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 3bu6_1_A DATA FIRST_RESID 987 DATA SEQUENCE DEWEVSREKI TLLRELGQGS FGMVYEGNAR DIIKGEAETR VAVKTVNESA DATA SEQUENCE SLRERIEFLN EASVMKGFTC HHVVRLLGVV SKGQPTLVVM ELMAHGDLKS DATA SEQUENCE YLRSLRPEAE NNPGRPPPTL QEMIQMAAEI ADGMAYLNAK KFVHRDLAAR DATA SEQUENCE NCMVAHDFTV KIGDFGMTRD IXETDXXRKG GKGLLPVRWM APESLKDGVF DATA SEQUENCE TTSSDMWSFG VVLWEITSLA EQPYQGLSNE QVLKFVMDGG YLDQPDNCPE DATA SEQUENCE RVTDLMRMCW QFNPNMRPTF LEIVNLLKDD LHPSFPEVSF FHSEENK 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 987 D HA 0.000 nan 4.640 nan 0.000 0.175 987 D C 0.000 176.302 176.300 0.004 0.000 2.045 987 D CA 0.000 54.027 54.000 0.046 0.000 0.868 987 D CB 0.000 40.817 40.800 0.028 0.000 0.688 988 E N -0.641 119.529 120.200 -0.050 0.000 2.160 988 E HA 0.006 4.359 4.350 0.005 0.000 0.195 988 E C 1.692 178.089 176.600 -0.338 0.000 0.991 988 E CA 1.830 58.089 56.400 -0.234 0.000 0.810 988 E CB -1.060 28.424 29.700 -0.360 0.000 0.742 988 E HN 0.814 nan 8.360 nan 0.000 0.466 989 W N -0.084 121.199 121.300 -0.027 0.000 2.942 989 W HA 0.326 4.988 4.660 0.003 0.000 0.263 989 W C 0.888 177.392 176.519 -0.024 0.000 1.296 989 W CA -0.091 57.235 57.345 -0.032 0.000 1.504 989 W CB 0.589 30.022 29.460 -0.046 0.000 1.096 989 W HN 0.115 nan 8.180 nan 0.000 0.639 990 E N 1.146 121.440 120.200 0.156 0.000 2.417 990 E HA 0.158 4.511 4.350 0.005 0.000 0.261 990 E C -0.588 176.049 176.600 0.061 0.000 1.000 990 E CA 0.227 56.686 56.400 0.097 0.000 0.919 990 E CB 0.540 30.278 29.700 0.062 0.000 0.955 990 E HN -0.233 nan 8.360 nan 0.000 0.455 991 V N 3.953 123.904 119.914 0.062 0.000 2.555 991 V HA 0.274 4.398 4.120 0.005 0.000 0.302 991 V C 0.100 176.212 176.094 0.029 0.000 1.038 991 V CA -0.938 61.387 62.300 0.040 0.000 0.887 991 V CB 1.899 33.752 31.823 0.049 0.000 0.991 991 V HN 0.706 nan 8.190 nan 0.000 0.434 992 S N 3.057 118.768 115.700 0.017 0.000 2.516 992 S HA 0.122 4.596 4.470 0.005 0.000 0.282 992 S C 1.322 175.928 174.600 0.011 0.000 1.286 992 S CA -0.154 58.053 58.200 0.011 0.000 1.066 992 S CB 0.174 63.376 63.200 0.005 0.000 0.884 992 S HN 0.760 nan 8.310 nan 0.000 0.491 993 R N 2.870 123.376 120.500 0.009 0.000 2.139 993 R HA -0.185 4.159 4.340 0.005 0.000 0.243 993 R C 1.754 178.053 176.300 -0.001 0.000 1.145 993 R CA 2.315 58.418 56.100 0.005 0.000 0.976 993 R CB -0.232 30.070 30.300 0.003 0.000 0.866 993 R HN 0.880 nan 8.270 nan 0.000 0.449 994 E N 0.148 120.346 120.200 -0.003 0.000 2.265 994 E HA -0.172 4.181 4.350 0.005 0.000 0.196 994 E C 1.335 177.932 176.600 -0.006 0.000 0.996 994 E CA 1.301 57.697 56.400 -0.006 0.000 0.832 994 E CB -0.085 29.611 29.700 -0.006 0.000 0.756 994 E HN 0.290 nan 8.360 nan 0.000 0.491 995 K N -0.038 120.361 120.400 -0.002 0.000 2.418 995 K HA 0.091 4.414 4.320 0.005 0.000 0.195 995 K C -0.143 176.456 176.600 -0.001 0.000 1.035 995 K CA 0.165 56.451 56.287 -0.001 0.000 1.003 995 K CB 0.318 32.819 32.500 0.002 0.000 0.793 995 K HN 0.153 nan 8.250 nan 0.000 0.494 996 I N 1.554 122.123 120.570 -0.002 0.000 2.339 996 I HA 0.141 4.314 4.170 0.005 0.000 0.290 996 I C -0.271 175.835 176.117 -0.019 0.000 0.994 996 I CA -0.150 61.148 61.300 -0.004 0.000 1.191 996 I CB 1.384 39.386 38.000 0.003 0.000 1.343 996 I HN -0.190 nan 8.210 nan 0.000 0.458 997 T N 6.872 121.414 114.554 -0.020 0.000 2.786 997 T HA 0.459 4.813 4.350 0.005 0.000 0.283 997 T C -0.103 174.571 174.700 -0.042 0.000 0.992 997 T CA -0.542 61.538 62.100 -0.033 0.000 0.954 997 T CB 1.403 70.257 68.868 -0.023 0.000 0.934 997 T HN 0.081 nan 8.240 nan 0.000 0.440 998 L N 4.186 125.356 121.223 -0.089 0.000 2.367 998 L HA 0.362 4.705 4.340 0.005 0.000 0.275 998 L C 0.972 177.808 176.870 -0.056 0.000 1.129 998 L CA 0.124 54.890 54.840 -0.123 0.000 0.839 998 L CB 0.294 42.140 42.059 -0.355 0.000 1.133 998 L HN 0.704 nan 8.230 nan 0.000 0.453 999 L N 3.240 124.472 121.223 0.014 0.000 2.435 999 L HA 0.317 4.660 4.340 0.005 0.000 0.195 999 L C 0.493 177.408 176.870 0.075 0.000 1.072 999 L CA 0.052 54.912 54.840 0.034 0.000 0.833 999 L CB 0.119 42.197 42.059 0.032 0.000 1.081 999 L HN 0.700 nan 8.230 nan 0.000 0.485 1000 R N -0.489 120.095 120.500 0.140 0.000 2.733 1000 R HA 0.388 4.732 4.340 0.005 0.000 0.272 1000 R C -1.340 175.091 176.300 0.218 0.000 1.029 1000 R CA -0.822 55.372 56.100 0.157 0.000 0.888 1000 R CB 1.159 31.507 30.300 0.079 0.000 1.251 1000 R HN -0.168 nan 8.270 nan 0.000 0.464 1001 E N 1.154 121.422 120.200 0.114 0.000 2.289 1001 E HA 0.129 4.483 4.350 0.005 0.000 0.278 1001 E C 0.225 176.787 176.600 -0.063 0.000 1.032 1001 E CA -0.220 56.135 56.400 -0.077 0.000 0.854 1001 E CB 1.307 30.934 29.700 -0.123 0.000 1.046 1001 E HN 0.427 nan 8.360 nan 0.000 0.409 1002 L N 1.988 123.150 121.223 -0.102 0.000 2.249 1002 L HA 0.217 4.560 4.340 0.005 0.000 0.207 1002 L C 1.007 177.832 176.870 -0.074 0.000 1.090 1002 L CA 0.430 55.235 54.840 -0.058 0.000 0.802 1002 L CB 0.133 42.171 42.059 -0.034 0.000 0.947 1002 L HN 0.733 nan 8.230 nan 0.000 0.453 1003 G N -0.450 108.274 108.800 -0.127 0.000 2.337 1003 G HA2 0.044 4.008 3.960 0.005 0.000 0.310 1003 G HA3 0.044 4.008 3.960 0.005 0.000 0.310 1003 G C -1.602 173.221 174.900 -0.128 0.000 1.534 1003 G CA -0.861 44.176 45.100 -0.105 0.000 0.982 1003 G HN -0.112 nan 8.290 nan 0.000 0.672 1004 Q N 0.410 120.147 119.800 -0.105 0.000 2.271 1004 Q HA 0.531 4.874 4.340 0.005 0.000 0.273 1004 Q C 0.910 176.854 176.000 -0.094 0.000 1.051 1004 Q CA 1.185 56.928 55.803 -0.100 0.000 0.901 1004 Q CB 0.585 29.277 28.738 -0.076 0.000 1.174 1004 Q HN 1.178 nan 8.270 nan 0.000 0.385 1005 G N 2.027 110.772 108.800 -0.091 0.000 2.525 1005 G HA2 0.210 4.173 3.960 0.005 0.000 0.287 1005 G HA3 0.210 4.173 3.960 0.005 0.000 0.287 1005 G C 0.497 175.285 174.900 -0.187 0.000 1.350 1005 G CA -0.108 44.929 45.100 -0.106 0.000 1.039 1005 G HN 0.710 nan 8.290 nan 0.000 0.513 1006 S N -0.800 114.692 115.700 -0.348 0.000 2.359 1006 S HA -0.129 4.344 4.470 0.005 0.000 0.223 1006 S C 1.615 175.819 174.600 -0.660 0.000 1.039 1006 S CA 1.842 59.614 58.200 -0.713 0.000 1.042 1006 S CB -0.352 62.023 63.200 -1.375 0.000 0.915 1006 S HN 0.468 nan 8.310 nan 0.000 0.439 1007 F N 0.214 120.210 119.950 0.078 0.000 2.682 1007 F HA 0.500 5.029 4.527 0.004 0.000 0.308 1007 F C 1.084 176.859 175.800 -0.042 0.000 1.093 1007 F CA -0.017 58.009 58.000 0.043 0.000 1.244 1007 F CB 0.899 39.975 39.000 0.126 0.000 1.052 1007 F HN 0.319 nan 8.300 nan 0.000 0.573 1008 G N 0.066 108.905 108.800 0.065 0.000 2.320 1008 G HA2 0.354 4.317 3.960 0.005 0.000 0.296 1008 G HA3 0.354 4.317 3.960 0.005 0.000 0.296 1008 G C -1.802 173.082 174.900 -0.026 0.000 1.306 1008 G CA -1.128 43.972 45.100 -0.001 0.000 0.836 1008 G HN -0.161 nan 8.290 nan 0.000 0.517 1009 M N 0.966 120.525 119.600 -0.068 0.000 2.238 1009 M HA 0.496 4.979 4.480 0.005 0.000 0.350 1009 M C -0.060 176.099 176.300 -0.235 0.000 1.321 1009 M CA -0.239 54.927 55.300 -0.223 0.000 1.097 1009 M CB 0.720 33.092 32.600 -0.380 0.000 1.713 1009 M HN 0.347 nan 8.290 nan 0.000 0.455 1010 V N 7.333 127.096 119.914 -0.252 0.000 2.481 1010 V HA 0.386 4.509 4.120 0.005 0.000 0.286 1010 V C -0.840 175.077 176.094 -0.295 0.000 1.042 1010 V CA -0.489 61.729 62.300 -0.137 0.000 0.928 1010 V CB 0.808 32.609 31.823 -0.037 0.000 0.986 1010 V HN 0.744 nan 8.190 nan 0.000 0.462 1011 Y N 1.379 121.698 120.300 0.032 0.000 2.468 1011 Y HA 0.460 5.012 4.550 0.004 0.000 0.342 1011 Y C 0.350 176.261 175.900 0.018 0.000 1.021 1011 Y CA -0.830 57.283 58.100 0.022 0.000 1.079 1011 Y CB 1.501 39.973 38.460 0.021 0.000 1.226 1011 Y HN 0.627 nan 8.280 nan 0.000 0.460 1012 E N 1.113 121.414 120.200 0.168 0.000 2.338 1012 E HA 0.532 4.885 4.350 0.005 0.000 0.272 1012 E C -0.328 176.336 176.600 0.106 0.000 1.029 1012 E CA -0.171 56.291 56.400 0.102 0.000 0.872 1012 E CB 0.666 30.401 29.700 0.058 0.000 1.015 1012 E HN 0.881 nan 8.360 nan 0.000 0.417 1013 G N 2.968 111.809 108.800 0.068 0.000 2.766 1013 G HA2 0.284 4.247 3.960 0.005 0.000 0.288 1013 G HA3 0.284 4.247 3.960 0.005 0.000 0.288 1013 G C -1.189 173.724 174.900 0.021 0.000 1.408 1013 G CA -0.679 44.446 45.100 0.041 0.000 0.852 1013 G HN 0.521 nan 8.290 nan 0.000 0.487 1014 N N -0.026 118.679 118.700 0.009 0.000 2.372 1014 N HA 0.648 5.392 4.740 0.005 0.000 0.285 1014 N C -0.741 174.771 175.510 0.004 0.000 1.008 1014 N CA -0.205 52.847 53.050 0.003 0.000 0.880 1014 N CB 1.972 40.458 38.487 -0.002 0.000 1.239 1014 N HN 0.739 nan 8.380 nan 0.000 0.484 1015 A N 2.930 125.753 122.820 0.006 0.000 2.304 1015 A HA 0.540 4.863 4.320 0.005 0.000 0.314 1015 A C -0.034 177.551 177.584 0.002 0.000 1.187 1015 A CA -0.677 51.364 52.037 