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 2wyr_1_D DATA FIRST_RESID 994 DATA SEQUENCE MSMIEKLKKF TQIPGISGYE ERIREEIIRE IKDFADYKVD AIGNLIVELG DATA SEQUENCE EGEERILFMA HMDEIGLLIT GITDEGKLRF RKVGGIDDRL LYGRHVNVVT DATA SEQUENCE EKGILDGVIG ATPPHLXXXX XXSVIPWYDL VIDIGAESKE EALELVKPLD DATA SEQUENCE FAVFKKHFSV LNGKYVSTRG LDDRFGVVAL IEAIKDLVDH ELEGKVIFAF DATA SEQUENCE TVQEEVGLKG AKFLANHYYP QYAFAIDSFA CCSPLTGDVK LGKGPVIRAV DATA SEQUENCE DNSAIYSRDL ARKVWSIAEK NGIEIQIGVT GGGTDASAFQ DRSKTLALSV DATA SEQUENCE PIKYLHSEVE TLHLNDLEKL VKLIEALAFE L VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 994 M HA 0.000 nan 4.480 nan 0.000 0.227 994 M C 0.000 176.308 176.300 0.013 0.000 1.140 994 M CA 0.000 55.305 55.300 0.008 0.000 0.988 994 M CB 0.000 32.608 32.600 0.014 0.000 1.302 995 S N 3.383 119.090 115.700 0.010 0.000 2.655 995 S HA 0.419 4.891 4.470 0.004 0.000 0.265 995 S C 0.819 175.437 174.600 0.030 0.000 1.240 995 S CA -0.484 57.726 58.200 0.017 0.000 0.986 995 S CB 1.088 64.298 63.200 0.016 0.000 0.985 995 S HN 0.904 nan 8.310 nan 0.000 0.562 996 M N 0.863 120.485 119.600 0.036 0.000 2.086 996 M HA 0.045 4.527 4.480 0.004 0.000 0.261 996 M C 1.709 178.064 176.300 0.092 0.000 1.067 996 M CA 1.430 56.763 55.300 0.055 0.000 1.116 996 M CB -1.244 31.382 32.600 0.044 0.000 1.348 996 M HN 0.811 nan 8.290 nan 0.000 0.407 997 I N 0.185 120.815 120.570 0.099 0.000 2.113 997 I HA -0.384 3.788 4.170 0.004 0.000 0.242 997 I C 2.041 178.193 176.117 0.060 0.000 1.064 997 I CA 2.078 63.475 61.300 0.162 0.000 1.320 997 I CB -0.677 37.416 38.000 0.156 0.000 1.028 997 I HN 0.432 nan 8.210 nan 0.000 0.406 998 E N 0.520 120.716 120.200 -0.007 0.000 2.208 998 E HA -0.181 4.171 4.350 0.004 0.000 0.193 998 E C 2.048 178.626 176.600 -0.036 0.000 0.988 998 E CA 0.703 57.053 56.400 -0.082 0.000 0.828 998 E CB -0.122 29.542 29.700 -0.059 0.000 0.763 998 E HN 0.502 nan 8.360 nan 0.000 0.478 999 K N 0.764 121.194 120.400 0.049 0.000 2.097 999 K HA -0.051 4.271 4.320 0.004 0.000 0.205 999 K C 2.210 178.941 176.600 0.218 0.000 1.050 999 K CA 0.694 57.066 56.287 0.143 0.000 0.938 999 K CB -0.021 32.564 32.500 0.140 0.000 0.718 999 K HN 0.125 nan 8.250 nan 0.000 0.442 1000 L N 0.991 122.323 121.223 0.182 0.000 2.005 1000 L HA -0.170 4.172 4.340 0.004 0.000 0.207 1000 L C 2.602 179.613 176.870 0.235 0.000 1.072 1000 L CA 1.252 56.254 54.840 0.270 0.000 0.744 1000 L CB -0.394 41.880 42.059 0.360 0.000 0.895 1000 L HN 0.120 nan 8.230 nan 0.000 0.433 1001 K N 0.703 121.067 120.400 -0.060 0.000 2.059 1001 K HA -0.297 4.025 4.320 0.004 0.000 0.212 1001 K C 2.231 178.741 176.600 -0.150 0.000 1.050 1001 K CA 1.968 57.990 56.287 -0.443 0.000 0.927 1001 K CB -0.073 31.794 32.500 -1.055 0.000 0.714 1001 K HN 0.112 nan 8.250 nan 0.000 0.447 1002 K N -0.394 119.937 120.400 -0.115 0.000 2.002 1002 K HA -0.161 4.161 4.320 0.004 0.000 0.209 1002 K C 1.922 178.416 176.600 -0.177 0.000 1.048 1002 K CA 1.806 57.991 56.287 -0.170 0.000 0.930 1002 K CB -0.214 32.154 32.500 -0.220 0.000 0.714 1002 K HN 0.125 nan 8.250 nan 0.000 0.438 1003 F N 1.128 121.068 119.950 -0.018 0.000 2.367 1003 F HA -0.098 4.431 4.527 0.004 0.000 0.298 1003 F C 2.536 178.349 175.800 0.022 0.000 1.094 1003 F CA 1.561 59.556 58.000 -0.009 0.000 1.409 1003 F CB -0.223 38.768 39.000 -0.015 0.000 1.064 1003 F HN 0.243 nan 8.300 nan 0.000 0.528 1004 T N -2.935 111.748 114.554 0.215 0.000 2.951 1004 T HA -0.142 4.210 4.350 0.004 0.000 0.268 1004 T C 1.723 176.496 174.700 0.122 0.000 1.073 1004 T CA 0.726 62.938 62.100 0.186 0.000 1.134 1004 T CB -0.233 68.789 68.868 0.257 0.000 0.884 1004 T HN 0.168 nan 8.240 nan 0.000 0.479 1005 Q N 0.646 120.485 119.800 0.064 0.000 2.369 1005 Q HA 0.225 4.567 4.340 0.004 0.000 0.206 1005 Q C 0.730 176.735 176.000 0.008 0.000 0.963 1005 Q CA 0.321 56.138 55.803 0.025 0.000 0.894 1005 Q CB -0.306 28.416 28.738 -0.027 0.000 0.965 1005 Q HN 0.633 nan 8.270 nan 0.000 0.475 1006 I N 3.974 124.546 120.570 0.002 0.000 2.471 1006 I HA 0.039 4.211 4.170 0.004 0.000 0.286 1006 I C -2.009 174.143 176.117 0.058 0.000 1.079 1006 I CA -1.653 59.649 61.300 0.004 0.000 1.398 1006 I CB 0.688 38.675 38.000 -0.023 0.000 1.403 1006 I HN -0.127 nan 8.210 nan 0.000 0.530 1007 P HA 0.284 nan 4.420 nan 0.000 0.287 1007 P C -0.329 177.114 177.300 0.239 0.000 1.281 1007 P CA -0.270 62.928 63.100 0.163 0.000 0.781 1007 P CB 1.363 33.148 31.700 0.142 0.000 0.903 1008 G N 4.070 112.966 108.800 0.160 0.000 2.167 1008 G HA2 0.420 4.382 3.960 0.004 0.000 0.300 1008 G HA3 0.420 4.382 3.960 0.004 0.000 0.300 1008 G C -0.349 174.459 174.900 -0.154 0.000 1.842 1008 G CA -0.601 44.491 45.100 -0.014 0.000 1.035 1008 G HN 0.559 nan 8.290 nan 0.000 0.489 1009 I N -0.639 119.661 120.570 -0.450 0.000 3.276 1009 I HA 0.689 4.861 4.170 0.004 0.000 0.306 1009 I C 0.641 176.653 176.117 -0.176 0.000 1.060 1009 I CA -0.728 60.388 61.300 -0.307 0.000 1.133 1009 I CB 0.891 38.648 38.000 -0.406 0.000 1.473 1009 I HN 0.241 nan 8.210 nan 0.000 0.649 1010 S N 1.635 117.285 115.700 -0.085 0.000 2.546 1010 S HA 0.301 4.773 4.470 0.004 0.000 0.290 1010 S C 1.054 175.674 174.600 0.035 0.000 1.290 1010 S CA 0.560 58.747 58.200 -0.021 0.000 1.069 1010 S CB 0.247 63.436 63.200 -0.019 0.000 0.846 1010 S HN 1.298 nan 8.310 nan 0.000 0.495 1011 G N 2.277 111.063 108.800 -0.024 0.000 2.179 1011 G HA2 -0.285 3.678 3.960 0.004 0.000 0.260 1011 G HA3 -0.285 3.678 3.960 0.004 0.000 0.260 1011 G C -0.033 174.684 174.900 -0.306 0.000 0.977 1011 G CA 0.156 45.179 45.100 -0.128 0.000 0.641 1011 G HN 0.728 nan 8.290 nan 0.000 0.533 1012 Y N 0.284 120.442 120.300 -0.236 0.000 2.577 1012 Y HA 0.497 5.049 4.550 0.003 0.000 0.307 1012 Y C 1.116 176.888 175.900 -0.213 0.000 0.940 1012 Y CA -0.412 57.518 58.100 -0.282 0.000 1.132 1012 Y CB 0.700 38.756 38.460 -0.674 0.000 1.184 1012 Y HN 0.227 nan 8.280 nan 0.000 0.611 1013 E N -0.285 119.895 120.200 -0.032 0.000 2.489 1013 E HA -0.046 4.306 4.350 0.004 0.000 0.193 1013 E C 1.270 177.875 176.600 0.009 0.000 1.057 1013 E CA 0.234 56.629 56.400 -0.007 0.000 0.866 1013 E CB 0.186 29.883 29.700 -0.005 0.000 0.916 1013 E HN 0.464 nan 8.360 nan 0.000 0.500 1014 E N 0.846 121.054 120.200 0.014 0.000 2.113 1014 E HA -0.287 4.065 4.350 0.004 0.000 0.210 1014 E C 1.748 178.357 176.600 0.015 0.000 1.040 1014 E CA 1.664 58.072 56.400 0.014 0.000 0.847 1014 E CB -0.174 29.547 29.700 0.035 0.000 0.755 1014 E HN 0.215 nan 8.360 nan 0.000 0.459 1015 R N -0.251 120.276 120.500 0.044 0.000 2.081 1015 R HA -0.080 4.262 4.340 0.004 0.000 0.235 1015 R C 2.335 178.635 176.300 0.001 0.000 1.131 1015 R CA 1.328 57.442 56.100 0.024 0.000 0.960 1015 R CB -0.388 29.941 30.300 0.049 0.000 0.856 1015 R HN 0.165 nan 8.270 nan 0.000 0.436 1016 I N 0.332 120.915 120.570 0.022 0.000 2.252 1016 I HA -0.201 3.971 4.170 0.004 0.000 0.245 1016 I C 2.543 178.661 176.117 0.002 0.000 1.102 1016 I CA 1.237 62.561 61.300 0.040 0.000 1.385 1016 I CB -0.366 37.675 38.000 0.067 0.000 1.064 1016 I HN 0.043 nan 8.210 nan 0.000 0.414 1017 R N 0.844 121.323 120.500 -0.034 0.000 2.080 1017 R HA -0.193 4.150 4.340 0.004 0.000 0.236 1017 R C 2.259 178.486 176.300 -0.123 0.000 1.137 1017 R CA 1.643 57.687 56.100 -0.094 0.000 0.943 1017 R CB -0.153 30.107 30.300 -0.066 0.000 0.846 1017 R HN 0.316 nan 8.270 nan 0.000 0.431 1018 E N 0.453 120.603 120.200 -0.083 0.000 2.070 1018 E HA -0.215 4.137 4.350 0.004 0.000 0.197 1018 E C 1.877 178.420 176.600 -0.095 0.000 1.004 1018 E CA 1.155 57.502 56.400 -0.089 0.000 0.805 1018 E CB -0.158 29.509 29.700 -0.054 0.000 0.744 1018 E HN 0.407 nan 8.360 nan 0.000 0.451 1019 E N 0.455 120.607 120.200 -0.079 0.000 2.204 1019 E HA -0.106 4.246 4.350 0.004 0.000 0.195 1019 E C 2.238 178.845 176.600 0.012 0.000 0.990 1019 E CA 0.483 56.826 56.400 -0.096 0.000 0.821 1019 E CB -0.197 29.357 29.700 -0.243 0.000 0.750 1019 E HN 0.399 nan 8.360 nan 0.000 0.477 1020 I N 0.411 120.975 120.570 -0.011 0.000 2.333 1020 I HA -0.159 4.013 4.170 0.004 0.000 0.246 1020 I C 2.322 178.295 176.117 -0.241 0.000 1.106 1020 I CA 0.600 61.805 61.300 -0.158 0.000 1.411 1020 I CB -0.170 37.514 38.000 -0.526 0.000 1.082 1020 I HN -0.004 nan 8.210 nan 0.000 0.420 1021 I N 0.618 121.010 120.570 -0.298 0.000 2.657 1021 I HA -0.276 3.896 4.170 0.004 0.000 0.261 1021 I C 2.602 178.597 176.117 -0.203 0.000 1.212 1021 I CA 1.019 62.068 61.300 -0.419 0.000 1.453 1021 I CB -0.248 37.461 38.000 -0.484 0.000 1.092 1021 I HN 0.201 nan 8.210 nan 0.000 0.452 1022 R N 1.498 121.934 120.500 -0.105 0.000 2.080 1022 R HA -0.106 4.236 4.340 0.004 0.000 0.222 1022 R C 1.754 178.065 176.300 0.019 0.000 1.107 1022 R CA 1.208 57.287 56.100 -0.035 0.000 0.980 1022 R CB 0.022 30.298 30.300 -0.041 0.000 0.879 1022 R HN 0.489 nan 8.270 nan 0.000 0.439 1023 E N -1.110 119.112 120.200 0.038 0.000 2.465 1023 E HA 0.050 4.403 4.350 0.004 0.000 0.195 1023 E C 0.495 177.175 176.600 0.134 0.000 1.028 1023 E CA 0.031 56.495 56.400 0.107 0.000 0.899 1023 E CB 0.391 30.163 29.700 0.120 0.000 1.032 1023 E HN 0.193 nan 8.360 nan 0.000 0.468 1024 I N 1.614 122.223 120.570 0.065 0.000 4.070 1024 I HA -0.023 4.149 4.170 0.004 0.000 0.328 1024 I C 2.017 178.256 176.117 0.203 0.000 1.298 1024 I CA 0.208 61.569 61.300 0.101 0.000 1.173 1024 I CB 0.367 38.348 38.000 -0.032 0.000 1.051 1024 I HN 0.024 nan 8.210 nan 0.000 0.409 1025 K N 0.479 120.974 120.400 0.159 0.000 2.148 1025 K HA -0.169 4.154 4.320 0.004 0.000 0.204 1025 K C 0.744 177.433 176.600 0.148 0.000 1.050 1025 K CA 1.641 58.053 56.287 0.208 0.000 0.942 1025 K CB -0.064 32.527 32.500 0.152 0.000 0.724 1025 K HN 0.157 nan 8.250 nan 0.000 0.446 1026 D N -0.567 119.904 120.400 0.118 0.000 2.355 1026 D HA -0.012 4.630 4.640 0.004 0.000 0.218 1026 D C 0.704 176.828 176.300 -0.294 0.000 1.004 1026 D CA 0.698 54.633 54.000 -0.108 0.000 0.880 1026 D CB 0.144 40.795 40.800 -0.248 0.000 0.911 1026 D HN 0.282 nan 8.370 nan 0.000 0.528 1027 F N -0.226 119.744 119.950 0.034 0.000 2.819 1027 F HA 0.442 4.971 4.527 0.004 0.000 0.325 1027 F C 0.643 176.462 175.800 0.032 0.000 1.041 1027 F CA -0.238 57.775 58.000 0.022 0.000 1.184 1027 F CB 0.865 39.864 39.000 -0.001 0.000 1.019 1027 F HN -0.196 nan 8.300 nan 0.000 0.590 1028 A N -0.497 122.463 122.820 0.234 0.000 2.608 1028 A HA 0.486 4.809 4.320 0.004 0.000 0.292 1028 A C -1.527 176.163 177.584 0.176 0.000 1.066 1028 A CA -0.928 51.213 52.037 0.174 0.000 0.676 1028 A CB 0.602 19.695 19.000 0.156 0.000 1.277 1028 A HN -0.078 nan 8.150 nan 0.000 0.413 1029 D N 0.219 120.684 120.400 0.108 0.000 2.360 1029 D HA 0.522 5.164 4.640 0.004 0.000 0.242 1029 D C -0.446 175.931 176.300 0.128 0.000 1.184 1029 D CA 1.121 55.136 54.000 0.026 0.000 0.930 1029 D CB 0.563 41.357 40.800 -0.010 0.000 1.161 1029 D HN 0.639 nan 8.370 nan 0.000 0.447 1030 Y N -2.375 117.975 120.300 0.083 0.000 2.689 1030 Y HA 0.584 5.136 4.550 0.004 0.000 0.333 1030 Y C -1.145 174.809 175.900 0.090 0.000 1.208 1030 Y CA -1.284 56.874 58.100 0.097 0.000 1.055 1030 Y CB 1.560 40.075 38.460 0.092 0.000 1.304 1030 Y HN 0.293 nan 8.280 nan 0.000 0.455 1031 K N 1.191 121.814 120.400 0.372 0.000 2.532 1031 K HA 0.805 5.127 4.320 0.004 0.000 0.265 1031 K C -2.346 174.419 176.600 0.276 0.000 0.948 1031 K CA -0.884 55.550 56.287 0.246 0.000 0.842 1031 K CB 2.883 35.485 32.500 0.169 0.000 1.392 1031 K HN 0.713 nan 8.250 nan 0.000 0.436 1032 V N 2.376 122.407 119.914 0.194 0.000 2.540 1032 V HA 0.243 4.365 4.120 0.004 0.000 0.302 1032 V C -0.436 175.693 176.094 0.059 0.000 1.035 1032 V CA -0.927 61.447 62.300 0.124 0.000 0.873 1032 V CB 1.738 33.623 31.823 0.104 0.000 0.992 1032 V