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 3izl_1_C DATA FIRST_RESID 983 DATA SEQUENCE VLPENMKRYM GRDAQRMNIL AGRIIAETVR STLGPKGMDK MLVDDLGDVV DATA SEQUENCE VTNDGVTILR EMSVEHPAAK MLIEVAKTQE KEVGDGTTTA VVVAGELLRK DATA SEQUENCE AEELLDQNVH PTIVVKGYQA AAQKAQELLK TIACEVGAQD KEILTKIAMT DATA SEQUENCE SITGKGAEKA KEKLAEIIVE AVSAVVDDEG KVDKDLIKIE KKSGASIDDT DATA SEQUENCE ELIKGVLVDK ERVSAQMPKK VTDAKIALLN CAIEETASEM LKDMVAEIKA DATA SEQUENCE SGANVLFCQK GIDDLAQHYL AKEGIVAARR VKKSDMEKLA KATGANVIAA DATA SEQUENCE IAALSAQDLG DAGLVEERKI SGDSMIFVEE CKHPKAVTML IRGTTEHVIE DATA SEQUENCE EVARAVDDAV GVVGCTIEDG RIVSGGGSTE VELSMKLREY AEGISGREQL DATA SEQUENCE AVRAFADALE VIPRTLAENA GLDAIEILVK VRAAHASNGN KCAGLNVFTG DATA SEQUENCE AVEDMCENGV VEPLRVKTQA IQSAAESTEM LLRIDDVIAA E 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 983 V HA 0.000 nan 4.120 nan 0.000 0.244 983 V C 0.000 176.090 176.094 -0.006 0.000 1.182 983 V CA 0.000 62.296 62.300 -0.006 0.000 1.235 983 V CB 0.000 31.820 31.823 -0.006 0.000 1.184 984 L N 2.398 123.616 121.223 -0.008 0.000 2.325 984 L HA 0.580 4.920 4.340 0.000 0.000 0.279 984 L C -2.174 174.691 176.870 -0.008 0.000 1.054 984 L CA -1.552 53.283 54.840 -0.008 0.000 0.804 984 L CB 0.748 42.801 42.059 -0.010 0.000 1.200 984 L HN 0.140 nan 8.230 nan 0.000 0.436 985 P HA 0.020 nan 4.420 nan 0.000 0.266 985 P C -0.535 176.760 177.300 -0.009 0.000 1.195 985 P CA -0.256 62.840 63.100 -0.006 0.000 0.768 985 P CB 0.459 32.156 31.700 -0.005 0.000 0.838 986 E N 2.541 122.736 120.200 -0.009 0.000 2.376 986 E HA -0.040 4.310 4.350 0.000 0.000 0.266 986 E C 0.135 176.730 176.600 -0.009 0.000 1.009 986 E CA 0.093 56.487 56.400 -0.010 0.000 0.902 986 E CB 0.032 29.726 29.700 -0.009 0.000 0.972 986 E HN 0.374 nan 8.360 nan 0.000 0.439 987 N N 1.903 120.597 118.700 -0.010 0.000 2.996 987 N HA -0.189 4.552 4.740 0.000 0.000 0.164 987 N C -0.152 175.356 175.510 -0.004 0.000 1.350 987 N CA 0.737 53.783 53.050 -0.006 0.000 1.333 987 N CB -1.227 37.259 38.487 -0.002 0.000 1.033 987 N HN 0.590 nan 8.380 nan 0.000 0.627 988 M N 2.751 122.347 119.600 -0.007 0.000 2.249 988 M HA 0.063 4.544 4.480 0.000 0.000 0.340 988 M C 0.236 176.527 176.300 -0.015 0.000 1.166 988 M CA 0.481 55.777 55.300 -0.006 0.000 1.115 988 M CB 0.438 33.034 32.600 -0.007 0.000 1.606 988 M HN 0.108 nan 8.290 nan 0.000 0.448 989 K N 4.699 125.096 120.400 -0.003 0.000 2.259 989 K HA 0.685 5.005 4.320 0.000 0.000 0.249 989 K C -1.238 175.352 176.600 -0.017 0.000 0.942 989 K CA -1.053 55.220 56.287 -0.023 0.000 0.816 989 K CB 2.248 34.772 32.500 0.040 0.000 1.155 989 K HN 0.787 nan 8.250 nan 0.000 0.428 990 R N 2.257 122.682 120.500 -0.125 0.000 2.548 990 R HA 0.316 4.656 4.340 0.000 0.000 0.280 990 R C -1.813 174.338 176.300 -0.249 0.000 1.061 990 R CA -0.599 55.455 56.100 -0.076 0.000 0.915 990 R CB 1.327 31.592 30.300 -0.058 0.000 1.210 990 R HN 0.744 nan 8.270 nan 0.000 0.442 991 Y N 4.171 124.470 120.300 -0.001 0.000 2.485 991 Y HA 0.596 5.146 4.550 0.000 0.000 0.345 991 Y C 0.245 176.148 175.900 0.006 0.000 0.998 991 Y CA -0.861 57.244 58.100 0.008 0.000 1.059 991 Y CB 2.307 40.780 38.460 0.022 0.000 1.234 991 Y HN 0.426 nan 8.280 nan 0.000 0.461 992 M N 0.893 120.581 119.600 0.147 0.000 2.520 992 M HA 0.755 5.235 4.480 0.000 0.000 0.280 992 M C 0.018 176.357 176.300 0.065 0.000 1.232 992 M CA -0.215 55.132 55.300 0.079 0.000 0.892 992 M CB 1.272 33.893 32.600 0.036 0.000 1.728 992 M HN 0.874 nan 8.290 nan 0.000 0.475 993 G N 2.943 111.767 108.800 0.040 0.000 2.622 993 G HA2 -0.368 3.592 3.960 0.000 0.000 0.307 993 G HA3 -0.368 3.592 3.960 0.000 0.000 0.307 993 G C 0.614 175.531 174.900 0.029 0.000 1.226 993 G CA 1.195 46.308 45.100 0.021 0.000 0.997 993 G HN 1.169 nan 8.290 nan 0.000 0.551 994 R N 0.336 120.850 120.500 0.024 0.000 2.127 994 R HA -0.080 4.261 4.340 0.000 0.000 0.238 994 R C 2.126 178.453 176.300 0.046 0.000 1.134 994 R CA 2.217 58.332 56.100 0.024 0.000 0.975 994 R CB -0.391 29.919 30.300 0.017 0.000 0.865 994 R HN 0.613 nan 8.270 nan 0.000 0.447 995 D N -0.146 120.302 120.400 0.080 0.000 2.194 995 D HA -0.063 4.577 4.640 0.000 0.000 0.204 995 D C 1.669 178.056 176.300 0.145 0.000 0.964 995 D CA 1.202 55.285 54.000 0.139 0.000 0.846 995 D CB -0.024 40.905 40.800 0.215 0.000 0.962 995 D HN 0.360 nan 8.370 nan 0.000 0.490 996 A N 1.083 123.988 122.820 0.141 0.000 1.898 996 A HA -0.172 4.149 4.320 0.000 0.000 0.216 996 A C 2.143 179.755 177.584 0.047 0.000 1.181 996 A CA 1.124 53.225 52.037 0.108 0.000 0.620 996 A CB -0.276 18.789 19.000 0.110 0.000 0.819 996 A HN 0.062 nan 8.150 nan 0.000 0.442 997 Q N -0.890 118.931 119.800 0.035 0.000 2.123 997 Q HA -0.122 4.219 4.340 0.000 0.000 0.199 997 Q C 2.243 178.239 176.000 -0.006 0.000 0.966 997 Q CA 1.573 57.384 55.803 0.013 0.000 0.845 997 Q CB -0.318 28.424 28.738 0.007 0.000 0.907 997 Q HN 0.616 nan 8.270 nan 0.000 0.439 998 R N 1.128 121.626 120.500 -0.004 0.000 2.066 998 R HA -0.011 4.329 4.340 0.000 0.000 0.232 998 R C 2.152 178.417 176.300 -0.058 0.000 1.131 998 R CA 1.432 57.521 56.100 -0.020 0.000 0.955 998 R CB -0.586 29.713 30.300 -0.001 0.000 0.851 998 R HN 0.247 nan 8.270 nan 0.000 0.432 999 M N 0.304 119.861 119.600 -0.073 0.000 2.080 999 M HA -0.201 4.279 4.480 0.000 0.000 0.260 999 M C 1.064 177.235 176.300 -0.216 0.000 1.068 999 M CA 2.197 57.407 55.300 -0.150 0.000 1.109 999 M CB -0.264 32.167 32.600 -0.280 0.000 1.342 999 M HN 0.157 nan 8.290 nan 0.000 0.405 1000 N N 0.744 119.370 118.700 -0.123 0.000 2.120 1000 N HA -0.074 4.667 4.740 0.000 0.000 0.188 1000 N C 1.590 176.964 175.510 -0.227 0.000 1.024 1000 N CA 1.641 54.569 53.050 -0.203 0.000 0.852 1000 N CB -0.442 38.065 38.487 0.033 0.000 1.003 1000 N HN 0.442 nan 8.380 nan 0.000 0.424 1001 I N -0.073 120.423 120.570 -0.122 0.000 2.315 1001 I HA -0.184 3.986 4.170 0.000 0.000 0.248 1001 I C 1.987 178.034 176.117 -0.116 0.000 1.117 1001 I CA 0.438 61.684 61.300 -0.089 0.000 1.404 1001 I CB -0.103 37.871 38.000 -0.043 0.000 1.071 1001 I HN 0.111 nan 8.210 nan 0.000 0.419 1002 L N 1.291 122.431 121.223 -0.139 0.000 2.017 1002 L HA -0.150 4.190 4.340 0.000 0.000 0.208 1002 L C 2.583 179.352 176.870 -0.169 0.000 1.073 1002 L CA 2.166 56.928 54.840 -0.130 0.000 0.745 1002 L CB -0.793 41.196 42.059 -0.117 0.000 0.894 1002 L HN 0.179 nan 8.230 nan 0.000 0.432 1003 A N -0.508 122.134 122.820 -0.297 0.000 1.908 1003 A HA -0.099 4.221 4.320 0.000 0.000 0.218 1003 A C 2.339 179.808 177.584 -0.192 0.000 1.181 1003 A CA 1.677 53.521 52.037 -0.322 0.000 0.627 1003 A CB -1.626 16.924 19.000 -0.750 0.000 0.818 1003 A HN 0.541 nan 8.150 nan 0.000 0.445 1004 G N -0.716 107.977 108.800 -0.178 0.000 2.408 1004 G HA2 -0.218 3.743 3.960 0.000 0.000 0.217 1004 G HA3 -0.218 3.743 3.960 0.000 0.000 0.217 1004 G C 1.683 176.540 174.900 -0.072 0.000 1.150 1004 G CA 1.200 46.242 45.100 -0.096 0.000 0.776 1004 G HN 0.525 nan 8.290 nan 0.000 0.542 1005 R N 0.690 121.144 120.500 -0.077 0.000 2.081 1005 R HA 0.077 4.417 4.340 0.000 0.000 0.235 1005 R C 2.439 178.707 176.300 -0.053 0.000 1.131 1005 R CA 1.149 57.214 56.100 -0.058 0.000 0.960 1005 R CB -0.708 29.558 30.300 -0.055 0.000 0.856 1005 R HN 0.423 nan 8.270 nan 0.000 0.436 1006 I N 0.231 120.764 120.570 -0.062 0.000 2.208 1006 I HA -0.276 3.895 4.170 0.000 0.000 0.245 1006 I C 1.755 177.848 176.117 -0.040 0.000 1.097 1006 I CA 0.880 62.151 61.300 -0.049 0.000 1.363 1006 I CB -0.279 37.689 38.000 -0.052 0.000 1.051 1006 I HN 0.155 nan 8.210 nan 0.000 0.413 1007 I N 1.017 121.561 120.570 -0.043 0.000 2.226 1007 I HA -0.247 3.923 4.170 0.000 0.000 0.245 1007 I C 2.854 178.953 176.117 -0.030 0.000 1.100 1007 I CA 1.692 62.973 61.300 -0.032 0.000 1.374 1007 I CB -1.544 36.439 38.000 -0.029 0.000 1.057 1007 I HN 0.179 nan 8.210 nan 0.000 0.413 1008 A N 0.299 123.098 122.820 -0.034 0.000 1.933 1008 A HA -0.174 4.147 4.320 0.000 0.000 0.218 1008 A C 2.174 179.738 177.584 -0.033 0.000 1.175 1008 A CA 1.297 53.314 52.037 -0.034 0.000 0.628 1008 A CB -0.395 18.582 19.000 -0.037 0.000 0.814 1008 A HN 0.354 nan 8.150 nan 0.000 0.444 1009 E N -0.369 119.812 120.200 -0.033 0.000 2.106 1009 E HA -0.108 4.242 4.350 0.000 0.000 0.192 1009 E C 2.111 178.695 176.600 -0.027 0.000 0.984 1009 E CA 1.627 58.008 56.400 -0.030 0.000 0.806 1009 E CB -0.679 29.003 29.700 -0.030 0.000 0.750 1009 E HN 0.603 nan 8.360 nan 0.000 0.458 1010 T N 1.031 115.569 114.554 -0.026 0.000 2.777 1010 T HA -0.105 4.245 4.350 0.000 0.000 0.266 1010 T C 2.108 176.795 174.700 -0.022 0.000 1.040 1010 T CA 1.791 63.878 62.100 -0.022 0.000 1.141 1010 T CB -0.120 68.736 68.868 -0.019 0.000 0.868 1010 T HN 0.209 nan 8.240 nan 0.000 0.444 1011 V N 1.437 121.337 119.914 -0.023 0.000 2.992 1011 V HA 0.133 4.254 4.120 0.000 0.000 0.250 1011 V C 2.320 178.399 176.094 -0.026 0.000 1.090 1011 V CA 0.788 63.074 62.300 -0.022 0.000 1.101 1011 V CB -0.774 31.037 31.823 -0.020 0.000 0.743 1011 V HN 0.436 nan 8.190 nan 0.000 0.468 1012 R N 2.873 123.355 120.500 -0.030 0.000 2.249 1012 R HA -0.096 4.244 4.340 0.000 0.000 0.230 1012 R C 1.920 178.199 176.300 -0.035 0.000 1.121 1012 R CA 1.804 57.883 56.100 -0.034 0.000 0.997 1012 R CB -1.038 29.240 30.300 -0.037 0.000 0.867 1012 R HN 0.687 nan 8.270 nan 0.000 0.465 1013 S N -0.126 115.555 115.700 -0.032 0.000 2.603 1013 S HA -0.039 4.431 4.470 0.000 0.000 0.220 1013 S C 1.562 176.142 174.600 -0.033 0.000 0.967 1013 S CA 0.465 58.645 58.200 -0.033 0.000 0.920 1013 S CB 0.305 63.487 63.200 -0.029 0.000 0.773 1013 S HN 0.551 nan 8.310 nan 0.000 0.529 1014 T N -0.996 113.540 114.554 -0.031 0.000 3.022 1014 T HA 0.324 4.675 4.350 0.000 0.000 0.250 1014 T C 0.380 175.060 174.700 -0.033 0.000 1.060 1014 T CA -0.476 61.606 62.100 -0.029 0.000 1.013 1014 T CB -0.468 68.387 68.868 -0.021 0.000 0.982 1014 T HN 0.267 nan 8.240 nan 0.000 0.508 1015 L N 3.011 124.212 121.223 -0.037 0.000 2.534 1015 L HA 0.501 4.841 4.340 0.000 0.000 0.271 1015 L C 0.726 177.565 176.870 -0.051 0.000 1.178 1015 L CA 1.628 56.445 54.840 -0.039 0.000 0.907 1015 L CB -0.842 41.192 42.059 -0.042 0.000 1.164 1015 L HN 0.719 nan 8.230 nan 0.000 0.482 1016 G N 4.129 112.901 108.800 -0.047 0.000 2.663 1016 G HA2 -0.155 3.805 3.960 0.000 0.000 0.686 1016 G HA3 -0.155 3.805 3.960 0.000 0.000 0.686 1016 G C -2.003 172.850 174.900 -0.078 0.000 1.288 1016 G CA -0.463 44.598 45.100 -0.065 0.000 0.836 1016 G HN 0.484 nan 8.290 nan 0.000 0.584 1017 P HA -0.008 nan 4.420 nan 0.000 0.218 1017 P C 1.419 178.616 177.300 -0.172 0.000 1.148 1017 P CA 1.460 64.477 63.100 -0.139 0.000 0.822 1017 P CB 0.055 31.550 31.700 -0.342 0.000 0.784 1018 K N -0.682 119.591 120.400 -0.213 0.000 2.446 1018 K HA 0.256 4.577 4.320 0.000 0.000 0.203 1018 K C 0.911 177.452 176.600 -0.098 0.000 1.027 1018 K CA -0.207 55.981 56.287 -0.165 0.000 1.166 1018 K CB -0.352 32.030 32.500 -0.198 0.000 0.869 1018 K HN 0.032 nan 8.250 nan 0.000 0.504 1019 G N 0.404 109.157 108.800 -0.078 0.000 2.569 1019 G HA2 0.221 4.181 3.960 0.000 0.000 0.249 1019 G HA3 0.221 4.181 3.960 0.000 0.000 0.249 1019 G C -0.053 174.823 174.900 -0.040 0.000 1.216 1019 G CA -0.456 44.611 45.100 -0.054 0.000 0.845 1019 G HN -0.014 nan 8.290 nan 0.000 0.568 1020 M N 0.201 119.780 119.600 -0.034 0.000 2.649 1020 M HA 0.381 4.861 4.480 0.000 0.000 0.294 1020 M C -0.634 175.653 176.300 -0.022 0.000 1.206 1020 M CA -0.720 54.564 55.300 -0.027 0.000 0.928 1020 M CB 1.447 34.031 32.600 -0.027 0.000 1.571 1020 M HN 0.328 nan 8.290 nan 0.000 0.501 1021 D N 0.634 121.023 120.400 -0.020 0.000 2.181 1021 D HA 0.492 5.132 4.640 0.000 0.000 0.248 1021 D C -0.653 175.635 176.300 -0.019 0.000 1.020 1021 D CA -0.302 53.688 54.000 -0.018 0.000 0.891 1021 D CB 1.215 42.004 40.800 -0.017 0.000 1.187 1021 D HN 0.146 nan 8.370 nan 0.000 0.443 1022 K N 0.467 120.857 120.400 -0.017 0.000 2.166 1022 K HA 0.562 4.882 4.320 0.000 0.000 0.245 1022 K C -0.471 176.118 176.600 -0.019 0.000 0.967 1022 K CA -0.570 55.707 56.287 -0.017 0.000 0.863 1022 K CB 1.836 34.327 32.500 -0.015 0.000 1.107 1022 K HN 0.324 nan 8.250 nan 0.000 0.436 1023 M N 3.480 123.069 119.600 -0.019 0.000 2.190 1023 M HA 0.412 4.892 4.480 0.000 0.000 0.312 1023 M C -1.722 174.570 176.300 -0.014 0.000 0.990 1023 M CA -0.597 54.691 55.300 -0.020 0.000 0.927 1023 M CB 0.640 33.224 32.600 -0.026 0.000 1.571 1023 M HN 0.409 nan 8.290 nan 0.000 0.427 1024 L N 6.082 127.300 121.223 -0.010 0.000 2.298 1024 L HA 0.609 4.950 4.340 0.000 0.000 0.284 1024 L C -1.069 175.800 176.870 -0.002 0.000 1.013 1024 L CA -0.933 53.904 54.840 -0.005 0.000 0.824 1024 L CB 1.722 43.780 42.059 -0.002 0.000 1.221 1024 L HN 0.423 nan 8.230 nan 0.000 0.418 1025 V N 2.155 122.068 119.914 -0.002 0.000 2.384 1025 V HA 0.228 4.349 4.120 0.000 0.000 0.287 1025 V C -0.189 175.907 176.094 0.003 0.000 1.020 1025 V CA -0.817 61.484 62.300 0.000 0.000 0.850 1025 V CB 1.684 33.506 31.823 -0.002 0.000 0.987 1025 V HN 0.786 nan 8.190 nan 0.000 0.436 1026 D N 2.382 122.785 120.400 0.005 0.000 2.440 1026 D HA 0.101 4.742 4.640 0.000 0.000 0.269 1026 D C 0.564 176.868 176.300 0.005 0.000 1.249 1026 D CA -0.541 53.463 54.000 0.005 0.000 1.055 1026 D CB 0.611 41.415 40.800 0.007 0.000 1.104 1026 D HN 0.410 nan 8.370 nan 0.000 0.561 1027 D N -1.340 119.063 120.400 0.005 0.000 2.310 1027 D HA -0.015 4.625 4.640 0.000 0.000 0.212 1027 D C 1.389 177.693 176.300 0.005 0.000 0.965 1027 D CA 0.756 54.760 54.000 0.005 0.000 0.879 1027 D CB -0.059 40.744 40.800 0.005 0.000 0.921 1027 D HN 0.289 nan 8.370 nan 0.000 0.510 1028 L N -1.476 119.751 121.223 0.006 0.000 2.554 1028 L HA 0.291 4.632 4.340 0.000 0.000 0.225 1028 L C 1.630 178.505 176.870 0.008 0.000 1.104 1028 L CA 0.405 55.249 54.840 0.007 0.000 0.866 1028 L CB 0.265 42.329 42.059 0.008 0.000 1.047 1028 L HN 0.221 nan 8.230 nan 0.000 0.468 1029 G N -0.258 108.546 108.800 0.008 0.000 2.195 1029 G HA2 -0.250 3.711 3.960 0.000 0.000 0.224 1029 G HA3 -0.250 3.711 3.960 0.000 0.000 0.224 1029 G C 0.074 174.981 174.900 0.012 0.000 0.990 1029 G CA -0.034 45.071 45.100 0.008 0.000 0.639 1029 G HN 0.314 nan 8.290 nan 0.000 0.514 1030 D N 1.010 121.418 120.400 0.014 0.000 2.458 1030 D HA 0.378 5.018 4.640 0.000 0.000 0.243 1030 D C 0.481 176.792 176.300 0.019 0.000 1.146 1030 D CA 0.261 54.273 54.000 0.020 0.000 0.877 1030 D CB 1.190 42.001 40.800 0.019 0.000 1.176 1030 D HN 0.237 nan 8.370 nan 0.000 0.461 1031 V N 4.728 124.658 119.914 0.026 0.000 2.370 1031 V HA 0.289 4.409 4.120 0.000 0.000 0.283 1031 V C 0.112 176.221 176.094 0.024 0.000 1.023 1031 V CA -0.813 61.496 62.300 0.015 0.000 0.857 1031 V CB 1.647 33.470 31.823 -0.000 0.000 0.985 1031 V HN 0.340 nan 8.190 nan 0.000 0.443 1032 V N 6.013 125.934 119.914 0.012 0.000 2.378 1032 V HA 0.446 4.566 4.120 0.000 0.000 0.288 1032 V C -0.210 175.883 176.094 -0.000 0.000 1.016 1032 V CA -0.545 61.765 62.300 0.016 0.000 0.840 1032 V CB 1.877 33.710 31.823 0.016 0.000 0.994 1032 V HN 0.601 nan 8.190 nan 0.000 0.431 1033 V N 4.516 124.429 119.914 -0.003 0.000 2.384 1033 V HA 0.788 4.908 4.120 0.000 0.000 0.287 1033 V C 0.091 176.184 176.094 -0.002 0.000 1.020 1033 V CA 0.032 62.321 62.300 -0.019 0.000 0.850 1033 V CB 1.609 33.400 31.823 -0.054 0.000 0.987 1033 V HN 0.987 nan 8.190 nan 0.000 0.436 1034 T N 2.985 117.537 114.554 -0.004 0.000 2.718 1034 T HA 0.376 4.726 4.350 0.000 0.000 0.306 1034 T C -0.280 174.418 174.700 -0.004 0.000 1.485 1034 T CA -0.062 62.038 62.100 0.001 0.000 0.997 1034 T CB 1.703 70.575 68.868 0.006 0.000 1.504 1034 T HN 0.788 nan 8.240 nan 0.000 0.497 1035 N N 0.213 118.911 118.700 -0.002 0.000 2.143 1035 N HA 0.235 4.975 4.740 0.000 0.000 0.222 1035 N C -0.627 174.880 175.510 -0.005 0.000 1.264 1035 N CA -0.396 52.650 53.050 -0.006 0.000 0.897 1035 N CB 0.342 38.824 38.487 -0.007 0.000 1.092 1035 N HN 0.514 nan 8.380 nan 0.000 0.516 1036 D N -0.432 119.967 120.400 -0.001 0.000 2.348 1036 D HA 0.371 5.012 4.640 0.000 0.000 0.253 1036 D C 1.466 177.764 176.300 -0.003 0.000 1.161 1036 D CA -0.041 53.959 54.000 -0.001 0.000 0.876 1036 D CB 1.137 41.939 40.800 0.003 0.000 1.160 1036 D HN 0.234 nan 8.370 nan 0.000 0.459 1037 G N 2.361 111.158 108.800 -0.004 0.000 2.418 1037 G HA2 -0.211 3.749 3.960 0.000 0.000 0.217 1037 G HA3 -0.211 3.749 3.960 0.000 0.000 0.217 1037 G C 1.463 176.362 174.900 -0.003 0.000 1.158 1037 G CA 0.611 45.707 45.100 -0.006 0.000 0.771 1037 G HN 0.476 nan 8.290 nan 0.000 0.545 1038 V N 0.848 120.762 119.914 -0.001 0.000 2.307 1038 V HA -0.161 3.959 4.120 0.000 0.000 0.245 1038 V C 3.172 179.268 176.094 0.002 0.000 1.045 1038 V CA 2.355 64.656 62.300 0.001 0.000 1.024 1038 V CB -0.871 30.954 31.823 0.003 0.000 0.651 1038 V HN 0.385 nan 8.190 nan 0.000 0.449 1039 T N 0.427 114.983 114.554 0.003 0.000 2.684 1039 T HA -0.185 4.165 4.350 0.000 0.000 0.267 1039 T C 1.814 176.516 174.700 0.003 0.000 1.036 1039 T CA 1.986 64.089 62.100 0.004 0.000 1.148 1039 T CB -0.325 68.546 68.868 0.006 0.000 0.863 1039 T HN 0.330 nan 8.240 nan 0.000 0.436 1040 I N 0.343 120.914 120.570 0.001 0.000 2.226 1040 I HA -0.148 4.023 4.170 0.000 0.000 0.245 1040 I C 2.079 178.196 176.117 -0.001 0.000 1.100 1040 I CA 0.978 62.277 61.300 -0.001 0.000 1.374 1040 I CB -0.280 37.718 38.000 -0.005 0.000 1.057 1040 I HN 0.160 nan 8.210 nan 0.000 0.413 1041 L N 0.134 121.357 121.223 -0.000 0.000 2.156 1041 L HA -0.086 4.254 4.340 0.000 0.000 0.208 1041 L C 2.468 179.340 176.870 0.004 0.000 1.095 1041 L CA 1.470 56.310 54.840 0.001 0.000 0.770 1041 L CB -0.973 41.086 42.059 0.001 0.000 0.914 1041 L HN 0.157 nan 8.230 nan 0.000 0.439 1042 R N -0.124 120.378 120.500 0.004 0.000 2.073 1042 R HA -0.094 4.246 4.340 0.000 0.000 0.229 1042 R C 1.857 178.160 176.300 0.005 0.000 1.120 