692 1008 A CB 2.031 20.945 19.000 -0.145 0.000 1.291 1008 A HN 0.884 nan 8.150 nan 0.000 0.407 1009 G N -0.279 108.201 108.800 -0.533 0.000 2.337 1009 G HA2 0.522 4.482 3.960 -0.000 0.000 0.298 1009 G HA3 0.522 4.482 3.960 -0.000 0.000 0.298 1009 G C -3.572 171.094 174.900 -0.388 0.000 1.335 1009 G CA -0.223 44.442 45.100 -0.726 0.000 0.875 1009 G HN 0.722 nan 8.290 nan 0.000 0.579 1010 P HA 0.189 nan 4.420 nan 0.000 0.278 1010 P C 0.534 177.818 177.300 -0.025 0.000 1.238 1010 P CA -0.167 62.897 63.100 -0.061 0.000 0.794 1010 P CB 1.806 33.514 31.700 0.012 0.000 0.955 1011 N N 2.270 120.994 118.700 0.040 0.000 2.036 1011 N HA -0.161 4.579 4.740 -0.000 0.000 0.195 1011 N C 0.445 176.023 175.510 0.113 0.000 1.037 1011 N CA 1.740 54.837 53.050 0.079 0.000 0.855 1011 N CB -0.154 38.387 38.487 0.090 0.000 1.033 1011 N HN 0.598 nan 8.380 nan 0.000 0.423 1012 A N -0.694 122.217 122.820 0.151 0.000 2.386 1012 A HA 0.558 4.877 4.320 -0.000 0.000 0.308 1012 A C -0.593 177.144 177.584 0.255 0.000 1.128 1012 A CA -0.688 51.479 52.037 0.216 0.000 0.789 1012 A CB 0.985 20.173 19.000 0.314 0.000 1.325 1012 A HN 0.231 nan 8.150 nan 0.000 0.437 1013 I N 1.946 122.711 120.570 0.325 0.000 2.268 1013 I HA 0.036 4.206 4.170 -0.000 0.000 0.298 1013 I C 0.872 177.266 176.117 0.462 0.000 1.185 1013 I CA 0.296 61.826 61.300 0.383 0.000 1.548 1013 I CB -0.213 38.050 38.000 0.440 0.000 1.492 1013 I HN 0.859 nan 8.210 nan 0.000 0.711 1014 E N 2.536 122.924 120.200 0.313 0.000 2.204 1014 E HA -0.109 4.240 4.350 -0.000 0.000 0.195 1014 E C 0.472 177.315 176.600 0.405 0.000 0.990 1014 E CA 0.764 57.295 56.400 0.219 0.000 0.821 1014 E CB 0.189 29.910 29.700 0.035 0.000 0.750 1014 E HN 0.728 nan 8.360 nan 0.000 0.477 1015 S N -1.863 114.059 115.700 0.371 0.000 2.622 1015 S HA 0.071 4.541 4.470 -0.000 0.000 0.275 1015 S C 0.163 174.940 174.600 0.296 0.000 1.112 1015 S CA -0.839 57.571 58.200 0.349 0.000 0.837 1015 S CB 1.241 64.552 63.200 0.185 0.000 1.082 1015 S HN 0.074 nan 8.310 nan 0.000 0.456 1016 E N 0.659 121.020 120.200 0.268 0.000 2.153 1016 E HA -0.186 4.164 4.350 -0.000 0.000 0.194 1016 E C 1.598 178.249 176.600 0.085 0.000 0.988 1016 E CA 1.453 57.910 56.400 0.096 0.000 0.811 1016 E CB -0.115 29.575 29.700 -0.016 0.000 0.746 1016 E HN 0.723 nan 8.360 nan 0.000 0.466 1017 E N 0.241 120.499 120.200 0.096 0.000 2.077 1017 E HA -0.219 4.131 4.350 -0.000 0.000 0.193 1017 E C 2.206 178.844 176.600 0.064 0.000 0.989 1017 E CA 1.048 57.488 56.400 0.067 0.000 0.800 1017 E CB -0.099 29.635 29.700 0.057 0.000 0.746 1017 E HN 0.294 nan 8.360 nan 0.000 0.452 1018 L N 0.637 121.903 121.223 0.073 0.000 2.083 1018 L HA -0.134 4.206 4.340 -0.000 0.000 0.209 1018 L C 2.097 179.016 176.870 0.082 0.000 1.083 1018 L CA 1.320 56.179 54.840 0.033 0.000 0.752 1018 L CB -0.395 41.677 42.059 0.022 0.000 0.899 1018 L HN 0.177 nan 8.230 nan 0.000 0.433 1019 L N -0.775 120.538 121.223 0.150 0.000 2.083 1019 L HA -0.165 4.175 4.340 -0.000 0.000 0.209 1019 L C 2.371 179.325 176.870 0.140 0.000 1.083 1019 L CA 1.631 56.611 54.840 0.233 0.000 0.752 1019 L CB -0.741 41.430 42.059 0.186 0.000 0.899 1019 L HN 0.260 nan 8.230 nan 0.000 0.433 1020 L N -1.052 120.238 121.223 0.113 0.000 2.156 1020 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 1020 L C 2.529 179.485 176.870 0.144 0.000 1.095 1020 L CA 0.981 55.939 54.840 0.196 0.000 0.770 1020 L CB -0.461 41.684 42.059 0.143 0.000 0.914 1020 L HN 0.279 nan 8.230 nan 0.000 0.439 1021 K N 0.236 120.677 120.400 0.068 0.000 2.062 1021 K HA -0.113 4.207 4.320 -0.000 0.000 0.205 1021 K C 1.983 178.564 176.600 -0.032 0.000 1.051 1021 K CA 1.114 57.406 56.287 0.009 0.000 0.941 1021 K CB 0.155 32.647 32.500 -0.014 0.000 0.719 1021 K HN 0.065 nan 8.250 nan 0.000 0.440 1022 V N 0.594 120.521 119.914 0.023 0.000 2.453 1022 V HA -0.114 4.005 4.120 -0.000 0.000 0.247 1022 V C 2.374 178.500 176.094 0.053 0.000 1.048 1022 V CA 1.971 64.297 62.300 0.043 0.000 1.049 1022 V CB -0.673 31.212 31.823 0.104 0.000 0.672 1022 V HN 0.573 nan 8.190 nan 0.000 0.457 1023 G N -0.186 108.648 108.800 0.056 0.000 2.422 1023 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.218 1023 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.218 1023 G C 1.476 175.785 174.900 -0.984 0.000 1.146 1023 G CA 1.056 45.972 45.100 -0.306 0.000 0.769 1023 G HN 0.533 nan 8.290 nan 0.000 0.547 1024 E N 0.538 120.165 120.200 -0.956 0.000 2.085 1024 E HA -0.159 4.190 4.350 -0.000 0.000 0.194 1024 E C 2.289 178.602 176.600 -0.479 0.000 0.994 1024 E CA 1.626 57.515 56.400 -0.852 0.000 0.801 1024 E CB -0.220 29.306 29.700 -0.291 0.000 0.743 1024 E HN 0.438 nan 8.360 nan 0.000 0.453 1025 E N 0.246 120.263 120.200 -0.305 0.000 2.047 1025 E HA -0.098 4.251 4.350 -0.000 0.000 0.191 1025 E C 1.988 178.441 176.600 -0.244 0.000 0.987 1025 E CA 1.450 57.726 56.400 -0.206 0.000 0.799 1025 E CB -0.385 29.237 29.700 -0.129 0.000 0.752 1025 E HN 0.443 nan 8.360 nan 0.000 0.449 1026 I N 0.361 120.783 120.570 -0.247 0.000 2.361 1026 I HA -0.247 3.923 4.170 -0.000 0.000 0.251 1026 I C 2.250 178.122 176.117 -0.409 0.000 1.133 1026 I CA 1.158 62.283 61.300 -0.292 0.000 1.413 1026 I CB -0.287 37.666 38.000 -0.079 0.000 1.073 1026 I HN 0.095 nan 8.210 nan 0.000 0.424 1027 K N 1.558 121.728 120.400 -0.383 0.000 2.057 1027 K HA -0.195 4.124 4.320 -0.000 0.000 0.207 1027 K C 2.194 178.647 176.600 -0.244 0.000 1.049 1027 K CA 1.484 57.594 56.287 -0.295 0.000 0.931 1027 K CB -0.319 31.977 32.500 -0.340 0.000 0.714 1027 K HN 0.088 nan 8.250 nan 0.000 0.440 1028 R N 0.088 120.443 120.500 -0.242 0.000 2.083 1028 R HA -0.091 4.248 4.340 -0.000 0.000 0.237 1028 R C 2.221 178.413 176.300 -0.180 0.000 1.137 1028 R CA 1.752 57.750 56.100 -0.170 0.000 0.951 1028 R CB -0.367 29.849 30.300 -0.141 0.000 0.851 1028 R HN 0.238 nan 8.270 nan 0.000 0.434 1029 L N 0.595 121.667 121.223 -0.252 0.000 2.046 1029 L HA -0.165 4.174 4.340 -0.000 0.000 0.208 1029 L C 2.664 179.353 176.870 -0.301 0.000 1.077 1029 L CA 1.607 56.320 54.840 -0.213 0.000 0.747 1029 L CB -0.495 41.347 42.059 -0.362 0.000 0.896 1029 L HN 0.364 nan 8.230 nan 0.000 0.432 1030 S N -0.957 114.377 115.700 -0.611 0.000 2.399 1030 S HA -0.152 4.318 4.470 -0.000 0.000 0.231 1030 S C 1.783 176.414 174.600 0.051 0.000 1.022 1030 S CA 0.871 58.947 58.200 -0.206 0.000 0.983 1030 S CB -0.248 62.875 63.200 -0.127 0.000 0.803 1030 S HN 0.384 nan 8.310 nan 0.000 0.480 1031 E N 1.588 121.762 120.200 -0.042 0.000 2.112 1031 E HA 0.015 4.365 4.350 -0.000 0.000 0.190 1031 E C 1.995 178.564 176.600 -0.051 0.000 0.979 1031 E CA 0.798 57.185 56.400 -0.022 0.000 0.814 1031 E CB -0.269 29.403 29.700 -0.047 0.000 0.762 1031 E HN 0.704 nan 8.360 nan 0.000 0.460 1032 K N -0.108 120.215 120.400 -0.127 0.000 2.062 1032 K HA -0.034 4.286 4.320 -0.000 0.000 0.205 1032 K C 0.182 176.542 176.600 -0.400 0.000 1.051 1032 K CA 0.669 56.759 56.287 -0.329 0.000 0.941 1032 K CB 0.095 32.278 32.500 -0.528 0.000 0.719 1032 K HN -0.043 nan 8.250 nan 0.000 0.440 1033 F N 1.635 121.668 119.950 0.139 0.000 2.387 1033 F HA 0.301 4.828 4.527 -0.000 0.000 0.332 1033 F C 0.640 176.574 175.800 0.222 0.000 1.174 1033 F CA -0.644 57.473 58.000 0.196 0.000 1.257 1033 F CB 1.057 40.232 39.000 0.291 0.000 1.569 1033 F HN -0.165 nan 8.300 nan 0.000 0.554 1034 K N 0.768 121.312 120.400 0.241 0.000 2.442 1034 K HA -0.153 4.167 4.320 -0.000 0.000 0.198 1034 K C 1.798 178.509 176.600 0.185 0.000 1.044 1034 K CA 1.049 57.452 56.287 0.195 0.000 0.948 1034 K CB 0.074 32.640 32.500 0.110 0.000 0.762 1034 K HN 0.522 nan 8.250 nan 0.000 0.472 1035 E N 0.577 120.895 120.200 0.196 0.000 2.489 1035 E HA -0.016 4.334 4.350 -0.000 0.000 0.193 1035 E C 0.162 176.845 176.600 0.137 0.000 1.057 1035 E CA 0.243 56.731 56.400 0.148 0.000 0.866 1035 E CB 0.161 29.939 29.700 0.130 0.000 0.916 1035 E HN -0.085 nan 8.360 nan 0.000 0.500 1036 V N 1.669 121.675 119.914 0.152 0.000 2.547 1036 V HA 0.206 4.326 4.120 -0.000 0.000 0.299 1036 V C -0.053 176.015 176.094 -0.043 0.000 1.040 1036 V CA -0.801 61.497 62.300 -0.004 0.000 0.913 1036 V CB 1.749 33.430 31.823 -0.237 0.000 0.992 1036 V HN 0.150 nan 8.190 nan 0.000 0.449 1037 E N 3.288 123.419 120.200 -0.115 0.000 2.081 1037 E HA 0.388 4.737 4.350 -0.000 0.000 0.281 1037 E C -1.501 175.001 176.600 -0.163 0.000 0.986 1037 E CA -0.440 55.936 56.400 -0.040 0.000 0.796 1037 E CB 0.644 30.340 29.700 -0.008 0.000 1.085 1037 E HN 0.504 nan 8.360 nan 0.000 0.398 1038 F N 3.025 123.006 119.950 0.052 0.000 2.385 1038 F HA 0.341 4.868 4.527 -0.000 0.000 0.336 1038 F C -0.016 175.799 175.800 0.026 0.000 1.100 1038 F CA -0.606 57.414 58.000 0.033 0.000 1.116 1038 F CB 1.543 40.576 39.000 0.056 0.000 1.166 1038 F HN 0.134 nan 8.300 nan 0.000 0.511 1039 V N 4.327 124.340 119.914 0.164 0.000 2.525 1039 V HA 0.232 4.351 4.120 -0.000 0.000 0.299 1039 V C -0.796 175.363 176.094 0.108 0.000 1.034 1039 V CA -1.041 61.322 62.300 0.105 0.000 0.863 1039 V CB 1.639 33.456 31.823 -0.011 0.000 0.999 1039 V HN 0.563 nan 8.190 nan 0.000 0.423 1040 F N 5.795 125.758 119.950 0.022 0.000 2.438 1040 F HA 0.530 5.056 4.527 -0.000 0.000 0.356 1040 F C 0.262 176.045 175.800 -0.028 0.000 1.099 1040 F CA 0.237 58.235 