HN 0.818 nan 8.190 nan 0.000 0.428 1033 D N 2.363 122.765 120.400 0.004 0.000 2.360 1033 D HA 0.309 4.952 4.640 0.004 0.000 0.242 1033 D C 1.073 177.266 176.300 -0.177 0.000 1.184 1033 D CA 0.419 54.364 54.000 -0.092 0.000 0.930 1033 D CB 1.833 42.499 40.800 -0.223 0.000 1.161 1033 D HN 0.633 nan 8.370 nan 0.000 0.447 1034 A N 1.618 124.302 122.820 -0.226 0.000 2.121 1034 A HA -0.110 4.212 4.320 0.004 0.000 0.218 1034 A C 2.002 179.349 177.584 -0.395 0.000 1.154 1034 A CA 0.817 52.730 52.037 -0.208 0.000 0.679 1034 A CB -0.334 18.665 19.000 -0.003 0.000 0.795 1034 A HN 0.646 nan 8.150 nan 0.000 0.458 1035 I N -2.889 117.229 120.570 -0.753 0.000 3.708 1035 I HA 0.247 4.420 4.170 0.004 0.000 0.302 1035 I C 1.354 177.276 176.117 -0.325 0.000 1.255 1035 I CA 1.090 62.041 61.300 -0.583 0.000 1.362 1035 I CB 0.536 38.056 38.000 -0.800 0.000 1.100 1035 I HN 0.417 nan 8.210 nan 0.000 0.434 1036 G N 0.807 109.445 108.800 -0.271 0.000 2.227 1036 G HA2 -0.199 3.763 3.960 0.004 0.000 0.168 1036 G HA3 -0.199 3.763 3.960 0.004 0.000 0.168 1036 G C -0.234 174.629 174.900 -0.063 0.000 1.006 1036 G CA -0.520 44.500 45.100 -0.133 0.000 0.684 1036 G HN 0.267 nan 8.290 nan 0.000 0.489 1037 N N 0.380 119.040 118.700 -0.066 0.000 2.454 1037 N HA 0.278 5.021 4.740 0.004 0.000 0.254 1037 N C -0.356 175.204 175.510 0.084 0.000 1.228 1037 N CA 0.257 53.328 53.050 0.034 0.000 0.900 1037 N CB 1.679 40.202 38.487 0.060 0.000 1.089 1037 N HN 0.336 nan 8.380 nan 0.000 0.449 1038 L N 3.799 125.116 121.223 0.157 0.000 2.277 1038 L HA 0.464 4.806 4.340 0.004 0.000 0.284 1038 L C -1.013 176.030 176.870 0.289 0.000 1.028 1038 L CA -0.418 54.546 54.840 0.208 0.000 0.835 1038 L CB 0.393 42.551 42.059 0.165 0.000 1.215 1038 L HN 0.350 nan 8.230 nan 0.000 0.425 1039 I N 5.580 126.289 120.570 0.232 0.000 2.339 1039 I HA 0.399 4.572 4.170 0.004 0.000 0.290 1039 I C -0.435 175.827 176.117 0.243 0.000 0.994 1039 I CA -0.463 60.945 61.300 0.180 0.000 1.191 1039 I CB 1.723 39.797 38.000 0.123 0.000 1.343 1039 I HN 0.189 nan 8.210 nan 0.000 0.458 1040 V N 6.326 126.385 119.914 0.241 0.000 2.384 1040 V HA 0.319 4.441 4.120 0.004 0.000 0.287 1040 V C -0.073 176.156 176.094 0.225 0.000 1.020 1040 V CA -0.647 61.800 62.300 0.245 0.000 0.850 1040 V CB 1.446 33.410 31.823 0.235 0.000 0.987 1040 V HN 0.665 nan 8.190 nan 0.000 0.436 1041 E N 5.618 125.935 120.200 0.196 0.000 2.134 1041 E HA 0.495 4.847 4.350 0.004 0.000 0.278 1041 E C -1.052 175.652 176.600 0.174 0.000 0.959 1041 E CA -0.438 56.075 56.400 0.190 0.000 0.783 1041 E CB 1.950 31.757 29.700 0.178 0.000 1.095 1041 E HN 0.504 nan 8.360 nan 0.000 0.399 1042 L N 2.584 123.928 121.223 0.202 0.000 2.309 1042 L HA 0.541 4.883 4.340 0.004 0.000 0.282 1042 L C 0.803 177.760 176.870 0.146 0.000 1.036 1042 L CA -0.149 54.789 54.840 0.163 0.000 0.806 1042 L CB 1.278 43.442 42.059 0.176 0.000 1.220 1042 L HN 0.858 nan 8.230 nan 0.000 0.429 1043 G N 3.306 112.180 108.800 0.123 0.000 2.725 1043 G HA2 -0.168 3.794 3.960 0.004 0.000 0.220 1043 G HA3 -0.168 3.794 3.960 0.004 0.000 0.220 1043 G C -0.811 174.149 174.900 0.100 0.000 1.357 1043 G CA -0.562 44.605 45.100 0.112 0.000 0.866 1043 G HN 0.635 nan 8.290 nan 0.000 0.548 1044 E N -0.956 119.298 120.200 0.090 0.000 2.408 1044 E HA 0.603 4.956 4.350 0.004 0.000 0.275 1044 E C 0.495 177.140 176.600 0.074 0.000 0.935 1044 E CA 0.032 56.480 56.400 0.079 0.000 0.775 1044 E CB 1.979 31.720 29.700 0.068 0.000 1.277 1044 E HN 2.227 nan 8.360 nan 0.000 0.455 1045 G N 1.485 110.325 108.800 0.068 0.000 2.545 1045 G HA2 -0.178 3.784 3.960 0.004 0.000 0.211 1045 G HA3 -0.178 3.784 3.960 0.004 0.000 0.211 1045 G C -0.815 174.123 174.900 0.063 0.000 1.167 1045 G CA -0.581 44.555 45.100 0.061 0.000 1.151 1045 G HN 0.487 nan 8.290 nan 0.000 0.581 1046 E N 1.278 121.514 120.200 0.061 0.000 2.248 1046 E HA 0.444 4.796 4.350 0.004 0.000 0.272 1046 E C -0.456 176.183 176.600 0.067 0.000 1.008 1046 E CA -0.445 55.991 56.400 0.060 0.000 0.856 1046 E CB 1.213 30.941 29.700 0.046 0.000 1.120 1046 E HN 0.448 nan 8.360 nan 0.000 0.397 1047 E N 2.176 122.419 120.200 0.072 0.000 2.104 1047 E HA 0.034 4.386 4.350 0.004 0.000 0.278 1047 E C 0.536 177.157 176.600 0.035 0.000 1.127 1047 E CA 0.065 56.509 56.400 0.073 0.000 0.897 1047 E CB 0.944 30.711 29.700 0.112 0.000 1.043 1047 E HN 0.337 nan 8.360 nan 0.000 0.410 1048 R N 3.497 124.020 120.500 0.039 0.000 2.074 1048 R HA 0.182 4.524 4.340 0.004 0.000 0.218 1048 R C 0.288 176.632 176.300 0.074 0.000 1.137 1048 R CA 0.660 56.795 56.100 0.058 0.000 0.998 1048 R CB 0.545 30.911 30.300 0.110 0.000 0.895 1048 R HN 0.438 nan 8.270 nan 0.000 0.442 1049 I N 1.522 122.089 120.570 -0.005 0.000 2.582 1049 I HA 0.284 4.457 4.170 0.004 0.000 0.292 1049 I C -1.463 174.467 176.117 -0.312 0.000 1.066 1049 I CA -1.247 59.969 61.300 -0.141 0.000 1.053 1049 I CB 2.387 40.228 38.000 -0.265 0.000 1.241 1049 I HN 0.010 nan 8.210 nan 0.000 0.421 1050 L N 6.255 127.224 121.223 -0.423 0.000 2.313 1050 L HA 0.605 4.947 4.340 0.004 0.000 0.283 1050 L C -1.591 174.912 176.870 -0.613 0.000 1.013 1050 L CA 0.133 54.674 54.840 -0.498 0.000 0.816 1050 L CB 0.972 42.704 42.059 -0.545 0.000 1.236 1050 L HN 0.295 nan 8.230 nan 0.000 0.419 1051 F N 5.553 125.229 119.950 -0.458 0.000 2.427 1051 F HA 0.604 5.134 4.527 0.004 0.000 0.346 1051 F C 0.118 175.704 175.800 -0.358 0.000 1.120 1051 F CA -0.403 57.350 58.000 -0.413 0.000 1.033 1051 F CB 1.752 40.356 39.000 -0.659 0.000 1.126 1051 F HN 0.304 nan 8.300 nan 0.000 0.462 1052 M N 3.547 123.111 119.600 -0.060 0.000 2.253 1052 M HA 0.675 5.157 4.480 0.004 0.000 0.314 1052 M C -0.877 175.386 176.300 -0.061 0.000 1.019 1052 M CA -0.521 54.728 55.300 -0.086 0.000 0.932 1052 M CB 2.027 34.613 32.600 -0.023 0.000 1.606 1052 M HN 0.661 nan 8.290 nan 0.000 0.430 1053 A N 1.984 124.725 122.820 -0.131 0.000 2.371 1053 A HA 0.731 5.053 4.320 0.004 0.000 0.311 1053 A C -1.221 176.357 177.584 -0.010 0.000 1.068 1053 A CA -0.728 51.244 52.037 -0.108 0.000 0.744 1053 A CB 0.554 19.437 19.000 -0.196 0.000 1.239 1053 A HN 0.955 nan 8.150 nan 0.000 0.435 1054 H N 0.253 119.311 119.070 -0.019 0.000 2.487 1054 H HA 0.637 5.196 4.556 0.004 0.000 0.333 1054 H C 0.422 175.774 175.328 0.040 0.000 1.114 1054 H CA -0.757 55.307 56.048 0.027 0.000 1.310 1054 H CB 0.810 30.589 29.762 0.029 0.000 1.462 1054 H HN 0.503 nan 8.280 nan 0.000 0.516 1055 M N 0.907 120.583 119.600 0.126 0.000 2.435 1055 M HA -0.005 4.477 4.480 0.004 0.000 0.265 1055 M C 0.028 176.382 176.300 0.090 0.000 1.104 1055 M CA 0.111 55.452 55.300 0.067 0.000 1.140 1055 M CB 0.183 32.829 32.600 0.078 0.000 1.372 1055 M HN 0.767 nan 8.290 nan 0.000 0.456 1056 D N 2.210 122.724 120.400 0.190 0.000 2.339 1056 D HA 0.103 4.745 4.640 0.004 0.000 0.245 1056 D C -0.317 176.087 176.300 0.173 0.000 1.115 1056 D CA -0.054 54.027 54.000 0.135 0.000 0.917 1056 D CB 0.860 41.713 40.800 0.089 0.000 1.192 1056 D HN 0.420 nan 8.370 nan 0.000 0.428 1057 E N 0.160 120.397 120.200 0.063 0.000 2.393 1057 E HA 0.511 4.864 4.350 0.004 0.000 0.265 1057 E C 0.166 176.745 176.600 -0.035 0.000 0.941 1057 E CA -1.156 55.270 56.400 0.042 0.000 0.801 1057 E CB 1.543 31.259 29.700 0.026 0.000 1.313 1057 E HN 0.590 nan 8.360 nan 0.000 0.435 1058 I N -1.663 118.854 120.570 -0.089 0.000 2.823 1058 I HA 0.757 4.930 4.170 0.004 0.000 0.290 1058 I C 0.329 176.361 176.117 -0.142 0.000 1.091 1058 I CA -0.104 61.124 61.300 -0.120 0.000 1.365 1058 I CB 0.913 38.806 38.000 -0.179 0.000 1.427 1058 I HN 0.790 nan 8.210 nan 0.000 0.583 1059 G N 4.075 112.776 108.800 -0.165 0.000 2.393 1059 G HA2 0.444 4.407 3.960 0.004 0.000 0.264 1059 G HA3 0.444 4.407 3.960 0.004 0.000 0.264 1059 G C -1.885 172.881 174.900 -0.222 0.000 1.221 1059 G CA -0.798 44.152 45.100 -0.250 0.000 0.912 1059 G HN 0.483 nan 8.290 nan 0.000 0.483 1060 L N 0.181 121.261 121.223 -0.240 0.000 2.334 1060 L HA 0.798 5.141 4.340 0.004 0.000 0.276 1060 L C -0.524 176.302 176.870 -0.073 0.000 1.014 1060 L CA -0.893 53.830 54.840 -0.196 0.000 0.815 1060 L CB 1.435 43.211 42.059 -0.473 0.000 1.268 1060 L HN 0.606 nan 8.230 nan 0.000 0.428 1061 L N 3.995 125.226 121.223 0.014 0.000 2.313 1061 L HA 0.582 4.925 4.340 0.004 0.000 0.283 1061 L C -0.621 176.318 176.870 0.116 0.000 1.013 1061 L CA -0.205 54.652 54.840 0.028 0.000 0.816 1061 L CB 1.050 43.123 42.059 0.023 0.000 1.236 1061 L HN 0.275 nan 8.230 nan 0.000 0.419 1062 I N 4.557 125.179 120.570 0.086 0.000 2.471 1062 I HA 0.165 4.337 4.170 0.004 0.000 0.286 1062 I C 1.323 177.515 176.117 0.124 0.000 1.079 1062 I CA 0.249 61.623 61.300 0.123 0.000 1.398 1062 I CB 0.790 38.831 38.000 0.069 0.000 1.403 1062 I HN 0.852 nan 8.210 nan 0.000 0.530 1063 T N 1.427 116.068 114.554 0.145 0.000 2.971 1063 T HA 0.455 4.807 4.350 0.004 0.000 0.252 1063 T C 0.664 175.419 174.700 0.093 0.000 1.022 1063 T CA 0.224 62.395 62.100 0.118 0.000 0.980 1063 T CB 0.764 69.711 68.868 0.133 0.000 1.044 1063 T HN 0.789 nan 8.240 nan 0.000 0.501 1064 G N 0.851 109.706 108.800 0.092 0.000 2.451 1064 G HA2 0.506 4.468 3.960 0.004 0.000 0.292 1064 G HA3 0.506 4.468 3.960 0.004 0.000 0.292 1064 G C -2.209 172.730 174.900 0.066 0.000 1.427 1064 G CA -0.936 44.205 45.100 0.068 0.000 0.792 1064 G HN 0.195 nan 8.290 nan 0.000 0.498 1065 I N 1.719 122.318 120.570 0.049 0.000 2.436 1065 I HA 0.408 4.580 4.170 0.004 0.000 0.289 1065 I C 1.137 177.274 176.117 0.034 0.000 1.010 1065 I CA -0.711 60.615 61.300 0.043 0.000 1.098 1065 I CB 0.879 38.900 38.000 0.034 0.000 1.266 1065 I HN 0.774 nan 8.210 nan 0.000 0.434 1066 T N 0.382 114.956 114.554 0.033 0.000 2.726 1066 T HA 0.133 4.486 4.350 0.004 0.000 0.294 1066 T C 0.885 175.596 174.700 0.019 0.000 1.013 1066 T CA -0.322 61.793 62.100 0.024 0.000 0.996 1066 T CB 1.093 69.975 68.868 0.023 0.000 1.016 1066 T HN 0.490 nan 8.240 nan 0.000 0.529 1067 D N 0.610 121.019 120.400 0.014 0.000 2.182 1067 D HA -0.070 4.572 4.640 0.004 0.000 0.201 1067 D C 1.629 177.936 176.300 0.011 0.000 0.986 1067 D CA 1.248 55.255 54.000 0.012 0.000 0.847 1067 D CB -0.098 40.708 40.800 0.009 0.000 0.942 1067 D HN 0.701 nan 8.370 nan 0.000 0.467 1068 E N -0.663 119.544 120.200 0.013 0.000 2.489 1068 E HA 0.277 4.630 4.350 0.004 0.000 0.193 1068 E C 1.292 177.900 176.600 0.013 0.000 1.057 1068 E CA 0.401 56.808 56.400 0.012 0.000 0.866 1068 E CB 0.135 29.842 29.700 0.012 0.000 0.916 1068 E HN 0.224 nan 8.360 nan 0.000 0.500 1069 G N 0.951 109.761 108.800 0.016 0.000 2.137 1069 G HA2 -0.287 3.675 3.960 0.004 0.000 0.237 1069 G HA3 -0.287 3.675 3.960 0.004 0.000 0.237 1069 G C 0.045 174.958 174.900 0.022 0.000 1.002 1069 G CA 0.004 45.114 45.100 0.017 0.000 0.702 1069 G HN 0.112 nan 8.290 nan 0.000 0.515 1070 K N -0.190 120.228 120.400 0.030 0.000 2.098 1070 K HA 0.604 4.926 4.320 0.004 0.000 0.257 1070 K C 0.583 177.220 176.600 0.062 0.000 0.999 1070 K CA -0.552 55.761 56.287 0.044 0.000 0.924 1070 K CB 1.329 33.858 32.500 0.048 0.000 1.028 1070 K HN 0.225 nan 8.250 nan 0.000 0.466 1071 L N 2.998 124.275 121.223 0.091 0.000 2.264 1071 L HA 0.383 4.725 4.340 0.004 0.000 0.289 1071 L C 0.594 177.584 176.870 0.201 0.000 1.044 1071 L CA -0.629 54.286 54.840 0.124 0.000 0.807 1071 L CB 0.762 42.890 42.059 0.115 0.000 1.192 1071 L HN 0.330 nan 8.230 nan 0.000 0.425 1072 R N 3.098 123.689 120.500 0.152 0.000 2.531 1072 R HA 0.673 5.016 4.340 0.004 0.000 0.273 1072 R C -0.768 175.678 176.300 0.243 0.000 1.070 1072 R CA -0.286 55.887 56.100 0.122 0.000 1.112 1072 R CB 1.185 31.514 30.300 0.047 0.000 1.049 1072 R HN 0.511 nan 8.270 nan 0.000 0.508 1073 F N -1.872 118.178 119.950 0.167 0.000 2.715 1073 