1042 R CA 1.149 57.252 56.100 0.005 0.000 0.967 1042 R CB 0.104 30.408 30.300 0.005 0.000 0.862 1042 R HN 0.312 nan 8.270 nan 0.000 0.436 1043 E N 0.264 120.467 120.200 0.005 0.000 2.112 1043 E HA -0.003 4.347 4.350 0.000 0.000 0.190 1043 E C 0.802 177.405 176.600 0.005 0.000 0.979 1043 E CA 0.456 56.859 56.400 0.005 0.000 0.814 1043 E CB -0.055 29.648 29.700 0.005 0.000 0.762 1043 E HN 0.324 nan 8.360 nan 0.000 0.460 1044 M N 0.483 120.085 119.600 0.004 0.000 2.243 1044 M HA 0.047 4.528 4.480 0.000 0.000 0.341 1044 M C 0.442 176.745 176.300 0.006 0.000 1.130 1044 M CA 0.110 55.412 55.300 0.003 0.000 1.162 1044 M CB 0.999 33.600 32.600 0.001 0.000 1.497 1044 M HN -0.235 nan 8.290 nan 0.000 0.456 1045 S N 3.187 118.891 115.700 0.006 0.000 2.488 1045 S HA 0.476 4.947 4.470 0.000 0.000 0.310 1045 S C -0.529 174.078 174.600 0.011 0.000 1.093 1045 S CA -0.965 57.240 58.200 0.009 0.000 1.129 1045 S CB -0.058 63.147 63.200 0.008 0.000 0.989 1045 S HN 0.509 nan 8.310 nan 0.000 0.479 1046 V N 3.036 122.959 119.914 0.015 0.000 3.036 1046 V HA 0.615 4.735 4.120 0.000 0.000 0.308 1046 V C 0.720 176.831 176.094 0.028 0.000 1.070 1046 V CA -0.163 62.151 62.300 0.023 0.000 1.056 1046 V CB 1.145 32.984 31.823 0.027 0.000 1.084 1046 V HN 0.840 nan 8.190 nan 0.000 0.471 1047 E N -0.498 119.726 120.200 0.040 0.000 2.228 1047 E HA 0.102 4.452 4.350 0.000 0.000 0.197 1047 E C 0.405 177.029 176.600 0.041 0.000 0.909 1047 E CA -0.092 56.328 56.400 0.034 0.000 0.911 1047 E CB 0.080 29.798 29.700 0.030 0.000 0.887 1047 E HN 0.824 nan 8.360 nan 0.000 0.481 1048 H N 1.914 120.970 119.070 -0.023 0.000 2.764 1048 H HA 0.031 4.587 4.556 0.000 0.000 0.341 1048 H C -1.874 173.440 175.328 -0.024 0.000 1.072 1048 H CA -1.515 54.513 56.048 -0.034 0.000 1.444 1048 H CB 1.389 31.119 29.762 -0.054 0.000 1.458 1048 H HN -0.120 nan 8.280 nan 0.000 0.572 1049 P HA -0.135 nan 4.420 nan 0.000 0.216 1049 P C 1.087 178.491 177.300 0.174 0.000 1.150 1049 P CA 2.038 65.161 63.100 0.038 0.000 0.837 1049 P CB 0.103 31.763 31.700 -0.067 0.000 0.786 1050 A N -0.027 123.055 122.820 0.437 0.000 1.902 1050 A HA -0.103 4.218 4.320 0.000 0.000 0.217 1050 A C 2.318 179.947 177.584 0.075 0.000 1.181 1050 A CA 2.042 54.192 52.037 0.188 0.000 0.623 1050 A CB -1.554 17.463 19.000 0.029 0.000 0.818 1050 A HN 0.198 nan 8.150 nan 0.000 0.443 1051 A N -0.261 122.604 122.820 0.075 0.000 1.930 1051 A HA -0.153 4.167 4.320 0.000 0.000 0.217 1051 A C 2.121 179.727 177.584 0.037 0.000 1.175 1051 A CA 1.945 53.999 52.037 0.028 0.000 0.627 1051 A CB -0.439 18.575 19.000 0.023 0.000 0.815 1051 A HN 0.554 nan 8.150 nan 0.000 0.443 1052 K N -0.833 119.600 120.400 0.056 0.000 2.097 1052 K HA -0.092 4.229 4.320 0.000 0.000 0.206 1052 K C 1.996 178.615 176.600 0.032 0.000 1.049 1052 K CA 1.615 57.924 56.287 0.037 0.000 0.933 1052 K CB -0.233 32.287 32.500 0.034 0.000 0.717 1052 K HN 0.519 nan 8.250 nan 0.000 0.442 1053 M N 0.135 119.758 119.600 0.039 0.000 2.200 1053 M HA -0.134 4.347 4.480 0.000 0.000 0.265 1053 M C 1.844 178.158 176.300 0.023 0.000 1.066 1053 M CA 0.936 56.255 55.300 0.031 0.000 1.127 1053 M CB -0.085 32.538 32.600 0.038 0.000 1.379 1053 M HN 0.095 nan 8.290 nan 0.000 0.420 1054 L N 0.309 121.544 121.223 0.019 0.000 2.131 1054 L HA -0.129 4.212 4.340 0.000 0.000 0.210 1054 L C 2.152 179.027 176.870 0.008 0.000 1.092 1054 L CA 1.666 56.512 54.840 0.010 0.000 0.759 1054 L CB -0.655 41.404 42.059 0.001 0.000 0.903 1054 L HN 0.260 nan 8.230 nan 0.000 0.435 1055 I N -0.902 119.675 120.570 0.010 0.000 2.226 1055 I HA -0.295 3.875 4.170 0.000 0.000 0.245 1055 I C 2.269 178.392 176.117 0.009 0.000 1.100 1055 I CA 1.257 62.562 61.300 0.009 0.000 1.374 1055 I CB -0.251 37.755 38.000 0.011 0.000 1.057 1055 I HN 0.316 nan 8.210 nan 0.000 0.413 1056 E N 0.159 120.366 120.200 0.012 0.000 2.106 1056 E HA -0.145 4.205 4.350 0.000 0.000 0.192 1056 E C 2.317 178.924 176.600 0.011 0.000 0.984 1056 E CA 1.004 57.411 56.400 0.012 0.000 0.806 1056 E CB 0.032 29.740 29.700 0.014 0.000 0.750 1056 E HN 0.279 nan 8.360 nan 0.000 0.458 1057 V N 1.354 121.275 119.914 0.012 0.000 2.358 1057 V HA -0.260 3.860 4.120 0.000 0.000 0.246 1057 V C 2.319 178.418 176.094 0.009 0.000 1.047 1057 V CA 1.833 64.141 62.300 0.012 0.000 1.035 1057 V CB -0.642 31.190 31.823 0.014 0.000 0.658 1057 V HN 0.319 nan 8.190 nan 0.000 0.452 1058 A N -0.322 122.502 122.820 0.007 0.000 1.933 1058 A HA -0.240 4.080 4.320 0.000 0.000 0.218 1058 A C 2.280 179.867 177.584 0.005 0.000 1.175 1058 A CA 1.940 53.980 52.037 0.004 0.000 0.628 1058 A CB -0.411 18.590 19.000 0.002 0.000 0.814 1058 A HN 0.555 nan 8.150 nan 0.000 0.444 1059 K N -0.958 119.445 120.400 0.006 0.000 2.097 1059 K HA -0.074 4.247 4.320 0.000 0.000 0.205 1059 K C 2.029 178.633 176.600 0.006 0.000 1.050 1059 K CA 1.663 57.954 56.287 0.006 0.000 0.938 1059 K CB -0.307 32.197 32.500 0.007 0.000 0.718 1059 K HN 0.456 nan 8.250 nan 0.000 0.442 1060 T N 0.946 115.504 114.554 0.008 0.000 2.821 1060 T HA -0.170 4.181 4.350 0.000 0.000 0.267 1060 T C 1.819 176.523 174.700 0.008 0.000 1.046 1060 T CA 1.282 63.387 62.100 0.008 0.000 1.139 1060 T CB -0.127 68.747 68.868 0.010 0.000 0.871 1060 T HN 0.168 nan 8.240 nan 0.000 0.454 1061 Q N 1.233 121.037 119.800 0.007 0.000 2.124 1061 Q HA -0.133 4.208 4.340 0.000 0.000 0.202 1061 Q C 2.112 178.115 176.000 0.006 0.000 0.977 1061 Q CA 1.710 57.517 55.803 0.007 0.000 0.850 1061 Q CB -0.272 28.469 28.738 0.005 0.000 0.901 1061 Q HN 0.463 nan 8.270 nan 0.000 0.429 1062 E N 0.117 120.320 120.200 0.005 0.000 2.072 1062 E HA -0.133 4.217 4.350 0.000 0.000 0.191 1062 E C 1.568 178.171 176.600 0.005 0.000 0.985 1062 E CA 1.524 57.927 56.400 0.005 0.000 0.801 1062 E CB -0.016 29.687 29.700 0.004 0.000 0.750 1062 E HN 0.362 nan 8.360 nan 0.000 0.452 1063 K N -0.071 120.332 120.400 0.005 0.000 2.097 1063 K HA -0.107 4.213 4.320 0.000 0.000 0.205 1063 K C 2.070 178.673 176.600 0.005 0.000 1.050 1063 K CA 1.345 57.635 56.287 0.005 0.000 0.938 1063 K CB 0.019 32.522 32.500 0.005 0.000 0.718 1063 K HN 0.107 nan 8.250 nan 0.000 0.442 1064 E N -0.001 120.202 120.200 0.006 0.000 2.030 1064 E HA -0.053 4.297 4.350 0.000 0.000 0.189 1064 E C 2.129 178.733 176.600 0.007 0.000 0.974 1064 E CA 1.028 57.432 56.400 0.007 0.000 0.807 1064 E CB 0.061 29.766 29.700 0.008 0.000 0.771 1064 E HN 0.031 nan 8.360 nan 0.000 0.451 1065 V N -1.081 118.837 119.914 0.007 0.000 3.048 1065 V HA 0.237 4.357 4.120 0.000 0.000 0.241 1065 V C 1.630 177.728 176.094 0.006 0.000 1.129 1065 V CA 1.032 63.336 62.300 0.007 0.000 1.128 1065 V CB 0.493 32.320 31.823 0.007 0.000 0.849 1065 V HN 0.474 nan 8.190 nan 0.000 0.475 1066 G N 0.172 108.975 108.800 0.006 0.000 4.165 1066 G HA2 -0.248 3.712 3.960 0.000 0.000 0.211 1066 G HA3 -0.248 3.712 3.960 0.000 0.000 0.211 1066 G C 0.222 175.125 174.900 0.005 0.000 1.469 1066 G CA 0.332 45.435 45.100 0.006 0.000 0.964 1066 G HN 0.438 nan 8.290 nan 0.000 0.613 1067 D N 1.098 121.501 120.400 0.006 0.000 2.506 1067 D HA 0.492 5.132 4.640 0.000 0.000 0.272 1067 D C 1.506 177.808 176.300 0.003 0.000 1.214 1067 D CA 1.182 55.185 54.000 0.005 0.000 1.067 1067 D CB 0.707 41.511 40.800 0.008 0.000 1.117 1067 D HN 1.631 nan 8.370 nan 0.000 0.578 1068 G N -0.525 108.276 108.800 0.001 0.000 2.143 1068 G HA2 -0.318 3.643 3.960 0.000 0.000 0.249 1068 G HA3 -0.318 3.643 3.960 0.000 0.000 0.249 1068 G C 1.034 175.931 174.900 -0.006 0.000 0.981 1068 G CA 1.489 46.587 45.100 -0.003 0.000 0.665 1068 G HN 0.603 nan 8.290 nan 0.000 0.528 1069 T N -2.428 112.123 114.554 -0.005 0.000 2.612 1069 T HA -0.086 4.264 4.350 0.000 0.000 0.259 1069 T C 2.203 176.897 174.700 -0.011 0.000 1.065 1069 T CA 2.494 64.590 62.100 -0.006 0.000 1.167 1069 T CB -0.908 67.957 68.868 -0.003 0.000 0.863 1069 T HN 0.292 nan 8.240 nan 0.000 0.407 1070 T N 1.920 116.466 114.554 -0.013 0.000 2.720 1070 T HA -0.124 4.226 4.350 0.000 0.000 0.268 1070 T C 2.233 176.917 174.700 -0.025 0.000 1.037 1070 T CA 1.939 64.028 62.100 -0.019 0.000 1.144 1070 T CB -1.107 67.749 68.868 -0.020 0.000 0.864 1070 T HN 0.556 nan 8.240 nan 0.000 0.444 1071 T N 2.020 116.559 114.554 -0.025 0.000 2.652 1071 T HA -0.097 4.253 4.350 0.000 0.000 0.267 1071 T C 2.398 177.076 174.700 -0.037 0.000 1.039 1071 T CA 1.351 63.431 62.100 -0.033 0.000 1.153 1071 T CB -0.630 68.221 68.868 -0.028 0.000 0.863 1071 T HN 0.462 nan 8.240 nan 0.000 0.428 1072 A N 0.771 123.574 122.820 -0.027 0.000 1.933 1072 A HA -0.032 4.288 4.320 0.000 0.000 0.218 1072 A C 2.587 180.154 177.584 -0.028 0.000 1.175 1072 A CA 1.279 53.301 52.037 -0.026 0.000 0.628 1072 A CB -0.928 18.065 19.000 -0.012 0.000 0.814 1072 A HN 0.366 nan 8.150 nan 0.000 0.444 1073 V N -0.530 119.369 119.914 -0.025 0.000 2.358 1073 V HA -0.202 3.918 4.120 0.000 0.000 0.246 1073 V C 2.549 178.622 176.094 -0.036 0.000 1.047 1073 V CA 1.883 64.168 62.300 -0.025 0.000 1.035 1073 V CB -0.648 31.162 31.823 -0.022 0.000 0.658 1073 V HN 0.370 nan 8.190 nan 0.000 0.452 1074 V N -0.339 119.550 119.914 -0.042 0.000 2.358 1074 V HA -0.200 3.921 4.120 0.000 0.000 0.246 1074 V C 2.420 178.473 176.094 -0.068 0.000 1.047 1074 V CA 1.784 64.053 62.300 -0.052 0.000 1.035 1074 V CB -0.296 31.496 31.823 -0.052 0.000 0.658 1074 V HN 0.402 nan 8.190 nan 0.000 0.452 1075 V N 0.360 120.227 119.914 -0.078 0.000 2.295 1075 V HA -0.255 3.865 4.120 0.000 0.000 0.246 1075 V C 2.703 178.733 176.094 -0.107 0.000 1.049 1075 V CA 2.062 64.293 62.300 -0.116 0.000 1.024 1075 V CB -1.111 30.638 31.823 -0.124 0.000 0.648 1075 V HN 0.561 nan 8.190 nan 0.000 0.447 1076 A N 0.408 123.190 122.820 -0.064 0.000 1.933 1076 A HA -0.070 4.250 4.320 0.000 0.000 0.218 1076 A C 2.397 179.965 177.584 -0.026 0.000 1.175 1076 A CA 1.868 53.885 52.037 -0.033 0.000 0.628 1076 A CB -1.126 17.867 19.000 -0.011 0.000 0.814 1076 A HN 0.531 nan 8.150 nan 0.000 0.444 1077 G N -0.471 108.307 108.800 -0.037 0.000 2.421 1077 G HA2 -0.232 3.728 3.960 0.000 0.000 0.216 1077 G HA3 -0.232 3.728 3.960 0.000 0.000 0.216 1077 G C 1.468 176.348 174.900 -0.034 0.000 1.171 1077 G CA 1.263 46.342 45.100 -0.034 0.000 0.775 1077 G HN 0.570 nan 8.290 nan 0.000 0.543 1078 E N -0.266 119.901 120.200 -0.055 0.000 2.150 1078 E HA -0.013 4.337 4.350 0.000 0.000 0.193 1078 E C 2.343 178.912 176.600 -0.052 0.000 0.985 1078 E CA 0.297 56.660 56.400 -0.062 0.000 0.814 1078 E CB -0.257 29.385 29.700 -0.096 0.000 0.752 1078 E HN 0.243 nan 8.360 nan 0.000 0.466 1079 L N 0.142 121.326 121.223 -0.066 0.000 2.046 1079 L HA -0.119 4.221 4.340 0.000 0.000 0.208 1079 L C 2.178 179.119 176.870 0.119 0.000 1.077 1079 L CA 1.532 56.353 54.840 -0.030 0.000 0.747 1079 L CB -0.649 41.375 42.059 -0.058 0.000 0.896 1079 L HN 0.279 nan 8.230 nan 0.000 0.432 1080 L N -1.628 119.641 121.223 0.077 0.000 2.156 1080 L HA -0.159 4.181 4.340 0.000 0.000 0.208 1080 L C 2.658 179.560 176.870 0.053 0.000 1.095 1080 L CA 0.604 55.491 54.840 0.078 0.000 0.770 1080 L CB -0.362 41.718 42.059 0.035 0.000 0.914 1080 L HN 0.198 nan 8.230 nan 0.000 0.439 1081 R N 0.838 121.355 120.500 0.029 0.000 2.073 1081 R HA -0.171 4.169 4.340 0.000 0.000 0.234 1081 R C 2.161 178.483 176.300 0.036 0.000 1.134 1081 R CA 1.572 57.682 56.100 0.017 0.000 0.952 1081 R CB -0.112 30.185 30.300 -0.004 0.000 0.850 1081 R HN -0.020 nan 8.270 nan 0.000 0.433 1082 K N -0.143 120.291 120.400 0.057 0.000 2.057 1082 K HA 0.082 4.402 4.320 0.000 0.000 0.206 1082 K C 1.865 178.540 176.600 0.124 0.000 1.050 1082 K CA 1.592 57.932 56.287 0.088 0.000 0.935 1082 K CB -0.441 32.121 32.500 0.104 0.000 0.715 1082 K HN 0.299 nan 8.250 nan 0.000 0.439 1083 A N 0.525 123.448 122.820 0.171 0.000 1.933 1083 A HA -0.203 4.118 4.320 0.000 0.000 0.218 1083 A C 2.091 179.700 177.584 0.042 0.000 1.175 1083 A CA 1.800 53.908 52.037 0.119 0.000 0.628 1083 A CB -0.477 18.615 19.000 0.152 0.000 0.814 1083 A HN 0.452 nan 8.150 nan 0.000 0.444 1084 E N -0.335 119.890 120.200 0.041 0.000 2.153 1084 E HA -0.198 4.153 4.350 0.000 0.000 0.194 1084 E C 1.647 178.255 176.600 0.013 0.000 0.988 1084 E CA 1.055 57.465 56.400 0.017 0.000 0.811 1084 E CB -0.016 29.692 29.700 0.013 0.000 0.746 1084 E HN 0.526 nan 8.360 nan 0.000 0.466 1085 E N 0.254 120.467 120.200 0.022 0.000 2.153 1085 E HA -0.160 4.190 4.350 0.000 0.000 0.194 1085 E C 1.986 178.595 176.600 0.014 0.000 0.988 1085 E CA 0.515 56.927 56.400 0.019 0.000 0.811 1085 E CB 0.023 29.739 29.700 0.026 0.000 0.746 1085 E HN 0.327 nan 8.360 nan 0.000 0.466 1086 L N -0.027 121.205 121.223 0.014 0.000 2.095 1086 L HA -0.076 4.264 4.340 0.000 0.000 0.204 1086 L C 2.292 179.156 176.870 -0.011 0.000 1.080 1086 L CA 0.752 55.594 54.840 0.003 0.000 0.759 1086 L CB -0.941 41.114 42.059 -0.006 0.000 0.914 1086 L HN 0.166 nan 8.230 nan 0.000 0.439 1087 L N -0.040 121.172 121.223 -0.018 0.000 2.093 1087 L HA -0.189 4.151 4.340 0.000 0.000 0.208 1087 L C 2.214 179.073 176.870 -0.019 0.000 1.085 1087 L CA 1.564 56.387 54.840 -0.029 0.000 0.755 1087 L CB -0.871 41.169 42.059 -0.031 0.000 0.904 1087 L HN 0.242 nan 8.230 nan 0.000 0.435 1088 D N -1.185 119.211 120.400 -0.008 0.000 2.178 1088 D HA -0.234 4.406 4.640 0.000 0.000 0.202 1088 D C 2.141 178.440 176.300 -0.001 0.000 0.974 1088 D CA 0.689 54.687 54.000 -0.003 0.000 0.841 1088 D CB 0.097 40.898 40.800 0.001 0.000 0.953 1088 D HN 0.342 nan 8.370 nan 0.000 0.478 1089 Q N -0.168 119.632 119.800 0.000 0.000 2.482 1089 Q HA -0.029 4.311 4.340 0.000 0.000 0.209 1089 Q C -0.293 175.708 176.000 0.002 0.000 0.961 1089 Q CA 0.411 56.215 55.803 0.003 0.000 0.945 1089 Q CB 0.073 28.815 28.738 0.007 0.000 1.012 1089 Q HN 0.209 nan 8.270 nan 0.000 0.515 1090 N N -0.534 118.163 118.700 -0.005 0.000 2.815 1090 N HA -0.137 4.603 4.740 0.000 0.000 0.248 1090 N C -1.434 174.077 175.510 0.001 0.000 1.110 1090 N CA 0.725 53.771 53.050 -0.007 0.000 0.699 1090 N CB -1.691 36.796 38.487 -0.000 0.000 1.040 1090 N HN 0.033 nan 8.380 nan 0.000 0.555 1091 V N 1.572 121.485 119.914 -0.002 0.000 2.432 1091 V HA 0.101 4.221 4.120 0.000 0.000 0.275 1091 V C 1.096 177.197 176.094 0.012 0.000 1.043 1091 V CA -0.654 61.656 62.300 0.016 0.000 0.925 1091 V CB 1.411 33.240 31.823 0.009 0.000 0.985 1091 V HN 0.288 nan 8.190 nan 0.000 0.466 1092 H N 7.984 127.040 119.070 -0.024 0.000 3.094 1092 H HA 0.016 4.573 4.556 0.001 0.000 0.320 1092 H C -1.698 173.605 175.328 -0.041 0.000 1.000 1092 H CA -1.094 54.939 56.048 -0.026 0.000 1.413 1092 H CB 1.526 31.275 29.762 -0.022 0.000 1.405 1092 H HN 0.396 nan 8.280 nan 0.000 0.586 1093 P HA -0.170 nan 4.420 nan 0.000 0.217 1093 P C 1.531 178.867 177.300 0.061 0.000 1.148 1093 P CA 1.710 64.764 63.100 -0.077 0.000 0.834 1093 P CB 0.089 31.701 31.700 -0.146 0.000 0.783 1094 T N -1.807 112.939 114.554 0.320 0.000 2.915 1094 T HA -0.064 4.287 4.350 0.000 0.000 0.269 1094 T C 1.585 176.308 174.700 0.038 0.000 1.071 1094 T CA 0.760 62.951 62.100 0.152 0.000 1.132 1094 T CB -0.728 68.191 68.868 0.086 0.000 0.878 1094 T HN -0.027 nan 8.240 nan 0.000 0.479 1095 I N 0.214 120.813 120.570 0.048 0.000 2.286 1095 I HA -0.091 4.079 4.170 0.000 0.000 0.245 1095 I C 2.413 178.481 176.117 -0.082 0.000 1.104 1095 I CA 0.730 62.023 61.300 -0.012 0.000 1.397 1095 I CB -0.233 37.773 38.000 0.009 0.000 1.072 1095 I HN 0.104 nan 8.210 nan 0.000 0.417 1096 V N 0.402 120.233 119.914 -0.138 0.000 2.343 1096 V HA -0.223 3.897 4.120 0.000 0.000 0.247 1096 V C 2.423 178.216 176.094 -0.501 0.000 1.051 1096 V CA 1.496 63.582 62.300 -0.357 0.000 1.036 1096 V CB -0.369 31.242 31.823 -0.352 0.000 0.654 1096 V HN 0.220 nan 8.190 nan 0.000 0.451 1097 V N -0.068 119.693 119.914 -0.254 0.000 2.270 1097 V HA -0.282 3.838 4.120 0.000 0.000 0.245 1097 V C 2.424 178.479 176.094 -0.066 0.000 1.043 1097 V CA 2.414 64.631 62.300 -0.139 0.000 1.014 1097 V CB -0.652 31.143 31.823 -0.048 0.000 0.645 1097 V HN 0.545 nan 8.190 nan 0.000 0.447 1098 K N 0.196 120.563 120.400 -0.055 0.000 2.057 1098 K HA -0.155 4.165 4.320 0.000 0.000 0.207 1098 K C 2.159 178.747 176.600 -0.020 0.000 1.049 1098 K CA 1.666 57.936 56.287 -0.029 0.000 0.931 1098 K CB -0.628 31.855 32.500 -0.027 0.000 0.714 1098 K HN 0.492 nan 8.250 nan 0.000 0.440 1099 G N -0.014 108.769 108.800 -0.029 0.000 2.440 1099 G HA2 -0.237 3.723 3.960 0.000 0.000 0.218 1099 G HA3 -0.237 3.723 3.960 0.000 0.000 0.218 1099 G C 1.140 176.103 174.900 0.105 0.000 1.154 1099 G CA 0.694 45.812 45.100 0.030 0.000 0.767 1099 G HN 0.270 nan 8.290 nan 0.000 0.552 1100 Y N 0.815 121.040 120.300 -0.124 0.000 2.314 1100 Y HA 0.018 4.568 4.550 0.000 0.000 0.293 1100 Y C 2.995 178.713 175.900 -0.303 0.000 1.129 1100 Y CA 0.595 58.536 58.100 -0.264 0.000 1.201 1100 Y CB -0.672 37.748 38.460 -0.066 0.000 0.999 1100 Y HN 0.335 nan 8.280 nan 0.000 0.541 1101 Q N -0.562 119.243 119.800 0.007 0.000 2.046 1101 Q HA -0.107 4.233 4.340 0.000 0.000 0.200 1101 Q C 2.563 178.514 176.000 -0.081 0.000 0.975 1101 Q CA 1.385 57.167 55.803 -0.034 0.000 0.836 1101 Q CB -0.242 28.490 28.738 -0.010 0.000 0.896 1101 Q HN 0.417 nan 8.270 nan 0.000 0.428 1102 A N 1.086 123.861 122.820 -0.074 0.000 1.873 1102 A HA -0.102 4.218 4.320 0.000 0.000 0.215 1102 A C 2.285 179.806 177.584 -0.106 0.000 1.186 1102 A CA 1.607 53.603 52.037 -0.068 0.000 0.616 1102 A CB -0.840 18.138 19.000 -0.036 0.000 0.823 1102 A HN 0.390 nan 8.150 nan 0.000 0.442 1103 A N -0.220 122.474 122.820 -0.210 0.000 1.898 1103 A HA 0.196 4.516 4.320 0.000 0.000 0.216 1103 A C 2.491 179.827 177.584 -0.414 0.000 1.181 1103 A CA 2.025 53.871 52.037 -0.317 0.000 0.620 1103 A CB -0.978 17.677 19.000 -0.575 0.000 0.819 1103 A HN 1.036 nan 8.150 nan 0.000 0.442 1104 A N -0.969 121.497 122.820 -0.591 0.000 1.933 1104 A HA -0.171 4.150 4.320 0.000 0.000 0.218 1104 A C 