58.000 -0.004 0.000 1.185 1040 F CB 0.511 39.525 39.000 0.022 0.000 1.115 1040 F HN 0.394 nan 8.300 nan 0.000 0.526 1041 K N 4.683 124.780 120.400 -0.505 0.000 2.316 1041 K HA 0.598 4.918 4.320 -0.000 0.000 0.251 1041 K C -1.688 174.717 176.600 -0.326 0.000 0.934 1041 K CA -0.486 55.626 56.287 -0.292 0.000 0.802 1041 K CB 1.883 34.168 32.500 -0.357 0.000 1.171 1041 K HN 0.681 nan 8.250 nan 0.000 0.426 1042 S N 1.229 116.919 115.700 -0.017 0.000 2.583 1042 S HA 0.261 4.731 4.470 -0.000 0.000 0.294 1042 S C -1.700 172.992 174.600 0.152 0.000 1.121 1042 S CA -0.549 57.693 58.200 0.070 0.000 0.910 1042 S CB 0.966 64.277 63.200 0.185 0.000 1.102 1042 S HN 0.530 nan 8.310 nan 0.000 0.451 1043 S N 3.655 119.428 115.700 0.122 0.000 2.523 1043 S HA 0.333 4.803 4.470 -0.000 0.000 0.275 1043 S C 0.857 175.524 174.600 0.111 0.000 1.281 1043 S CA -0.545 57.690 58.200 0.059 0.000 1.050 1043 S CB 0.176 63.380 63.200 0.006 0.000 0.937 1043 S HN 0.702 nan 8.310 nan 0.000 0.492 1044 F N 0.274 120.323 119.950 0.165 0.000 2.780 1044 F HA 0.448 4.975 4.527 -0.000 0.000 0.299 1044 F C 0.347 176.211 175.800 0.106 0.000 1.146 1044 F CA -0.403 57.697 58.000 0.166 0.000 1.428 1044 F CB 0.016 39.110 39.000 0.157 0.000 1.115 1044 F HN 0.437 nan 8.300 nan 0.000 0.583 1045 D N 0.382 120.539 120.400 -0.405 0.000 2.937 1045 D HA 0.219 4.859 4.640 -0.000 0.000 0.215 1045 D C -1.535 174.540 176.300 -0.375 0.000 1.274 1045 D CA -0.620 53.173 54.000 -0.344 0.000 0.869 1045 D CB 1.316 41.913 40.800 -0.338 0.000 1.675 1045 D HN -0.162 nan 8.370 nan 0.000 0.538 1046 K N 2.907 123.132 120.400 -0.291 0.000 2.244 1046 K HA 0.549 4.869 4.320 -0.000 0.000 0.263 1046 K C 0.367 176.784 176.600 -0.305 0.000 1.103 1046 K CA -0.378 55.771 56.287 -0.230 0.000 0.966 1046 K CB 1.038 33.481 32.500 -0.096 0.000 1.429 1046 K HN 0.449 nan 8.250 nan 0.000 0.434 1047 A N 2.758 125.277 122.820 -0.503 0.000 2.208 1047 A HA -0.079 4.240 4.320 -0.000 0.000 0.209 1047 A C 1.054 178.532 177.584 -0.177 0.000 1.161 1047 A CA 0.630 52.418 52.037 -0.415 0.000 0.782 1047 A CB -0.501 18.073 19.000 -0.710 0.000 0.816 1047 A HN 0.811 nan 8.150 nan 0.000 0.477 1048 N N -1.259 117.381 118.700 -0.100 0.000 2.338 1048 N HA 0.121 4.861 4.740 -0.000 0.000 0.251 1048 N C -0.256 175.292 175.510 0.064 0.000 1.199 1048 N CA -0.724 52.353 53.050 0.047 0.000 0.879 1048 N CB 0.442 39.039 38.487 0.183 0.000 1.159 1048 N HN -0.066 nan 8.380 nan 0.000 0.514 1049 R N 0.615 121.118 120.500 0.005 0.000 2.756 1049 R HA 0.070 4.410 4.340 -0.000 0.000 0.264 1049 R C 0.961 177.282 176.300 0.035 0.000 1.026 1049 R CA 0.067 56.182 56.100 0.024 0.000 1.121 1049 R CB 0.505 30.805 30.300 0.000 0.000 0.999 1049 R HN 0.211 nan 8.270 nan 0.000 0.449 1050 S N 0.309 116.038 115.700 0.048 0.000 2.368 1050 S HA -0.092 4.378 4.470 -0.000 0.000 0.224 1050 S C 1.041 175.645 174.600 0.006 0.000 1.029 1050 S CA 1.035 59.257 58.200 0.037 0.000 0.988 1050 S CB 0.048 63.277 63.200 0.047 0.000 0.838 1050 S HN 0.644 nan 8.310 nan 0.000 0.462 1051 S N -0.077 115.626 115.700 0.006 0.000 2.509 1051 S HA 0.422 4.891 4.470 -0.000 0.000 0.297 1051 S C 0.586 175.138 174.600 -0.080 0.000 1.118 1051 S CA -0.728 57.457 58.200 -0.024 0.000 1.074 1051 S CB 1.072 64.296 63.200 0.040 0.000 1.038 1051 S HN 0.171 nan 8.310 nan 0.000 0.498 1052 I N 3.796 124.243 120.570 -0.205 0.000 2.916 1052 I HA 0.019 4.189 4.170 -0.000 0.000 0.267 1052 I C 1.211 177.183 176.117 -0.242 0.000 1.263 1052 I CA 1.635 62.787 61.300 -0.247 0.000 1.471 1052 I CB -0.254 37.550 38.000 -0.326 0.000 1.089 1052 I HN 0.836 nan 8.210 nan 0.000 0.468 1053 H N -1.450 117.626 119.070 0.009 0.000 2.553 1053 H HA 0.299 4.855 4.556 -0.000 0.000 0.265 1053 H C 1.096 176.443 175.328 0.033 0.000 0.964 1053 H CA -0.052 56.007 56.048 0.018 0.000 1.156 1053 H CB 0.122 29.895 29.762 0.020 0.000 1.411 1053 H HN 0.177 nan 8.280 nan 0.000 0.558 1054 S N 0.598 116.364 115.700 0.109 0.000 2.617 1054 S HA 0.074 4.544 4.470 -0.000 0.000 0.269 1054 S C -0.208 174.456 174.600 0.106 0.000 1.292 1054 S CA -0.768 57.499 58.200 0.113 0.000 1.010 1054 S CB 0.673 63.924 63.200 0.085 0.000 0.944 1054 S HN 0.229 nan 8.310 nan 0.000 0.536 1055 F N 1.760 121.712 119.950 0.003 0.000 2.572 1055 F HA 0.160 4.687 4.527 -0.001 0.000 0.370 1055 F C 1.294 177.067 175.800 -0.045 0.000 1.103 1055 F CA 0.426 58.411 58.000 -0.023 0.000 1.286 1055 F CB 0.429 39.414 39.000 -0.025 0.000 1.105 1055 F HN 0.564 nan 8.300 nan 0.000 0.583 1056 R N 2.785 122.733 120.500 -0.919 0.000 2.197 1056 R HA 0.482 4.821 4.340 -0.000 0.000 0.188 1056 R C 0.366 176.087 176.300 -0.965 0.000 1.015 1056 R CA 0.117 55.811 56.100 -0.677 0.000 1.132 1056 R CB 0.405 30.468 30.300 -0.394 0.000 1.134 1056 R HN 0.876 nan 8.270 nan 0.000 0.560 1057 G N -0.935 107.044 108.800 -1.367 0.000 2.341 1057 G HA2 -0.001 3.959 3.960 -0.000 0.000 0.293 1057 G HA3 -0.001 3.959 3.960 -0.000 0.000 0.293 1057 G C -1.224 173.326 174.900 -0.584 0.000 1.298 1057 G CA -0.846 43.709 45.100 -0.908 0.000 0.868 1057 G HN 0.331 nan 8.290 nan 0.000 0.540 1058 H N -0.054 119.034 119.070 0.031 0.000 2.505 1058 H HA 0.505 5.061 4.556 -0.000 0.000 0.286 1058 H C 1.126 176.504 175.328 0.084 0.000 1.072 1058 H CA 0.701 56.737 56.048 -0.021 0.000 1.141 1058 H CB 0.678 30.270 29.762 -0.284 0.000 1.550 1058 H HN 1.593 nan 8.280 nan 0.000 0.547 1059 G N 0.380 109.321 108.800 0.235 0.000 2.663 1059 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.686 1059 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.686 1059 G C 0.108 175.184 174.900 0.292 0.000 1.246 1059 G CA -0.359 44.898 45.100 0.262 0.000 0.795 1059 G HN 0.174 nan 8.290 nan 0.000 0.627 1060 L N 0.850 122.162 121.223 0.149 0.000 2.017 1060 L HA 0.078 4.417 4.340 -0.000 0.000 0.208 1060 L C 2.627 179.418 176.870 -0.132 0.000 1.073 1060 L CA 3.112 57.779 54.840 -0.289 0.000 0.745 1060 L CB -0.781 41.044 42.059 -0.390 0.000 0.894 1060 L HN 0.965 nan 8.230 nan 0.000 0.432 1061 E N -1.572 118.641 120.200 0.023 0.000 2.049 1061 E HA -0.355 3.994 4.350 -0.000 0.000 0.198 1061 E C 2.319 178.968 176.600 0.083 0.000 1.007 1061 E CA 1.985 58.412 56.400 0.046 0.000 0.809 1061 E CB -0.567 29.184 29.700 0.084 0.000 0.749 1061 E HN 0.608 nan 8.360 nan 0.000 0.450 1062 Y N 0.476 120.808 120.300 0.054 0.000 2.181 1062 Y HA -0.079 4.471 4.550 -0.000 0.000 0.288 1062 Y C 2.142 178.104 175.900 0.104 0.000 1.146 1062 Y CA 2.044 60.195 58.100 0.086 0.000 1.164 1062 Y CB -0.619 37.925 38.460 0.140 0.000 0.982 1062 Y HN 0.149 nan 8.280 nan 0.000 0.515 1063 G N -0.691 108.263 108.800 0.257 0.000 2.404 1063 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.215 1063 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.215 1063 G C 1.683 176.617 174.900 0.056 0.000 1.174 1063 G CA 1.247 46.483 45.100 0.226 0.000 0.780 1063 G HN 0.344 nan 8.290 nan 0.000 0.537 1064 V N 0.798 120.690 119.914 -0.037 0.000 2.407 1064 V HA -0.154 3.966 4.120 -0.000 0.000 0.248 1064 V C 2.669 178.724 176.094 -0.065 0.000 1.055 1064 V CA 2.247 64.512 62.300 -0.059 0.000 1.049 1064 V CB -0.337 31.426 31.823 -0.100 0.000 0.662 1064 V HN 0.448 nan 8.190 nan 0.000 0.455 1065 K N 0.247 120.586 120.400 -0.102 0.000 2.057 1065 K HA -0.130 4.189 4.320 -0.000 0.000 0.206 1065 K C 2.196 178.690 176.600 -0.177 0.000 1.050 1065 K CA 1.438 57.642 56.287 -0.139 0.000 0.935 1065 K CB -0.294 32.104 32.500 -0.170 0.000 0.715 1065 K HN 0.416 nan 8.250 nan 0.000 0.439 1066 A N 1.195 123.873 122.820 -0.236 0.000 1.898 1066 A HA -0.094 4.226 4.320 -0.000 0.000 0.216 1066 A C 2.079 179.604 177.584 -0.099 0.000 1.181 1066 A CA 1.173 53.092 52.037 -0.198 0.000 0.620 1066 A CB -0.536 18.354 19.000 -0.185 0.000 0.819 1066 A HN 0.312 nan 8.150 nan 0.000 0.442 1067 L N -1.143 120.057 121.223 -0.039 0.000 2.093 1067 L HA -0.115 4.224 4.340 -0.000 0.000 0.208 1067 L C 2.736 179.564 176.870 -0.070 0.000 1.085 1067 L CA 1.505 56.333 54.840 -0.019 0.000 0.755 1067 L CB -0.404 41.700 42.059 0.075 0.000 0.904 1067 L HN 0.457 nan 8.230 nan 0.000 0.435 1068 R N 0.644 121.102 120.500 -0.070 0.000 2.115 1068 R HA -0.212 4.127 4.340 -0.000 0.000 0.230 1068 R C 2.270 178.503 176.300 -0.111 0.000 1.111 1068 R CA 1.387 57.441 56.100 -0.075 0.000 0.976 1068 R CB 0.044 30.303 30.300 -0.067 0.000 0.870 1068 R HN 0.057 nan 8.270 nan 0.000 0.445 1069 K N 0.036 120.355 120.400 -0.135 0.000 2.026 1069 K HA -0.082 4.238 4.320 -0.000 0.000 0.208 1069 K C 1.825 178.293 176.600 -0.220 0.000 1.048 1069 K CA 1.590 57.775 56.287 -0.169 0.000 0.929 1069 K CB -0.278 32.125 32.500 -0.161 0.000 0.713 1069 K HN 0.030 nan 8.250 nan 0.000 0.439 1070 V N 1.291 121.079 119.914 -0.211 0.000 2.287 1070 V HA -0.288 3.832 4.120 -0.000 0.000 0.248 1070 V C 2.409 178.414 176.094 -0.148 0.000 1.053 1070 V CA 2.258 64.427 62.300 -0.218 0.000 1.027 1070 V CB -0.514 31.002 31.823 -0.512 0.000 0.646 1070 V HN 0.451 nan 8.190 nan 0.000 0.447 1071 K N -0.010 120.314 120.400 -0.126 0.000 2.057 1071 K HA -0.258 4.062 4.320 -0.000 0.000 0.207 1071 K C 2.213 178.765 176.600 -0.080 0.000 1.049 1071 K CA 2.113 58.363 56.287 -0.062 0.000 0.931 1071 K CB -0.160 32.318 32.500 -0.036 0.000 0.714 1071 K HN 0.572 nan 8.250 nan 0.000 0.440 1072 E N 0.301 