F HA 0.622 5.151 4.527 0.004 0.000 0.318 1073 F C -0.883 175.082 175.800 0.275 0.000 1.141 1073 F CA -1.409 56.688 58.000 0.162 0.000 0.950 1073 F CB 1.380 40.439 39.000 0.099 0.000 1.374 1073 F HN 0.217 nan 8.300 nan 0.000 0.477 1074 R N 1.403 122.137 120.500 0.390 0.000 2.807 1074 R HA 0.491 4.833 4.340 0.004 0.000 0.276 1074 R C -1.390 174.928 176.300 0.030 0.000 0.979 1074 R CA -0.910 55.231 56.100 0.069 0.000 0.928 1074 R CB 2.330 32.653 30.300 0.038 0.000 1.191 1074 R HN 0.897 nan 8.270 nan 0.000 0.471 1075 K N 1.388 121.593 120.400 -0.325 0.000 2.185 1075 K HA 0.340 4.662 4.320 0.004 0.000 0.271 1075 K C -0.817 175.686 176.600 -0.161 0.000 1.013 1075 K CA -0.549 55.620 56.287 -0.197 0.000 0.943 1075 K CB 1.727 34.050 32.500 -0.294 0.000 0.998 1075 K HN 0.188 nan 8.250 nan 0.000 0.468 1076 V N 2.255 122.104 119.914 -0.107 0.000 2.407 1076 V HA 0.524 4.647 4.120 0.004 0.000 0.291 1076 V C 0.270 176.326 176.094 -0.064 0.000 1.018 1076 V CA -0.231 62.020 62.300 -0.082 0.000 0.842 1076 V CB 0.717 32.492 31.823 -0.079 0.000 0.996 1076 V HN 1.087 nan 8.190 nan 0.000 0.426 1077 G N 3.997 112.776 108.800 -0.035 0.000 2.757 1077 G HA2 0.168 4.131 3.960 0.004 0.000 0.638 1077 G HA3 0.168 4.131 3.960 0.004 0.000 0.638 1077 G C 0.104 175.031 174.900 0.046 0.000 1.344 1077 G CA -0.445 44.663 45.100 0.013 0.000 0.855 1077 G HN 1.405 nan 8.290 nan 0.000 0.537 1078 G N -0.495 108.398 108.800 0.153 0.000 2.327 1078 G HA2 0.657 4.619 3.960 0.004 0.000 0.302 1078 G HA3 0.657 4.619 3.960 0.004 0.000 0.302 1078 G C -0.056 174.998 174.900 0.257 0.000 1.113 1078 G CA -0.340 44.859 45.100 0.166 0.000 0.921 1078 G HN 0.962 nan 8.290 nan 0.000 0.425 1079 I N 1.871 122.535 120.570 0.156 0.000 2.533 1079 I HA 0.198 4.371 4.170 0.004 0.000 0.290 1079 I C -0.891 175.323 176.117 0.161 0.000 1.056 1079 I CA -1.092 60.319 61.300 0.186 0.000 1.057 1079 I CB 2.453 40.552 38.000 0.166 0.000 1.240 1079 I HN 0.307 nan 8.210 nan 0.000 0.423 1080 D N 4.810 125.310 120.400 0.165 0.000 2.417 1080 D HA -0.016 4.626 4.640 0.004 0.000 0.250 1080 D C 0.725 177.119 176.300 0.156 0.000 1.166 1080 D CA 0.341 54.424 54.000 0.137 0.000 0.881 1080 D CB 1.172 42.040 40.800 0.113 0.000 1.164 1080 D HN 0.438 nan 8.370 nan 0.000 0.467 1081 D N 3.307 123.802 120.400 0.159 0.000 2.182 1081 D HA -0.145 4.497 4.640 0.004 0.000 0.201 1081 D C 1.716 178.104 176.300 0.146 0.000 0.986 1081 D CA 0.823 54.932 54.000 0.183 0.000 0.847 1081 D CB 0.091 40.989 40.800 0.163 0.000 0.942 1081 D HN 0.495 nan 8.370 nan 0.000 0.467 1082 R N -0.223 120.336 120.500 0.098 0.000 2.303 1082 R HA -0.018 4.325 4.340 0.004 0.000 0.225 1082 R C 1.535 177.894 176.300 0.098 0.000 1.114 1082 R CA 0.433 56.577 56.100 0.073 0.000 1.007 1082 R CB -0.060 30.266 30.300 0.043 0.000 0.861 1082 R HN 0.265 nan 8.270 nan 0.000 0.471 1083 L N 0.123 121.412 121.223 0.110 0.000 2.607 1083 L HA 0.112 4.454 4.340 0.004 0.000 0.228 1083 L C 1.309 178.210 176.870 0.053 0.000 1.123 1083 L CA 0.056 54.919 54.840 0.039 0.000 0.890 1083 L CB 0.272 42.339 42.059 0.013 0.000 1.103 1083 L HN 0.145 nan 8.230 nan 0.000 0.468 1084 L N -1.723 119.629 121.223 0.214 0.000 2.590 1084 L HA 0.108 4.450 4.340 0.004 0.000 0.227 1084 L C 0.368 177.403 176.870 0.276 0.000 1.099 1084 L CA -0.105 54.927 54.840 0.319 0.000 0.872 1084 L CB 0.091 42.384 42.059 0.390 0.000 1.088 1084 L HN 0.097 nan 8.230 nan 0.000 0.479 1085 Y N 1.446 121.800 120.300 0.090 0.000 2.316 1085 Y HA 0.469 5.021 4.550 0.004 0.000 0.331 1085 Y C 1.085 177.005 175.900 0.032 0.000 1.083 1085 Y CA -0.380 57.759 58.100 0.066 0.000 1.206 1085 Y CB 1.092 39.580 38.460 0.048 0.000 1.195 1085 Y HN 0.152 nan 8.280 nan 0.000 0.497 1086 G N 5.780 114.318 108.800 -0.437 0.000 2.359 1086 G HA2 -0.211 3.751 3.960 0.004 0.000 0.298 1086 G HA3 -0.211 3.751 3.960 0.004 0.000 0.298 1086 G C -0.390 174.423 174.900 -0.144 0.000 1.030 1086 G CA -0.087 44.806 45.100 -0.344 0.000 1.149 1086 G HN 0.551 nan 8.290 nan 0.000 0.512 1087 R N -0.294 120.148 120.500 -0.096 0.000 2.744 1087 R HA 0.407 4.749 4.340 0.004 0.000 0.279 1087 R C -0.271 176.007 176.300 -0.036 0.000 0.977 1087 R CA -0.897 55.190 56.100 -0.022 0.000 0.906 1087 R CB 1.234 31.559 30.300 0.042 0.000 1.197 1087 R HN 0.468 nan 8.270 nan 0.000 0.463 1088 H N 1.279 120.356 119.070 0.011 0.000 2.610 1088 H HA 0.317 4.876 4.556 0.004 0.000 0.336 1088 H C 0.207 175.567 175.328 0.053 0.000 1.087 1088 H CA -0.117 55.936 56.048 0.009 0.000 1.405 1088 H CB 1.585 31.333 29.762 -0.023 0.000 1.460 1088 H HN 0.338 nan 8.280 nan 0.000 0.538 1089 V N 1.009 120.989 119.914 0.111 0.000 3.040 1089 V HA 0.410 4.533 4.120 0.004 0.000 0.312 1089 V C -0.260 175.826 176.094 -0.013 0.000 1.115 1089 V CA -1.239 61.084 62.300 0.039 0.000 0.998 1089 V CB 2.413 34.198 31.823 -0.063 0.000 1.042 1089 V HN 0.612 nan 8.190 nan 0.000 0.433 1090 N N 1.633 120.297 118.700 -0.060 0.000 2.426 1090 N HA 0.508 5.250 4.740 0.004 0.000 0.257 1090 N C -0.690 174.705 175.510 -0.190 0.000 1.002 1090 N CA -0.199 52.789 53.050 -0.103 0.000 0.942 1090 N CB 1.785 40.216 38.487 -0.093 0.000 1.112 1090 N HN 0.682 nan 8.380 nan 0.000 0.499 1091 V N 2.973 122.772 119.914 -0.191 0.000 2.368 1091 V HA 0.194 4.317 4.120 0.004 0.000 0.266 1091 V C 0.401 176.293 176.094 -0.337 0.000 1.045 1091 V CA -0.716 61.427 62.300 -0.262 0.000 0.899 1091 V CB 1.123 32.843 31.823 -0.172 0.000 1.006 1091 V HN 0.262 nan 8.190 nan 0.000 0.470 1092 V N 5.757 125.306 119.914 -0.608 0.000 2.385 1092 V HA 0.463 4.585 4.120 0.004 0.000 0.269 1092 V C 0.699 176.511 176.094 -0.471 0.000 1.043 1092 V CA 0.038 61.945 62.300 -0.655 0.000 0.906 1092 V CB 1.255 32.364 31.823 -1.190 0.000 0.995 1092 V HN 1.057 nan 8.190 nan 0.000 0.467 1093 T N 0.591 115.009 114.554 -0.226 0.000 2.804 1093 T HA 0.404 4.757 4.350 0.004 0.000 0.272 1093 T C 0.818 175.498 174.700 -0.033 0.000 0.986 1093 T CA -0.460 61.579 62.100 -0.102 0.000 0.999 1093 T CB 1.767 70.593 68.868 -0.071 0.000 1.307 1093 T HN 0.503 nan 8.240 nan 0.000 0.586 1094 E N -0.221 119.983 120.200 0.007 0.000 2.208 1094 E HA -0.008 4.345 4.350 0.004 0.000 0.193 1094 E C 1.752 178.358 176.600 0.009 0.000 0.988 1094 E CA 0.703 57.120 56.400 0.028 0.000 0.828 1094 E CB 0.074 29.796 29.700 0.037 0.000 0.763 1094 E HN 0.564 nan 8.360 nan 0.000 0.478 1095 K N -1.026 119.370 120.400 -0.007 0.000 2.284 1095 K HA 0.196 4.519 4.320 0.004 0.000 0.198 1095 K C 0.811 177.399 176.600 -0.021 0.000 1.048 1095 K CA 0.551 56.832 56.287 -0.011 0.000 0.987 1095 K CB 1.247 33.740 32.500 -0.012 0.000 0.800 1095 K HN 0.082 nan 8.250 nan 0.000 0.486 1096 G N 0.736 109.515 108.800 -0.036 0.000 2.336 1096 G HA2 0.265 4.227 3.960 0.004 0.000 0.286 1096 G HA3 0.265 4.227 3.960 0.004 0.000 0.286 1096 G C -1.791 173.061 174.900 -0.079 0.000 1.269 1096 G CA -1.010 44.061 45.100 -0.048 0.000 0.873 1096 G HN -0.024 nan 8.290 nan 0.000 0.494 1097 I N 0.612 121.134 120.570 -0.079 0.000 2.377 1097 I HA 0.506 4.679 4.170 0.004 0.000 0.293 1097 I C -0.888 175.181 176.117 -0.081 0.000 0.987 1097 I CA -0.762 60.476 61.300 -0.104 0.000 1.185 1097 I CB 1.671 39.613 38.000 -0.097 0.000 1.341 1097 I HN 0.158 nan 8.210 nan 0.000 0.455 1098 L N 5.441 126.610 121.223 -0.091 0.000 2.346 1098 L HA 0.380 4.722 4.340 0.004 0.000 0.274 1098 L C -0.573 176.262 176.870 -0.059 0.000 1.007 1098 L CA -0.638 54.164 54.840 -0.064 0.000 0.818 1098 L CB 1.587 43.609 42.059 -0.062 0.000 1.284 1098 L HN 0.545 nan 8.230 nan 0.000 0.424 1099 D N 0.623 121.004 120.400 -0.032 0.000 2.313 1099 D HA 0.593 5.235 4.640 0.004 0.000 0.247 1099 D C 0.185 176.476 176.300 -0.015 0.000 1.094 1099 D CA -0.429 53.564 54.000 -0.012 0.000 0.925 1099 D CB 1.311 42.127 40.800 0.028 0.000 1.188 1099 D HN 0.655 nan 8.370 nan 0.000 0.430 1100 G N -1.036 107.756 108.800 -0.012 0.000 2.694 1100 G HA2 0.582 4.545 3.960 0.004 0.000 0.290 1100 G HA3 0.582 4.545 3.960 0.004 0.000 0.290 1100 G C -1.647 173.224 174.900 -0.049 0.000 1.386 1100 G CA -0.869 44.211 45.100 -0.033 0.000 0.872 1100 G HN 0.509 nan 8.290 nan 0.000 0.475 1101 V N 0.601 120.471 119.914 -0.074 0.000 2.733 1101 V HA 0.399 4.522 4.120 0.004 0.000 0.306 1101 V C -0.667 175.382 176.094 -0.074 0.000 1.084 1101 V CA -0.557 61.662 62.300 -0.135 0.000 0.905 1101 V CB 1.854 33.549 31.823 -0.213 0.000 1.010 1101 V HN 0.660 nan 8.190 nan 0.000 0.424 1102 I N 4.691 125.226 120.570 -0.059 0.000 2.312 1102 I HA 0.465 4.638 4.170 0.004 0.000 0.291 1102 I C 1.169 177.228 176.117 -0.097 0.000 1.031 1102 I CA 0.131 61.428 61.300 -0.005 0.000 1.293 1102 I CB 1.300 39.348 38.000 0.080 0.000 1.403 1102 I HN 0.717 nan 8.210 nan 0.000 0.484 1103 G N 4.563 113.306 108.800 -0.095 0.000 2.588 1103 G HA2 0.676 4.638 3.960 0.004 0.000 0.278 1103 G HA3 0.676 4.638 3.960 0.004 0.000 0.278 1103 G C -0.775 173.905 174.900 -0.368 0.000 1.307 1103 G CA -0.306 44.690 45.100 -0.173 0.000 1.016 1103 G HN 0.767 nan 8.290 nan 0.000 0.503 1104 A N -1.099 121.510 122.820 -0.351 0.000 2.488 1104 A HA 0.667 4.989 4.320 0.004 0.000 0.298 1104 A C -0.191 177.338 177.584 -0.093 0.000 1.044 1104 A CA -0.512 51.228 52.037 -0.494 0.000 0.693 1104 A CB 1.338 19.956 19.000 -0.637 0.000 1.272 1104 A HN 0.658 nan 8.150 nan 0.000 0.402 1105 T N 4.921 119.533 114.554 0.097 0.000 2.779 1105 T HA 0.497 4.849 4.350 0.004 0.000 0.296 1105 T C -1.983 172.784 174.700 0.112 0.000 0.938 1105 T CA -0.242 61.920 62.100 0.104 0.000 1.119 1105 T CB 0.229 69.177 68.868 0.133 0.000 0.891 1105 T HN 0.579 nan 8.240 nan 0.000 0.526 1106 P HA 0.293 nan 4.420 nan 0.000 0.274 1106 P C -2.149 175.264 177.300 0.190 0.000 1.237 1106 P CA -1.820 61.380 63.100 0.165 0.000 0.793 1106 P CB 0.192 31.989 31.700 0.163 0.000 0.977 1107 P HA -0.148 nan 4.420 nan 0.000 0.220 1107 P C 0.918 178.242 177.300 0.041 0.000 1.148 1107 P CA 1.492 64.626 63.100 0.056 0.000 0.803 1107 P CB -0.290 31.381 31.700 -0.047 0.000 0.782 1108 H N -1.523 117.556 119.070 0.015 0.000 2.457 1108 H HA -0.008 4.550 4.556 0.004 0.000 0.297 1108 H C 1.159 176.494 175.328 0.011 0.000 1.092 1108 H CA 0.675 56.730 56.048 0.011 0.000 1.309 1108 H CB -0.869 28.898 29.762 0.008 0.000 1.382 1108 H HN 0.155 nan 8.280 nan 0.000 0.535 1117 V N 6.159 126.006 119.914 -0.113 0.000 2.521 1117 V HA 0.296 4.418 4.120 0.004 0.000 0.286 1117 V C 0.721 176.718 176.094 -0.161 0.000 1.034 1117 V CA -0.024 62.192 62.300 -0.140 0.000 1.045 1117 V CB 0.524 32.303 31.823 -0.072 0.000 0.974 1117 V HN 0.774 nan 8.190 nan 0.000 0.480 1118 I N 8.368 128.802 120.570 -0.228 0.000 2.416 1118 I HA 0.249 4.421 4.170 0.004 0.000 0.288 1118 I C -1.767 174.244 176.117 -0.176 0.000 1.051 1118 I CA -1.540 59.641 61.300 -0.198 0.000 1.375 1118 I CB 1.384 39.265 38.000 -0.199 0.000 1.407 1118 I HN 0.466 nan 8.210 nan 0.000 0.516 1119 P HA -0.002 nan 4.420 nan 0.000 0.277 1119 P C 0.776 177.761 177.300 -0.525 0.000 1.240 1119 P CA -0.398 62.402 63.100 -0.500 0.000 0.798 1119 P CB 0.531 31.604 31.700 -1.045 0.000 0.979 1120 W N 3.488 124.601 121.300 -0.312 0.000 2.308 1120 W HA -0.265 4.397 4.660 0.002 0.000 0.301 1120 W C 1.373 177.698 176.519 -0.324 0.000 1.220 1120 W CA 1.371 58.621 57.345 -0.157 0.000 1.240 1120 W CB -2.184 27.292 29.460 0.027 0.000 1.142 1120 W HN 0.419 nan 8.180 nan 0.000 0.521 1121 Y N 0.413 120.057 120.300 -1.092 0.000 2.616 1121 Y HA 0.093 4.646 4.550 0.005 0.000 0.296 1121 Y C 1.220 176.823 175.900 -0.494 0.000 1.154 1121 Y CA 1.069 58.550 58.100 -1.032 0.000 1.325 1121 Y CB -1.132 36.484 38.460 -1.408 0.000 1.007 1121 Y HN -0.158 nan 8.280 nan 0.000 0.542 1122 D N 0.666 120.823 120.400 -0.405 0.000 2.349 1122 D HA 0.212 4.854 4.640 0.004 0.000 0.214 