0.008 0.000 0.810 1015 A CB 0.902 19.912 19.000 0.017 0.000 1.183 1015 A HN 0.560 nan 8.150 nan 0.000 0.487 1016 R N 2.246 122.746 120.500 0.000 0.000 2.349 1016 R HA 0.342 4.685 4.340 0.005 0.000 0.299 1016 R C -0.780 175.518 176.300 -0.003 0.000 1.027 1016 R CA -0.440 55.658 56.100 -0.003 0.000 0.958 1016 R CB 0.545 30.842 30.300 -0.005 0.000 1.047 1016 R HN 0.788 nan 8.270 nan 0.000 0.468 1017 D N 1.922 122.319 120.400 -0.006 0.000 2.708 1017 D HA -0.236 4.407 4.640 0.005 0.000 0.236 1017 D C 0.367 176.662 176.300 -0.009 0.000 1.146 1017 D CA 0.861 54.856 54.000 -0.009 0.000 0.662 1017 D CB -0.654 40.139 40.800 -0.011 0.000 1.059 1017 D HN 0.611 nan 8.370 nan 0.000 0.428 1018 I N -0.804 119.763 120.570 -0.004 0.000 2.927 1018 I HA 0.081 4.254 4.170 0.005 0.000 0.268 1018 I C 0.720 176.833 176.117 -0.008 0.000 1.153 1018 I CA 0.374 61.674 61.300 -0.000 0.000 1.459 1018 I CB 0.561 38.571 38.000 0.016 0.000 1.149 1018 I HN -0.054 nan 8.210 nan 0.000 0.443 1019 I N 1.836 122.401 120.570 -0.008 0.000 2.382 1019 I HA 0.174 4.348 4.170 0.005 0.000 0.286 1019 I C -0.046 176.061 176.117 -0.016 0.000 1.002 1019 I CA -0.672 60.621 61.300 -0.011 0.000 1.135 1019 I CB 1.436 39.434 38.000 -0.004 0.000 1.288 1019 I HN -0.058 nan 8.210 nan 0.000 0.448 1020 K N 4.838 125.224 120.400 -0.022 0.000 2.504 1020 K HA 0.079 4.402 4.320 0.005 0.000 0.278 1020 K C 1.062 177.653 176.600 -0.016 0.000 1.025 1020 K CA 1.449 57.723 56.287 -0.022 0.000 1.093 1020 K CB 0.126 32.610 32.500 -0.026 0.000 0.873 1020 K HN 0.956 nan 8.250 nan 0.000 0.483 1021 G N 3.100 111.891 108.800 -0.015 0.000 2.176 1021 G HA2 -0.227 3.736 3.960 0.005 0.000 0.232 1021 G HA3 -0.227 3.736 3.960 0.005 0.000 0.232 1021 G C -0.483 174.410 174.900 -0.012 0.000 0.986 1021 G CA 0.074 45.166 45.100 -0.012 0.000 0.643 1021 G HN 0.635 nan 8.290 nan 0.000 0.522 1022 E N -0.317 119.875 120.200 -0.013 0.000 2.244 1022 E HA 0.611 4.964 4.350 0.005 0.000 0.260 1022 E C 0.987 177.579 176.600 -0.013 0.000 0.884 1022 E CA -0.159 56.233 56.400 -0.014 0.000 0.777 1022 E CB 1.518 31.209 29.700 -0.015 0.000 1.197 1022 E HN 0.386 nan 8.360 nan 0.000 0.416 1023 A N 3.480 126.293 122.820 -0.012 0.000 1.933 1023 A HA -0.137 4.186 4.320 0.005 0.000 0.218 1023 A C 0.803 178.381 177.584 -0.010 0.000 1.175 1023 A CA 1.403 53.434 52.037 -0.011 0.000 0.628 1023 A CB 0.133 19.127 19.000 -0.010 0.000 0.814 1023 A HN 0.599 nan 8.150 nan 0.000 0.444 1024 E N -1.637 118.556 120.200 -0.011 0.000 2.321 1024 E HA 0.446 4.799 4.350 0.005 0.000 0.281 1024 E C -1.649 174.944 176.600 -0.013 0.000 0.910 1024 E CA -0.403 55.991 56.400 -0.010 0.000 0.770 1024 E CB 1.701 31.395 29.700 -0.010 0.000 1.225 1024 E HN 0.121 nan 8.360 nan 0.000 0.417 1025 T N 2.712 117.261 114.554 -0.009 0.000 2.841 1025 T HA 0.401 4.755 4.350 0.005 0.000 0.283 1025 T C -0.495 174.200 174.700 -0.008 0.000 1.000 1025 T CA -0.710 61.383 62.100 -0.012 0.000 0.977 1025 T CB 1.218 70.083 68.868 -0.006 0.000 0.979 1025 T HN 0.318 nan 8.240 nan 0.000 0.446 1026 R N 2.300 122.791 120.500 -0.016 0.000 2.389 1026 R HA 0.513 4.856 4.340 0.005 0.000 0.295 1026 R C -0.301 175.997 176.300 -0.002 0.000 1.075 1026 R CA -0.146 55.947 56.100 -0.011 0.000 1.005 1026 R CB -0.005 30.282 30.300 -0.023 0.000 0.987 1026 R HN 0.587 nan 8.270 nan 0.000 0.452 1027 V N 0.442 120.364 119.914 0.013 0.000 3.160 1027 V HA 0.927 5.050 4.120 0.005 0.000 0.310 1027 V C -0.730 175.388 176.094 0.040 0.000 1.181 1027 V CA -1.176 61.139 62.300 0.026 0.000 1.047 1027 V CB 1.967 33.810 31.823 0.034 0.000 1.068 1027 V HN 0.802 nan 8.190 nan 0.000 0.441 1028 A N 1.226 124.075 122.820 0.047 0.000 2.305 1028 A HA 0.855 5.178 4.320 0.005 0.000 0.322 1028 A C -0.574 177.063 177.584 0.089 0.000 1.187 1028 A CA -0.633 51.444 52.037 0.066 0.000 0.825 1028 A CB 1.278 20.308 19.000 0.050 0.000 1.164 1028 A HN 1.473 nan 8.150 nan 0.000 0.498 1029 V N 3.610 123.605 119.914 0.135 0.000 2.409 1029 V HA 0.278 4.401 4.120 0.005 0.000 0.290 1029 V C -0.199 176.033 176.094 0.229 0.000 1.017 1029 V CA -0.708 61.693 62.300 0.167 0.000 0.841 1029 V CB 1.344 33.264 31.823 0.162 0.000 1.003 1029 V HN 0.914 nan 8.190 nan 0.000 0.426 1030 K N 3.027 123.560 120.400 0.221 0.000 2.172 1030 K HA 0.694 5.017 4.320 0.005 0.000 0.276 1030 K C 0.195 177.054 176.600 0.432 0.000 1.013 1030 K CA -0.377 56.093 56.287 0.305 0.000 0.913 1030 K CB 1.755 34.438 32.500 0.305 0.000 1.055 1030 K HN 0.845 nan 8.250 nan 0.000 0.461 1031 T N -2.361 112.389 114.554 0.326 0.000 2.887 1031 T HA 0.512 4.866 4.350 0.005 0.000 0.292 1031 T C -0.348 174.172 174.700 -0.299 0.000 1.087 1031 T CA -0.925 61.228 62.100 0.089 0.000 1.009 1031 T CB 1.229 70.192 68.868 0.159 0.000 1.203 1031 T HN 0.178 nan 8.240 nan 0.000 0.518 1032 V N 1.975 121.527 119.914 -0.602 0.000 2.427 1032 V HA 0.421 4.544 4.120 0.005 0.000 0.286 1032 V C 0.654 176.623 176.094 -0.208 0.000 1.034 1032 V CA -1.331 60.639 62.300 -0.549 0.000 0.893 1032 V CB 0.939 32.361 31.823 -0.669 0.000 0.982 1032 V HN 0.917 nan 8.190 nan 0.000 0.452 1033 N N 3.201 121.838 118.700 -0.105 0.000 2.293 1033 N HA -0.022 4.721 4.740 0.005 0.000 0.253 1033 N C 1.471 176.948 175.510 -0.056 0.000 1.248 1033 N CA 0.881 53.903 53.050 -0.048 0.000 0.845 1033 N CB 1.176 39.654 38.487 -0.015 0.000 1.073 1033 N HN 0.970 nan 8.380 nan 0.000 0.464 1034 E N 1.236 121.415 120.200 -0.035 0.000 2.209 1034 E HA -0.167 4.186 4.350 0.005 0.000 0.196 1034 E C 1.589 178.173 176.600 -0.026 0.000 0.993 1034 E CA 1.703 58.084 56.400 -0.032 0.000 0.819 1034 E CB -0.414 29.275 29.700 -0.018 0.000 0.745 1034 E HN 0.678 nan 8.360 nan 0.000 0.477 1035 S N -0.849 114.841 115.700 -0.017 0.000 2.597 1035 S HA 0.629 5.103 4.470 0.005 0.000 0.224 1035 S C 1.117 175.712 174.600 -0.007 0.000 0.955 1035 S CA 0.288 58.482 58.200 -0.010 0.000 0.933 1035 S CB -0.114 63.084 63.200 -0.003 0.000 0.788 1035 S HN 0.850 nan 8.310 nan 0.000 0.488 1036 A N 2.534 125.345 122.820 -0.015 0.000 2.498 1036 A HA 0.517 4.840 4.320 0.005 0.000 0.239 1036 A C 0.858 178.436 177.584 -0.010 0.000 1.068 1036 A CA 0.017 52.051 52.037 -0.004 0.000 0.766 1036 A CB -0.113 18.873 19.000 -0.023 0.000 1.003 1036 A HN 0.877 nan 8.150 nan 0.000 0.497 1037 S N 1.990 117.692 115.700 0.004 0.000 2.584 1037 S HA 0.151 4.624 4.470 0.005 0.000 0.270 1037 S C 1.129 175.714 174.600 -0.025 0.000 1.346 1037 S CA 0.064 58.261 58.200 -0.005 0.000 1.018 1037 S CB 0.362 63.567 63.200 0.008 0.000 0.899 1037 S HN 1.234 nan 8.310 nan 0.000 0.542 1038 L N 1.468 122.676 121.223 -0.025 0.000 2.013 1038 L HA -0.118 4.225 4.340 0.005 0.000 0.212 1038 L C 2.766 179.605 176.870 -0.052 0.000 1.073 1038 L CA 2.239 57.058 54.840 -0.035 0.000 0.753 1038 L CB -1.088 40.956 42.059 -0.025 0.000 0.890 1038 L HN 0.956 nan 8.230 nan 0.000 0.432 1039 R N -0.488 119.986 120.500 -0.043 0.000 2.083 1039 R HA -0.205 4.138 4.340 0.005 0.000 0.237 1039 R C 2.178 178.404 176.300 -0.123 0.000 1.137 1039 R CA 2.079 58.144 56.100 -0.057 0.000 0.951 1039 R CB -0.250 30.038 30.300 -0.021 0.000 0.851 1039 R HN 0.574 nan 8.270 nan 0.000 0.434 1040 E N -0.389 119.746 120.200 -0.108 0.000 2.106 1040 E HA -0.177 4.176 4.350 0.005 0.000 0.192 1040 E C 2.232 178.612 176.600 -0.366 0.000 0.984 1040 E CA 1.091 57.355 56.400 -0.226 0.000 0.806 1040 E CB -0.001 29.732 29.700 0.055 0.000 0.750 1040 E HN 0.353 nan 8.360 nan 0.000 0.458 1041 R N 0.487 120.881 120.500 -0.178 0.000 2.073 1041 R HA -0.105 4.238 4.340 0.005 0.000 0.234 1041 R C 2.425 178.662 176.300 -0.106 0.000 1.134 1041 R CA 1.158 57.182 56.100 -0.126 0.000 0.952 1041 R CB -0.351 29.900 30.300 -0.081 0.000 0.850 1041 R HN 0.179 nan 8.270 nan 0.000 0.433 1042 I N 0.963 121.455 120.570 -0.128 0.000 2.127 1042 I HA -0.286 3.887 4.170 0.005 0.000 0.241 1042 I C 2.158 178.166 176.117 -0.182 0.000 1.075 1042 I CA 1.560 62.791 61.300 -0.116 0.000 1.334 1042 I CB -0.286 37.659 38.000 -0.091 0.000 1.040 1042 I HN 0.230 nan 8.210 nan 0.000 0.405 1043 E N 0.264 120.269 120.200 -0.325 0.000 2.077 1043 E HA -0.259 4.094 4.350 0.005 0.000 0.193 1043 E C 2.068 178.373 176.600 -0.491 0.000 0.989 1043 E CA 1.418 57.560 56.400 -0.429 0.000 0.800 1043 E CB -0.233 29.143 29.700 -0.540 0.000 0.746 1043 E HN 0.427 nan 8.360 nan 0.000 0.452 1044 F N 1.515 120.947 119.950 -0.862 0.000 2.069 1044 F HA -0.239 4.292 4.527 0.008 0.000 0.298 1044 F C 1.914 177.626 175.800 -0.146 0.000 1.113 1044 F CA 1.493 59.277 58.000 -0.361 0.000 1.214 1044 F CB -0.162 38.706 39.000 -0.220 0.000 0.978 1044 F HN -0.088 nan 8.300 nan 0.000 0.474 1045 L N 0.153 121.340 121.223 -0.060 0.000 2.056 1045 L HA -0.244 4.099 4.340 0.005 0.000 0.207 1045 L C 2.254 179.001 