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 1mfp_1_B DATA FIRST_RESID 1002 DATA SEQUENCE GFLSGKRILV TGVASKLSIA YGIAQAMHRE GAELAFTYQN DKLKGRVEEF DATA SEQUENCE AAQLGSDIVL QCDVAEDASI DTMFAELGKV WPKFDGFVHS IGFAPGDQLD DATA SEQUENCE GDYVNAVTRE GFKIAHDISS YSFVAMAKAC RSMLNPGSAL LTLSYLGAER DATA SEQUENCE AIPNYNVMGL AKASLEANVR YMANAMGPEG VRVNAISAGP IRTLAASGIK DATA SEQUENCE DFRKMLAHCE AVTPIRRTVT IEDVGNSAAF LCSDLSAGIS GEVVHVDGGF DATA SEQUENCE SIAAMNEL 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 1002 G HA2 0.000 nan 3.960 nan 0.000 0.244 1002 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 1002 G C 0.000 174.842 174.900 -0.097 0.000 0.946 1002 G CA 0.000 45.003 45.100 -0.162 0.000 0.502 1003 F N -0.999 118.953 119.950 0.004 0.000 2.641 1003 F HA 0.335 4.862 4.527 -0.000 0.000 0.298 1003 F C 1.392 177.189 175.800 -0.005 0.000 1.146 1003 F CA 0.456 58.461 58.000 0.008 0.000 1.464 1003 F CB -0.197 38.823 39.000 0.033 0.000 1.101 1003 F HN 0.119 nan 8.300 nan 0.000 0.585 1004 L N 0.036 121.192 121.223 -0.112 0.000 2.857 1004 L HA 0.262 4.602 4.340 -0.000 0.000 0.249 1004 L C 0.458 177.294 176.870 -0.056 0.000 1.172 1004 L CA -0.322 54.492 54.840 -0.043 0.000 0.980 1004 L CB -0.187 41.821 42.059 -0.085 0.000 1.299 1004 L HN -0.040 nan 8.230 nan 0.000 0.535 1005 S N 0.347 116.013 115.700 -0.055 0.000 2.533 1005 S HA 0.351 4.821 4.470 -0.000 0.000 0.282 1005 S C 1.230 175.809 174.600 -0.035 0.000 1.304 1005 S CA 0.611 58.783 58.200 -0.047 0.000 1.063 1005 S CB 1.044 64.220 63.200 -0.039 0.000 0.881 1005 S HN 0.603 nan 8.310 nan 0.000 0.493 1006 G N 2.051 110.825 108.800 -0.043 0.000 2.194 1006 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.236 1006 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.236 1006 G C -0.093 174.757 174.900 -0.083 0.000 0.987 1006 G CA -0.266 44.803 45.100 -0.052 0.000 0.635 1006 G HN 0.521 nan 8.290 nan 0.000 0.520 1007 K N 0.344 120.694 120.400 -0.082 0.000 2.110 1007 K HA 0.639 4.959 4.320 -0.000 0.000 0.263 1007 K C 0.144 176.636 176.600 -0.180 0.000 0.975 1007 K CA -0.638 55.581 56.287 -0.113 0.000 0.895 1007 K CB 1.482 33.944 32.500 -0.063 0.000 1.060 1007 K HN 0.270 nan 8.250 nan 0.000 0.448 1008 R N 2.080 122.393 120.500 -0.312 0.000 2.360 1008 R HA 0.482 4.822 4.340 -0.000 0.000 0.318 1008 R C -0.485 175.650 176.300 -0.274 0.000 0.950 1008 R CA -0.368 55.335 56.100 -0.662 0.000 0.837 1008 R CB 0.857 30.268 30.300 -1.483 0.000 1.165 1008 R HN 0.473 nan 8.270 nan 0.000 0.458 1009 I N 3.541 124.137 120.570 0.044 0.000 2.465 1009 I HA 0.258 4.428 4.170 -0.000 0.000 0.291 1009 I C -0.947 175.428 176.117 0.429 0.000 1.014 1009 I CA -1.104 60.374 61.300 0.297 0.000 1.093 1009 I CB 2.045 40.142 38.000 0.161 0.000 1.267 1009 I HN 0.312 nan 8.210 nan 0.000 0.431 1010 L N 8.258 129.767 121.223 0.475 0.000 2.265 1010 L HA 0.482 4.822 4.340 -0.000 0.000 0.288 1010 L C -0.700 176.278 176.870 0.181 0.000 1.058 1010 L CA -0.094 54.899 54.840 0.254 0.000 0.809 1010 L CB 1.164 43.375 42.059 0.253 0.000 1.179 1010 L HN 0.312 nan 8.230 nan 0.000 0.429 1011 V N 4.581 124.455 119.914 -0.067 0.000 2.347 1011 V HA 0.516 4.636 4.120 -0.000 0.000 0.280 1011 V C 0.474 176.601 176.094 0.055 0.000 1.021 1011 V CA -0.296 61.987 62.300 -0.029 0.000 0.847 1011 V CB 1.025 32.720 31.823 -0.212 0.000 0.990 1011 V HN 0.920 nan 8.190 nan 0.000 0.444 1012 T N 0.757 115.380 114.554 0.116 0.000 2.923 1012 T HA 0.708 5.058 4.350 -0.000 0.000 0.281 1012 T C 1.074 175.834 174.700 0.100 0.000 0.995 1012 T CA 0.183 62.332 62.100 0.081 0.000 0.985 1012 T CB 1.658 70.537 68.868 0.019 0.000 1.114 1012 T HN 1.681 nan 8.240 nan 0.000 0.548 1013 G N -0.404 108.440 108.800 0.073 0.000 2.176 1013 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.253 1013 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.253 1013 G C 0.120 175.091 174.900 0.119 0.000 0.979 1013 G CA -0.044 45.097 45.100 0.068 0.000 0.641 1013 G HN 1.098 nan 8.290 nan 0.000 0.530 1014 V N 0.697 120.727 119.914 0.194 0.000 2.585 1014 V HA 0.495 4.615 4.120 -0.000 0.000 0.296 1014 V C 1.240 177.444 176.094 0.184 0.000 1.035 1014 V CA 1.403 63.840 62.300 0.228 0.000 1.084 1014 V CB 1.270 33.293 31.823 0.334 0.000 0.953 1014 V HN 1.146 nan 8.190 nan 0.000 0.483 1015 A N 3.857 126.770 122.820 0.154 0.000 2.425 1015 A HA 0.588 4.908 4.320 -0.000 0.000 0.201 1015 A C 0.537 178.193 177.584 0.121 0.000 1.431 1015 A CA 0.630 52.736 52.037 0.114 0.000 1.066 1015 A CB 0.531 19.570 19.000 0.065 0.000 1.318 1015 A HN 1.100 nan 8.150 nan 0.000 0.534 1016 S N -1.584 114.194 115.700 0.130 0.000 2.615 1016 S HA 0.360 4.830 4.470 -0.000 0.000 0.268 1016 S C -0.202 174.311 174.600 -0.145 0.000 1.146 1016 S CA -0.311 57.952 58.200 0.105 0.000 0.818 1016 S CB 0.661 63.876 63.200 0.026 0.000 1.111 1016 S HN 0.032 nan 8.310 nan 0.000 0.465 1017 K N -0.279 119.912 120.400 -0.349 0.000 2.574 1017 K HA 0.118 4.437 4.320 -0.000 0.000 0.193 1017 K C 0.586 176.988 176.600 -0.329 0.000 1.035 1017 K CA 0.442 56.149 56.287 -0.966 0.000 0.982 1017 K CB -0.428 31.644 32.500 -0.714 0.000 0.795 1017 K HN 0.446 nan 8.250 nan 0.000 0.491 1018 L N -0.017 121.137 121.223 -0.115 0.000 2.463 1018 L HA 0.101 4.441 4.340 -0.000 0.000 0.219 1018 L C 0.698 177.598 176.870 0.050 0.000 1.088 1018 L CA 0.786 55.625 54.840 -0.002 0.000 0.849 1018 L CB -0.181 41.872 42.059 -0.010 0.000 1.012 1018 L HN -0.167 nan 8.230 nan 0.000 0.468 1019 S N -0.172 115.560 115.700 0.053 0.000 2.554 1019 S HA -0.035 4.435 4.470 -0.000 0.000 0.290 1019 S C 1.791 176.464 174.600 0.122 0.000 1.309 1019 S CA -0.006 58.248 58.200 0.090 0.000 1.047 1019 S CB 0.469 63.737 63.200 0.114 0.000 0.828 1019 S HN 0.141 nan 8.310 nan 0.000 0.509 1020 I N 2.222 122.846 120.570 0.090 0.000 2.202 1020 I HA -0.190 3.980 4.170 -0.000 0.000 0.242 1020 I C 2.488 178.658 176.117 0.088 0.000 1.091 1020 I CA 1.351 62.700 61.300 0.081 0.000 1.368 1020 I CB -0.545 37.495 38.000 0.067 0.000 1.058 1020 I HN 0.807 nan 8.210 nan 0.000 0.410 1021 A N 0.006 122.887 122.820 0.102 0.000 2.032 1021 A HA -0.306 4.014 4.320 -0.000 0.000 0.221 1021 A C 2.243 179.901 177.584 0.124 0.000 1.165 1021 A CA 1.715 53.822 52.037 0.117 0.000 0.645 1021 A CB -1.001 18.084 19.000 0.141 0.000 0.807 1021 A HN 0.576 nan 8.150 nan 0.000 0.453 1022 Y N 0.575 120.888 120.300 0.022 0.000 2.163 1022 Y HA 0.005 4.555 4.550 -0.000 0.000 0.288 1022 Y C 2.434 178.314 175.900 -0.033 0.000 1.136 1022 Y CA 1.405 59.473 58.100 -0.053 0.000 1.147 1022 Y CB -0.842 37.499 38.460 -0.199 0.000 0.987 1022 Y HN 0.209 nan 8.280 nan 0.000 0.509 1023 G N 0.372 109.091 108.800 -0.136 0.000 2.432 1023 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.219 1023 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.219 1023 G C 1.690 176.521 174.900 -0.116 0.000 1.135 1023 G CA 1.216 46.222 45.100 -0.157 0.000 0.767 1023 G HN 0.503 nan 8.290 nan 0.000 0.550 1024 I N 1.038 121.582 120.570 -0.043 0.000 2.353 1024 I HA -0.068 4.102 4.170 -0.000 0.000 0.248 1024 I C 3.228 179.337 176.117 -0.014 0.000 1.119 1024 I CA 0.728 62.029 61.300 0.003 0.000 1.417 1024 I CB -0.200 37.829 38.000 0.048 0.000 1.078 1024 I HN 0.233 nan 8.210 nan 0.000 0.421 1025 A N 0.641 123.441 122.820 -0.034 0.000 1.845 1025 A HA -0.245 4.075 4.320 -0.000 0.000 0.215 1025 A C 2.271 179.841 177.584 -0.023 0.000 1.195 1025 A CA 1.491 53.539 52.037 0.017 0.000 0.616 1025 A CB -0.748 18.360 19.000 0.179 0.000 0.832 1025 A HN 0.414 nan 8.150 nan 0.000 0.443 1026 Q N -0.700 118.982 119.800 -0.198 0.000 2.152 1026 Q HA -0.206 4.134 4.340 -0.000 0.000 0.206 1026 Q C 2.354 178.339 176.000 -0.026 0.000 0.985 1026 Q CA 1.590 57.306 55.803 -0.146 0.000 0.863 1026 Q CB -0.405 28.140 28.738 -0.321 0.000 0.904 1026 Q HN 0.703 nan 8.270 nan 0.000 0.422 1027 A N 0.527 123.320 122.820 -0.046 0.000 1.929 1027 A HA -0.112 4.208 4.320 -0.000 0.000 0.216 1027 A C 1.999 179.562 177.584 -0.034 0.000 1.176 1027 A CA 1.065 53.089 52.037 -0.021 0.000 0.628 1027 A CB -0.336 18.670 19.000 0.010 0.000 0.816 1027 A HN 0.278 nan 8.150 nan 0.000 0.444 1028 M N -1.673 117.926 119.600 -0.001 0.000 2.254 1028 M HA -0.064 4.416 4.480 -0.000 0.000 0.265 1028 M C 2.125 178.413 176.300 -0.019 0.000 1.066 1028 M CA 1.719 57.007 55.300 -0.020 0.000 1.123 1028 M CB -0.510 32.104 32.600 0.024 0.000 1.388 1028 M HN 0.711 nan 8.290 nan 0.000 0.425 1029 H N 0.781 119.825 119.070 -0.044 0.000 2.326 1029 H HA -0.058 4.498 4.556 -0.000 0.000 0.301 1029 H C 2.159 177.454 175.328 -0.055 0.000 1.081 1029 H CA 1.807 57.844 56.048 -0.018 0.000 1.334 1029 H CB -0.052 29.727 29.762 0.028 0.000 1.385 1029 H HN 0.179 nan 8.280 nan 0.000 0.504 1030 R N 0.270 120.697 120.500 -0.122 0.000 2.170 1030 R HA -0.122 4.218 4.340 -0.000 0.000 0.242 1030 R C 0.793 176.938 176.300 -0.257 0.000 1.145 1030 R CA 1.682 57.670 56.100 -0.186 0.000 0.984 1030 R CB 0.075 30.323 30.300 -0.087 0.000 0.869 1030 R HN 0.416 nan 8.270 nan 0.000 0.455 1031 E N -1.028 118.984 120.200 -0.314 0.000 2.463 1031 E HA 0.093 4.443 4.350 -0.000 0.000 0.193 1031 E C 0.720 177.127 176.600 -0.321 0.000 1.041 1031 E CA 0.646 56.773 56.400 -0.455 0.000 0.879 1031 E CB 1.018 30.191 29.700 -0.878 0.000 0.997 1031 E HN 0.590 nan 8.360 nan 0.000 0.478 1032 G N 1.056 109.703 108.800 -0.255 0.000 2.141 1032 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.231 1032 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.231 