1122 D C 0.058 176.303 176.300 -0.091 0.000 1.063 1122 D CA 0.238 54.133 54.000 -0.175 0.000 0.847 1122 D CB 0.330 41.025 40.800 -0.175 0.000 0.933 1122 D HN 0.329 nan 8.370 nan 0.000 0.513 1123 L N 0.602 121.765 121.223 -0.101 0.000 2.344 1123 L HA 0.536 4.878 4.340 0.004 0.000 0.272 1123 L C 0.100 177.010 176.870 0.066 0.000 1.035 1123 L CA -0.994 53.887 54.840 0.068 0.000 0.807 1123 L CB 1.985 44.209 42.059 0.276 0.000 1.237 1123 L HN -0.233 nan 8.230 nan 0.000 0.442 1124 V N -0.647 119.395 119.914 0.212 0.000 3.130 1124 V HA 0.584 4.706 4.120 0.004 0.000 0.310 1124 V C -0.570 175.695 176.094 0.285 0.000 1.158 1124 V CA -0.844 61.606 62.300 0.250 0.000 1.029 1124 V CB 2.234 34.127 31.823 0.117 0.000 1.057 1124 V HN 0.542 nan 8.190 nan 0.000 0.436 1125 I N 2.061 122.780 120.570 0.248 0.000 2.336 1125 I HA 0.403 4.575 4.170 0.004 0.000 0.292 1125 I C -0.635 175.518 176.117 0.060 0.000 0.991 1125 I CA -0.069 61.300 61.300 0.114 0.000 1.227 1125 I CB 1.351 39.384 38.000 0.055 0.000 1.366 1125 I HN 0.705 nan 8.210 nan 0.000 0.466 1126 D N 7.321 127.734 120.400 0.022 0.000 2.313 1126 D HA 0.253 4.896 4.640 0.004 0.000 0.239 1126 D C 0.564 176.857 176.300 -0.011 0.000 1.142 1126 D CA -0.255 53.747 54.000 0.003 0.000 0.847 1126 D CB 1.049 41.840 40.800 -0.014 0.000 1.082 1126 D HN 0.539 nan 8.370 nan 0.000 0.480 1127 I N 0.466 121.033 120.570 -0.006 0.000 4.025 1127 I HA 0.441 4.614 4.170 0.004 0.000 0.336 1127 I C 1.099 177.210 176.117 -0.010 0.000 1.390 1127 I CA -0.378 60.914 61.300 -0.013 0.000 1.099 1127 I CB 0.357 38.348 38.000 -0.014 0.000 1.049 1127 I HN 0.474 nan 8.210 nan 0.000 0.394 1128 G N 1.768 110.563 108.800 -0.008 0.000 2.132 1128 G HA2 -0.166 3.797 3.960 0.004 0.000 0.234 1128 G HA3 -0.166 3.797 3.960 0.004 0.000 0.234 1128 G C 0.294 175.192 174.900 -0.004 0.000 0.989 1128 G CA -0.030 45.066 45.100 -0.007 0.000 0.676 1128 G HN 0.894 nan 8.290 nan 0.000 0.522 1129 A N -0.334 122.485 122.820 -0.002 0.000 2.302 1129 A HA 0.747 5.069 4.320 0.004 0.000 0.285 1129 A C 1.165 178.750 177.584 0.002 0.000 1.105 1129 A CA 0.233 52.270 52.037 0.000 0.000 0.816 1129 A CB 0.517 19.518 19.000 0.003 0.000 1.067 1129 A HN 0.190 nan 8.150 nan 0.000 0.489 1130 E N 0.204 120.405 120.200 0.002 0.000 2.340 1130 E HA 0.064 4.417 4.350 0.004 0.000 0.194 1130 E C 0.355 176.957 176.600 0.004 0.000 0.996 1130 E CA 1.113 57.514 56.400 0.002 0.000 0.869 1130 E CB 0.167 29.868 29.700 0.001 0.000 0.835 1130 E HN 0.718 nan 8.360 nan 0.000 0.493 1131 S N -0.815 114.888 115.700 0.005 0.000 2.596 1131 S HA 0.320 4.792 4.470 0.004 0.000 0.270 1131 S C 0.518 175.123 174.600 0.009 0.000 1.155 1131 S CA -0.835 57.369 58.200 0.007 0.000 0.827 1131 S CB 2.571 65.774 63.200 0.006 0.000 1.130 1131 S HN -0.059 nan 8.310 nan 0.000 0.467 1132 K N 0.674 121.080 120.400 0.010 0.000 2.103 1132 K HA -0.183 4.140 4.320 0.004 0.000 0.207 1132 K C 1.747 178.354 176.600 0.011 0.000 1.048 1132 K CA 1.930 58.225 56.287 0.013 0.000 0.930 1132 K CB -0.302 32.206 32.500 0.013 0.000 0.716 1132 K HN 0.768 nan 8.250 nan 0.000 0.444 1133 E N 0.584 120.789 120.200 0.009 0.000 2.072 1133 E HA -0.237 4.115 4.350 0.004 0.000 0.191 1133 E C 1.933 178.537 176.600 0.007 0.000 0.985 1133 E CA 1.243 57.648 56.400 0.008 0.000 0.801 1133 E CB 0.028 29.732 29.700 0.007 0.000 0.750 1133 E HN 0.447 nan 8.360 nan 0.000 0.452 1134 E N -0.186 120.017 120.200 0.005 0.000 2.072 1134 E HA -0.156 4.196 4.350 0.004 0.000 0.190 1134 E C 1.943 178.545 176.600 0.004 0.000 0.982 1134 E CA 0.851 57.253 56.400 0.004 0.000 0.803 1134 E CB -0.097 29.604 29.700 0.002 0.000 0.755 1134 E HN 0.319 nan 8.360 nan 0.000 0.453 1135 A N 1.182 124.005 122.820 0.006 0.000 1.877 1135 A HA -0.161 4.161 4.320 0.004 0.000 0.216 1135 A C 2.183 179.771 177.584 0.008 0.000 1.186 1135 A CA 1.043 53.084 52.037 0.007 0.000 0.620 1135 A CB -0.747 18.261 19.000 0.012 0.000 0.822 1135 A HN 0.338 nan 8.150 nan 0.000 0.443 1136 L N -0.498 120.732 121.223 0.011 0.000 2.261 1136 L HA -0.194 4.148 4.340 0.004 0.000 0.216 1136 L C 2.558 179.433 176.870 0.009 0.000 1.114 1136 L CA 1.643 56.490 54.840 0.012 0.000 0.777 1136 L CB -0.263 41.804 42.059 0.014 0.000 0.910 1136 L HN 0.670 nan 8.230 nan 0.000 0.440 1137 E N 0.085 120.288 120.200 0.006 0.000 2.358 1137 E HA -0.140 4.212 4.350 0.004 0.000 0.195 1137 E C 1.975 178.575 176.600 -0.000 0.000 1.010 1137 E CA 0.534 56.936 56.400 0.003 0.000 0.856 1137 E CB 0.264 29.965 29.700 0.002 0.000 0.795 1137 E HN 0.551 nan 8.360 nan 0.000 0.504 1138 L N -0.054 121.167 121.223 -0.003 0.000 2.467 1138 L HA 0.233 4.575 4.340 0.004 0.000 0.213 1138 L C 0.194 177.056 176.870 -0.014 0.000 1.053 1138 L CA -0.035 54.799 54.840 -0.010 0.000 0.847 1138 L CB 1.137 43.189 42.059 -0.013 0.000 1.075 1138 L HN -0.101 nan 8.230 nan 0.000 0.479 1139 V N -0.443 119.467 119.914 -0.008 0.000 2.925 1139 V HA 0.474 4.596 4.120 0.004 0.000 0.311 1139 V C -0.955 175.144 176.094 0.009 0.000 1.104 1139 V CA -0.850 61.444 62.300 -0.009 0.000 0.954 1139 V CB 2.373 34.188 31.823 -0.013 0.000 1.022 1139 V HN -0.065 nan 8.190 nan 0.000 0.427 1140 K N 2.866 123.276 120.400 0.016 0.000 2.328 1140 K HA 0.709 5.032 4.320 0.004 0.000 0.246 1140 K C -2.919 173.709 176.600 0.046 0.000 0.955 1140 K CA -2.462 53.845 56.287 0.033 0.000 0.817 1140 K CB 1.994 34.518 32.500 0.040 0.000 1.208 1140 K HN 0.302 nan 8.250 nan 0.000 0.432 1141 P HA 0.047 nan 4.420 nan 0.000 0.265 1141 P C -0.207 177.148 177.300 0.092 0.000 1.187 1141 P CA 0.472 63.615 63.100 0.072 0.000 0.766 1141 P CB 0.327 32.068 31.700 0.068 0.000 0.820 1142 L N -1.679 119.610 121.223 0.110 0.000 4.892 1142 L HA -0.215 4.127 4.340 0.004 0.000 0.403 1142 L C 0.401 177.386 176.870 0.192 0.000 0.913 1142 L CA 0.524 55.466 54.840 0.170 0.000 1.653 1142 L CB -1.447 40.727 42.059 0.192 0.000 1.780 1142 L HN 0.408 nan 8.230 nan 0.000 0.597 1143 D N 0.185 120.646 120.400 0.101 0.000 2.414 1143 D HA 0.621 5.263 4.640 0.004 0.000 0.251 1143 D C 0.039 176.319 176.300 -0.033 0.000 1.252 1143 D CA 0.497 54.519 54.000 0.037 0.000 0.999 1143 D CB 0.645 41.425 40.800 -0.033 0.000 1.093 1143 D HN 0.155 nan 8.370 nan 0.000 0.515 1144 F N -1.878 117.908 119.950 -0.273 0.000 2.726 1144 F HA 0.806 5.335 4.527 0.003 0.000 0.324 1144 F C -1.489 174.164 175.800 -0.245 0.000 1.140 1144 F CA -1.189 56.609 58.000 -0.336 0.000 0.964 1144 F CB 1.177 39.819 39.000 -0.595 0.000 1.399 1144 F HN 0.325 nan 8.300 nan 0.000 0.491 1145 A N 0.830 123.578 122.820 -0.121 0.000 2.572 1145 A HA 0.825 5.147 4.320 0.004 0.000 0.295 1145 A C -1.324 176.165 177.584 -0.159 0.000 1.072 1145 A CA -0.232 51.658 52.037 -0.244 0.000 0.691 1145 A CB 1.464 20.299 19.000 -0.274 0.000 1.291 1145 A HN 1.968 nan 8.150 nan 0.000 0.404 1146 V N -1.509 118.290 119.914 -0.191 0.000 3.141 1146 V HA 0.847 4.969 4.120 0.004 0.000 0.312 1146 V C -0.386 175.554 176.094 -0.257 0.000 1.157 1146 V CA -1.260 60.880 62.300 -0.266 0.000 1.041 1146 V CB 1.259 33.040 31.823 -0.071 0.000 1.071 1146 V HN 0.776 nan 8.190 nan 0.000 0.441 1147 F N 0.790 120.717 119.950 -0.038 0.000 2.496 1147 F HA 0.390 4.920 4.527 0.005 0.000 0.344 1147 F C 1.212 176.985 175.800 -0.045 0.000 1.155 1147 F CA -0.315 57.660 58.000 -0.042 0.000 1.302 1147 F CB 0.517 39.499 39.000 -0.030 0.000 1.159 1147 F HN 0.417 nan 8.300 nan 0.000 0.595 1148 K N 2.001 122.493 120.400 0.154 0.000 2.355 1148 K HA 0.165 4.487 4.320 0.004 0.000 0.270 1148 K C -0.748 175.827 176.600 -0.041 0.000 1.003 1148 K CA -0.182 56.113 56.287 0.013 0.000 0.957 1148 K CB 0.599 33.062 32.500 -0.062 0.000 0.939 1148 K HN 0.503 nan 8.250 nan 0.000 0.482 1149 K N 2.723 123.091 120.400 -0.054 0.000 2.425 1149 K HA 0.205 4.527 4.320 0.004 0.000 0.259 1149 K C -0.813 175.774 176.600 -0.021 0.000 0.978 1149 K CA -0.399 55.880 56.287 -0.012 0.000 0.883 1149 K CB 1.044 33.602 32.500 0.096 0.000 1.110 1149 K HN 0.506 nan 8.250 nan 0.000 0.436 1150 H N 0.923 120.040 119.070 0.077 0.000 2.757 1150 H HA 0.157 4.716 4.556 0.004 0.000 0.370 1150 H C -0.978 174.445 175.328 0.158 0.000 1.172 1150 H CA 0.059 56.158 56.048 0.086 0.000 1.426 1150 H CB 0.583 30.365 29.762 0.034 0.000 1.438 1150 H HN 0.422 nan 8.280 nan 0.000 0.612 1151 F N 0.972 121.016 119.950 0.158 0.000 2.536 1151 F HA 0.377 4.906 4.527 0.004 0.000 0.322 1151 F C -1.000 174.845 175.800 0.076 0.000 1.144 1151 F CA -0.327 57.732 58.000 0.099 0.000 0.924 1151 F CB 1.384 40.427 39.000 0.073 0.000 1.181 1151 F HN 0.374 nan 8.300 nan 0.000 0.438 1152 S N 3.803 119.361 115.700 -0.235 0.000 2.542 1152 S HA 0.758 5.230 4.470 0.004 0.000 0.293 1152 S C -1.319 173.182 174.600 -0.165 0.000 1.089 1152 S CA -0.741 57.402 58.200 -0.095 0.000 0.961 1152 S CB 2.189 65.350 63.200 -0.065 0.000 1.062 1152 S HN 0.380 nan 8.310 nan 0.000 0.483 1153 V N 3.556 123.464 119.914 -0.011 0.000 2.378 1153 V HA 0.387 4.509 4.120 0.004 0.000 0.288 1153 V C -0.705 175.405 176.094 0.027 0.000 1.016 1153 V CA -0.573 61.734 62.300 0.012 0.000 0.840 1153 V CB 1.087 32.958 31.823 0.080 0.000 0.994 1153 V HN 0.702 nan 8.190 nan 0.000 0.431 1154 L N 4.990 126.246 121.223 0.055 0.000 2.261 1154 L HA 0.437 4.780 4.340 0.004 0.000 0.289 1154 L C 1.074 178.019 176.870 0.124 0.000 1.059 1154 L CA -0.346 54.548 54.840 0.089 0.000 0.816 1154 L CB 0.149 42.268 42.059 0.099 0.000 1.191 1154 L HN 0.803 nan 8.230 nan 0.000 0.431 1155 N N 3.017 121.760 118.700 0.071 0.000 2.696 1155 N HA -0.243 4.499 4.740 0.004 0.000 0.249 1155 N C 0.951 176.471 175.510 0.017 0.000 1.090 1155 N CA 1.300 54.383 53.050 0.056 0.000 0.716 1155 N CB -0.649 37.891 38.487 0.088 0.000 1.020 1155 N HN 1.060 nan 8.380 nan 0.000 0.548 1156 G N -1.169 107.630 108.800 -0.000 0.000 2.253 1156 G HA2 -0.375 3.588 3.960 0.004 0.000 0.251 1156 G HA3 -0.375 3.588 3.960 0.004 0.000 0.251 1156 G C 0.783 175.613 174.900 -0.116 0.000 0.998 1156 G CA 0.959 46.037 45.100 -0.037 0.000 0.621 1156 G HN 0.738 nan 8.290 nan 0.000 0.524 1157 K N -1.087 119.179 120.400 -0.224 0.000 2.450 1157 K HA 0.417 4.740 4.320 0.004 0.000 0.206 1157 K C 0.049 176.197 176.600 -0.753 0.000 1.148 1157 K CA -0.210 55.753 56.287 -0.539 0.000 1.014 1157 K CB 0.798 32.834 32.500 -0.774 0.000 0.966 1157 K HN 0.328 nan 8.250 nan 0.000 0.566 1158 Y N 1.123 121.273 120.300 -0.250 0.000 2.409 1158 Y HA 0.456 5.008 4.550 0.004 0.000 0.339 1158 Y C -0.139 175.680 175.900 -0.137 0.000 1.033 1158 Y CA -1.254 56.730 58.100 -0.192 0.000 1.094 1158 Y CB 2.065 40.450 38.460 -0.126 0.000 1.210 1158 Y HN -0.332 nan 8.280 nan 0.000 0.456 1159 V N 1.986 121.911 119.914 0.017 0.000 2.555 1159 V HA 0.568 4.691 4.120 0.004 0.000 0.302 1159 V C -0.680 175.315 176.094 -0.164 0.000 1.038 1159 V CA -0.629 61.591 62.300 -0.134 0.000 0.887 1159 V CB 1.951 33.707 31.823 -0.113 0.000 0.991 1159 V HN 0.756 nan 8.190 nan 0.000 0.434 1160 S N 3.277 118.788 115.700 -0.316 0.000 2.707 1160 S HA 0.775 5.248 4.470 0.004 0.000 0.303 1160 S C -0.745 173.697 174.600 -0.262 0.000 1.132 1160 S CA -0.205 57.886 58.200 -0.181 0.000 1.046 1160 S CB 1.316 64.474 63.200 -0.069 0.000 1.004 1160 S HN 1.036 nan 8.310 nan 0.000 0.483 1161 T N 2.647 117.132 114.554 -0.114 0.000 2.827 1161 T HA 0.434 4.787 4.350 0.004 0.000 0.328 1161 T C -1.379 173.374 174.700 0.089 0.000 1.598 1161 T CA -0.739 61.356 62.100 -0.007 0.000 1.043 1161 T CB 1.250 70.152 68.868 0.056 0.000 1.447 1161 T HN 0.726 nan 8.240 nan 0.000 0.491 1162 R N 1.491 122.064 120.500 0.122 0.000 2.489 1162 R HA 0.528 4.870 4.340 0.004 0.000 0.287 1162 R C 1.357 177.748 176.300 0.152 0.000 1.053 1162 R CA 1.772 57.958 56.100 0.144 0.000 1.036 1162 R CB -0.285 30.120 30.300 0.174 0.000 0.966 1162 