176.870 -0.206 0.000 1.078 1045 L CA 1.270 56.032 54.840 -0.130 0.000 0.749 1045 L CB -0.926 41.130 42.059 -0.005 0.000 0.901 1045 L HN 0.168 nan 8.230 nan 0.000 0.433 1046 N N -0.050 118.549 118.700 -0.168 0.000 2.166 1046 N HA -0.224 4.519 4.740 0.005 0.000 0.186 1046 N C 1.740 177.134 175.510 -0.194 0.000 1.019 1046 N CA 1.209 54.166 53.050 -0.155 0.000 0.856 1046 N CB -0.149 38.274 38.487 -0.107 0.000 0.993 1046 N HN 0.403 nan 8.380 nan 0.000 0.426 1047 E N 0.635 120.722 120.200 -0.188 0.000 2.031 1047 E HA -0.144 4.209 4.350 0.005 0.000 0.193 1047 E C 1.840 178.250 176.600 -0.316 0.000 0.994 1047 E CA 1.228 57.522 56.400 -0.177 0.000 0.800 1047 E CB -0.081 29.603 29.700 -0.028 0.000 0.752 1047 E HN 0.308 nan 8.360 nan 0.000 0.447 1048 A N 0.521 123.101 122.820 -0.400 0.000 1.892 1048 A HA -0.252 4.072 4.320 0.005 0.000 0.218 1048 A C 2.378 179.675 177.584 -0.478 0.000 1.188 1048 A CA 2.127 53.896 52.037 -0.448 0.000 0.631 1048 A CB -1.049 17.669 19.000 -0.469 0.000 0.822 1048 A HN 0.356 nan 8.150 nan 0.000 0.447 1049 S N -0.865 114.597 115.700 -0.396 0.000 2.359 1049 S HA -0.143 4.330 4.470 0.005 0.000 0.224 1049 S C 1.921 176.242 174.600 -0.465 0.000 1.035 1049 S CA 1.605 59.578 58.200 -0.379 0.000 1.018 1049 S CB -0.538 62.517 63.200 -0.243 0.000 0.876 1049 S HN 0.328 nan 8.310 nan 0.000 0.448 1050 V N 2.162 121.785 119.914 -0.485 0.000 2.332 1050 V HA -0.236 3.887 4.120 0.005 0.000 0.248 1050 V C 2.383 177.746 176.094 -1.220 0.000 1.055 1050 V CA 2.217 64.077 62.300 -0.733 0.000 1.038 1050 V CB -0.610 30.812 31.823 -0.668 0.000 0.651 1050 V HN 0.554 nan 8.190 nan 0.000 0.450 1051 M N -0.923 118.073 119.600 -1.007 0.000 2.279 1051 M HA -0.180 4.303 4.480 0.005 0.000 0.264 1051 M C 2.151 177.912 176.300 -0.899 0.000 1.062 1051 M CA 1.541 56.226 55.300 -1.024 0.000 1.099 1051 M CB -0.473 31.753 32.600 -0.622 0.000 1.394 1051 M HN 0.280 nan 8.290 nan 0.000 0.426 1052 K N 0.094 119.956 120.400 -0.897 0.000 2.152 1052 K HA -0.109 4.214 4.320 0.005 0.000 0.206 1052 K C 1.893 178.296 176.600 -0.330 0.000 1.048 1052 K CA 1.270 57.017 56.287 -0.900 0.000 0.933 1052 K CB -0.420 31.531 32.500 -0.915 0.000 0.721 1052 K HN 0.454 nan 8.250 nan 0.000 0.447 1053 G N 0.420 108.947 108.800 -0.455 0.000 2.920 1053 G HA2 -0.027 3.936 3.960 0.005 0.000 0.208 1053 G HA3 -0.027 3.936 3.960 0.005 0.000 0.208 1053 G C -0.069 174.905 174.900 0.123 0.000 1.159 1053 G CA -0.126 44.879 45.100 -0.159 0.000 0.784 1053 G HN -0.009 nan 8.290 nan 0.000 0.535 1054 F N 0.826 120.777 119.950 0.001 0.000 2.420 1054 F HA 0.529 5.055 4.527 -0.002 0.000 0.342 1054 F C 0.091 175.922 175.800 0.051 0.000 1.113 1054 F CA -1.581 56.476 58.000 0.094 0.000 1.059 1054 F CB 1.756 40.723 39.000 -0.055 0.000 1.128 1054 F HN -0.311 nan 8.300 nan 0.000 0.475 1055 T N 2.498 117.194 114.554 0.236 0.000 3.009 1055 T HA 0.419 4.772 4.350 0.005 0.000 0.346 1055 T C -1.217 173.268 174.700 -0.357 0.000 1.092 1055 T CA -0.445 61.661 62.100 0.011 0.000 1.080 1055 T CB 0.732 69.661 68.868 0.102 0.000 1.037 1055 T HN 0.745 nan 8.240 nan 0.000 0.487 1056 C N 2.975 122.015 119.300 -0.432 0.000 2.811 1056 C HA 0.457 4.920 4.460 0.005 0.000 0.352 1056 C C 1.518 176.346 174.990 -0.269 0.000 1.098 1056 C CA -0.513 58.176 59.018 -0.548 0.000 1.295 1056 C CB 0.654 27.741 27.740 -1.088 0.000 1.758 1056 C HN 1.112 nan 8.230 nan 0.000 0.488 1057 H N 1.599 120.466 119.070 -0.338 0.000 2.422 1057 H HA -0.071 4.478 4.556 -0.012 0.000 0.298 1057 H C 1.157 176.251 175.328 -0.389 0.000 1.098 1057 H CA 2.462 58.277 56.048 -0.389 0.000 1.315 1057 H CB 0.041 29.470 29.762 -0.555 0.000 1.382 1057 H HN 0.865 nan 8.280 nan 0.000 0.523 1058 H N -1.439 117.592 119.070 -0.065 0.000 2.505 1058 H HA 0.345 4.914 4.556 0.021 0.000 0.289 1058 H C -0.642 174.651 175.328 -0.058 0.000 1.052 1058 H CA -0.219 55.796 56.048 -0.055 0.000 1.156 1058 H CB 0.686 30.474 29.762 0.043 0.000 1.507 1058 H HN 0.004 nan 8.280 nan 0.000 0.548 1059 V N 1.441 121.339 119.914 -0.026 0.000 2.588 1059 V HA 0.113 4.236 4.120 0.005 0.000 0.304 1059 V C 0.054 176.173 176.094 0.042 0.000 1.042 1059 V CA -1.119 61.211 62.300 0.051 0.000 0.877 1059 V CB 2.419 34.232 31.823 -0.017 0.000 0.996 1059 V HN -0.010 nan 8.190 nan 0.000 0.425 1060 V N 5.003 124.996 119.914 0.131 0.000 2.617 1060 V HA 0.066 4.189 4.120 0.005 0.000 0.304 1060 V C 0.754 176.898 176.094 0.084 0.000 1.040 1060 V CA 0.299 62.657 62.300 0.097 0.000 1.149 1060 V CB 0.290 32.193 31.823 0.133 0.000 0.914 1060 V HN 0.833 nan 8.190 nan 0.000 0.487 1061 R N 3.924 124.448 120.500 0.040 0.000 2.308 1061 R HA 0.423 4.766 4.340 0.005 0.000 0.305 1061 R C -0.557 175.766 176.300 0.039 0.000 1.053 1061 R CA -0.883 55.242 56.100 0.041 0.000 0.957 1061 R CB 0.899 31.224 30.300 0.041 0.000 1.022 1061 R HN 0.613 nan 8.270 nan 0.000 0.461 1062 L N 5.652 126.876 121.223 0.002 0.000 2.367 1062 L HA 0.133 4.476 4.340 0.005 0.000 0.275 1062 L C 0.076 177.059 176.870 0.189 0.000 1.129 1062 L CA 0.561 55.381 54.840 -0.033 0.000 0.839 1062 L CB 0.908 42.767 42.059 -0.332 0.000 1.133 1062 L HN 0.821 nan 8.230 nan 0.000 0.453 1063 L N 4.447 125.776 121.223 0.178 0.000 2.425 1063 L HA 0.524 4.867 4.340 0.005 0.000 0.215 1063 L C 0.959 178.009 176.870 0.301 0.000 1.065 1063 L CA 0.388 55.364 54.840 0.225 0.000 0.842 1063 L CB -0.125 42.001 42.059 0.112 0.000 1.033 1063 L HN 0.827 nan 8.230 nan 0.000 0.474 1064 G N -0.738 108.225 108.800 0.271 0.000 2.368 1064 G HA2 0.456 4.419 3.960 0.005 0.000 0.293 1064 G HA3 0.456 4.419 3.960 0.005 0.000 0.293 1064 G C -2.071 172.921 174.900 0.152 0.000 1.467 1064 G CA -0.456 44.813 45.100 0.282 0.000 0.804 1064 G HN -0.301 nan 8.290 nan 0.000 0.535 1065 V N -0.119 119.884 119.914 0.148 0.000 2.709 1065 V HA 0.581 4.705 4.120 0.005 0.000 0.308 1065 V C -0.246 175.897 176.094 0.080 0.000 1.062 1065 V CA -0.761 61.586 62.300 0.078 0.000 0.901 1065 V CB 1.923 33.766 31.823 0.034 0.000 1.003 1065 V HN 0.733 nan 8.190 nan 0.000 0.425 1066 V N 4.045 124.000 119.914 0.069 0.000 2.304 1066 V HA 0.308 4.432 4.120 0.005 0.000 0.269 1066 V C 0.879 177.008 176.094 0.059 0.000 1.036 1066 V CA 0.371 62.706 62.300 0.058 0.000 0.840 1066 V CB 1.057 32.909 31.823 0.048 0.000 1.036 1066 V HN 1.068 nan 8.190 nan 0.000 0.466 1067 S N 1.999 117.730 115.700 0.051 0.000 2.629 1067 S HA 0.293 4.766 4.470 0.005 0.000 0.236 1067 S C 0.673 175.294 174.600 0.034 0.000 1.010 1067 S CA 0.090 58.318 58.200 0.047 0.000 0.981 1067 S CB 0.118 63.343 63.200 0.042 0.000 0.919 1067 S HN 0.738 nan 8.310 nan 0.000 0.514 1068 K N 1.314 121.731 120.400 0.029 0.000 2.211 1068 K HA 0.726 5.049 4.320 0.005 0.000 0.275 1068 K C 0.966 177.575 176.600 0.016 0.000 1.024 1068 K CA -0.173 56.126 56.287 0.020 0.000 0.887 1068 K CB -0.322 32.188 32.500 0.017 0.000 1.084 1068 K HN 1.414 nan 8.250 nan 0.000 0.463 1069 G N 0.911 109.718 108.800 0.011 0.000 2.598 1069 G HA2 -0.115 3.849 3.960 0.005 0.000 0.244 1069 G HA3 -0.115 3.849 3.960 0.005 0.000 0.244 1069 G C -0.770 174.134 174.900 0.008 0.000 1.302 1069 G CA -0.085 45.019 45.100 0.007 0.000 0.903 1069 G HN 0.934 nan 8.290 nan 0.000 0.575 1070 Q N 0.434 120.235 119.800 0.002 0.000 2.394 1070 Q HA 0.668 5.011 4.340 0.005 0.000 0.273 1070 Q C -2.032 173.964 176.000 -0.006 0.000 1.089 1070 Q CA -1.325 54.477 55.803 -0.002 0.000 0.812 1070 Q CB 1.999 30.733 28.738 -0.007 0.000 1.353 1070 Q HN 0.686 nan 8.270 nan 0.000 0.438 1071 P HA 0.331 nan 4.420 nan 0.000 0.283 1071 P C -0.653 176.661 177.300 0.024 0.000 1.278 1071 P CA -0.474 62.624 63.100 -0.003 0.000 0.834 1071 P CB 0.630 32.320 31.700 -0.017 0.000 1.150 1072 T N 1.182 115.762 114.554 0.043 0.000 2.888 1072 T HA 0.268 4.622 4.350 0.005 0.000 0.301 1072 T C 0.195 174.993 174.700 0.163 0.000 1.001 1072 T CA 0.221 62.389 62.100 0.114 0.000 1.147 1072 T CB -0.400 68.580 68.868 0.187 0.000 0.931 1072 T HN 0.168 nan 8.240 nan 0.000 0.541 1073 L N 3.432 124.747 121.223 0.153 0.000 2.341 1073 L HA 0.594 4.937 4.340 0.005 0.000 0.278 1073 L C -0.478 176.486 176.870 0.156 0.000 1.005 1073 L CA -1.156 53.784 54.840 0.167 0.000 0.818 1073 L CB 1.881 43.997 42.059 0.095 0.000 1.259 1073 L HN 0.308 nan 8.230 nan 0.000 0.418 1074 V N 4.137 124.159 119.914 0.180 0.000 2.334 1074 V HA 0.308 4.431 4.120 0.005 0.000 0.281 1074 V C 0.012 176.142 176.094 0.060 0.000 1.016 1074 V CA -0.573 61.758 62.300 0.052 0.000 0.832 1074 V CB 1.836 33.603 31.823 -0.093 0.000 0.999 1074 V HN 0.439 nan 8.190 nan 0.000 0.439 1075 V N 7.327 127.269 119.914 0.047 0.000 2.383 1075 V HA 0.557 4.680 4.120 0.005 0.000 0.275 1075 V C 0.203 176.325 176.094 0.047 0.000 1.036 1075 V CA -0.254 62.082 62.300 0.060 0.000 0.889 