1032 G C 0.500 175.339 174.900 -0.101 0.000 0.984 1032 G CA 0.092 45.085 45.100 -0.179 0.000 0.660 1032 G HN 0.481 nan 8.290 nan 0.000 0.525 1033 A N -0.220 122.558 122.820 -0.071 0.000 2.351 1033 A HA 0.657 4.977 4.320 -0.000 0.000 0.257 1033 A C 0.378 178.006 177.584 0.074 0.000 1.087 1033 A CA 0.075 52.108 52.037 -0.007 0.000 0.798 1033 A CB 0.444 19.450 19.000 0.010 0.000 1.033 1033 A HN 0.428 nan 8.150 nan 0.000 0.488 1034 E N 0.818 121.067 120.200 0.082 0.000 2.167 1034 E HA 0.436 4.786 4.350 -0.000 0.000 0.284 1034 E C -0.905 175.900 176.600 0.342 0.000 1.016 1034 E CA -0.108 56.417 56.400 0.207 0.000 0.817 1034 E CB 0.808 30.617 29.700 0.181 0.000 1.080 1034 E HN 0.538 nan 8.360 nan 0.000 0.397 1035 L N 2.087 123.519 121.223 0.349 0.000 2.344 1035 L HA 0.743 5.083 4.340 -0.000 0.000 0.272 1035 L C -0.059 176.873 176.870 0.104 0.000 1.035 1035 L CA -0.764 54.208 54.840 0.219 0.000 0.807 1035 L CB 1.572 43.626 42.059 -0.009 0.000 1.237 1035 L HN 0.526 nan 8.230 nan 0.000 0.442 1036 A N 1.619 124.299 122.820 -0.234 0.000 2.454 1036 A HA 0.908 5.228 4.320 -0.000 0.000 0.302 1036 A C -1.480 175.816 177.584 -0.479 0.000 1.079 1036 A CA -0.358 51.427 52.037 -0.421 0.000 0.731 1036 A CB 1.458 19.947 19.000 -0.852 0.000 1.299 1036 A HN 0.469 nan 8.150 nan 0.000 0.413 1037 F N -0.341 119.548 119.950 -0.102 0.000 2.613 1037 F HA 0.692 5.219 4.527 -0.000 0.000 0.310 1037 F C 0.630 176.410 175.800 -0.033 0.000 1.085 1037 F CA -0.188 57.802 58.000 -0.018 0.000 0.945 1037 F CB 2.663 41.691 39.000 0.046 0.000 1.298 1037 F HN 0.702 nan 8.300 nan 0.000 0.455 1038 T N -1.187 113.485 114.554 0.197 0.000 2.930 1038 T HA 0.823 5.173 4.350 -0.000 0.000 0.290 1038 T C -1.395 173.404 174.700 0.164 0.000 1.052 1038 T CA -0.750 61.378 62.100 0.046 0.000 1.017 1038 T CB 2.053 70.842 68.868 -0.132 0.000 1.137 1038 T HN 0.612 nan 8.240 nan 0.000 0.511 1039 Y N -1.375 118.909 120.300 -0.026 0.000 2.562 1039 Y HA 0.576 5.126 4.550 -0.000 0.000 0.345 1039 Y C 1.052 176.921 175.900 -0.052 0.000 1.045 1039 Y CA -1.346 56.738 58.100 -0.025 0.000 1.028 1039 Y CB 1.678 40.116 38.460 -0.037 0.000 1.297 1039 Y HN 0.731 nan 8.280 nan 0.000 0.463 1040 Q N 1.707 121.526 119.800 0.031 0.000 2.096 1040 Q HA 0.007 4.347 4.340 -0.000 0.000 0.197 1040 Q C -0.650 175.314 176.000 -0.060 0.000 0.964 1040 Q CA 1.800 57.558 55.803 -0.075 0.000 0.838 1040 Q CB 0.216 28.923 28.738 -0.053 0.000 0.906 1040 Q HN 0.959 nan 8.270 nan 0.000 0.444 1041 N N -1.823 116.936 118.700 0.098 0.000 3.344 1041 N HA 0.113 4.853 4.740 -0.000 0.000 0.296 1041 N C -0.592 175.026 175.510 0.180 0.000 1.571 1041 N CA -0.253 52.852 53.050 0.091 0.000 0.844 1041 N CB -0.057 38.438 38.487 0.013 0.000 1.718 1041 N HN -0.265 nan 8.380 nan 0.000 0.589 1042 D N -0.226 120.225 120.400 0.085 0.000 2.144 1042 D HA -0.147 4.493 4.640 -0.000 0.000 0.199 1042 D C 1.238 177.530 176.300 -0.013 0.000 0.984 1042 D CA 1.233 55.256 54.000 0.038 0.000 0.834 1042 D CB 0.006 40.811 40.800 0.008 0.000 0.955 1042 D HN 0.571 nan 8.370 nan 0.000 0.465 1043 K N 0.033 120.428 120.400 -0.009 0.000 2.147 1043 K HA -0.122 4.198 4.320 -0.000 0.000 0.205 1043 K C 1.285 177.855 176.600 -0.051 0.000 1.049 1043 K CA 0.717 56.985 56.287 -0.033 0.000 0.936 1043 K CB 0.121 32.606 32.500 -0.025 0.000 0.722 1043 K HN 0.043 nan 8.250 nan 0.000 0.446 1044 L N 0.811 122.020 121.223 -0.022 0.000 2.554 1044 L HA 0.092 4.432 4.340 -0.000 0.000 0.225 1044 L C 1.975 178.752 176.870 -0.154 0.000 1.104 1044 L CA 0.902 55.717 54.840 -0.043 0.000 0.866 1044 L CB -0.380 41.704 42.059 0.041 0.000 1.047 1044 L HN 0.087 nan 8.230 nan 0.000 0.468 1045 K N 0.295 120.518 120.400 -0.294 0.000 2.059 1045 K HA -0.204 4.116 4.320 -0.000 0.000 0.212 1045 K C 2.008 178.316 176.600 -0.488 0.000 1.050 1045 K CA 1.840 57.672 56.287 -0.758 0.000 0.927 1045 K CB -0.374 31.574 32.500 -0.920 0.000 0.714 1045 K HN 0.333 nan 8.250 nan 0.000 0.447 1046 G N 0.927 109.527 108.800 -0.334 0.000 2.446 1046 G HA2 -0.326 3.633 3.960 -0.000 0.000 0.217 1046 G HA3 -0.326 3.633 3.960 -0.000 0.000 0.217 1046 G C 1.580 176.283 174.900 -0.328 0.000 1.168 1046 G CA 1.168 46.094 45.100 -0.290 0.000 0.771 1046 G HN 0.305 nan 8.290 nan 0.000 0.551 1047 R N 0.256 120.562 120.500 -0.324 0.000 2.081 1047 R HA -0.007 4.332 4.340 -0.000 0.000 0.235 1047 R C 2.558 178.560 176.300 -0.497 0.000 1.131 1047 R CA 1.664 57.495 56.100 -0.448 0.000 0.960 1047 R CB -0.930 29.196 30.300 -0.289 0.000 0.856 1047 R HN 0.231 nan 8.270 nan 0.000 0.436 1048 V N 1.171 120.917 119.914 -0.281 0.000 2.453 1048 V HA -0.154 3.966 4.120 -0.000 0.000 0.247 1048 V C 1.963 177.879 176.094 -0.297 0.000 1.048 1048 V CA 2.083 64.264 62.300 -0.197 0.000 1.049 1048 V CB -0.475 31.308 31.823 -0.065 0.000 0.672 1048 V HN 0.423 nan 8.190 nan 0.000 0.457 1049 E N 0.196 120.208 120.200 -0.313 0.000 2.072 1049 E HA -0.262 4.088 4.350 -0.000 0.000 0.191 1049 E C 2.194 178.637 176.600 -0.263 0.000 0.985 1049 E CA 1.283 57.522 56.400 -0.268 0.000 0.801 1049 E CB -0.125 29.428 29.700 -0.246 0.000 0.750 1049 E HN 0.544 nan 8.360 nan 0.000 0.452 1050 E N 0.656 120.659 120.200 -0.328 0.000 2.110 1050 E HA -0.165 4.185 4.350 -0.000 0.000 0.193 1050 E C 1.542 178.001 176.600 -0.236 0.000 0.988 1050 E CA 1.088 57.300 56.400 -0.314 0.000 0.804 1050 E CB -0.144 29.306 29.700 -0.415 0.000 0.745 1050 E HN 0.138 nan 8.360 nan 0.000 0.458 1051 F N 0.326 120.142 119.950 -0.223 0.000 2.187 1051 F HA 0.201 4.728 4.527 -0.000 0.000 0.295 1051 F C 2.352 177.943 175.800 -0.348 0.000 1.091 1051 F CA 0.785 58.659 58.000 -0.211 0.000 1.308 1051 F CB -1.259 37.641 39.000 -0.167 0.000 1.030 1051 F HN 0.137 nan 8.300 nan 0.000 0.487 1052 A N 0.192 122.774 122.820 -0.397 0.000 1.908 1052 A HA -0.113 4.207 4.320 -0.000 0.000 0.218 1052 A C 2.475 179.973 177.584 -0.144 0.000 1.181 1052 A CA 2.023 53.742 52.037 -0.530 0.000 0.627 1052 A CB -1.285 17.414 19.000 -0.501 0.000 0.818 1052 A HN 0.292 nan 8.150 nan 0.000 0.445 1053 A N -0.888 121.864 122.820 -0.113 0.000 1.877 1053 A HA -0.234 4.086 4.320 -0.000 0.000 0.216 1053 A C 2.089 179.656 177.584 -0.029 0.000 1.186 1053 A CA 1.738 53.742 52.037 -0.056 0.000 0.620 1053 A CB -0.632 18.328 19.000 -0.067 0.000 0.822 1053 A HN 0.625 nan 8.150 nan 0.000 0.443 1054 Q N -0.932 118.859 119.800 -0.014 0.000 2.297 1054 Q HA 0.005 4.345 4.340 -0.000 0.000 0.208 1054 Q C 0.800 176.759 176.000 -0.067 0.000 0.981 1054 Q CA 0.848 56.656 55.803 0.008 0.000 0.876 1054 Q CB -0.159 28.634 28.738 0.091 0.000 0.921 1054 Q HN 0.648 nan 8.270 nan 0.000 0.446 1055 L N -0.931 120.217 121.223 -0.127 0.000 3.017 1055 L HA 0.308 4.648 4.340 -0.000 0.000 0.255 1055 L C 0.654 177.386 176.870 -0.230 0.000 1.247 1055 L CA -0.103 54.490 54.840 -0.413 0.000 1.038 1055 L CB 0.391 42.284 42.059 -0.277 0.000 1.380 1055 L HN 0.243 nan 8.230 nan 0.000 0.548 1056 G N 0.500 109.276 108.800 -0.040 0.000 2.198 1056 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.260 1056 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.260 1056 G C 0.147 175.120 174.900 0.123 0.000 1.025 1056 G CA 0.678 45.824 45.100 0.077 0.000 0.769 1056 G HN 0.417 nan 8.290 nan 0.000 0.507 1057 S N -0.266 115.510 115.700 0.126 0.000 2.513 1057 S HA 0.600 5.070 4.470 -0.000 0.000 0.299 1057 S C 0.165 174.816 174.600 0.085 0.000 1.087 1057 S CA 0.169 58.470 58.200 0.168 0.000 1.012 1057 S CB 1.481 64.901 63.200 0.366 0.000 1.044 1057 S HN 0.502 nan 8.310 nan 0.000 0.485 1058 D N 3.268 123.699 120.400 0.052 0.000 2.623 1058 D HA 0.206 4.846 4.640 -0.000 0.000 0.252 1058 D C -0.277 176.013 176.300 -0.017 0.000 1.294 1058 D CA -0.134 53.870 54.000 0.006 0.000 0.824 1058 D CB -0.420 40.379 40.800 -0.003 0.000 1.070 1058 D HN 0.442 nan 8.370 nan 0.000 0.487 1059 I N 0.928 121.490 120.570 -0.013 0.000 2.347 1059 I HA 0.258 4.428 4.170 -0.000 0.000 0.283 1059 I C -0.768 175.358 176.117 0.015 0.000 1.058 1059 I CA -0.831 60.412 61.300 -0.095 0.000 1.202 1059 I CB 1.718 39.526 38.000 -0.320 0.000 1.386 1059 I HN -0.222 nan 8.210 nan 0.000 0.475 1060 V N 7.801 127.730 119.914 0.026 0.000 2.380 1060 V HA 0.463 4.583 4.120 -0.000 0.000 0.286 1060 V C -0.165 176.041 176.094 0.187 0.000 1.015 1060 V CA -0.413 61.957 62.300 0.118 0.000 0.834 1060 V CB 1.458 33.302 31.823 0.036 0.000 1.009 1060 V HN 0.467 nan 8.190 nan 0.000 0.428 1061 L N 3.118 124.426 121.223 0.141 0.000 2.354 1061 L HA 0.620 4.960 4.340 -0.000 0.000 0.269 1061 L C -0.015 176.624 176.870 -0.386 0.000 1.005 1061 L CA -0.711 54.121 54.840 -0.013 0.000 0.819 1061 L CB 1.791 43.757 42.059 -0.155 0.000 1.311 1061 L HN 0.437 nan 8.230 nan 0.000 0.423 1062 Q N 1.691 121.045 119.800 -0.743 0.000 2.313 1062 Q HA 0.249 4.589 4.340 -0.000 0.000 0.266 1062 Q C -1.329 174.313 176.000 -0.597 0.000 0.989 1062 Q CA 0.143 55.234 55.803 -1.187 0.000 0.890 1062 Q CB 1.452 29.739 28.738 -0.752 0.000 1.200 1062 Q HN 0.759 nan 8.270 nan 0.000 0.396 1063 C N 4.918 123.910 119.300 -0.513 0.000 2.817 1063 C HA 0.319 4.779 4.460 -0.000 0.000 0.385 1063 C C -1.524 173.323 174.990 -0.238 0.000 1.050 1063 C CA -0.795 58.025 59.018 -0.330 0.000 1.245 1063 C CB 1.275 28.812 27.740 -0.339 0.000 1.706 1063 C HN 0.887 nan 8.230 nan 0.000 0.488 1064 D N 3.688 123.982 120.400 -0.177 0.000 2.414 1064 D HA 0.246 4.886 4.640 -0.000 0.000 0.232 1064 D C 1.146 177.398 176.300 -0.079 0.000 1.070 1064 D CA -0.196 53.730 54.000 -0.124 0.000 