2.145 179.684 177.584 -0.074 0.000 1.175 1104 A CA 2.062 53.932 52.037 -0.278 0.000 0.628 1104 A CB -0.476 18.397 19.000 -0.212 0.000 0.814 1104 A HN 0.527 nan 8.150 nan 0.000 0.444 1105 Q N 0.021 119.777 119.800 -0.074 0.000 2.119 1105 Q HA -0.120 4.220 4.340 0.000 0.000 0.201 1105 Q C 1.839 177.846 176.000 0.012 0.000 0.972 1105 Q CA 1.798 57.588 55.803 -0.022 0.000 0.847 1105 Q CB -0.110 28.611 28.738 -0.029 0.000 0.903 1105 Q HN 0.486 nan 8.270 nan 0.000 0.433 1106 K N -0.410 120.007 120.400 0.029 0.000 2.167 1106 K HA 0.093 4.413 4.320 0.000 0.000 0.203 1106 K C 1.909 178.603 176.600 0.156 0.000 1.052 1106 K CA 0.934 57.291 56.287 0.117 0.000 0.956 1106 K CB -0.288 32.339 32.500 0.212 0.000 0.735 1106 K HN 0.277 nan 8.250 nan 0.000 0.451 1107 A N 1.588 124.480 122.820 0.119 0.000 1.898 1107 A HA -0.182 4.138 4.320 0.000 0.000 0.216 1107 A C 2.144 179.786 177.584 0.096 0.000 1.181 1107 A CA 1.264 53.380 52.037 0.131 0.000 0.620 1107 A CB -0.363 18.758 19.000 0.203 0.000 0.819 1107 A HN 0.335 nan 8.150 nan 0.000 0.442 1108 Q N -1.003 118.843 119.800 0.076 0.000 2.119 1108 Q HA -0.171 4.169 4.340 0.000 0.000 0.201 1108 Q C 2.079 178.111 176.000 0.054 0.000 0.972 1108 Q CA 1.372 57.209 55.803 0.057 0.000 0.847 1108 Q CB -0.104 28.660 28.738 0.043 0.000 0.903 1108 Q HN 0.855 nan 8.270 nan 0.000 0.433 1109 E N 0.860 121.097 120.200 0.062 0.000 2.072 1109 E HA -0.176 4.174 4.350 0.000 0.000 0.191 1109 E C 1.915 178.562 176.600 0.077 0.000 0.985 1109 E CA 0.613 57.050 56.400 0.062 0.000 0.801 1109 E CB 0.040 29.777 29.700 0.062 0.000 0.750 1109 E HN 0.304 nan 8.360 nan 0.000 0.452 1110 L N 0.334 121.617 121.223 0.101 0.000 2.083 1110 L HA -0.188 4.152 4.340 0.000 0.000 0.209 1110 L C 2.389 179.296 176.870 0.061 0.000 1.083 1110 L CA 0.313 55.207 54.840 0.090 0.000 0.752 1110 L CB -0.262 41.848 42.059 0.086 0.000 0.899 1110 L HN 0.242 nan 8.230 nan 0.000 0.433 1111 L N -0.119 121.138 121.223 0.056 0.000 2.083 1111 L HA -0.190 4.150 4.340 0.000 0.000 0.209 1111 L C 2.453 179.345 176.870 0.037 0.000 1.083 1111 L CA 1.703 56.569 54.840 0.043 0.000 0.752 1111 L CB -0.731 41.353 42.059 0.041 0.000 0.899 1111 L HN 0.158 nan 8.230 nan 0.000 0.433 1112 K N -1.498 118.925 120.400 0.038 0.000 2.148 1112 K HA -0.083 4.238 4.320 0.000 0.000 0.204 1112 K C 1.918 178.537 176.600 0.032 0.000 1.050 1112 K CA 1.463 57.769 56.287 0.032 0.000 0.942 1112 K CB -0.191 32.327 32.500 0.030 0.000 0.724 1112 K HN 0.306 nan 8.250 nan 0.000 0.446 1113 T N 1.980 116.557 114.554 0.039 0.000 2.777 1113 T HA -0.076 4.275 4.350 0.000 0.000 0.266 1113 T C 1.873 176.592 174.700 0.032 0.000 1.040 1113 T CA 1.267 63.390 62.100 0.039 0.000 1.141 1113 T CB -0.139 68.761 68.868 0.052 0.000 0.868 1113 T HN 0.383 nan 8.240 nan 0.000 0.444 1114 I N -0.302 120.288 120.570 0.034 0.000 3.419 1114 I HA 0.437 4.607 4.170 0.000 0.000 0.286 1114 I C 1.076 177.207 176.117 0.024 0.000 1.268 1114 I CA -0.524 60.793 61.300 0.029 0.000 1.414 1114 I CB -0.474 37.547 38.000 0.036 0.000 1.074 1114 I HN -0.052 nan 8.210 nan 0.000 0.457 1115 A N 1.551 124.385 122.820 0.024 0.000 2.546 1115 A HA 0.135 4.455 4.320 0.000 0.000 0.243 1115 A C 0.100 177.694 177.584 0.016 0.000 1.063 1115 A CA -0.022 52.027 52.037 0.020 0.000 0.757 1115 A CB -0.230 18.782 19.000 0.020 0.000 0.991 1115 A HN 0.638 nan 8.150 nan 0.000 0.503 1116 C N 3.413 122.721 119.300 0.014 0.000 2.273 1116 C HA 0.569 5.029 4.460 0.000 0.000 0.328 1116 C C 0.330 175.326 174.990 0.010 0.000 1.275 1116 C CA -0.616 58.409 59.018 0.011 0.000 1.704 1116 C CB -0.098 27.648 27.740 0.010 0.000 2.326 1116 C HN 0.943 nan 8.230 nan 0.000 0.517 1117 E N 3.613 123.818 120.200 0.009 0.000 2.324 1117 E HA 0.454 4.804 4.350 0.000 0.000 0.271 1117 E C -0.180 176.424 176.600 0.006 0.000 1.028 1117 E CA 0.070 56.474 56.400 0.007 0.000 0.890 1117 E CB 0.766 30.471 29.700 0.007 0.000 1.004 1117 E HN 0.719 nan 8.360 nan 0.000 0.431 1118 V N 1.532 121.449 119.914 0.006 0.000 3.040 1118 V HA 0.857 4.978 4.120 0.000 0.000 0.312 1118 V C 0.501 176.598 176.094 0.004 0.000 1.115 1118 V CA -0.752 61.551 62.300 0.005 0.000 0.998 1118 V CB 1.675 33.501 31.823 0.005 0.000 1.042 1118 V HN 0.681 nan 8.190 nan 0.000 0.433 1119 G N 0.572 109.374 108.800 0.004 0.000 2.365 1119 G HA2 0.478 4.439 3.960 0.000 0.000 0.249 1119 G HA3 0.478 4.439 3.960 0.000 0.000 0.249 1119 G C 0.967 175.869 174.900 0.004 0.000 1.288 1119 G CA 0.111 45.213 45.100 0.003 0.000 0.887 1119 G HN 1.666 nan 8.290 nan 0.000 0.524 1120 A N 2.196 125.019 122.820 0.004 0.000 1.972 1120 A HA -0.043 4.278 4.320 0.000 0.000 0.219 1120 A C 1.911 179.497 177.584 0.004 0.000 1.169 1120 A CA 1.204 53.243 52.037 0.004 0.000 0.635 1120 A CB 0.023 19.025 19.000 0.004 0.000 0.810 1120 A HN 0.519 nan 8.150 nan 0.000 0.446 1121 Q N -0.108 119.694 119.800 0.003 0.000 2.165 1121 Q HA 0.102 4.443 4.340 0.000 0.000 0.245 1121 Q C -0.986 175.015 176.000 0.003 0.000 0.841 1121 Q CA -0.162 55.643 55.803 0.003 0.000 1.078 1121 Q CB 0.148 28.888 28.738 0.003 0.000 1.169 1121 Q HN 0.716 nan 8.270 nan 0.000 0.475 1122 D N 0.872 121.273 120.400 0.003 0.000 2.346 1122 D HA -0.012 4.628 4.640 0.000 0.000 0.260 1122 D C 1.284 177.584 176.300 0.001 0.000 1.252 1122 D CA 0.115 54.117 54.000 0.002 0.000 0.895 1122 D CB 0.911 41.712 40.800 0.002 0.000 1.097 1122 D HN -0.210 nan 8.370 nan 0.000 0.489 1123 K N 3.581 123.981 120.400 0.001 0.000 2.077 1123 K HA -0.292 4.028 4.320 0.000 0.000 0.213 1123 K C 1.558 178.157 176.600 -0.001 0.000 1.051 1123 K CA 2.092 58.380 56.287 0.001 0.000 0.929 1123 K CB -0.131 32.370 32.500 0.000 0.000 0.715 1123 K HN 0.662 nan 8.250 nan 0.000 0.451 1124 E N -0.471 119.729 120.200 -0.001 0.000 2.023 1124 E HA -0.219 4.132 4.350 0.000 0.000 0.196 1124 E C 1.981 178.579 176.600 -0.003 0.000 1.003 1124 E CA 1.674 58.073 56.400 -0.003 0.000 0.809 1124 E CB -0.268 29.430 29.700 -0.003 0.000 0.755 1124 E HN 0.346 nan 8.360 nan 0.000 0.449 1125 I N 0.597 121.166 120.570 -0.001 0.000 2.614 1125 I HA -0.187 3.983 4.170 0.000 0.000 0.258 1125 I C 1.893 178.011 176.117 0.001 0.000 1.189 1125 I CA 0.642 61.942 61.300 0.000 0.000 1.462 1125 I CB -0.057 37.944 38.000 0.002 0.000 1.092 1125 I HN 0.204 nan 8.210 nan 0.000 0.442 1126 L N 0.057 121.281 121.223 0.001 0.000 2.093 1126 L HA -0.159 4.182 4.340 0.000 0.000 0.208 1126 L C 2.664 179.535 176.870 0.001 0.000 1.085 1126 L CA 2.357 57.198 54.840 0.002 0.000 0.755 1126 L CB -1.543 40.517 42.059 0.002 0.000 0.904 1126 L HN 0.480 nan 8.230 nan 0.000 0.435 1127 T N -4.848 109.706 114.554 -0.002 0.000 3.014 1127 T HA -0.075 4.276 4.350 0.000 0.000 0.263 1127 T C 1.900 176.596 174.700 -0.006 0.000 1.078 1127 T CA 0.496 62.593 62.100 -0.004 0.000 1.135 1127 T CB -0.082 68.782 68.868 -0.006 0.000 0.895 1127 T HN 0.184 nan 8.240 nan 0.000 0.480 1128 K N 0.512 120.908 120.400 -0.006 0.000 2.103 1128 K HA 0.128 4.448 4.320 0.000 0.000 0.204 1128 K C 2.117 178.715 176.600 -0.003 0.000 1.052 1128 K CA 0.824 57.106 56.287 -0.008 0.000 0.945 1128 K CB -0.132 32.364 32.500 -0.006 0.000 0.722 1128 K HN 0.258 nan 8.250 nan 0.000 0.443 1129 I N 1.241 121.812 120.570 0.001 0.000 2.202 1129 I HA -0.192 3.978 4.170 0.000 0.000 0.242 1129 I C 2.496 178.617 176.117 0.007 0.000 1.091 1129 I CA 1.149 62.453 61.300 0.006 0.000 1.368 1129 I CB -1.316 36.688 38.000 0.007 0.000 1.058 1129 I HN 0.086 nan 8.210 nan 0.000 0.410 1130 A N 0.951 123.773 122.820 0.004 0.000 1.851 1130 A HA -0.234 4.086 4.320 0.000 0.000 0.216 1130 A C 2.408 179.995 177.584 0.004 0.000 1.195 1130 A CA 1.924 53.964 52.037 0.004 0.000 0.622 1130 A CB -0.674 18.328 19.000 0.002 0.000 0.831 1130 A HN 0.333 nan 8.150 nan 0.000 0.444 1131 M N -0.972 118.627 119.600 -0.002 0.000 2.132 1131 M HA -0.123 4.357 4.480 0.000 0.000 0.263 1131 M C 2.275 178.573 176.300 -0.004 0.000 1.065 1131 M CA 1.914 57.209 55.300 -0.008 0.000 1.122 1131 M CB -0.740 31.848 32.600 -0.021 0.000 1.365 1131 M HN 0.474 nan 8.290 nan 0.000 0.411 1132 T N -0.139 114.415 114.554 -0.000 0.000 2.720 1132 T HA -0.160 4.190 4.350 0.000 0.000 0.268 1132 T C 1.955 176.678 174.700 0.038 0.000 1.037 1132 T CA 1.917 64.027 62.100 0.016 0.000 1.144 1132 T CB -0.317 68.562 68.868 0.019 0.000 0.864 1132 T HN 0.395 nan 8.240 nan 0.000 0.444 1133 S N 0.514 116.231 115.700 0.028 0.000 2.368 1133 S HA -0.037 4.433 4.470 0.000 0.000 0.225 1133 S C 2.035 176.656 174.600 0.035 0.000 1.030 1133 S CA 0.875 59.093 58.200 0.030 0.000 0.999 1133 S CB -0.482 62.730 63.200 0.020 0.000 0.844 1133 S HN 0.471 nan 8.310 nan 0.000 0.459 1134 I N 1.536 122.123 120.570 0.029 0.000 2.315 1134 I HA -0.090 4.080 4.170 0.000 0.000 0.248 1134 I C 1.290 177.437 176.117 0.049 0.000 1.117 1134 I CA 0.882 62.200 61.300 0.030 0.000 1.404 1134 I CB -0.905 37.106 38.000 0.018 0.000 1.071 1134 I HN 0.421 nan 8.210 nan 0.000 0.419 1135 T N -0.465 114.127 114.554 0.063 0.000 2.932 1135 T HA 0.308 4.658 4.350 0.000 0.000 0.312 1135 T C 1.148 175.950 174.700 0.169 0.000 1.071 1135 T CA 0.115 62.287 62.100 0.121 0.000 1.128 1135 T CB 1.239 70.185 68.868 0.130 0.000 0.984 1135 T HN 0.618 nan 8.240 nan 0.000 0.549 1136 G N 1.399 110.322 108.800 0.204 0.000 2.157 1136 G HA2 -0.206 3.755 3.960 0.000 0.000 0.248 1136 G HA3 -0.206 3.755 3.960 0.000 0.000 0.248 1136 G C -0.057 174.881 174.900 0.063 0.000 0.979 1136 G CA 0.380 45.552 45.100 0.120 0.000 0.650 1136 G HN 0.934 nan 8.290 nan 0.000 0.529 1137 K N -0.901 119.539 120.400 0.066 0.000 2.295 1137 K HA 0.611 4.931 4.320 0.000 0.000 0.239 1137 K C 1.560 178.185 176.600 0.042 0.000 0.991 1137 K CA -0.511 55.801 56.287 0.043 0.000 0.845 1137 K CB 1.342 33.864 32.500 0.037 0.000 1.197 1137 K HN 0.157 nan 8.250 nan 0.000 0.441 1138 G N 0.419 109.238 108.800 0.032 0.000 2.432 1138 G HA2 -0.246 3.714 3.960 0.000 0.000 0.219 1138 G HA3 -0.246 3.714 3.960 0.000 0.000 0.219 1138 G C 1.224 176.141 174.900 0.029 0.000 1.135 1138 G CA 1.068 46.186 45.100 0.030 0.000 0.767 1138 G HN 0.614 nan 8.290 nan 0.000 0.550 1139 A N 1.431 124.268 122.820 0.028 0.000 2.216 1139 A HA 0.065 4.386 4.320 0.000 0.000 0.214 1139 A C 2.096 179.693 177.584 0.023 0.000 1.160 1139 A CA 1.553 53.604 52.037 0.024 0.000 0.725 1139 A CB -0.398 18.615 19.000 0.022 0.000 0.784 1139 A HN 0.663 nan 8.150 nan 0.000 0.472 1140 E N 0.024 120.241 120.200 0.029 0.000 2.333 1140 E HA -0.235 4.115 4.350 0.000 0.000 0.198 1140 E C 1.756 178.364 176.600 0.014 0.000 1.007 1140 E CA 1.053 57.469 56.400 0.025 0.000 0.845 1140 E CB -0.212 29.515 29.700 0.045 0.000 0.766 1140 E HN 0.377 nan 8.360 nan 0.000 0.507 1141 K N 1.283 121.693 120.400 0.017 0.000 2.074 1141 K HA -0.127 4.193 4.320 0.000 0.000 0.209 1141 K C 1.180 177.783 176.600 0.005 0.000 1.048 1141 K CA 1.684 57.977 56.287 0.011 0.000 0.926 1141 K CB -0.144 32.364 32.500 0.014 0.000 0.713 1141 K HN 0.263 nan 8.250 nan 0.000 0.444 1142 A N 1.048 123.872 122.820 0.006 0.000 2.676 1142 A HA 0.117 4.437 4.320 0.000 0.000 0.297 1142 A C 1.217 178.802 177.584 0.002 0.000 1.132 1142 A CA -0.264 51.775 52.037 0.003 0.000 0.972 1142 A CB -0.062 18.941 19.000 0.006 0.000 1.197 1142 A HN 0.383 nan 8.150 nan 0.000 0.524 1143 K N 0.030 120.429 120.400 -0.001 0.000 2.281 1143 K HA -0.201 4.119 4.320 0.000 0.000 0.203 1143 K C 0.817 177.413 176.600 -0.006 0.000 1.046 1143 K CA 1.926 58.211 56.287 -0.003 0.000 0.938 1143 K CB -0.100 32.396 32.500 -0.008 0.000 0.737 1143 K HN 0.334 nan 8.250 nan 0.000 0.458 1144 E N 1.444 121.639 120.200 -0.009 0.000 2.072 1144 E HA -0.055 4.295 4.350 0.000 0.000 0.190 1144 E C 1.744 178.341 176.600 -0.004 0.000 0.982 1144 E CA 1.244 57.638 56.400 -0.009 0.000 0.803 1144 E CB 0.060 29.753 29.700 -0.012 0.000 0.755 1144 E HN 0.356 nan 8.360 nan 0.000 0.453 1145 K N -0.034 120.365 120.400 -0.001 0.000 2.103 1145 K HA -0.056 4.264 4.320 0.000 0.000 0.204 1145 K C 1.777 178.380 176.600 0.004 0.000 1.052 1145 K CA 0.621 56.909 56.287 0.002 0.000 0.945 1145 K CB -0.041 32.461 32.500 0.004 0.000 0.722 1145 K HN 0.015 nan 8.250 nan 0.000 0.443 1146 L N 0.887 122.112 121.223 0.004 0.000 2.056 1146 L HA -0.098 4.243 4.340 0.000 0.000 0.207 1146 L C 2.363 179.236 176.870 0.005 0.000 1.078 1146 L CA 1.641 56.485 54.840 0.006 0.000 0.749 1146 L CB -0.935 41.129 42.059 0.007 0.000 0.901 1146 L HN 0.120 nan 8.230 nan 0.000 0.433 1147 A N -0.959 121.863 122.820 0.002 0.000 1.933 1147 A HA -0.226 4.094 4.320 0.000 0.000 0.218 1147 A C 2.299 179.884 177.584 0.002 0.000 1.175 1147 A CA 1.644 53.681 52.037 0.001 0.000 0.628 1147 A CB -0.487 18.512 19.000 -0.002 0.000 0.814 1147 A HN 0.389 nan 8.150 nan 0.000 0.444 1148 E N 0.308 120.508 120.200 0.001 0.000 2.077 1148 E HA -0.145 4.206 4.350 0.000 0.000 0.193 1148 E C 1.695 178.298 176.600 0.005 0.000 0.989 1148 E CA 1.488 57.890 56.400 0.002 0.000 0.800 1148 E CB -0.366 29.335 29.700 0.002 0.000 0.746 1148 E HN 0.647 nan 8.360 nan 0.000 0.452 1149 I N -0.309 120.264 120.570 0.006 0.000 2.179 1149 I HA -0.232 3.938 4.170 0.000 0.000 0.242 1149 I C 1.925 178.047 176.117 0.007 0.000 1.088 1149 I CA 0.701 62.006 61.300 0.008 0.000 1.357 1149 I CB -0.150 37.856 38.000 0.010 0.000 1.051 1149 I HN 0.158 nan 8.210 nan 0.000 0.409 1150 I N -0.303 120.270 120.570 0.006 0.000 2.353 1150 I HA -0.176 3.994 4.170 0.000 0.000 0.248 1150 I C 2.295 178.415 176.117 0.005 0.000 1.119 1150 I CA 1.153 62.456 61.300 0.005 0.000 1.417 1150 I CB -0.272 37.731 38.000 0.005 0.000 1.078 1150 I HN -0.059 nan 8.210 nan 0.000 0.421 1151 V N 0.152 120.068 119.914 0.005 0.000 2.379 1151 V HA -0.185 3.935 4.120 0.000 0.000 0.245 1151 V C 2.438 178.536 176.094 0.005 0.000 1.044 1151 V CA 1.490 63.793 62.300 0.004 0.000 1.036 1151 V CB -0.564 31.261 31.823 0.003 0.000 0.664 1151 V HN 0.360 nan 8.190 nan 0.000 0.453 1152 E N 0.372 120.575 120.200 0.006 0.000 2.106 1152 E HA -0.117 4.233 4.350 0.000 0.000 0.192 1152 E C 2.348 178.953 176.600 0.008 0.000 0.984 1152 E CA 1.386 57.790 56.400 0.007 0.000 0.806 1152 E CB -0.475 29.230 29.700 0.008 0.000 0.750 1152 E HN 0.553 nan 8.360 nan 0.000 0.458 1153 A N 1.004 123.829 122.820 0.008 0.000 1.902 1153 A HA -0.134 4.186 4.320 0.000 0.000 0.217 1153 A C 2.613 180.201 177.584 0.006 0.000 1.181 1153 A CA 1.476 53.517 52.037 0.007 0.000 0.623 1153 A CB -0.657 18.346 19.000 0.006 0.000 0.818 1153 A HN 0.131 nan 8.150 nan 0.000 0.443 1154 V N -0.269 119.648 119.914 0.005 0.000 2.270 1154 V HA -0.202 3.918 4.120 0.000 0.000 0.245 1154 V C 2.772 178.869 176.094 0.006 0.000 1.043 1154 V CA 2.292 64.595 62.300 0.005 0.000 1.014 1154 V CB -0.869 30.956 31.823 0.004 0.000 0.645 1154 V HN 0.547 nan 8.190 nan 0.000 0.447 1155 S N 0.217 115.921 115.700 0.007 0.000 2.400 1155 S HA -0.204 4.266 4.470 0.000 0.000 0.232 1155 S C 2.170 176.776 174.600 0.010 0.000 1.025 1155 S CA 1.448 59.653 58.200 0.007 0.000 0.993 1155 S CB -0.480 62.724 63.200 0.008 0.000 0.808 1155 S HN 0.656 nan 8.310 nan 0.000 0.478 1156 A N 0.979 123.806 122.820 0.011 0.000 1.898 1156 A HA -0.033 4.287 4.320 0.000 0.000 0.216 1156 A C 2.330 179.923 177.584 0.015 0.000 1.181 1156 A CA 1.736 53.783 52.037 0.016 0.000 0.620 1156 A CB -0.609 18.401 19.000 0.016 0.000 0.819 1156 A HN 0.587 nan 8.150 nan 0.000 0.442 1157 V N -3.820 116.100 119.914 0.010 0.000 3.565 1157 V HA 0.113 4.234 4.120 0.000 0.000 0.260 1157 V C 1.956 178.053 176.094 0.004 0.000 1.231 1157 V CA 1.032 63.337 62.300 0.007 0.000 1.100 1157 V CB -0.238 31.587 31.823 0.003 0.000 0.807 1157 V HN 0.161 nan 8.190 nan 0.000 0.454 1158 V N 0.831 120.748 119.914 0.004 0.000 2.626 1158 V HA -0.092 4.028 4.120 0.000 0.000 0.252 1158 V C 1.573 177.668 176.094 0.002 0.000 1.067 1158 V CA 2.480 64.781 62.300 0.003 0.000 1.081 1158 V CB -0.536 31.289 31.823 0.003 0.000 0.686 1158 V HN 0.854 nan 8.190 nan 0.000 0.468 1159 D N -0.730 119.672 120.400 0.003 0.000 4.438 1159 D HA -0.217 4.423 4.640 0.000 0.000 0.158 1159 D C 0.592 176.891 176.300 -0.001 0.000 0.686 1159 D CA 1.919 55.919 54.000 0.000 0.000 1.183 1159 D CB -1.258 39.541 40.800 -0.003 0.000 0.623 1159 D HN 0.573 nan 8.370 nan 0.000 0.521 1160 D N 1.339 121.737 120.400 -0.003 0.000 2.398 1160 D HA 0.221 4.861 4.640 0.000 0.000 0.247 1160 D C -0.153 176.147 176.300 -0.001 0.000 1.227 1160 D CA 0.131 54.129 54.000 -0.003 0.000 0.980 1160 D CB 0.518 41.316 40.800 -0.004 0.000 1.106 1160 D HN 0.287 nan 8.370 nan 0.000 0.493 1161 E N 0.146 120.345 120.200 -0.001 0.000 2.136 1161 E HA 0.502 4.853 4.350 0.000 0.000 0.246 1161 E C -0.815 175.785 176.600 0.001 0.000 1.017 1161 E CA -0.531 55.869 56.400 0.001 0.000 0.883 1161 E CB -0.458 29.243 29.700 0.001 0.000 1.199 1161 E HN 0.497 nan 8.360 nan 0.000 0.447 1162 G N 2.765 111.565 108.800 0.001 0.000 2.384 1162 G HA2 0.169 4.129 3.960 0.000 0.000 0.300 1162 G HA3 0.169 4.129 3.960 0.000 0.000 0.300 1162 G C -1.857 173.044 174.900 0.001 0.000 1.582 1162 G CA -0.800 44.300 45.100 0.001 0.000 0.875 1162 G HN 0.150 nan 8.290 nan 0.000 0.628 1163 K N 0.904 121.304 120.400 0.000 0.000 2.588 1163 K HA 0.575 4.895 4.320 0.000 0.000 0.250 1163 K C -1.578 175.022 176.600 0.000 0.000 0.972 1163 K CA -0.632 55.655 56.287 0.000 0.000 0.821 1163 K CB 2.121 34.621 32.500 -0.000 0.000 1.249 1163 K HN 0.940 nan 8.250 nan 0.000 0.442 1164 V N 3.243 123.158 119.914 0.000 0.000 2.483 1164 V HA 0.418 4.538 4.120 0.000 0.000 0.295 1164 V C -1.002 175.092 176.094 -0.001 0.000 1.035 1164 V CA -0.498 61.802 62.300 0.000 0.000 0.896 1164 V CB 1.588 33.411 31.823 0.001 0.000 0.986 1164 V HN 0.781 nan 8.190 nan 0.000 0.447 1165 D N 4.671 125.069 120.400 -0.002 0.000 2.329 1165 D HA 0.321 4.961 4.640 0.000 0.000 0.232 1165 D C 0.862 177.159 176.300 -0.005 0.000 1.088 1165 D CA -0.252 53.746 54.000 -0.004 0.000 0.835 1165 D CB 1.828 42.625 40.800 -0.006 0.000 1.078 1165 D HN 0.594 nan 8.370 nan 0.000 0.495 1166 K N 2.232 122.629 120.400 -0.005 0.000 2.281 1166 K HA -0.167 4.153 4.320 0.000 0.000 0.203 1166 K C 0.890 177.484 176.600 -0.010 0.000 1.046 1166 K CA 0.917 57.200 56.287 -0.006 0.000 0.938 1166 K CB 0.206 32.703 32.500 -0.005 0.000 0.737 1166 K HN 0.394 nan 8.250 nan 0.000 0.458 1167 D N 0.717 121.110 120.400 -0.012 0.000 2.269 1167 D HA -0.071 4.569 4.640 0.000 0.000 0.208 1167 D C 1.327 177.615 176.300 -0.020 0.000 0.963 1167 D CA 0.659 54.649 54.000 -0.017 0.000 0.864 1167 D CB 0.175 40.965 40.800 -0.018 0.000 0.936 1167 D HN 0.103 nan 8.370 nan 0.000 0.505 1168 L N -0.152 121.062 121.223 -0.015 0.000 2.558 1168 L HA 0.186 4.526 4.340 0.000 0.000 0.225 1168 L C 0.312 177.174 176.870 -0.013 0.000 1.128 1168 L CA 0.214 55.046 54.840 -0.014 0.000 0.868 1168 L CB 0.220 42.274 42.059 -0.009 0.000 1.006 1168 L HN 0.021 nan 8.230 nan 0.000 0.454 1169 I N 0.551 121.113 120.570 -0.012 0.000 2.502 1169 I HA 0.176 4.346 4.170 0.000 0.000 0.276 1169 I C 0.076 176.184 176.117 -0.015 0.000 1.057 1169 I CA -0.412 60.881 61.300 -0.010 0.000 1.163 1169 I CB 1.003 39.000 38.000 -0.005 0.000 1.288 1169 I HN -0.086 nan 8.210 nan 0.000 0.479 1170 K N 6.204 126.591 120.400 -0.022 0.000 2.368 1170 K HA 0.293 4.613 4.320 0.000 0.000 0.282 1170 K C -0.399 176.186 176.600 -0.024 0.000 1.035 1170 K CA -0.364 55.906 56.287 -0.029 0.000 0.973 1170 K CB 0.971 33.444 32.500 -0.045 0.000 0.957 1170 K HN 0.440 nan 8.250 nan 0.000 0.474 1171 I N 4.265 124.821 120.570 -0.022 0.000 2.287 1171 I HA 0.145 4.316 4.170 0.000 0.000 0.290 1171 I C 0.240 176.343 176.117 -0.023 0.000 1.069 1171 I CA -0.566 60.724 61.300 -0.017 0.000 1.237 1171 I CB 0.502 38.495 38.000 -0.011 0.000 1.418 1171 I HN 0.506 nan 8.210 nan 0.000 0.481 1172 E N 7.299 127.484 120.200 -0.024 0.000 2.183 1172 E HA 0.560 4.911 4.350 0.000 0.000 0.271 1172 E C -0.898 175.691 176.600 -0.017 0.000 0.919 1172 E CA -0.714 55.668 56.400 -0.031 0.000 0.781 1172 E CB 1.396 31.065 29.700 -0.051 0.000 1.140 1172 E HN 0.550 nan 8.360 nan 0.000 0.402 1173 K N 2.243 122.633 120.400 -0.017 0.000 2.427 1173 K HA 0.686 5.006 4.320 0.000 0.000 0.252 1173 K C -1.194 175.399 176.600 -0.010 0.000 0.931 1173 K CA -1.169 55.112 56.287 -0.009 0.000 0.793 1173 K CB 1.906 34.399 32.500 -0.011 0.000 1.211 1173 K HN 0.216 nan 8.250 nan 0.000 0.426 1174 K N 1.450 121.849 120.400 -0.002 0.000 2.581 1174 K HA 0.188 4.509 4.320 0.000 0.000 0.249 1174 K C -1.223 175.379 176.600 0.003 0.000 0.966 1174 K CA -0.367 55.921 56.287 0.001 0.000 0.811 1174 K CB 2.255 34.763 32.500 0.014 0.000 1.223 1174 K HN 0.696 nan 8.250 nan 0.000 0.438 1175 S N 2.572 118.269 115.700 -0.006 0.000 2.560 1175 S HA 0.594 5.064 4.470 0.000 0.000 0.284 1175 S C 0.016 174.620 174.600 0.005 0.000 1.327 1175 S CA 1.238 59.435 58.200 -0.005 0.000 1.055 1175 S CB -0.131 63.060 63.200 -0.015 0.000 0.868 1175 S HN 1.044 nan 8.310 nan 0.000 0.506 1176 G N 1.970 110.774 108.800 0.008 0.000 2.348 1176 G HA2 0.532 4.492 3.960 0.000 0.000 0.606 1176 G HA3 0.532 4.492 3.960 0.000 0.000 0.606 1176 G C -0.180 174.728 174.900 0.014 0.000 1.466 1176 G CA -0.032 45.075 45.100 0.012 0.000 0.950 1176 G HN 2.070 nan 8.290 nan 0.000 0.657 1177 A N -0.615 122.212 122.820 0.013 0.000 6.088 1177 A HA 0.418 4.739 4.320 0.000 0.000 0.261 1177 A C 1.267 178.859 177.584 0.013 0.000 2.138 1177 A CA 1.984 54.029 52.037 0.012 0.000 0.708 1177 A CB -1.808 17.200 19.000 0.014 0.000 1.068 1177 A HN 2.915 nan 8.150 nan 0.000 0.364 1178 S N -1.657 114.050 115.700 0.013 0.000 2.759 1178 S HA 0.733 5.203 4.470 0.000 0.000 0.310 1178 S C 1.056 175.665 174.600 0.014 0.000 1.123 1178 S CA 0.084 58.292 58.200 0.013 0.000 0.959 1178 S CB 1.316 64.523 63.200 0.011 0.000 1.172 1178 S HN 1.918 nan 8.310 nan 0.000 0.539 1179 I N 0.515 121.093 120.570 0.014 0.000 2.567 1179 I HA -0.137 4.034 4.170 0.000 0.000 0.257 1179 I C 1.068 177.192 176.117 0.012 0.000 1.184 1179 I CA 1.437 62.746 61.300 0.014 0.000 1.451 1179 I CB -0.232 37.777 38.000 0.015 0.000 1.089 1179 I HN 0.634 nan 8.210 nan 0.000 0.441 1180 D N 0.853 121.260 120.400 0.011 0.000 2.219 1180 D HA -0.159 4.482 4.640 0.000 0.000 0.205 1180 D C 1.266 177.572 176.300 0.010 0.000 0.970 1180 D CA 1.218 55.224 54.000 0.009 0.000 0.851 1180 D CB -0.176 40.628 40.800 0.007 0.000 0.943 1180 D HN 0.517 nan 8.370 nan 0.000 0.488 1181 D N -0.186 120.221 120.400 0.012 0.000 2.363 1181 D HA -0.027 4.614 4.640 0.000 0.000 0.220 1181 D C 0.251 176.562 176.300 0.019 0.000 0.994 1181 D CA 0.401 54.410 54.000 0.014 0.000 0.890 1181 D CB 0.077 40.886 40.800 0.015 0.000 0.906 1181 D HN -0.056 nan 8.370 nan 0.000 0.530 1182 T N 1.800 116.366 114.554 0.019 0.000 2.908 1182 T HA 0.131 4.481 4.350 0.000 0.000 0.301 1182 T C 0.214 174.927 174.700 0.022 0.000 1.019 1182 T CA 0.261 62.374 62.100 0.021 0.000 1.152 1182 T CB 0.308 69.186 68.868 0.017 0.000 0.966 1182 T HN 0.295 nan 8.240 nan 0.000 0.540 1183 E N 1.868 122.085 120.200 0.029 0.000 2.412 1183 E HA 0.582 4.932 4.350 0.000 0.000 0.279 1183 E C -1.622 175.000 176.600 0.036 0.000 0.984 1183 E CA -1.156 55.262 56.400 0.030 0.000 0.788 1183 E CB 1.169 30.888 29.700 0.033 0.000 1.277 1183 E HN 0.308 nan 8.360 nan 0.000 0.455 1184 L N 1.785 123.028 121.223 0.032 0.000 2.307 1184 L HA 0.515 4.855 4.340 0.000 0.000 0.282 1184 L C -1.122 175.775 176.870 0.045 0.000 1.051 1184 L CA -0.440 54.419 54.840 0.032 0.000 0.804 1184 L CB 1.070 43.142 42.059 0.022 0.000 1.197 1184 L HN 0.599 nan 8.230 nan 0.000 0.431 1185 I N 5.501 126.103 120.570 0.052 0.000 2.382 1185 I HA 0.261 4.431 4.170 0.000 0.000 0.285 1185 I C 0.029 176.177 176.117 0.052 0.000 1.007 1185 I CA -0.696 60.650 61.300 0.076 0.000 1.142 1185 I CB 1.150 39.223 38.000 0.122 0.000 1.289 1185 I HN 0.595 nan 8.210 nan 0.000 0.453 1186 K N 5.874 126.302 120.400 0.046 0.000 2.199 1186 K HA 0.548 4.868 4.320 0.000 0.000 0.226 1186 K C 0.187 176.808 176.600 0.036 0.000 1.237 1186 K CA -0.123 56.183 56.287 0.032 0.000 1.170 1186 K CB -0.083 32.430 32.500 0.022 0.000 1.418 1186 K HN 0.854 nan 8.250 nan 0.000 0.255 1187 G N 0.075 108.894 108.800 0.031 0.000 2.368 1187 G HA2 0.142 4.102 3.960 0.000 0.000 0.269 1187 G HA3 0.142 4.102 3.960 0.000 0.000 0.269 1187 G C -1.714 173.186 174.900 0.000 0.000 1.291 1187 G CA -0.708 44.406 45.100 0.023 0.000 0.903 1187 G HN 0.145 nan 8.290 nan 0.000 0.483 1188 V N 0.627 120.529 119.914 -0.020 0.000 2.540 1188 V HA 0.674 4.794 4.120 0.000 0.000 0.302 1188 V C -0.638 175.380 176.094 -0.126 0.000 1.035 1188 V CA -0.655 61.601 62.300 -0.074 0.000 0.873 1188 V CB 1.454 33.218 31.823 -0.098 0.000 0.992 1188 V HN 0.885 nan 8.190 nan 0.000 0.428 1189 L N 6.751 127.854 121.223 -0.200 0.000 2.265 1189 L HA 0.673 5.013 4.340 0.000 0.000 0.289 1189 L C -0.454 176.259 176.870 -0.260 0.000 1.033 1189 L CA 0.152 54.765 54.840 -0.379 0.000 0.814 1189 L CB 1.492 43.230 42.059 -0.535 0.000 1.203 1189 L HN 0.445 nan 8.230 nan 0.000 0.423 1190 V N 4.488 124.269 119.914 -0.220 0.000 2.472 1190 V HA 0.313 4.433 4.120 0.000 0.000 0.290 1190 V C -0.219 175.821 176.094 -0.090 0.000 1.037 1190 V CA -0.626 61.603 62.300 -0.118 0.000 0.908 1190 V CB 1.609 33.408 31.823 -0.040 0.000 0.985 1190 V HN 0.830 nan 8.190 nan 0.000 0.454 1191 D N 3.596 123.959 120.400 -0.062 0.000 3.085 1191 D HA 0.193 4.833 4.640 0.000 0.000 0.243 1191 D C 0.056 176.355 176.300 -0.002 0.000 1.232 1191 D CA -0.277 53.698 54.000 -0.042 0.000 0.913 1191 D CB 0.116 40.891 40.800 -0.041 0.000 1.108 1191 D HN 0.244 nan 8.370 nan 0.000 0.468 1192 K N 0.518 120.932 120.400 0.023 0.000 2.439 1192 K HA 0.423 4.744 4.320 0.000 0.000 0.260 1192 K C 0.345 176.971 176.600 0.043 0.000 1.032 1192 K CA -0.646 55.669 56.287 0.045 0.000 0.882 1192 K CB 2.360 34.913 32.500 0.089 0.000 1.420 1192 K HN 0.331 nan 8.250 nan 0.000 0.455 1193 E N 0.645 120.862 120.200 0.029 0.000 2.393 1193 E HA 0.402 4.752 4.350 0.000 0.000 0.265 1193 E C -0.681 175.914 176.600 -0.009 0.000 0.941 1193 E CA -0.909 55.501 56.400 0.017 0.000 0.801 1193 E CB 1.157 30.865 29.700 0.013 0.000 1.313 1193 E HN 0.209 nan 8.360 nan 0.000 0.435 1194 R N 1.025 121.514 120.500 -0.019 0.000 2.351 1194 R HA 0.103 4.443 4.340 0.000 0.000 0.318 1194 R C 1.045 177.315 176.300 -0.049 0.000 1.055 1194 R CA -0.104 55.967 56.100 -0.047 0.000 0.968 1194 R CB 0.531 30.805 30.300 -0.044 0.000 0.974 1194 R HN 0.516 nan 8.270 nan 0.000 0.439 1195 V N 1.981 121.858 119.914 -0.061 0.000 2.688 1195 V HA -0.154 3.966 4.120 0.000 0.000 0.256 1195 V C 0.774 176.826 176.094 -0.069 0.000 1.084 1195 V CA 1.912 64.180 62.300 -0.054 0.000 1.103 1195 V CB 0.053 31.843 31.823 -0.055 0.000 0.688 1195 V HN 0.726 nan 8.190 nan 0.000 0.480 1196 S N -2.117 113.530 115.700 -0.088 0.000 2.526 1196 S HA 0.667 5.137 4.470 0.000 0.000 0.293 1196 S C 0.791 175.335 174.600 -0.094 0.000 1.092 1196 S CA -0.168 57.961 58.200 -0.118 0.000 0.980 1196 S CB 1.856 64.943 63.200 -0.188 0.000 1.048 1196 S HN 0.481 nan 8.310 nan 0.000 0.483 1197 A N 2.859 125.626 122.820 -0.088 0.000 2.070 1197 A HA -0.057 4.264 4.320 0.000 0.000 0.220 1197 A C 1.864 179.409 177.584 -0.066 0.000 1.159 1197 A CA 1.616 53.615 52.037 -0.063 0.000 0.656 1197 A CB -0.587 18.383 19.000 -0.050 0.000 0.800 1197 A HN 0.889 nan 8.150 nan 0.000 0.453 1198 Q N -1.112 118.631 119.800 -0.095 0.000 2.424 1198 Q HA 0.176 4.516 4.340 0.000 0.000 0.204 1198 Q C 0.396 176.355 176.000 -0.068 0.000 0.933 1198 Q CA -0.140 55.614 55.803 -0.082 0.000 0.929 1198 Q CB -0.065 28.606 28.738 -0.110 0.000 1.037 1198 Q HN 0.670 nan 8.270 nan 0.000 0.511 1199 M N 2.106 121.661 119.600 -0.074 0.000 2.242 1199 M HA 0.258 4.739 4.480 0.000 0.000 0.344 1199 M C -2.049 174.226 176.300 -0.042 0.000 1.140 1199 M CA -1.945 53.320 55.300 -0.059 0.000 1.160 1199 M CB 0.584 33.143 32.600 -0.069 0.000 1.491 1199 M HN -0.062 nan 8.290 nan 0.000 0.459 1200 P HA 0.013 nan 4.420 nan 0.000 0.266 1200 P C -0.520 176.766 177.300 -0.023 0.000 1.193 1200 P CA 0.288 63.374 63.100 -0.024 0.000 0.770 1200 P CB 0.472 32.160 31.700 -0.019 0.000 0.836 1201 K N 0.789 121.180 120.400 -0.015 0.000 2.367 1201 K HA 0.104 4.425 4.320 0.000 0.000 0.194 1201 K C 0.518 177.119 176.600 0.002 0.000 1.027 1201 K CA 0.359 56.641 56.287 -0.007 0.000 1.075 1201 K CB 0.366 32.862 32.500 -0.006 0.000 0.845 1201 K HN 0.311 nan 8.250 nan 0.000 0.529 1202 K N 1.192 121.591 120.400 -0.001 0.000 2.581 1202 K HA 0.267 4.587 4.320 0.000 0.000 0.249 1202 K C -1.817 174.785 176.600 0.003 0.000 0.966 1202 K CA -0.467 55.823 56.287 0.004 0.000 0.811 1202 K CB 1.985 34.484 32.500 -0.001 0.000 1.223 1202 K HN -0.239 nan 8.250 nan 0.000 0.438 1203 V N 3.120 123.039 119.914 0.010 0.000 2.531 1203 V HA 0.431 4.551 4.120 0.000 0.000 0.301 1203 V C -0.217 175.887 176.094 0.017 0.000 1.034 1203 V CA -0.716 61.590 62.300 0.009 0.000 0.865 1203 V CB 1.749 33.575 31.823 0.005 0.000 0.995 1203 V HN 0.944 nan 8.190 nan 0.000 0.424 1204 T N -0.122 114.439 114.554 0.012 0.000 2.925 1204 T HA 0.589 4.939 4.350 0.000 0.000 0.285 1204 T C -0.000 174.708 174.700 0.014 0.000 1.021 1204 T CA -0.318 61.790 62.100 0.013 0.000 1.042 1204 T CB 1.422 70.295 68.868 0.007 0.000 1.037 1204 T HN 0.764 nan 8.240 nan 0.000 0.481 1205 D N 0.180 120.589 120.400 0.016 0.000 2.699 1205 D HA -0.137 4.504 4.640 0.000 0.000 0.239 1205 D C 0.226 176.539 176.300 0.022 0.000 1.136 1205 D CA 0.865 54.875 54.000 0.016 0.000 0.668 1205 D CB -1.247 39.560 40.800 0.011 0.000 1.060 1205 D HN 1.096 nan 8.370 nan 0.000 0.429 1206 A N 1.478 124.316 122.820 0.030 0.000 2.425 1206 A HA 0.454 4.774 4.320 0.000 0.000 0.249 1206 A C 0.464 178.074 177.584 0.043 0.000 1.084 1206 A CA -0.024 52.036 52.037 0.038 0.000 0.781 1206 A CB 0.675 19.707 19.000 0.055 0.000 1.019 1206 A HN 0.145 nan 8.150 nan 0.000 0.490 1207 K N 2.775 123.200 120.400 0.040 0.000 2.404 1207 K HA 0.377 4.697 4.320 0.000 0.000 0.257 1207 K C -1.223 175.413 176.600 0.060 0.000 1.026 1207 K CA -0.254 56.059 56.287 0.044 0.000 0.951 1207 K CB 1.036 33.554 32.500 0.030 0.000 1.203 1207 K HN 0.542 nan 8.250 nan 0.000 0.446 1208 I N 2.206 122.828 120.570 0.088 0.000 2.371 1208 I HA 0.180 4.351 4.170 0.000 0.000 0.290 1208 I C 0.396 176.586 176.117 0.123 0.000 1.028 1208 I CA -0.092 61.296 61.300 0.146 0.000 1.345 1208 I CB 1.318 39.437 38.000 0.199 0.000 1.407 1208 I HN 0.503 nan 8.210 nan 0.000 0.501 1209 A N 7.582 130.482 122.820 0.134 0.000 2.330 1209 A HA 0.854 5.174 4.320 0.000 0.000 0.327 1209 A C -0.784 176.893 177.584 0.155 0.000 1.155 1209 A CA -0.564 51.536 52.037 0.105 0.000 0.803 1209 A CB 0.676 19.713 19.000 0.062 0.000 1.208 1209 A HN 0.653 nan 8.150 nan 0.000 0.477 1210 L N 3.475 124.764 121.223 0.110 0.000 2.345 1210 L HA 0.468 4.809 4.340 0.000 0.000 0.274 1210 L C -1.034 175.878 176.870 0.069 0.000 0.999 1210 L CA -0.051 54.851 54.840 0.104 0.000 0.849 1210 L CB 0.928 43.024 42.059 0.061 0.000 1.220 1210 L HN 0.568 nan 8.230 nan 0.000 0.422 1211 L N 2.878 124.145 121.223 0.074 0.000 2.365 1211 L HA 0.420 4.760 4.340 0.000 0.000 0.273 1211 L C 0.360 177.259 176.870 0.048 0.000 1.000 1211 L CA -0.538 54.332 54.840 0.050 0.000 0.819 1211 L CB 2.082 44.167 42.059 0.044 0.000 1.284 1211 L HN 0.580 nan 8.230 nan 0.000 0.418 1212 N N -0.238 118.482 118.700 0.034 0.000 2.205 1212 N HA 0.019 4.760 4.740 0.000 0.000 0.201 1212 N C 0.098 175.623 175.510 0.025 0.000 1.128 1212 N CA -0.309 52.759 53.050 0.029 0.000 0.867 1212 N CB 0.281 38.781 38.487 0.022 0.000 0.996 1212 N HN 0.407 nan 8.380 nan 0.000 0.503 1213 C N 1.659 120.973 119.300 0.024 0.000 2.499 1213 C HA 0.763 5.223 4.460 0.000 0.000 0.386 1213 C C 0.968 175.971 174.990 0.023 0.000 1.293 1213 C CA -0.962 58.069 59.018 0.021 0.000 1.884 1213 C CB -1.351 26.400 27.740 0.019 0.000 2.509 1213 C HN 0.564 nan 8.230 nan 0.000 0.566 1214 A N 6.342 129.174 122.820 0.021 0.000 2.540 1214 A HA 0.361 4.681 4.320 0.000 0.000 0.239 1214 A C 0.174 177.771 177.584 0.023 0.000 1.061 1214 A CA 0.136 52.186 52.037 0.022 0.000 0.758 1214 A CB -0.035 18.977 19.000 0.019 0.000 0.991 1214 A HN 0.894 nan 8.150 nan 0.000 0.502 1215 I N 2.364 122.950 120.570 0.025 0.000 2.257 1215 I HA 0.232 4.402 4.170 0.000 0.000 0.290 1215 I C 0.322 176.459 176.117 0.034 0.000 1.137 1215 I CA 0.469 61.786 61.300 0.029 0.000 1.255 1215 I CB -0.173 37.846 38.000 0.031 0.000 1.485 1215 I HN 0.784 nan 8.210 nan 0.000 0.534 1216 E N 5.076 125.294 120.200 0.030 0.000 2.317 1216 E HA 0.325 4.676 4.350 0.000 0.000 0.270 1216 E C -1.277 175.339 176.600 0.027 0.000 0.899 1216 E CA -0.512 55.907 56.400 0.031 0.000 0.814 1216 E CB 1.426 31.142 29.700 0.026 0.000 1.296 1216 E HN 0.261 nan 8.360 nan 0.000 0.404 1217 E N 2.725 122.944 120.200 0.032 0.000 2.256 1217 E HA 0.250 4.600 4.350 0.000 0.000 0.268 1217 E C -0.843 175.773 176.600 0.027 0.000 0.877 1217 E CA -0.766 55.650 56.400 0.025 0.000 0.757 1217 E CB 2.148 31.861 29.700 0.023 0.000 1.183 1217 E HN 0.458 nan 8.360 nan 0.000 0.418 1218 T N 1.560 116.126 114.554 0.020 0.000 2.934 1218 T HA 0.327 4.677 4.350 0.000 0.000 0.306 1218 T C 0.189 174.901 174.700 0.021 0.000 1.042 1218 T CA 0.835 62.946 62.100 0.018 0.000 1.145 1218 T CB 0.208 69.084 68.868 0.013 0.000 0.982 1218 T HN 0.720 nan 8.240 nan 0.000 0.544 1219 A N 2.551 125.386 122.820 0.024 0.000 2.435 1219 A HA -0.089 4.231 4.320 0.000 0.000 0.686 1219 A C 1.586 179.198 177.584 0.046 0.000 0.138 1219 A CA 0.268 52.321 52.037 0.027 0.000 0.024 1219 A CB -1.523 17.488 19.000 0.018 0.000 3.974 1219 A HN 0.942 nan 8.150 nan 0.000 0.548 1220 S N 0.116 115.854 115.700 0.064 0.000 2.383 1220 S HA -0.130 4.340 4.470 0.000 0.000 0.227 1220 S C 1.635 176.285 174.600 0.083 0.000 1.026 1220 S CA 2.046 60.325 58.200 0.131 0.000 0.981 1220 S CB -0.176 63.123 63.200 0.165 0.000 0.818 1220 S HN 1.044 nan 8.310 nan 0.000 0.472 1221 E N 0.737 120.951 120.200 0.024 0.000 2.106 1221 E HA -0.036 4.314 4.350 0.000 0.000 0.192 1221 E C 1.954 178.526 176.600 -0.046 0.000 0.984 1221 E CA 1.260 57.639 56.400 -0.034 0.000 0.806 1221 E CB -0.176 29.511 29.700 -0.020 0.000 0.750 1221 E HN 0.401 nan 8.360 nan 0.000 0.458 1222 M N -0.353 119.239 119.600 -0.014 0.000 2.200 1222 M HA -0.014 4.466 4.480 0.000 0.000 0.265 1222 M C 2.055 178.348 176.300 -0.011 0.000 1.066 1222 M CA 0.787 56.080 55.300 -0.012 0.000 1.127 1222 M CB -0.743 31.858 32.600 0.001 0.000 1.379 1222 M HN 0.237 nan 8.290 nan 0.000 0.420 1223 L N 0.622 121.852 121.223 0.012 0.000 2.179 1223 L HA -0.068 4.272 4.340 0.000 0.000 0.208 1223 L C 2.316 179.188 176.870 0.003 0.000 1.096 1223 L CA 1.753 56.615 54.840 0.036 0.000 0.779 1223 L CB -0.730 41.383 42.059 0.090 0.000 0.922 1223 L HN 0.222 nan 8.230 nan 0.000 0.443 1224 K N -0.645 119.695 120.400 -0.101 0.000 2.147 1224 K HA -0.246 4.075 4.320 0.000 0.000 0.205 1224 K C 1.803 178.278 176.600 -0.207 0.000 1.049 1224 K CA 1.698 57.772 56.287 -0.355 0.000 0.936 1224 K CB -0.156 31.896 32.500 -0.747 0.000 0.722 1224 K HN 0.396 nan 8.250 nan 0.000 0.446 1225 D N -0.075 120.250 120.400 -0.125 0.000 2.144 1225 D HA -0.163 4.477 4.640 0.000 0.000 0.199 1225 D C 1.836 178.105 176.300 -0.051 0.000 0.984 1225 D CA 1.191 55.143 54.000 -0.080 0.000 0.834 1225 D CB 0.169 40.938 40.800 -0.053 0.000 0.955 1225 D HN 0.137 nan 8.370 nan 0.000 0.465 1226 M N -0.095 119.485 119.600 -0.034 0.000 2.132 1226 M HA -0.082 4.398 4.480 0.000 0.000 0.263 1226 M C 2.298 178.593 176.300 -0.008 0.000 1.065 1226 M CA 0.653 55.947 55.300 -0.011 0.000 1.122 1226 M CB -0.799 31.804 32.600 0.005 0.000 1.365 1226 M HN 0.030 nan 8.290 nan 0.000 0.411 1227 V N 0.656 120.563 119.914 -0.011 0.000 2.343 1227 V HA -0.233 3.887 4.120 0.000 0.000 0.247 1227 V C 2.715 178.800 