120.426 120.200 -0.125 0.000 2.046 1072 E HA -0.210 4.139 4.350 -0.000 0.000 0.190 1072 E C 1.909 178.387 176.600 -0.205 0.000 0.982 1072 E CA 1.214 57.533 56.400 -0.135 0.000 0.800 1072 E CB 0.098 29.719 29.700 -0.131 0.000 0.756 1072 E HN 0.384 nan 8.360 nan 0.000 0.449 1073 E N -1.167 118.817 120.200 -0.359 0.000 2.107 1073 E HA -0.125 4.224 4.350 -0.000 0.000 0.191 1073 E C 0.851 177.044 176.600 -0.679 0.000 0.982 1073 E CA 0.916 56.945 56.400 -0.619 0.000 0.809 1073 E CB 0.155 29.271 29.700 -0.973 0.000 0.756 1073 E HN 0.239 nan 8.360 nan 0.000 0.459 1074 F N -1.416 118.480 119.950 -0.090 0.000 2.706 1074 F HA 0.374 4.901 4.527 -0.000 0.000 0.313 1074 F C 1.304 177.073 175.800 -0.052 0.000 1.096 1074 F CA 0.291 58.246 58.000 -0.076 0.000 1.219 1074 F CB 1.039 39.978 39.000 -0.101 0.000 1.051 1074 F HN 0.075 nan 8.300 nan 0.000 0.568 1075 G N 1.257 110.099 108.800 0.070 0.000 2.179 1075 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.257 1075 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.257 1075 G C -0.075 174.874 174.900 0.081 0.000 1.010 1075 G CA -0.085 45.048 45.100 0.056 0.000 0.736 1075 G HN 0.143 nan 8.290 nan 0.000 0.513 1076 L N 0.305 121.588 121.223 0.099 0.000 2.418 1076 L HA 0.477 4.817 4.340 -0.000 0.000 0.265 1076 L C 1.068 178.000 176.870 0.104 0.000 1.143 1076 L CA -0.572 54.337 54.840 0.116 0.000 0.809 1076 L CB 0.727 42.867 42.059 0.136 0.000 1.124 1076 L HN 0.028 nan 8.230 nan 0.000 0.456 1077 K N 2.435 122.910 120.400 0.125 0.000 2.258 1077 K HA 0.401 4.720 4.320 -0.000 0.000 0.264 1077 K C -0.604 176.076 176.600 0.134 0.000 1.007 1077 K CA -0.366 55.984 56.287 0.106 0.000 0.941 1077 K CB 1.059 33.616 32.500 0.095 0.000 0.966 1077 K HN 0.295 nan 8.250 nan 0.000 0.480 1078 I N 0.793 121.430 120.570 0.111 0.000 2.608 1078 I HA 0.268 4.438 4.170 -0.000 0.000 0.295 1078 I C 0.183 176.366 176.117 0.109 0.000 1.049 1078 I CA -0.451 60.936 61.300 0.145 0.000 1.063 1078 I CB 1.840 39.912 38.000 0.119 0.000 1.248 1078 I HN 0.490 nan 8.210 nan 0.000 0.424 1079 T N 3.374 118.000 114.554 0.120 0.000 2.933 1079 T HA 0.669 5.019 4.350 -0.000 0.000 0.305 1079 T C -0.973 173.788 174.700 0.102 0.000 1.092 1079 T CA -0.218 61.929 62.100 0.079 0.000 1.008 1079 T CB 1.581 70.466 68.868 0.028 0.000 1.102 1079 T HN 0.824 nan 8.240 nan 0.000 0.469 1080 T N 2.399 117.014 114.554 0.101 0.000 2.853 1080 T HA 0.547 4.897 4.350 -0.000 0.000 0.311 1080 T C -1.957 172.774 174.700 0.052 0.000 1.307 1080 T CA -0.724 61.448 62.100 0.120 0.000 1.019 1080 T CB 1.454 70.467 68.868 0.242 0.000 1.264 1080 T HN 0.799 nan 8.240 nan 0.000 0.497 1081 D N 2.508 122.883 120.400 -0.042 0.000 2.229 1081 D HA 0.542 5.182 4.640 -0.000 0.000 0.249 1081 D C 0.297 176.337 176.300 -0.433 0.000 1.027 1081 D CA -0.645 53.230 54.000 -0.207 0.000 0.923 1081 D CB 0.989 41.650 40.800 -0.231 0.000 1.174 1081 D HN 0.770 nan 8.370 nan 0.000 0.443 1082 I N -2.833 117.440 120.570 -0.495 0.000 2.863 1082 I HA 0.433 4.603 4.170 -0.000 0.000 0.311 1082 I C -0.050 175.566 176.117 -0.835 0.000 1.026 1082 I CA -0.890 60.089 61.300 -0.536 0.000 1.077 1082 I CB 2.271 40.145 38.000 -0.210 0.000 1.262 1082 I HN 0.341 nan 8.210 nan 0.000 0.461 1083 H N 0.997 119.997 119.070 -0.116 0.000 3.457 1083 H HA 0.451 5.007 4.556 -0.000 0.000 0.255 1083 H C -0.498 174.788 175.328 -0.070 0.000 1.082 1083 H CA -0.050 55.944 56.048 -0.089 0.000 1.189 1083 H CB 1.242 30.949 29.762 -0.091 0.000 1.511 1083 H HN 0.649 nan 8.280 nan 0.000 0.527 1084 E N 0.233 120.383 120.200 -0.084 0.000 2.343 1084 E HA 0.255 4.605 4.350 -0.000 0.000 0.278 1084 E C 0.062 176.546 176.600 -0.192 0.000 0.910 1084 E CA -0.354 56.002 56.400 -0.074 0.000 0.757 1084 E CB 2.725 32.456 29.700 0.052 0.000 1.218 1084 E HN -0.152 nan 8.360 nan 0.000 0.435 1085 S N 1.675 117.363 115.700 -0.019 0.000 2.389 1085 S HA -0.190 4.280 4.470 -0.000 0.000 0.231 1085 S C 1.546 176.160 174.600 0.024 0.000 1.052 1085 S CA 1.952 60.161 58.200 0.014 0.000 1.053 1085 S CB -0.265 62.988 63.200 0.089 0.000 0.886 1085 S HN 0.742 nan 8.310 nan 0.000 0.456 1086 W N 1.708 123.042 121.300 0.056 0.000 2.468 1086 W HA -0.087 4.573 4.660 -0.000 0.000 0.262 1086 W C 1.204 177.753 176.519 0.050 0.000 1.241 1086 W CA 0.735 58.109 57.345 0.048 0.000 1.232 1086 W CB -0.806 28.680 29.460 0.045 0.000 1.124 1086 W HN 0.417 nan 8.180 nan 0.000 0.597 1087 Q N 0.884 120.284 119.800 -0.667 0.000 2.311 1087 Q HA 0.019 4.359 4.340 -0.000 0.000 0.203 1087 Q C 2.699 178.570 176.000 -0.215 0.000 0.954 1087 Q CA 1.197 56.624 55.803 -0.627 0.000 0.885 1087 Q CB -0.270 28.021 28.738 -0.745 0.000 0.963 1087 Q HN 0.308 nan 8.270 nan 0.000 0.471 1088 A N 1.716 124.461 122.820 -0.125 0.000 1.865 1088 A HA -0.292 4.028 4.320 -0.000 0.000 0.217 1088 A C 1.939 179.514 177.584 -0.014 0.000 1.191 1088 A CA 1.745 53.752 52.037 -0.049 0.000 0.623 1088 A CB -0.508 18.480 19.000 -0.021 0.000 0.826 1088 A HN 0.386 nan 8.150 nan 0.000 0.444 1089 E N -0.613 119.596 120.200 0.016 0.000 2.023 1089 E HA -0.156 4.193 4.350 -0.000 0.000 0.196 1089 E C -0.469 176.143 176.600 0.019 0.000 1.003 1089 E CA 1.499 57.917 56.400 0.031 0.000 0.809 1089 E CB -0.592 29.143 29.700 0.058 0.000 0.755 1089 E HN 0.509 nan 8.360 nan 0.000 0.449 1090 P HA -0.121 nan 4.420 nan 0.000 0.217 1090 P C 1.561 178.836 177.300 -0.042 0.000 1.150 1090 P CA 1.049 64.150 63.100 0.001 0.000 0.832 1090 P CB 0.008 31.724 31.700 0.026 0.000 0.787 1091 V N 0.875 120.750 119.914 -0.066 0.000 2.515 1091 V HA -0.174 3.946 4.120 -0.000 0.000 0.250 1091 V C 2.799 178.887 176.094 -0.009 0.000 1.058 1091 V CA 1.917 64.184 62.300 -0.055 0.000 1.064 1091 V CB -1.646 30.163 31.823 -0.024 0.000 0.675 1091 V HN 0.103 nan 8.190 nan 0.000 0.461 1092 A N -0.566 122.253 122.820 -0.001 0.000 2.125 1092 A HA -0.177 4.143 4.320 -0.000 0.000 0.219 1092 A C 2.125 179.715 177.584 0.011 0.000 1.156 1092 A CA 1.280 53.324 52.037 0.011 0.000 0.671 1092 A CB -0.334 18.675 19.000 0.014 0.000 0.794 1092 A HN 0.521 nan 8.150 nan 0.000 0.459 1093 E N -0.807 119.395 120.200 0.003 0.000 2.153 1093 E HA -0.107 4.243 4.350 -0.000 0.000 0.194 1093 E C 1.793 178.394 176.600 0.002 0.000 0.988 1093 E CA 1.446 57.846 56.400 0.001 0.000 0.811 1093 E CB -0.146 29.550 29.700 -0.006 0.000 0.746 1093 E HN 0.444 nan 8.360 nan 0.000 0.466 1094 V N -0.515 119.402 119.914 0.004 0.000 3.484 1094 V HA 0.329 4.449 4.120 -0.000 0.000 0.252 1094 V C 0.289 176.401 176.094 0.030 0.000 1.282 1094 V CA 0.525 62.831 62.300 0.010 0.000 1.104 1094 V CB 0.598 32.422 31.823 0.002 0.000 0.868 1094 V HN 0.081 nan 8.190 nan 0.000 0.457 1095 A N 0.389 123.231 122.820 0.037 0.000 2.362 1095 A HA 0.315 4.634 4.320 -0.000 0.000 0.276 1095 A C 0.745 178.357 177.584 0.047 0.000 1.153 1095 A CA 0.151 52.219 52.037 0.053 0.000 0.813 1095 A CB 0.074 19.109 19.000 0.058 0.000 1.081 1095 A HN 0.499 nan 8.150 nan 0.000 0.507 1096 D N 1.426 121.858 120.400 0.053 0.000 2.271 1096 D HA 0.103 4.743 4.640 -0.000 0.000 0.206 1096 D C 0.051 176.385 176.300 0.056 0.000 0.967 1096 D CA 1.339 55.370 54.000 0.053 0.000 0.867 1096 D CB 0.315 41.148 40.800 0.056 0.000 0.960 1096 D HN 0.554 nan 8.370 nan 0.000 0.509 1097 I N 1.499 122.097 120.570 0.047 0.000 2.534 1097 I HA 0.269 4.439 4.170 -0.000 0.000 0.288 1097 I C -0.572 175.568 176.117 0.040 0.000 1.077 1097 I CA -0.600 60.727 61.300 0.044 0.000 1.051 1097 I CB 2.834 40.828 38.000 -0.011 0.000 1.234 1097 I HN -0.309 nan 8.210 nan 0.000 0.425 1098 I N 5.650 126.245 120.570 0.042 0.000 2.315 1098 I HA 0.226 4.396 4.170 -0.000 0.000 0.291 1098 I C 0.117 176.240 176.117 0.009 0.000 1.006 1098 I CA -0.266 61.049 61.300 0.024 0.000 1.265 1098 I CB 1.358 39.369 38.000 0.018 0.000 1.387 1098 I HN 0.596 nan 8.210 nan 0.000 0.475 1099 Q N 6.718 126.511 119.800 -0.013 0.000 2.243 1099 Q HA 0.410 4.749 4.340 -0.000 0.000 0.252 1099 Q C -1.158 174.788 176.000 -0.090 0.000 0.909 1099 Q CA -0.679 55.100 55.803 -0.039 0.000 0.922 1099 Q CB 1.412 30.136 28.738 -0.024 0.000 1.215 1099 Q HN 0.488 nan 8.270 nan 0.000 0.427 1100 I N 6.470 126.989 120.570 -0.086 0.000 2.330 1100 I HA 0.341 4.511 4.170 -0.000 0.000 0.289 1100 I C -2.192 173.851 176.117 -0.123 0.000 1.001 1100 I CA -2.599 58.643 61.300 -0.097 0.000 1.193 1100 I CB 0.922 38.890 38.000 -0.054 0.000 1.345 1100 I HN 0.547 nan 8.210 nan 0.000 0.461 1101 P HA 0.036 nan 4.420 nan 0.000 0.267 1101 P C 0.687 177.898 177.300 -0.149 0.000 1.200 1101 P CA 0.153 63.162 63.100 -0.152 0.000 0.772 1101 P CB 0.889 32.552 31.700 -0.062 0.000 0.855 1102 A N 2.654 125.309 122.820 -0.275 0.000 1.892 1102 A HA -0.229 4.091 4.320 -0.000 0.000 0.218 1102 A C 1.655 179.231 177.584 -0.012 0.000 1.188 1102 A CA 1.821 53.699 52.037 -0.264 0.000 0.631 1102 A CB -1.633 17.108 19.000 -0.432 0.000 0.822 1102 A HN 0.514 nan 8.150 nan 0.000 0.447 1103 F N -0.405 119.580 119.950 0.058 0.000 2.451 1103 F HA 0.053 4.579 4.527 -0.001 0.000 0.299 1103 F C 1.516 177.433 175.800 0.196 0.000 1.101 1103 F CA 0.372 58.497 58.000 0.208 0.000 1.436 1103 F CB -0.497 38.576 39.000 0.123 0.000 1.074 1103 F HN 0.107 nan 8.300 nan 0.000 0.553 1104 L N -0.670 120.713 121.223 0.268 0.000 2.769 1104 L HA 0.111 4.450 4.340 -0.000 0.000 0.240 1104 L