0.839 1064 D CB 1.952 42.689 40.800 -0.106 0.000 1.079 1064 D HN 0.632 nan 8.370 nan 0.000 0.521 1065 V N 2.356 122.236 119.914 -0.057 0.000 3.383 1065 V HA 0.009 4.129 4.120 -0.000 0.000 0.272 1065 V C 1.852 177.980 176.094 0.056 0.000 1.181 1065 V CA 1.332 63.634 62.300 0.004 0.000 1.171 1065 V CB -0.845 31.001 31.823 0.037 0.000 0.800 1065 V HN 0.497 nan 8.190 nan 0.000 0.515 1066 A N -0.173 122.662 122.820 0.025 0.000 2.119 1066 A HA 0.079 4.399 4.320 -0.000 0.000 0.217 1066 A C 1.069 178.686 177.584 0.054 0.000 1.153 1066 A CA 0.732 52.799 52.037 0.050 0.000 0.692 1066 A CB -0.164 18.841 19.000 0.008 0.000 0.799 1066 A HN 0.617 nan 8.150 nan 0.000 0.458 1067 E N 0.289 120.507 120.200 0.031 0.000 2.191 1067 E HA 0.214 4.564 4.350 -0.000 0.000 0.263 1067 E C -0.698 175.926 176.600 0.041 0.000 0.881 1067 E CA -0.565 55.852 56.400 0.029 0.000 0.757 1067 E CB 1.311 31.009 29.700 -0.003 0.000 1.147 1067 E HN 0.156 nan 8.360 nan 0.000 0.414 1068 D N 2.290 122.730 120.400 0.067 0.000 2.123 1068 D HA -0.159 4.481 4.640 -0.000 0.000 0.196 1068 D C 1.601 177.931 176.300 0.050 0.000 0.992 1068 D CA 1.549 55.598 54.000 0.081 0.000 0.833 1068 D CB 0.174 41.031 40.800 0.096 0.000 0.954 1068 D HN 0.545 nan 8.370 nan 0.000 0.455 1069 A N 0.532 123.370 122.820 0.029 0.000 1.933 1069 A HA -0.173 4.147 4.320 -0.000 0.000 0.218 1069 A C 2.311 179.891 177.584 -0.005 0.000 1.175 1069 A CA 2.077 54.124 52.037 0.015 0.000 0.628 1069 A CB -0.656 18.348 19.000 0.006 0.000 0.814 1069 A HN 0.247 nan 8.150 nan 0.000 0.444 1070 S N -0.679 115.006 115.700 -0.025 0.000 2.423 1070 S HA -0.062 4.408 4.470 -0.000 0.000 0.231 1070 S C 1.834 176.375 174.600 -0.099 0.000 1.014 1070 S CA 1.207 59.366 58.200 -0.070 0.000 0.965 1070 S CB -0.528 62.618 63.200 -0.088 0.000 0.785 1070 S HN 0.490 nan 8.310 nan 0.000 0.495 1071 I N 1.214 121.749 120.570 -0.057 0.000 2.333 1071 I HA -0.090 4.080 4.170 -0.000 0.000 0.246 1071 I C 2.134 178.257 176.117 0.011 0.000 1.106 1071 I CA 1.124 62.381 61.300 -0.072 0.000 1.411 1071 I CB -0.340 37.673 38.000 0.022 0.000 1.082 1071 I HN 0.237 nan 8.210 nan 0.000 0.420 1072 D N 0.460 120.903 120.400 0.071 0.000 2.117 1072 D HA -0.155 4.485 4.640 -0.000 0.000 0.197 1072 D C 2.172 178.518 176.300 0.077 0.000 0.987 1072 D CA 1.543 55.612 54.000 0.116 0.000 0.829 1072 D CB -0.357 40.493 40.800 0.083 0.000 0.961 1072 D HN 0.220 nan 8.370 nan 0.000 0.460 1073 T N 1.399 115.959 114.554 0.010 0.000 2.684 1073 T HA -0.170 4.180 4.350 -0.000 0.000 0.267 1073 T C 1.820 176.492 174.700 -0.047 0.000 1.036 1073 T CA 0.974 63.065 62.100 -0.016 0.000 1.148 1073 T CB -0.175 68.667 68.868 -0.043 0.000 0.863 1073 T HN 0.082 nan 8.240 nan 0.000 0.436 1074 M N 0.421 119.944 119.600 -0.128 0.000 2.065 1074 M HA -0.086 4.394 4.480 -0.000 0.000 0.259 1074 M C 1.732 177.920 176.300 -0.186 0.000 1.069 1074 M CA 1.882 57.035 55.300 -0.245 0.000 1.110 1074 M CB -0.919 31.426 32.600 -0.425 0.000 1.328 1074 M HN 0.254 nan 8.290 nan 0.000 0.405 1075 F N 0.489 120.402 119.950 -0.062 0.000 2.451 1075 F HA -0.027 4.500 4.527 -0.000 0.000 0.299 1075 F C 2.514 178.311 175.800 -0.005 0.000 1.101 1075 F CA 1.018 59.000 58.000 -0.030 0.000 1.436 1075 F CB -1.252 37.762 39.000 0.022 0.000 1.074 1075 F HN 0.263 nan 8.300 nan 0.000 0.553 1076 A N -0.234 122.675 122.820 0.149 0.000 1.854 1076 A HA -0.088 4.232 4.320 -0.000 0.000 0.214 1076 A C 2.265 179.881 177.584 0.054 0.000 1.192 1076 A CA 1.196 53.289 52.037 0.094 0.000 0.611 1076 A CB -0.441 18.594 19.000 0.058 0.000 0.832 1076 A HN 0.153 nan 8.150 nan 0.000 0.442 1077 E N -0.143 120.061 120.200 0.007 0.000 2.038 1077 E HA -0.205 4.145 4.350 -0.000 0.000 0.195 1077 E C 1.978 178.557 176.600 -0.035 0.000 1.000 1077 E CA 1.331 57.717 56.400 -0.024 0.000 0.803 1077 E CB -0.804 28.860 29.700 -0.060 0.000 0.750 1077 E HN 0.483 nan 8.360 nan 0.000 0.448 1078 L N 0.891 122.080 121.223 -0.056 0.000 2.129 1078 L HA -0.089 4.251 4.340 -0.000 0.000 0.212 1078 L C 2.103 178.984 176.870 0.019 0.000 1.087 1078 L CA 2.248 57.026 54.840 -0.103 0.000 0.757 1078 L CB -0.831 41.152 42.059 -0.127 0.000 0.896 1078 L HN 0.173 nan 8.230 nan 0.000 0.434 1079 G N -1.011 107.851 108.800 0.103 0.000 2.470 1079 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.220 1079 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.220 1079 G C 1.619 176.587 174.900 0.114 0.000 1.121 1079 G CA 0.745 45.934 45.100 0.149 0.000 0.766 1079 G HN 0.459 nan 8.290 nan 0.000 0.553 1080 K N -0.458 119.981 120.400 0.064 0.000 2.365 1080 K HA 0.148 4.468 4.320 -0.000 0.000 0.199 1080 K C 1.977 178.615 176.600 0.062 0.000 1.045 1080 K CA 0.373 56.691 56.287 0.053 0.000 0.962 1080 K CB 0.279 32.793 32.500 0.024 0.000 0.759 1080 K HN 0.264 nan 8.250 nan 0.000 0.469 1081 V N -1.025 118.922 119.914 0.054 0.000 3.151 1081 V HA 0.053 4.173 4.120 -0.000 0.000 0.241 1081 V C -0.419 175.845 176.094 0.284 0.000 1.173 1081 V CA 0.292 62.633 62.300 0.069 0.000 1.154 1081 V CB 0.413 32.172 31.823 -0.107 0.000 0.898 1081 V HN 0.303 nan 8.190 nan 0.000 0.473 1082 W N 0.934 122.262 121.300 0.047 0.000 2.453 1082 W HA 0.452 5.112 4.660 -0.000 0.000 0.298 1082 W C -2.173 174.427 176.519 0.134 0.000 0.983 1082 W CA -3.077 54.320 57.345 0.086 0.000 1.600 1082 W CB 0.154 29.651 29.460 0.061 0.000 1.430 1082 W HN 0.179 nan 8.180 nan 0.000 0.422 1083 P HA -0.167 nan 4.420 nan 0.000 0.217 1083 P C 0.065 177.505 177.300 0.235 0.000 1.148 1083 P CA 1.969 65.193 63.100 0.207 0.000 0.828 1083 P CB 0.588 32.369 31.700 0.136 0.000 0.783 1084 K N -1.949 118.601 120.400 0.251 0.000 2.512 1084 K HA 0.541 4.861 4.320 -0.000 0.000 0.263 1084 K C -0.850 175.919 176.600 0.282 0.000 0.966 1084 K CA -0.822 55.599 56.287 0.223 0.000 0.851 1084 K CB 2.218 34.749 32.500 0.051 0.000 1.395 1084 K HN -0.115 nan 8.250 nan 0.000 0.440 1085 F N -1.733 118.192 119.950 -0.042 0.000 2.869 1085 F HA 0.472 4.999 4.527 -0.000 0.000 0.325 1085 F C -0.632 175.095 175.800 -0.121 0.000 1.184 1085 F CA -1.000 56.891 58.000 -0.181 0.000 0.951 1085 F CB 0.855 39.828 39.000 -0.046 0.000 1.421 1085 F HN 0.345 nan 8.300 nan 0.000 0.501 1086 D N 0.300 120.654 120.400 -0.076 0.000 2.501 1086 D HA 0.459 5.099 4.640 -0.000 0.000 0.226 1086 D C 0.524 176.771 176.300 -0.089 0.000 1.198 1086 D CA 0.769 54.683 54.000 -0.144 0.000 0.830 1086 D CB 0.736 41.469 40.800 -0.112 0.000 1.014 1086 D HN 1.093 nan 8.370 nan 0.000 0.496 1087 G N 1.340 110.126 108.800 -0.024 0.000 2.371 1087 G HA2 0.139 4.099 3.960 -0.000 0.000 0.663 1087 G HA3 0.139 4.099 3.960 -0.000 0.000 0.663 1087 G C -1.221 173.970 174.900 0.485 0.000 1.311 1087 G CA -0.915 44.227 45.100 0.072 0.000 0.985 1087 G HN 0.149 nan 8.290 nan 0.000 0.566 1088 F N -2.194 117.956 119.950 0.334 0.000 2.645 1088 F HA 0.824 5.351 4.527 -0.000 0.000 0.310 1088 F C -0.583 175.384 175.800 0.277 0.000 1.102 1088 F CA -1.636 56.573 58.000 0.349 0.000 0.952 1088 F CB 1.554 40.825 39.000 0.452 0.000 1.326 1088 F HN 0.535 nan 8.300 nan 0.000 0.456 1089 V N 2.243 122.435 119.914 0.463 0.000 2.370 1089 V HA 0.235 4.355 4.120 -0.000 0.000 0.279 1089 V C -0.539 175.855 176.094 0.500 0.000 1.029 1089 V CA -0.451 62.047 62.300 0.331 0.000 0.870 1089 V CB 0.921 32.861 31.823 0.195 0.000 0.984 1089 V HN 0.915 nan 8.190 nan 0.000 0.451 1090 H N 4.364 123.645 119.070 0.351 0.000 2.690 1090 H HA 0.360 4.916 4.556 -0.000 0.000 0.289 1090 H C -0.296 175.078 175.328 0.076 0.000 1.089 1090 H CA -0.000 56.223 56.048 0.293 0.000 1.299 1090 H CB 1.439 31.415 29.762 0.356 0.000 1.405 1090 H HN 0.605 nan 8.280 nan 0.000 0.463 1091 S N 7.350 123.033 115.700 -0.027 0.000 2.139 1091 S HA 0.381 4.851 4.470 -0.000 0.000 0.183 1091 S C -0.665 173.862 174.600 -0.123 0.000 1.473 1091 S CA -0.614 57.566 58.200 -0.033 0.000 1.263 1091 S CB -0.770 62.458 63.200 0.047 0.000 1.170 1091 S HN 0.587 nan 8.310 nan 0.000 0.430 1092 I N 1.517 121.901 120.570 -0.310 0.000 2.608 1092 I HA 0.748 4.918 4.170 -0.000 0.000 0.295 1092 I C 0.273 176.335 176.117 -0.092 0.000 1.049 1092 I CA -0.855 60.307 61.300 -0.229 0.000 1.063 1092 I CB 2.410 40.197 38.000 -0.356 0.000 1.248 1092 I HN 0.513 nan 8.210 nan 0.000 0.424 1093 G N 4.709 113.517 108.800 0.013 0.000 2.732 1093 G HA2 0.693 4.653 3.960 -0.000 0.000 0.296 1093 G HA3 0.693 4.653 3.960 -0.000 0.000 0.296 1093 G C -2.093 172.918 174.900 0.186 0.000 1.448 1093 G CA -0.427 44.721 45.100 0.080 0.000 0.911 1093 G HN 0.458 nan 8.290 nan 0.000 0.528 1094 F N 0.682 120.611 119.950 -0.035 0.000 2.708 1094 F HA 0.718 5.245 4.527 -0.000 0.000 0.309 1094 F C -1.183 174.589 175.800 -0.046 0.000 1.120 1094 F CA -0.244 57.734 58.000 -0.037 0.000 0.978 1094 F CB 1.826 40.815 39.000 -0.020 0.000 1.283 1094 F HN 1.139 nan 8.300 nan 0.000 0.439 1095 A N 4.756 126.919 122.820 -1.094 0.000 2.517 1095 A HA 0.759 5.079 4.320 -0.000 0.000 0.297 1095 A C -3.148 173.721 177.584 -1.192 0.000 1.050 1095 A CA -1.740 49.797 52.037 -0.833 0.000 0.694 1095 A CB 1.585 20.331 19.000 -0.424 0.000 1.277 1095 A HN 0.378 nan 8.150 nan 0.000 0.400 1096 P HA 0.134 nan 4.420 nan 0.000 0.264 1096 P C 1.456 178.606 177.300 -0.250 0.000 1.193 1096 P CA 1.115 63.996 63.100 -0.364 0.000 0.763 1096 P CB 0.855 32.506 31.700 -0.082 0.000 0.810 1097 G N 4.619 113.328 108.800 -0.152 0.000 2.759 1097 G HA2 -0.387 3.573 3.960 -0.000 0.000 0.224 1097 G HA3 -0.387 3.573 3.960 -0.000 0.000 0.224 1097 G C 1.180 176.035 174.900 -0.074 0.000 1.173 1097 G CA 1.488 46.534 45.100 -0.090 0.000 0.770 1097 G HN 0.613 nan 8.290 nan 0.000 0.626 1098 D N 0.202 120.572 120.400 -0.049 0.000 2.149 1098 D HA -0.197 4.443 4.640 -0.000 0.000 0.194 1098 D C 2.071 178.349 176.300 -0.037 0.000 1.001 1098 D CA 1.563 55.544 54.000 -0.031 0.000 0.849 1098 D CB -0.747 40.042 40.800 -0.018 0.000 0.939 1098 D HN 0.359 nan 8.370 nan 0.000 0.449 1099 Q N 0.177 119.941 119.800 -0.060 0.000 2.234 1099 Q HA -0.011 4.329 4.340 -0.000 0.000 0.206 1099 Q C 1.476 177.461 176.000 -0.025 0.000 0.980 1099 Q CA 0.602 56.380 55.803 -0.042 0.000 0.869 1099 Q CB -0.175 28.521 28.738 -0.070 0.000 0.912 1099 Q HN 0.529 nan 8.270 nan 0.000 0.436 1100 L N 0.964 122.158 121.223 -0.048 0.000 3.047 1100 L HA 0.392 4.732 4.340 -0.000 0.000 0.242 1100 L C -0.603 176.278 176.870 0.019 0.000 1.315 1100 L CA -0.492 54.333 54.840 -0.024 0.000 1.042 1100 L CB 0.079 42.093 42.059 -0.075 0.000 1.420 1100 L HN -0.133 nan 8.230 nan 0.000 0.517 1101 D N 0.290 120.710 120.400 0.033 0.000 2.878 1101 D HA 0.558 5.198 4.640 -0.000 0.000 0.211 1101 D C 0.087 176.414 176.300 0.046 0.000 1.271 1101 D CA 0.728 54.752 54.000 0.040 0.000 0.845 1101 D CB 1.925 42.738 40.800 0.022 0.000 1.679 1101 D HN 0.329 nan 8.370 nan 0.000 0.536 1102 G N 2.844 111.677 108.800 0.055 0.000 2.782 1102 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.228 1102 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.228 1102 G C -0.273 174.670 174.900 0.072 0.000 1.372 1102 G CA -0.322 44.809 45.100 0.052 0.000 0.862 1102 G HN 0.789 nan 8.290 nan 0.000 0.547 1103 D N -0.225 120.212 120.400 0.062 0.000 2.662 1103 D HA -0.057 4.583 4.640 -0.000 0.000 0.233 1103 D C 1.371 177.725 176.300 0.090 0.000 1.129 1103 D CA 0.787 54.833 54.000 0.078 0.000 0.851 1103 D CB 0.236 41.063 40.800 0.045 0.000 1.152 1103 D HN 0.615 nan 8.370 nan 0.000 0.507 1104 Y N 4.715 125.042 120.300 0.044 0.000 2.097 1104 Y HA -0.263 4.287 4.550 -0.000 0.000 0.282 1104 Y C 1.901 177.829 175.900 0.047 0.000 1.152 1104 Y CA 1.717 59.847 58.100 0.050 0.000 1.136 1104 Y CB -0.496 38.003 38.460 0.065 0.000 0.975 1104 Y HN 0.325 nan 8.280 nan 0.000 0.498 1105 V N 1.523 121.254 119.914 -0.305 0.000 2.332 1105 V HA -0.356 3.764 4.120 -0.000 0.000 0.248 1105 V C 1.988 177.924 176.094 -0.263 0.000 1.055 1105 V CA 2.306 64.384 62.300 -0.369 0.000 1.038 1105 V CB -0.762 31.007 31.823 -0.089 0.000 0.651 1105 V HN 0.511 nan 8.190 nan 0.000 0.450 1106 N N 0.199 118.814 118.700 -0.141 0.000 2.396 1106 N HA -0.002 4.738 4.740 -0.000 0.000 0.180 1106 N C 1.736 177.185 175.510 -0.102 0.000 1.028 1106 N CA 1.342 54.333 53.050 -0.099 0.000 0.893 1106 N CB -0.224 38.235 38.487 -0.046 0.000 0.967 1106 N HN 0.517 nan 8.380 nan 0.000 0.440 1107 A N 0.755 123.504 122.820 -0.118 0.000 1.903 1107 A HA 0.056 4.376 4.320 -0.000 0.000 0.213 1107 A C 1.204 178.736 177.584 -0.086 0.000 1.185 1107 A CA 0.128 52.121 52.037 -0.073 0.000 0.628 1107 A CB -0.477 18.511 19.000 -0.020 0.000 0.830 1107 A HN 0.092 nan 8.150 nan 0.000 0.446 1108 V N 1.736 121.545 119.914 -0.175 0.000 2.872 1108 V HA 0.388 4.508 4.120 -0.000 0.000 0.307 1108 V C 0.532 176.585 176.094 -0.069 0.000 1.072 1108 V CA 1.061 63.296 62.300 -0.109 0.000 1.148 1108 V CB 0.975 32.657 31.823 -0.235 0.000 0.954 1108 V HN 0.765 nan 8.190 nan 0.000 0.490 1109 T N 3.164 117.723 114.554 0.008 0.000 2.883 1109 T HA 0.415 4.765 4.350 -0.000 0.000 0.296 1109 T C 0.711 175.438 174.700 0.045 0.000 1.117 1109 T CA -0.492 61.610 62.100 0.003 0.000 1.006 1109 T CB 1.517 70.389 68.868 0.007 0.000 1.191 1109 T HN 0.597 nan 8.240 nan 0.000 0.508 1110 R N -0.009 120.491 120.500 -0.000 0.000 2.081 1110 R HA -0.096 4.244 4.340 -0.000 0.000 0.235 1110 R C 1.939 178.295 176.300 0.094 0.000 1.131 1110 R CA 1.356 57.449 56.100 -0.011 0.000 0.960 1110 R CB -0.188 30.078 30.300 -0.055 0.000 0.856 1110 R HN 0.680 nan 8.270 nan 0.000 0.436 1111 E N -0.233 120.016 120.200 0.081 0.000 2.028 1111 E HA -0.091 4.259 4.350 -0.000 0.000 0.191 1111 E C 1.829 178.516 176.600 0.145 0.000 0.988 1111 E CA 1.511 57.972 56.400 0.102 0.000 0.799 1111 E CB -0.647 29.094 29.700 0.070 0.000 0.755 1111 E HN 0.508 nan 8.360 nan 0.000 0.447 1112 G N 0.390 109.266 108.800 0.126 0.000 2.446 1112 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.217 1112 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.217 1112 G C 1.631 176.647 174.900 0.192 0.000 1.168 1112 G CA 0.902 46.070 45.100 0.113 0.000 0.771 1112 G HN 0.351 nan 8.290 nan 0.000 0.551 1113 F N 1.876 121.879 119.950 0.088 0.000 2.069 1113 F HA -0.061 4.466 4.527 -0.000 0.000 0.298 1113 F C 2.598 178.526 175.800 0.214 0.000 1.113 1113 F CA 2.277 60.379 58.000 0.171 0.000 1.214 1113 F CB -0.185 38.870 39.000 0.092 0.000 0.978 1113 F HN 0.063 nan 8.300 nan 0.000 0.474 1114 K N 1.141 121.844 120.400 0.505 0.000 2.044 1114 K HA -0.237 4.083 4.320 -0.000 0.000 0.210 1114 K C 2.196 178.921 176.600 0.208 0.000 1.049 1114 K CA 2.455 58.939 56.287 0.328 0.000 0.927 1114 K CB -0.916 31.720 32.500 0.227 0.000 0.713 1114 K HN 0.503 nan 8.250 nan 0.000 0.443 1115 I N 0.877 121.557 120.570 0.184 0.000 2.202 1115 I HA -0.240 3.930 4.170 -0.000 0.000 0.242 1115 I C 2.560 178.775 176.117 0.163 0.000 1.091 1115 I CA 1.113 62.522 61.300 0.181 0.000 1.368 1115 I CB -0.347 37.776 38.000 0.205 0.000 1.058 1115 I HN 0.210 nan 8.210 nan 0.000 0.410 1116 A N 0.252 123.123 122.820 0.085 0.000 1.917 1116 A HA -0.296 4.024 4.320 -0.000 0.000 0.219 1116 A C 2.056 179.586 177.584 -0.090 0.000 1.182 1116 A CA 2.116 54.130 52.037 -0.038 0.000 0.633 1116 A CB -1.037 17.884 19.000 -0.131 0.000 0.819 1116 A HN 0.457 nan 8.150 nan 0.000 0.448 1117 H N -1.278 117.725 119.070 -0.112 0.000 2.395 1117 H HA -0.010 4.546 4.556 -0.000 0.000 0.299 1117 H C 1.922 177.297 175.328 0.079 0.000 1.070 1117 H CA 1.412 57.409 56.048 -0.085 0.000 1.356 1117 H CB -0.183 29.446 29.762 -0.223 0.000 1.401 1117 H HN 0.645 nan 8.280 nan 0.000 0.524 1118 D N 0.033 120.564 120.400 0.219 0.000 2.084 1118 D HA -0.127 4.513 4.640 -0.000 0.000 0.194 1118 D C 1.867 178.326 176.300 0.265 0.000 0.990 1118 D CA 1.128 55.280 54.000 0.254 0.000 0.826 1118 D CB 0.010 40.924 40.800 0.190 0.000 0.971 1118 D HN 0.108 nan 8.370 nan 0.000 0.453 1119 I N 0.334 121.030 120.570 0.209 0.000 2.286 1119 I HA -0.119 4.050 4.170 -0.000 0.000 0.245 1119 I C 2.191 178.422 176.117 0.191 0.000 1.104 1119 I CA 1.007 62.423 61.300 0.193 0.000 1.397 1119 I CB -1.201 36.927 38.000 0.214 0.000 1.072 1119 I HN 0.025 nan 8.210 nan 0.000 0.417 1120 S N -0.665 115.125 115.700 0.149 0.000 2.503 1120 S HA 0.018 4.488 4.470 -0.000 0.000 0.217 1120 S C 1.948 176.652 174.600 0.173 0.000 0.999 1120 S CA 0.814 59.098 58.200 0.140 0.000 0.914 1120 S CB 0.396 63.616 63.200 0.034 0.000 0.782 1120 S HN 0.444 nan 8.310 nan 0.000 0.520 1121 S N -0.220 115.576 115.700 0.159 0.000 3.148 1121 S HA 0.152 4.622 4.470 -0.000 0.000 0.246 1121 S C 1.494 176.212 174.600 0.196 0.000 1.041 1121 S CA -0.293 58.003 58.200 0.159 0.000 0.813 1121 S CB -0.677 62.594 63.200 0.118 0.000 0.813 1121 S HN 0.383 nan 8.310 nan 0.000 0.546 1122 Y N 3.407 123.801 120.300 0.156 0.000 2.207 1122 Y HA -0.109 4.441 4.550 -0.000 0.000 0.287 1122 Y C 2.586 178.594 175.900 0.180 0.000 1.156 1122 Y CA 2.109 60.297 58.100 0.147 0.000 1.182 1122 Y CB -0.735 37.799 38.460 0.123 0.000 0.979 1122 Y HN 0.486 nan 8.280 nan 0.000 0.521 1123 S N -0.521 115.215 115.700 0.060 0.000 2.400 1123 S HA -0.256 4.214 4.470 -0.000 0.000 0.232 1123 S C 2.002 176.705 174.600 0.172 0.000 1.025 1123 S CA 1.205 59.476 58.200 0.118 0.000 0.993 1123 S CB -1.345 62.030 63.200 0.293 0.000 0.808 1123 S HN 0.464 nan 8.310 nan 0.000 0.478 1124 F N 2.067 121.945 119.950 -0.121 0.000 2.113 1124 F HA 0.088 4.615 4.527 -0.000 0.000 0.297 1124 F C 2.438 178.171 175.800 -0.112 0.000 1.103 1124 F CA 1.092 58.886 58.000 -0.344 0.000 1.248 1124 F CB -0.880 37.749 39.000 -0.618 0.000 0.999 1124 F HN 0.193 nan 8.300 nan 0.000 0.475 1125 V N 0.287 120.054 119.914 -0.245 0.000 2.719 1125 V HA -0.013 4.107 4.120 -0.000 0.000 0.252 1125 V C 2.346 178.271 176.094 -0.282 0.000 1.065 1125 V CA 1.434 63.547 62.300 -0.311 0.000 1.086 1125 V CB -0.754 30.940 31.823 -0.215 0.000 0.700 1125 V HN 0.397 nan 8.190 nan 0.000 0.467 1126 A N -0.071 122.475 122.820 -0.457 0.000 1.858 1126 A HA -0.240 4.080 4.320 -0.000 0.000 0.216 1126 A C 2.219 179.781 177.584 -0.037 0.000 1.190 1126 A CA 2.405 54.276 52.037 -0.276 0.000 0.617 1126 A CB -0.552 18.267 19.000 -0.303 0.000 0.827 1126 A HN 0.534 nan 8.150 nan 0.000 0.443 1127 M N -0.654 118.950 119.600 0.006 0.000 2.149 1127 M HA -0.190 4.290 4.480 -0.000 0.000 0.261 1127 M C 2.528 178.891 176.300 0.105 0.000 1.064 1127 M CA 1.468 56.824 55.300 0.094 0.000 1.102 1127 M CB -0.458 32.055 32.600 -0.144 0.000 1.369 1127 M HN 0.531 nan 8.290 nan 0.000 0.408 1128 A N 0.427 123.308 122.820 0.102 0.000 1.841 1128 A HA -0.169 4.151 4.320 -0.000 0.000 0.214 1128 A C 2.084 179.652 177.584 -0.027 0.000 1.195 1128 A CA 1.677 53.762 52.037 0.080 0.000 0.611 1128 A CB -0.593 18.354 19.000 -0.087 0.000 0.835 1128 A HN 0.366 nan 8.150 nan 0.000 0.443 1129 K N -0.465 119.912 120.400 -0.039 0.000 2.032 1129 K HA -0.257 4.063 4.320 -0.000 0.000 0.218 1129 K C 2.241 178.824 176.600 -0.029 0.000 1.054 1129 K CA 1.653 57.926 56.287 -0.023 0.000 0.941 1129 K CB -0.442 32.066 32.500 