R HN 1.334 nan 8.270 nan 0.000 0.432 1163 G N 3.395 112.281 108.800 0.143 0.000 2.201 1163 G HA2 -0.254 3.708 3.960 0.004 0.000 0.212 1163 G HA3 -0.254 3.708 3.960 0.004 0.000 0.212 1163 G C 0.750 175.743 174.900 0.155 0.000 0.994 1163 G CA 0.144 45.323 45.100 0.132 0.000 0.644 1163 G HN 0.542 nan 8.290 nan 0.000 0.508 1164 L N 0.618 121.957 121.223 0.194 0.000 2.103 1164 L HA -0.069 4.273 4.340 0.004 0.000 0.215 1164 L C 1.423 178.482 176.870 0.315 0.000 1.080 1164 L CA 1.991 56.989 54.840 0.264 0.000 0.764 1164 L CB -0.285 41.917 42.059 0.238 0.000 0.890 1164 L HN 0.446 nan 8.230 nan 0.000 0.435 1165 D N -0.186 120.364 120.400 0.250 0.000 2.380 1165 D HA 0.063 4.705 4.640 0.004 0.000 0.230 1165 D C -0.238 176.098 176.300 0.060 0.000 1.154 1165 D CA -0.169 53.956 54.000 0.208 0.000 0.859 1165 D CB 0.731 41.718 40.800 0.311 0.000 1.045 1165 D HN -0.024 nan 8.370 nan 0.000 0.495 1166 D N 2.887 123.147 120.400 -0.233 0.000 2.788 1166 D HA 0.114 4.756 4.640 0.004 0.000 0.289 1166 D C 0.806 176.849 176.300 -0.427 0.000 1.340 1166 D CA -0.292 53.442 54.000 -0.444 0.000 0.831 1166 D CB 0.212 40.459 40.800 -0.921 0.000 1.103 1166 D HN 0.216 nan 8.370 nan 0.000 0.476 1167 R N 0.033 120.438 120.500 -0.158 0.000 2.148 1167 R HA -0.068 4.274 4.340 0.004 0.000 0.227 1167 R C 1.867 178.122 176.300 -0.076 0.000 1.103 1167 R CA 0.582 56.634 56.100 -0.080 0.000 0.983 1167 R CB -0.922 29.432 30.300 0.089 0.000 0.874 1167 R HN 0.449 nan 8.270 nan 0.000 0.451 1168 F N 0.236 120.188 119.950 0.003 0.000 2.134 1168 F HA 0.028 4.557 4.527 0.004 0.000 0.299 1168 F C 2.031 177.810 175.800 -0.035 0.000 1.097 1168 F CA 1.101 59.102 58.000 0.002 0.000 1.264 1168 F CB -1.243 37.776 39.000 0.031 0.000 1.001 1168 F HN -0.053 nan 8.300 nan 0.000 0.479 1169 G N 1.037 109.115 108.800 -1.204 0.000 2.440 1169 G HA2 -0.197 3.766 3.960 0.004 0.000 0.218 1169 G HA3 -0.197 3.766 3.960 0.004 0.000 0.218 1169 G C 1.705 176.412 174.900 -0.322 0.000 1.154 1169 G CA 1.488 46.078 45.100 -0.849 0.000 0.767 1169 G HN 0.395 nan 8.290 nan 0.000 0.552 1170 V N 0.350 120.106 119.914 -0.263 0.000 2.307 1170 V HA -0.158 3.964 4.120 0.004 0.000 0.245 1170 V C 3.018 178.985 176.094 -0.212 0.000 1.045 1170 V CA 1.429 63.662 62.300 -0.113 0.000 1.024 1170 V CB -0.428 31.257 31.823 -0.230 0.000 0.651 1170 V HN 0.237 nan 8.190 nan 0.000 0.449 1171 V N 0.318 120.052 119.914 -0.300 0.000 2.332 1171 V HA -0.308 3.815 4.120 0.004 0.000 0.248 1171 V C 2.703 178.720 176.094 -0.128 0.000 1.055 1171 V CA 2.157 64.304 62.300 -0.256 0.000 1.038 1171 V CB -1.091 30.667 31.823 -0.108 0.000 0.651 1171 V HN 0.575 nan 8.190 nan 0.000 0.450 1172 A N -0.379 122.404 122.820 -0.062 0.000 1.877 1172 A HA -0.164 4.158 4.320 0.004 0.000 0.216 1172 A C 2.204 179.728 177.584 -0.101 0.000 1.186 1172 A CA 1.876 53.885 52.037 -0.046 0.000 0.620 1172 A CB -0.501 18.512 19.000 0.021 0.000 0.822 1172 A HN 0.491 nan 8.150 nan 0.000 0.443 1173 L N -0.725 120.450 121.223 -0.080 0.000 1.994 1173 L HA -0.191 4.151 4.340 0.004 0.000 0.208 1173 L C 2.580 179.381 176.870 -0.114 0.000 1.071 1173 L CA 1.535 56.344 54.840 -0.051 0.000 0.745 1173 L CB -0.756 41.278 42.059 -0.043 0.000 0.892 1173 L HN 0.370 nan 8.230 nan 0.000 0.431 1174 I N -0.173 120.370 120.570 -0.044 0.000 2.113 1174 I HA -0.330 3.843 4.170 0.004 0.000 0.242 1174 I C 2.714 178.673 176.117 -0.264 0.000 1.064 1174 I CA 1.335 62.542 61.300 -0.155 0.000 1.320 1174 I CB -0.371 37.493 38.000 -0.227 0.000 1.028 1174 I HN 0.316 nan 8.210 nan 0.000 0.406 1175 E N 0.725 120.794 120.200 -0.217 0.000 2.085 1175 E HA -0.236 4.117 4.350 0.004 0.000 0.194 1175 E C 2.302 178.750 176.600 -0.255 0.000 0.994 1175 E CA 1.590 57.861 56.400 -0.215 0.000 0.801 1175 E CB -0.388 29.227 29.700 -0.141 0.000 0.743 1175 E HN 0.567 nan 8.360 nan 0.000 0.453 1176 A N 1.220 123.880 122.820 -0.267 0.000 1.898 1176 A HA -0.125 4.198 4.320 0.004 0.000 0.216 1176 A C 2.348 179.672 177.584 -0.433 0.000 1.181 1176 A CA 1.055 52.912 52.037 -0.300 0.000 0.620 1176 A CB -0.652 18.208 19.000 -0.233 0.000 0.819 1176 A HN 0.186 nan 8.150 nan 0.000 0.442 1177 I N -0.626 119.568 120.570 -0.627 0.000 2.335 1177 I HA -0.300 3.872 4.170 0.004 0.000 0.251 1177 I C 2.490 178.348 176.117 -0.432 0.000 1.129 1177 I CA 1.559 62.464 61.300 -0.659 0.000 1.402 1177 I CB -0.325 37.307 38.000 -0.615 0.000 1.069 1177 I HN 0.360 nan 8.210 nan 0.000 0.424 1178 K N 0.768 120.879 120.400 -0.483 0.000 1.967 1178 K HA -0.167 4.155 4.320 0.004 0.000 0.212 1178 K C 1.689 178.169 176.600 -0.200 0.000 1.044 1178 K CA 1.686 57.657 56.287 -0.526 0.000 0.942 1178 K CB -0.194 31.945 32.500 -0.601 0.000 0.726 1178 K HN 0.120 nan 8.250 nan 0.000 0.440 1179 D N 0.783 121.084 120.400 -0.165 0.000 2.315 1179 D HA -0.108 4.534 4.640 0.004 0.000 0.211 1179 D C 1.311 177.596 176.300 -0.025 0.000 0.977 1179 D CA 0.937 54.903 54.000 -0.058 0.000 0.894 1179 D CB -0.001 40.751 40.800 -0.079 0.000 0.910 1179 D HN 0.132 nan 8.370 nan 0.000 0.490 1180 L N -1.513 119.655 121.223 -0.092 0.000 2.664 1180 L HA 0.168 4.510 4.340 0.004 0.000 0.166 1180 L C 1.943 178.888 176.870 0.126 0.000 1.824 1180 L CA -0.536 54.288 54.840 -0.026 0.000 3.021 1180 L CB -0.495 41.469 42.059 -0.158 0.000 2.992 1180 L HN -0.207 nan 8.230 nan 0.000 0.755 1181 V N 0.287 120.252 119.914 0.085 0.000 0.465 1181 V HA -0.372 3.751 4.120 0.004 0.000 0.092 1181 V C 0.680 176.872 176.094 0.163 0.000 2.474 1181 V CA 2.423 64.794 62.300 0.118 0.000 3.680 1181 V CB -0.944 30.952 31.823 0.122 0.000 0.959 1181 V HN 1.082 nan 8.190 nan 0.000 1.006 1182 D N -0.808 119.716 120.400 0.206 0.000 2.722 1182 D HA 0.340 4.983 4.640 0.004 0.000 0.239 1182 D C 0.048 176.381 176.300 0.054 0.000 1.249 1182 D CA 0.043 54.117 54.000 0.125 0.000 0.830 1182 D CB -0.303 40.547 40.800 0.084 0.000 1.025 1182 D HN 0.788 nan 8.370 nan 0.000 0.486 1183 H N -0.903 118.241 119.070 0.124 0.000 2.865 1183 H HA 0.485 5.044 4.556 0.004 0.000 0.372 1183 H C -1.070 174.351 175.328 0.155 0.000 1.173 1183 H CA -0.885 55.264 56.048 0.168 0.000 1.147 1183 H CB 1.736 31.685 29.762 0.312 0.000 1.805 1183 H HN -0.041 nan 8.280 nan 0.000 0.553 1184 E N 1.577 121.942 120.200 0.274 0.000 2.197 1184 E HA 0.509 4.861 4.350 0.004 0.000 0.281 1184 E C -1.375 175.376 176.600 0.251 0.000 0.995 1184 E CA -0.480 56.040 56.400 0.201 0.000 0.808 1184 E CB 0.636 30.412 29.700 0.127 0.000 1.093 1184 E HN 0.345 nan 8.360 nan 0.000 0.394 1185 L N 2.469 123.812 121.223 0.201 0.000 2.409 1185 L HA 0.468 4.810 4.340 0.004 0.000 0.262 1185 L C -0.201 176.755 176.870 0.142 0.000 0.992 1185 L CA -1.298 53.659 54.840 0.195 0.000 0.817 1185 L CB 1.725 43.882 42.059 0.163 0.000 1.350 1185 L HN 0.360 nan 8.230 nan 0.000 0.411 1186 E N 1.599 121.879 120.200 0.133 0.000 2.384 1186 E HA 0.365 4.717 4.350 0.004 0.000 0.266 1186 E C 0.590 177.250 176.600 0.100 0.000 1.012 1186 E CA 1.172 57.636 56.400 0.107 0.000 0.901 1186 E CB 1.006 30.768 29.700 0.102 0.000 0.967 1186 E HN 0.763 nan 8.360 nan 0.000 0.435 1187 G N 3.536 112.389 108.800 0.088 0.000 2.791 1187 G HA2 -0.303 3.659 3.960 0.004 0.000 0.256 1187 G HA3 -0.303 3.659 3.960 0.004 0.000 0.256 1187 G C -0.624 174.331 174.900 0.092 0.000 1.380 1187 G CA 0.319 45.469 45.100 0.083 0.000 0.904 1187 G HN 0.599 nan 8.290 nan 0.000 0.563 1188 K N -1.059 119.396 120.400 0.091 0.000 2.201 1188 K HA 0.635 4.957 4.320 0.004 0.000 0.278 1188 K C -0.436 176.217 176.600 0.088 0.000 1.027 1188 K CA -1.042 55.306 56.287 0.102 0.000 0.909 1188 K CB 2.147 34.715 32.500 0.113 0.000 1.062 1188 K HN 0.383 nan 8.250 nan 0.000 0.465 1189 V N 5.315 125.293 119.914 0.107 0.000 2.370 1189 V HA 0.292 4.414 4.120 0.004 0.000 0.279 1189 V C 0.004 176.154 176.094 0.094 0.000 1.029 1189 V CA -0.716 61.629 62.300 0.075 0.000 0.870 1189 V CB 0.705 32.607 31.823 0.132 0.000 0.984 1189 V HN 0.708 nan 8.190 nan 0.000 0.451 1190 I N 5.234 125.760 120.570 -0.074 0.000 2.354 1190 I HA 0.471 4.643 4.170 0.004 0.000 0.292 1190 I C -0.897 175.084 176.117 -0.226 0.000 0.989 1190 I CA -0.268 60.989 61.300 -0.073 0.000 1.188 1190 I CB 1.419 39.305 38.000 -0.190 0.000 1.342 1190 I HN 0.392 nan 8.210 nan 0.000 0.457 1191 F N 4.510 124.404 119.950 -0.093 0.000 2.444 1191 F HA 0.699 5.228 4.527 0.004 0.000 0.342 1191 F C 0.356 175.972 175.800 -0.306 0.000 1.121 1191 F CA -0.569 57.316 58.000 -0.193 0.000 0.997 1191 F CB 1.874 40.746 39.000 -0.213 0.000 1.130 1191 F HN 0.434 nan 8.300 nan 0.000 0.454 1192 A N 3.495 126.135 122.820 -0.301 0.000 2.422 1192 A HA 0.796 5.119 4.320 0.004 0.000 0.302 1192 A C -1.686 175.652 177.584 -0.410 0.000 1.041 1192 A CA -0.535 51.343 52.037 -0.265 0.000 0.708 1192 A CB 0.590 19.488 19.000 -0.170 0.000 1.257 1192 A HN 0.553 nan 8.150 nan 0.000 0.414 1193 F N 2.236 122.199 119.950 0.021 0.000 2.308 1193 F HA 0.394 4.923 4.527 0.004 0.000 0.370 1193 F C 1.183 176.994 175.800 0.019 0.000 1.100 1193 F CA -0.226 57.775 58.000 0.001 0.000 1.108 1193 F CB 1.680 40.662 39.000 -0.029 0.000 1.293 1193 F HN 0.573 nan 8.300 nan 0.000 0.478 1194 T N 0.086 114.731 114.554 0.153 0.000 2.913 1194 T HA 0.648 5.001 4.350 0.004 0.000 0.287 1194 T C 0.066 174.843 174.700 0.127 0.000 1.008 1194 T CA -0.870 61.307 62.100 0.129 0.000 1.067 1194 T CB 1.580 70.525 68.868 0.129 0.000 0.996 1194 T HN 0.371 nan 8.240 nan 0.000 0.513 1195 V N 0.189 120.147 119.914 0.074 0.000 2.837 1195 V HA 0.475 4.598 4.120 0.004 0.000 0.310 1195 V C 0.332 176.446 176.094 0.035 0.000 1.059 1195 V CA -1.132 61.194 62.300 0.043 0.000 1.004 1195 V CB 0.557 32.370 31.823 -0.017 0.000 1.045 1195 V HN 1.053 nan 8.190 nan 0.000 0.465 1196 Q N -0.498 119.313 119.800 0.018 0.000 2.475 1196 Q HA -0.226 4.117 4.340 0.004 0.000 0.280 1196 Q C 1.133 177.113 176.000 -0.034 0.000 1.234 1196 Q CA 1.067 56.864 55.803 -0.009 0.000 0.873 1196 Q CB -1.004 27.728 28.738 -0.011 0.000 1.256 1196 Q HN 0.974 nan 8.270 nan 0.000 0.475 1197 E N 1.107 121.253 120.200 -0.090 0.000 2.107 1197 E HA -0.167 4.186 4.350 0.004 0.000 0.191 1197 E C 1.069 177.545 176.600 -0.207 0.000 0.982 1197 E CA 0.967 57.247 56.400 -0.200 0.000 0.809 1197 E CB 0.294 29.687 29.700 -0.513 0.000 0.756 1197 E HN 0.452 nan 8.360 nan 0.000 0.459 1198 E N 0.350 120.430 120.200 -0.199 0.000 2.478 1198 E HA -0.058 4.294 4.350 0.004 0.000 0.198 1198 E C 1.269 177.849 176.600 -0.033 0.000 1.046 1198 E CA 0.557 56.901 56.400 -0.093 0.000 0.870 1198 E CB 0.484 30.159 29.700 -0.042 0.000 0.818 1198 E HN 0.189 nan 8.360 nan 0.000 0.527 1199 V N -3.217 116.675 119.914 -0.036 0.000 2.843 1199 V HA 0.648 4.770 4.120 0.004 0.000 0.366 1199 V C 0.696 176.785 176.094 -0.009 0.000 1.283 1199 V CA -0.054 62.236 62.300 -0.016 0.000 1.303 1199 V CB 0.107 31.923 31.823 -0.012 0.000 1.418 1199 V HN 0.121 nan 8.190 nan 0.000 0.598 1200 G N 1.274 110.067 108.800 -0.011 0.000 2.141 1200 G HA2 -0.169 3.793 3.960 0.004 0.000 0.195 1200 G HA3 -0.169 3.793 3.960 0.004 0.000 0.195 1200 G C 0.210 175.114 174.900 0.006 0.000 1.012 1200 G CA -0.279 44.821 45.100 -0.000 0.000 0.696 1200 G HN 1.363 nan 8.290 nan 0.000 0.508 1201 L N -1.990 119.231 121.223 -0.002 0.000 3.717 1201 L HA -0.255 4.087 4.340 0.004 0.000 0.414 1201 L C 2.022 178.914 176.870 0.037 0.000 1.228 1201 L CA 1.175 56.026 54.840 0.018 0.000 0.918 1201 L CB -1.447 40.634 42.059 0.037 0.000 1.865 1201 L HN 0.286 nan 8.230 nan 0.000 0.922 1202 K N 0.725 121.143 120.400 0.031 0.000 2.217 1202 K HA 0.010 4.332 4.320 0.004 0.000 0.202 1202 K C 2.015 178.667 176.600 0.087 0.000 1.051 1202 K CA 1.342 57.660 56.287 0.052 0.000 0.952 1202 K CB -0.152 32.369 32.500 0.035 0.000 0.736 1202 K HN 0.605 nan 8.250 nan 0.000 