176.094 -0.015 0.000 1.051 1227 V CA 1.868 64.170 62.300 0.003 0.000 1.036 1227 V CB -1.357 30.483 31.823 0.028 0.000 0.654 1227 V HN 0.485 nan 8.190 nan 0.000 0.451 1228 A N -0.164 122.628 122.820 -0.046 0.000 1.930 1228 A HA -0.236 4.084 4.320 0.000 0.000 0.217 1228 A C 2.186 179.756 177.584 -0.023 0.000 1.175 1228 A CA 1.956 53.968 52.037 -0.042 0.000 0.627 1228 A CB -0.449 18.512 19.000 -0.064 0.000 0.815 1228 A HN 0.559 nan 8.150 nan 0.000 0.443 1229 E N 0.284 120.473 120.200 -0.020 0.000 2.106 1229 E HA -0.098 4.252 4.350 0.000 0.000 0.192 1229 E C 1.665 178.264 176.600 -0.002 0.000 0.984 1229 E CA 1.259 57.653 56.400 -0.010 0.000 0.806 1229 E CB -0.355 29.340 29.700 -0.008 0.000 0.750 1229 E HN 0.645 nan 8.360 nan 0.000 0.458 1230 I N 0.433 121.003 120.570 0.000 0.000 2.252 1230 I HA -0.211 3.959 4.170 0.000 0.000 0.245 1230 I C 2.512 178.632 176.117 0.005 0.000 1.102 1230 I CA 0.919 62.223 61.300 0.006 0.000 1.385 1230 I CB -0.326 37.680 38.000 0.009 0.000 1.064 1230 I HN 0.068 nan 8.210 nan 0.000 0.414 1231 K N 1.752 122.154 120.400 0.002 0.000 2.097 1231 K HA -0.147 4.174 4.320 0.000 0.000 0.206 1231 K C 2.099 178.700 176.600 0.002 0.000 1.049 1231 K CA 1.746 58.035 56.287 0.003 0.000 0.933 1231 K CB -0.220 32.280 32.500 0.001 0.000 0.717 1231 K HN 0.292 nan 8.250 nan 0.000 0.442 1232 A N 0.560 123.379 122.820 -0.001 0.000 1.978 1232 A HA -0.111 4.209 4.320 0.000 0.000 0.220 1232 A C 2.248 179.833 177.584 0.003 0.000 1.170 1232 A CA 2.050 54.087 52.037 -0.001 0.000 0.636 1232 A CB -0.525 18.473 19.000 -0.004 0.000 0.810 1232 A HN 0.380 nan 8.150 nan 0.000 0.448 1233 S N -1.813 113.890 115.700 0.005 0.000 2.447 1233 S HA 0.232 4.703 4.470 0.000 0.000 0.233 1233 S C 1.550 176.156 174.600 0.010 0.000 1.006 1233 S CA 1.243 59.448 58.200 0.009 0.000 0.957 1233 S CB -0.149 63.058 63.200 0.012 0.000 0.773 1233 S HN 1.695 nan 8.310 nan 0.000 0.507 1234 G N 0.730 109.535 108.800 0.009 0.000 2.163 1234 G HA2 -0.107 3.853 3.960 0.000 0.000 0.213 1234 G HA3 -0.107 3.853 3.960 0.000 0.000 0.213 1234 G C 0.120 175.028 174.900 0.012 0.000 0.991 1234 G CA -0.175 44.931 45.100 0.010 0.000 0.653 1234 G HN 0.835 nan 8.290 nan 0.000 0.518 1235 A N 0.042 122.870 122.820 0.013 0.000 2.540 1235 A HA 0.564 4.884 4.320 0.000 0.000 0.239 1235 A C 1.188 178.775 177.584 0.006 0.000 1.061 1235 A CA 1.036 53.081 52.037 0.015 0.000 0.758 1235 A CB 0.169 19.178 19.000 0.015 0.000 0.991 1235 A HN 0.375 nan 8.150 nan 0.000 0.502 1236 N N 0.616 119.319 118.700 0.005 0.000 2.382 1236 N HA 0.116 4.856 4.740 0.000 0.000 0.200 1236 N C -0.656 174.837 175.510 -0.028 0.000 1.122 1236 N CA 0.525 53.571 53.050 -0.006 0.000 0.870 1236 N CB 0.903 39.392 38.487 0.003 0.000 1.176 1236 N HN 0.389 nan 8.380 nan 0.000 0.474 1237 V N 2.388 122.285 119.914 -0.029 0.000 2.487 1237 V HA 0.445 4.565 4.120 0.000 0.000 0.298 1237 V C -0.966 175.059 176.094 -0.116 0.000 1.028 1237 V CA -0.831 61.411 62.300 -0.097 0.000 0.860 1237 V CB 2.391 34.191 31.823 -0.039 0.000 0.991 1237 V HN 0.004 nan 8.190 nan 0.000 0.427 1238 L N 5.567 126.640 121.223 -0.251 0.000 2.381 1238 L HA 0.712 5.052 4.340 0.000 0.000 0.274 1238 L C -1.419 175.236 176.870 -0.358 0.000 0.988 1238 L CA -0.022 54.713 54.840 -0.174 0.000 0.824 1238 L CB 1.475 43.481 42.059 -0.087 0.000 1.263 1238 L HN 0.469 nan 8.230 nan 0.000 0.410 1239 F N 4.876 124.829 119.950 0.005 0.000 2.375 1239 F HA 0.459 4.986 4.527 0.000 0.000 0.361 1239 F C 0.141 175.942 175.800 0.003 0.000 1.117 1239 F CA -0.361 57.639 58.000 0.001 0.000 1.037 1239 F CB 1.406 40.405 39.000 -0.002 0.000 1.192 1239 F HN 0.509 nan 8.300 nan 0.000 0.452 1240 C N 5.029 124.408 119.300 0.132 0.000 2.303 1240 C HA 0.253 4.713 4.460 0.000 0.000 0.326 1240 C C 1.612 176.653 174.990 0.085 0.000 1.285 1240 C CA -0.423 58.646 59.018 0.085 0.000 1.675 1240 C CB 0.779 28.544 27.740 0.042 0.000 2.289 1240 C HN 0.948 nan 8.230 nan 0.000 0.512 1241 Q N 3.410 123.251 119.800 0.068 0.000 2.079 1241 Q HA -0.048 4.293 4.340 0.000 0.000 0.200 1241 Q C 1.021 177.044 176.000 0.038 0.000 0.974 1241 Q CA 1.663 57.496 55.803 0.050 0.000 0.840 1241 Q CB 0.170 28.929 28.738 0.035 0.000 0.898 1241 Q HN 0.777 nan 8.270 nan 0.000 0.430 1242 K N -1.134 119.285 120.400 0.033 0.000 2.842 1242 K HA 0.398 4.718 4.320 0.000 0.000 0.310 1242 K C 0.492 177.108 176.600 0.026 0.000 0.992 1242 K CA -0.118 56.185 56.287 0.026 0.000 1.207 1242 K CB -0.242 32.272 32.500 0.022 0.000 1.478 1242 K HN 0.104 nan 8.250 nan 0.000 0.601 1243 G N 0.325 109.138 108.800 0.022 0.000 2.504 1243 G HA2 0.502 4.462 3.960 0.000 0.000 0.288 1243 G HA3 0.502 4.462 3.960 0.000 0.000 0.288 1243 G C -0.634 174.278 174.900 0.020 0.000 1.182 1243 G CA -0.630 44.482 45.100 0.019 0.000 0.894 1243 G HN 0.337 nan 8.290 nan 0.000 0.521 1244 I N 0.844 121.425 120.570 0.018 0.000 2.447 1244 I HA 0.167 4.338 4.170 0.000 0.000 0.287 1244 I C -0.539 175.593 176.117 0.026 0.000 1.023 1244 I CA -0.761 60.551 61.300 0.021 0.000 1.083 1244 I CB 1.991 39.997 38.000 0.011 0.000 1.245 1244 I HN 0.410 nan 8.210 nan 0.000 0.434 1245 D N 5.331 125.753 120.400 0.036 0.000 2.414 1245 D HA -0.035 4.605 4.640 0.000 0.000 0.242 1245 D C 0.677 177.012 176.300 0.058 0.000 1.129 1245 D CA 0.105 54.131 54.000 0.042 0.000 0.885 1245 D CB 1.355 42.182 40.800 0.045 0.000 1.198 1245 D HN 0.497 nan 8.370 nan 0.000 0.437 1246 D N 2.966 123.404 120.400 0.064 0.000 2.190 1246 D HA -0.169 4.471 4.640 0.000 0.000 0.200 1246 D C 1.921 178.333 176.300 0.187 0.000 0.992 1246 D CA 0.748 54.820 54.000 0.120 0.000 0.854 1246 D CB 0.258 41.127 40.800 0.116 0.000 0.936 1246 D HN 0.341 nan 8.370 nan 0.000 0.462 1247 L N 0.954 122.225 121.223 0.079 0.000 2.046 1247 L HA -0.102 4.238 4.340 0.000 0.000 0.208 1247 L C 2.494 179.428 176.870 0.107 0.000 1.077 1247 L CA 1.254 56.111 54.840 0.027 0.000 0.747 1247 L CB -0.958 41.136 42.059 0.058 0.000 0.896 1247 L HN -0.049 nan 8.230 nan 0.000 0.432 1248 A N -1.423 121.488 122.820 0.153 0.000 1.930 1248 A HA -0.207 4.113 4.320 0.000 0.000 0.217 1248 A C 2.209 179.869 177.584 0.125 0.000 1.175 1248 A CA 1.212 53.357 52.037 0.180 0.000 0.627 1248 A CB -0.395 18.673 19.000 0.114 0.000 0.815 1248 A HN 0.517 nan 8.150 nan 0.000 0.443 1249 Q N -1.181 118.663 119.800 0.073 0.000 2.124 1249 Q HA -0.215 4.126 4.340 0.000 0.000 0.202 1249 Q C 1.920 177.874 176.000 -0.076 0.000 0.977 1249 Q CA 1.867 57.660 55.803 -0.016 0.000 0.850 1249 Q CB -0.292 28.401 28.738 -0.074 0.000 0.901 1249 Q HN 0.863 nan 8.270 nan 0.000 0.429 1250 H N -1.296 117.712 119.070 -0.103 0.000 2.363 1250 H HA -0.106 4.450 4.556 0.000 0.000 0.301 1250 H C 1.320 176.562 175.328 -0.142 0.000 1.074 1250 H CA 1.390 57.335 56.048 -0.172 0.000 1.354 1250 H CB 0.029 29.608 29.762 -0.305 0.000 1.397 1250 H HN 0.240 nan 8.280 nan 0.000 0.516 1251 Y N 0.096 120.463 120.300 0.111 0.000 2.314 1251 Y HA -0.076 4.474 4.550 0.000 0.000 0.293 1251 Y C 2.253 178.166 175.900 0.022 0.000 1.129 1251 Y CA 0.601 58.733 58.100 0.054 0.000 1.201 1251 Y CB -0.484 38.000 38.460 0.040 0.000 0.999 1251 Y HN 0.128 nan 8.280 nan 0.000 0.541 1252 L N -1.035 120.282 121.223 0.157 0.000 2.046 1252 L HA -0.213 4.127 4.340 0.000 0.000 0.208 1252 L C 2.620 179.507 176.870 0.028 0.000 1.077 1252 L CA 1.154 56.035 54.840 0.068 0.000 0.747 1252 L CB -0.771 41.306 42.059 0.029 0.000 0.896 1252 L HN 0.191 nan 8.230 nan 0.000 0.432 1253 A N 0.021 122.843 122.820 0.003 0.000 1.933 1253 A HA -0.204 4.116 4.320 0.000 0.000 0.218 1253 A C 2.303 179.892 177.584 0.008 0.000 1.175 1253 A CA 1.529 53.553 52.037 -0.023 0.000 0.628 1253 A CB -0.308 18.645 19.000 -0.077 0.000 0.814 1253 A HN 0.308 nan 8.150 nan 0.000 0.444 1254 K N -0.368 120.059 120.400 0.045 0.000 2.147 1254 K HA -0.096 4.224 4.320 0.000 0.000 0.205 1254 K C 1.377 178.010 176.600 0.054 0.000 1.049 1254 K CA 1.239 57.564 56.287 0.063 0.000 0.936 1254 K CB -0.029 32.544 32.500 0.121 0.000 0.722 1254 K HN 0.384 nan 8.250 nan 0.000 0.446 1255 E N -0.469 119.764 120.200 0.055 0.000 2.478 1255 E HA 0.003 4.354 4.350 0.000 0.000 0.194 1255 E C 0.897 177.507 176.600 0.018 0.000 1.045 1255 E CA 0.525 56.947 56.400 0.036 0.000 0.868 1255 E CB 0.595 30.318 29.700 0.037 0.000 0.885 1255 E HN 0.478 nan 8.360 nan 0.000 0.505 1256 G N 1.951 110.757 108.800 0.011 0.000 2.147 1256 G HA2 -0.284 3.676 3.960 0.000 0.000 0.244 1256 G HA3 -0.284 3.676 3.960 0.000 0.000 0.244 1256 G C 0.222 175.116 174.900 -0.010 0.000 1.005 1256 G CA 0.174 45.273 45.100 -0.002 0.000 0.713 1256 G HN 0.253 nan 8.290 nan 0.000 0.515 1257 I N 1.042 121.605 120.570 -0.011 0.000 2.315 1257 I HA 0.443 4.613 4.170 0.000 0.000 0.291 1257 I C 0.995 177.084 176.117 -0.047 0.000 1.006 1257 I CA -1.169 60.117 61.300 -0.024 0.000 1.265 1257 I CB 1.569 39.561 38.000 -0.014 0.000 1.387 1257 I HN 0.144 nan 8.210 nan 0.000 0.475 1258 V N 3.627 123.499 119.914 -0.070 0.000 2.644 1258 V HA 0.934 5.055 4.120 0.000 0.000 0.295 1258 V C 0.058 176.057 176.094 -0.159 0.000 1.053 1258 V CA -0.326 61.913 62.300 -0.101 0.000 0.987 1258 V CB 1.308 33.072 31.823 -0.098 0.000 1.006 1258 V HN 0.832 nan 8.190 nan 0.000 0.472 1259 A N 3.139 125.859 122.820 -0.167 0.000 2.549 1259 A HA 0.984 5.304 4.320 0.000 0.000 0.297 1259 A C -0.392 177.074 177.584 -0.197 0.000 1.061 1259 A CA -0.296 51.618 52.037 -0.204 0.000 0.690 1259 A CB 1.799 20.730 19.000 -0.117 0.000 1.287 1259 A HN 2.340 nan 8.150 nan 0.000 0.402 1260 A N 1.956 124.631 122.820 -0.242 0.000 2.353 1260 A HA 0.741 5.061 4.320 0.000 0.000 0.299 1260 A C 0.022 177.592 177.584 -0.023 0.000 1.089 1260 A CA -0.627 51.340 52.037 -0.117 0.000 0.736 1260 A CB 0.748 19.687 19.000 -0.102 0.000 1.195 1260 A HN 1.217 nan 8.150 nan 0.000 0.447 1261 R N 1.856 122.357 120.500 0.002 0.000 2.608 1261 R HA 0.714 5.054 4.340 0.000 0.000 0.255 1261 R C -0.349 175.976 176.300 0.040 0.000 1.086 1261 R CA -0.773 55.342 56.100 0.025 0.000 1.125 1261 R CB 0.376 30.683 30.300 0.012 0.000 1.193 1261 R HN 0.490 nan 8.270 nan 0.000 0.553 1262 R N -1.083 119.440 120.500 0.037 0.000 3.525 1262 R HA -0.109 4.231 4.340 0.000 0.000 0.276 1262 R C -0.715 175.610 176.300 0.042 0.000 1.116 1262 R CA 0.589 56.709 56.100 0.033 0.000 0.745 1262 R CB -2.653 27.661 30.300 0.023 0.000 1.185 1262 R HN 0.517 nan 8.270 nan 0.000 0.454 1263 V N 1.431 121.383 119.914 0.063 0.000 2.572 1263 V HA 0.066 4.187 4.120 0.000 0.000 0.291 1263 V C 1.427 177.540 176.094 0.031 0.000 1.039 1263 V CA -0.158 62.185 62.300 0.071 0.000 1.055 1263 V CB 1.339 33.240 31.823 0.129 0.000 0.969 1263 V HN 0.138 nan 8.190 nan 0.000 0.482 1264 K N 3.257 123.664 120.400 0.011 0.000 2.382 1264 K HA 0.033 4.353 4.320 0.000 0.000 0.275 1264 K C 1.170 177.763 176.600 -0.013 0.000 1.009 1264 K CA -0.349 55.936 56.287 -0.004 0.000 0.970 1264 K CB 0.556 33.048 32.500 -0.014 0.000 0.934 1264 K HN 0.589 nan 8.250 nan 0.000 0.479 1265 K N 2.045 122.439 120.400 -0.010 0.000 2.074 1265 K HA -0.178 4.142 4.320 0.000 0.000 0.209 1265 K C 1.906 178.490 176.600 -0.027 0.000 1.048 1265 K CA 2.109 58.388 56.287 -0.013 0.000 0.926 1265 K CB -0.561 31.934 32.500 -0.008 0.000 0.713 1265 K HN 0.594 nan 8.250 nan 0.000 0.444 1266 S N 0.271 115.954 115.700 -0.029 0.000 2.359 1266 S HA -0.176 4.295 4.470 0.000 0.000 0.224 1266 S C 1.384 175.949 174.600 -0.059 0.000 1.035 1266 S CA 1.851 60.028 58.200 -0.038 0.000 1.018 1266 S CB -0.521 62.659 63.200 -0.034 0.000 0.876 1266 S HN 0.415 nan 8.310 nan 0.000 0.448 1267 D N 0.780 121.139 120.400 -0.069 0.000 2.144 1267 D HA -0.037 4.604 4.640 0.000 0.000 0.200 1267 D C 2.007 178.215 176.300 -0.154 0.000 0.978 1267 D CA 0.905 54.837 54.000 -0.112 0.000 0.833 1267 D CB -0.263 40.474 40.800 -0.104 0.000 0.961 1267 D HN 0.380 nan 8.370 nan 0.000 0.470 1268 M N 0.489 120.026 119.600 -0.106 0.000 2.159 1268 M HA -0.088 4.393 4.480 0.000 0.000 0.263 1268 M C 1.887 178.133 176.300 -0.089 0.000 1.063 1268 M CA 1.192 56.433 55.300 -0.098 0.000 1.110 1268 M CB -0.746 31.833 32.600 -0.036 0.000 1.374 1268 M HN 0.116 nan 8.290 nan 0.000 0.411 1269 E N 0.052 120.210 120.200 -0.069 0.000 2.072 1269 E HA -0.135 4.216 4.350 0.000 0.000 0.190 1269 E C 2.068 178.628 176.600 -0.067 0.000 0.982 1269 E CA 0.855 57.222 56.400 -0.055 0.000 0.803 1269 E CB 0.006 29.682 29.700 -0.040 0.000 0.755 1269 E HN 0.495 nan 8.360 nan 0.000 0.453 1270 K N 0.629 120.979 120.400 -0.085 0.000 2.097 1270 K HA -0.094 4.227 4.320 0.000 0.000 0.205 1270 K C 2.205 178.739 176.600 -0.109 0.000 1.050 1270 K CA 0.804 57.039 56.287 -0.088 0.000 0.938 1270 K CB -0.075 32.368 32.500 -0.095 0.000 0.718 1270 K HN 0.107 nan 8.250 nan 0.000 0.442 1271 L N 0.469 121.593 121.223 -0.165 0.000 2.056 1271 L HA -0.170 4.170 4.340 0.000 0.000 0.207 1271 L C 2.591 179.392 176.870 -0.114 0.000 1.078 1271 L CA 1.075 55.793 54.840 -0.204 0.000 0.749 1271 L CB -0.543 41.285 42.059 -0.386 0.000 0.901 1271 L HN 0.192 nan 8.230 nan 0.000 0.433 1272 A N 0.092 122.861 122.820 -0.085 0.000 1.902 1272 A HA -0.204 4.116 4.320 0.000 0.000 0.217 1272 A C 2.329 179.895 177.584 -0.030 0.000 1.181 1272 A CA 1.596 53.607 52.037 -0.043 0.000 0.623 1272 A CB -0.297 18.684 19.000 -0.032 0.000 0.818 1272 A HN 0.305 nan 8.150 nan 0.000 0.443 1273 K N -0.379 120.000 120.400 -0.035 0.000 2.025 1273 K HA -0.028 4.292 4.320 0.000 0.000 0.207 1273 K C 2.363 178.954 176.600 -0.015 0.000 1.049 1273 K CA 1.178 57.451 56.287 -0.023 0.000 0.933 1273 K CB -0.294 32.191 32.500 -0.026 0.000 0.714 1273 K HN 0.430 nan 8.250 nan 0.000 0.438 1274 A N 1.129 123.934 122.820 -0.024 0.000 1.854 1274 A HA -0.132 4.188 4.320 0.000 0.000 0.214 1274 A C 2.304 179.889 177.584 0.001 0.000 1.192 1274 A CA 2.101 54.131 52.037 -0.012 0.000 0.611 1274 A CB -1.021 17.963 19.000 -0.027 0.000 0.832 1274 A HN 0.465 nan 8.150 nan 0.000 0.442 1275 T N -4.076 110.473 114.554 -0.008 0.000 3.023 1275 T HA 0.339 4.689 4.350 0.000 0.000 0.266 1275 T C 1.466 176.177 174.700 0.018 0.000 1.093 1275 T CA 1.277 63.383 62.100 0.010 0.000 1.129 1275 T CB -0.252 68.622 68.868 0.011 0.000 0.899 1275 T HN 1.806 nan 8.240 nan 0.000 0.491 1276 G N 1.368 110.175 108.800 0.011 0.000 2.137 1276 G HA2 0.001 3.961 3.960 0.000 0.000 0.237 1276 G HA3 0.001 3.961 3.960 0.000 0.000 0.237 1276 G C 0.210 175.118 174.900 0.014 0.000 1.002 1276 G CA -0.024 45.084 45.100 0.014 0.000 0.702 1276 G HN 1.179 nan 8.290 nan 0.000 0.515 1277 A N -0.378 122.449 122.820 0.012 0.000 2.371 1277 A HA 0.637 4.958 4.320 0.000 0.000 0.257 1277 A C 0.374 177.965 177.584 0.012 0.000 1.089 1277 A CA 0.283 52.332 52.037 0.019 0.000 0.794 1277 A CB 0.521 19.538 19.000 0.028 0.000 1.029 1277 A HN 0.750 nan 8.150 nan 0.000 0.488 1278 N N 1.513 120.224 118.700 0.018 0.000 2.444 1278 N HA 0.366 5.106 4.740 0.000 0.000 0.262 1278 N C -0.913 174.607 175.510 0.017 0.000 0.974 1278 N CA -0.348 52.710 53.050 0.013 0.000 0.933 1278 N CB 1.227 39.722 38.487 0.013 0.000 1.137 1278 N HN 0.286 nan 8.380 nan 0.000 0.498 1279 V N 4.875 124.796 119.914 0.011 0.000 2.485 1279 V HA 0.135 4.255 4.120 0.000 0.000 0.287 1279 V C 0.387 176.490 176.094 0.016 0.000 1.022 1279 V CA -0.009 62.300 62.300 0.015 0.000 1.067 1279 V CB -0.147 31.680 31.823 0.006 0.000 0.967 1279 V HN 0.514 nan 8.190 nan 0.000 0.479 1280 I N 4.062 124.645 120.570 0.021 0.000 2.441 1280 I HA 0.446 4.616 4.170 0.000 0.000 0.295 1280 I C 0.971 177.099 176.117 0.019 0.000 0.994 1280 I CA -0.367 60.944 61.300 0.019 0.000 1.144 1280 I CB 1.379 39.391 38.000 0.020 0.000 1.314 1280 I HN 0.629 nan 8.210 nan 0.000 0.445 1281 A N 5.514 128.343 122.820 0.014 0.000 1.832 1281 A HA 0.310 4.630 4.320 0.000 0.000 0.214 1281 A C 1.147 178.740 177.584 0.014 0.000 1.204 1281 A CA 1.051 53.096 52.037 0.014 0.000 0.606 1281 A CB -0.259 18.748 19.000 0.010 0.000 0.849 1281 A HN 0.731 nan 8.150 nan 0.000 0.445 1282 A N -0.739 122.088 122.820 0.013 0.000 2.309 1282 A HA 0.609 4.929 4.320 0.000 0.000 0.298 1282 A C 0.865 178.456 177.584 0.013 0.000 1.165 1282 A CA -0.538 51.506 52.037 0.012 0.000 0.821 1282 A CB 0.131 19.136 19.000 0.009 0.000 1.102 1282 A HN 0.400 nan 8.150 nan 0.000 0.500 1283 I N 2.002 122.580 120.570 0.013 0.000 2.264 1283 I HA -0.322 3.848 4.170 0.000 0.000 0.248 1283 I C 2.756 178.879 176.117 0.010 0.000 1.111 1283 I CA 1.758 63.067 61.300 0.014 0.000 1.382 1283 I CB -0.245 37.763 38.000 0.013 0.000 1.060 1283 I HN 0.760 nan 8.210 nan 0.000 0.418 1284 A N 0.664 123.488 122.820 0.008 0.000 1.972 1284 A HA -0.154 4.166 4.320 0.000 0.000 0.219 1284 A C 2.482 180.070 177.584 0.006 0.000 1.169 1284 A CA 1.830 53.870 52.037 0.005 0.000 0.635 1284 A CB -0.688 18.314 19.000 0.004 0.000 0.810 1284 A HN 0.449 nan 8.150 nan 0.000 0.446 1285 A N -1.081 121.744 122.820 0.008 0.000 2.066 1285 A HA 0.267 4.587 4.320 0.000 0.000 0.218 1285 A C 1.021 178.611 177.584 0.010 0.000 1.157 1285 A CA 0.367 52.409 52.037 0.008 0.000 0.670 1285 A CB -0.499 18.506 19.000 0.009 0.000 0.804 1285 A HN 0.579 nan 8.150 nan 0.000 0.453 1286 L N 1.879 123.110 121.223 0.012 0.000 2.534 1286 L HA 0.291 4.631 4.340 0.000 0.000 0.271 1286 L C 0.473 177.351 176.870 0.012 0.000 1.178 1286 L CA 0.572 55.421 54.840 0.015 0.000 0.907 1286 L CB 0.235 42.305 42.059 0.018 0.000 1.164 1286 L HN 0.361 nan 8.230 nan 0.000 0.482 1287 S N 3.448 119.156 115.700 0.013 0.000 2.709 1287 S HA 0.792 5.262 4.470 0.000 0.000 0.302 1287 S C 0.879 175.487 174.600 0.014 0.000 1.127 1287 S CA -0.351 57.856 58.200 0.012 0.000 0.905 1287 S CB 1.293 64.499 63.200 0.010 0.000 1.151 1287 S HN 0.807 nan 8.310 nan 0.000 0.510 1288 A N 0.443 123.270 122.820 0.013 0.000 1.972 1288 A HA -0.065 4.255 4.320 0.000 0.000 0.219 1288 A C 2.026 179.620 177.584 0.016 0.000 1.169 1288 A CA 1.249 53.294 52.037 0.014 0.000 0.635 1288 A CB -0.879 18.129 19.000 0.012 0.000 0.810 1288 A HN 0.734 nan 8.150 nan 0.000 0.446 1289 Q N 0.128 119.936 119.800 0.014 0.000 2.437 1289 Q HA -0.094 4.246 4.340 0.000 0.000 0.210 1289 Q C 0.499 176.508 176.000 0.016 0.000 0.972 1289 Q CA 1.011 56.822 55.803 0.014 0.000 0.903 1289 Q CB -0.211 28.534 28.738 0.011 0.000 0.967 1289 Q HN 0.662 nan 8.270 nan 0.000 0.486 1290 D N -0.210 120.200 120.400 0.018 0.000 2.350 1290 D HA 0.081 4.721 4.640 0.000 0.000 0.213 1290 D C 0.403 176.719 176.300 0.026 0.000 1.031 1290 D CA 0.079 54.092 54.000 0.020 0.000 0.861 1290 D CB 0.646 41.458 40.800 0.020 0.000 0.926 1290 D HN 0.199 nan 8.370 nan 0.000 0.520 1291 L N 0.928 122.168 121.223 0.028 0.000 2.349 1291 L HA 0.370 4.710 4.340 0.000 0.000 0.275 1291 L C 1.207 178.098 176.870 0.036 0.000 1.115 1291 L CA -0.462 54.399 54.840 0.036 0.000 0.820 1291 L CB 1.248 43.327 42.059 0.033 0.000 1.135 1291 L HN -0.137 nan 8.230 nan 0.000 0.445 1292 G N 1.292 110.118 108.800 0.044 0.000 2.488 1292 G HA2 0.437 4.397 3.960 0.000 0.000 0.318 1292 G HA3 0.437 4.397 3.960 0.000 0.000 0.318 1292 G C -1.149 173.779 174.900 0.046 0.000 1.188 1292 G CA -0.478 44.646 45.100 0.041 0.000 0.944 1292 G HN 0.538 nan 8.290 nan 0.000 0.495 1293 D N -0.280 120.144 120.400 0.040 0.000 2.350 1293 D HA 0.615 5.256 4.640 0.000 0.000 0.245 1293 D C -0.336 175.988 176.300 0.039 0.000 1.036 1293 D CA 0.047 54.070 54.000 0.039 0.000 0.848 1293 D CB 2.114 42.933 40.800 0.032 0.000 1.307 1293 D HN 0.578 nan 8.370 nan 0.000 0.469 1294 A N 0.383 123.229 122.820 0.043 0.000 2.455 1294 A HA 0.618 4.939 4.320 0.000 0.000 0.300 1294 A C 0.859 178.463 177.584 0.034 0.000 1.040 1294 A CA -0.433 51.629 52.037 0.043 0.000 0.697 1294 A CB 1.711 20.751 19.000 0.067 0.000 1.265 1294 A HN 0.504 nan 8.150 nan 0.000 0.407 1295 G N 0.312 109.126 108.800 0.023 0.000 2.394 1295 G HA2 0.309 4.269 3.960 0.000 0.000 0.215 1295 G HA3 0.309 4.269 3.960 0.000 0.000 0.215 1295 G C 0.304 175.218 174.900 0.023 0.000 1.165 1295 G CA 1.572 46.681 45.100 0.015 0.000 0.784 1295 G HN 1.138 nan 8.290 nan 0.000 0.535 1296 L N 0.271 121.515 121.223 0.035 0.000 2.470 1296 L HA 0.657 4.997 4.340 0.000 0.000 0.268 1296 L C -1.311 175.602 176.870 0.072 0.000 0.964 1296 L CA -0.852 54.013 54.840 0.042 0.000 0.839 1296 L CB 2.547 44.623 42.059 0.029 0.000 1.276 1296 L HN -0.126 nan 8.230 nan 0.000 0.403 1297 V N 4.605 124.564 119.914 0.075 0.000 2.407 1297 V HA 0.649 4.770 4.120 0.000 0.000 0.291 1297 V C -0.515 175.633 176.094 0.089 0.000 1.018 1297 V CA -0.459 61.906 62.300 0.107 0.000 0.842 1297 V CB 1.478 33.367 31.823 0.110 0.000 0.996 1297 V HN 0.833 nan 8.190 nan 0.000 0.426 1298 E N 3.069 123.344 120.200 0.125 0.000 2.321 1298 E HA 0.381 4.732 4.350 0.000 0.000 0.278 1298 E C -1.103 175.589 176.600 0.153 0.000 0.902 1298 E CA -0.661 55.796 56.400 0.095 0.000 0.758 1298 E CB 2.277 32.004 29.700 0.045 0.000 1.213 1298 E HN 0.764 nan 8.360 nan 0.000 0.426 1299 E N 4.221 124.482 120.200 0.102 0.000 2.152 1299 E HA 0.245 4.596 4.350 0.000 0.000 0.285 1299 E C -0.907 175.755 176.600 0.102 0.000 1.043 1299 E CA -0.189 56.282 56.400 0.118 0.000 0.839 1299 E CB 0.670 30.406 29.700 0.060 0.000 1.069 1299 E HN 0.336 nan 8.360 nan 0.000 0.399 1300 R N 3.574 124.180 120.500 0.177 0.000 2.744 1300 R HA 0.393 4.733 4.340 0.000 0.000 0.279 1300 R C -0.796 175.597 176.300 0.154 0.000 0.977 1300 R CA -0.965 55.194 56.100 0.099 0.000 0.906 1300 R CB 1.946 32.199 30.300 -0.079 0.000 1.197 1300 R HN 0.331 nan 8.270 nan 0.000 0.463 1301 K N 2.317 122.765 120.400 0.080 0.000 2.234 1301 K HA 0.387 4.708 4.320 0.000 0.000 0.277 1301 K C -0.509 176.141 176.600 0.084 0.000 1.038 1301 K CA -0.500 55.834 56.287 0.078 0.000 0.888 1301 K CB 1.038 33.562 32.500 0.040 0.000 1.091 1301 K HN 0.258 nan 8.250 nan 0.000 0.467 1302 I N 2.641 123.276 120.570 0.108 0.000 2.359 1302 I HA 0.066 4.236 4.170 0.000 0.000 0.284 1302 I C 0.136 176.288 176.117 0.059 0.000 1.018 1302 I CA -0.284 61.076 61.300 0.100 0.000 1.173 1302 I CB 0.683 38.775 38.000 0.153 0.000 1.326 1302 I HN 0.685 nan 8.210 nan 0.000 0.462 1303 S N 4.627 120.352 115.700 0.041 0.000 3.587 1303 S HA -0.195 4.275 4.470 0.000 0.000 0.337 1303 S C 1.336 175.949 174.600 0.022 0.000 1.119 1303 S CA 1.131 59.346 58.200 0.026 0.000 0.976 1303 S CB -1.227 61.987 63.200 0.023 0.000 0.922 1303 S HN 1.333 nan 8.310 nan 0.000 0.503 1304 G N 0.368 109.183 108.800 0.026 0.000 2.420 1304 G HA2 -0.258 3.703 3.960 0.000 0.000 0.221 1304 G HA3 -0.258 3.703 3.960 0.000 0.000 0.221 1304 G C -0.379 174.537 174.900 0.027 0.000 1.117 1304 G CA 0.062 45.175 45.100 0.021 0.000 0.657 1304 G HN 0.597 nan 8.290 nan 0.000 0.512 1305 D N 1.665 122.083 120.400 0.030 0.000 2.417 1305 D HA 0.425 5.065 4.640 0.000 0.000 0.250 1305 D C 0.451 176.781 176.300 0.049 0.000 1.166 1305 D CA 0.765 54.783 54.000 0.031 0.000 0.881 1305 D CB 1.532 42.345 40.800 0.023 0.000 1.164 1305 D HN 0.261 nan 8.370 nan 0.000 0.467 1306 S N 3.005 118.731 115.700 0.043 0.000 2.505 1306 S HA 0.385 4.856 4.470 0.000 0.000 0.276 1306 S C -0.220 174.417 174.600 0.061 0.000 1.274 1306 S CA -0.401 57.835 58.200 0.059 0.000 1.053 1306 S CB 0.076 63.300 63.200 0.041 0.000 0.919 1306 S HN 0.310 nan 8.310 nan 0.000 0.490 1307 M N 4.497 124.157 119.600 0.100 0.000 2.593 1307 M HA 0.524 5.004 4.480 0.000 0.000 0.290 1307 M C -1.127 175.241 176.300 0.113 0.000 1.244 1307 M CA -0.610 54.721 55.300 0.053 0.000 0.857 1307 M CB 2.173 34.752 32.600 -0.035 0.000 1.738 1307 M HN 0.432 nan 8.290 nan 0.000 0.461 1308 I N 1.724 122.316 120.570 0.036 0.000 2.339 1308 I HA 0.364 4.534 4.170 0.000 0.000 0.290 1308 I C -1.283 174.840 176.117 0.011 0.000 0.994 1308 I CA -0.375 61.001 61.300 0.126 0.000 1.191 1308 I CB 0.897 39.001 38.000 0.173 0.000 1.343 1308 I HN 0.437 nan 8.210 nan 0.000 0.458 1309 F N 5.877 125.864 119.950 0.061 0.000 2.405 1309 F HA 0.358 4.886 4.527 0.000 0.000 0.355 1309 F C 0.195 176.030 175.800 0.058 0.000 1.121 1309 F CA -0.667 57.361 58.000 0.046 0.000 1.112 1309 F CB 1.361 40.377 39.000 0.027 0.000 1.126 1309 F HN 0.031 nan 8.300 nan 0.000 0.481 1310 V N 4.396 124.408 119.914 0.163 0.000 2.275 1310 V HA 0.342 4.462 4.120 0.000 0.000 0.272 1310 V C -0.314 175.840 176.094 0.100 0.000 1.028 1310 V CA -0.548 61.825 62.300 0.122 0.000 0.810 1310 V CB 0.319 32.182 31.823 0.066 0.000 1.043 1310 V HN 0.831 nan 8.190 nan 0.000 0.453 1311 E N 2.810 123.074 120.200 0.107 0.000 2.423 1311 E HA 0.655 5.005 4.350 0.000 0.000 0.269 1311 E C -0.640 175.988 176.600 0.047 0.000 0.948 1311 E CA -0.897 55.552 56.400 0.081 0.000 0.802 1311 E CB 1.501 31.264 29.700 0.106 0.000 1.339 1311 E HN 0.153 nan 8.360 nan 0.000 0.445 1312 E N -1.232 118.984 120.200 0.026 0.000 2.868 1312 E HA -0.161 4.190 4.350 0.000 0.000 0.278 1312 E C -0.633 175.960 176.600 -0.010 0.000 1.009 1312 E CA 0.677 57.079 56.400 0.003 0.000 0.856 1312 E CB -2.439 27.263 29.700 0.004 0.000 1.428 1312 E HN 0.566 nan 8.360 nan 0.000 0.423 1313 C N 0.772 120.068 119.300 -0.007 0.000 2.652 1313 C HA 0.109 4.569 4.460 0.000 0.000 0.412 1313 C C 2.283 177.230 174.990 -0.072 0.000 1.294 1313 C CA -0.224 58.783 59.018 -0.018 0.000 2.127 1313 C CB 0.548 28.289 27.740 0.001 0.000 2.691 1313 C HN 0.354 nan 8.230 nan 0.000 0.615 1314 K N 0.585 120.924 120.400 -0.103 0.000 1.978 1314 K HA -0.098 4.222 4.320 0.000 0.000 0.214 1314 K C 0.405 176.704 176.600 -0.502 0.000 1.049 1314 K CA 1.390 57.508 56.287 -0.282 0.000 0.939 1314 K CB -0.077 32.302 32.500 -0.201 0.000 0.721 1314 K HN 0.689 nan 8.250 nan 0.000 0.441 1315 H N 0.144 119.218 119.070 0.008 0.000 2.488 1315 H HA 0.235 4.791 4.556 0.000 0.000 0.237 1315 H C -2.499 172.832 175.328 0.004 0.000 1.395 1315 H CA -1.962 54.089 56.048 0.006 0.000 1.491 1315 H CB 0.712 30.477 29.762 0.004 0.000 1.567 1315 H HN 0.193 nan 8.280 nan 0.000 0.508 1316 P HA 0.112 nan 4.420 nan 0.000 0.271 1316 P C 0.309 177.636 177.300 0.045 0.000 1.218 1316 P CA -0.457 62.668 63.100 0.042 0.000 0.780 1316 P CB 1.830 33.543 31.700 0.020 0.000 0.901 1317 K N 0.382 120.798 120.400 0.026 0.000 2.358 1317 K HA 0.453 4.773 4.320 0.000 0.000 0.200 1317 K C 0.276 176.879 176.600 0.005 0.000 1.030 1317 K CA 0.058 56.356 56.287 0.018 0.000 1.097 1317 K CB 0.685 33.192 32.500 0.012 0.000 0.862 1317 K HN 0.556 nan 8.250 nan 0.000 0.534 1318 A N 0.421 123.241 122.820 0.001 0.000 2.486 1318 A HA 0.679 4.999 4.320 0.000 0.000 0.300 1318 A C -0.944 176.636 177.584 -0.006 0.000 1.048 1318 A CA -0.777 51.254 52.037 -0.009 0.000 0.696 1318 A CB 1.259 20.245 19.000 -0.024 0.000 1.278 1318 A HN -0.011 nan 8.150 nan 0.000 0.405 1319 V N -1.246 118.664 119.914 -0.007 0.000 3.074 1319 V HA 0.973 5.093 4.120 0.000 0.000 0.314 1319 V C -0.405 175.682 176.094 -0.011 0.000 1.117 1319 V CA -0.590 61.708 62.300 -0.002 0.000 1.014 1319 V CB 1.673 33.499 31.823 0.006 0.000 1.057 1319 V HN 0.875 nan 8.190 nan 0.000 0.438 1320 T N 3.610 118.160 114.554 -0.006 0.000 2.848 1320 T HA 0.548 4.899 4.350 0.000 0.000 0.285 1320 T C -0.595 174.106 174.700 0.002 0.000 0.995 1320 T CA -0.230 61.861 62.100 -0.016 0.000 0.970 1320 T CB 1.431 70.273 68.868 -0.043 0.000 0.976 1320 T HN 0.949 nan 8.240 nan 0.000 0.441 1321 M N 4.595 124.193 119.600 -0.003 0.000 2.066 1321 M HA 0.500 4.981 4.480 0.000 0.000 0.340 1321 M C -1.309 174.994 176.300 0.007 0.000 1.053 1321 M CA -0.797 54.508 55.300 0.007 0.000 0.983 1321 M CB 0.397 33.000 32.600 0.005 0.000 1.520 1321 M HN 0.524 nan 8.290 nan 0.000 0.428 1322 L N 6.963 128.200 121.223 0.023 0.000 2.261 1322 L HA 0.472 4.813 4.340 0.000 0.000 0.289 1322 L C -0.993 175.893 176.870 0.027 0.000 1.059 1322 L CA -0.387 54.470 54.840 0.028 0.000 0.816 1322 L CB 0.509 42.609 42.059 0.068 0.000 1.191 1322 L HN 0.743 nan 8.230 nan 0.000 0.431 1323 I N 5.648 126.228 120.570 0.016 0.000 2.325 1323 I HA 0.324 4.494 4.170 0.000 0.000 0.291 1323 I C 0.191 176.318 176.117 0.016 0.000 1.019 1323 I CA -0.301 61.008 61.300 0.015 0.000 1.302 1323 I CB 0.882 38.887 38.000 0.008 0.000 1.401 1323 I HN 0.588 nan 8.210 nan 0.000 0.485 1324 R N 3.954 124.466 120.500 0.019 0.000 2.828 1324 R HA 0.899 5.239 4.340 0.000 0.000 0.264 1324 R C -0.321 175.988 176.300 0.015 0.000 1.022 1324 R CA -0.990 55.120 56.100 0.018 0.000 1.021 1324 R CB 2.241 32.554 30.300 0.022 0.000 1.163 1324 R HN 0.829 nan 8.270 nan 0.000 0.494 1325 G N -0.730 108.078 108.800 0.014 0.000 2.340 1325 G HA2 0.036 3.996 3.960 0.000 0.000 0.298 1325 G HA3 0.036 3.996 3.960 0.000 0.000 0.298 1325 G C 0.002 174.911 174.900 0.014 0.000 1.498 1325 G CA -0.681 44.428 45.100 0.015 0.000 0.847 1325 G HN 0.401 nan 8.290 nan 0.000 0.594 1326 T N 0.365 114.930 114.554 0.017 0.000 2.915 1326 T HA 0.180 4.530 4.350 0.000 0.000 0.269 1326 T C 0.904 175.615 174.700 0.019 0.000 1.071 1326 T CA 2.005 64.115 62.100 0.018 0.000 1.132 1326 T CB -0.148 68.733 68.868 0.021 0.000 0.878 1326 T HN 0.666 nan 8.240 nan 0.000 0.479 1327 T N -0.049 114.518 114.554 0.022 0.000 2.894 1327 T HA 0.298 4.648 4.350 0.000 0.000 0.309 1327 T C 0.614 175.310 174.700 -0.006 0.000 1.208 1327 T CA -0.740 61.371 62.100 0.018 0.000 1.016 1327 T CB 2.679 71.582 68.868 0.059 0.000 1.192 1327 T HN -0.082 nan 8.240 nan 0.000 0.491 1328 E N 0.750 120.908 120.200 -0.069 0.000 2.070 1328 E HA -0.224 4.126 4.350 0.000 0.000 0.197 1328 E C 1.631 178.149 176.600 -0.138 0.000 1.004 1328 E CA 1.942 58.259 56.400 -0.140 0.000 0.805 1328 E CB -0.127 29.428 29.700 -0.243 0.000 0.744 1328 E HN 0.630 nan 8.360 nan 0.000 0.451 1329 H N -0.805 118.268 119.070 0.005 0.000 2.456 1329 H HA -0.048 4.508 4.556 0.000 0.000 0.296 1329 H C 2.129 177.460 175.328 0.005 0.000 1.079 1329 H CA 1.408 57.459 56.048 0.004 0.000 1.322 1329 H CB -0.081 29.683 29.762 0.004 0.000 1.388 1329 H HN 0.134 nan 8.280 nan 0.000 0.538 1330 V N 1.942 121.921 119.914 0.110 0.000 2.346 1330 V HA -0.186 3.934 4.120 0.000 0.000 0.244 1330 V C 2.663 178.781 176.094 0.040 0.000 1.037 1330 V CA 1.593 63.933 62.300 0.066 0.000 1.029 1330 V CB -0.483 31.370 31.823 0.049 0.000 0.663 1330 V HN 0.405 nan 8.190 nan 0.000 0.454 1331 I N -1.653 118.931 120.570 0.023 0.000 2.830 1331 I HA -0.087 4.083 4.170 0.000 0.000 0.263 1331 I C 2.075 178.199 176.117 0.010 0.000 1.230 1331 I CA 1.425 62.733 61.300 0.012 0.000 1.480 1331 I CB -0.542 37.459 38.000 0.001 0.000 1.095 1331 I HN 0.307 nan 8.210 nan 0.000 0.455 1332 E N 1.371 121.580 120.200 0.015 0.000 2.072 1332 E HA -0.193 4.157 4.350 0.000 0.000 0.190 1332 E C 2.092 178.710 176.600 0.030 0.000 0.982 1332 E CA 0.921 57.333 56.400 0.020 0.000 0.803 1332 E CB -0.115 29.604 29.700 0.031 0.000 0.755 1332 E HN 0.496 nan 8.360 nan 0.000 0.453 1333 E N 1.049 121.273 120.200 0.041 0.000 2.153 1333 E HA -0.150 4.200 4.350 0.000 0.000 0.194 1333 E C 2.059 178.674 176.600 0.026 0.000 0.988 1333 E CA 0.827 57.248 56.400 0.035 0.000 0.811 1333 E CB 0.215 29.939 29.700 0.039 0.000 0.746 1333 E HN 0.088 nan 8.360 nan 0.000 0.466 1334 V N 1.233 121.161 119.914 0.023 0.000 2.379 1334 V HA -0.169 3.951 4.120 0.000 0.000 0.245 1334 V C 2.625 178.728 176.094 0.014 0.000 1.044 1334 V CA 1.494 63.805 62.300 0.018 0.000 1.036 1334 V CB -0.805 31.028 31.823 0.017 0.000 0.664 1334 V HN 0.333 nan 8.190 nan 0.000 0.453 1335 A N 0.589 123.416 122.820 0.012 0.000 1.940 1335 A HA -0.278 4.043 4.320 0.000 0.000 0.219 1335 A C 2.309 179.899 177.584 0.009 0.000 1.176 1335 A CA 2.329 54.371 52.037 0.008 0.000 0.631 1335 A CB -0.498 18.504 19.000 0.004 0.000 0.814 1335 A HN 0.463 nan 8.150 nan 0.000 0.446 1336 R N 0.053 120.561 120.500 0.012 0.000 2.090 1336 R HA 0.096 4.436 4.340 0.000 0.000 0.228 1336 R C 2.139 178.446 176.300 0.013 0.000 1.110 1336 R CA 1.755 57.863 56.100 0.012 0.000 0.973 1336 R CB -0.944 29.365 30.300 0.015 0.000 0.869 1336 R HN 0.360 nan 8.270 nan 0.000 0.440 1337 A N 0.309 123.138 122.820 0.015 0.000 1.883 1337 A HA -0.143 4.177 4.320 0.000 0.000 0.217 1337 A C 2.188 179.780 177.584 0.013 0.000 1.186 1337 A CA 2.100 54.147 52.037 0.016 0.000 0.624 1337 A CB -0.984 18.027 19.000 0.018 0.000 0.822 1337 A HN 0.327 nan 8.150 nan 0.000 0.444 1338 V N -2.315 117.606 119.914 0.011 0.000 3.041 1338 V HA -0.077 4.044 4.120 0.000 0.000 0.260 1338 V C 1.852 177.950 176.094 0.007 0.000 1.105 1338 V CA 2.179 64.484 62.300 0.009 0.000 1.125 1338 V CB -0.666 31.162 31.823 0.007 0.000 0.730 1338 V HN 0.422 nan 8.190 nan 0.000 0.479 1339 D N 1.357 121.761 120.400 0.007 0.000 2.123 1339 D HA -0.196 4.444 4.640 0.000 0.000 0.196 1339 D C 1.815 178.119 176.300 0.006 0.000 0.992 1339 D CA 1.908 55.911 54.000 0.005 0.000 0.833 1339 D CB -0.166 40.637 40.800 0.005 0.000 0.954 1339 D HN 0.554 nan 8.370 nan 0.000 0.455 1340 D N -0.488 119.917 120.400 0.008 0.000 2.183 1340 D HA 0.017 4.657 4.640 0.000 0.000 0.205 1340 D C 1.952 178.258 176.300 0.009 0.000 0.962 1340 D CA 0.967 54.973 54.000 0.009 0.000 0.849 1340 D CB -0.184 40.623 40.800 0.011 0.000 0.978 1340 D HN 0.244 nan 8.370 nan 0.000 0.488 1341 A N 1.061 123.887 122.820 0.010 0.000 1.877 1341 A HA -0.135 4.185 4.320 0.000 0.000 0.216 1341 A C 2.385 179.973 177.584 0.007 0.000 1.186 1341 A CA 1.183 53.225 52.037 0.009 0.000 0.620 1341 A CB -0.879 18.127 19.000 0.009 0.000 0.822 1341 A HN 0.170 nan 8.150 nan 0.000 0.443 1342 V N -0.061 119.856 119.914 0.006 0.000 2.759 1342 V HA -0.059 4.061 4.120 0.000 0.000 0.256 1342 V C 2.315 178.412 176.094 0.004 0.000 1.080 1342 V CA 2.056 64.359 62.300 0.005 0.000 1.101 1342 V CB -0.650 31.175 31.823 0.003 0.000 0.698 1342 V HN 0.571 nan 8.190 nan 0.000 0.477 1343 G N -0.115 108.688 108.800 0.005 0.000 2.394 1343 G HA2 -0.179 3.782 3.960 0.000 0.000 0.214 1343 G HA3 -0.179 3.782 3.960 0.000 0.000 0.214 1343 G C 1.626 176.529 174.900 0.006 0.000 1.176 1343 G CA 1.365 46.468 45.100 0.005 0.000 0.786 1343 G HN 0.670 nan 8.290 nan 0.000 0.533 1344 V N -1.279 118.639 119.914 0.007 0.000 2.871 1344 V HA 0.023 4.143 4.120 0.000 0.000 0.256 1344 V C 2.585 178.683 176.094 0.007 0.000 1.082 1344 V CA 1.147 63.452 62.300 0.008 0.000 1.105 1344 V CB -0.304 31.524 31.823 0.009 0.000 0.713 1344 V HN 0.118 nan 8.190 nan 0.000 0.473 1345 V N 2.015 121.933 119.914 0.006 0.000 2.379 1345 V HA 0.002 4.122 4.120 0.000 0.000 0.245 1345 V C 2.903 179.000 176.094 0.005 0.000 1.044 1345 V CA 2.117 64.420 62.300 0.005 0.000 1.036 1345 V CB -1.269 30.557 31.823 0.005 0.000 0.664 1345 V HN 0.604 nan 8.190 nan 0.000 0.453 1346 G N -1.068 107.735 108.800 0.005 0.000 2.418 1346 G HA2 -0.259 3.701 3.960 0.000 0.000 0.217 1346 G HA3 -0.259 3.701 3.960 0.000 0.000 0.217 1346 G C 1.731 176.634 174.900 0.005 0.000 1.158 1346 G CA 1.344 46.447 45.100 0.004 0.000 0.771 1346 G HN 0.529 nan 8.290 nan 0.000 0.545 1347 C N 0.519 119.823 119.300 0.006 0.000 2.429 1347 C HA -0.006 4.454 4.460 0.000 0.000 0.277 1347 C C 3.219 178.213 174.990 0.007 0.000 1.262 1347 C CA 1.495 60.517 59.018 0.006 0.000 1.733 1347 C CB -0.982 26.762 27.740 0.007 0.000 2.010 1347 C HN 0.430 nan 8.230 nan 0.000 0.483 1348 T N 1.189 115.747 114.554 0.007 0.000 2.867 1348 T HA -0.045 4.305 4.350 0.000 0.000 0.268 1348 T C 1.571 176.275 174.700 0.006 0.000 1.057 1348 T CA 1.170 63.274 62.100 0.006 0.000 1.136 1348 T CB -0.224 68.647 68.868 0.006 0.000 0.874 1348 T HN 0.507 nan 8.240 nan 0.000 0.466 1349 I N 0.629 121.202 120.570 0.005 0.000 2.406 1349 I HA -0.061 4.109 4.170 0.000 0.000 0.249 1349 I C 2.502 178.622 176.117 0.004 0.000 1.122 1349 I CA 1.199 62.501 61.300 0.004 0.000 1.431 1349 I CB -0.212 37.790 38.000 0.004 0.000 1.087 1349 I HN 0.262 nan 8.210 nan 0.000 0.424 1350 E N -0.224 119.979 120.200 0.005 0.000 2.230 1350 E HA -0.113 4.237 4.350 0.000 0.000 0.192 1350 E C 0.259 176.862 176.600 0.006 0.000 0.987 1350 E CA 0.508 