C 1.880 178.824 176.870 0.123 0.000 1.163 1104 L CA -0.066 54.878 54.840 0.173 0.000 0.962 1104 L CB -0.654 41.471 42.059 0.109 0.000 1.258 1104 L HN 0.201 nan 8.230 nan 0.000 0.513 1105 C N -1.310 118.067 119.300 0.129 0.000 2.430 1105 C HA -0.019 4.441 4.460 -0.000 0.000 0.288 1105 C C 2.182 177.224 174.990 0.087 0.000 1.448 1105 C CA 0.053 59.107 59.018 0.060 0.000 1.784 1105 C CB -0.944 26.784 27.740 -0.019 0.000 1.776 1105 C HN 0.478 nan 8.230 nan 0.000 0.547 1106 R N -0.104 120.484 120.500 0.145 0.000 2.397 1106 R HA 0.147 4.487 4.340 -0.000 0.000 0.241 1106 R C 0.095 176.427 176.300 0.054 0.000 0.914 1106 R CA 0.001 56.162 56.100 0.101 0.000 1.071 1106 R CB -0.017 30.365 30.300 0.137 0.000 1.116 1106 R HN 0.568 nan 8.270 nan 0.000 0.524 1107 Q N 1.309 121.143 119.800 0.057 0.000 2.381 1107 Q HA 0.075 4.415 4.340 -0.000 0.000 0.243 1107 Q C 0.795 176.810 176.000 0.024 0.000 1.154 1107 Q CA 0.281 56.106 55.803 0.037 0.000 0.899 1107 Q CB 1.016 29.781 28.738 0.046 0.000 1.396 1107 Q HN 0.049 nan 8.270 nan 0.000 0.485 1108 T N 1.767 116.328 114.554 0.011 0.000 2.624 1108 T HA -0.193 4.157 4.350 -0.000 0.000 0.268 1108 T C 0.934 175.646 174.700 0.020 0.000 1.041 1108 T CA 1.814 63.915 62.100 0.002 0.000 1.159 1108 T CB 0.049 68.903 68.868 -0.024 0.000 0.863 1108 T HN 0.505 nan 8.240 nan 0.000 0.434 1109 D N 0.704 121.119 120.400 0.026 0.000 2.149 1109 D HA -0.048 4.592 4.640 -0.000 0.000 0.198 1109 D C 2.046 178.370 176.300 0.040 0.000 0.990 1109 D CA 0.577 54.602 54.000 0.041 0.000 0.839 1109 D CB -0.423 40.405 40.800 0.046 0.000 0.948 1109 D HN 0.184 nan 8.370 nan 0.000 0.460 1110 L N 0.578 121.819 121.223 0.030 0.000 2.027 1110 L HA -0.092 4.248 4.340 -0.000 0.000 0.206 1110 L C 2.273 179.151 176.870 0.014 0.000 1.074 1110 L CA 1.223 56.071 54.840 0.014 0.000 0.745 1110 L CB -0.477 41.586 42.059 0.006 0.000 0.898 1110 L HN -0.014 nan 8.230 nan 0.000 0.433 1111 L N -1.648 119.588 121.223 0.022 0.000 2.012 1111 L HA -0.249 4.090 4.340 -0.000 0.000 0.210 1111 L C 2.421 179.319 176.870 0.046 0.000 1.073 1111 L CA 0.803 55.659 54.840 0.028 0.000 0.748 1111 L CB -0.695 41.381 42.059 0.029 0.000 0.891 1111 L HN 0.257 nan 8.230 nan 0.000 0.431 1112 L N -0.096 121.164 121.223 0.062 0.000 2.046 1112 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 1112 L C 2.768 179.678 176.870 0.066 0.000 1.077 1112 L CA 2.089 56.983 54.840 0.091 0.000 0.747 1112 L CB -1.333 40.796 42.059 0.116 0.000 0.896 1112 L HN 0.197 nan 8.230 nan 0.000 0.432 1113 A N -0.887 121.963 122.820 0.051 0.000 1.902 1113 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 1113 A C 2.486 180.087 177.584 0.028 0.000 1.181 1113 A CA 1.839 53.900 52.037 0.040 0.000 0.623 1113 A CB -0.889 18.131 19.000 0.033 0.000 0.818 1113 A HN 0.405 nan 8.150 nan 0.000 0.443 1114 A N -0.154 122.678 122.820 0.020 0.000 1.877 1114 A HA 0.159 4.478 4.320 -0.000 0.000 0.216 1114 A C 2.507 180.108 177.584 0.027 0.000 1.186 1114 A CA 2.128 54.174 52.037 0.015 0.000 0.620 1114 A CB -1.029 17.976 19.000 0.008 0.000 0.822 1114 A HN 1.082 nan 8.150 nan 0.000 0.443 1115 A N -0.467 122.375 122.820 0.036 0.000 1.969 1115 A HA -0.139 4.181 4.320 -0.000 0.000 0.218 1115 A C 2.096 179.696 177.584 0.028 0.000 1.169 1115 A CA 1.867 53.926 52.037 0.037 0.000 0.635 1115 A CB -0.425 18.604 19.000 0.048 0.000 0.810 1115 A HN 0.535 nan 8.150 nan 0.000 0.445 1116 K N -0.022 120.396 120.400 0.029 0.000 2.280 1116 K HA -0.136 4.184 4.320 -0.000 0.000 0.202 1116 K C 1.895 178.506 176.600 0.019 0.000 1.047 1116 K CA 1.690 57.990 56.287 0.021 0.000 0.942 1116 K CB -0.258 32.259 32.500 0.029 0.000 0.739 1116 K HN 0.672 nan 8.250 nan 0.000 0.457 1117 T N -3.423 111.144 114.554 0.022 0.000 3.035 1117 T HA 0.048 4.398 4.350 -0.000 0.000 0.268 1117 T C 1.480 176.192 174.700 0.020 0.000 1.109 1117 T CA 0.996 63.109 62.100 0.021 0.000 1.119 1117 T CB -0.108 68.773 68.868 0.021 0.000 0.900 1117 T HN 0.390 nan 8.240 nan 0.000 0.503 1118 G N 1.287 110.099 108.800 0.020 0.000 2.195 1118 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.246 1118 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.246 1118 G C 0.285 175.202 174.900 0.028 0.000 0.984 1118 G CA -0.167 44.945 45.100 0.020 0.000 0.633 1118 G HN 0.619 nan 8.290 nan 0.000 0.525 1119 R N 0.850 121.370 120.500 0.034 0.000 2.577 1119 R HA 0.724 5.064 4.340 -0.000 0.000 0.269 1119 R C 0.890 177.226 176.300 0.060 0.000 1.084 1119 R CA 0.190 56.317 56.100 0.045 0.000 1.163 1119 R CB 0.214 30.540 30.300 0.043 0.000 1.100 1119 R HN 0.715 nan 8.270 nan 0.000 0.547 1120 A N 1.063 123.934 122.820 0.085 0.000 2.406 1120 A HA 0.386 4.706 4.320 -0.000 0.000 0.243 1120 A C -0.255 177.406 177.584 0.128 0.000 1.082 1120 A CA -0.292 51.822 52.037 0.129 0.000 0.786 1120 A CB 0.503 19.636 19.000 0.221 0.000 1.029 1120 A HN 0.352 nan 8.150 nan 0.000 0.495 1121 V N 2.051 122.055 119.914 0.151 0.000 2.588 1121 V HA 0.402 4.522 4.120 -0.000 0.000 0.304 1121 V C -0.544 175.659 176.094 0.183 0.000 1.042 1121 V CA -0.830 61.543 62.300 0.122 0.000 0.877 1121 V CB 1.862 33.728 31.823 0.072 0.000 0.996 1121 V HN 0.936 nan 8.190 nan 0.000 0.425 1122 N N 3.356 122.129 118.700 0.123 0.000 2.443 1122 N HA 0.518 5.258 4.740 -0.000 0.000 0.269 1122 N C -1.216 174.308 175.510 0.022 0.000 0.985 1122 N CA -0.285 52.832 53.050 0.113 0.000 0.921 1122 N CB 1.918 40.421 38.487 0.028 0.000 1.195 1122 N HN 0.389 nan 8.380 nan 0.000 0.492 1123 V N 4.158 124.082 119.914 0.017 0.000 2.370 1123 V HA 0.353 4.472 4.120 -0.000 0.000 0.279 1123 V C 0.253 176.290 176.094 -0.095 0.000 1.029 1123 V CA -0.852 61.425 62.300 -0.038 0.000 0.870 1123 V CB 1.095 32.907 31.823 -0.019 0.000 0.984 1123 V HN 0.481 nan 8.190 nan 0.000 0.451 1124 K N 4.001 124.304 120.400 -0.161 0.000 2.383 1124 K HA 0.163 4.483 4.320 -0.000 0.000 0.286 1124 K C 0.115 176.582 176.600 -0.221 0.000 1.051 1124 K CA -0.141 56.000 56.287 -0.244 0.000 0.974 1124 K CB 0.691 32.990 32.500 -0.334 0.000 0.968 1124 K HN 0.642 nan 8.250 nan 0.000 0.475 1125 K N 1.699 121.967 120.400 -0.221 0.000 2.416 1125 K HA 0.083 4.403 4.320 -0.000 0.000 0.283 1125 K C 0.318 176.707 176.600 -0.351 0.000 1.037 1125 K CA -0.107 56.035 56.287 -0.241 0.000 0.995 1125 K CB 0.439 32.816 32.500 -0.204 0.000 0.938 1125 K HN 0.683 nan 8.250 nan 0.000 0.475 1126 G N 3.119 111.615 108.800 -0.507 0.000 2.484 1126 G HA2 -0.078 3.881 3.960 -0.000 0.000 0.235 1126 G HA3 -0.078 3.881 3.960 -0.000 0.000 0.235 1126 G C 0.162 174.599 174.900 -0.771 0.000 1.282 1126 G CA -0.429 44.153 45.100 -0.862 0.000 0.857 1126 G HN 0.819 nan 8.290 nan 0.000 0.571 1127 Q N 0.543 120.068 119.800 -0.458 0.000 2.439 1127 Q HA -0.050 4.290 4.340 -0.000 0.000 0.211 1127 Q C 1.589 177.526 176.000 -0.105 0.000 0.978 1127 Q CA 1.357 57.061 55.803 -0.165 0.000 0.897 1127 Q CB -0.184 28.602 28.738 0.081 0.000 0.956 1127 Q HN 0.824 nan 8.270 nan 0.000 0.483 1128 F N -3.093 116.872 119.950 0.024 0.000 2.695 1128 F HA 0.359 4.886 4.527 -0.001 0.000 0.303 1128 F C 0.207 175.985 175.800 -0.038 0.000 1.091 1128 F CA -0.861 57.140 58.000 0.002 0.000 1.300 1128 F CB 0.160 39.168 39.000 0.013 0.000 1.071 1128 F HN -0.133 nan 8.300 nan 0.000 0.578 1129 L N 2.071 123.098 121.223 -0.327 0.000 2.307 1129 L HA 0.726 5.065 4.340 -0.000 0.000 0.282 1129 L C 0.224 176.933 176.870 -0.268 0.000 1.051 1129 L CA -1.111 53.594 54.840 -0.225 0.000 0.804 1129 L CB 1.063 42.921 42.059 -0.335 0.000 1.197 1129 L HN 0.215 nan 8.230 nan 0.000 0.431 1130 A N 6.038 128.660 122.820 -0.330 0.000 2.340 1130 A HA 0.542 4.862 4.320 -0.000 0.000 0.268 1130 A C -1.790 175.366 177.584 -0.714 0.000 1.100 1130 A CA -1.118 50.520 52.037 -0.665 0.000 0.803 1130 A CB -0.027 18.395 19.000 -0.964 0.000 1.043 1130 A HN 0.746 nan 8.150 nan 0.000 0.488 1131 P HA -0.199 nan 4.420 nan 0.000 0.216 1131 P C 0.955 178.242 177.300 -0.022 0.000 1.154 1131 P CA 2.239 65.149 63.100 -0.317 0.000 0.865 1131 P CB -0.129 31.439 31.700 -0.220 0.000 0.789 1132 W N -0.601 120.823 121.300 0.206 0.000 2.525 1132 W HA 0.018 4.678 4.660 -0.000 0.000 0.259 1132 W C 0.965 177.518 176.519 0.058 0.000 1.253 1132 W CA 0.512 58.017 57.345 0.266 0.000 1.262 1132 W CB -1.731 27.843 29.460 0.191 0.000 1.122 1132 W HN -0.109 nan 8.180 nan 0.000 0.607 1133 D N 0.961 121.328 120.400 -0.056 0.000 2.312 1133 D HA -0.132 4.507 4.640 -0.000 0.000 0.211 1133 D C 2.138 178.379 176.300 -0.098 0.000 0.964 1133 D CA 2.016 55.987 54.000 -0.048 0.000 0.877 1133 D CB -0.559 40.192 40.800 -0.082 0.000 0.924 1133 D HN 0.383 nan 8.370 nan 0.000 0.515 1134 T N -1.516 112.997 114.554 -0.067 0.000 3.035 1134 T HA -0.084 4.266 4.350 -0.000 0.000 0.268 1134 T C 1.760 176.244 174.700 -0.359 0.000 1.109 1134 T CA 0.627 62.685 62.100 -0.070 0.000 1.119 1134 T CB 0.101 69.064 68.868 0.158 0.000 0.900 1134 T HN 0.071 nan 8.240 nan 0.000 0.503 1135 K N 1.364 121.270 120.400 -0.824 0.000 2.032 1135 K HA -0.158 4.162 4.320 -0.000 0.000 0.209 1135 K C 2.052 178.304 176.600 -0.580 0.000 1.048 1135 K CA 1.573 57.047 56.287 -1.355 0.000 0.927 1135 K CB -0.204 31.340 32.500 -1.593 0.000 0.712 1135 K HN 0.225 nan 8.250 nan 0.000 0.441 1136 N N 0.414 118.903 118.700 -0.352 0.000 2.244 1136 N HA -0.122 4.617 4.740 -0.000 0.000 0.183 1136 N C 1.742 177.167 175.510 -0.142 0.000 1.016 1136 N CA 0.917 53.849 53.050 -0.197 0.000 0.866 1136 N CB -0.169 38.241 38.487 -0.128 0.000 0.980 1136 N HN 0.024 nan 8.380 nan 0.000 0.430 1137 V N 0.659 120.491 119.914 -0.138 0.000 2.295 1137 V HA -0.169 3.951 4.120 -0.000 0.000 0.246 1137 V C 2.409 178.470 176.094 -0.054 0.000 1.049 1137 V CA 1.177 63.434 62.300 -0.072 0.000 1.024 1137 V CB -0.488 31.305 31.823 -0.051 0.000 0.648 1137 V HN 0.054 nan 8.190 nan 0.000 0.447 1138 V N -0.084 119.780 119.914 -0.082 0.000 2.343 1138 V HA -0.293 3.827 4.120 -0.000 0.000 0.247 1138 V C 2.446 178.530 176.094 -0.016 0.000 1.051 1138 V CA 2.300 64.585 62.300 -0.025 0.000 1.036 1138 V CB -0.621 31.204 31.823 0.004 0.000 0.654 1138 V HN 0.672 nan 8.190 nan 0.000 0.451 1139 E N 0.217 120.382 120.200 -0.058 0.000 2.110 1139 E HA -0.263 4.087 4.350 -0.000 0.000 0.193 1139 E C 2.265 178.888 176.600 0.038 0.000 0.988 1139 E CA 1.364 57.755 56.400 -0.016 0.000 0.804 1139 E CB -0.020 29.646 29.700 -0.058 0.000 0.745 1139 E HN 0.579 nan 8.360 nan 0.000 0.458 1140 K N 0.124 120.528 120.400 0.006 0.000 2.057 1140 K HA -0.115 4.204 4.320 -0.000 0.000 0.207 1140 K C 2.288 178.960 176.600 0.119 0.000 1.049 1140 K CA 1.129 57.437 56.287 0.034 0.000 0.931 1140 K CB -0.089 32.404 32.500 -0.013 0.000 0.714 1140 K HN 0.190 nan 8.250 nan 0.000 0.440 1141 L N 1.092 122.359 121.223 0.074 0.000 2.046 1141 L HA -0.212 4.127 4.340 -0.000 0.000 0.208 1141 L C 2.286 179.208 176.870 0.087 0.000 1.077 1141 L CA 1.424 56.310 54.840 0.077 0.000 0.747 1141 L CB -0.316 41.772 42.059 0.048 0.000 0.896 1141 L HN 0.132 nan 8.230 nan 0.000 0.432 1142 K N -0.602 119.847 120.400 0.082 0.000 2.097 1142 K HA -0.202 4.118 4.320 -0.000 0.000 0.206 1142 K C 2.068 178.719 176.600 0.084 0.000 1.049 1142 K CA 1.440 57.766 56.287 0.066 0.000 0.933 1142 K CB -0.272 32.263 32.500 0.057 0.000 0.717 1142 K HN 0.123 nan 8.250 nan 0.000 0.442 1143 F N 1.331 121.278 119.950 -0.005 0.000 2.126 1143 F HA -0.122 4.405 4.527 -0.000 0.000 0.299 1143 F C 1.932 177.732 175.800 0.001 0.000 1.096 1143 F CA 1.703 59.701 58.000 -0.003 0.000 1.255 1143 F CB -0.394 38.603 39.000 -0.006 0.000 0.997 1143 F HN -0.018 nan 8.300 nan 0.000 0.479 1144 G N -1.095 107.816 108.800 0.184 0.000 2.679 1144 G HA2 0.229 4.189 3.960 -0.000 0.000 0.212 1144 G HA3 0.229 4.189 3.960 -0.000 0.000 0.212 1144 G C 1.339 176.229 174.900 -0.016 0.000 1.137 1144 G CA 0.456 45.608 45.100 0.086 0.000 0.787 1144 G HN 1.029 nan 8.290 nan 0.000 0.534 1145 G N -1.620 107.159 108.800 -0.036 0.000 2.179 1145 G HA2 0.150 4.110 3.960 -0.000 0.000 0.220 1145 G HA3 0.150 4.110 3.960 -0.000 0.000 0.220 1145 G C 0.472 175.368 174.900 -0.007 0.000 0.990 1145 G CA 0.154 45.231 45.100 -0.038 0.000 0.646 1145 G HN 1.285 nan 8.290 nan 0.000 0.517 1146 A N -0.054 122.774 122.820 0.013 0.000 2.440 1146 A HA 0.709 5.028 4.320 -0.000 0.000 0.251 1146 A C 1.117 178.707 177.584 0.010 0.000 1.089 1146 A CA 1.090 53.139 52.037 0.019 0.000 0.779 1146 A CB 0.410 19.429 19.000 0.032 0.000 1.022 1146 A HN 0.422 nan 8.150 nan 0.000 0.492 1147 K N 0.683 121.087 120.400 0.006 0.000 2.387 1147 K HA 0.120 4.440 4.320 -0.000 0.000 0.197 1147 K C 0.302 176.889 176.600 -0.021 0.000 1.127 1147 K CA 0.337 56.622 56.287 -0.004 0.000 0.950 1147 K CB 0.599 33.099 32.500 -0.000 0.000 1.017 1147 K HN 0.787 nan 8.250 nan 0.000 0.519 1148 E N 1.948 122.139 120.200 -0.016 0.000 2.114 1148 E HA 0.337 4.687 4.350 -0.000 0.000 0.266 1148 E C -1.285 175.269 176.600 -0.076 0.000 0.896 1148 E CA -0.300 56.062 56.400 -0.063 0.000 0.750 1148 E CB 0.710 30.419 29.700 0.015 0.000 1.121 1148 E HN 0.068 nan 8.360 nan 0.000 0.413 1149 I N 4.328 124.772 120.570 -0.210 0.000 2.545 1149 I HA 0.370 4.540 4.170 -0.000 0.000 0.292 1149 I C -1.205 174.716 176.117 -0.326 0.000 1.040 1149 I CA -0.918 60.301 61.300 -0.135 0.000 1.068 1149 I CB 1.409 39.386 38.000 -0.039 0.000 1.251 1149 I HN 0.504 nan 8.210 nan 0.000 0.424 1150 Y N 5.214 125.523 120.300 0.015 0.000 2.536 1150 Y HA 0.673 5.223 4.550 -0.000 0.000 0.347 1150 Y C -0.552 175.349 175.900 0.001 0.000 1.000 1150 Y CA -0.866 57.236 58.100 0.003 0.000 1.051 1150 Y CB 1.921 40.373 38.460 -0.013 0.000 1.259 1150 Y HN 0.247 nan 8.280 nan 0.000 0.468 1151 L N 2.317 123.630 121.223 0.150 0.000 2.356 1151 L HA 0.566 4.906 4.340 -0.000 0.000 0.277 1151 L C -0.775 176.114 176.870 0.033 0.000 0.996 1151 L CA -0.550 54.335 54.840 0.075 0.000 0.822 1151 L CB 2.115 44.226 42.059 0.087 0.000 1.256 1151 L HN 0.660 nan 8.230 nan 0.000 0.413 1152 T N 1.260 115.790 114.554 -0.041 0.000 2.771 1152 T HA 0.227 4.576 4.350 -0.000 0.000 0.281 1152 T C -0.320 174.296 174.700 -0.141 0.000 0.982 1152 T CA -0.436 61.602 62.100 -0.104 0.000 0.978 1152 T CB 1.610 70.349 68.868 -0.215 0.000 0.930 1152 T HN 0.401 nan 8.240 nan 0.000 0.447 1153 E N 2.727 122.872 120.200 -0.092 0.000 2.223 1153 E HA 0.289 4.639 4.350 -0.000 0.000 0.282 1153 E C 0.398 176.894 176.600 -0.173 0.000 1.046 1153 E CA -0.576 55.769 56.400 -0.092 0.000 0.857 1153 E CB 0.429 30.144 29.700 0.024 0.000 1.055 1153 E HN 0.599 nan 8.360 nan 0.000 0.409 1154 R N 3.161 123.534 120.500 -0.212 0.000 2.615 1154 R HA 0.503 4.843 4.340 -0.000 0.000 0.448 1154 R C 0.163 176.364 176.300 -0.166 0.000 1.009 1154 R CA -0.199 55.757 56.100 -0.240 0.000 1.111 1154 R CB 0.049 30.151 30.300 -0.330 0.000 1.461 1154 R HN 0.651 nan 8.270 nan 0.000 0.587 1155 G N -0.033 108.680 108.800 -0.145 0.000 2.699 1155 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.686 1155 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.686 1155 G C -0.840 173.986 174.900 -0.124 0.000 1.301 1155 G CA -0.415 44.612 45.100 -0.122 0.000 0.816 1155 G HN 0.226 nan 8.290 nan 0.000 0.595 1156 T N 0.638 115.134 114.554 -0.095 0.000 2.907 1156 T HA 0.660 5.009 4.350 -0.000 0.000 0.292 1156 T C 0.383 175.099 174.700 0.027 0.000 1.043 1156 T CA -0.038 62.023 62.100 -0.065 0.000 1.003 1156 T CB 1.733 70.544 68.868 -0.094 0.000 1.084 1156 T HN 0.854 nan 8.240 nan 0.000 0.483 1157 T N 2.946 117.540 114.554 0.066 0.000 2.793 1157 T HA 0.205 4.554 4.350 -0.000 0.000 0.289 1157 T C -0.835 173.974 174.700 0.183 0.000 0.956 1157 T CA 0.397 62.571 62.100 0.123 0.000 1.177 1157 T CB -0.515 68.428 68.868 0.125 0.000 0.897 1157 T HN 0.382 nan 8.240 nan 0.000 0.533 1158 F N 4.214 124.154 119.950 -0.016 0.000 2.552 1158 F HA 0.534 5.060 4.527 -0.001 0.000 0.369 1158 F C 0.744 176.509 175.800 -0.057 0.000 1.112 1158 F CA -0.214 57.763 58.000 -0.039 0.000 1.129 1158 F CB -0.125 38.855 39.000 -0.033 0.000 1.360 1158 F HN 0.901 nan 8.300 nan 0.000 0.473 1159 G N 3.150 111.746 108.800 -0.341 0.000 2.645 1159 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.239 1159 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.239 1159 G C -1.324 173.415 174.900 -0.269 0.000 1.331 1159 G CA -0.431 44.394 45.100 -0.458 0.000 0.890 1159 G HN 0.519 nan 8.290 nan 0.000 0.572 1160 Y N 1.521 121.786 120.300 -0.058 0.000 2.310 1160 Y HA 0.471 5.020 4.550 -0.000 0.000 0.326 1160 Y C 1.436 177.342 175.900 0.011 0.000 1.151 1160 Y CA -0.473 57.619 58.100 -0.012 0.000 1.195 1160 Y CB 0.997 39.447 38.460 -0.016 0.000 1.210 1160 Y HN 0.655 nan 8.280 nan 0.000 0.483 1161 N N 1.867 120.696 118.700 0.215 0.000 2.727 1161 N HA -0.315 4.425 4.740 -0.000 0.000 0.249 1161 N C -0.821 174.765 175.510 0.128 0.000 1.048 1161 N CA 1.008 54.144 53.050 0.145 0.000 0.714 1161 N CB -1.138 37.419 38.487 0.117 0.000 0.959 1161 N HN 0.904 nan 8.380 nan 0.000 0.544 1162 N N -0.465 118.316 118.700 0.136 0.000 2.598 1162 N HA 0.561 5.301 4.740 -0.000 0.000 0.263 1162 N C -1.580 174.031 175.510 0.169 0.000 1.254 1162 N CA -0.548 52.590 53.050 0.147 0.000 0.863 1162 N CB 1.557 40.140 38.487 0.161 0.000 1.586 1162 N HN -0.008 nan 8.380 nan 0.000 0.491 1163 L N 1.747 123.055 121.223 0.143 0.000 2.388 1163 L HA 0.704 5.044 4.340 -0.000 0.000 0.264 1163 L C -0.846 176.042 176.870 0.029 0.000 0.998 1163 L CA -0.981 53.918 54.840 0.098 0.000 0.817 1163 L CB 2.101 44.189 42.059 0.050 0.000 1.338 1163 L HN 0.276 nan 8.230 nan 0.000 0.414 1164 V N 2.299 122.172 119.914 -0.068 0.000 2.914 1164 V HA 0.580 4.699 4.120 -0.000 0.000 0.314 1164 V C -0.883 175.081 176.094 -0.216 0.000 1.084 1164 V CA -0.507 61.655 62.300 -0.229 0.000 0.963 1164 V CB 2.656 34.135 31.823 -0.573 0.000 1.025 1164 V HN 0.410 nan 8.190 nan 0.000 0.432 1165 V N 4.774 124.538 119.914 -0.249 0.000 2.328 1165 V HA 0.377 4.497 4.120 -0.000 0.000 0.278 1165 V C -0.382 175.441 176.094 -0.451 0.000 1.021 1165 V CA -0.475 61.591 62.300 -0.391 0.000 0.838 1165 V CB 1.379 32.877 31.823 -0.542 0.000 0.999 1165 V HN 0.908 nan 8.190 nan 0.000 0.447 1166 D N 4.131 124.311 120.400 -0.367 0.000 2.441 1166 D HA 0.240 4.880 4.640 -0.000 0.000 0.221 1166 D C 0.717 176.869 176.300 -0.245 0.000 1.156 1166 D CA -0.390 53.473 54.000 -0.228 0.000 0.896 1166 D CB 0.499 41.202 40.800 -0.162 0.000 1.028 1166 D HN 0.403 nan 8.370 nan 0.000 0.509 1167 F N 1.835 121.729 119.950 -0.094 0.000 2.583 1167 F HA -0.011 4.516 4.527 -0.001 0.000 0.297 1167 F C 2.236 177.992 175.800 -0.074 0.000 1.131 1167 F CA 0.410 58.350 58.000 -0.100 0.000 1.467 1167 F