1075 V CB 1.151 33.014 31.823 0.068 0.000 0.985 1075 V HN 0.901 nan 8.190 nan 0.000 0.459 1076 M N 1.790 121.418 119.600 0.047 0.000 2.691 1076 M HA 0.647 5.130 4.480 0.005 0.000 0.293 1076 M C -0.231 176.093 176.300 0.041 0.000 1.259 1076 M CA -0.851 54.473 55.300 0.041 0.000 0.827 1076 M CB 1.921 34.540 32.600 0.032 0.000 1.753 1076 M HN 0.540 nan 8.290 nan 0.000 0.465 1077 E N 1.698 121.921 120.200 0.037 0.000 2.585 1077 E HA 0.074 4.427 4.350 0.005 0.000 0.252 1077 E C -1.396 175.216 176.600 0.021 0.000 0.981 1077 E CA -0.275 56.140 56.400 0.026 0.000 0.943 1077 E CB 0.611 30.323 29.700 0.019 0.000 0.923 1077 E HN 0.557 nan 8.360 nan 0.000 0.486 1078 L N 5.652 126.883 121.223 0.013 0.000 2.367 1078 L HA 0.169 4.512 4.340 0.005 0.000 0.275 1078 L C -0.546 176.320 176.870 -0.006 0.000 1.129 1078 L CA 0.198 55.040 54.840 0.004 0.000 0.839 1078 L CB 0.987 43.043 42.059 -0.005 0.000 1.133 1078 L HN 0.607 nan 8.230 nan 0.000 0.453 1079 M N 5.541 125.134 119.600 -0.011 0.000 2.047 1079 M HA 0.296 4.779 4.480 0.005 0.000 0.342 1079 M C 1.015 177.284 176.300 -0.053 0.000 1.058 1079 M CA -0.273 55.014 55.300 -0.022 0.000 0.991 1079 M CB 0.720 33.312 32.600 -0.012 0.000 1.474 1079 M HN 0.825 nan 8.290 nan 0.000 0.419 1080 A N 2.674 125.437 122.820 -0.096 0.000 1.972 1080 A HA -0.129 4.194 4.320 0.005 0.000 0.219 1080 A C 1.370 178.729 177.584 -0.376 0.000 1.169 1080 A CA 1.476 53.376 52.037 -0.229 0.000 0.635 1080 A CB -0.430 18.407 19.000 -0.272 0.000 0.810 1080 A HN 0.813 nan 8.150 nan 0.000 0.446 1081 H N -1.093 117.930 119.070 -0.079 0.000 2.542 1081 H HA 0.337 4.896 4.556 0.004 0.000 0.283 1081 H C 1.485 176.826 175.328 0.022 0.000 1.059 1081 H CA 0.419 56.451 56.048 -0.027 0.000 1.162 1081 H CB -0.208 29.497 29.762 -0.095 0.000 1.539 1081 H HN 0.626 nan 8.280 nan 0.000 0.543 1082 G N 2.156 110.994 108.800 0.062 0.000 2.562 1082 G HA2 -0.265 3.698 3.960 0.005 0.000 0.250 1082 G HA3 -0.265 3.698 3.960 0.005 0.000 0.250 1082 G C -0.099 174.838 174.900 0.062 0.000 1.269 1082 G CA 0.006 45.140 45.100 0.058 0.000 0.919 1082 G HN 0.496 nan 8.290 nan 0.000 0.574 1083 D N 0.190 120.631 120.400 0.067 0.000 2.329 1083 D HA 0.342 4.985 4.640 0.005 0.000 0.246 1083 D C 1.634 178.000 176.300 0.110 0.000 1.111 1083 D CA -0.279 53.755 54.000 0.057 0.000 0.941 1083 D CB 1.752 42.569 40.800 0.028 0.000 1.169 1083 D HN 0.529 nan 8.370 nan 0.000 0.441 1084 L N 1.663 122.943 121.223 0.095 0.000 2.131 1084 L HA -0.139 4.204 4.340 0.005 0.000 0.210 1084 L C 2.463 179.444 176.870 0.184 0.000 1.092 1084 L CA 1.779 56.711 54.840 0.154 0.000 0.759 1084 L CB -0.820 41.304 42.059 0.108 0.000 0.903 1084 L HN 0.610 nan 8.230 nan 0.000 0.435 1085 K N -1.150 119.327 120.400 0.128 0.000 2.026 1085 K HA -0.146 4.178 4.320 0.005 0.000 0.208 1085 K C 2.074 178.743 176.600 0.115 0.000 1.048 1085 K CA 1.682 58.044 56.287 0.124 0.000 0.929 1085 K CB -0.143 32.419 32.500 0.103 0.000 0.713 1085 K HN 0.347 nan 8.250 nan 0.000 0.439 1086 S N 0.007 115.776 115.700 0.115 0.000 2.359 1086 S HA -0.190 4.284 4.470 0.005 0.000 0.224 1086 S C 1.635 176.315 174.600 0.134 0.000 1.035 1086 S CA 1.418 59.683 58.200 0.109 0.000 1.018 1086 S CB -0.565 62.700 63.200 0.108 0.000 0.876 1086 S HN 0.435 nan 8.310 nan 0.000 0.448 1087 Y N 2.374 122.714 120.300 0.066 0.000 2.097 1087 Y HA -0.156 4.400 4.550 0.010 0.000 0.282 1087 Y C 1.947 177.871 175.900 0.040 0.000 1.152 1087 Y CA 1.410 59.553 58.100 0.072 0.000 1.136 1087 Y CB -0.606 37.910 38.460 0.093 0.000 0.975 1087 Y HN 0.133 nan 8.280 nan 0.000 0.498 1088 L N -0.122 121.112 121.223 0.018 0.000 2.042 1088 L HA -0.267 4.076 4.340 0.005 0.000 0.210 1088 L C 2.649 179.454 176.870 -0.109 0.000 1.076 1088 L CA 1.702 56.493 54.840 -0.081 0.000 0.749 1088 L CB -0.590 41.488 42.059 0.031 0.000 0.893 1088 L HN 0.160 nan 8.230 nan 0.000 0.432 1089 R N -0.171 120.306 120.500 -0.039 0.000 2.120 1089 R HA -0.136 4.208 4.340 0.005 0.000 0.234 1089 R C 2.555 178.816 176.300 -0.065 0.000 1.123 1089 R CA 1.575 57.656 56.100 -0.033 0.000 0.975 1089 R CB -0.424 29.883 30.300 0.012 0.000 0.866 1089 R HN 0.492 nan 8.270 nan 0.000 0.446 1090 S N 0.580 116.223 115.700 -0.094 0.000 2.447 1090 S HA -0.029 4.444 4.470 0.005 0.000 0.233 1090 S C 1.778 176.285 174.600 -0.155 0.000 1.006 1090 S CA 0.692 58.831 58.200 -0.102 0.000 0.957 1090 S CB -0.113 63.039 63.200 -0.081 0.000 0.773 1090 S HN 0.257 nan 8.310 nan 0.000 0.507 1091 L N 0.590 121.677 121.223 -0.225 0.000 2.592 1091 L HA 0.264 4.607 4.340 0.005 0.000 0.227 1091 L C 1.018 177.804 176.870 -0.141 0.000 1.127 1091 L CA -0.220 54.488 54.840 -0.219 0.000 0.884 1091 L CB -0.155 41.718 42.059 -0.311 0.000 1.065 1091 L HN 0.121 nan 8.230 nan 0.000 0.457 1092 R N 1.322 121.756 120.500 -0.110 0.000 2.623 1092 R HA 0.017 4.360 4.340 0.005 0.000 0.271 1092 R C -1.203 175.056 176.300 -0.068 0.000 1.043 1092 R CA -1.189 54.861 56.100 -0.082 0.000 1.083 1092 R CB 0.207 30.470 30.300 -0.063 0.000 0.974 1092 R HN -0.114 nan 8.270 nan 0.000 0.436 1093 P HA -0.220 nan 4.420 nan 0.000 0.218 1093 P C 0.630 177.906 177.300 -0.039 0.000 1.148 1093 P CA 1.480 64.550 63.100 -0.050 0.000 0.822 1093 P CB 0.157 31.829 31.700 -0.046 0.000 0.784 1094 E N -0.103 120.076 120.200 -0.035 0.000 2.479 1094 E HA 0.116 4.469 4.350 0.005 0.000 0.193 1094 E C 0.512 177.099 176.600 -0.022 0.000 1.049 1094 E CA -0.189 56.195 56.400 -0.025 0.000 0.870 1094 E CB -0.551 29.136 29.700 -0.022 0.000 0.944 1094 E HN 0.008 nan 8.360 nan 0.000 0.492 1095 A N 1.934 124.736 122.820 -0.029 0.000 2.522 1095 A HA -0.002 4.322 4.320 0.005 0.000 0.256 1095 A C 0.897 178.472 177.584 -0.016 0.000 1.086 1095 A CA -0.033 51.989 52.037 -0.024 0.000 0.763 1095 A CB 0.014 18.992 19.000 -0.037 0.000 1.024 1095 A HN 0.243 nan 8.150 nan 0.000 0.502 1096 E N 1.875 122.071 120.200 -0.007 0.000 2.160 1096 E HA -0.219 4.134 4.350 0.005 0.000 0.195 1096 E C 0.888 177.490 176.600 0.003 0.000 0.991 1096 E CA 1.501 57.901 56.400 -0.001 0.000 0.810 1096 E CB -0.064 29.639 29.700 0.004 0.000 0.742 1096 E HN 0.910 nan 8.360 nan 0.000 0.466 1097 N N 0.873 119.575 118.700 0.003 0.000 2.276 1097 N HA -0.072 4.672 4.740 0.005 0.000 0.212 1097 N C -0.113 175.399 175.510 0.003 0.000 1.127 1097 N CA -0.021 53.036 53.050 0.012 0.000 0.834 1097 N CB -0.254 38.248 38.487 0.024 0.000 1.014 1097 N HN -0.050 nan 8.380 nan 0.000 0.491 1098 N N 2.825 121.517 118.700 -0.014 0.000 2.365 1098 N HA -0.024 4.720 4.740 0.005 0.000 0.265 1098 N C -1.336 174.167 175.510 -0.011 0.000 1.288 1098 N CA -0.561 52.471 53.050 -0.030 0.000 0.869 1098 N CB 1.008 39.472 38.487 -0.038 0.000 1.071 1098 N HN 0.182 nan 8.380 nan 0.000 0.480 1099 P HA 0.106 nan 4.420 nan 0.000 0.245 1099 P C 0.308 177.616 177.300 0.013 0.000 1.212 1099 P CA 0.375 63.490 63.100 0.024 0.000 0.774 1099 P CB 0.006 31.735 31.700 0.050 0.000 0.999 1100 G N 0.444 109.237 108.800 -0.011 0.000 2.204 1100 G HA2 -0.224 3.739 3.960 0.005 0.000 0.244 1100 G HA3 -0.224 3.739 3.960 0.005 0.000 0.244 1100 G C -0.160 174.725 174.900 -0.026 0.000 1.062 1100 G CA -0.486 44.606 45.100 -0.013 0.000 0.798 1100 G HN 0.404 nan 8.290 nan 0.000 0.496 1101 R N -0.022 120.448 120.500 -0.050 0.000 2.744 1101 R HA 0.596 4.940 4.340 0.005 0.000 0.279 1101 R C -2.429 173.817 176.300 -0.089 0.000 0.977 1101 R CA -1.764 54.292 56.100 -0.073 0.000 0.906 1101 R CB 2.555 32.794 30.300 -0.101 0.000 1.197 1101 R HN 0.180 nan 8.270 nan 0.000 0.463 1102 P HA 0.247 nan 4.420 nan 0.000 0.276 1102 P C -2.507 174.727 177.300 -0.111 0.000 1.261 1102 P CA -1.390 61.658 63.100 -0.086 0.000 0.800 1102 P CB -0.167 31.491 31.700 -0.070 0.000 1.066 1103 P HA 0.161 nan 4.420 nan 0.000 0.271 1103 P C -2.396 174.842 177.300 -0.103 0.000 1.238 1103 P CA -0.871 62.157 63.100 -0.119 0.000 0.794 1103 P CB -1.581 30.055 31.700 -0.106 0.000 0.959 1104 P HA 0.048 nan 4.420 nan 0.000 0.268 1104 P C 0.254 177.516 177.300 -0.064 0.000 1.205 1104 P CA 0.261 63.321 63.100 -0.066 0.000 0.771 1104 P CB -0.061 31.619 31.700 -0.033 0.000 0.858 1105 T N -0.033 114.486 114.554 -0.058 0.000 2.816 1105 T HA 0.145 4.498 4.350 0.005 0.000 0.282 1105 T C 1.282 175.954 174.700 -0.046 0.000 0.993 1105 T CA -0.741 61.328 62.100 -0.052 0.000 0.994 1105 T CB 0.310 69.150 68.868 -0.046 0.000 1.025 1105 T HN 0.239 nan 8.240 nan 0.000 0.529 1106 L N 0.101 121.297 121.223 -0.045 0.000 2.043 1106 L HA -0.159 4.184 4.340 0.005 0.000 0.212 1106 L C 2.971 179.818 176.870 -0.039 0.000 1.075 1106 L CA 1.739 56.552 54.840 -0.045 0.000 0.752 1106 L CB -0.495 41.538 42.059 -0.043 0.000 0.891 1106 L HN 0.785 nan 8.230 nan 0.000 0.432 1107 Q N 0.230 120.010 119.800 -0.033 0.000 2.084 1107 Q HA -0.243 4.100 4.340 0.005 0.000 0.202 1107 Q C 1.941 177.929 176.000 -0.020 0.000 0.978 1107 Q CA 1.838 57.625 55.803 -0.026 0.000 0.844 1107 Q CB -0.023 28.705 28.738 -0.017 0.000 0.898 1107 Q HN 0.631 nan 8.270 nan 0.000 0.426 1108 E N -0.423 119.764 120.200 -0.021 0.000 2.072 1108 E HA -0.142 4.212 4.350 0.005 0.000 0.191 1108 E C 2.167 178.762 176.600 -0.009 0.000 0.985 1108 E CA 1.031 57.423 56.400 -0.014 0.000 0.801 1108 E CB -0.104 29.579 29.700 -0.029 0.000 0.750 1108 E HN 0.358 nan 8.360 nan 0.000 0.452 1109 M N 0.393 119.980 119.600 -0.021 0.000 2.117 1109 M HA -0.176 4.307 4.480 0.005 0.000 0.262 1109 M C 2.202 178.487 176.300 -0.025 0.000 1.065 1109 M CA 1.097 56.382 55.300 -0.025 0.000 1.114 1109 M CB -0.213 32.360 32.600 -0.045 0.000 1.361 1109 M HN 0.130 nan 8.290 nan 0.000 0.408 1110 I N 0.249 120.799 120.570 -0.034 0.000 2.226 1110 I HA -0.267 3.906 4.170 0.005 0.000 0.245 1110 I C 2.482 178.569 176.117 -0.049 0.000 1.100 1110 I CA 1.661 62.935 61.300 -0.044 0.000 1.374 1110 I CB -1.346 36.620 38.000 -0.057 0.000 1.057 1110 I HN 0.364 nan 8.210 nan 0.000 0.413 1111 Q N 0.802 120.580 119.800 -0.036 0.000 2.084 1111 Q HA -0.171 4.172 4.340 0.005 0.000 0.202 1111 Q C 2.316 178.321 176.000 0.008 0.000 0.978 1111 Q CA 1.754 57.542 55.803 -0.025 0.000 0.844 1111 Q CB -0.178 28.573 28.738 0.021 0.000 0.898 1111 Q HN 0.397 nan 8.270 nan 0.000 0.426 1112 M N -0.611 119.003 119.600 0.025 0.000 2.065 1112 M HA -0.217 4.266 4.480 0.005 0.000 0.259 1112 M C 2.206 178.551 176.300 0.076 0.000 1.069 1112 M CA 1.685 57.013 55.300 0.046 0.000 1.110 1112 M CB -0.530 32.095 32.600 0.041 0.000 1.328 1112 M HN 0.388 nan 8.290 nan 0.000 0.405 1113 A N 0.377 123.244 122.820 0.078 0.000 1.883 1113 A HA -0.151 4.172 4.320 0.005 0.000 0.217 1113 A C 2.351 180.075 177.584 0.233 0.000 1.186 1113 A CA 2.268 54.425 52.037 0.201 0.000 0.624 1113 A CB -1.102 17.981 19.000 0.137 0.000 0.822 1113 A HN 0.539 nan 8.150 nan 0.000 0.444 1114 A N -0.492 122.356 122.820 0.047 0.000 1.902 1114 A HA -0.163 4.160 4.320 0.005 0.000 0.217 1114 A C 1.929 179.539 177.584 0.043 0.000 1.181 1114 A CA 1.713 53.720 52.037 -0.050 0.000 0.623 1114 A CB -0.549 18.243 19.000 -0.346 0.000 0.818 1114 A HN 0.652 nan 8.150 nan 0.000 0.443 1115 E N -0.235 119.967 120.200 0.003 0.000 2.051 1115 E HA -0.162 4.191 4.350 0.005 0.000 0.192 1115 E C 1.900 178.436 176.600 -0.106 0.000 0.991 1115 E CA 1.353 57.609 56.400 -0.240 0.000 0.799 1115 E CB -0.331 29.284 29.700 -0.141 0.000 0.748 1115 E HN 0.692 nan 8.360 nan 0.000 0.449 1116 I N 1.221 121.830 120.570 0.066 0.000 2.127 1116 I HA -0.315 3.859 4.170 0.005 0.000 0.241 1116 I C 2.566 178.723 176.117 0.068 0.000 1.075 1116 I CA 1.194 62.575 61.300 0.135 0.000 1.334 1116 I CB -0.373 37.812 38.000 0.309 0.000 1.040 1116 I HN 0.102 nan 8.210 nan 0.000 0.405 1117 A N 0.160 123.033 122.820 0.087 0.000 1.933 1117 A HA -0.298 4.025 4.320 0.005 0.000 0.218 1117 A C 1.975 179.577 177.584 0.030 0.000 1.175 1117 A CA 2.319 54.325 52.037 -0.052 0.000 0.628 1117 A CB -0.746 18.192 19.000 -0.103 0.000 0.814 1117 A HN 0.479 nan 8.150 nan 0.000 0.444 1118 D N -0.751 119.719 120.400 0.117 0.000 2.097 1118 D HA -0.042 4.601 4.640 0.005 0.000 0.195 1118 D C 1.995 178.430 176.300 0.225 0.000 0.989 1118 D CA 1.674 55.835 54.000 0.268 0.000 0.827 1118 D CB -0.401 40.602 40.800 0.337 0.000 0.966 1118 D HN 0.299 nan 8.370 nan 0.000 0.456 1119 G N -0.175 108.697 108.800 0.121 0.000 2.408 1119 G HA2 -0.200 3.763 3.960 0.005 0.000 0.217 1119 G HA3 -0.200 3.763 3.960 0.005 0.000 0.217 1119 G C 1.513 176.368 174.900 -0.076 0.000 1.150 1119 G CA 0.594 45.733 45.100 0.065 0.000 0.776 1119 G HN 0.172 nan 8.290 nan 0.000 0.542 1120 M N 1.122 120.559 119.600 -0.273 0.000 2.200 1120 M HA 0.129 4.612 4.480 0.005 0.000 0.265 1120 M C 3.001 179.024 176.300 -0.462 0.000 1.066 1120 M CA 1.121 56.050 55.300 -0.617 0.000 1.127 1120 M CB -1.167 30.497 32.600 -1.558 0.000 1.379 1120 M HN 0.306 nan 8.290 nan 0.000 0.420 1121 A N -0.804 121.904 122.820 -0.185 0.000 1.933 1121 A HA -0.226 4.097 4.320 0.005 0.000 0.218 1121 A C 2.148 179.657 177.584 -0.125 0.000 1.175 1121 A CA 1.436 53.539 52.037 0.110 0.000 0.628 1121 A CB -1.113 18.137 19.000 0.416 0.000 0.814 1121 A HN 0.520 nan 8.150 nan 0.000 0.444 1122 Y N -0.147 119.853 120.300 -0.500 0.000 2.145 1122 Y HA -0.144 4.416 4.550 0.018 0.000 0.286 1122 Y C 2.009 177.559 175.900 -0.584 0.000 1.145 1122 Y CA 1.831 59.314 58.100 -1.028 0.000 1.148 1122 Y CB -0.347 37.659 38.460 -0.757 0.000 0.981 1122 Y HN 0.238 nan 8.280 nan 0.000 0.507 1123 L N 1.336 122.350 121.223 -0.349 0.000 2.042 1123 L HA -0.258 4.086 4.340 0.005 0.000 0.210 1123 L C 2.243 179.020 176.870 -0.156 0.000 1.076 1123 L CA 2.370 57.020 54.840 -0.316 0.000 0.749 1123 L CB -1.256 40.727 42.059 -0.126 0.000 0.893 1123 L HN 0.488 nan 8.230 nan 0.000 0.432 1124 N N -0.555 118.076 118.700 -0.115 0.000 2.142 1124 N HA -0.191 4.552 4.740 0.005 0.000 0.186 1124 N C 1.801 177.281 175.510 -0.050 0.000 1.023 1124 N CA 1.254 54.303 53.050 -0.003 0.000 0.852 1124 N CB -0.009 38.538 38.487 0.099 0.000 0.998 1124 N HN 0.473 nan 8.380 nan 0.000 0.424 1125 A N 1.357 124.094 122.820 -0.138 0.000 2.024 1125 A HA -0.088 4.236 4.320 0.005 0.000 0.220 1125 A C 1.985 179.462 177.584 -0.179 0.000 1.164 1125 A CA 1.069 53.034 52.037 -0.120 0.000 0.643 1125 A CB -0.223 18.721 19.000 -0.092 0.000 0.806 1125 A HN 0.216 nan 8.150 nan 0.000 0.451 1126 K N -0.422 119.805 120.400 -0.288 0.000 2.525 1126 K HA -0.009 4.314 4.320 0.005 0.000 0.192 1126 K C -0.320 176.254 176.600 -0.044 0.000 1.029 1126 K CA 0.225 56.437 56.287 -0.125 0.000 1.029 1126 K CB 0.148 32.596 32.500 -0.087 0.000 0.814 1126 K HN 0.349 nan 8.250 nan 0.000 0.503 1127 K N -0.142 120.202 120.400 -0.093 0.000 3.162 1127 K HA -0.170 4.154 4.320 0.005 0.000 0.268 1127 K C -0.702 175.669 176.600 -0.381 0.000 1.062 1127 K CA 0.828 57.003 56.287 -0.186 0.000 0.769 1127 K CB -2.504 29.862 32.500 -0.223 0.000 1.274 1127 K HN 0.071 nan 8.250 nan 0.000 0.478 1128 F N -1.168 118.796 119.950 0.024 0.000 2.563 1128 F HA 0.520 5.051 4.527 0.006 0.000 0.316 1128 F C 0.498 176.351 175.800 0.088 0.000 1.076 1128 F CA -1.133 56.910 58.000 0.071 0.000 0.921 1128 F CB 1.846 40.926 39.000 0.133 0.000 1.209 1128 F HN -0.143 nan 8.300 nan 0.000 0.462 1129 V N 3.566 123.656 119.914 0.294 0.000 2.483 1129 V HA 0.238 4.361 4.120 0.005 0.000 0.295 1129 V C 0.584 176.839 176.094 0.269 0.000 1.035 1129 V CA -0.116 62.342 62.300 0.263 0.000 0.896 1129 V CB 1.228 33.189 31.823 0.231 0.000 0.986 1129 V HN 0.927 nan 8.190 nan 0.000 0.447 1130 H N 5.713 124.898 119.070 0.191 0.000 2.343 1130 H HA 0.042 4.600 4.556 0.004 0.000 0.303 1130 H C 1.546 176.933 175.328 0.099 0.000 1.068 1130 H CA 1.990 58.125 56.048 0.145 0.000 1.359 1130 H CB 0.386 30.199 29.762 0.085 0.000 1.402 1130 H HN 0.837 nan 8.280 nan 0.000 0.515 1131 R N -0.877 119.794 120.500 0.285 0.000 3.862 1131 R HA -0.181 4.162 4.340 0.005 0.000 0.470 1131 R C -0.260 176.178 176.300 0.230 0.000 0.879 1131 R CA 1.348 57.565 56.100 0.194 0.000 1.508 1131 R CB -1.399 28.765 30.300 -0.225 0.000 2.170 1131 R HN 0.312 nan 8.270 nan 0.000 0.496 1132 D N 0.173 120.782 120.400 0.348 0.000 2.865 1132 D HA 0.150 4.793 4.640 0.005 0.000 0.347 1132 D C -0.968 175.501 176.300 0.282 0.000 1.498 1132 D CA -0.429 53.720 54.000 0.247 0.000 0.787 1132 D CB 0.348 41.176 40.800 0.046 0.000 1.190 1132 D HN 0.024 nan 8.370 nan 0.000 0.445 1133 L N 1.643 123.030 121.223 0.272 0.000 2.462 1133 L HA 0.592 4.935 4.340 0.005 0.000 0.272 1133 L C -0.418 176.494 176.870 0.070 0.000 1.166 1133 L CA 0.327 55.167 54.840 -0.000 0.000 0.880 1133 L CB 0.427 42.521 42.059 0.058 0.000 1.142 1133 L HN 0.192 nan 8.230 nan 0.000 0.473 1134 A N 3.825 126.613 122.820 -0.054 0.000 2.583 1134 A HA 0.650 4.973 4.320 0.005 0.000 0.292 1134 A C 0.477 178.043 177.584 -0.029 0.000 1.045 1134 A CA -0.170 51.791 52.037 -0.127 0.000 0.672 1134 A CB 0.152 18.632 19.000 -0.865 0.000 1.283 1134 A HN 1.103 nan 8.150 nan 0.000 0.419 1135 A N 0.961 123.850 122.820 0.114 0.000 1.948 1135 A HA -0.200 4.123 4.320 0.005 0.000 0.220 1135 A C 1.962 179.558 177.584 0.020 0.000 1.177 1135 A CA 2.260 54.357 52.037 0.100 0.000 0.636 1135 A CB -0.671 18.439 19.000 0.184 0.000 0.815 1135 A HN 1.213 nan 8.150 nan 0.000 0.449 1136 R N -0.961 119.508 120.500 -0.051 0.000 2.193 1136 R HA -0.036 4.307 4.340 0.005 0.000 0.229 1136 R C 0.471 176.718 176.300 -0.089 0.000 1.110 1136 R CA 1.557 57.614 56.100 -0.073 0.000 0.988 1136 R CB -0.426 29.796 30.300 -0.130 0.000 0.871 1136 R HN 0.397 nan 8.270 nan 0.000 0.458 1137 N N 0.005 118.637 