56.910 56.400 0.005 0.000 0.841 1350 E CB 0.258 29.961 29.700 0.005 0.000 0.783 1350 E HN 0.198 nan 8.360 nan 0.000 0.481 1351 D N -0.637 119.766 120.400 0.006 0.000 2.473 1351 D HA 0.136 4.777 4.640 0.000 0.000 0.253 1351 D C 0.085 176.389 176.300 0.007 0.000 1.233 1351 D CA -0.492 53.512 54.000 0.007 0.000 0.908 1351 D CB 1.362 42.167 40.800 0.009 0.000 1.170 1351 D HN 0.029 nan 8.370 nan 0.000 0.558 1352 G N 3.411 112.215 108.800 0.007 0.000 3.327 1352 G HA2 0.024 3.984 3.960 0.000 0.000 0.240 1352 G HA3 0.024 3.984 3.960 0.000 0.000 0.240 1352 G C 0.470 175.375 174.900 0.008 0.000 1.222 1352 G CA -0.257 44.847 45.100 0.007 0.000 0.871 1352 G HN 0.168 nan 8.290 nan 0.000 0.525 1353 R N 0.606 121.112 120.500 0.010 0.000 2.387 1353 R HA 0.561 4.901 4.340 0.000 0.000 0.314 1353 R C -0.148 176.159 176.300 0.012 0.000 0.958 1353 R CA -0.577 55.529 56.100 0.011 0.000 0.846 1353 R CB 1.514 31.822 30.300 0.013 0.000 1.147 1353 R HN 0.403 nan 8.270 nan 0.000 0.447 1354 I N -1.133 119.445 120.570 0.012 0.000 3.002 1354 I HA 0.800 4.970 4.170 0.000 0.000 0.310 1354 I C -0.153 175.974 176.117 0.016 0.000 1.087 1354 I CA -1.322 59.986 61.300 0.013 0.000 1.017 1354 I CB 2.450 40.456 38.000 0.012 0.000 1.226 1354 I HN 0.292 nan 8.210 nan 0.000 0.443 1355 V N -0.301 119.624 119.914 0.017 0.000 3.130 1355 V HA 0.689 4.809 4.120 0.000 0.000 0.310 1355 V C 0.110 176.217 176.094 0.022 0.000 1.158 1355 V CA -0.532 61.780 62.300 0.021 0.000 1.029 1355 V CB 1.239 33.077 31.823 0.023 0.000 1.057 1355 V HN 1.040 nan 8.190 nan 0.000 0.436 1356 S N 1.295 117.011 115.700 0.027 0.000 2.562 1356 S HA 0.653 5.123 4.470 0.000 0.000 0.281 1356 S C 0.486 175.105 174.600 0.032 0.000 1.333 1356 S CA 0.194 58.412 58.200 0.031 0.000 1.052 1356 S CB 0.724 63.946 63.200 0.037 0.000 0.884 1356 S HN 1.836 nan 8.310 nan 0.000 0.506 1357 G N 0.361 109.180 108.800 0.032 0.000 2.641 1357 G HA2 0.570 4.531 3.960 0.000 0.000 0.239 1357 G HA3 0.570 4.531 3.960 0.000 0.000 0.239 1357 G C 0.844 175.764 174.900 0.034 0.000 1.402 1357 G CA -0.594 44.524 45.100 0.030 0.000 1.046 1357 G HN 2.041 nan 8.290 nan 0.000 0.565 1358 G N -2.115 106.703 108.800 0.031 0.000 2.160 1358 G HA2 0.252 4.212 3.960 0.000 0.000 0.251 1358 G HA3 0.252 4.212 3.960 0.000 0.000 0.251 1358 G C 1.439 176.344 174.900 0.009 0.000 1.008 1358 G CA 1.102 46.219 45.100 0.028 0.000 0.724 1358 G HN 2.495 nan 8.290 nan 0.000 0.514 1359 G N -1.321 107.476 108.800 -0.006 0.000 2.159 1359 G HA2 -0.111 3.849 3.960 0.000 0.000 0.256 1359 G HA3 -0.111 3.849 3.960 0.000 0.000 0.256 1359 G C 1.511 176.384 174.900 -0.045 0.000 0.977 1359 G CA 1.698 46.778 45.100 -0.034 0.000 0.652 1359 G HN 2.011 nan 8.290 nan 0.000 0.531 1360 S N 0.047 115.749 115.700 0.005 0.000 2.370 1360 S HA -0.164 4.307 4.470 0.000 0.000 0.226 1360 S C 2.778 177.389 174.600 0.018 0.000 1.033 1360 S CA 2.759 60.992 58.200 0.055 0.000 1.011 1360 S CB -0.547 62.727 63.200 0.123 0.000 0.852 1360 S HN 1.394 nan 8.310 nan 0.000 0.457 1361 T N -0.431 114.127 114.554 0.006 0.000 2.668 1361 T HA -0.030 4.320 4.350 0.000 0.000 0.262 1361 T C 1.632 176.301 174.700 -0.052 0.000 1.045 1361 T CA 1.512 63.611 62.100 -0.000 0.000 1.152 1361 T CB -0.905 67.965 68.868 0.003 0.000 0.864 1361 T HN 0.335 nan 8.240 nan 0.000 0.419 1362 E N 0.920 121.075 120.200 -0.075 0.000 2.171 1362 E HA -0.054 4.296 4.350 0.000 0.000 0.197 1362 E C 2.271 178.779 176.600 -0.153 0.000 0.997 1362 E CA 0.860 57.195 56.400 -0.108 0.000 0.810 1362 E CB -0.770 28.863 29.700 -0.111 0.000 0.738 1362 E HN 0.449 nan 8.360 nan 0.000 0.467 1363 V N 0.379 120.159 119.914 -0.223 0.000 2.453 1363 V HA -0.180 3.940 4.120 0.000 0.000 0.247 1363 V C 2.233 178.089 176.094 -0.397 0.000 1.048 1363 V CA 1.688 63.772 62.300 -0.361 0.000 1.049 1363 V CB -0.364 31.119 31.823 -0.566 0.000 0.672 1363 V HN 0.198 nan 8.190 nan 0.000 0.457 1364 E N 0.715 120.721 120.200 -0.322 0.000 2.110 1364 E HA -0.177 4.173 4.350 0.000 0.000 0.193 1364 E C 2.012 178.583 176.600 -0.050 0.000 0.988 1364 E CA 1.478 57.867 56.400 -0.018 0.000 0.804 1364 E CB -0.393 29.395 29.700 0.145 0.000 0.745 1364 E HN 0.553 nan 8.360 nan 0.000 0.458 1365 L N -0.119 121.061 121.223 -0.070 0.000 2.056 1365 L HA -0.130 4.211 4.340 0.000 0.000 0.207 1365 L C 2.623 179.444 176.870 -0.082 0.000 1.078 1365 L CA 1.297 56.100 54.840 -0.061 0.000 0.749 1365 L CB -0.648 41.394 42.059 -0.027 0.000 0.901 1365 L HN 0.175 nan 8.230 nan 0.000 0.433 1366 S N -0.298 115.343 115.700 -0.099 0.000 2.359 1366 S HA -0.217 4.253 4.470 0.000 0.000 0.224 1366 S C 2.133 176.681 174.600 -0.086 0.000 1.035 1366 S CA 1.318 59.464 58.200 -0.090 0.000 1.018 1366 S CB -0.016 63.120 63.200 -0.107 0.000 0.876 1366 S HN 0.213 nan 8.310 nan 0.000 0.448 1367 M N 0.987 120.533 119.600 -0.091 0.000 2.067 1367 M HA 0.012 4.493 4.480 0.000 0.000 0.260 1367 M C 2.162 178.387 176.300 -0.124 0.000 1.069 1367 M CA 1.497 56.756 55.300 -0.068 0.000 1.117 1367 M CB -1.119 31.474 32.600 -0.011 0.000 1.334 1367 M HN 0.241 nan 8.290 nan 0.000 0.407 1368 K N 0.329 120.608 120.400 -0.202 0.000 2.116 1368 K HA 0.085 4.405 4.320 0.000 0.000 0.203 1368 K C 2.075 178.219 176.600 -0.761 0.000 1.052 1368 K CA 0.866 56.884 56.287 -0.449 0.000 0.952 1368 K CB -0.439 31.793 32.500 -0.446 0.000 0.729 1368 K HN 0.375 nan 8.250 nan 0.000 0.446 1369 L N 0.292 121.261 121.223 -0.424 0.000 2.313 1369 L HA -0.027 4.314 4.340 0.000 0.000 0.214 1369 L C 2.405 179.248 176.870 -0.046 0.000 1.119 1369 L CA 0.618 55.331 54.840 -0.211 0.000 0.809 1369 L CB -0.204 41.857 42.059 0.004 0.000 0.933 1369 L HN 0.098 nan 8.230 nan 0.000 0.449 1370 R N 0.196 120.657 120.500 -0.065 0.000 2.092 1370 R HA -0.138 4.202 4.340 0.000 0.000 0.231 1370 R C 2.068 178.381 176.300 0.022 0.000 1.119 1370 R CA 1.254 57.351 56.100 -0.005 0.000 0.970 1370 R CB -0.121 30.171 30.300 -0.014 0.000 0.864 1370 R HN 0.427 nan 8.270 nan 0.000 0.440 1371 E N -0.471 119.722 120.200 -0.012 0.000 2.107 1371 E HA -0.159 4.192 4.350 0.000 0.000 0.191 1371 E C 1.621 178.354 176.600 0.222 0.000 0.982 1371 E CA 0.844 57.286 56.400 0.070 0.000 0.809 1371 E CB 0.013 29.741 29.700 0.046 0.000 0.756 1371 E HN 0.323 nan 8.360 nan 0.000 0.459 1372 Y N 0.619 120.936 120.300 0.028 0.000 2.200 1372 Y HA -0.103 4.447 4.550 0.000 0.000 0.290 1372 Y C 2.417 178.331 175.900 0.024 0.000 1.137 1372 Y CA 0.626 58.740 58.100 0.024 0.000 1.163 1372 Y CB -1.136 37.339 38.460 0.025 0.000 0.988 1372 Y HN 0.030 nan 8.280 nan 0.000 0.518 1373 A N 0.280 123.219 122.820 0.199 0.000 1.908 1373 A HA -0.173 4.147 4.320 0.000 0.000 0.218 1373 A C 2.182 179.819 177.584 0.089 0.000 1.181 1373 A CA 1.735 53.845 52.037 0.121 0.000 0.627 1373 A CB -0.445 18.615 19.000 0.100 0.000 0.818 1373 A HN 0.328 nan 8.150 nan 0.000 0.445 1374 E N -0.506 119.747 120.200 0.088 0.000 2.110 1374 E HA -0.129 4.222 4.350 0.000 0.000 0.193 1374 E C 2.154 178.789 176.600 0.059 0.000 0.988 1374 E CA 1.159 57.597 56.400 0.065 0.000 0.804 1374 E CB -0.646 29.090 29.700 0.060 0.000 0.745 1374 E HN 0.600 nan 8.360 nan 0.000 0.458 1375 G N 1.060 109.905 108.800 0.074 0.000 2.403 1375 G HA2 -0.163 3.797 3.960 0.000 0.000 0.216 1375 G HA3 -0.163 3.797 3.960 0.000 0.000 0.216 1375 G C 1.757 176.674 174.900 0.027 0.000 1.154 1375 G CA 0.305 45.433 45.100 0.046 0.000 0.784 1375 G HN 0.156 nan 8.290 nan 0.000 0.538 1376 I N -0.114 120.479 120.570 0.037 0.000 2.202 1376 I HA -0.030 4.140 4.170 0.000 0.000 0.242 1376 I C 1.752 177.882 176.117 0.021 0.000 1.091 1376 I CA 0.823 62.137 61.300 0.023 0.000 1.368 1376 I CB -0.307 37.714 38.000 0.036 0.000 1.058 1376 I HN 0.320 nan 8.210 nan 0.000 0.410 1377 S N -1.178 114.540 115.700 0.030 0.000 3.513 1377 S HA -0.130 4.340 4.470 0.000 0.000 0.636 1377 S C 0.509 175.121 174.600 0.020 0.000 2.452 1377 S CA 0.834 59.049 58.200 0.025 0.000 2.644 1377 S CB -1.397 61.814 63.200 0.018 0.000 0.331 1377 S HN 1.408 nan 8.310 nan 0.000 1.787 1378 G N 0.756 109.566 108.800 0.016 0.000 2.552 1378 G HA2 -0.298 3.662 3.960 0.000 0.000 0.265 1378 G HA3 -0.298 3.662 3.960 0.000 0.000 0.265 1378 G C 0.321 175.231 174.900 0.016 0.000 1.234 1378 G CA 0.971 46.078 45.100 0.012 0.000 0.944 1378 G HN 1.112 nan 8.290 nan 0.000 0.568 1379 R N 0.502 121.010 120.500 0.013 0.000 2.210 1379 R HA 0.146 4.486 4.340 0.000 0.000 0.203 1379 R C 2.488 178.800 176.300 0.020 0.000 1.010 1379 R CA 1.102 57.212 56.100 0.017 0.000 1.008 1379 R CB -0.064 30.244 30.300 0.013 0.000 0.923 1379 R HN 0.707 nan 8.270 nan 0.000 0.469 1380 E N 1.191 121.401 120.200 0.017 0.000 2.160 1380 E HA -0.260 4.091 4.350 0.000 0.000 0.195 1380 E C 1.869 178.494 176.600 0.043 0.000 0.991 1380 E CA 1.535 57.947 56.400 0.020 0.000 0.810 1380 E CB 0.045 29.751 29.700 0.011 0.000 0.742 1380 E HN 0.379 nan 8.360 nan 0.000 0.466 1381 Q N 0.813 120.639 119.800 0.045 0.000 2.291 1381 Q HA -0.112 4.228 4.340 0.000 0.000 0.205 1381 Q C 1.936 177.979 176.000 0.073 0.000 0.970 1381 Q CA 1.102 56.942 55.803 0.061 0.000 0.876 1381 Q CB -0.355 28.414 28.738 0.052 0.000 0.935 1381 Q HN 0.299 nan 8.270 nan 0.000 0.455 1382 L N -0.327 120.934 121.223 0.063 0.000 2.072 1382 L HA 0.028 4.368 4.340 0.000 0.000 0.205 1382 L C 2.285 179.217 176.870 0.102 0.000 1.079 1382 L CA 1.106 55.987 54.840 0.069 0.000 0.752 1382 L CB -0.479 41.609 42.059 0.048 0.000 0.906 1382 L HN 0.438 nan 8.230 nan 0.000 0.436 1383 A N -0.778 122.103 122.820 0.101 0.000 1.930 1383 A HA -0.150 4.171 4.320 0.000 0.000 0.217 1383 A C 2.142 179.912 177.584 0.311 0.000 1.175 1383 A CA 1.717 53.851 52.037 0.162 0.000 0.627 1383 A CB -0.752 18.268 19.000 0.034 0.000 0.815 1383 A HN 0.295 nan 8.150 nan 0.000 0.443 1384 V N -0.087 119.953 119.914 0.210 0.000 2.427 1384 V HA -0.194 3.926 4.120 0.000 0.000 0.248 1384 V C 2.636 178.859 176.094 0.214 0.000 1.051 1384 V CA 2.206 64.632 62.300 0.210 0.000 1.048 1384 V CB -0.784 31.120 31.823 0.135 0.000 0.666 1384 V HN 0.616 nan 8.190 nan 0.000 0.456 1385 R N 1.208 121.803 120.500 0.158 0.000 2.081 1385 R HA -0.070 4.270 4.340 0.000 0.000 0.235 1385 R C 2.150 178.521 176.300 0.119 0.000 1.131 1385 R CA 1.879 58.048 56.100 0.115 0.000 0.960 1385 R CB -0.912 29.437 30.300 0.081 0.000 0.856 1385 R HN 0.434 nan 8.270 nan 0.000 0.436 1386 A N -0.473 122.444 122.820 0.162 0.000 1.898 1386 A HA -0.122 4.198 4.320 0.000 0.000 0.216 1386 A C 2.163 179.827 177.584 0.133 0.000 1.181 1386 A CA 1.358 53.489 52.037 0.156 0.000 0.620 1386 A CB -0.840 18.291 19.000 0.218 0.000 0.819 1386 A HN 0.479 nan 8.150 nan 0.000 0.442 1387 F N 0.924 120.894 119.950 0.034 0.000 2.102 1387 F HA -0.063 4.464 4.527 0.000 0.000 0.298 1387 F C 2.546 178.281 175.800 -0.109 0.000 1.105 1387 F CA 1.393 59.294 58.000 -0.164 0.000 1.239 1387 F CB -0.375 38.492 39.000 -0.221 0.000 0.991 1387 F HN 0.246 nan 8.300 nan 0.000 0.474 1388 A N -0.116 122.782 122.820 0.130 0.000 1.902 1388 A HA -0.200 4.120 4.320 0.000 0.000 0.217 1388 A C 1.895 179.431 177.584 -0.081 0.000 1.181 1388 A CA 2.070 54.122 52.037 0.026 0.000 0.623 1388 A CB -0.967 18.076 19.000 0.071 0.000 0.818 1388 A HN 0.456 nan 8.150 nan 0.000 0.443 1389 D N -0.152 120.216 120.400 -0.053 0.000 2.183 1389 D HA 0.060 4.700 4.640 0.000 0.000 0.203 1389 D C 2.126 178.358 176.300 -0.113 0.000 0.969 1389 D CA 1.228 55.189 54.000 -0.066 0.000 0.842 1389 D CB -0.356 40.428 40.800 -0.026 0.000 0.957 1389 D HN 0.419 nan 8.370 nan 0.000 0.484 1390 A N 0.583 123.305 122.820 -0.163 0.000 2.019 1390 A HA -0.088 4.232 4.320 0.000 0.000 0.219 1390 A C 2.228 179.662 177.584 -0.250 0.000 1.164 1390 A CA 0.649 52.562 52.037 -0.207 0.000 0.644 1390 A CB -0.662 18.173 19.000 -0.274 0.000 0.805 1390 A HN 0.222 nan 8.150 nan 0.000 0.449 1391 L N -0.835 120.208 121.223 -0.300 0.000 2.265 1391 L HA -0.162 4.179 4.340 0.000 0.000 0.215 1391 L C 2.392 179.158 176.870 -0.172 0.000 1.117 1391 L CA 1.398 56.080 54.840 -0.263 0.000 0.782 1391 L CB -0.413 41.489 42.059 -0.262 0.000 0.914 1391 L HN 0.534 nan 8.230 nan 0.000 0.441 1392 E N -0.000 120.113 120.200 -0.145 0.000 2.338 1392 E HA -0.199 4.151 4.350 0.000 0.000 0.197 1392 E C 2.218 178.760 176.600 -0.097 0.000 1.007 1392 E CA 0.495 56.828 56.400 -0.111 0.000 0.849 1392 E CB 0.155 29.800 29.700 -0.093 0.000 0.774 1392 E HN 0.276 nan 8.360 nan 0.000 0.506 1393 V N 0.854 120.706 119.914 -0.103 0.000 2.568 1393 V HA -0.247 3.873 4.120 0.000 0.000 0.253 1393 V C 1.840 177.887 176.094 -0.078 0.000 1.072 1393 V CA 1.199 63.447 62.300 -0.086 0.000 1.084 1393 V CB -0.276 31.493 31.823 -0.090 0.000 0.676 1393 V HN 0.331 nan 8.190 nan 0.000 0.469 1394 I N 1.140 121.658 120.570 -0.086 0.000 2.162 1394 I HA -0.019 4.151 4.170 0.000 0.000 0.238 1394 I C 0.169 176.247 176.117 -0.065 0.000 1.076 1394 I CA 1.570 62.826 61.300 -0.074 0.000 1.353 1394 I CB -2.837 35.117 38.000 -0.077 0.000 1.063 1394 I HN 0.334 nan 8.210 nan 0.000 0.408 1395 P HA -0.163 nan 4.420 nan 0.000 0.220 1395 P C 1.739 179.007 177.300 -0.054 0.000 1.148 1395 P CA 1.470 64.535 63.100 -0.059 0.000 0.803 1395 P CB -0.132 31.529 31.700 -0.066 0.000 0.782 1396 R N -0.183 120.283 120.500 -0.057 0.000 2.062 1396 R HA -0.046 4.294 4.340 0.000 0.000 0.229 1396 R C 2.075 178.345 176.300 -0.048 0.000 1.128 1396 R CA 1.897 57.967 56.100 -0.050 0.000 0.960 1396 R CB -0.733 29.536 30.300 -0.051 0.000 0.855 1396 R HN 0.044 nan 8.270 nan 0.000 0.432 1397 T N 1.286 115.808 114.554 -0.052 0.000 2.904 1397 T HA -0.002 4.348 4.350 0.000 0.000 0.267 1397 T C 1.727 176.395 174.700 -0.053 0.000 1.059 1397 T CA 0.791 62.861 62.100 -0.050 0.000 1.137 1397 T CB -0.003 68.835 68.868 -0.050 0.000 0.879 1397 T HN 0.146 nan 8.240 nan 0.000 0.467 1398 L N 0.813 122.002 121.223 -0.056 0.000 2.046 1398 L HA -0.083 4.257 4.340 0.000 0.000 0.208 1398 L C 3.020 179.851 176.870 -0.066 0.000 1.077 1398 L CA 1.269 56.072 54.840 -0.063 0.000 0.747 1398 L CB -0.615 41.408 42.059 -0.059 0.000 0.896 1398 L HN 0.236 nan 8.230 nan 0.000 0.432 1399 A N -0.457 122.330 122.820 -0.055 0.000 1.930 1399 A HA -0.246 4.074 4.320 0.000 0.000 0.217 1399 A C 2.260 179.815 177.584 -0.049 0.000 1.175 1399 A CA 1.719 53.725 52.037 -0.050 0.000 0.627 1399 A CB -0.474 18.501 19.000 -0.040 0.000 0.815 1399 A HN 0.476 nan 8.150 nan 0.000 0.443 1400 E N 0.044 120.216 120.200 -0.046 0.000 2.058 1400 E HA -0.239 4.111 4.350 0.000 0.000 0.194 1400 E C 1.603 178.175 176.600 -0.047 0.000 0.997 1400 E CA 1.457 57.832 56.400 -0.042 0.000 0.801 1400 E CB -0.155 29.521 29.700 -0.040 0.000 0.746 1400 E HN 0.555 nan 8.360 nan 0.000 0.450 1401 N N 0.268 118.935 118.700 -0.054 0.000 2.244 1401 N HA -0.103 4.638 4.740 0.000 0.000 0.183 1401 N C 1.437 176.904 175.510 -0.072 0.000 1.016 1401 N CA 1.126 54.140 53.050 -0.060 0.000 0.866 1401 N CB -0.285 38.163 38.487 -0.065 0.000 0.980 1401 N HN 0.224 nan 8.380 nan 0.000 0.430 1402 A N 0.011 122.782 122.820 -0.081 0.000 2.119 1402 A HA 0.284 4.604 4.320 0.000 0.000 0.217 1402 A C 1.477 179.022 177.584 -0.065 0.000 1.153 1402 A CA 1.110 53.091 52.037 -0.093 0.000 0.692 1402 A CB -0.456 18.482 19.000 -0.104 0.000 0.799 1402 A HN 0.333 nan 8.150 nan 0.000 0.458 1403 G N -1.418 107.352 108.800 -0.051 0.000 2.149 1403 G HA2 -0.181 3.780 3.960 0.000 0.000 0.235 1403 G HA3 -0.181 3.780 3.960 0.000 0.000 0.235 1403 G C -0.064 174.818 174.900 -0.031 0.000 1.018 1403 G CA 0.271 45.349 45.100 -0.037 0.000 0.728 1403 G HN 0.447 nan 8.290 nan 0.000 0.508 1404 L N -0.061 121.142 121.223 -0.034 0.000 2.375 1404 L HA 0.518 4.858 4.340 0.000 0.000 0.268 1404 L C 0.272 177.127 176.870 -0.024 0.000 1.058 1404 L CA -1.069 53.754 54.840 -0.027 0.000 0.803 1404 L CB 1.055 43.096 42.059 -0.030 0.000 1.212 1404 L HN 0.081 nan 8.230 nan 0.000 0.451 1405 D N 1.124 121.512 120.400 -0.019 0.000 2.359 1405 D HA 0.188 4.828 4.640 0.000 0.000 0.250 1405 D C 0.808 177.097 176.300 -0.019 0.000 1.264 1405 D CA -0.010 53.979 54.000 -0.018 0.000 0.911 1405 D CB 1.636 42.428 40.800 -0.014 0.000 1.056 1405 D HN 0.599 nan 8.370 nan 0.000 0.499 1406 A N 4.635 127.442 122.820 -0.022 0.000 1.986 1406 A HA -0.188 4.132 4.320 0.000 0.000 0.220 1406 A C 2.255 179.825 177.584 -0.022 0.000 1.171 1406 A CA 0.964 52.986 52.037 -0.025 0.000 0.640 1406 A CB -0.390 18.593 19.000 -0.029 0.000 0.811 1406 A HN 0.747 nan 8.150 nan 0.000 0.451 1407 I N -0.924 119.635 120.570 -0.019 0.000 2.163 1407 I HA -0.253 3.917 4.170 0.000 0.000 0.240 1407 I C 2.583 178.692 176.117 -0.013 0.000 1.081 1407 I CA 1.836 63.126 61.300 -0.016 0.000 1.353 1407 I CB -0.350 37.642 38.000 -0.013 0.000 1.054 1407 I HN 0.523 nan 8.210 nan 0.000 0.407 1408 E N 1.230 121.423 120.200 -0.012 0.000 2.110 1408 E HA -0.222 4.128 4.350 0.000 0.000 0.193 1408 E C 2.297 178.892 176.600 -0.009 0.000 0.988 1408 E CA 1.196 57.591 56.400 -0.009 0.000 0.804 1408 E CB 0.196 29.891 29.700 -0.007 0.000 0.745 1408 E HN 0.309 nan 8.360 nan 0.000 0.458 1409 I N 0.752 121.314 120.570 -0.012 0.000 2.113 1409 I HA -0.243 3.928 4.170 0.000 0.000 0.238 1409 I C 2.393 178.502 176.117 -0.014 0.000 1.070 1409 I CA 0.874 62.166 61.300 -0.012 0.000 1.332 1409 I CB -1.085 36.904 38.000 -0.018 0.000 1.044 1409 I HN 0.257 nan 8.210 nan 0.000 0.402 1410 L N 0.123 121.334 121.223 -0.020 0.000 2.083 1410 L HA -0.140 4.200 4.340 0.000 0.000 0.209 1410 L C 2.544 179.404 176.870 -0.018 0.000 1.083 1410 L CA 1.277 56.103 54.840 -0.025 0.000 0.752 1410 L CB -0.999 41.042 42.059 -0.029 0.000 0.899 1410 L HN 0.003 nan 8.230 nan 0.000 0.433 1411 V N -0.906 119.001 119.914 -0.012 0.000 2.283 1411 V HA -0.236 3.884 4.120 0.000 0.000 0.243 1411 V C 2.400 178.495 176.094 0.001 0.000 1.039 1411 V CA 1.505 63.801 62.300 -0.006 0.000 1.016 1411 V CB -0.435 31.385 31.823 -0.005 0.000 0.650 1411 V HN 0.397 nan 8.190 nan 0.000 0.449 1412 K