CB 0.004 38.928 39.000 -0.127 0.000 1.097 1167 F HN 0.273 nan 8.300 nan 0.000 0.586 1168 R N -0.208 120.334 120.500 0.069 0.000 2.189 1168 R HA -0.127 4.212 4.340 -0.000 0.000 0.223 1168 R C 2.473 178.787 176.300 0.024 0.000 1.092 1168 R CA 1.275 57.407 56.100 0.054 0.000 0.989 1168 R CB -0.468 29.873 30.300 0.068 0.000 0.876 1168 R HN 0.351 nan 8.270 nan 0.000 0.457 1169 S N 0.496 116.180 115.700 -0.027 0.000 2.423 1169 S HA -0.102 4.367 4.470 -0.000 0.000 0.231 1169 S C 1.836 176.407 174.600 -0.048 0.000 1.014 1169 S CA 0.691 58.859 58.200 -0.053 0.000 0.965 1169 S CB -0.137 62.995 63.200 -0.113 0.000 0.785 1169 S HN 0.053 nan 8.310 nan 0.000 0.495 1170 L N 2.797 124.002 121.223 -0.029 0.000 1.970 1170 L HA 0.034 4.374 4.340 -0.000 0.000 0.212 1170 L C -0.351 176.470 176.870 -0.082 0.000 1.071 1170 L CA 1.959 56.778 54.840 -0.035 0.000 0.751 1170 L CB -1.700 40.364 42.059 0.009 0.000 0.889 1170 L HN 0.261 nan 8.230 nan 0.000 0.432 1171 P HA -0.153 nan 4.420 nan 0.000 0.218 1171 P C 2.104 179.307 177.300 -0.161 0.000 1.149 1171 P CA 1.575 64.611 63.100 -0.106 0.000 0.817 1171 P CB 0.092 31.755 31.700 -0.062 0.000 0.785 1172 I N -0.658 119.839 120.570 -0.121 0.000 2.142 1172 I HA -0.215 3.955 4.170 -0.000 0.000 0.240 1172 I C 2.718 178.566 176.117 -0.449 0.000 1.078 1172 I CA 1.621 62.820 61.300 -0.168 0.000 1.343 1172 I CB -0.563 37.469 38.000 0.053 0.000 1.046 1172 I HN -0.159 nan 8.210 nan 0.000 0.405 1173 M N -0.101 119.322 119.600 -0.295 0.000 2.394 1173 M HA -0.150 4.330 4.480 -0.000 0.000 0.264 1173 M C 2.041 178.008 176.300 -0.555 0.000 1.073 1173 M CA 1.036 56.113 55.300 -0.373 0.000 1.111 1173 M CB -0.291 32.283 32.600 -0.042 0.000 1.401 1173 M HN -0.021 nan 8.290 nan 0.000 0.448 1174 K N 1.088 121.252 120.400 -0.393 0.000 2.442 1174 K HA -0.121 4.198 4.320 -0.000 0.000 0.198 1174 K C 1.616 177.991 176.600 -0.376 0.000 1.044 1174 K CA 1.333 57.442 56.287 -0.298 0.000 0.948 1174 K CB -0.129 32.250 32.500 -0.201 0.000 0.762 1174 K HN 0.417 nan 8.250 nan 0.000 0.472 1175 Q N -1.319 118.086 119.800 -0.658 0.000 2.224 1175 Q HA -0.121 4.219 4.340 -0.000 0.000 0.203 1175 Q C 0.692 176.507 176.000 -0.309 0.000 0.970 1175 Q CA 1.673 57.138 55.803 -0.565 0.000 0.865 1175 Q CB -0.047 28.193 28.738 -0.830 0.000 0.922 1175 Q HN 0.623 nan 8.270 nan 0.000 0.445 1176 W N -2.214 119.086 121.300 -0.000 0.000 2.714 1176 W HA 0.696 5.356 4.660 -0.001 0.000 0.353 1176 W C 0.044 176.545 176.519 -0.030 0.000 0.999 1176 W CA -0.119 57.221 57.345 -0.008 0.000 1.629 1176 W CB 0.407 29.870 29.460 0.004 0.000 1.106 1176 W HN -0.101 nan 8.180 nan 0.000 0.545 1177 A N 0.606 123.461 122.820 0.059 0.000 2.540 1177 A HA 0.580 4.899 4.320 -0.000 0.000 0.291 1177 A C -1.076 176.466 177.584 -0.069 0.000 1.083 1177 A CA -1.256 50.790 52.037 0.014 0.000 0.650 1177 A CB 0.823 19.878 19.000 0.093 0.000 1.292 1177 A HN -0.000 nan 8.150 nan 0.000 0.435 1178 K N 0.208 120.528 120.400 -0.133 0.000 2.237 1178 K HA 0.528 4.847 4.320 -0.000 0.000 0.270 1178 K C -0.910 175.699 176.600 0.016 0.000 1.015 1178 K CA -0.215 56.013 56.287 -0.100 0.000 0.949 1178 K CB 1.276 33.643 32.500 -0.222 0.000 0.976 1178 K HN 0.365 nan 8.250 nan 0.000 0.472 1179 V N 4.669 124.600 119.914 0.029 0.000 2.495 1179 V HA 0.355 4.475 4.120 -0.000 0.000 0.298 1179 V C -0.293 175.838 176.094 0.061 0.000 1.031 1179 V CA -0.882 61.444 62.300 0.044 0.000 0.871 1179 V CB 1.457 33.277 31.823 -0.005 0.000 0.988 1179 V HN 0.579 nan 8.190 nan 0.000 0.432 1180 I N 4.152 124.763 120.570 0.068 0.000 2.530 1180 I HA 0.394 4.564 4.170 -0.000 0.000 0.297 1180 I C -0.830 175.347 176.117 0.101 0.000 1.011 1180 I CA -0.866 60.463 61.300 0.049 0.000 1.107 1180 I CB 1.764 39.767 38.000 0.005 0.000 1.285 1180 I HN 0.657 nan 8.210 nan 0.000 0.436 1181 Y N 4.634 124.949 120.300 0.025 0.000 2.331 1181 Y HA 0.327 4.877 4.550 -0.000 0.000 0.338 1181 Y C -0.073 175.864 175.900 0.062 0.000 0.976 1181 Y CA -0.934 57.190 58.100 0.040 0.000 1.137 1181 Y CB 0.855 39.390 38.460 0.124 0.000 1.172 1181 Y HN 0.497 nan 8.280 nan 0.000 0.478 1182 D N 5.238 125.259 120.400 -0.631 0.000 2.422 1182 D HA 0.246 4.886 4.640 -0.000 0.000 0.227 1182 D C 0.618 176.437 176.300 -0.801 0.000 1.190 1182 D CA 0.310 53.985 54.000 -0.542 0.000 0.905 1182 D CB 1.120 41.577 40.800 -0.572 0.000 1.034 1182 D HN 0.796 nan 8.370 nan 0.000 0.507 1183 A N 2.910 125.407 122.820 -0.538 0.000 2.066 1183 A HA -0.111 4.209 4.320 -0.000 0.000 0.218 1183 A C 2.001 179.544 177.584 -0.069 0.000 1.157 1183 A CA 1.686 53.543 52.037 -0.301 0.000 0.670 1183 A CB -0.220 18.835 19.000 0.091 0.000 0.804 1183 A HN 0.579 nan 8.150 nan 0.000 0.453 1184 T N -2.517 112.016 114.554 -0.035 0.000 2.983 1184 T HA -0.042 4.307 4.350 -0.000 0.000 0.250 1184 T C 1.736 176.345 174.700 -0.151 0.000 1.037 1184 T CA 1.346 63.407 62.100 -0.064 0.000 1.142 1184 T CB -0.429 68.393 68.868 -0.077 0.000 0.876 1184 T HN 0.557 nan 8.240 nan 0.000 0.455 1185 H N 0.673 119.690 119.070 -0.089 0.000 2.462 1185 H HA 0.305 4.861 4.556 -0.000 0.000 0.292 1185 H C 2.635 177.901 175.328 -0.103 0.000 1.049 1185 H CA 1.318 57.300 56.048 -0.110 0.000 1.334 1185 H CB -0.049 29.594 29.762 -0.198 0.000 1.404 1185 H HN 0.307 nan 8.280 nan 0.000 0.544 1186 S N 0.128 115.807 115.700 -0.034 0.000 2.442 1186 S HA -0.102 4.368 4.470 -0.000 0.000 0.236 1186 S C 1.823 176.449 174.600 0.043 0.000 1.007 1186 S CA 1.214 59.400 58.200 -0.024 0.000 0.965 1186 S CB -0.110 63.065 63.200 -0.041 0.000 0.773 1186 S HN 0.457 nan 8.310 nan 0.000 0.504 1187 V N 0.125 120.080 119.914 0.067 0.000 3.319 1187 V HA 0.276 4.396 4.120 -0.000 0.000 0.317 1187 V C 0.355 176.508 176.094 0.098 0.000 1.411 1187 V CA -0.574 61.798 62.300 0.119 0.000 1.112 1187 V CB -0.788 31.155 31.823 0.199 0.000 1.031 1187 V HN 0.476 nan 8.190 nan 0.000 0.448 1188 Q N 1.424 121.258 119.800 0.057 0.000 2.354 1188 Q HA 0.528 4.868 4.340 -0.000 0.000 0.244 1188 Q C -0.873 175.173 176.000 0.076 0.000 0.969 1188 Q CA -0.529 55.304 55.803 0.050 0.000 0.885 1188 Q CB 1.490 30.246 28.738 0.030 0.000 1.241 1188 Q HN 0.565 nan 8.270 nan 0.000 0.461 1189 L N 3.734 125.004 121.223 0.078 0.000 2.297 1189 L HA 0.405 4.745 4.340 -0.000 0.000 0.277 1189 L C -2.232 174.691 176.870 0.089 0.000 1.040 1189 L CA -2.406 52.488 54.840 0.090 0.000 0.867 1189 L CB 1.254 43.367 42.059 0.090 0.000 1.244 1189 L HN 0.544 nan 8.230 nan 0.000 0.433 1190 P HA -0.070 nan 4.420 nan 0.000 0.258 1190 P C 1.012 178.372 177.300 0.099 0.000 1.172 1190 P CA 0.732 63.902 63.100 0.117 0.000 0.762 1190 P CB 0.594 32.382 31.700 0.146 0.000 0.764 1191 G N 3.539 112.392 108.800 0.088 0.000 2.309 1191 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.286 1191 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.286 1191 G C 1.296 176.228 174.900 0.054 0.000 1.002 1191 G CA 0.478 45.617 45.100 0.065 0.000 0.786 1191 G HN 0.722 nan 8.290 nan 0.000 0.511 1192 G N -0.892 107.944 108.800 0.061 0.000 2.471 1192 G HA2 0.161 4.121 3.960 -0.000 0.000 0.219 1192 G HA3 0.161 4.121 3.960 -0.000 0.000 0.219 1192 G C 0.954 175.880 174.900 0.044 0.000 1.125 1192 G CA 0.921 46.054 45.100 0.056 0.000 0.775 1192 G HN 0.559 nan 8.290 nan 0.000 0.548 1193 L N 0.957 122.204 121.223 0.040 0.000 3.073 1193 L HA 0.457 4.796 4.340 -0.000 0.000 0.242 1193 L C 1.557 178.444 176.870 0.030 0.000 1.317 1193 L CA 0.294 55.153 54.840 0.032 0.000 1.081 1193 L CB 0.133 42.209 42.059 0.030 0.000 1.456 1193 L HN 0.323 nan 8.230 nan 0.000 0.525 1194 G N 0.837 109.653 108.800 0.027 0.000 3.181 1194 G HA2 -0.418 3.542 3.960 -0.000 0.000 0.322 1194 G HA3 -0.418 3.542 3.960 -0.000 0.000 0.322 1194 G C 0.821 175.738 174.900 0.028 0.000 1.246 1194 G CA 0.500 45.614 45.100 0.023 0.000 0.989 1194 G HN 0.501 nan 8.290 nan 0.000 0.607 1195 D N 2.043 122.465 120.400 0.036 0.000 2.325 1195 D HA 0.250 4.890 4.640 -0.000 0.000 0.225 1195 D C 0.778 177.107 176.300 0.049 0.000 1.096 1195 D CA 0.805 54.832 54.000 0.045 0.000 0.844 1195 D CB 0.256 41.095 40.800 0.064 0.000 0.925 1195 D HN 0.657 nan 8.370 nan 0.000 0.513 1196 K N -0.775 119.652 120.400 0.045 0.000 2.533 1196 K HA 0.433 4.753 4.320 -0.000 0.000 0.284 1196 K C -0.896 175.733 176.600 0.049 0.000 1.025 1196 K CA -0.789 55.527 56.287 0.048 0.000 0.900 1196 K CB 2.069 34.595 32.500 0.043 0.000 1.519 1196 K HN -0.205 nan 8.250 nan 0.000 0.432 1197 S N -0.538 115.193 115.700 0.052 0.000 2.713 1197 S HA 0.692 5.162 4.470 -0.000 0.000 0.283 1197 S C -0.062 174.563 174.600 0.043 0.000 1.161 1197 S CA -0.641 57.592 58.200 0.056 0.000 0.999 1197 S CB 1.577 64.818 63.200 0.068 0.000 1.039 1197 S HN 0.710 nan 8.310 nan 0.000 0.548 1198 G N -1.142 107.687 108.800 0.047 0.000 3.262 1198 G HA2 0.839 4.798 3.960 -0.000 0.000 0.229 1198 G HA3 0.839 4.798 3.960 -0.000 0.000 0.229 1198 G C -0.388 174.537 174.900 0.042 0.000 1.280 1198 G CA -0.370 44.754 45.100 0.040 0.000 0.951 1198 G HN 1.071 nan 8.290 nan 0.000 0.589 1199 G N -1.857 106.972 108.800 0.050 0.000 2.322 1199 G HA2 0.480 4.439 3.960 -0.000 0.000 0.295 1199 G HA3 0.480 4.439 3.960 -0.000 0.000 0.295 1199 G C -1.512 173.437 174.900 0.081 0.000 1.369 1199 G CA -0.781 44.357 45.100 0.064 0.000 0.821 1199 G HN 0.593 nan 8.290 nan 0.000 