0.453 1203 G N 1.277 110.120 108.800 0.072 0.000 2.404 1203 G HA2 -0.191 3.772 3.960 0.004 0.000 0.215 1203 G HA3 -0.191 3.772 3.960 0.004 0.000 0.215 1203 G C 1.721 176.720 174.900 0.165 0.000 1.174 1203 G CA 0.990 46.146 45.100 0.093 0.000 0.780 1203 G HN 0.349 nan 8.290 nan 0.000 0.537 1204 A N 0.700 123.610 122.820 0.150 0.000 1.978 1204 A HA -0.026 4.297 4.320 0.004 0.000 0.220 1204 A C 2.283 179.922 177.584 0.091 0.000 1.170 1204 A CA 1.964 54.120 52.037 0.199 0.000 0.636 1204 A CB -0.307 18.817 19.000 0.208 0.000 0.810 1204 A HN 0.394 nan 8.150 nan 0.000 0.448 1205 K N -1.948 118.486 120.400 0.058 0.000 2.167 1205 K HA 0.012 4.334 4.320 0.004 0.000 0.203 1205 K C 1.701 178.330 176.600 0.048 0.000 1.052 1205 K CA 1.137 57.414 56.287 -0.018 0.000 0.956 1205 K CB -0.215 32.288 32.500 0.005 0.000 0.735 1205 K HN 0.543 nan 8.250 nan 0.000 0.451 1206 F N 1.318 121.280 119.950 0.020 0.000 2.113 1206 F HA -0.173 4.355 4.527 0.003 0.000 0.297 1206 F C 1.942 177.832 175.800 0.150 0.000 1.103 1206 F CA 0.766 58.810 58.000 0.073 0.000 1.248 1206 F CB -0.058 38.968 39.000 0.043 0.000 0.999 1206 F HN -0.121 nan 8.300 nan 0.000 0.475 1207 L N 0.717 122.189 121.223 0.415 0.000 2.127 1207 L HA -0.149 4.193 4.340 0.004 0.000 0.211 1207 L C 2.385 179.499 176.870 0.407 0.000 1.089 1207 L CA 1.966 57.072 54.840 0.443 0.000 0.757 1207 L CB -1.175 41.134 42.059 0.416 0.000 0.899 1207 L HN 0.203 nan 8.230 nan 0.000 0.434 1208 A N -1.385 121.464 122.820 0.049 0.000 2.066 1208 A HA -0.135 4.188 4.320 0.004 0.000 0.218 1208 A C 1.927 179.445 177.584 -0.109 0.000 1.157 1208 A CA 1.436 53.305 52.037 -0.280 0.000 0.670 1208 A CB -0.780 17.628 19.000 -0.986 0.000 0.804 1208 A HN 0.658 nan 8.150 nan 0.000 0.453 1209 N N -1.575 117.072 118.700 -0.089 0.000 2.398 1209 N HA 0.009 4.751 4.740 0.004 0.000 0.188 1209 N C 0.416 175.640 175.510 -0.477 0.000 1.122 1209 N CA 0.259 53.183 53.050 -0.210 0.000 0.866 1209 N CB 0.057 38.382 38.487 -0.271 0.000 0.970 1209 N HN 0.627 nan 8.380 nan 0.000 0.462 1210 H N -2.069 116.802 119.070 -0.332 0.000 3.440 1210 H HA 0.234 4.792 4.556 0.003 0.000 0.259 1210 H C -0.973 173.883 175.328 -0.787 0.000 1.120 1210 H CA 0.090 55.865 56.048 -0.456 0.000 1.191 1210 H CB 0.582 30.192 29.762 -0.253 0.000 1.537 1210 H HN 0.045 nan 8.280 nan 0.000 0.547 1211 Y N -0.720 119.388 120.300 -0.319 0.000 2.524 1211 Y HA 0.396 4.948 4.550 0.004 0.000 0.347 1211 Y C -1.340 174.344 175.900 -0.360 0.000 1.005 1211 Y CA -1.295 56.652 58.100 -0.255 0.000 1.025 1211 Y CB 1.478 39.939 38.460 0.001 0.000 1.275 1211 Y HN -0.071 nan 8.280 nan 0.000 0.460 1212 Y N 2.541 122.991 120.300 0.249 0.000 2.490 1212 Y HA 0.339 4.891 4.550 0.003 0.000 0.346 1212 Y C -2.592 173.359 175.900 0.085 0.000 1.023 1212 Y CA -3.041 55.157 58.100 0.163 0.000 1.142 1212 Y CB 0.218 38.724 38.460 0.076 0.000 1.126 1212 Y HN 0.310 nan 8.280 nan 0.000 0.647 1213 P HA 0.099 nan 4.420 nan 0.000 0.274 1213 P C 0.579 177.840 177.300 -0.065 0.000 1.237 1213 P CA -0.168 62.933 63.100 0.003 0.000 0.793 1213 P CB 1.751 33.371 31.700 -0.133 0.000 0.977 1214 Q N 1.015 120.720 119.800 -0.158 0.000 2.016 1214 Q HA -0.108 4.234 4.340 0.004 0.000 0.200 1214 Q C -0.197 175.486 176.000 -0.528 0.000 0.978 1214 Q CA 1.435 57.011 55.803 -0.379 0.000 0.833 1214 Q CB -0.106 28.311 28.738 -0.535 0.000 0.895 1214 Q HN 0.494 nan 8.270 nan 0.000 0.427 1215 Y N -0.913 119.305 120.300 -0.138 0.000 2.377 1215 Y HA 0.627 5.180 4.550 0.004 0.000 0.339 1215 Y C -0.530 175.138 175.900 -0.387 0.000 1.011 1215 Y CA -1.003 56.936 58.100 -0.267 0.000 1.093 1215 Y CB 1.944 40.281 38.460 -0.205 0.000 1.201 1215 Y HN 0.046 nan 8.280 nan 0.000 0.455 1216 A N 4.046 126.637 122.820 -0.382 0.000 2.340 1216 A HA 0.757 5.079 4.320 0.004 0.000 0.297 1216 A C -1.531 175.733 177.584 -0.533 0.000 1.195 1216 A CA -0.536 51.212 52.037 -0.483 0.000 0.769 1216 A CB -0.056 18.590 19.000 -0.590 0.000 1.163 1216 A HN 0.572 nan 8.150 nan 0.000 0.472 1217 F N 1.321 121.027 119.950 -0.407 0.000 2.440 1217 F HA 0.723 5.253 4.527 0.004 0.000 0.328 1217 F C 0.773 176.463 175.800 -0.184 0.000 1.070 1217 F CA -0.398 57.435 58.000 -0.278 0.000 1.011 1217 F CB 2.034 40.874 39.000 -0.267 0.000 1.226 1217 F HN 0.641 nan 8.300 nan 0.000 0.491 1218 A N 2.573 125.445 122.820 0.087 0.000 2.342 1218 A HA 0.755 5.077 4.320 0.004 0.000 0.323 1218 A C -1.111 176.545 177.584 0.121 0.000 1.125 1218 A CA -0.602 51.484 52.037 0.081 0.000 0.785 1218 A CB 0.609 19.648 19.000 0.065 0.000 1.221 1218 A HN 0.549 nan 8.150 nan 0.000 0.463 1219 I N 3.116 123.738 120.570 0.086 0.000 2.307 1219 I HA 0.400 4.573 4.170 0.004 0.000 0.287 1219 I C -0.409 175.706 176.117 -0.002 0.000 1.054 1219 I CA 0.219 61.557 61.300 0.064 0.000 1.218 1219 I CB 0.234 38.222 38.000 -0.021 0.000 1.398 1219 I HN 0.666 nan 8.210 nan 0.000 0.475 1220 D N 3.266 123.758 120.400 0.153 0.000 2.664 1220 D HA 0.417 5.060 4.640 0.004 0.000 0.292 1220 D C -0.562 176.008 176.300 0.450 0.000 1.214 1220 D CA -0.182 53.930 54.000 0.186 0.000 0.932 1220 D CB 2.047 42.977 40.800 0.216 0.000 1.420 1220 D HN 0.352 nan 8.370 nan 0.000 0.471 1221 S N -0.167 115.808 115.700 0.457 0.000 2.593 1221 S HA 0.401 4.873 4.470 0.004 0.000 0.269 1221 S C -0.049 174.757 174.600 0.342 0.000 1.334 1221 S CA -0.533 57.948 58.200 0.468 0.000 1.015 1221 S CB 0.569 64.000 63.200 0.385 0.000 0.912 1221 S HN 0.380 nan 8.310 nan 0.000 0.541 1222 F N 1.325 121.355 119.950 0.134 0.000 2.430 1222 F HA 0.557 5.086 4.527 0.004 0.000 0.362 1222 F C 0.215 176.046 175.800 0.052 0.000 1.103 1222 F CA -0.889 57.163 58.000 0.087 0.000 1.045 1222 F CB 0.282 39.319 39.000 0.063 0.000 1.276 1222 F HN 0.821 nan 8.300 nan 0.000 0.444 1223 A N 5.156 127.851 122.820 -0.208 0.000 2.524 1223 A HA 0.407 4.729 4.320 0.004 0.000 0.250 1223 A C -0.385 177.135 177.584 -0.105 0.000 1.078 1223 A CA 0.125 52.084 52.037 -0.130 0.000 0.761 1223 A CB -0.285 18.619 19.000 -0.159 0.000 1.012 1223 A HN 0.913 nan 8.150 nan 0.000 0.500 1224 C N 2.612 121.928 119.300 0.028 0.000 3.086 1224 C HA 0.742 5.204 4.460 0.004 0.000 0.311 1224 C C -0.621 174.359 174.990 -0.016 0.000 1.260 1224 C CA -0.544 58.530 59.018 0.094 0.000 1.426 1224 C CB 0.470 28.341 27.740 0.218 0.000 1.826 1224 C HN 1.027 nan 8.230 nan 0.000 0.474 1225 C N 2.798 122.092 119.300 -0.010 0.000 2.707 1225 C HA 1.005 5.467 4.460 0.004 0.000 0.313 1225 C C 0.054 175.064 174.990 0.032 0.000 1.209 1225 C CA -0.209 58.835 59.018 0.044 0.000 1.635 1225 C CB 1.014 28.778 27.740 0.041 0.000 2.206 1225 C HN 1.195 nan 8.230 nan 0.000 0.485 1226 S N 0.509 116.237 115.700 0.046 0.000 2.661 1226 S HA 0.573 5.045 4.470 0.004 0.000 0.268 1226 S C -2.784 171.840 174.600 0.040 0.000 1.162 1226 S CA -0.736 57.484 58.200 0.034 0.000 0.817 1226 S CB 0.669 63.882 63.200 0.022 0.000 1.141 1226 S HN 0.304 nan 8.310 nan 0.000 0.477 1227 P HA -0.082 nan 4.420 nan 0.000 0.217 1227 P C 1.621 178.943 177.300 0.037 0.000 1.151 1227 P CA 0.922 64.041 63.100 0.031 0.000 0.849 1227 P CB -0.079 31.635 31.700 0.023 0.000 0.787 1228 L N -0.355 120.888 121.223 0.033 0.000 2.191 1228 L HA -0.081 4.262 4.340 0.004 0.000 0.212 1228 L C 1.666 178.578 176.870 0.069 0.000 1.103 1228 L CA 2.174 57.034 54.840 0.035 0.000 0.769 1228 L CB -1.347 40.718 42.059 0.009 0.000 0.908 1228 L HN 0.047 nan 8.230 nan 0.000 0.438 1229 T N -3.355 111.256 114.554 0.095 0.000 3.244 1229 T HA 0.467 4.819 4.350 0.004 0.000 0.254 1229 T C 1.245 176.042 174.700 0.162 0.000 1.024 1229 T CA 0.110 62.325 62.100 0.191 0.000 0.920 1229 T CB -0.717 68.316 68.868 0.274 0.000 1.042 1229 T HN 0.590 nan 8.240 nan 0.000 0.572 1230 G N 2.440 111.301 108.800 0.102 0.000 2.672 1230 G HA2 -0.357 3.605 3.960 0.004 0.000 0.324 1230 G HA3 -0.357 3.605 3.960 0.004 0.000 0.324 1230 G C 0.310 175.247 174.900 0.061 0.000 1.286 1230 G CA 0.680 45.824 45.100 0.073 0.000 1.004 1230 G HN 0.497 nan 8.290 nan 0.000 0.548 1231 D N 0.286 120.715 120.400 0.048 0.000 2.340 1231 D HA 0.334 4.977 4.640 0.004 0.000 0.217 1231 D C 1.121 177.431 176.300 0.016 0.000 1.081 1231 D CA 0.059 54.078 54.000 0.032 0.000 0.842 1231 D CB 0.311 41.127 40.800 0.027 0.000 0.934 1231 D HN 0.367 nan 8.370 nan 0.000 0.511 1232 V N 1.366 121.287 119.914 0.011 0.000 2.617 1232 V HA -0.027 4.095 4.120 0.004 0.000 0.304 1232 V C 0.623 176.713 176.094 -0.006 0.000 1.040 1232 V CA 0.581 62.854 62.300 -0.046 0.000 1.149 1232 V CB 0.439 32.184 31.823 -0.130 0.000 0.914 1232 V HN -0.029 nan 8.190 nan 0.000 0.487 1233 K N 4.016 124.396 120.400 -0.034 0.000 2.502 1233 K HA 0.516 4.839 4.320 0.004 0.000 0.257 1233 K C -1.047 175.539 176.600 -0.023 0.000 0.938 1233 K CA -0.935 55.346 56.287 -0.009 0.000 0.819 1233 K CB 1.908 34.405 32.500 -0.004 0.000 1.333 1233 K HN 0.485 nan 8.250 nan 0.000 0.434 1234 L N 2.113 123.353 121.223 0.028 0.000 2.499 1234 L HA 0.093 4.436 4.340 0.004 0.000 0.273 1234 L C 1.254 178.103 176.870 -0.035 0.000 1.195 1234 L CA 1.103 55.983 54.840 0.066 0.000 0.882 1234 L CB 0.144 42.352 42.059 0.247 0.000 1.133 1234 L HN 1.147 nan 8.230 nan 0.000 0.483 1235 G N 2.531 111.160 108.800 -0.285 0.000 2.157 1235 G HA2 -0.227 3.736 3.960 0.004 0.000 0.248 1235 G HA3 -0.227 3.736 3.960 0.004 0.000 0.248 1235 G C 0.780 175.432 174.900 -0.414 0.000 0.979 1235 G CA -0.211 44.411 45.100 -0.796 0.000 0.650 1235 G HN 0.585 nan 8.290 nan 0.000 0.529 1236 K N 0.576 120.832 120.400 -0.240 0.000 2.399 1236 K HA 0.496 4.818 4.320 0.004 0.000 0.204 1236 K C 1.106 177.601 176.600 -0.175 0.000 1.023 1236 K CA 0.787 56.971 56.287 -0.173 0.000 1.127 1236 K CB 0.501 32.934 32.500 -0.111 0.000 0.856 1236 K HN 1.692 nan 8.250 nan 0.000 0.514 1237 G N 2.224 110.903 108.800 -0.201 0.000 2.440 1237 G HA2 -0.125 3.837 3.960 0.004 0.000 0.684 1237 G HA3 -0.125 3.837 3.960 0.004 0.000 0.684 1237 G C -3.092 171.703 174.900 -0.174 0.000 1.309 1237 G CA -1.156 43.833 45.100 -0.185 0.000 0.931 1237 G HN -0.177 nan 8.290 nan 0.000 0.612 1238 P HA 0.406 nan 4.420 nan 0.000 0.272 1238 P C -0.165 177.045 177.300 -0.150 0.000 1.248 1238 P CA -0.015 63.004 63.100 -0.136 0.000 0.799 1238 P CB 1.173 32.808 31.700 -0.107 0.000 0.997 1239 V N 0.800 120.633 119.914 -0.135 0.000 2.841 1239 V HA 0.403 4.525 4.120 0.004 0.000 0.310 1239 V C -0.443 175.617 176.094 -0.058 0.000 1.090 1239 V CA -1.222 60.971 62.300 -0.177 0.000 0.930 1239 V CB 1.646 33.185 31.823 -0.474 0.000 1.014 1239 V HN 0.273 nan 8.190 nan 0.000 0.425 1240 I N 6.011 126.594 120.570 0.022 0.000 2.471 1240 I HA 0.400 4.572 4.170 0.004 0.000 0.286 1240 I C 0.835 177.039 176.117 0.146 0.000 1.079 1240 I CA -0.082 61.286 61.300 0.113 0.000 1.398 1240 I CB 0.749 38.864 38.000 0.192 0.000 1.403 1240 I HN 0.535 nan 8.210 nan 0.000 0.530 1241 R N 5.693 126.317 120.500 0.207 0.000 3.235 1241 R HA 0.282 4.624 4.340 0.004 0.000 0.232 1241 R C 0.962 177.471 176.300 0.347 0.000 1.475 1241 R CA -0.126 56.184 56.100 0.349 0.000 1.405 1241 R CB 0.470 30.969 30.300 0.332 0.000 1.266 1241 R HN 0.892 nan 8.270 nan 0.000 0.650 1242 A N 2.768 125.776 122.820 0.314 0.000 1.877 1242 A HA -0.045 4.277 4.320 0.004 0.000 0.216 1242 A C 0.691 178.484 177.584 0.349 0.000 1.186 1242 A CA 1.104 53.315 52.037 0.291 0.000 0.620 1242 A CB 0.393 19.499 19.000 0.175 0.000 0.822 1242 A HN 0.354 nan 8.150 nan 0.000 0.443 1243 V N 0.672 120.743 119.914 0.262 0.000 2.760 1243 V HA 0.533 4.655 4.120 0.004 0.000 0.309 1243 V C -1.491 174.673 176.094 0.117 0.000 1.077 1243 V CA -0.368 62.003 62.300 0.118 0.000 0.910 1243 V CB 2.067 33.917 31.823 0.046 0.000 1.008 1243 V HN 0.709 nan 8.190 nan 0.000 0.424 1244 D N 1.418 121.835 120.400 0.027 0.000 2.744 1244 