N -0.390 120.011 120.400 0.002 0.000 2.155 1412 K HA -0.053 4.268 4.320 0.000 0.000 0.203 1412 K C 2.014 178.624 176.600 0.016 0.000 1.052 1412 K CA 0.966 57.257 56.287 0.008 0.000 0.948 1412 K CB -0.143 32.360 32.500 0.006 0.000 0.728 1412 K HN 0.306 nan 8.250 nan 0.000 0.448 1413 V N 1.148 121.071 119.914 0.014 0.000 2.302 1413 V HA -0.178 3.942 4.120 0.000 0.000 0.243 1413 V C 2.372 178.494 176.094 0.047 0.000 1.036 1413 V CA 1.490 63.806 62.300 0.027 0.000 1.020 1413 V CB -0.403 31.425 31.823 0.008 0.000 0.657 1413 V HN 0.281 nan 8.190 nan 0.000 0.453 1414 R N 0.363 120.873 120.500 0.017 0.000 2.081 1414 R HA -0.171 4.170 4.340 0.000 0.000 0.235 1414 R C 2.258 178.592 176.300 0.057 0.000 1.131 1414 R CA 1.773 57.883 56.100 0.018 0.000 0.960 1414 R CB -0.447 29.843 30.300 -0.016 0.000 0.856 1414 R HN 0.479 nan 8.270 nan 0.000 0.436 1415 A N 0.629 123.471 122.820 0.037 0.000 1.898 1415 A HA -0.066 4.254 4.320 0.000 0.000 0.216 1415 A C 2.350 179.958 177.584 0.040 0.000 1.181 1415 A CA 1.595 53.652 52.037 0.033 0.000 0.620 1415 A CB -0.766 18.245 19.000 0.018 0.000 0.819 1415 A HN 0.538 nan 8.150 nan 0.000 0.442 1416 A N -1.198 121.649 122.820 0.044 0.000 1.969 1416 A HA -0.142 4.178 4.320 0.000 0.000 0.218 1416 A C 1.981 179.590 177.584 0.042 0.000 1.169 1416 A CA 2.013 54.072 52.037 0.036 0.000 0.635 1416 A CB -0.801 18.219 19.000 0.033 0.000 0.810 1416 A HN 0.777 nan 8.150 nan 0.000 0.445 1417 H N -0.276 118.789 119.070 -0.008 0.000 2.326 1417 H HA 0.083 4.639 4.556 0.001 0.000 0.301 1417 H C 2.208 177.529 175.328 -0.011 0.000 1.081 1417 H CA 1.877 57.919 56.048 -0.010 0.000 1.334 1417 H CB -0.148 29.606 29.762 -0.014 0.000 1.385 1417 H HN 0.390 nan 8.280 nan 0.000 0.504 1418 A N -0.715 122.171 122.820 0.111 0.000 1.933 1418 A HA -0.157 4.163 4.320 0.000 0.000 0.218 1418 A C 2.541 180.120 177.584 -0.009 0.000 1.175 1418 A CA 1.834 53.905 52.037 0.057 0.000 0.628 1418 A CB -0.956 18.082 19.000 0.064 0.000 0.814 1418 A HN 0.500 nan 8.150 nan 0.000 0.444 1419 S N -0.527 115.166 115.700 -0.011 0.000 2.356 1419 S HA -0.077 4.393 4.470 0.000 0.000 0.219 1419 S C 1.876 176.452 174.600 -0.040 0.000 1.036 1419 S CA 1.131 59.320 58.200 -0.018 0.000 0.965 1419 S CB -0.366 62.830 63.200 -0.007 0.000 0.864 1419 S HN 0.644 nan 8.310 nan 0.000 0.471 1420 N N 0.696 119.363 118.700 -0.055 0.000 2.368 1420 N HA 0.247 4.987 4.740 0.000 0.000 0.176 1420 N C 1.003 176.447 175.510 -0.108 0.000 1.021 1420 N CA 0.943 53.954 53.050 -0.065 0.000 0.888 1420 N CB 0.594 39.052 38.487 -0.048 0.000 0.995 1420 N HN 0.577 nan 8.380 nan 0.000 0.437 1421 G N 1.171 109.851 108.800 -0.200 0.000 2.373 1421 G HA2 -0.213 3.747 3.960 0.000 0.000 0.634 1421 G HA3 -0.213 3.747 3.960 0.000 0.000 0.634 1421 G C -0.019 174.594 174.900 -0.478 0.000 1.267 1421 G CA 0.061 44.987 45.100 -0.290 0.000 1.008 1421 G HN 0.283 nan 8.290 nan 0.000 0.497 1422 N N -0.647 117.835 118.700 -0.362 0.000 2.405 1422 N HA 0.063 4.803 4.740 0.000 0.000 0.175 1422 N C 1.251 176.739 175.510 -0.036 0.000 1.051 1422 N CA 1.261 54.193 53.050 -0.197 0.000 0.899 1422 N CB 0.146 38.636 38.487 0.005 0.000 1.000 1422 N HN 0.623 nan 8.380 nan 0.000 0.451 1423 K N -0.508 119.860 120.400 -0.054 0.000 2.414 1423 K HA 0.316 4.637 4.320 0.000 0.000 0.204 1423 K C -0.493 176.092 176.600 -0.025 0.000 1.026 1423 K CA -0.140 56.135 56.287 -0.020 0.000 1.108 1423 K CB 0.491 32.983 32.500 -0.014 0.000 0.855 1423 K HN 0.114 nan 8.250 nan 0.000 0.517 1424 C N 0.994 120.265 119.300 -0.048 0.000 2.887 1424 C HA 0.634 5.094 4.460 0.000 0.000 0.240 1424 C C 0.428 175.400 174.990 -0.030 0.000 1.872 1424 C CA -0.654 58.341 59.018 -0.038 0.000 1.626 1424 C CB -0.784 26.924 27.740 -0.054 0.000 3.115 1424 C HN 0.497 nan 8.230 nan 0.000 0.488 1425 A N -0.015 122.805 122.820 -0.000 0.000 5.519 1425 A HA 0.940 5.260 4.320 0.000 0.000 0.158 1425 A C 0.170 177.792 177.584 0.064 0.000 0.860 1425 A CA 0.418 52.479 52.037 0.040 0.000 1.134 1425 A CB -0.396 18.644 19.000 0.066 0.000 2.248 1425 A HN 1.915 nan 8.150 nan 0.000 1.056 1426 G N -1.911 106.944 108.800 0.092 0.000 2.814 1426 G HA2 0.361 4.321 3.960 0.000 0.000 0.677 1426 G HA3 0.361 4.321 3.960 0.000 0.000 0.677 1426 G C -0.684 174.243 174.900 0.045 0.000 1.429 1426 G CA 0.009 45.149 45.100 0.068 0.000 0.868 1426 G HN 2.091 nan 8.290 nan 0.000 0.553 1427 L N 0.418 121.660 121.223 0.031 0.000 2.289 1427 L HA 0.754 5.094 4.340 0.000 0.000 0.285 1427 L C 0.182 177.075 176.870 0.038 0.000 1.049 1427 L CA -0.969 53.885 54.840 0.023 0.000 0.804 1427 L CB 1.544 43.603 42.059 0.001 0.000 1.195 1427 L HN 0.738 nan 8.230 nan 0.000 0.428 1428 N N 3.025 121.754 118.700 0.049 0.000 2.546 1428 N HA 0.223 4.963 4.740 0.000 0.000 0.238 1428 N C 0.805 176.352 175.510 0.061 0.000 0.984 1428 N CA -0.219 52.886 53.050 0.092 0.000 0.935 1428 N CB 1.140 39.693 38.487 0.110 0.000 1.122 1428 N HN 0.530 nan 8.380 nan 0.000 0.510 1429 V N 1.527 121.441 119.914 0.000 0.000 2.970 1429 V HA -0.005 4.116 4.120 0.000 0.000 0.260 1429 V C 1.410 177.409 176.094 -0.159 0.000 1.100 1429 V CA 1.231 63.457 62.300 -0.122 0.000 1.122 1429 V CB -1.158 30.521 31.823 -0.239 0.000 0.721 1429 V HN 0.453 nan 8.190 nan 0.000 0.483 1430 F N 2.542 122.490 119.950 -0.004 0.000 2.259 1430 F HA -0.039 4.488 4.527 0.001 0.000 0.298 1430 F C 2.662 178.460 175.800 -0.003 0.000 1.088 1430 F CA 1.850 59.848 58.000 -0.003 0.000 1.358 1430 F CB -0.371 38.628 39.000 -0.002 0.000 1.040 1430 F HN 0.388 nan 8.300 nan 0.000 0.505 1431 T N -4.097 110.558 114.554 0.167 0.000 3.001 1431 T HA 0.378 4.728 4.350 0.000 0.000 0.251 1431 T C 1.475 176.203 174.700 0.046 0.000 1.040 1431 T CA 0.408 62.561 62.100 0.089 0.000 0.985 1431 T CB 0.321 69.233 68.868 0.074 0.000 1.011 1431 T HN 0.348 nan 8.240 nan 0.000 0.509 1432 G N 1.075 109.893 108.800 0.030 0.000 2.248 1432 G HA2 0.269 4.229 3.960 0.000 0.000 0.263 1432 G HA3 0.269 4.229 3.960 0.000 0.000 0.263 1432 G C 0.052 174.957 174.900 0.007 0.000 1.082 1432 G CA -0.228 44.874 45.100 0.003 0.000 0.863 1432 G HN 1.416 nan 8.290 nan 0.000 0.495 1433 A N -1.594 121.236 122.820 0.016 0.000 2.608 1433 A HA 0.875 5.195 4.320 0.000 0.000 0.292 1433 A C 0.021 177.618 177.584 0.021 0.000 1.066 1433 A CA 0.122 52.168 52.037 0.016 0.000 0.676 1433 A CB 1.480 20.490 19.000 0.018 0.000 1.277 1433 A HN 1.782 nan 8.150 nan 0.000 0.413 1434 V N 1.814 121.739 119.914 0.018 0.000 2.599 1434 V HA 0.400 4.520 4.120 0.000 0.000 0.300 1434 V C 0.009 176.118 176.094 0.026 0.000 1.034 1434 V CA 1.009 63.323 62.300 0.023 0.000 1.115 1434 V CB 0.451 32.286 31.823 0.021 0.000 0.934 1434 V HN 0.916 nan 8.190 nan 0.000 0.485 1435 E N 3.794 124.012 120.200 0.031 0.000 2.390 1435 E HA 0.376 4.726 4.350 0.000 0.000 0.242 1435 E C -1.448 175.167 176.600 0.026 0.000 0.907 1435 E CA -0.681 55.737 56.400 0.028 0.000 0.884 1435 E CB 0.855 30.576 29.700 0.036 0.000 1.788 1435 E HN 0.699 nan 8.360 nan 0.000 0.427 1436 D N 1.346 121.759 120.400 0.021 0.000 2.460 1436 D HA 0.182 4.822 4.640 0.000 0.000 0.232 1436 D C 0.812 177.124 176.300 0.021 0.000 1.079 1436 D CA -0.275 53.734 54.000 0.016 0.000 0.864 1436 D CB 0.693 41.497 40.800 0.007 0.000 1.048 1436 D HN 0.186 nan 8.370 nan 0.000 0.523 1437 M N 1.859 121.476 119.600 0.028 0.000 2.175 1437 M HA -0.120 4.360 4.480 0.000 0.000 0.264 1437 M C 2.305 178.618 176.300 0.020 0.000 1.063 1437 M CA 0.669 55.988 55.300 0.031 0.000 1.119 1437 M CB -1.128 31.497 32.600 0.040 0.000 1.377 1437 M HN 0.526 nan 8.290 nan 0.000 0.415 1438 C N 0.671 119.980 119.300 0.015 0.000 2.453 1438 C HA -0.157 4.303 4.460 0.000 0.000 0.277 1438 C C 2.701 177.693 174.990 0.003 0.000 1.262 1438 C CA 1.293 60.316 59.018 0.008 0.000 1.718 1438 C CB -0.893 26.850 27.740 0.004 0.000 2.031 1438 C HN 0.634 nan 8.230 nan 0.000 0.480 1439 E N 0.131 120.332 120.200 0.001 0.000 2.118 1439 E HA -0.197 4.153 4.350 0.000 0.000 0.195 1439 E C 1.340 177.937 176.600 -0.006 0.000 0.992 1439 E CA 1.296 57.695 56.400 -0.002 0.000 0.804 1439 E CB -0.182 29.517 29.700 -0.002 0.000 0.741 1439 E HN 0.659 nan 8.360 nan 0.000 0.458 1440 N N -0.455 118.242 118.700 -0.004 0.000 2.398 1440 N HA 0.012 4.753 4.740 0.000 0.000 0.188 1440 N C 0.681 176.181 175.510 -0.017 0.000 1.122 1440 N CA 0.889 53.931 53.050 -0.013 0.000 0.866 1440 N CB 1.020 39.501 38.487 -0.010 0.000 0.970 1440 N HN 0.322 nan 8.380 nan 0.000 0.462 1441 G N 0.617 109.413 108.800 -0.007 0.000 2.160 1441 G HA2 -0.259 3.701 3.960 0.000 0.000 0.251 1441 G HA3 -0.259 3.701 3.960 0.000 0.000 0.251 1441 G C 0.001 174.901 174.900 0.001 0.000 1.008 1441 G CA 0.017 45.114 45.100 -0.006 0.000 0.724 1441 G HN 0.191 nan 8.290 nan 0.000 0.514 1442 V N 1.385 121.306 119.914 0.011 0.000 2.276 1442 V HA 0.473 4.593 4.120 0.000 0.000 0.249 1442 V C 0.855 176.965 176.094 0.027 0.000 1.160 1442 V CA 0.173 62.489 62.300 0.027 0.000 1.042 1442 V CB 0.444 32.295 31.823 0.046 0.000 1.224 1442 V HN 1.041 nan 8.190 nan 0.000 0.496 1443 V N 1.523 121.450 119.914 0.022 0.000 2.962 1443 V HA 0.787 4.907 4.120 0.000 0.000 0.313 1443 V C -0.703 175.402 176.094 0.020 0.000 1.099 1443 V CA -0.877 61.435 62.300 0.020 0.000 0.971 1443 V CB 2.558 34.390 31.823 0.015 0.000 1.028 1443 V HN 0.629 nan 8.190 nan 0.000 0.430 1444 E N 2.298 122.509 120.200 0.018 0.000 2.293 1444 E HA 0.533 4.884 4.350 0.000 0.000 0.270 1444 E C -2.947 173.662 176.600 0.015 0.000 0.879 1444 E CA -2.246 54.164 56.400 0.017 0.000 0.756 1444 E CB 2.659 32.368 29.700 0.016 0.000 1.208 1444 E HN 0.572 nan 8.360 nan 0.000 0.428 1445 P HA -0.083 nan 4.420 nan 0.000 0.266 1445 P C 0.455 177.763 177.300 0.013 0.000 1.195 1445 P CA -0.091 63.017 63.100 0.012 0.000 0.768 1445 P CB 0.538 32.245 31.700 0.011 0.000 0.838 1446 L N 3.962 125.193 121.223 0.014 0.000 2.079 1446 L HA -0.168 4.172 4.340 0.000 0.000 0.210 1446 L C 2.281 179.161 176.870 0.016 0.000 1.081 1446 L CA 1.939 56.789 54.840 0.016 0.000 0.752 1446 L CB -0.843 41.226 42.059 0.017 0.000 0.896 1446 L HN 0.217 nan 8.230 nan 0.000 0.433 1447 R N -0.782 119.726 120.500 0.014 0.000 2.127 1447 R HA -0.126 4.214 4.340 0.000 0.000 0.238 1447 R C 2.010 178.318 176.300 0.013 0.000 1.134 1447 R CA 1.949 58.057 56.100 0.014 0.000 0.975 1447 R CB -1.009 29.299 30.300 0.012 0.000 0.865 1447 R HN 0.322 nan 8.270 nan 0.000 0.447 1448 V N 1.058 120.979 119.914 0.012 0.000 2.287 1448 V HA -0.262 3.858 4.120 0.000 0.000 0.248 1448 V C 2.139 178.239 176.094 0.010 0.000 1.053 1448 V CA 2.068 64.374 62.300 0.010 0.000 1.027 1448 V CB -0.406 31.422 31.823 0.009 0.000 0.646 1448 V HN 0.282 nan 8.190 nan 0.000 0.447 1449 K N 0.262 120.669 120.400 0.012 0.000 2.186 1449 K HA -0.034 4.287 4.320 0.000 0.000 0.202 1449 K C 2.267 178.880 176.600 0.021 0.000 1.052 1449 K CA 1.633 57.928 56.287 0.012 0.000 0.965 1449 K CB -0.682 31.826 32.500 0.013 0.000 0.746 1449 K HN 0.723 nan 8.250 nan 0.000 0.457 1450 T N -1.334 113.235 114.554 0.024 0.000 2.978 1450 T HA -0.080 4.270 4.350 0.000 0.000 0.262 1450 T C 2.017 176.734 174.700 0.028 0.000 1.063 1450 T CA 0.699 62.816 62.100 0.030 0.000 1.140 1450 T CB 0.087 68.971 68.868 0.026 0.000 0.886 1450 T HN -0.046 nan 8.240 nan 0.000 0.470 1451 Q N 1.896 121.709 119.800 0.022 0.000 2.083 1451 Q HA 0.267 4.607 4.340 0.000 0.000 0.198 1451 Q C 2.434 178.447 176.000 0.021 0.000 0.969 1451 Q CA 1.695 57.510 55.803 0.020 0.000 0.838 1451 Q CB -0.981 27.766 28.738 0.015 0.000 0.900 1451 Q HN 0.616 nan 8.270 nan 0.000 0.436 1452 A N 0.357 123.188 122.820 0.018 0.000 1.917 1452 A HA -0.190 4.130 4.320 0.000 0.000 0.219 1452 A C 2.120 179.721 177.584 0.027 0.000 1.182 1452 A CA 1.683 53.727 52.037 0.013 0.000 0.633 1452 A CB -0.807 18.194 19.000 0.001 0.000 0.819 1452 A HN 0.487 nan 8.150 nan 0.000 0.448 1453 I N -1.002 119.595 120.570 0.045 0.000 2.163 1453 I HA -0.256 3.915 4.170 0.000 0.000 0.240 1453 I C 2.847 179.008 176.117 0.074 0.000 1.081 1453 I CA 1.204 62.555 61.300 0.085 0.000 1.353 1453 I CB -0.400 37.660 38.000 0.100 0.000 1.054 1453 I HN 0.322 nan 8.210 nan 0.000 0.407 1454 Q N 0.550 120.381 119.800 0.050 0.000 2.002 1454 Q HA -0.178 4.162 4.340 0.000 0.000 0.204 1454 Q C 2.495 178.519 176.000 0.041 0.000 0.988 1454 Q CA 2.047 57.875 55.803 0.041 0.000 0.843 1454 Q CB -0.541 28.215 28.738 0.030 0.000 0.908 1454 Q HN 0.410 nan 8.270 nan 0.000 0.420 1455 S N 0.843 116.564 115.700 0.034 0.000 2.356 1455 S HA -0.130 4.340 4.470 0.000 0.000 0.223 1455 S C 1.974 176.596 174.600 0.037 0.000 1.032 1455 S CA 1.181 59.399 58.200 0.030 0.000 1.005 1455 S CB -0.308 62.905 63.200 0.022 0.000 0.867 1455 S HN 0.523 nan 8.310 nan 0.000 0.449 1456 A N 1.518 124.361 122.820 0.038 0.000 1.873 1456 A HA 0.141 4.462 4.320 0.000 0.000 0.215 1456 A C 2.357 179.983 177.584 0.070 0.000 1.186 1456 A CA 1.715 53.775 52.037 0.040 0.000 0.616 1456 A CB -1.125 17.887 19.000 0.020 0.000 0.823 1456 A HN 0.511 nan 8.150 nan 0.000 0.442 1457 A N -0.522 122.356 122.820 0.096 0.000 1.902 1457 A HA -0.127 4.193 4.320 0.000 0.000 0.217 1457 A C 1.940 179.588 177.584 0.106 0.000 1.181 1457 A CA 1.670 53.783 52.037 0.127 0.000 0.623 1457 A CB -0.405 18.664 19.000 0.115 0.000 0.818 1457 A HN 0.438 nan 8.150 nan 0.000 0.443 1458 E N -0.208 120.036 120.200 0.074 0.000 2.150 1458 E HA -0.113 4.237 4.350 0.000 0.000 0.193 1458 E C 2.293 178.929 176.600 0.059 0.000 0.985 1458 E CA 1.191 57.627 56.400 0.060 0.000 0.814 1458 E CB -0.493 29.232 29.700 0.043 0.000 0.752 1458 E HN 0.556 nan 8.360 nan 0.000 0.466 1459 S N 0.432 116.166 115.700 0.057 0.000 2.355 1459 S HA -0.126 4.344 4.470 0.000 0.000 0.222 1459 S C 2.193 176.831 174.600 0.062 0.000 1.031 1459 S CA 2.151 60.381 58.200 0.050 0.000 0.993 1459 S CB -0.284 62.939 63.200 0.039 0.000 0.859 1459 S HN 0.464 nan 8.310 nan 0.000 0.453 1460 T N -0.721 113.883 114.554 0.083 0.000 2.904 1460 T HA 0.041 4.391 4.350 0.000 0.000 0.267 1460 T C 1.737 176.511 174.700 0.123 0.000 1.059 1460 T CA 1.356 63.520 62.100 0.107 0.000 1.137 1460 T CB -0.500 68.456 68.868 0.148 0.000 0.879 1460 T HN 0.606 nan 8.240 nan 0.000 0.467 1461 E N 0.783 121.060 120.200 0.127 0.000 2.051 1461 E HA -0.165 4.185 4.350 0.000 0.000 0.192 1461 E C 2.253 178.890 176.600 0.062 0.000 0.991 1461 E CA 1.164 57.625 56.400 0.101 0.000 0.799 1461 E CB -0.301 29.456 29.700 0.094 0.000 0.748 1461 E HN 0.581 nan 8.360 nan 0.000 0.449 1462 M N 0.488 120.121 119.600 0.056 0.000 2.080 1462 M HA -0.202 4.278 4.480 0.000 0.000 0.260 1462 M C 2.170 178.495 176.300 0.041 0.000 1.068 1462 M CA 1.498 56.823 55.300 0.042 0.000 1.109 1462 M CB -0.073 32.550 32.600 0.039 0.000 1.342 1462 M HN 0.206 nan 8.290 nan 0.000 0.405 1463 L N 0.147 121.399 121.223 0.048 0.000 2.042 1463 L HA -0.252 4.088 4.340 0.000 0.000 0.210 1463 L C 2.361 179.254 176.870 0.038 0.000 1.076 1463 L CA 1.217 56.084 54.840 0.046 0.000 0.749 1463 L CB -0.728 41.358 42.059 0.045 0.000 0.893 1463 L HN 0.416 nan 8.230 nan 0.000 0.432 1464 L N -0.726 120.520 121.223 0.038 0.000 2.191 1464 L HA -0.185 4.155 4.340 0.000 0.000 0.212 1464 L C 2.685 179.560 176.870 0.008 0.000 1.103 1464 L CA 1.050 55.901 54.840 0.019 0.000 0.769 1464 L CB -0.420 41.647 42.059 0.013 0.000 0.908 1464 L HN 0.218 nan 8.230 nan 0.000 0.438 1465 R N -0.337 120.173 120.500 0.017 0.000 2.189 1465 R HA -0.001 4.340 4.340 0.000 0.000 0.218 1465 R C 0.195 176.504 176.300 0.014 0.000 1.074 1465 R CA 0.404 56.513 56.100 0.015 0.000 0.991 1465 R CB -0.074 30.238 30.300 0.021 0.000 0.883 1465 R HN 0.152 nan 8.270 nan 0.000 0.457 1466 I N 2.152 122.734 120.570 0.020 0.000 2.416 1466 I HA -0.053 4.118 4.170 0.000 0.000 0.288 1466 I C 0.592 176.721 176.117 0.021 0.000 1.051 1466 I CA 0.216 61.530 61.300 0.023 0.000 1.375 1466 I CB 1.233 39.252 38.000 0.032 0.000 1.407 1466 I HN 0.113 nan 8.210 nan 0.000 0.516 1467 D N 2.476 122.887 120.400 0.018 0.000 2.500 1467 D HA 0.145 4.785 4.640 0.000 0.000 0.217 1467 D C -0.262 176.056 176.300 0.030 0.000 1.159 1467 D CA -0.001 54.008 54.000 0.016 0.000 0.828 1467 D CB 0.314 41.114 40.800 -0.000 0.000 1.039 1467 D HN 0.342 nan 8.370 nan 0.000 0.512 1468 D N 0.145 120.567 120.400 0.036 0.000 2.738 1468 D HA 0.248 4.888 4.640 0.000 0.000 0.218 1468 D C -1.657 174.671 176.300 0.046 0.000 1.345 1468 D CA -0.522 53.504 54.000 0.044 0.000 0.943 1468 D CB 2.022 42.839 40.800 0.027 0.000 1.514 1468 D HN -0.183 nan 8.370 nan 0.000 0.585 1469 V N 5.161 125.118 119.914 0.073 0.000 2.378 1469 V HA 0.514 4.634 4.120 0.000 0.000 0.288 1469 V C 0.240 176.378 176.094 0.072 0.000 1.016 1469 V CA -0.572 61.766 62.300 0.063 0.000 0.840 1469 V CB 1.426 33.287 31.823 0.063 0.000 0.994 1469 V HN 0.498 nan 8.190 nan 0.000 0.431 1470 I N 4.580 125.171 120.570 0.036 0.000 2.390 1470 I HA 0.700 4.870 4.170 0.000 0.000 0.283 1470 I C 0.216 176.342 176.117 0.015 0.000 1.016 1470 I CA -0.401 60.915 61.300 0.026 0.000 1.151 1470 I CB 1.616 39.624 38.000 0.012 0.000 1.293 1470 I HN 0.655 nan 8.210 nan 0.000 0.458 1471 A N 5.335 128.169 122.820 0.023 0.000 2.304 1471 A HA 0.857 5.177 4.320 0.000 0.000 0.314 1471 A C 0.002 177.592 177.584 0.010 0.000 1.187 1471 A CA -0.515 51.527 52.037 0.009 0.000 0.810 1471 A CB 1.103 20.106 19.000 0.005 0.000 1.183 1471 A HN 0.752 nan 8.150 nan 0.000 0.487 1472 A N 2.046 124.867 122.820 0.002 0.000 2.351 1472 A HA 0.547 4.867 4.320 0.000 0.000 0.257 1472 A C 0.490 178.076 177.584 0.004 0.000 1.087 1472 A CA -0.098 51.940 52.037 0.002 0.000 0.798 1472 A CB 0.125 19.125 19.000 -0.001 0.000 1.033 1472 A HN 0.926 nan 8.150 nan 0.000 0.488 1473 E N 0.000 120.202 120.200 0.004 0.000 2.725 1473 E HA 0.000 4.350 4.350 0.000 0.000 0.291 1473 E CA 0.000 56.404 56.400 0.006 0.000 0.976 1473 E CB 0.000 29.703 29.700 0.006 0.000 0.812 1473 E HN 0.000 nan 8.360 nan 0.000 0.440