118.700 -0.114 0.000 2.203 1137 N HA 0.109 4.852 4.740 0.005 0.000 0.207 1137 N C -0.625 174.809 175.510 -0.127 0.000 1.130 1137 N CA -0.047 52.930 53.050 -0.123 0.000 0.861 1137 N CB 0.583 38.998 38.487 -0.120 0.000 1.005 1137 N HN 0.143 nan 8.380 nan 0.000 0.507 1138 C N 1.282 120.536 119.300 -0.076 0.000 2.366 1138 C HA 0.607 5.070 4.460 0.005 0.000 0.345 1138 C C 0.242 175.223 174.990 -0.016 0.000 1.209 1138 C CA -0.760 58.229 59.018 -0.047 0.000 2.050 1138 C CB 1.033 28.767 27.740 -0.010 0.000 2.359 1138 C HN 0.182 nan 8.230 nan 0.000 0.527 1139 M N 1.926 121.520 119.600 -0.011 0.000 2.591 1139 M HA 0.528 5.011 4.480 0.005 0.000 0.306 1139 M C -1.033 175.255 176.300 -0.020 0.000 1.190 1139 M CA -0.513 54.784 55.300 -0.005 0.000 0.889 1139 M CB 1.743 34.341 32.600 -0.003 0.000 1.728 1139 M HN 0.323 nan 8.290 nan 0.000 0.458 1140 V N 1.498 121.391 119.914 -0.035 0.000 2.409 1140 V HA 0.691 4.815 4.120 0.005 0.000 0.291 1140 V C 0.410 176.455 176.094 -0.081 0.000 1.020 1140 V CA -0.863 61.380 62.300 -0.096 0.000 0.848 1140 V CB 1.103 32.783 31.823 -0.238 0.000 0.990 1140 V HN 1.023 nan 8.190 nan 0.000 0.430 1141 A N 2.901 125.651 122.820 -0.117 0.000 2.249 1141 A HA 0.435 4.759 4.320 0.005 0.000 0.281 1141 A C 1.229 178.690 177.584 -0.205 0.000 1.127 1141 A CA 0.540 52.500 52.037 -0.129 0.000 0.833 1141 A CB -0.031 18.874 19.000 -0.158 0.000 1.140 1141 A HN 1.209 nan 8.150 nan 0.000 0.502 1142 H N -1.224 117.737 119.070 -0.182 0.000 2.421 1142 H HA -0.080 4.475 4.556 -0.003 0.000 0.298 1142 H C 0.650 175.768 175.328 -0.350 0.000 1.087 1142 H CA 1.565 57.475 56.048 -0.231 0.000 1.330 1142 H CB -0.109 29.559 29.762 -0.156 0.000 1.388 1142 H HN 0.593 nan 8.280 nan 0.000 0.526 1143 D N -0.905 119.014 120.400 -0.802 0.000 2.342 1143 D HA -0.061 4.583 4.640 0.005 0.000 0.221 1143 D C -0.022 176.193 176.300 -0.142 0.000 1.101 1143 D CA -0.599 53.148 54.000 -0.422 0.000 0.837 1143 D CB -0.662 39.895 40.800 -0.405 0.000 0.938 1143 D HN 0.490 nan 8.370 nan 0.000 0.508 1144 F N -0.892 118.959 119.950 -0.165 0.000 2.699 1144 F HA -0.236 4.295 4.527 0.008 0.000 0.343 1144 F C 0.361 176.072 175.800 -0.148 0.000 0.633 1144 F CA 0.638 58.518 58.000 -0.200 0.000 1.365 1144 F CB -2.713 36.168 39.000 -0.198 0.000 1.795 1144 F HN -0.126 nan 8.300 nan 0.000 0.304 1145 T N 1.935 116.481 114.554 -0.013 0.000 2.908 1145 T HA 0.373 4.727 4.350 0.005 0.000 0.301 1145 T C 0.564 175.274 174.700 0.017 0.000 1.019 1145 T CA -0.095 62.030 62.100 0.040 0.000 1.152 1145 T CB 1.087 69.979 68.868 0.039 0.000 0.966 1145 T HN 0.070 nan 8.240 nan 0.000 0.540 1146 V N 5.144 125.094 119.914 0.060 0.000 2.481 1146 V HA 0.434 4.557 4.120 0.005 0.000 0.286 1146 V C 0.274 176.413 176.094 0.074 0.000 1.042 1146 V CA -0.498 61.825 62.300 0.038 0.000 0.928 1146 V CB 1.220 33.066 31.823 0.038 0.000 0.986 1146 V HN 0.770 nan 8.190 nan 0.000 0.462 1147 K N 4.164 124.588 120.400 0.040 0.000 2.469 1147 K HA 0.588 4.912 4.320 0.005 0.000 0.254 1147 K C -1.282 175.332 176.600 0.024 0.000 0.939 1147 K CA -0.987 55.333 56.287 0.054 0.000 0.812 1147 K CB 2.432 34.942 32.500 0.017 0.000 1.301 1147 K HN 0.349 nan 8.250 nan 0.000 0.433 1148 I N 1.876 122.464 120.570 0.030 0.000 2.598 1148 I HA 0.043 4.216 4.170 0.005 0.000 0.284 1148 I C 1.170 177.285 176.117 -0.003 0.000 1.140 1148 I CA 0.596 61.863 61.300 -0.056 0.000 1.420 1148 I CB 0.127 38.093 38.000 -0.057 0.000 1.387 1148 I HN 1.031 nan 8.210 nan 0.000 0.553 1149 G N 4.860 113.566 108.800 -0.156 0.000 3.146 1149 G HA2 0.039 4.002 3.960 0.005 0.000 0.238 1149 G HA3 0.039 4.002 3.960 0.005 0.000 0.238 1149 G C 0.012 174.875 174.900 -0.061 0.000 1.022 1149 G CA 0.044 45.131 45.100 -0.022 0.000 0.880 1149 G HN 0.621 nan 8.290 nan 0.000 0.533 1150 D N -0.463 119.715 120.400 -0.371 0.000 2.970 1150 D HA 0.360 5.003 4.640 0.005 0.000 0.230 1150 D C -1.190 174.812 176.300 -0.497 0.000 1.276 1150 D CA -0.606 53.257 54.000 -0.228 0.000 0.910 1150 D CB 1.536 42.251 40.800 -0.143 0.000 1.590 1150 D HN -0.037 nan 8.370 nan 0.000 0.551 1151 F N 1.404 121.331 119.950 -0.037 0.000 2.814 1151 F HA 0.300 4.830 4.527 0.005 0.000 0.326 1151 F C 1.936 177.654 175.800 -0.137 0.000 1.159 1151 F CA -0.630 57.279 58.000 -0.151 0.000 1.234 1151 F CB 1.422 40.378 39.000 -0.072 0.000 1.016 1151 F HN 0.507 nan 8.300 nan 0.000 0.510 1152 G N 0.023 108.818 108.800 -0.008 0.000 2.586 1152 G HA2 -0.146 3.817 3.960 0.005 0.000 0.215 1152 G HA3 -0.146 3.817 3.960 0.005 0.000 0.215 1152 G C 1.193 176.134 174.900 0.068 0.000 1.128 1152 G CA 0.699 45.845 45.100 0.076 0.000 0.774 1152 G HN 0.385 nan 8.290 nan 0.000 0.543 1153 M N 0.004 119.560 119.600 -0.073 0.000 2.289 1153 M HA 0.130 4.613 4.480 0.005 0.000 0.335 1153 M C 0.036 176.265 176.300 -0.119 0.000 0.961 1153 M CA -0.021 55.221 55.300 -0.096 0.000 1.018 1153 M CB 1.255 33.773 32.600 -0.136 0.000 1.678 1153 M HN -0.131 nan 8.290 nan 0.000 0.589 1154 T N 2.912 117.408 114.554 -0.097 0.000 2.888 1154 T HA 0.237 4.590 4.350 0.005 0.000 0.301 1154 T C 0.178 174.942 174.700 0.107 0.000 1.001 1154 T CA 0.241 62.341 62.100 0.000 0.000 1.147 1154 T CB 0.434 69.356 68.868 0.091 0.000 0.931 1154 T HN 0.140 nan 8.240 nan 0.000 0.541 1155 R N 2.215 122.828 120.500 0.189 0.000 2.686 1155 R HA 0.309 4.652 4.340 0.005 0.000 0.283 1155 R C -0.783 175.682 176.300 0.276 0.000 0.978 1155 R CA -1.050 55.168 56.100 0.197 0.000 0.897 1155 R CB 1.566 31.901 30.300 0.059 0.000 1.192 1155 R HN 0.687 nan 8.270 nan 0.000 0.457 1156 D N 2.552 123.048 120.400 0.161 0.000 2.458 1156 D HA 0.171 4.814 4.640 0.005 0.000 0.243 1156 D C 0.279 176.487 176.300 -0.154 0.000 1.146 1156 D CA 0.099 53.952 54.000 -0.245 0.000 0.877 1156 D CB 0.512 41.169 40.800 -0.238 0.000 1.176 1156 D HN 0.465 nan 8.370 nan 0.000 0.461 1160 T N -1.396 113.147 114.554 -0.018 0.000 2.975 1160 T HA 0.243 4.596 4.350 0.005 0.000 0.261 1160 T C 0.097 174.802 174.700 0.007 0.000 0.984 1160 T CA 0.387 62.486 62.100 -0.002 0.000 0.911 1160 T CB 0.728 69.599 68.868 0.005 0.000 1.127 1160 T HN -0.011 nan 8.240 nan 0.000 0.514 1165 K N 2.816 123.341 120.400 0.208 0.000 2.670 1165 K HA 0.314 4.637 4.320 0.005 0.000 0.274 1165 K C -0.932 175.762 176.600 0.156 0.000 1.068 1165 K CA -0.368 56.009 56.287 0.149 0.000 0.967 1165 K CB 1.569 34.138 32.500 0.114 0.000 1.297 1165 K HN 0.768 nan 8.250 nan 0.000 0.477 1166 G N 1.209 110.064 108.800 0.092 0.000 2.537 1166 G HA2 0.766 4.730 3.960 0.005 0.000 0.297 1166 G HA3 0.766 4.730 3.960 0.005 0.000 0.297 1166 G C 0.151 175.087 174.900 0.060 0.000 1.310 1166 G CA 0.031 45.172 45.100 0.068 0.000 1.027 1166 G HN 0.929 nan 8.290 nan 0.000 0.505 1167 G N -1.295 107.532 108.800 0.045 0.000 2.566 1167 G HA2 -0.081 3.882 3.960 0.005 0.000 0.599 1167 G HA3 -0.081 3.882 3.960 0.005 0.000 0.599 1167 G C -0.388 174.536 174.900 0.041 0.000 1.292 1167 G CA -0.445 44.678 45.100 0.038 0.000 0.922 1167 G HN 0.683 nan 8.290 nan 0.000 0.514 1168 K N -0.024 120.397 120.400 0.035 0.000 2.237 1168 K HA 0.582 4.905 4.320 0.005 0.000 0.270 1168 K C 0.532 177.158 176.600 0.043 0.000 1.015 1168 K CA 0.475 56.783 56.287 0.035 0.000 0.949 1168 K CB 1.273 33.789 32.500 0.028 0.000 0.976 1168 K HN 1.398 nan 8.250 nan 0.000 0.472 1169 G N 1.171 109.999 108.800 0.047 0.000 2.579 1169 G HA2 0.209 4.172 3.960 0.005 0.000 0.292 1169 G HA3 0.209 4.172 3.960 0.005 0.000 0.292 1169 G C -1.672 173.259 174.900 0.053 0.000 1.484 1169 G CA -0.903 44.227 45.100 0.051 0.000 0.813 1169 G HN 0.463 nan 8.290 nan 0.000 0.515 1170 L N 1.588 122.841 121.223 0.049 0.000 2.363 1170 L HA 0.504 4.848 4.340 0.005 0.000 0.286 1170 L C -0.600 176.304 176.870 0.058 0.000 1.106 1170 L CA -0.192 54.678 54.840 0.049 0.000 0.859 1170 L CB -0.108 41.975 42.059 0.039 0.000 1.223 1170 L HN 0.302 nan 8.230 nan 0.000 0.446 1171 L N 6.270 127.538 121.223 0.075 0.000 2.354 1171 L HA 0.504 4.847 4.340 0.005 0.000 0.264 1171 L C -1.893 175.055 176.870 0.131 0.000 1.008 1171 L CA -1.594 53.306 54.840 0.101 0.000 0.819 1171 L CB 2.413 44.545 42.059 0.122 0.000 1.339 1171 L HN 0.406 nan 8.230 nan 0.000 0.420 1172 P HA 0.005 nan 4.420 nan 0.000 0.226 1172 P C 0.885 178.406 177.300 0.368 0.000 1.783 1172 P CA 0.063 63.310 63.100 0.244 0.000 0.980 1172 P CB 0.528 32.328 31.700 0.167 0.000 1.967 1173 V N 3.088 123.160 119.914 0.262 0.000 2.370 1173 V HA -0.296 3.827 4.120 0.005 0.000 0.252 1173 V C 2.218 178.426 176.094 0.191 0.000 1.068 1173 V CA 1.921 64.328 62.300 0.178 0.000 1.061 1173 V CB -0.476 31.402 31.823 0.091 0.000 0.656 1173 V HN 0.288 nan 8.190 nan 0.000 0.455 1174 R N -1.400 119.272 120.500 0.287 0.000 2.316 1174 R HA -0.051 4.292 4.340 0.005 0.000 0.202 1174 