D HA 0.278 4.921 4.640 0.004 0.000 0.304 1244 D C 0.227 176.501 176.300 -0.043 0.000 1.179 1244 D CA -0.828 53.182 54.000 0.017 0.000 1.024 1244 D CB 0.839 41.690 40.800 0.086 0.000 1.453 1244 D HN 0.234 nan 8.370 nan 0.000 0.529 1245 N N -1.130 117.551 118.700 -0.032 0.000 2.519 1245 N HA -0.096 4.646 4.740 0.004 0.000 0.186 1245 N C 1.154 176.635 175.510 -0.049 0.000 1.062 1245 N CA 1.284 54.310 53.050 -0.039 0.000 0.910 1245 N CB 0.016 38.485 38.487 -0.029 0.000 0.958 1245 N HN 0.457 nan 8.380 nan 0.000 0.445 1246 S N -1.186 114.480 115.700 -0.056 0.000 2.503 1246 S HA 0.512 4.984 4.470 0.004 0.000 0.215 1246 S C 0.423 174.933 174.600 -0.149 0.000 1.003 1246 S CA -0.065 58.099 58.200 -0.061 0.000 0.910 1246 S CB 0.619 63.823 63.200 0.006 0.000 0.790 1246 S HN 0.186 nan 8.310 nan 0.000 0.514 1247 A N 0.413 123.062 122.820 -0.285 0.000 2.590 1247 A HA 0.599 4.922 4.320 0.004 0.000 0.296 1247 A C -1.461 175.805 177.584 -0.529 0.000 1.050 1247 A CA -0.884 50.879 52.037 -0.458 0.000 0.697 1247 A CB 0.348 18.931 19.000 -0.695 0.000 1.277 1247 A HN 0.341 nan 8.150 nan 0.000 0.411 1248 I N 2.687 123.052 120.570 -0.342 0.000 2.291 1248 I HA 0.277 4.449 4.170 0.004 0.000 0.292 1248 I C -0.471 175.517 176.117 -0.214 0.000 1.064 1248 I CA -0.193 60.971 61.300 -0.227 0.000 1.269 1248 I CB 0.106 38.046 38.000 -0.100 0.000 1.418 1248 I HN 0.633 nan 8.210 nan 0.000 0.485 1249 Y N 3.408 123.722 120.300 0.023 0.000 2.299 1249 Y HA 0.106 4.658 4.550 0.004 0.000 0.335 1249 Y C 1.386 177.290 175.900 0.006 0.000 1.287 1249 Y CA -0.381 57.727 58.100 0.014 0.000 1.424 1249 Y CB 0.571 39.044 38.460 0.022 0.000 1.326 1249 Y HN 0.438 nan 8.280 nan 0.000 0.567 1250 S N 1.571 117.379 115.700 0.181 0.000 2.737 1250 S HA -0.058 4.414 4.470 0.004 0.000 0.315 1250 S C 1.075 175.725 174.600 0.084 0.000 1.236 1250 S CA -0.112 58.143 58.200 0.093 0.000 1.093 1250 S CB 0.117 63.355 63.200 0.062 0.000 0.832 1250 S HN 0.571 nan 8.310 nan 0.000 0.507 1251 R N 2.074 122.611 120.500 0.061 0.000 2.115 1251 R HA -0.087 4.255 4.340 0.004 0.000 0.226 1251 R C 1.823 178.148 176.300 0.042 0.000 1.100 1251 R CA 1.447 57.575 56.100 0.046 0.000 0.980 1251 R CB -0.147 30.167 30.300 0.023 0.000 0.875 1251 R HN 0.737 nan 8.270 nan 0.000 0.445 1252 D N 0.880 121.308 120.400 0.047 0.000 2.123 1252 D HA -0.161 4.481 4.640 0.004 0.000 0.200 1252 D C 1.891 178.233 176.300 0.069 0.000 0.976 1252 D CA 0.597 54.630 54.000 0.054 0.000 0.831 1252 D CB -0.436 40.399 40.800 0.058 0.000 0.974 1252 D HN 0.080 nan 8.370 nan 0.000 0.469 1253 L N 1.403 122.671 121.223 0.074 0.000 2.081 1253 L HA -0.093 4.249 4.340 0.004 0.000 0.212 1253 L C 2.374 179.283 176.870 0.064 0.000 1.080 1253 L CA 1.917 56.788 54.840 0.051 0.000 0.754 1253 L CB -0.994 41.064 42.059 -0.001 0.000 0.893 1253 L HN 0.134 nan 8.230 nan 0.000 0.433 1254 A N -1.212 121.657 122.820 0.082 0.000 1.968 1254 A HA -0.123 4.200 4.320 0.004 0.000 0.217 1254 A C 2.412 180.084 177.584 0.146 0.000 1.169 1254 A CA 0.956 53.067 52.037 0.123 0.000 0.638 1254 A CB -0.471 18.595 19.000 0.110 0.000 0.812 1254 A HN 0.364 nan 8.150 nan 0.000 0.446 1255 R N 0.372 120.927 120.500 0.093 0.000 2.066 1255 R HA -0.087 4.255 4.340 0.004 0.000 0.232 1255 R C 1.968 178.352 176.300 0.140 0.000 1.131 1255 R CA 1.752 57.906 56.100 0.090 0.000 0.955 1255 R CB -0.417 29.907 30.300 0.039 0.000 0.851 1255 R HN 0.609 nan 8.270 nan 0.000 0.432 1256 K N -0.212 120.248 120.400 0.101 0.000 2.009 1256 K HA -0.109 4.213 4.320 0.004 0.000 0.210 1256 K C 2.102 178.760 176.600 0.096 0.000 1.049 1256 K CA 1.650 57.983 56.287 0.077 0.000 0.929 1256 K CB -0.329 32.181 32.500 0.016 0.000 0.714 1256 K HN -0.037 nan 8.250 nan 0.000 0.440 1257 V N 0.893 120.878 119.914 0.119 0.000 2.332 1257 V HA -0.265 3.857 4.120 0.004 0.000 0.248 1257 V C 1.983 178.151 176.094 0.123 0.000 1.055 1257 V CA 1.579 63.946 62.300 0.112 0.000 1.038 1257 V CB -0.566 31.355 31.823 0.163 0.000 0.651 1257 V HN 0.547 nan 8.190 nan 0.000 0.450 1258 W N 0.432 121.737 121.300 0.007 0.000 2.374 1258 W HA -0.203 4.459 4.660 0.004 0.000 0.288 1258 W C 2.741 179.257 176.519 -0.005 0.000 1.218 1258 W CA 2.069 59.413 57.345 -0.001 0.000 1.245 1258 W CB -0.216 29.245 29.460 0.002 0.000 1.126 1258 W HN 0.407 nan 8.180 nan 0.000 0.545 1259 S N 0.507 116.341 115.700 0.223 0.000 2.335 1259 S HA -0.157 4.316 4.470 0.004 0.000 0.217 1259 S C 1.928 176.549 174.600 0.036 0.000 1.032 1259 S CA 1.495 59.776 58.200 0.136 0.000 0.985 1259 S CB -0.628 62.643 63.200 0.119 0.000 0.896 1259 S HN 0.198 nan 8.310 nan 0.000 0.445 1260 I N 1.917 122.501 120.570 0.024 0.000 2.399 1260 I HA -0.214 3.959 4.170 0.004 0.000 0.254 1260 I C 2.642 178.730 176.117 -0.049 0.000 1.146 1260 I CA 1.183 62.479 61.300 -0.007 0.000 1.412 1260 I CB -0.424 37.571 38.000 -0.008 0.000 1.076 1260 I HN 0.416 nan 8.210 nan 0.000 0.432 1261 A N 0.039 122.801 122.820 -0.097 0.000 1.930 1261 A HA -0.114 4.208 4.320 0.004 0.000 0.215 1261 A C 2.247 179.713 177.584 -0.196 0.000 1.176 1261 A CA 0.945 52.875 52.037 -0.177 0.000 0.632 1261 A CB -0.306 18.521 19.000 -0.287 0.000 0.819 1261 A HN 0.366 nan 8.150 nan 0.000 0.445 1262 E N -0.199 119.888 120.200 -0.189 0.000 2.106 1262 E HA -0.181 4.171 4.350 0.004 0.000 0.192 1262 E C 2.011 178.567 176.600 -0.072 0.000 0.984 1262 E CA 1.162 57.479 56.400 -0.140 0.000 0.806 1262 E CB -0.135 29.525 29.700 -0.067 0.000 0.750 1262 E HN 0.638 nan 8.360 nan 0.000 0.458 1263 K N 0.936 121.309 120.400 -0.045 0.000 2.103 1263 K HA -0.126 4.196 4.320 0.004 0.000 0.207 1263 K C 1.293 177.871 176.600 -0.037 0.000 1.048 1263 K CA 1.165 57.437 56.287 -0.026 0.000 0.930 1263 K CB 0.090 32.584 32.500 -0.010 0.000 0.716 1263 K HN 0.003 nan 8.250 nan 0.000 0.444 1264 N N -0.186 118.482 118.700 -0.053 0.000 2.268 1264 N HA 0.033 4.775 4.740 0.004 0.000 0.204 1264 N C 0.416 175.887 175.510 -0.066 0.000 1.124 1264 N CA 0.838 53.857 53.050 -0.052 0.000 0.838 1264 N CB 1.060 39.520 38.487 -0.045 0.000 0.994 1264 N HN 0.468 nan 8.380 nan 0.000 0.489 1265 G N 1.403 110.158 108.800 -0.076 0.000 2.166 1265 G HA2 -0.292 3.670 3.960 0.004 0.000 0.260 1265 G HA3 -0.292 3.670 3.960 0.004 0.000 0.260 1265 G C 0.168 175.004 174.900 -0.106 0.000 0.986 1265 G CA -0.094 44.957 45.100 -0.082 0.000 0.683 1265 G HN 0.399 nan 8.290 nan 0.000 0.527 1266 I N 1.433 121.925 120.570 -0.130 0.000 2.421 1266 I HA 0.244 4.416 4.170 0.004 0.000 0.291 1266 I C 0.832 176.822 176.117 -0.212 0.000 1.089 1266 I CA -0.451 60.757 61.300 -0.154 0.000 1.354 1266 I CB 0.720 38.627 38.000 -0.155 0.000 1.413 1266 I HN 0.361 nan 8.210 nan 0.000 0.513 1267 E N 8.328 128.415 120.200 -0.188 0.000 2.376 1267 E HA 0.389 4.741 4.350 0.004 0.000 0.266 1267 E C -1.041 175.404 176.600 -0.258 0.000 1.009 1267 E CA 0.108 56.380 56.400 -0.214 0.000 0.902 1267 E CB 1.063 30.669 29.700 -0.157 0.000 0.972 1267 E HN 0.584 nan 8.360 nan 0.000 0.439 1268 I N 2.338 122.697 120.570 -0.351 0.000 3.102 1268 I HA 0.356 4.528 4.170 0.004 0.000 0.310 1268 I C -1.361 174.549 176.117 -0.346 0.000 1.246 1268 I CA -0.658 60.401 61.300 -0.401 0.000 0.979 1268 I CB 1.817 39.462 38.000 -0.592 0.000 1.267 1268 I HN 0.696 nan 8.210 nan 0.000 0.451 1269 Q N 4.214 123.912 119.800 -0.170 0.000 2.495 1269 Q HA 0.667 5.009 4.340 0.004 0.000 0.287 1269 Q C -1.684 174.413 176.000 0.162 0.000 1.078 1269 Q CA -0.795 55.020 55.803 0.020 0.000 0.793 1269 Q CB 3.540 32.214 28.738 -0.106 0.000 1.459 1269 Q HN 0.591 nan 8.270 nan 0.000 0.422 1270 I N -0.259 120.417 120.570 0.176 0.000 2.692 1270 I HA 0.801 4.973 4.170 0.004 0.000 0.293 1270 I C -1.146 174.995 176.117 0.040 0.000 1.200 1270 I CA -0.131 61.252 61.300 0.137 0.000 1.036 1270 I CB 2.038 40.154 38.000 0.194 0.000 1.258 1270 I HN 0.693 nan 8.210 nan 0.000 0.421 1271 G N 4.982 113.827 108.800 0.075 0.000 2.548 1271 G HA2 0.566 4.529 3.960 0.004 0.000 0.301 1271 G HA3 0.566 4.529 3.960 0.004 0.000 0.301 1271 G C -2.159 172.974 174.900 0.389 0.000 1.349 1271 G CA -0.551 44.667 45.100 0.198 0.000 0.792 1271 G HN 0.470 nan 8.290 nan 0.000 0.481 1272 V N -0.163 119.980 119.914 0.383 0.000 2.555 1272 V HA 0.865 4.987 4.120 0.004 0.000 0.302 1272 V C 0.289 176.447 176.094 0.106 0.000 1.038 1272 V CA -0.231 62.213 62.300 0.239 0.000 0.887 1272 V CB 1.578 33.475 31.823 0.124 0.000 0.991 1272 V HN 1.073 nan 8.190 nan 0.000 0.434 1273 T N 2.122 116.621 114.554 -0.093 0.000 2.681 1273 T HA 0.707 5.059 4.350 0.004 0.000 0.296 1273 T C -0.119 174.478 174.700 -0.172 0.000 1.157 1273 T CA 0.199 62.105 62.100 -0.324 0.000 1.025 1273 T CB 1.812 70.112 68.868 -0.946 0.000 1.441 1273 T HN 0.985 nan 8.240 nan 0.000 0.504 1274 G N -0.922 107.770 108.800 -0.180 0.000 2.488 1274 G HA2 0.627 4.590 3.960 0.004 0.000 0.318 1274 G HA3 0.627 4.590 3.960 0.004 0.000 0.318 1274 G C 0.431 175.278 174.900 -0.089 0.000 1.188 1274 G CA 0.206 45.243 45.100 -0.104 0.000 0.944 1274 G HN 1.522 nan 8.290 nan 0.000 0.495 1275 G N -1.664 107.104 108.800 -0.054 0.000 2.685 1275 G HA2 0.464 4.426 3.960 0.004 0.000 0.387 1275 G HA3 0.464 4.426 3.960 0.004 0.000 0.387 1275 G C 0.104 175.010 174.900 0.011 0.000 1.324 1275 G CA -0.017 45.064 45.100 -0.032 0.000 0.878 1275 G HN 1.850 nan 8.290 nan 0.000 0.527 1276 G N -1.433 107.388 108.800 0.035 0.000 2.630 1276 G HA2 1.105 5.067 3.960 0.004 0.000 0.296 1276 G HA3 1.105 5.067 3.960 0.004 0.000 0.296 1276 G C -0.091 174.880 174.900 0.118 0.000 1.285 1276 G CA 0.915 46.063 45.100 0.080 0.000 0.958 1276 G HN 2.144 nan 8.290 nan 0.000 0.479 1277 T N -2.655 112.010 114.554 0.185 0.000 2.883 1277 T HA 0.377 4.729 4.350 0.004 0.000 0.296 1277 T C 0.120 174.920 174.700 0.168 0.000 1.117 1277 T CA -0.508 61.694 62.100 0.169 0.000 1.006 1277 T CB 2.135 71.109 68.868 0.177 0.000 1.191 1277 T HN 0.216 nan 8.240 nan 0.000 0.508 1278 D N 0.738 121.223 120.400 0.143 0.000 2.239 1278 D HA -0.127 4.516 4.640 0.004 0.000 0.202 1278 D C 2.216 178.655 176.300 0.233 0.000 0.993 1278 D CA 1.718 55.817 54.000 0.166 0.000 0.874 1278 D CB -0.441 40.453 40.800 0.157 0.000 0.922 1278 D HN 0.766 nan 8.370 nan 0.000 0.464 1279 A N 0.854 123.788 122.820 0.190 0.000 1.933 1279 A HA -0.188 4.134 4.320 0.004 0.000 0.218 1279 A C 2.318 180.101 177.584 0.332 0.000 1.175 1279 A CA 2.160 54.313 52.037 0.194 0.000 0.628 1279 A CB -0.648 18.337 19.000 -0.025 0.000 0.814 1279 A HN 0.324 nan 8.150 nan 0.000 0.444 1280 S N 0.282 116.200 115.700 0.363 0.000 2.419 1280 S HA -0.004 4.469 4.470 0.004 0.000 0.235 1280 S C 1.878 176.574 174.600 0.161 0.000 1.019 1280 S CA 1.317 59.671 58.200 0.257 0.000 0.982 1280 S CB -0.576 62.717 63.200 0.155 0.000 0.789 1280 S HN 0.972 nan 8.310 nan 0.000 0.490 1281 A N -0.308 122.612 122.820 0.166 0.000 2.216 1281 A HA 0.293 4.615 4.320 0.004 0.000 0.214 1281 A C 1.332 178.832 177.584 -0.139 0.000 1.160 1281 A CA 0.639 52.685 52.037 0.014 0.000 0.725 1281 A CB -0.678 18.317 19.000 -0.009 0.000 0.784 1281 A HN 0.634 nan 8.150 nan 0.000 0.472 1282 F N -0.788 119.198 119.950 0.060 0.000 2.706 1282 F HA 0.097 4.627 4.527 0.005 0.000 0.313 1282 F C 2.196 178.019 175.800 0.038 0.000 1.096 1282 F CA 0.271 58.301 58.000 0.050 0.000 1.219 1282 F CB 0.168 39.187 39.000 0.031 0.000 1.051 1282 F HN 0.433 nan 8.300 nan 0.000 0.568 1283 Q N 0.722 120.626 119.800 0.174 0.000 2.364 1283 Q HA -0.183 4.160 4.340 0.004 0.000 0.207 1283 Q C 0.883 176.919 176.000 0.060 0.000 0.970 1283 Q CA 1.736 57.605 55.803 0.111 0.000 0.888 1283 Q CB -0.593 28.193 28.738 0.080 0.000 0.951 1283 Q HN 0.414 nan 8.270 nan 0.000 0.469 1284 D N 1.012 121.436 120.400 0.041 0.000 2.324 1284 D HA -0.118 4.525 4.640 0.004 0.000 0.235 1284 D C 1.213 