0.536 1200 M N 1.143 120.814 119.600 0.118 0.000 1.996 1200 M HA 0.324 4.804 4.480 -0.000 0.000 0.268 1200 M C 1.097 177.421 176.300 0.039 0.000 0.888 1200 M CA -0.614 54.746 55.300 0.099 0.000 0.939 1200 M CB 2.136 34.916 32.600 0.299 0.000 1.736 1200 M HN 0.660 nan 8.290 nan 0.000 0.407 1201 R N 1.970 122.459 120.500 -0.018 0.000 2.159 1201 R HA -0.157 4.183 4.340 -0.000 0.000 0.237 1201 R C 1.819 178.086 176.300 -0.056 0.000 1.131 1201 R CA 2.175 58.265 56.100 -0.017 0.000 0.982 1201 R CB 0.222 30.507 30.300 -0.026 0.000 0.868 1201 R HN 0.700 nan 8.270 nan 0.000 0.453 1202 E N -0.192 119.880 120.200 -0.213 0.000 2.265 1202 E HA -0.218 4.131 4.350 -0.000 0.000 0.196 1202 E C 1.300 177.737 176.600 -0.272 0.000 0.996 1202 E CA 1.254 57.469 56.400 -0.309 0.000 0.832 1202 E CB -0.452 28.926 29.700 -0.535 0.000 0.756 1202 E HN 0.514 nan 8.360 nan 0.000 0.491 1203 F N 0.756 120.759 119.950 0.089 0.000 2.776 1203 F HA 0.241 4.768 4.527 -0.000 0.000 0.300 1203 F C 2.211 178.101 175.800 0.149 0.000 1.116 1203 F CA -0.344 57.718 58.000 0.104 0.000 1.375 1203 F CB -0.057 38.998 39.000 0.092 0.000 1.109 1203 F HN -0.140 nan 8.300 nan 0.000 0.585 1204 I N 0.105 120.841 120.570 0.277 0.000 2.069 1204 I HA -0.384 3.785 4.170 -0.000 0.000 0.237 1204 I C 2.479 178.811 176.117 0.359 0.000 1.053 1204 I CA 1.889 63.352 61.300 0.272 0.000 1.311 1204 I CB -0.589 37.514 38.000 0.171 0.000 1.030 1204 I HN 0.172 nan 8.210 nan 0.000 0.398 1205 F N 2.648 122.673 119.950 0.125 0.000 2.069 1205 F HA -0.168 4.359 4.527 -0.000 0.000 0.298 1205 F C -0.224 175.642 175.800 0.110 0.000 1.113 1205 F CA 1.247 59.309 58.000 0.104 0.000 1.214 1205 F CB -1.119 37.917 39.000 0.060 0.000 0.978 1205 F HN 0.015 nan 8.300 nan 0.000 0.474 1206 P HA -0.211 nan 4.420 nan 0.000 0.215 1206 P C 1.840 179.154 177.300 0.023 0.000 1.153 1206 P CA 1.648 64.721 63.100 -0.045 0.000 0.853 1206 P CB -0.303 31.429 31.700 0.053 0.000 0.788 1207 L N -1.217 120.114 121.223 0.181 0.000 2.217 1207 L HA -0.070 4.270 4.340 -0.000 0.000 0.211 1207 L C 2.757 179.717 176.870 0.150 0.000 1.107 1207 L CA 0.922 55.888 54.840 0.210 0.000 0.783 1207 L CB -0.626 41.684 42.059 0.418 0.000 0.919 1207 L HN -0.114 nan 8.230 nan 0.000 0.442 1208 I N -0.406 120.343 120.570 0.299 0.000 2.315 1208 I HA -0.264 3.905 4.170 -0.000 0.000 0.248 1208 I C 2.710 178.894 176.117 0.111 0.000 1.117 1208 I CA 1.118 62.611 61.300 0.322 0.000 1.404 1208 I CB -0.251 38.010 38.000 0.436 0.000 1.071 1208 I HN 0.244 nan 8.210 nan 0.000 0.419 1209 R N 0.774 121.285 120.500 0.019 0.000 2.081 1209 R HA -0.145 4.195 4.340 -0.000 0.000 0.235 1209 R C 2.459 178.657 176.300 -0.170 0.000 1.131 1209 R CA 1.470 57.513 56.100 -0.094 0.000 0.960 1209 R CB -0.495 29.669 30.300 -0.227 0.000 0.856 1209 R HN 0.352 nan 8.270 nan 0.000 0.436 1210 A N 1.583 124.232 122.820 -0.284 0.000 1.883 1210 A HA -0.174 4.145 4.320 -0.000 0.000 0.217 1210 A C 2.440 179.696 177.584 -0.546 0.000 1.186 1210 A CA 1.872 53.580 52.037 -0.549 0.000 0.624 1210 A CB -0.774 17.652 19.000 -0.957 0.000 0.822 1210 A HN 0.404 nan 8.150 nan 0.000 0.444 1211 A N -0.100 122.473 122.820 -0.410 0.000 1.865 1211 A HA -0.088 4.231 4.320 -0.000 0.000 0.217 1211 A C 2.378 179.936 177.584 -0.043 0.000 1.191 1211 A CA 2.816 54.748 52.037 -0.175 0.000 0.623 1211 A CB -1.425 17.448 19.000 -0.211 0.000 0.826 1211 A HN 1.229 nan 8.150 nan 0.000 0.444 1212 V N -2.504 117.416 119.914 0.009 0.000 2.515 1212 V HA 0.006 4.126 4.120 -0.000 0.000 0.250 1212 V C 2.516 178.666 176.094 0.094 0.000 1.058 1212 V CA 1.753 64.092 62.300 0.065 0.000 1.064 1212 V CB -1.483 30.339 31.823 -0.000 0.000 0.675 1212 V HN 0.543 nan 8.190 nan 0.000 0.461 1213 A N 0.509 123.333 122.820 0.006 0.000 1.902 1213 A HA -0.063 4.256 4.320 -0.000 0.000 0.217 1213 A C 2.382 180.021 177.584 0.092 0.000 1.181 1213 A CA 2.189 54.250 52.037 0.040 0.000 0.623 1213 A CB -0.847 18.107 19.000 -0.077 0.000 0.818 1213 A HN 0.448 nan 8.150 nan 0.000 0.443 1214 V N -0.899 118.987 119.914 -0.047 0.000 2.307 1214 V HA 0.232 4.351 4.120 -0.000 0.000 0.245 1214 V C 1.362 177.366 176.094 -0.149 0.000 1.045 1214 V CA 1.483 63.746 62.300 -0.063 0.000 1.024 1214 V CB -1.273 30.495 31.823 -0.091 0.000 0.651 1214 V HN 1.318 nan 8.190 nan 0.000 0.449 1215 G N -0.422 108.231 108.800 -0.245 0.000 3.305 1215 G HA2 0.133 4.092 3.960 -0.000 0.000 0.649 1215 G HA3 0.133 4.092 3.960 -0.000 0.000 0.649 1215 G C -0.791 173.925 174.900 -0.306 0.000 1.255 1215 G CA -0.633 44.055 45.100 -0.686 0.000 1.137 1215 G HN 1.049 nan 8.290 nan 0.000 0.535 1216 C N 0.367 119.609 119.300 -0.096 0.000 3.291 1216 C HA 0.849 5.309 4.460 -0.000 0.000 0.316 1216 C C 0.575 175.637 174.990 0.119 0.000 1.391 1216 C CA -0.591 58.444 59.018 0.028 0.000 1.394 1216 C CB 1.934 29.744 27.740 0.116 0.000 1.744 1216 C HN 0.640 nan 8.230 nan 0.000 0.461 1217 D N 0.459 120.860 120.400 0.002 0.000 2.339 1217 D HA 0.381 5.020 4.640 -0.000 0.000 0.217 1217 D C 0.799 176.762 176.300 -0.561 0.000 1.050 1217 D CA 1.328 55.273 54.000 -0.092 0.000 0.856 1217 D CB 0.806 41.597 40.800 -0.015 0.000 0.922 1217 D HN 1.103 nan 8.370 nan 0.000 0.518 1218 G N 0.165 108.563 108.800 -0.671 0.000 2.338 1218 G HA2 0.383 4.343 3.960 -0.000 0.000 0.295 1218 G HA3 0.383 4.343 3.960 -0.000 0.000 0.295 1218 G C -1.470 173.248 174.900 -0.302 0.000 1.461 1218 G CA -0.514 43.940 45.100 -1.077 0.000 0.817 1218 G HN 0.050 nan 8.290 nan 0.000 0.556 1219 V N -1.910 117.926 119.914 -0.129 0.000 2.735 1219 V HA 0.890 5.010 4.120 -0.000 0.000 0.310 1219 V C -1.067 175.093 176.094 0.110 0.000 1.061 1219 V CA -1.247 61.148 62.300 0.158 0.000 0.913 1219 V CB 1.807 33.832 31.823 0.335 0.000 1.005 1219 V HN 1.235 nan 8.190 nan 0.000 0.428 1220 F N 5.382 125.295 119.950 -0.061 0.000 2.426 1220 F HA 0.880 5.406 4.527 -0.000 0.000 0.348 1220 F C -0.459 175.297 175.800 -0.073 0.000 1.124 1220 F CA -1.193 56.753 58.000 -0.090 0.000 1.008 1220 F CB 1.680 40.609 39.000 -0.118 0.000 1.139 1220 F HN 0.614 nan 8.300 nan 0.000 0.452 1221 M N 5.852 125.386 119.600 -0.110 0.000 2.213 1221 M HA 0.332 4.812 4.480 -0.000 0.000 0.286 1221 M C -0.968 175.206 176.300 -0.210 0.000 1.008 1221 M CA -0.541 54.727 55.300 -0.053 0.000 0.937 1221 M CB 2.428 35.013 32.600 -0.025 0.000 1.600 1221 M HN 0.512 nan 8.290 nan 0.000 0.450 1222 E N 1.271 121.402 120.200 -0.114 0.000 2.313 1222 E HA 0.556 4.905 4.350 -0.000 0.000 0.272 1222 E C -0.511 176.036 176.600 -0.089 0.000 1.038 1222 E CA -0.298 56.018 56.400 -0.141 0.000 0.863 1222 E CB 2.147 31.819 29.700 -0.047 0.000 1.060 1222 E HN 0.540 nan 8.360 nan 0.000 0.402 1223 T N 1.124 115.626 114.554 -0.087 0.000 2.864 1223 T HA 0.286 4.636 4.350 -0.000 0.000 0.299 1223 T C -1.855 172.868 174.700 0.038 0.000 1.166 1223 T CA -0.604 61.476 62.100 -0.033 0.000 1.007 1223 T CB 1.449 70.278 68.868 -0.064 0.000 1.219 1223 T HN 0.481 nan 8.240 nan 0.000 0.506 1224 H N 1.739 120.776 119.070 -0.054 0.000 3.085 1224 H HA 0.329 4.884 4.556 -0.000 0.000 0.356 1224 H C -2.562 172.750 175.328 -0.028 0.000 1.178 1224 H CA -1.359 54.668 56.048 -0.036 0.000 1.214 1224 H CB 2.557 32.299 29.762 -0.034 0.000 1.881 1224 H HN 0.334 nan 8.280 nan 0.000 0.538 1225 P HA -0.070 nan 4.420 nan 0.000 0.216 1225 P C -0.634 176.767 177.300 0.169 0.000 1.150 1225 P CA 1.411 64.530 63.100 0.032 0.000 0.837 1225 P CB 0.422 32.082 31.700 -0.067 0.000 0.786 1226 E N -2.160 118.306 120.200 0.443 0.000 2.914 1226 E HA 0.157 4.507 4.350 -0.000 0.000 0.246 1226 E C -2.233 174.365 176.600 -0.002 0.000 1.146 1226 E CA -1.702 54.812 56.400 0.190 0.000 0.803 1226 E CB 1.141 30.918 29.700 0.128 0.000 1.409 1226 E HN 0.057 nan 8.360 nan 0.000 0.392 1227 P HA -0.312 nan 4.420 nan 0.000 0.218 1227 P C 1.050 178.227 177.300 -0.206 0.000 1.154 1227 P CA 1.661 64.672 63.100 -0.147 0.000 0.872 1227 P CB 0.205 31.875 31.700 -0.050 0.000 0.790 1228 E N 0.194 120.319 120.200 -0.125 0.000 2.171 1228 E HA -0.215 4.134 4.350 -0.000 0.000 0.197 1228 E C 1.384 177.902 176.600 -0.136 0.000 0.997 1228 E CA 1.310 57.648 56.400 -0.103 0.000 0.810 1228 E CB -0.826 28.838 29.700 -0.059 0.000 0.738 1228 E HN 0.310 nan 8.360 nan 0.000 0.467 1229 K N 0.590 120.874 120.400 -0.193 0.000 2.404 1229 K HA 0.295 4.615 4.320 -0.000 0.000 0.194 1229 K C 0.251 176.675 176.600 -0.294 0.000 1.023 1229 K CA 0.139 56.315 56.287 -0.185 0.000 1.094 1229 K CB 0.613 33.055 32.500 -0.096 0.000 0.841 1229 K HN 0.129 nan 8.250 nan 0.000 0.523 1230 A N 1.297 123.829 122.820 -0.481 0.000 2.540 1230 A HA 0.001 4.320 4.320 -0.000 0.000 0.239 1230 A C 0.989 178.456 177.584 -0.196 0.000 1.061 1230 A CA 0.079 51.857 52.037 -0.433 0.000 0.758 1230 A CB 0.002 18.779 19.000 -0.372 0.000 0.991 1230 A HN 0.320 nan 8.150 nan 0.000 0.502 1231 L N 1.774 122.895 121.223 -0.171 0.000 2.610 1231 L HA 0.039 4.379 4.340 -0.000 0.000 0.232 1231 L C 0.708 177.579 176.870 0.002 0.000 1.149 1231 L CA 0.947 55.687 54.840 -0.167 0.000 0.872 1231 L CB -0.748 40.984 42.059 -0.545 0.000 0.992 1231 L HN 0.834 nan 8.230 nan 0.000 0.447 1232 S N -2.765 112.945 115.700 0.016 0.000 2.543 1232 S HA 0.252 4.722 4.470 -0.000 0.000 0.273 1232 S C -0.385 174.228 174.600 0.021 0.000 1.152 1232 S CA -0.914 57.325 58.200 0.065 