0.013 0.000 0.720 1129 K HN 0.459 nan 8.250 nan 0.000 0.449 1130 A N 0.732 123.554 122.820 0.004 0.000 2.024 1130 A HA -0.190 4.130 4.320 -0.000 0.000 0.220 1130 A C 2.236 179.705 177.584 -0.192 0.000 1.164 1130 A CA 1.801 53.849 52.037 0.017 0.000 0.643 1130 A CB -0.725 18.411 19.000 0.227 0.000 0.806 1130 A HN 0.690 nan 8.150 nan 0.000 0.451 1131 C N -2.794 116.232 119.300 -0.456 0.000 3.125 1131 C HA 0.548 5.008 4.460 -0.000 0.000 0.284 1131 C C 1.974 176.784 174.990 -0.301 0.000 1.386 1131 C CA -0.170 58.466 59.018 -0.637 0.000 1.763 1131 C CB -1.226 25.724 27.740 -1.317 0.000 2.377 1131 C HN 0.613 nan 8.230 nan 0.000 0.620 1132 R N 2.827 123.213 120.500 -0.189 0.000 2.112 1132 R HA -0.184 4.156 4.340 -0.000 0.000 0.242 1132 R C 2.383 178.598 176.300 -0.142 0.000 1.137 1132 R CA 2.714 58.727 56.100 -0.146 0.000 0.944 1132 R CB -0.314 29.929 30.300 -0.096 0.000 0.857 1132 R HN 0.731 nan 8.270 nan 0.000 0.435 1133 S N -0.238 115.400 115.700 -0.103 0.000 2.469 1133 S HA -0.123 4.347 4.470 -0.000 0.000 0.238 1133 S C 1.828 176.376 174.600 -0.087 0.000 0.998 1133 S CA 1.173 59.326 58.200 -0.079 0.000 0.957 1133 S CB -0.159 63.016 63.200 -0.042 0.000 0.764 1133 S HN 0.372 nan 8.310 nan 0.000 0.514 1134 M N 0.759 120.295 119.600 -0.107 0.000 2.659 1134 M HA 0.284 4.764 4.480 -0.000 0.000 0.243 1134 M C -0.246 175.895 176.300 -0.264 0.000 1.111 1134 M CA 0.373 55.626 55.300 -0.077 0.000 1.070 1134 M CB -0.288 32.368 32.600 0.094 0.000 1.525 1134 M HN 0.247 nan 8.290 nan 0.000 0.517 1135 L N 1.382 122.401 121.223 -0.341 0.000 2.276 1135 L HA 0.224 4.564 4.340 -0.000 0.000 0.286 1135 L C 0.179 176.894 176.870 -0.259 0.000 1.061 1135 L CA -0.632 53.952 54.840 -0.428 0.000 0.807 1135 L CB 0.414 42.228 42.059 -0.408 0.000 1.177 1135 L HN 0.115 nan 8.230 nan 0.000 0.429 1136 N N 4.124 122.677 118.700 -0.244 0.000 2.482 1136 N HA 0.231 4.971 4.740 -0.000 0.000 0.260 1136 N C -2.351 173.074 175.510 -0.141 0.000 1.236 1136 N CA -1.184 51.771 53.050 -0.158 0.000 0.938 1136 N CB 0.384 38.788 38.487 -0.138 0.000 1.128 1136 N HN 0.301 nan 8.380 nan 0.000 0.448 1137 P HA 0.128 nan 4.420 nan 0.000 0.271 1137 P C 0.626 177.867 177.300 -0.098 0.000 1.218 1137 P CA 0.221 63.263 63.100 -0.097 0.000 0.780 1137 P CB 0.644 32.299 31.700 -0.075 0.000 0.901 1138 G N 0.987 109.727 108.800 -0.099 0.000 2.195 1138 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.224 1138 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.224 1138 G C 0.329 175.162 174.900 -0.112 0.000 0.990 1138 G CA -0.118 44.925 45.100 -0.095 0.000 0.639 1138 G HN 0.568 nan 8.290 nan 0.000 0.514 1139 S N 0.246 115.865 115.700 -0.136 0.000 2.584 1139 S HA 0.670 5.140 4.470 -0.000 0.000 0.270 1139 S C 0.435 174.944 174.600 -0.151 0.000 1.346 1139 S CA 0.556 58.661 58.200 -0.158 0.000 1.018 1139 S CB 1.632 64.702 63.200 -0.217 0.000 0.899 1139 S HN 1.750 nan 8.310 nan 0.000 0.542 1140 A N 2.110 124.839 122.820 -0.151 0.000 2.427 1140 A HA 0.654 4.974 4.320 -0.000 0.000 0.298 1140 A C -1.005 176.467 177.584 -0.187 0.000 1.036 1140 A CA -0.682 51.266 52.037 -0.148 0.000 0.701 1140 A CB 0.788 19.715 19.000 -0.121 0.000 1.250 1140 A HN 0.712 nan 8.150 nan 0.000 0.412 1141 L N 2.288 123.386 121.223 -0.209 0.000 2.309 1141 L HA 0.667 5.007 4.340 -0.000 0.000 0.282 1141 L C -0.928 175.924 176.870 -0.029 0.000 1.036 1141 L CA -0.885 53.787 54.840 -0.280 0.000 0.806 1141 L CB 1.608 43.443 42.059 -0.374 0.000 1.220 1141 L HN 0.677 nan 8.230 nan 0.000 0.429 1142 L N 2.584 123.816 121.223 0.015 0.000 2.438 1142 L HA 0.589 4.929 4.340 -0.000 0.000 0.270 1142 L C -0.405 176.437 176.870 -0.047 0.000 0.972 1142 L CA 0.250 55.110 54.840 0.033 0.000 0.831 1142 L CB 2.145 44.218 42.059 0.024 0.000 1.273 1142 L HN 0.588 nan 8.230 nan 0.000 0.405 1143 T N 4.135 118.535 114.554 -0.256 0.000 2.910 1143 T HA 0.778 5.127 4.350 -0.000 0.000 0.287 1143 T C -1.204 173.411 174.700 -0.141 0.000 1.050 1143 T CA -0.487 61.377 62.100 -0.393 0.000 1.011 1143 T CB 1.004 69.185 68.868 -1.145 0.000 1.195 1143 T HN 0.502 nan 8.240 nan 0.000 0.540 1144 L N 2.242 123.432 121.223 -0.055 0.000 2.333 1144 L HA 0.677 5.017 4.340 -0.000 0.000 0.280 1144 L C 0.074 176.958 176.870 0.025 0.000 1.004 1144 L CA -0.349 54.493 54.840 0.003 0.000 0.820 1144 L CB 1.981 44.063 42.059 0.039 0.000 1.247 1144 L HN 0.596 nan 8.230 nan 0.000 0.416 1145 S N 1.724 117.443 115.700 0.033 0.000 2.841 1145 S HA 0.753 5.223 4.470 -0.000 0.000 0.318 1145 S C -1.797 172.897 174.600 0.157 0.000 1.127 1145 S CA -0.340 57.904 58.200 0.073 0.000 0.883 1145 S CB 1.428 64.635 63.200 0.011 0.000 1.271 1145 S HN 0.426 nan 8.310 nan 0.000 0.567 1146 Y N 0.366 120.656 120.300 -0.016 0.000 2.581 1146 Y HA 0.425 4.975 4.550 -0.000 0.000 0.337 1146 Y C 0.190 176.040 175.900 -0.082 0.000 1.108 1146 Y CA -0.888 57.166 58.100 -0.077 0.000 1.033 1146 Y CB 0.956 39.322 38.460 -0.156 0.000 1.318 1146 Y HN 0.532 nan 8.280 nan 0.000 0.459 1147 L N 3.626 124.219 121.223 -1.048 0.000 2.197 1147 L HA -0.012 4.328 4.340 -0.000 0.000 0.215 1147 L C 1.939 178.481 176.870 -0.546 0.000 1.095 1147 L CA 2.695 57.113 54.840 -0.703 0.000 0.764 1147 L CB -0.972 40.677 42.059 -0.684 0.000 0.897 1147 L HN 1.017 nan 8.230 nan 0.000 0.436 1148 G N -1.368 106.994 108.800 -0.731 0.000 2.501 1148 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.220 1148 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.220 1148 G C 1.526 176.437 174.900 0.017 0.000 1.114 1148 G CA 0.699 45.669 45.100 -0.216 0.000 0.757 1148 G HN 0.639 nan 8.290 nan 0.000 0.559 1149 A N 0.357 123.175 122.820 -0.004 0.000 2.016 1149 A HA 0.160 4.480 4.320 -0.000 0.000 0.217 1149 A C 2.090 179.688 177.584 0.023 0.000 1.162 1149 A CA 1.443 53.510 52.037 0.051 0.000 0.662 1149 A CB -0.044 18.988 19.000 0.054 0.000 0.812 1149 A HN 0.454 nan 8.150 nan 0.000 0.450 1150 E N -0.935 119.258 120.200 -0.010 0.000 2.340 1150 E HA 0.103 4.453 4.350 -0.000 0.000 0.198 1150 E C 0.116 176.712 176.600 -0.005 0.000 0.961 1150 E CA 0.114 56.517 56.400 0.005 0.000 0.905 1150 E CB 0.366 30.078 29.700 0.021 0.000 0.884 1150 E HN 0.407 nan 8.360 nan 0.000 0.491 1151 R N 0.219 120.704 120.500 -0.024 0.000 2.808 1151 R HA 0.612 4.952 4.340 -0.000 0.000 0.272 1151 R C -1.087 175.209 176.300 -0.007 0.000 0.995 1151 R CA -0.830 55.261 56.100 -0.013 0.000 0.917 1151 R CB 1.650 31.942 30.300 -0.014 0.000 1.217 1151 R HN -0.076 nan 8.270 nan 0.000 0.471 1152 A N 2.693 125.516 122.820 0.006 0.000 2.354 1152 A HA 0.472 4.791 4.320 -0.000 0.000 0.281 1152 A C -0.028 177.582 177.584 0.043 0.000 1.174 1152 A CA -0.229 51.817 52.037 0.015 0.000 0.828 1152 A CB -0.011 18.990 19.000 0.002 0.000 1.099 1152 A HN 0.569 nan 8.150 nan 0.000 0.516 1153 I N 4.068 124.687 120.570 0.082 0.000 2.406 1153 I HA 0.278 4.448 4.170 -0.000 0.000 0.290 1153 I C -2.273 173.928 176.117 0.141 0.000 0.999 1153 I CA -2.297 59.066 61.300 0.104 0.000 1.124 1153 I CB 2.229 40.296 38.000 0.112 0.000 1.289 1153 I HN 0.430 nan 8.210 nan 0.000 0.441 1154 P HA 0.007 nan 4.420 nan 0.000 0.261 1154 P C 0.041 177.427 177.300 0.144 0.000 1.173 1154 P CA 0.636 63.801 63.100 0.109 0.000 0.760 1154 P CB 0.233 31.974 31.700 0.069 0.000 0.783 1155 N N 0.462 119.252 118.700 0.150 0.000 2.884 1155 N HA -0.288 4.452 4.740 -0.000 0.000 0.210 1155 N C 0.917 176.536 175.510 0.182 0.000 0.941 1155 N CA 1.378 54.517 53.050 0.149 0.000 1.131 1155 N CB -1.869 36.692 38.487 0.123 0.000 0.965 1155 N HN 0.458 nan 8.380 nan 0.000 0.591 1156 Y N 2.937 123.287 120.300 0.084 0.000 2.403 1156 Y HA -0.166 4.384 4.550 -0.000 0.000 0.291 1156 Y C 1.505 177.448 175.900 0.073 0.000 1.143 1156 Y CA 1.955 60.103 58.100 0.081 0.000 1.257 1156 Y CB -0.083 38.456 38.460 0.131 0.000 0.984 1156 Y HN 0.149 nan 8.280 nan 0.000 0.550 1157 N N -0.541 118.241 118.700 0.138 0.000 1.104 1157 N HA -0.384 4.356 4.740 -0.000 0.000 0.137 1157 N C 1.474 177.011 175.510 0.046 0.000 0.520 1157 N CA 2.054 55.202 53.050 0.164 0.000 0.935 1157 N CB -1.494 37.198 38.487 0.340 0.000 1.411 1157 N HN 0.287 nan 8.380 nan 0.000 0.508 1158 V N 1.036 121.063 119.914 0.187 0.000 2.594 1158 V HA -0.160 3.960 4.120 -0.000 0.000 0.253 1158 V C 2.397 178.417 176.094 -0.123 0.000 1.069 1158 V CA 1.687 64.077 62.300 0.151 0.000 1.082 1158 V CB -0.364 31.596 31.823 0.229 0.000 0.680 1158 V HN 0.329 nan 8.190 nan 0.000 0.469 1159 M N 0.157 119.558 119.600 -0.331 0.000 2.149 1159 M HA -0.108 4.372 4.480 -0.000 0.000 0.261 1159 M C 2.227 178.382 176.300 -0.242 0.000 1.064 1159 M CA 1.866 56.847 55.300 -0.532 0.000 1.102 1159 M CB -1.943 29.927 32.600 -1.216 0.000 1.369 1159 M HN 0.453 nan 8.290 nan 0.000 0.408 1160 G N -0.201 108.585 108.800 -0.024 0.000 2.440 1160 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.218 1160 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.218 1160 G C 1.476 176.417 174.900 0.068 0.000 1.154 1160 G CA 0.658 45.911 45.100 0.256 0.000 0.767 1160 G HN 0.382 nan 8.290 nan 0.000 0.552 1161 L N 1.131 122.345 121.223 -0.014 0.000 2.083 1161 L HA 0.099 4.439 4.340 -0.000 0.000 0.209 1161 L C 3.214 180.003 176.870 -0.136 0.000 1.083 1161 L CA 1.738 56.595 54.840 0.027 0.000 0.752 1161 L CB -0.556 41.609 42.059 0.178 0.000 0.899 1161 L HN 0.272 nan 8.230 nan 0.000 0.433 1162 A N -1.283 121.267 122.820 -0.450 0.000 1.970 1162 A HA -0.098 4.222 4.320 -0.000 0.000 0.216 1162 A C 2.267 179.737 177.584 -0.190 0.000 