177.524 176.300 0.019 0.000 1.095 1284 D CA 0.456 54.464 54.000 0.012 0.000 0.871 1284 D CB 0.067 40.860 40.800 -0.013 0.000 0.906 1284 D HN 0.708 nan 8.370 nan 0.000 0.522 1285 R N -2.420 118.116 120.500 0.060 0.000 2.624 1285 R HA 0.186 4.528 4.340 0.004 0.000 0.176 1285 R C -0.009 176.337 176.300 0.077 0.000 0.956 1285 R CA -0.349 55.789 56.100 0.063 0.000 1.723 1285 R CB 0.022 30.388 30.300 0.110 0.000 1.693 1285 R HN -0.027 nan 8.270 nan 0.000 0.520 1286 S N 0.467 116.234 115.700 0.112 0.000 2.715 1286 S HA 0.472 4.944 4.470 0.004 0.000 0.307 1286 S C -1.052 173.551 174.600 0.004 0.000 1.119 1286 S CA -0.879 57.346 58.200 0.043 0.000 0.937 1286 S CB 2.219 65.456 63.200 0.061 0.000 1.150 1286 S HN 0.100 nan 8.310 nan 0.000 0.521 1287 K N 2.435 122.798 120.400 -0.062 0.000 2.276 1287 K HA 0.373 4.695 4.320 0.004 0.000 0.285 1287 K C -0.187 176.370 176.600 -0.072 0.000 1.062 1287 K CA -0.192 56.078 56.287 -0.029 0.000 0.918 1287 K CB 0.853 33.353 32.500 0.001 0.000 1.055 1287 K HN 0.745 nan 8.250 nan 0.000 0.477 1288 T N 0.746 115.284 114.554 -0.026 0.000 2.888 1288 T HA 0.677 5.030 4.350 0.004 0.000 0.284 1288 T C -0.682 173.934 174.700 -0.141 0.000 1.017 1288 T CA -0.916 61.136 62.100 -0.080 0.000 1.022 1288 T CB 1.244 70.199 68.868 0.146 0.000 1.013 1288 T HN 0.316 nan 8.240 nan 0.000 0.465 1289 L N 0.818 121.781 121.223 -0.434 0.000 2.568 1289 L HA 0.882 5.224 4.340 0.004 0.000 0.257 1289 L C -1.540 174.997 176.870 -0.555 0.000 1.024 1289 L CA -0.785 53.768 54.840 -0.478 0.000 0.854 1289 L CB 1.915 43.793 42.059 -0.303 0.000 1.460 1289 L HN 1.172 nan 8.230 nan 0.000 0.409 1290 A N 2.941 125.441 122.820 -0.533 0.000 2.374 1290 A HA 0.840 5.162 4.320 0.004 0.000 0.305 1290 A C -1.731 175.868 177.584 0.025 0.000 1.053 1290 A CA -0.428 51.464 52.037 -0.243 0.000 0.726 1290 A CB 1.091 19.877 19.000 -0.357 0.000 1.229 1290 A HN 0.624 nan 8.150 nan 0.000 0.431 1291 L N 1.792 123.098 121.223 0.138 0.000 2.342 1291 L HA 0.816 5.159 4.340 0.004 0.000 0.271 1291 L C 0.165 177.148 176.870 0.188 0.000 1.008 1291 L CA -0.406 54.525 54.840 0.152 0.000 0.818 1291 L CB 2.421 44.563 42.059 0.138 0.000 1.296 1291 L HN 0.948 nan 8.230 nan 0.000 0.427 1292 S N 0.006 115.806 115.700 0.167 0.000 2.661 1292 S HA 0.656 5.129 4.470 0.004 0.000 0.268 1292 S C -0.852 173.775 174.600 0.044 0.000 1.162 1292 S CA -0.931 57.409 58.200 0.234 0.000 0.817 1292 S CB 1.623 65.023 63.200 0.333 0.000 1.141 1292 S HN 0.464 nan 8.310 nan 0.000 0.477 1293 V N -1.439 118.402 119.914 -0.121 0.000 2.612 1293 V HA 0.791 4.914 4.120 0.004 0.000 0.301 1293 V C -2.914 173.125 176.094 -0.092 0.000 1.046 1293 V CA -2.713 59.446 62.300 -0.234 0.000 0.946 1293 V CB 0.926 32.457 31.823 -0.486 0.000 1.003 1293 V HN 0.774 nan 8.190 nan 0.000 0.459 1294 P HA 0.420 nan 4.420 nan 0.000 0.271 1294 P C -0.760 176.566 177.300 0.043 0.000 1.216 1294 P CA 0.171 63.322 63.100 0.086 0.000 0.771 1294 P CB 0.752 32.471 31.700 0.030 0.000 0.864 1295 I N 2.940 123.562 120.570 0.086 0.000 2.447 1295 I HA 0.299 4.471 4.170 0.004 0.000 0.287 1295 I C 0.646 176.738 176.117 -0.041 0.000 1.023 1295 I CA -0.898 60.417 61.300 0.025 0.000 1.083 1295 I CB 2.099 40.146 38.000 0.078 0.000 1.245 1295 I HN 0.121 nan 8.210 nan 0.000 0.434 1296 K N 5.020 125.310 120.400 -0.184 0.000 2.154 1296 K HA 0.321 4.643 4.320 0.004 0.000 0.264 1296 K C -0.718 175.632 176.600 -0.417 0.000 1.008 1296 K CA -0.465 55.520 56.287 -0.503 0.000 0.937 1296 K CB 0.560 32.465 32.500 -0.992 0.000 1.002 1296 K HN 0.439 nan 8.250 nan 0.000 0.469 1297 Y N -1.171 119.151 120.300 0.036 0.000 3.589 1297 Y HA -0.259 4.293 4.550 0.004 0.000 0.218 1297 Y C 0.238 176.186 175.900 0.080 0.000 1.234 1297 Y CA -0.264 57.861 58.100 0.042 0.000 1.576 1297 Y CB -2.105 36.368 38.460 0.022 0.000 1.487 1297 Y HN 0.472 nan 8.280 nan 0.000 0.616 1298 L N 2.658 123.974 121.223 0.156 0.000 2.578 1298 L HA -0.068 4.274 4.340 0.004 0.000 0.279 1298 L C 1.527 178.575 176.870 0.296 0.000 1.227 1298 L CA 1.504 56.458 54.840 0.191 0.000 0.900 1298 L CB -0.160 41.961 42.059 0.102 0.000 1.144 1298 L HN 0.800 nan 8.230 nan 0.000 0.496 1299 H N 1.524 120.675 119.070 0.136 0.000 2.976 1299 H HA -0.152 4.406 4.556 0.004 0.000 0.273 1299 H C 0.095 175.511 175.328 0.146 0.000 1.259 1299 H CA 0.596 56.728 56.048 0.140 0.000 1.122 1299 H CB -0.936 28.897 29.762 0.118 0.000 1.298 1299 H HN 0.779 nan 8.280 nan 0.000 0.379 1300 S N -1.251 114.576 115.700 0.211 0.000 2.740 1300 S HA 0.374 4.846 4.470 0.004 0.000 0.300 1300 S C 0.889 175.543 174.600 0.091 0.000 1.147 1300 S CA -0.900 57.374 58.200 0.123 0.000 0.871 1300 S CB 2.154 65.412 63.200 0.096 0.000 1.173 1300 S HN 0.272 nan 8.310 nan 0.000 0.510 1301 E N -0.311 119.885 120.200 -0.006 0.000 2.472 1301 E HA 0.016 4.369 4.350 0.004 0.000 0.200 1301 E C 0.556 177.181 176.600 0.041 0.000 1.046 1301 E CA 0.607 57.011 56.400 0.007 0.000 0.871 1301 E CB -0.038 29.612 29.700 -0.083 0.000 0.806 1301 E HN 0.371 nan 8.360 nan 0.000 0.533 1302 V N 1.911 121.856 119.914 0.051 0.000 3.276 1302 V HA -0.026 4.096 4.120 0.004 0.000 0.319 1302 V C 0.314 176.518 176.094 0.183 0.000 1.427 1302 V CA -0.115 62.219 62.300 0.056 0.000 1.102 1302 V CB -0.095 31.697 31.823 -0.052 0.000 1.020 1302 V HN 0.237 nan 8.190 nan 0.000 0.456 1303 E N 0.596 120.907 120.200 0.186 0.000 2.452 1303 E HA 0.089 4.441 4.350 0.004 0.000 0.261 1303 E C -0.652 176.029 176.600 0.135 0.000 0.987 1303 E CA 0.355 56.876 56.400 0.202 0.000 0.926 1303 E CB 0.608 30.419 29.700 0.185 0.000 0.934 1303 E HN 0.205 nan 8.360 nan 0.000 0.452 1304 T N 4.334 118.945 114.554 0.094 0.000 2.879 1304 T HA 0.431 4.783 4.350 0.004 0.000 0.290 1304 T C -0.653 174.069 174.700 0.037 0.000 0.993 1304 T CA -0.831 61.302 62.100 0.055 0.000 0.975 1304 T CB 0.743 69.645 68.868 0.057 0.000 0.981 1304 T HN 0.513 nan 8.240 nan 0.000 0.439 1305 L N 0.279 121.539 121.223 0.061 0.000 2.319 1305 L HA 0.719 5.061 4.340 0.004 0.000 0.267 1305 L C -0.384 176.581 176.870 0.159 0.000 1.011 1305 L CA -0.936 53.940 54.840 0.061 0.000 0.818 1305 L CB 0.979 42.998 42.059 -0.068 0.000 1.316 1305 L HN 0.560 nan 8.230 nan 0.000 0.432 1306 H N 1.743 120.834 119.070 0.036 0.000 2.552 1306 H HA 0.398 4.957 4.556 0.004 0.000 0.311 1306 H C 0.601 175.840 175.328 -0.148 0.000 1.071 1306 H CA -0.151 55.830 56.048 -0.112 0.000 1.307 1306 H CB 1.602 31.279 29.762 -0.141 0.000 1.416 1306 H HN 0.854 nan 8.280 nan 0.000 0.464 1307 L N 3.661 124.826 121.223 -0.097 0.000 2.046 1307 L HA -0.244 4.099 4.340 0.004 0.000 0.208 1307 L C 1.990 178.901 176.870 0.068 0.000 1.077 1307 L CA 0.882 55.710 54.840 -0.020 0.000 0.747 1307 L CB -0.294 41.714 42.059 -0.086 0.000 0.896 1307 L HN 0.571 nan 8.230 nan 0.000 0.432 1308 N N 0.107 118.942 118.700 0.225 0.000 2.149 1308 N HA -0.195 4.547 4.740 0.004 0.000 0.188 1308 N C 1.420 176.913 175.510 -0.028 0.000 1.019 1308 N CA 1.455 54.553 53.050 0.080 0.000 0.857 1308 N CB -0.440 38.078 38.487 0.052 0.000 0.997 1308 N HN 0.337 nan 8.380 nan 0.000 0.426 1309 D N 0.425 120.798 120.400 -0.045 0.000 2.144 1309 D HA -0.110 4.533 4.640 0.004 0.000 0.199 1309 D C 2.006 178.247 176.300 -0.099 0.000 0.984 1309 D CA 0.368 54.300 54.000 -0.113 0.000 0.834 1309 D CB -0.347 40.374 40.800 -0.131 0.000 0.955 1309 D HN 0.140 nan 8.370 nan 0.000 0.465 1310 L N 1.189 122.365 121.223 -0.078 0.000 2.093 1310 L HA -0.101 4.242 4.340 0.004 0.000 0.208 1310 L C 2.027 178.876 176.870 -0.035 0.000 1.085 1310 L CA 1.724 56.526 54.840 -0.063 0.000 0.755 1310 L CB -0.604 41.435 42.059 -0.033 0.000 0.904 1310 L HN -0.016 nan 8.230 nan 0.000 0.435 1311 E N -0.326 119.854 120.200 -0.034 0.000 2.017 1311 E HA -0.269 4.083 4.350 0.004 0.000 0.193 1311 E C 2.122 178.689 176.600 -0.055 0.000 0.997 1311 E CA 1.550 57.928 56.400 -0.036 0.000 0.804 1311 E CB -0.067 29.615 29.700 -0.029 0.000 0.757 1311 E HN 0.494 nan 8.360 nan 0.000 0.448 1312 K N 0.242 120.600 120.400 -0.070 0.000 2.152 1312 K HA -0.181 4.141 4.320 0.004 0.000 0.206 1312 K C 2.213 178.758 176.600 -0.092 0.000 1.048 1312 K CA 1.048 57.282 56.287 -0.087 0.000 0.933 1312 K CB -0.204 32.232 32.500 -0.108 0.000 0.721 1312 K HN 0.158 nan 8.250 nan 0.000 0.447 1313 L N 0.753 121.927 121.223 -0.082 0.000 2.093 1313 L HA -0.137 4.205 4.340 0.004 0.000 0.208 1313 L C 1.914 178.731 176.870 -0.089 0.000 1.085 1313 L CA 1.442 56.238 54.840 -0.073 0.000 0.755 1313 L CB -0.198 41.843 42.059 -0.031 0.000 0.904 1313 L HN -0.113 nan 8.230 nan 0.000 0.435 1314 V N -0.103 119.764 119.914 -0.078 0.000 2.358 1314 V HA -0.277 3.846 4.120 0.004 0.000 0.246 1314 V C 2.572 178.591 176.094 -0.126 0.000 1.047 1314 V CA 2.037 64.274 62.300 -0.105 0.000 1.035 1314 V CB -0.741 31.033 31.823 -0.082 0.000 0.658 1314 V HN 0.462 nan 8.190 nan 0.000 0.452 1315 K N -0.113 120.229 120.400 -0.097 0.000 1.991 1315 K HA -0.236 4.086 4.320 0.004 0.000 0.212 1315 K C 2.161 178.699 176.600 -0.103 0.000 1.049 1315 K CA 1.794 58.030 56.287 -0.086 0.000 0.932 1315 K CB -0.624 31.835 32.500 -0.068 0.000 0.717 1315 K HN 0.270 nan 8.250 nan 0.000 0.441 1316 L N 1.859 123.013 121.223 -0.116 0.000 2.081 1316 L HA -0.182 4.161 4.340 0.004 0.000 0.212 1316 L C 1.966 178.731 176.870 -0.176 0.000 1.080 1316 L CA 1.602 56.364 54.840 -0.129 0.000 0.754 1316 L CB -0.292 41.689 42.059 -0.129 0.000 0.893 1316 L HN 0.202 nan 8.230 nan 0.000 0.433 1317 I N -0.952 119.475 120.570 -0.238 0.000 2.394 1317 I HA -0.246 3.927 4.170 0.004 0.000 0.251 1317 I C 2.278 178.167 176.117 -0.379 0.000 1.136 1317 I CA 1.148 62.203 61.300 -0.407 0.000 1.425 1317 I CB -0.324 37.349 38.000 -0.546 0.000 1.079 1317 I HN 0.384 nan 8.210 nan 0.000 0.425 1318 E N 1.061 121.098 120.200 -0.272 0.000 2.046 1318 E HA -0.129 4.223 4.350 0.004 0.000 0.190 1318 E C 2.415 178.872 176.600 -0.238 0.000 0.982 1318 E CA 1.095 57.316 56.400 -0.299 0.000 0.800 1318 E CB -0.150 29.444 29.700 -0.176 0.000 0.756 1318 E HN 0.459 nan 8.360 nan 0.000 0.449 1319 A N 1.151 123.937 122.820 -0.056 0.000 1.908 1319 A HA -0.202 4.120 4.320 0.004 0.000 0.218 1319 A C 2.095 179.683 177.584 0.006 0.000 1.181 1319 A CA 1.227 53.298 52.037 0.057 0.000 0.627 1319 A CB -0.510 18.495 19.000 0.008 0.000 0.818 1319 A HN 0.123 nan 8.150 nan 0.000 0.445 1320 L N -0.596 120.576 121.223 -0.085 0.000 2.093 1320 L HA -0.076 4.266 4.340 0.004 0.000 0.208 1320 L C 2.928 179.764 176.870 -0.057 0.000 1.085 1320 L CA 1.742 56.531 54.840 -0.085 0.000 0.755 1320 L CB -0.997 40.967 42.059 -0.158 0.000 0.904 1320 L HN 0.408 nan 8.230 nan 0.000 0.435 1321 A N -1.444 121.301 122.820 -0.125 0.000 1.930 1321 A HA -0.176 4.146 4.320 0.004 0.000 0.217 1321 A C 2.202 179.698 177.584 -0.148 0.000 1.175 1321 A CA 1.470 53.414 52.037 -0.154 0.000 0.627 1321 A CB -0.744 18.075 19.000 -0.301 0.000 0.815 1321 A HN 0.373 nan 8.150 nan 0.000 0.443 1322 F N -0.198 119.755 119.950 0.004 0.000 2.118 1322 F HA -0.042 4.488 4.527 0.004 0.000 0.293 1322 F C 2.514 178.323 175.800 0.014 0.000 1.102 1322 F CA 1.302 59.306 58.000 0.007 0.000 1.247 1322 F CB -0.023 38.964 39.000 -0.021 0.000 1.017 1322 F HN 0.224 nan 8.300 nan 0.000 0.475 1323 E N 0.096 120.413 120.200 0.195 0.000 2.415 1323 E HA 0.093 4.445 4.350 0.004 0.000 0.197 1323 E C 0.977 177.612 176.600 0.058 0.000 1.007 1323 E CA -0.091 56.377 56.400 0.113 0.000 0.890 1323 E CB 0.489 30.240 29.700 0.086 0.000 0.891 1323 E HN 0.316 nan 8.360 nan 0.000 0.496 1324 L N 0.000 121.236 121.223 0.021 0.000 2.949 1324 L HA 0.000 4.342 4.340 0.004 0.000 0.249 1324 L CA 0.000 54.811 54.840 -0.048 0.000 0.813 1324 L CB 0.000 41.961 42.059 -0.164 0.000 0.961 1324 L HN 0.000 nan 8.230 nan 0.000 0.502