0.000 0.910 1232 S CB 1.774 65.059 63.200 0.141 0.000 1.105 1232 S HN 0.220 nan 8.310 nan 0.000 0.465 1233 D N 0.586 120.994 120.400 0.013 0.000 2.837 1233 D HA -0.236 4.404 4.640 -0.000 0.000 0.230 1233 D C 1.362 177.630 176.300 -0.053 0.000 1.152 1233 D CA 0.993 54.978 54.000 -0.025 0.000 0.736 1233 D CB -1.298 39.469 40.800 -0.055 0.000 1.084 1233 D HN 0.860 nan 8.370 nan 0.000 0.429 1234 A N 0.881 123.668 122.820 -0.055 0.000 1.884 1234 A HA -0.175 4.145 4.320 -0.000 0.000 0.219 1234 A C 0.080 177.624 177.584 -0.067 0.000 1.197 1234 A CA 2.066 54.053 52.037 -0.084 0.000 0.637 1234 A CB -1.238 17.710 19.000 -0.086 0.000 0.827 1234 A HN 0.342 nan 8.150 nan 0.000 0.450 1235 P HA -0.107 nan 4.420 nan 0.000 0.234 1235 P C 0.842 178.122 177.300 -0.033 0.000 1.162 1235 P CA 1.905 64.987 63.100 -0.031 0.000 0.759 1235 P CB -0.401 31.292 31.700 -0.011 0.000 0.813 1236 T N -5.087 109.436 114.554 -0.052 0.000 2.975 1236 T HA 0.428 4.778 4.350 -0.000 0.000 0.257 1236 T C 0.965 175.629 174.700 -0.060 0.000 1.003 1236 T CA -0.050 62.013 62.100 -0.061 0.000 0.932 1236 T CB -0.260 68.540 68.868 -0.114 0.000 1.087 1236 T HN 0.069 nan 8.240 nan 0.000 0.512 1237 A N 2.219 125.004 122.820 -0.058 0.000 2.488 1237 A HA 0.563 4.883 4.320 -0.000 0.000 0.249 1237 A C -0.040 177.531 177.584 -0.021 0.000 1.083 1237 A CA -0.403 51.612 52.037 -0.037 0.000 0.768 1237 A CB -0.187 18.796 19.000 -0.028 0.000 1.017 1237 A HN 0.420 nan 8.150 nan 0.000 0.496 1238 L N 4.684 125.897 121.223 -0.016 0.000 2.326 1238 L HA 0.415 4.755 4.340 -0.000 0.000 0.278 1238 L C -2.118 174.747 176.870 -0.008 0.000 1.092 1238 L CA -1.882 52.947 54.840 -0.018 0.000 0.810 1238 L CB 0.842 42.883 42.059 -0.030 0.000 1.153 1238 L HN 0.397 nan 8.230 nan 0.000 0.439 1239 P HA -0.049 nan 4.420 nan 0.000 0.264 1239 P C 0.565 177.858 177.300 -0.012 0.000 1.193 1239 P CA -0.115 62.985 63.100 -0.000 0.000 0.763 1239 P CB 0.520 32.214 31.700 -0.010 0.000 0.810 1240 L N 4.625 125.845 121.223 -0.005 0.000 2.129 1240 L HA -0.219 4.121 4.340 -0.000 0.000 0.212 1240 L C 1.960 178.813 176.870 -0.028 0.000 1.087 1240 L CA 2.393 57.218 54.840 -0.025 0.000 0.757 1240 L CB -1.348 40.691 42.059 -0.034 0.000 0.896 1240 L HN 0.383 nan 8.230 nan 0.000 0.434 1241 S N -2.176 113.510 115.700 -0.022 0.000 2.481 1241 S HA -0.159 4.311 4.470 -0.000 0.000 0.231 1241 S C 1.738 176.322 174.600 -0.027 0.000 0.996 1241 S CA 0.738 58.926 58.200 -0.021 0.000 0.942 1241 S CB -0.434 62.756 63.200 -0.015 0.000 0.768 1241 S HN 0.670 nan 8.310 nan 0.000 0.520 1242 Q N -0.219 119.556 119.800 -0.041 0.000 2.424 1242 Q HA 0.258 4.598 4.340 -0.000 0.000 0.204 1242 Q C 1.467 177.410 176.000 -0.094 0.000 0.933 1242 Q CA -0.001 55.759 55.803 -0.071 0.000 0.929 1242 Q CB -0.167 28.519 28.738 -0.086 0.000 1.037 1242 Q HN 0.368 nan 8.270 nan 0.000 0.511 1243 L N 1.297 122.484 121.223 -0.060 0.000 2.012 1243 L HA -0.241 4.099 4.340 -0.000 0.000 0.210 1243 L C 2.236 179.089 176.870 -0.029 0.000 1.073 1243 L CA 1.875 56.686 54.840 -0.049 0.000 0.748 1243 L CB -0.548 41.501 42.059 -0.017 0.000 0.891 1243 L HN 0.267 nan 8.230 nan 0.000 0.431 1244 E N -0.975 119.242 120.200 0.027 0.000 2.049 1244 E HA -0.238 4.112 4.350 -0.000 0.000 0.198 1244 E C 2.127 178.765 176.600 0.064 0.000 1.007 1244 E CA 1.311 57.787 56.400 0.126 0.000 0.809 1244 E CB -0.409 29.384 29.700 0.155 0.000 0.749 1244 E HN 0.539 nan 8.360 nan 0.000 0.450 1245 G N 1.451 110.248 108.800 -0.005 0.000 2.440 1245 G HA2 -0.233 3.726 3.960 -0.000 0.000 0.218 1245 G HA3 -0.233 3.726 3.960 -0.000 0.000 0.218 1245 G C 1.546 176.363 174.900 -0.139 0.000 1.154 1245 G CA 0.874 45.949 45.100 -0.041 0.000 0.767 1245 G HN 0.207 nan 8.290 nan 0.000 0.552 1246 I N 1.183 121.587 120.570 -0.277 0.000 2.163 1246 I HA -0.122 4.048 4.170 -0.000 0.000 0.243 1246 I C 2.852 178.870 176.117 -0.164 0.000 1.085 1246 I CA 0.931 62.001 61.300 -0.382 0.000 1.347 1246 I CB -1.078 36.705 38.000 -0.362 0.000 1.044 1246 I HN 0.189 nan 8.210 nan 0.000 0.408 1247 I N 0.589 121.047 120.570 -0.187 0.000 2.226 1247 I HA -0.297 3.873 4.170 -0.000 0.000 0.245 1247 I C 2.578 178.469 176.117 -0.376 0.000 1.100 1247 I CA 1.359 62.471 61.300 -0.312 0.000 1.374 1247 I CB -0.355 37.345 38.000 -0.500 0.000 1.057 1247 I HN 0.218 nan 8.210 nan 0.000 0.413 1248 E N 1.704 121.757 120.200 -0.245 0.000 2.051 1248 E HA -0.224 4.125 4.350 -0.000 0.000 0.192 1248 E C 2.117 178.712 176.600 -0.008 0.000 0.991 1248 E CA 1.918 58.295 56.400 -0.039 0.000 0.799 1248 E CB -0.253 29.538 29.700 0.150 0.000 0.748 1248 E HN 0.400 nan 8.360 nan 0.000 0.449 1249 A N 1.336 124.179 122.820 0.038 0.000 1.908 1249 A HA -0.159 4.160 4.320 -0.000 0.000 0.218 1249 A C 2.442 180.054 177.584 0.047 0.000 1.181 1249 A CA 1.925 54.031 52.037 0.116 0.000 0.627 1249 A CB -1.141 18.073 19.000 0.357 0.000 0.818 1249 A HN 0.576 nan 8.150 nan 0.000 0.445 1250 I N -2.481 118.087 120.570 -0.004 0.000 2.226 1250 I HA -0.207 3.963 4.170 -0.000 0.000 0.245 1250 I C 2.140 178.130 176.117 -0.212 0.000 1.100 1250 I CA 1.577 62.815 61.300 -0.103 0.000 1.374 1250 I CB -0.476 37.427 38.000 -0.161 0.000 1.057 1250 I HN 0.232 nan 8.210 nan 0.000 0.413 1251 L N 0.941 122.041 121.223 -0.206 0.000 2.083 1251 L HA -0.137 4.203 4.340 -0.000 0.000 0.209 1251 L C 2.750 179.563 176.870 -0.095 0.000 1.083 1251 L CA 1.544 56.276 54.840 -0.179 0.000 0.752 1251 L CB -0.650 41.343 42.059 -0.110 0.000 0.899 1251 L HN 0.336 nan 8.230 nan 0.000 0.433 1252 E N 0.313 120.484 120.200 -0.047 0.000 2.047 1252 E HA -0.181 4.169 4.350 -0.000 0.000 0.191 1252 E C 2.292 178.870 176.600 -0.037 0.000 0.987 1252 E CA 1.107 57.495 56.400 -0.021 0.000 0.799 1252 E CB -0.061 29.645 29.700 0.010 0.000 0.752 1252 E HN 0.478 nan 8.360 nan 0.000 0.449 1253 I N 0.923 121.468 120.570 -0.042 0.000 2.252 1253 I HA -0.249 3.921 4.170 -0.000 0.000 0.245 1253 I C 2.778 178.864 176.117 -0.051 0.000 1.102 1253 I CA 0.964 62.240 61.300 -0.040 0.000 1.385 1253 I CB -0.250 37.727 38.000 -0.037 0.000 1.064 1253 I HN 0.026 nan 8.210 nan 0.000 0.414 1254 R N 0.998 121.444 120.500 -0.089 0.000 2.096 1254 R HA -0.249 4.091 4.340 -0.000 0.000 0.235 1254 R C 2.218 178.447 176.300 -0.118 0.000 1.127 1254 R CA 1.789 57.837 56.100 -0.088 0.000 0.968 1254 R CB -0.096 30.081 30.300 -0.206 0.000 0.861 1254 R HN 0.219 nan 8.270 nan 0.000 0.440 1255 E N 0.217 120.356 120.200 -0.102 0.000 2.051 1255 E HA -0.161 4.189 4.350 -0.000 0.000 0.192 1255 E C 1.762 178.290 176.600 -0.120 0.000 0.991 1255 E CA 1.651 57.992 56.400 -0.097 0.000 0.799 1255 E CB -0.435 29.229 29.700 -0.059 0.000 0.748 1255 E HN 0.200 nan 8.360 nan 0.000 0.449 1256 V N -0.115 119.749 119.914 -0.084 0.000 2.591 1256 V HA 0.041 4.160 4.120 -0.000 0.000 0.249 1256 V C 2.008 178.068 176.094 -0.057 0.000 1.053 1256 V CA 1.869 64.134 62.300 -0.058 0.000 1.068 1256 V CB -0.294 31.530 31.823 0.001 0.000 0.689 1256 V HN 0.397 nan 8.190 nan 0.000 0.462 1257 A N 0.308 123.084 122.820 -0.075 0.000 2.016 1257 A HA -0.066 4.254 4.320 -0.000 0.000 0.217 1257 A C 2.477 179.725 177.584 -0.560 0.000 1.162 1257 A CA 1.621 53.625 52.037 -0.055 0.000 0.662 1257 A CB -0.767 18.267 19.000 0.057 0.000 0.812 1257 A HN 0.850 nan 8.150 nan 0.000 0.450 1258 S N 1.650 116.852 115.700 -0.830 0.000 2.407 1258 S HA -0.324 4.146 4.470 -0.000 0.000 0.235 1258 S C 1.837 175.947 174.600 -0.818 0.000 1.036 1258 S CA 1.784 59.215 58.200 -1.282 0.000 1.013 1258 S CB -0.620 62.256 63.200 -0.540 0.000 0.820 1258 S HN 0.818 nan 8.310 nan 0.000 0.476 1259 K N 0.398 120.442 120.400 -0.594 0.000 2.288 1259 K HA -0.045 4.275 4.320 -0.000 0.000 0.201 1259 K C 1.230 177.542 176.600 -0.480 0.000 1.048 1259 K CA 1.113 57.088 56.287 -0.520 0.000 0.956 1259 K CB -0.514 31.626 32.500 -0.600 0.000 0.746 1259 K HN 0.561 nan 8.250 nan 0.000 0.461 1260 Y N 0.442 120.635 120.300 -0.178 0.000 2.466 1260 Y HA 0.138 4.688 4.550 -0.000 0.000 0.272 1260 Y C 0.028 175.984 175.900 0.093 0.000 1.169 1260 Y CA -0.823 57.252 58.100 -0.042 0.000 1.285 1260 Y CB -0.050 38.392 38.460 -0.030 0.000 1.078 1260 Y HN -0.070 nan 8.280 nan 0.000 0.523 1261 Y N 2.509 122.856 120.300 0.079 0.000 2.745 1261 Y HA -0.016 4.533 4.550 -0.001 0.000 0.335 1261 Y C 0.385 176.304 175.900 0.033 0.000 1.212 1261 Y CA -0.851 57.279 58.100 0.049 0.000 1.535 1261 Y CB 0.110 38.586 38.460 0.027 0.000 1.220 1261 Y HN 0.107 nan 8.280 nan 0.000 0.531 1262 E N 2.097 122.407 120.200 0.183 0.000 2.414 1262 E HA 0.030 4.380 4.350 -0.000 0.000 0.263 1262 E C -0.157 176.481 176.600 0.062 0.000 1.000 1262 E CA 0.098 56.555 56.400 0.095 0.000 0.914 1262 E CB 0.409 30.143 29.700 0.057 0.000 0.948 1262 E HN 0.392 nan 8.360 nan 0.000 0.444 1263 T N 3.824 118.405 114.554 0.046 0.000 2.870 1263 T HA 0.249 4.599 4.350 -0.000 0.000 0.300 1263 T C 0.906 175.607 174.700 0.002 0.000 0.989 1263 T CA -0.464 61.652 62.100 0.026 0.000 1.139 1263 T CB -0.022 68.860 68.868 0.023 0.000 0.920 1263 T HN 0.351 nan 8.240 nan 0.000 0.537 1264 I N 0.000 120.561 120.570 -0.016 0.000 2.984 1264 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 1264 I CA 0.000 61.276 61.300 -0.039 0.000 1.566 1264 I CB 0.000 37.957 38.000 -0.072 0.000 1.214 1264 I HN 0.000 nan 8.210 nan 0.000 0.494