1.170 1162 A CA 0.956 52.595 52.037 -0.663 0.000 0.645 1162 A CB -0.240 18.322 19.000 -0.730 0.000 0.816 1162 A HN 0.161 nan 8.150 nan 0.000 0.447 1163 K N 0.192 120.564 120.400 -0.047 0.000 2.148 1163 K HA -0.012 4.308 4.320 -0.000 0.000 0.204 1163 K C 2.190 178.821 176.600 0.052 0.000 1.050 1163 K CA 1.237 57.558 56.287 0.057 0.000 0.942 1163 K CB -0.658 31.953 32.500 0.184 0.000 0.724 1163 K HN 0.447 nan 8.250 nan 0.000 0.446 1164 A N 0.830 123.681 122.820 0.052 0.000 1.898 1164 A HA -0.160 4.160 4.320 -0.000 0.000 0.216 1164 A C 2.430 180.064 177.584 0.084 0.000 1.181 1164 A CA 2.158 54.237 52.037 0.070 0.000 0.620 1164 A CB -0.702 18.344 19.000 0.078 0.000 0.819 1164 A HN 0.319 nan 8.150 nan 0.000 0.442 1165 S N -0.602 115.148 115.700 0.083 0.000 2.359 1165 S HA -0.177 4.293 4.470 -0.000 0.000 0.224 1165 S C 1.967 176.631 174.600 0.106 0.000 1.035 1165 S CA 1.661 59.929 58.200 0.113 0.000 1.018 1165 S CB -0.499 62.795 63.200 0.157 0.000 0.876 1165 S HN 0.529 nan 8.310 nan 0.000 0.448 1166 L N 1.873 123.142 121.223 0.076 0.000 2.042 1166 L HA -0.063 4.277 4.340 -0.000 0.000 0.210 1166 L C 2.205 179.132 176.870 0.095 0.000 1.076 1166 L CA 2.134 57.023 54.840 0.083 0.000 0.749 1166 L CB -0.788 41.291 42.059 0.034 0.000 0.893 1166 L HN 0.391 nan 8.230 nan 0.000 0.432 1167 E N -0.530 119.718 120.200 0.079 0.000 2.107 1167 E HA -0.137 4.213 4.350 -0.000 0.000 0.191 1167 E C 2.157 178.833 176.600 0.127 0.000 0.982 1167 E CA 0.925 57.373 56.400 0.080 0.000 0.809 1167 E CB -0.283 29.450 29.700 0.054 0.000 0.756 1167 E HN 0.659 nan 8.360 nan 0.000 0.459 1168 A N 1.687 124.597 122.820 0.150 0.000 1.930 1168 A HA -0.219 4.101 4.320 -0.000 0.000 0.217 1168 A C 1.909 179.670 177.584 0.295 0.000 1.175 1168 A CA 1.504 53.675 52.037 0.224 0.000 0.627 1168 A CB -0.753 18.367 19.000 0.199 0.000 0.815 1168 A HN 0.237 nan 8.150 nan 0.000 0.443 1169 N N -0.253 118.577 118.700 0.217 0.000 2.104 1169 N HA -0.152 4.588 4.740 -0.000 0.000 0.190 1169 N C 1.636 177.293 175.510 0.245 0.000 1.024 1169 N CA 1.367 54.550 53.050 0.223 0.000 0.853 1169 N CB -0.132 38.483 38.487 0.213 0.000 1.008 1169 N HN 0.213 nan 8.380 nan 0.000 0.424 1170 V N 1.301 121.366 119.914 0.252 0.000 2.282 1170 V HA -0.271 3.849 4.120 -0.000 0.000 0.249 1170 V C 2.328 178.507 176.094 0.142 0.000 1.057 1170 V CA 1.756 64.199 62.300 0.238 0.000 1.032 1170 V CB -0.480 31.442 31.823 0.164 0.000 0.645 1170 V HN 0.361 nan 8.190 nan 0.000 0.447 1171 R N -1.680 118.900 120.500 0.133 0.000 2.075 1171 R HA -0.125 4.215 4.340 -0.000 0.000 0.232 1171 R C 2.312 178.597 176.300 -0.024 0.000 1.126 1171 R CA 1.729 57.852 56.100 0.038 0.000 0.963 1171 R CB -0.406 29.898 30.300 0.008 0.000 0.858 1171 R HN 0.508 nan 8.270 nan 0.000 0.435 1172 Y N 0.327 120.643 120.300 0.027 0.000 2.314 1172 Y HA -0.080 4.470 4.550 -0.000 0.000 0.293 1172 Y C 2.300 178.192 175.900 -0.013 0.000 1.129 1172 Y CA 1.202 59.310 58.100 0.013 0.000 1.201 1172 Y CB -0.105 38.371 38.460 0.026 0.000 0.999 1172 Y HN -0.012 nan 8.280 nan 0.000 0.541 1173 M N -1.175 118.492 119.600 0.112 0.000 2.200 1173 M HA -0.142 4.338 4.480 -0.000 0.000 0.265 1173 M C 2.439 178.714 176.300 -0.042 0.000 1.066 1173 M CA 1.498 56.791 55.300 -0.012 0.000 1.127 1173 M CB -0.261 32.266 32.600 -0.122 0.000 1.379 1173 M HN 0.277 nan 8.290 nan 0.000 0.420 1174 A N 0.233 123.038 122.820 -0.025 0.000 1.930 1174 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 1174 A C 1.923 179.472 177.584 -0.058 0.000 1.175 1174 A CA 1.723 53.731 52.037 -0.047 0.000 0.627 1174 A CB -0.992 17.988 19.000 -0.034 0.000 0.815 1174 A HN 0.589 nan 8.150 nan 0.000 0.443 1175 N N 0.086 118.744 118.700 -0.069 0.000 2.244 1175 N HA -0.093 4.647 4.740 -0.000 0.000 0.183 1175 N C 1.864 177.342 175.510 -0.054 0.000 1.016 1175 N CA 1.101 54.102 53.050 -0.082 0.000 0.866 1175 N CB -0.114 38.288 38.487 -0.143 0.000 0.980 1175 N HN 0.395 nan 8.380 nan 0.000 0.430 1176 A N 0.952 123.753 122.820 -0.032 0.000 1.897 1176 A HA -0.012 4.308 4.320 -0.000 0.000 0.215 1176 A C 2.048 179.608 177.584 -0.039 0.000 1.181 1176 A CA 0.920 52.946 52.037 -0.019 0.000 0.620 1176 A CB -0.216 18.788 19.000 0.007 0.000 0.821 1176 A HN 0.323 nan 8.150 nan 0.000 0.443 1177 M N -0.671 118.895 119.600 -0.057 0.000 2.509 1177 M HA 0.117 4.597 4.480 -0.000 0.000 0.250 1177 M C 2.081 178.336 176.300 -0.075 0.000 1.132 1177 M CA 0.603 55.859 55.300 -0.073 0.000 1.080 1177 M CB -0.122 32.419 32.600 -0.099 0.000 1.408 1177 M HN 0.422 nan 8.290 nan 0.000 0.484 1178 G N 2.445 111.204 108.800 -0.067 0.000 2.476 1178 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.218 1178 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.218 1178 G C -0.909 173.956 174.900 -0.059 0.000 1.164 1178 G CA 0.822 45.883 45.100 -0.065 0.000 0.768 1178 G HN 0.339 nan 8.290 nan 0.000 0.560 1179 P HA -0.045 nan 4.420 nan 0.000 0.216 1179 P C 1.200 178.470 177.300 -0.050 0.000 1.150 1179 P CA 1.247 64.319 63.100 -0.046 0.000 0.843 1179 P CB 0.002 31.679 31.700 -0.039 0.000 0.787 1180 E N -1.864 118.301 120.200 -0.058 0.000 2.502 1180 E HA 0.261 4.611 4.350 -0.000 0.000 0.194 1180 E C 1.254 177.809 176.600 -0.075 0.000 1.062 1180 E CA 0.666 57.028 56.400 -0.064 0.000 0.867 1180 E CB -0.659 28.999 29.700 -0.070 0.000 0.888 1180 E HN 0.189 nan 8.360 nan 0.000 0.510 1181 G N -0.374 108.381 108.800 -0.076 0.000 2.138 1181 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.193 1181 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.193 1181 G C -0.035 174.804 174.900 -0.101 0.000 0.998 1181 G CA -0.018 45.032 45.100 -0.083 0.000 0.668 1181 G HN 0.138 nan 8.290 nan 0.000 0.516 1182 V N 0.621 120.470 119.914 -0.107 0.000 2.513 1182 V HA 0.711 4.831 4.120 -0.000 0.000 0.299 1182 V C 0.647 176.674 176.094 -0.112 0.000 1.035 1182 V CA -0.952 61.273 62.300 -0.126 0.000 0.889 1182 V CB 1.707 33.440 31.823 -0.149 0.000 0.988 1182 V HN 0.355 nan 8.190 nan 0.000 0.440 1183 R N 2.025 122.456 120.500 -0.115 0.000 2.674 1183 R HA 0.904 5.244 4.340 -0.000 0.000 0.266 1183 R C -1.576 174.665 176.300 -0.099 0.000 1.016 1183 R CA -0.715 55.326 56.100 -0.098 0.000 1.062 1183 R CB 2.160 32.399 30.300 -0.101 0.000 1.142 1183 R HN 0.528 nan 8.270 nan 0.000 0.517 1184 V N 2.238 122.114 119.914 -0.063 0.000 2.697 1184 V HA 0.372 4.491 4.120 -0.000 0.000 0.300 1184 V C -0.928 175.185 176.094 0.031 0.000 1.115 1184 V CA -0.983 61.307 62.300 -0.017 0.000 0.912 1184 V CB 1.845 33.651 31.823 -0.027 0.000 1.024 1184 V HN 0.830 nan 8.190 nan 0.000 0.431 1185 N N 1.768 120.500 118.700 0.054 0.000 2.853 1185 N HA 0.893 5.633 4.740 -0.000 0.000 0.258 1185 N C -0.816 174.709 175.510 0.025 0.000 1.444 1185 N CA -0.407 52.663 53.050 0.034 0.000 0.837 1185 N CB 2.741 41.230 38.487 0.004 0.000 1.489 1185 N HN 0.843 nan 8.380 nan 0.000 0.529 1186 A N 0.255 123.073 122.820 -0.004 0.000 2.469 1186 A HA 0.774 5.094 4.320 -0.000 0.000 0.299 1186 A C -1.137 176.427 177.584 -0.034 0.000 1.098 1186 A CA -0.541 51.471 52.037 -0.041 0.000 0.737 1186 A CB 1.225 20.188 19.000 -0.061 0.000 1.312 1186 A HN 0.549 nan 8.150 nan 0.000 0.414 1187 I N 1.137 121.688 120.570 -0.031 0.000 2.406 1187 I HA 0.330 4.500 4.170 -0.000 0.000 0.290 1187 I C 0.234 176.324 176.117 -0.045 0.000 0.999 1187 I CA -0.332 60.956 61.300 -0.021 0.000 1.124 1187 I CB 2.068 40.082 38.000 0.023 0.000 1.289 1187 I HN 0.549 nan 8.210 nan 0.000 0.441 1188 S N 6.087 121.717 115.700 -0.116 0.000 2.415 1188 S HA 0.623 5.093 4.470 -0.000 0.000 0.313 1188 S C -0.096 174.501 174.600 -0.005 0.000 1.067 1188 S CA -0.563 57.568 58.200 -0.116 0.000 1.099 1188 S CB 0.270 63.246 63.200 -0.374 0.000 0.991 1188 S HN 0.632 nan 8.310 nan 0.000 0.491 1189 A N 4.137 127.007 122.820 0.083 0.000 2.327 1189 A HA 0.739 5.059 4.320 -0.000 0.000 0.283 1189 A C 0.880 178.577 177.584 0.188 0.000 1.127 1189 A CA -0.279 51.827 52.037 0.115 0.000 0.810 1189 A CB 0.296 19.353 19.000 0.095 0.000 1.066 1189 A HN 0.924 nan 8.150 nan 0.000 0.492 1190 G N 1.251 110.130 108.800 0.132 0.000 2.667 1190 G HA2 0.473 4.432 3.960 -0.000 0.000 0.250 1190 G HA3 0.473 4.432 3.960 -0.000 0.000 0.250 1190 G C -2.322 172.628 174.900 0.083 0.000 1.212 1190 G CA -0.969 44.197 45.100 0.111 0.000 0.874 1190 G HN 0.619 nan 8.290 nan 0.000 0.561 1191 P HA 0.274 nan 4.420 nan 0.000 0.271 1191 P C -0.690 176.618 177.300 0.012 0.000 1.220 1191 P CA 0.254 63.308 63.100 -0.076 0.000 0.768 1191 P CB 1.056 32.583 31.700 -0.288 0.000 0.848 1192 I N 3.267 123.942 120.570 0.175 0.000 2.499 1192 I HA 0.307 4.477 4.170 -0.000 0.000 0.288 1192 I C 0.892 177.215 176.117 0.343 0.000 1.048 1192 I CA -1.267 60.154 61.300 0.202 0.000 1.062 1192 I CB 2.389 40.457 38.000 0.114 0.000 1.238 1192 I HN 0.281 nan 8.210 nan 0.000 0.426 1193 R N 4.173 124.886 120.500 0.355 0.000 2.435 1193 R HA 0.285 4.625 4.340 -0.000 0.000 0.325 1193 R C -0.338 175.951 176.300 -0.018 0.000 1.149 1193 R CA -0.048 56.156 56.100 0.174 0.000 0.995 1193 R CB -0.137 30.299 30.300 0.226 0.000 1.008 1193 R HN 0.708 nan 8.270 nan 0.000 0.470 1194 T N -0.284 114.192 114.554 -0.130 0.000 2.858 1194 T HA 0.269 4.619 4.350 -0.000 0.000 0.285 1194 T C 1.392 176.008 174.700 -0.141 0.000 1.052 1194 T CA -1.191 60.857 62.100 -0.086 0.000 1.009 1194 T CB 1.046 69.894 68.868 -0.033 0.000 1.241 1194 T HN 0.298 nan 8.240 nan 0.000 0.542 1195 L N 0.820 121.994 121.223 -0.081 0.000 1.965 1195 L HA -0.201 4.139 4.340 -0.000 0.000 0.226 1195 L C 3.122 179.932 176.870 -0.101 0.000 1.083 1195 L CA 2.598 57.394 54.840 -0.073 0.000 0.790 1195 L CB -1.578 40.463 42.059 -0.030 0.000 0.898 1195 L HN 1.005 nan 8.230 nan 0.000 0.439 1196 A N -1.069 121.706 122.820 -0.075 0.000 2.298 1196 A HA -0.039 4.281 4.320 -0.000 0.000 0.215 1196 A C 2.044 179.542 177.584 -0.143 0.000 1.193 1196 A CA 1.851 53.847 52.037 -0.067 0.000 0.697 1196 A CB -0.493 18.495 19.000 -0.020 0.000 0.774 1196 A HN 0.605 nan 8.150 nan 0.000 0.492 1197 A N -0.945 121.704 122.820 -0.284 0.000 1.995 1197 A HA 0.234 4.554 4.320 -0.000 0.000 0.200 1197 A C 2.146 179.421 177.584 -0.514 0.000 1.566 1197 A CA 1.102 52.837 52.037 -0.505 0.000 0.895 1197 A CB -0.855 17.494 19.000 -1.085 0.000 1.046 1197 A HN 1.045 nan 8.150 nan 0.000 0.523 1198 S N 0.335 115.738 115.700 -0.496 0.000 2.461 1198 S HA -0.105 4.365 4.470 -0.000 0.000 0.249 1198 S C 1.596 176.114 174.600 -0.137 0.000 1.012 1198 S CA 1.627 59.654 58.200 -0.287 0.000 0.982 1198 S CB -0.929 62.161 63.200 -0.183 0.000 0.764 1198 S HN 0.903 nan 8.310 nan 0.000 0.506 1199 G N 1.236 109.964 108.800 -0.120 0.000 2.985 1199 G HA2 0.402 4.362 3.960 -0.000 0.000 0.209 1199 G HA3 0.402 4.362 3.960 -0.000 0.000 0.209 1199 G C 0.489 175.369 174.900 -0.034 0.000 1.165 1199 G CA 0.058 45.123 45.100 -0.058 0.000 0.776 1199 G HN 0.788 nan 8.290 nan 0.000 0.541 1200 I N -2.483 118.068 120.570 -0.032 0.000 2.498 1200 I HA 0.577 4.747 4.170 -0.000 0.000 0.290 1200 I C 0.203 176.365 176.117 0.076 0.000 1.032 1200 I CA -1.167 60.144 61.300 0.019 0.000 1.073 1200 I CB 1.916 39.929 38.000 0.021 0.000 1.251 1200 I HN 0.275 nan 8.210 nan 0.000 0.426 1201 K N 4.464 124.907 120.400 0.071 0.000 2.147 1201 K HA -0.243 4.077 4.320 -0.000 0.000 0.260 1201 K C -0.759 175.901 176.600 0.100 0.000 1.616 1201 K CA 1.596 57.933 56.287 0.083 0.000 0.716 1201 K CB -1.005 31.551 32.500 0.094 0.000 0.803 1201 K HN 0.782 nan 8.250 nan 0.000 0.884 1202 D N 0.319 120.775 120.400 0.092 0.000 2.881 1202 D HA 0.084 4.724 4.640 -0.000 0.000 0.240 1202 D C 0.738 177.104 176.300 0.111 0.000 1.249 1202 D CA 0.065 54.116 54.000 0.085 0.000 0.839 1202 D CB -0.422 40.405 40.800 0.044 0.000 1.042 1202 D HN 0.370 nan 8.370 nan 0.000 0.475 1203 F N 2.950 122.898 119.950 -0.002 0.000 2.176 1203 F HA -0.335 4.192 4.527 -0.000 0.000 0.301 1203 F C 2.425 178.221 175.800 -0.006 0.000 1.071 1203 F CA 1.678 59.672 58.000 -0.011 0.000 1.289 1203 F CB 0.196 39.185 39.000 -0.017 0.000 1.028 1203 F HN 0.072 nan 8.300 nan 0.000 0.494 1204 R N 0.016 120.623 120.500 0.178 0.000 2.075 1204 R HA -0.094 4.246 4.340 -0.000 0.000 0.232 1204 R C 1.832 178.142 176.300 0.017 0.000 1.126 1204 R CA 1.141 57.300 56.100 0.099 0.000 0.963 1204 R CB -0.864 29.498 30.300 0.103 0.000 0.858 1204 R HN 0.240 nan 8.270 nan 0.000 0.435 1205 K N 0.835 121.244 120.400 0.015 0.000 2.155 1205 K HA 0.018 4.338 4.320 -0.000 0.000 0.203 1205 K C 2.071 178.663 176.600 -0.015 0.000 1.052 1205 K CA 0.714 57.005 56.287 0.006 0.000 0.948 1205 K CB -0.222 32.286 32.500 0.012 0.000 0.728 1205 K HN 0.244 nan 8.250 nan 0.000 0.448 1206 M N 0.862 120.416 119.600 -0.076 0.000 2.132 1206 M HA -0.112 4.368 4.480 -0.000 0.000 0.263 1206 M C 1.975 178.188 176.300 -0.145 0.000 1.065 1206 M CA 1.307 56.534 55.300 -0.122 0.000 1.122 1206 M CB -0.210 32.256 32.600 -0.224 0.000 1.365 1206 M HN 0.055 nan 8.290 nan 0.000 0.411 1207 L N 0.282 121.356 121.223 -0.247 0.000 2.046 1207 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 1207 L C 2.745 179.567 176.870 -0.081 0.000 1.077 1207 L CA 1.293 56.006 54.840 -0.213 0.000 0.747 1207 L CB -0.930 41.012 42.059 -0.195 0.000 0.896 1207 L HN 0.374 nan 8.230 nan 0.000 0.432 1208 A N -0.478 122.324 122.820 -0.029 0.000 1.908 1208 A HA -0.321 3.999 4.320 -0.000 0.000 0.218 1208 A C 2.090 179.694 177.584 0.033 0.000 1.181 1208 A CA 2.113 54.155 52.037 0.008 0.000 0.627 1208 A CB -0.878 18.137 19.000 0.025 0.000 0.818 1208 A HN 0.579 nan 8.150 nan 0.000 0.445 1209 H N -1.054 117.995 119.070 -0.036 0.000 2.353 1209 H HA -0.145 4.411 4.556 -0.000 0.000 0.300 1209 H C 2.014 177.354 175.328 0.020 0.000 1.090 1209 H CA 2.157 58.204 56.048 -0.001 0.000 1.327 1209 H CB -0.617 29.144 29.762 -0.002 0.000 1.383 1209 H HN 0.408 nan 8.280 nan 0.000 0.508 1210 C N 0.870 120.124 119.300 -0.077 0.000 2.432 1210 C HA -0.095 4.365 4.460 -0.000 0.000 0.277 1210 C C 2.530 177.482 174.990 -0.063 0.000 1.249 1210 C CA 1.337 60.277 59.018 -0.130 0.000 1.725 1210 C CB -0.681 26.927 27.740 -0.219 0.000 2.028 1210 C HN 0.712 nan 8.230 nan 0.000 0.477 1211 E N 0.749 120.916 120.200 -0.055 0.000 2.209 1211 E HA -0.184 4.166 4.350 -0.000 0.000 0.196 1211 E C 2.214 178.797 176.600 -0.028 0.000 0.993 1211 E CA 1.340 57.723 56.400 -0.028 0.000 0.819 1211 E CB -0.192 29.496 29.700 -0.020 0.000 0.745 1211 E HN 0.716 nan 8.360 nan 0.000 0.477 1212 A N 0.921 123.708 122.820 -0.055 0.000 1.898 1212 A HA -0.082 4.238 4.320 -0.000 0.000 0.214 1212 A C 2.359 179.902 177.584 -0.069 0.000 1.183 1212 A CA 1.284 53.287 52.037 -0.057 0.000 0.622 1212 A CB -0.222 18.741 19.000 -0.061 0.000 0.824 1212 A HN 0.216 nan 8.150 nan 0.000 0.444 1213 V N -3.291 116.559 119.914 -0.108 0.000 3.647 1213 V HA 0.177 4.297 4.120 -0.000 0.000 0.279 1213 V C 0.625 176.712 176.094 -0.012 0.000 1.314 1213 V CA 0.401 62.651 62.300 -0.084 0.000 1.125 1213 V CB -0.902 30.823 31.823 -0.163 0.000 0.907 1213 V HN 0.204 nan 8.190 nan 0.000 0.434 1214 T N 3.319 117.907 114.554 0.056 0.000 2.851 1214 T HA 0.265 4.615 4.350 -0.000 0.000 0.298 1214 T C -1.443 173.271 174.700 0.024 0.000 0.977 1214 T CA -0.285 61.873 62.100 0.096 0.000 1.126 1214 T CB 1.493 70.436 68.868 0.125 0.000 0.916 1214 T HN 0.223 nan 8.240 nan 0.000 0.529 1215 P HA -0.139 nan 4.420 nan 0.000 0.216 1215 P C 1.440 178.738 177.300 -0.003 0.000 1.157 1215 P CA 1.081 64.173 63.100 -0.012 0.000 0.880 1215 P CB -0.147 31.541 31.700 -0.021 0.000 0.791 1216 I N -5.242 115.334 120.570 0.009 0.000 3.444 1216 I HA 0.125 4.295 4.170 -0.000 0.000 0.287 1216 I C 0.018 176.140 176.117 0.007 0.000 1.302 1216 I CA 0.238 61.543 61.300 0.007 0.000 1.368 1216 I CB -0.509 37.499 38.000 0.012 0.000 1.048 1216 I HN -0.166 nan 8.210 nan 0.000 0.487 1217 R N 2.077 122.582 120.500 0.008 0.000 3.641 1217 R HA -0.185 4.155 4.340 -0.000 0.000 0.286 1217 R C -0.375 175.928 176.300 0.005 0.000 1.153 1217 R CA 1.269 57.371 56.100 0.003 0.000 0.775 1217 R CB -1.979 28.319 30.300 -0.002 0.000 1.215 1217 R HN 0.900 nan 8.270 nan 0.000 0.474 1218 R N -2.946 117.560 120.500 0.010 0.000 2.690 1218 R HA 0.383 4.723 4.340 -0.000 0.000 0.269 1218 R C -0.601 175.704 176.300 0.009 0.000 1.037 1218 R CA -0.486 55.618 56.100 0.007 0.000 0.877 1218 R CB 0.801 31.107 30.300 0.010 0.000 1.255 1218 R HN 0.002 nan 8.270 nan 0.000 0.467 1219 T N -0.885 113.669 114.554 0.001 0.000 2.899 1219 T HA 0.466 4.816 4.350 -0.000 0.000 0.284 1219 T C 0.901 175.611 174.700 0.016 0.000 1.004 1219 T CA -0.381 61.718 62.100 -0.003 0.000 1.043 1219 T CB 1.321 70.173 68.868 -0.026 0.000 1.013 1219 T HN 0.719 nan 8.240 nan 0.000 0.518 1220 V N 0.179 120.107 119.914 0.024 0.000 3.133 1220 V HA 0.728 4.848 4.120 -0.000 0.000 0.305 1220 V C 0.416 176.534 176.094 0.040 0.000 1.084 1220 V CA -0.418 61.903 62.300 0.035 0.000 1.089 1220 V CB 0.509 32.359 31.823 0.044 0.000 1.073 1220 V HN 1.304 nan 8.190 nan 0.000 0.477 1221 T N 0.331 114.910 114.554 0.042 0.000 2.940 1221 T HA 0.558 4.908 4.350 -0.000 0.000 0.288 1221 T C 1.080 175.810 174.700 0.050 0.000 1.045 1221 T CA -0.137 61.991 62.100 0.047 0.000 1.018 1221 T CB 1.472 70.366 68.868 0.042 0.000 1.151 1221 T HN 1.065 nan 8.240 nan 0.000 0.529 1222 I N -1.547 119.056 120.570 0.055 0.000 2.567 1222 I HA -0.005 4.165 4.170 -0.000 0.000 0.257 1222 I C 1.826 177.967 176.117 0.039 0.000 1.184 1222 I CA 1.117 62.449 61.300 0.054 0.000 1.451 1222 I CB -0.655 37.387 38.000 0.069 0.000 1.089 1222 I HN 0.481 nan 8.210 nan 0.000 0.441 1223 E N 1.832 122.053 120.200 0.036 0.000 2.072 1223 E HA -0.170 4.180 4.350 -0.000 0.000 0.191 1223 E C 1.833 178.456 176.600 0.039 0.000 0.985 1223 E CA 1.423 57.840 56.400 0.029 0.000 0.801 1223 E CB -0.311 29.406 29.700 0.029 0.000 0.750 1223 E HN 0.520 nan 8.360 nan 0.000 0.452 1224 D N -0.043 120.382 120.400 0.041 0.000 2.092 1224 D HA -0.140 4.500 4.640 -0.000 0.000 0.193 1224 D C 2.024 178.356 176.300 0.052 0.000 0.994 1224 D CA 1.236 55.261 54.000 0.042 0.000 0.828 1224 D CB -0.255 40.569 40.800 0.039 0.000 0.963 1224 D HN 0.039 nan 8.370 nan 0.000 0.450 1225 V N 1.137 121.084 119.914 0.055 0.000 2.343 1225 V HA -0.160 3.960 4.120 -0.000 0.000 0.247 1225 V C 2.585 178.722 176.094 0.071 0.000 1.051 1225 V CA 1.981 64.319 62.300 0.063 0.000 1.036 1225 V CB -1.023 30.836 31.823 0.061 0.000 0.654 1225 V HN 0.232 nan 8.190 nan 0.000 0.451 1226 G N 0.209 109.044 108.800 0.058 0.000 2.446 1226 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.217 1226 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.217 1226 G C 1.472 176.430 174.900 0.097 0.000 1.168 1226 G CA 1.001 46.135 45.100 0.057 0.000 0.771 1226 G HN 0.501 nan 8.290 nan 0.000 0.551 1227 N N 0.835 119.596 118.700 0.102 0.000 2.058 1227 N HA -0.084 4.656 4.740 -0.000 0.000 0.191 1227 N C 2.612 178.238 175.510 0.194 0.000 1.037 1227 N CA 1.443 54.586 53.050 0.155 0.000 0.848 1227 N CB -0.540 38.013 38.487 0.111 0.000 1.021 1227 N HN 0.214 nan 8.380 nan 0.000 0.422 1228 S N 0.941 116.724 115.700 0.138 0.000 2.368 1228 S HA -0.072 4.398 4.470 -0.000 0.000 0.225 1228 S C 2.089 176.836 174.600 0.245 0.000 1.030 1228 S CA 1.123 59.430 58.200 0.178 0.000 0.999 1228 S CB -0.318 62.951 63.200 0.115 0.000 0.844 1228 S HN 0.506 nan 8.310 nan 0.000 0.459 1229 A N 1.835 124.756 122.820 0.168 0.000 1.858 1229 A HA 0.042 4.362 4.320 -0.000 0.000 0.216 1229 A C 2.412 180.097 177.584 0.169 0.000 1.190 1229 A CA 1.843 53.963 52.037 0.139 0.000 0.617 1229 A CB -1.313 17.747 19.000 0.101 0.000 0.827 1229 A HN 0.527 nan 8.150 nan 0.000 0.443 1230 A N -1.010 121.938 122.820 0.214 0.000 1.917 1230 A HA -0.151 4.169 4.320 -0.000 0.000 0.219 1230 A C 2.088 179.921 177.584 0.415 0.000 1.182 1230 A CA 1.935 54.141 52.037 0.283 0.000 0.633 1230 A CB -0.813 18.368 19.000 0.302 0.000 0.819 1230 A HN 0.853 nan 8.150 nan 0.000 0.448 1231 F N 0.454 120.541 119.950 0.227 0.000 2.075 1231 F HA -0.109 4.418 4.527 -0.000 0.000 0.297 1231 F C 1.871 177.679 175.800 0.014 0.000 1.113 1231 F CA 1.804 59.821 58.000 0.028 0.000 1.218 1231 F CB -0.423 38.526 39.000 -0.085 0.000 0.984 1231 F HN 0.128 nan 8.300 nan 0.000 0.472 1232 L N -0.500 120.644 121.223 -0.131 0.000 2.187 1232 L HA -0.270 4.070 4.340 -0.000 0.000 0.213 1232 L C 2.170 178.914 176.870 -0.209 0.000 1.100 1232 L CA 0.951 55.633 54.840 -0.264 0.000 0.765 1232 L CB -0.802 41.245 42.059 -0.020 0.000 0.904 1232 L HN 0.308 nan 8.230 nan 0.000 0.437 1233 C N -0.777 118.472 119.300 -0.084 0.000 2.697 1233 C HA 0.110 4.570 4.460 -0.000 0.000 0.267 1233 C C 1.677 176.638 174.990 -0.048 0.000 1.278 1233 C CA -0.206 58.781 59.018 -0.052 0.000 1.708 1233 C CB -1.258 26.492 27.740 0.015 0.000 1.860 1233 C HN 0.542 nan 8.230 nan 0.000 0.589 1234 S N -0.166 115.488 115.700 -0.077 0.000 2.747 1234 S HA 0.359 4.829 4.470 -0.000 0.000 0.300 1234 S C 0.196 174.722 174.600 -0.123 0.000 1.121 1234 S CA -0.249 57.939 58.200 -0.020 0.000 0.995 1234 S CB 0.840 64.145 63.200 0.176 0.000 1.113 1234 S HN 0.170 nan 8.310 nan 0.000 0.547 1235 D N 0.309 120.672 120.400 -0.061 0.000 2.371 1235 D HA 0.114 4.754 4.640 -0.000 0.000 0.221 1235 D C 1.465 177.700 176.300 -0.108 0.000 0.986 1235 D CA 0.478 54.429 54.000 -0.081 0.000 0.899 1235 D CB -0.390 40.389 40.800 -0.036 0.000 0.902 1235 D HN 0.472 nan 8.370 nan 0.000 0.530 1236 L N 0.212 121.350 121.223 -0.142 0.000 2.376 1236 L HA -0.053 4.287 4.340 -0.000 0.000 0.219 1236 L C 1.471 178.213 176.870 -0.214 0.000 1.133 1236 L CA 0.808 55.574 54.840 -0.123 0.000 0.816 1236 L CB -0.130 41.868 42.059 -0.102 0.000 0.933 1236 L HN -0.004 nan 8.230 nan 0.000 0.449 1237 S N -1.337 114.074 115.700 -0.482 0.000 2.561 1237 S HA 0.332 4.802 4.470 -0.000 0.000 0.245 1237 S C 1.576 176.027 174.600 -0.249 0.000 1.001 1237 S CA 0.080 57.963 58.200 -0.529 0.000 1.002 1237 S CB 0.603 63.132 63.200 -1.118 0.000 0.805 1237 S HN 0.199 nan 8.310 nan 0.000 0.458 1238 A N 1.707 124.429 122.820 -0.163 0.000 2.032 1238 A HA 0.107 4.427 4.320 -0.000 0.000 0.221 1238 A C 2.038 179.573 177.584 -0.080 0.000 1.165 1238 A CA 1.505 53.476 52.037 -0.110 0.000 0.645 1238 A CB -1.143 17.809 19.000 -0.079 0.000 0.807 1238 A HN 0.720 nan 8.150 nan 0.000 0.453 1239 G N -1.232 107.532 108.800 -0.060 0.000 2.985 1239 G HA2 0.378 4.338 3.960 -0.000 0.000 0.209 1239 G HA3 0.378 4.338 3.960 -0.000 0.000 0.209 1239 G C 0.368 175.250 174.900 -0.030 0.000 1.165 1239 G CA -0.123 44.955 45.100 -0.035 0.000 0.776 1239 G HN 0.426 nan 8.290 nan 0.000 0.541 1240 I N 0.804 121.345 120.570 -0.048 0.000 2.354 1240 I HA 0.512 4.682 4.170 -0.000 0.000 0.292 1240 I C -0.482 175.606 176.117 -0.049 0.000 0.989 1240 I CA -0.460 60.821 61.300 -0.032 0.000 1.188 1240 I CB 2.033 40.022 38.000 -0.018 0.000 1.342 1240 I HN -0.056 nan 8.210 nan 0.000 0.457 1241 S N 3.308 118.989 115.700 -0.032 0.000 2.535 1241 S HA 0.587 5.057 4.470 -0.000 0.000 0.272 1241 S C 0.190 174.778 174.600 -0.021 0.000 1.149 1241 S CA 0.237 58.416 58.200 -0.036 0.000 0.888 1241 S CB 1.601 64.771 63.200 -0.049 0.000 1.110 1241 S HN 1.113 nan 8.310 nan 0.000 0.463 1242 G N 2.300 111.093 108.800 -0.011 0.000 2.160 1242 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.251 1242 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.251 1242 G C -0.239 174.669 174.900 0.013 0.000 1.008 1242 G CA 0.812 45.913 45.100 0.002 0.000 0.724 1242 G HN 0.790 nan 8.290 nan 0.000 0.514 1243 E N -0.467 119.741 120.200 0.014 0.000 2.231 1243 E HA 0.605 4.954 4.350 -0.000 0.000 0.277 1243 E C 0.026 176.635 176.600 0.016 0.000 0.999 1243 E CA -0.661 55.752 56.400 0.022 0.000 0.827 1243 E CB 1.590 31.307 29.700 0.029 0.000 1.101 1243 E HN 0.260 nan 8.360 nan 0.000 0.393 1244 V N 5.185 125.104 119.914 0.008 0.000 2.294 1244 V HA 0.246 4.366 4.120 -0.000 0.000 0.272 1244 V C -0.532 175.511 176.094 -0.085 0.000 1.027 1244 V CA -0.820 61.448 62.300 -0.054 0.000 0.823 1244 V CB 1.123 32.895 31.823 -0.085 0.000 1.030 1244 V HN 0.520 nan 8.190 nan 0.000 0.457 1245 V N 4.839 124.719 119.914 -0.057 0.000 2.461 1245 V HA 0.257 4.377 4.120 -0.000 0.000 0.275 1245 V C 0.063 176.102 176.094 -0.092 0.000 1.047 1245 V CA -0.622 61.678 62.300 0.000 0.000 0.955 1245 V CB 0.706 32.570 31.823 0.067 0.000 0.988 1245 V HN 0.837 nan 8.190 nan 0.000 0.471 1246 H N 3.102 122.190 119.070 0.030 0.000 2.864 1246 H HA 0.338 4.894 4.556 -0.000 0.000 0.281 1246 H C -0.060 175.290 175.328 0.037 0.000 1.093 1246 H CA -0.198 55.868 56.048 0.031 0.000 1.453 1246 H CB 0.795 30.570 29.762 0.021 0.000 1.462 1246 H HN 0.374 nan 8.280 nan 0.000 0.480 1247 V N 4.557 124.529 119.914 0.096 0.000 2.205 1247 V HA 0.080 4.200 4.120 -0.000 0.000 0.263 1247 V C 0.122 176.273 176.094 0.094 0.000 1.138 1247 V CA -0.288 62.061 62.300 0.082 0.000 1.059 1247 V CB 0.125 31.985 31.823 0.062 0.000 1.232 1247 V HN 0.900 nan 8.190 nan 0.000 0.469 1248 D N 1.204 121.676 120.400 0.120 0.000 2.582 1248 D HA 0.168 4.808 4.640 -0.000 0.000 0.246 1248 D C 1.225 177.601 176.300 0.127 0.000 1.334 1248 D CA 0.337 54.414 54.000 0.128 0.000 0.805 1248 D CB 0.668 41.576 40.800 0.181 0.000 1.087 1248 D HN 0.524 nan 8.370 nan 0.000 0.499 1249 G N 0.382 109.237 108.800 0.092 0.000 2.168 1249 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.257 1249 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.257 1249 G C 1.232 176.173 174.900 0.067 0.000 0.997 1249 G CA 0.653 45.795 45.100 0.070 0.000 0.708 1249 G HN 1.460 nan 8.290 nan 0.000 0.520 1250 G N -1.554 107.289 108.800 0.073 0.000 2.157 1250 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.248 1250 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.248 1250 G C 1.040 175.946 174.900 0.009 0.000 0.979 1250 G CA 1.098 46.211 45.100 0.020 0.000 0.650 1250 G HN 1.627 nan 8.290 nan 0.000 0.529 1251 F N 2.925 122.856 119.950 -0.031 0.000 2.063 1251 F HA -0.196 4.331 4.527 -0.000 0.000 0.298 1251 F C 2.675 178.442 175.800 -0.055 0.000 1.109 1251 F CA 3.090 61.065 58.000 -0.041 0.000 1.212 1251 F CB -0.510 38.476 39.000 -0.022 0.000 0.973 1251 F HN 0.550 nan 8.300 nan 0.000 0.480 1252 S N 0.328 115.955 115.700 -0.121 0.000 2.481 1252 S HA -0.116 4.354 4.470 -0.000 0.000 0.231 1252 S C 1.486 175.924 174.600 -0.270 0.000 0.996 1252 S CA 0.853 58.925 58.200 -0.214 0.000 0.942 1252 S CB -1.226 61.950 63.200 -0.039 0.000 0.768 1252 S HN 0.506 nan 8.310 nan 0.000 0.520 1253 I N -0.567 119.862 120.570 -0.235 0.000 3.861 1253 I HA 0.653 4.823 4.170 -0.000 0.000 0.329 1253 I C 0.512 176.513 176.117 -0.194 0.000 1.321 1253 I CA -1.292 59.889 61.300 -0.199 0.000 1.126 1253 I CB -0.506 37.401 38.000 -0.156 0.000 1.018 1253 I HN 0.319 nan 8.210 nan 0.000 0.407 1254 A N 0.824 123.484 122.820 -0.266 0.000 2.387 1254 A HA 0.996 5.316 4.320 -0.000 0.000 0.298 1254 A C -0.613 176.817 177.584 -0.256 0.000 1.165 1254 A CA -0.184 51.715 52.037 -0.230 0.000 0.814 1254 A CB 1.247 20.117 19.000 -0.215 0.000 1.357 1254 A HN 0.598 nan 8.150 nan 0.000 0.443 1255 A N -0.137 122.575 122.820 -0.180 0.000 2.547 1255 A HA 0.629 4.949 4.320 -0.000 0.000 0.297 1255 A C -0.084 177.443 177.584 -0.094 0.000 1.056 1255 A CA -0.078 51.871 52.037 -0.146 0.000 0.688 1255 A CB 0.301 19.234 19.000 -0.111 0.000 1.282 1255 A HN 1.712 nan 8.150 nan 0.000 0.400 1256 M N 0.963 120.524 119.600 -0.065 0.000 2.461 1256 M HA -0.234 4.246 4.480 -0.000 0.000 0.203 1256 M C 0.583 176.864 176.300 -0.031 0.000 0.428 1256 M CA 1.000 56.283 55.300 -0.028 0.000 0.509 1256 M CB -2.008 30.578 32.600 -0.024 0.000 1.851 1256 M HN 0.921 nan 8.290 nan 0.000 0.834 1257 N N 0.984 119.654 118.700 -0.051 0.000 2.331 1257 N HA -0.134 4.606 4.740 -0.000 0.000 0.180 1257 N C 1.665 177.160 175.510 -0.025 0.000 1.019 1257 N CA 1.199 54.219 53.050 -0.050 0.000 0.881 1257 N CB 0.058 38.497 38.487 -0.079 0.000 0.972 1257 N HN 0.646 nan 8.380 nan 0.000 0.435 1258 E N 1.676 121.876 120.200 -0.001 0.000 2.118 1258 E HA -0.180 4.169 4.350 -0.000 0.000 0.195 1258 E C 0.977 177.593 176.600 0.027 0.000 0.992 1258 E CA 0.636 57.055 56.400 0.032 0.000 0.804 1258 E CB -0.564 29.204 29.700 0.114 0.000 0.741 1258 E HN 0.366 nan 8.360 nan 0.000 0.458 1259 L N 0.000 121.235 121.223 0.020 0.000 2.949 1259 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 1259 L CA 0.000 54.848 54.840 0.013 0.000 0.813 1259 L CB 0.000 42.063 42.059 0.006 0.000 0.961 1259 L HN 0.000 nan 8.230 nan 0.000 0.502