R C 1.767 178.069 176.300 0.003 0.000 1.029 1174 R CA 1.295 57.456 56.100 0.102 0.000 1.018 1174 R CB -0.145 30.094 30.300 -0.102 0.000 0.888 1174 R HN 0.644 nan 8.270 nan 0.000 0.471 1175 W N -0.249 121.199 121.300 0.247 0.000 3.103 1175 W HA 0.280 4.943 4.660 0.006 0.000 0.325 1175 W C 0.096 176.843 176.519 0.380 0.000 1.170 1175 W CA -0.440 57.098 57.345 0.321 0.000 1.712 1175 W CB 0.333 29.949 29.460 0.260 0.000 1.068 1175 W HN -0.004 nan 8.180 nan 0.000 0.592 1176 M N 0.619 120.439 119.600 0.367 0.000 2.249 1176 M HA 0.390 4.873 4.480 0.005 0.000 0.351 1176 M C 0.607 176.672 176.300 -0.392 0.000 1.180 1176 M CA -0.228 55.140 55.300 0.113 0.000 1.127 1176 M CB 1.273 33.918 32.600 0.075 0.000 1.546 1176 M HN -0.269 nan 8.290 nan 0.000 0.461 1177 A N 4.593 127.027 122.820 -0.643 0.000 2.425 1177 A HA 0.314 4.637 4.320 0.005 0.000 0.242 1177 A C -1.583 175.429 177.584 -0.953 0.000 1.077 1177 A CA -1.247 50.011 52.037 -1.298 0.000 0.781 1177 A CB -0.433 18.172 19.000 -0.658 0.000 1.020 1177 A HN 0.659 nan 8.150 nan 0.000 0.494 1178 P HA -0.242 nan 4.420 nan 0.000 0.216 1178 P C 1.112 178.100 177.300 -0.520 0.000 1.153 1178 P CA 1.817 64.510 63.100 -0.678 0.000 0.858 1178 P CB 0.003 31.265 31.700 -0.730 0.000 0.789 1179 E N 0.107 119.971 120.200 -0.561 0.000 2.274 1179 E HA -0.076 4.277 4.350 0.005 0.000 0.194 1179 E C 1.717 178.087 176.600 -0.383 0.000 0.996 1179 E CA 1.040 57.199 56.400 -0.402 0.000 0.840 1179 E CB -1.014 28.473 29.700 -0.355 0.000 0.772 1179 E HN 0.161 nan 8.360 nan 0.000 0.491 1180 S N 1.232 116.640 115.700 -0.487 0.000 2.371 1180 S HA 0.021 4.494 4.470 0.005 0.000 0.224 1180 S C 2.136 176.490 174.600 -0.410 0.000 1.029 1180 S CA 0.916 58.731 58.200 -0.642 0.000 0.978 1180 S CB -0.238 62.463 63.200 -0.831 0.000 0.833 1180 S HN 0.215 nan 8.310 nan 0.000 0.466 1181 L N 1.155 122.191 121.223 -0.311 0.000 2.141 1181 L HA -0.045 4.298 4.340 0.005 0.000 0.209 1181 L C 2.523 179.306 176.870 -0.146 0.000 1.094 1181 L CA 1.150 55.878 54.840 -0.187 0.000 0.763 1181 L CB -0.329 41.619 42.059 -0.185 0.000 0.908 1181 L HN 0.234 nan 8.230 nan 0.000 0.437 1182 K N -0.197 120.098 120.400 -0.174 0.000 2.078 1182 K HA -0.082 4.242 4.320 0.005 0.000 0.203 1182 K C 0.988 177.528 176.600 -0.099 0.000 1.043 1182 K CA 1.220 57.438 56.287 -0.115 0.000 0.960 1182 K CB 0.269 32.705 32.500 -0.106 0.000 0.761 1182 K HN 0.193 nan 8.250 nan 0.000 0.448 1183 D N -0.825 119.495 120.400 -0.133 0.000 2.369 1183 D HA 0.104 4.747 4.640 0.005 0.000 0.211 1183 D C 0.624 176.869 176.300 -0.091 0.000 1.077 1183 D CA 0.677 54.619 54.000 -0.097 0.000 0.842 1183 D CB 0.914 41.655 40.800 -0.097 0.000 0.947 1183 D HN 0.517 nan 8.370 nan 0.000 0.509 1184 G N 1.628 110.344 108.800 -0.139 0.000 2.203 1184 G HA2 -0.263 3.700 3.960 0.005 0.000 0.263 1184 G HA3 -0.263 3.700 3.960 0.005 0.000 0.263 1184 G C 0.293 175.119 174.900 -0.124 0.000 1.012 1184 G CA 0.588 45.634 45.100 -0.089 0.000 0.749 1184 G HN 0.383 nan 8.290 nan 0.000 0.512 1185 V N -0.057 119.680 119.914 -0.296 0.000 2.481 1185 V HA 0.829 4.952 4.120 0.005 0.000 0.286 1185 V C -0.485 175.358 176.094 -0.418 0.000 1.042 1185 V CA -0.999 61.190 62.300 -0.184 0.000 0.928 1185 V CB 0.922 32.682 31.823 -0.106 0.000 0.986 1185 V HN 0.260 nan 8.190 nan 0.000 0.462 1186 F N 4.584 124.549 119.950 0.025 0.000 2.518 1186 F HA 0.728 5.259 4.527 0.006 0.000 0.323 1186 F C 0.455 176.296 175.800 0.068 0.000 1.129 1186 F CA -0.331 57.702 58.000 0.055 0.000 0.920 1186 F CB 2.287 41.332 39.000 0.075 0.000 1.160 1186 F HN 0.668 nan 8.300 nan 0.000 0.440 1187 T N -2.544 112.144 114.554 0.223 0.000 2.804 1187 T HA 0.229 4.583 4.350 0.005 0.000 0.290 1187 T C 0.683 175.516 174.700 0.222 0.000 1.099 1187 T CA -0.365 61.842 62.100 0.178 0.000 1.011 1187 T CB 1.496 70.425 68.868 0.101 0.000 1.291 1187 T HN 0.442 nan 8.240 nan 0.000 0.523 1188 T N 0.241 114.919 114.554 0.207 0.000 2.881 1188 T HA -0.082 4.271 4.350 0.005 0.000 0.270 1188 T C 1.853 176.692 174.700 0.233 0.000 1.068 1188 T CA 2.138 64.404 62.100 0.277 0.000 1.131 1188 T CB -1.021 68.005 68.868 0.263 0.000 0.871 1188 T HN 0.608 nan 8.240 nan 0.000 0.479 1189 S N 1.132 116.916 115.700 0.141 0.000 2.383 1189 S HA -0.085 4.388 4.470 0.005 0.000 0.227 1189 S C 2.408 177.110 174.600 0.170 0.000 1.026 1189 S CA 1.322 59.582 58.200 0.099 0.000 0.981 1189 S CB -0.364 62.871 63.200 0.059 0.000 0.818 1189 S HN 0.819 nan 8.310 nan 0.000 0.472 1190 S N 1.977 117.783 115.700 0.177 0.000 2.406 1190 S HA -0.095 4.379 4.470 0.005 0.000 0.228 1190 S C 1.268 176.092 174.600 0.373 0.000 1.020 1190 S CA 0.941 59.267 58.200 0.209 0.000 0.965 1190 S CB -0.439 62.803 63.200 0.069 0.000 0.798 1190 S HN 0.263 nan 8.310 nan 0.000 0.488 1191 D N 1.379 122.024 120.400 0.408 0.000 2.144 1191 D HA -0.036 4.607 4.640 0.005 0.000 0.199 1191 D C 1.757 178.410 176.300 0.590 0.000 0.984 1191 D CA 1.128 55.444 54.000 0.528 0.000 0.834 1191 D CB -0.402 40.749 40.800 0.586 0.000 0.955 1191 D HN 0.375 nan 8.370 nan 0.000 0.465 1192 M N -0.039 119.764 119.600 0.338 0.000 2.117 1192 M HA -0.118 4.366 4.480 0.005 0.000 0.262 1192 M C 1.846 178.334 176.300 0.313 0.000 1.065 1192 M CA 1.237 56.577 55.300 0.066 0.000 1.114 1192 M CB -0.590 31.882 32.600 -0.213 0.000 1.361 1192 M HN 0.238 nan 8.290 nan 0.000 0.408 1193 W N 0.486 121.920 121.300 0.223 0.000 2.315 1193 W HA -0.242 4.421 4.660 0.005 0.000 0.323 1193 W C 1.974 178.761 176.519 0.446 0.000 1.233 1193 W CA 2.286 59.835 57.345 0.341 0.000 1.267 1193 W CB -1.157 28.455 29.460 0.252 0.000 1.160 1193 W HN 0.280 nan 8.180 nan 0.000 0.474 1194 S N 0.766 116.913 115.700 0.745 0.000 2.383 1194 S HA -0.260 4.214 4.470 0.005 0.000 0.229 1194 S C 1.550 176.469 174.600 0.531 0.000 1.030 1194 S CA 1.709 60.309 58.200 0.667 0.000 1.002 1194 S CB -1.138 62.442 63.200 0.633 0.000 0.829 1194 S HN 0.362 nan 8.310 nan 0.000 0.467 1195 F N 2.689 122.856 119.950 0.361 0.000 2.126 1195 F HA -0.065 4.465 4.527 0.005 0.000 0.299 1195 F C 2.282 178.165 175.800 0.138 0.000 1.096 1195 F CA 1.272 59.438 58.000 0.276 0.000 1.255 1195 F CB -1.006 38.206 39.000 0.353 0.000 0.997 1195 F HN 0.212 nan 8.300 nan 0.000 0.479 1196 G N 0.104 108.914 108.800 0.018 0.000 2.476 1196 G HA2 -0.262 3.701 3.960 0.005 0.000 0.218 1196 G HA3 -0.262 3.701 3.960 0.005 0.000 0.218 1196 G C 1.733 176.642 174.900 0.016 0.000 1.164 1196 G CA 1.419 46.318 45.100 -0.336 0.000 0.768 1196 G HN 0.353 nan 8.290 nan 0.000 0.560 1197 V N 0.527 120.647 119.914 0.343 0.000 2.407 1197 V HA -0.171 3.952 4.120 0.005 0.000 0.248 1197 V C 3.036 179.317 176.094 0.311 0.000 1.055 1197 V CA 1.437 63.925 62.300 0.314 0.000 1.049 1197 V CB -0.416 31.429 31.823 0.037 0.000 0.662 1197 V HN 0.254 nan 8.190 nan 0.000 0.455 1198 V N -0.022 120.044 119.914 0.253 0.000 2.332 1198 V HA -0.278 3.845 4.120 0.005 0.000 0.248 1198 V C 2.327 178.431 176.094 0.018 0.000 1.055 1198 V CA 2.026 64.430 62.300 0.173 0.000 1.038 1198 V CB -0.597 31.270 31.823 0.074 0.000 0.651 1198 V HN 0.461 nan 8.190 nan 0.000 0.450 1199 L N -1.617 119.499 121.223 -0.180 0.000 2.083 1199 L HA -0.225 4.119 4.340 0.005 0.000 0.209 1199 L C 2.309 179.170 176.870 -0.015 0.000 1.083 1199 L CA 2.204 56.925 54.840 -0.199 0.000 0.752 1199 L CB -0.568 41.278 42.059 -0.356 0.000 0.899 1199 L HN 0.528 nan 8.230 nan 0.000 0.433 1200 W N 1.432 122.690 121.300 -0.070 0.000 2.355 1200 W HA -0.184 4.479 4.660 0.004 0.000 0.309 1200 W C 2.431 178.946 176.519 -0.006 0.000 1.206 1200 W CA 1.587 58.937 57.345 0.007 0.000 1.284 1200 W CB 0.017 29.560 29.460 0.138 0.000 1.145 1200 W HN 0.069 nan 8.180 nan 0.000 0.502 1201 E N 0.274 120.683 120.200 0.348 0.000 2.070 1201 E HA -0.291 4.063 4.350 0.005 0.000 0.197 1201 E C 2.083 178.674 176.600 -0.016 0.000 1.004 1201 E CA 2.062 58.575 56.400 0.189 0.000 0.805 1201 E CB -0.576 29.331 29.700 0.344 0.000 0.744 1201 E HN 0.389 nan 8.360 nan 0.000 0.451 1202 I N 1.019 121.584 120.570 -0.009 0.000 2.163 1202 I HA -0.265 3.909 4.170 0.005 0.000 0.243 1202 I C 2.657 178.702 176.117 -0.120 0.000 1.085 1202 I CA 1.705 62.978 61.300 -0.045 0.000 1.347 1202 I CB -0.403 37.573 38.000 -0.040 0.000 1.044 1202 I HN 0.237 nan 8.210 nan 0.000 0.408 1203 T N -3.333 111.108 114.554 -0.188 0.000 3.100 1203 T HA 0.031 4.384 4.350 0.005 0.000 0.253 1203 T C 1.471 175.971 174.700 -0.333 0.000 1.118 1203 T CA 0.643 62.606 62.100 -0.228 0.000 1.058 1203 T CB -0.147 68.596 68.868 -0.207 0.000 0.953 1203 T HN 0.387 nan 8.240 nan 0.000 0.515 1204 S N 0.917 116.338 115.700 -0.465 0.000 2.559 1204 S HA 0.341 4.814 4.470 0.005 0.000 0.226 1204 S C 0.776 175.189 174.600 -0.313 0.000 1.000 1204 S CA -0.562 57.314 58.200 -0.539 0.000 0.948 1204 S CB -0.745 61.789 63.200 -1.110 0.000 0.870 1204 S HN 0.489 nan 8.310 nan 0.000 0.497 1205 L N 0.760 121.858 121.223 -0.208 0.000 3.660 1205 L HA -0.272 4.071 4.340 0.005 0.000 0.440 1205 L C 0.815 177.646 176.870 -0.065 0.000 1.262 1205 L CA 0.062 54.831 54.840 -0.118 0.000 0.837 1205 L CB -2.527 39.464 42.059 -0.115 0.000 1.689 1205 L HN 0.787 nan 8.230 nan 0.000 0.890 1206 A N -0.838 121.964 122.820 -0.031 0.000 2.739 1206 A HA -0.214 4.110 4.320 0.005 0.000 0.296 1206 A C 0.806 178.464 177.584 0.124 0.000 1.488 1206 A CA 1.650 53.748 52.037 0.101 0.000 0.746 1206 A CB -1.244 17.835 19.000 0.131 0.000 1.047 1206 A HN 0.715 nan 8.150 nan 0.000 0.477 1207 E N 0.142 120.378 120.200 0.060 0.000 2.410 1207 E HA 0.226 4.579 4.350 0.005 0.000 0.255 1207 E C 0.402 177.214 176.600 0.353 0.000 1.194 1207 E CA -0.422 56.068 56.400 0.149 0.000 0.955 1207 E CB 0.246 29.986 29.700 0.068 0.000 0.988 1207 E HN 0.535 nan 8.360 nan 0.000 0.461 1208 Q N 1.751 121.711 119.800 0.268 0.000 2.296 1208 Q HA 0.181 4.524 4.340 0.005 0.000 0.262 1208 Q C -2.221 173.821 176.000 0.069 0.000 0.981 1208 Q CA -1.791 54.132 55.803 0.200 0.000 0.905 1208 Q CB 0.301 29.125 28.738 0.144 0.000 1.186 1208 Q HN 0.207 nan 8.270 nan 0.000 0.399 1209 P HA -0.034 nan 4.420 nan 0.000 0.268 1209 P C -0.989 176.003 177.300 -0.514 0.000 1.205 1209 P CA 0.032 62.533 63.100 -0.999 0.000 0.771 1209 P CB 0.167 31.092 31.700 -1.292 0.000 0.858 1210 Y N -1.041 119.002 120.300 -0.429 0.000 3.477 1210 Y HA -0.226 4.328 4.550 0.005 0.000 0.216 1210 Y C 0.775 176.567 175.900 -0.180 0.000 1.296 1210 Y CA 0.068 57.992 58.100 -0.293 0.000 1.535 1210 Y CB -2.778 35.511 38.460 -0.285 0.000 1.482 1210 Y HN 0.351 nan 8.280 nan 0.000 0.597 1211 Q N 1.402 121.188 119.800 -0.025 0.000 2.330 1211 Q HA 0.429 4.772 4.340 0.005 0.000 0.279 1211 Q C 1.352 177.344 176.000 -0.014 0.000 1.024 1211 Q CA 1.538 57.347 55.803 0.010 0.000 0.900 1211 Q CB 0.923 29.686 28.738 0.043 0.000 1.221 1211 Q HN 0.874 nan 8.270 nan 0.000 0.396 1212 G N 2.833 111.626 108.800 -0.012 0.000 2.217 1212 G HA2 -0.220 3.743 3.960 0.005 0.000 0.246 1212 G HA3 -0.220 3.743 3.960 0.005 0.000 0.246 1212 G C -0.294 174.575 174.900 -0.053 0.000 0.990 1212 G CA 0.185 45.266 45.100 -0.031 0.000 0.627 1212 G HN 0.518 nan 8.290 nan 0.000 0.522 1213 L N 2.246 123.434 121.223 -0.058 0.000 2.307 1213 L HA 0.596 4.939 4.340 0.005 0.000 0.284 1213 L C 1.298 178.143 176.870 -0.042 0.000 1.023 1213 L CA -0.321 54.470 54.840 -0.081 0.000 0.810 1213 L CB 1.706 43.675 42.059 -0.149 0.000 1.231 1213 L HN 0.396 nan 8.230 nan 0.000 0.423 1214 S N 1.566 117.243 115.700 -0.038 0.000 2.596 1214 S HA 0.084 4.557 4.470 0.005 0.000 0.260 1214 S C 0.958 175.545 174.600 -0.022 0.000 1.336 1214 S CA -0.547 57.642 58.200 -0.018 0.000 0.993 1214 S CB 0.681 63.872 63.200 -0.015 0.000 0.923 1214 S HN 0.627 nan 8.310 nan 0.000 0.567 1215 N N 1.302 120.001 118.700 -0.001 0.000 2.104 1215 N HA -0.124 4.619 4.740 0.005 0.000 0.190 1215 N C 1.599 177.098 175.510 -0.019 0.000 1.024 1215 N CA 1.716 54.767 53.050 0.002 0.000 0.853 1215 N CB -0.550 37.954 38.487 0.028 0.000 1.008 1215 N HN 0.769 nan 8.380 nan 0.000 0.424 1216 E N 0.674 120.865 120.200 -0.015 0.000 2.150 1216 E HA -0.110 4.244 4.350 0.005 0.000 0.193 1216 E C 1.849 178.431 176.600 -0.029 0.000 0.985 1216 E CA 0.606 56.995 56.400 -0.018 0.000 0.814 1216 E CB 0.010 29.704 29.700 -0.010 0.000 0.752 1216 E HN 0.455 nan 8.360 nan 0.000 0.466 1217 Q N 0.006 119.782 119.800 -0.040 0.000 2.172 1217 Q HA -0.090 4.253 4.340 0.005 0.000 0.200 1217 Q C 2.278 178.240 176.000 -0.063 0.000 0.964 1217 Q CA 0.851 56.625 55.803 -0.048 0.000 0.855 1217 Q CB 0.246 28.942 28.738 -0.070 0.000 0.918 1217 Q HN 0.132 nan 8.270 nan 0.000 0.444 1218 V N 1.101 120.942 119.914 -0.121 0.000 2.295 1218 V HA -0.264 3.860 4.120 0.005 0.000 0.246 1218 V C 2.185 178.182 176.094 -0.161 0.000 1.049 1218 V CA 1.518 63.676 62.300 -0.236 0.000 1.024 1218 V CB -0.603 31.022 31.823 -0.330 0.000 0.648 1218 V HN 0.345 nan 8.190 nan 0.000 0.447 1219 L N 0.420 121.581 121.223 -0.104 0.000 1.997 1219 L HA -0.247 4.096 4.340 0.005 0.000 0.216 1219 L C 2.420 179.253 176.870 -0.061 0.000 1.074 1219 L CA 2.141 56.932 54.840 -0.081 0.000 0.763 1219 L CB -0.729 41.301 42.059 -0.048 0.000 0.890 1219 L HN 0.240 nan 8.230 nan 0.000 0.434 1220 K N -1.375 119.009 120.400 -0.026 0.000 2.002 1220 K HA -0.198 4.126 4.320 0.005 0.000 0.209 1220 K C 2.109 178.722 176.600 0.021 0.000 1.048 1220 K CA 1.743 58.030 56.287 -0.001 0.000 0.930 1220 K CB -0.600 31.909 32.500 0.015 0.000 0.714 1220 K HN 0.297 nan 8.250 nan 0.000 0.438 1221 F N 1.925 121.799 119.950 -0.127 0.000 2.065 1221 F HA -0.263 4.267 4.527 0.005 0.000 0.298 1221 F C 1.994 177.732 175.800 -0.105 0.000 1.112 1221 F CA 1.373 59.296 58.000 -0.127 0.000 1.212 1221 F CB -0.406 38.483 39.000 -0.184 0.000 0.975 1221 F HN -0.264 nan 8.300 nan 0.000 0.476 1222 V N 0.490 120.291 119.914 -0.187 0.000 2.358 1222 V HA -0.319 3.804 4.120 0.005 0.000 0.246 1222 V C 2.489 178.501 176.094 -0.136 0.000 1.047 1222 V CA 2.064 64.224 62.300 -0.234 0.000 1.035 1222 V CB -0.594 31.094 31.823 -0.224 0.000 0.658 1222 V HN 0.386 nan 8.190 nan 0.000 0.452 1223 M N -0.092 119.446 119.600 -0.102 0.000 2.279 1223 M HA -0.171 4.313 4.480 0.005 0.000 0.264 1223 M C 1.622 177.968 176.300 0.076 0.000 1.062 1223 M CA 1.639 56.933 55.300 -0.010 0.000 1.099 1223 M CB -0.423 32.153 32.600 -0.039 0.000 1.394 1223 M HN 0.301 nan 8.290 nan 0.000 0.426 1224 D N -0.519 119.857 120.400 -0.040 0.000 2.319 1224 D HA 0.114 4.757 4.640 0.005 0.000 0.230 1224 D C 1.031 177.228 176.300 -0.172 0.000 1.094 1224 D CA 0.876 54.818 54.000 -0.097 0.000 0.856 1224 D CB 0.014 40.760 40.800 -0.089 0.000 0.915 1224 D HN 0.459 nan 8.370 nan 0.000 0.517 1225 G N -0.936 107.811 108.800 -0.088 0.000 2.159 1225 G HA2 -0.149 3.814 3.960 0.005 0.000 0.227 1225 G HA3 -0.149 3.814 3.960 0.005 0.000 0.227 1225 G C 0.683 175.527 174.900 -0.093 0.000 0.986 1225 G CA -0.126 44.947 45.100 -0.045 0.000 0.651 1225 G HN 0.617 nan 8.290 nan 0.000 0.523 1226 G N -0.221 108.260 108.800 -0.533 0.000 2.527 1226 G HA2 0.717 4.681 3.960 0.005 0.000 0.248 1226 G HA3 0.717 4.681 3.960 0.005 0.000 0.248 1226 G C -0.248 174.404 174.900 -0.414 0.000 1.231 1226 G CA 0.301 44.666 45.100 -1.224 0.000 0.838 1226 G HN 1.512 nan 8.290 nan 0.000 0.570 1227 Y N -1.404 118.782 120.300 -0.190 0.000 2.705 1227 Y HA 0.646 5.199 4.550 0.006 0.000 0.332 1227 Y C -0.641 175.235 175.900 -0.040 0.000 1.221 1227 Y CA -1.708 56.342 58.100 -0.083 0.000 1.059 1227 Y CB 0.827 39.167 38.460 -0.200 0.000 1.298 1227 Y HN 0.451 nan 8.280 nan 0.000 0.459 1228 L N 2.659 123.625 121.223 -0.428 0.000 2.417 1228 L HA 0.234 4.577 4.340 0.005 0.000 0.268 1228 L C -0.182 176.705 176.870 0.028 0.000 1.158 1228 L CA -0.192 54.343 54.840 -0.507 0.000 0.819 1228 L CB 0.233 41.574 42.059 -1.198 0.000 1.112 1228 L HN 0.603 nan 8.230 nan 0.000 0.458 1229 D N 1.220 121.673 120.400 0.088 0.000 2.354 1229 D HA 0.104 4.747 4.640 0.005 0.000 0.247 1229 D C -0.086 176.436 176.300 0.369 0.000 1.138 1229 D CA -0.406 53.724 54.000 0.216 0.000 0.958 1229 D CB 0.698 41.575 40.800 0.129 0.000 1.144 1229 D HN 0.303 nan 8.370 nan 0.000 0.458 1230 Q N 1.057 121.020 119.800 0.272 0.000 2.313 1230 Q HA 0.252 4.595 4.340 0.005 0.000 0.266 1230 Q C -2.022 174.036 176.000 0.097 0.000 0.989 1230 Q CA -1.376 54.551 55.803 0.206 0.000 0.890 1230 Q CB -0.017 28.795 28.738 0.123 0.000 1.200 1230 Q HN 0.108 nan 8.270 nan 0.000 0.396 1231 P HA -0.013 nan 4.420 nan 0.000 0.269 1231 P C -0.676 176.565 177.300 -0.098 0.000 1.215 1231 P CA -0.178 62.819 63.100 -0.170 0.000 0.780 1231 P CB 0.518 31.984 31.700 -0.390 0.000 0.898 1232 D N 1.629 121.973 120.400 -0.093 0.000 2.488 1232 D HA -0.039 4.605 4.640 0.005 0.000 0.238 1232 D C 0.547 176.800 176.300 -0.077 0.000 1.138 1232 D CA 0.627 54.587 54.000 -0.066 0.000 0.873 1232 D CB -0.498 40.264 40.800 -0.062 0.000 1.183 1232 D HN 0.412 nan 8.370 nan 0.000 0.458 1233 N N -0.853 117.813 118.700 -0.056 0.000 2.741 1233 N HA -0.224 4.519 4.740 0.005 0.000 0.251 1233 N C -0.184 175.286 175.510 -0.067 0.000 1.112 1233 N CA 0.281 53.297 53.050 -0.057 0.000 0.750 1233 N CB -1.602 36.850 38.487 -0.058 0.000 1.119 1233 N HN 0.436 nan 8.380 nan 0.000 0.561 1234 C N 2.003 121.261 119.300 -0.071 0.000 2.648 1234 C HA 0.202 4.665 4.460 0.005 0.000 0.415 1234 C C -1.406 173.547 174.990 -0.060 0.000 1.366 1234 C CA -1.516 57.455 59.018 -0.079 0.000 1.756 1234 C CB -0.339 27.355 27.740 -0.076 0.000 2.549 1234 C HN 0.289 nan 8.230 nan 0.000 0.597 1235 P HA 0.103 nan 4.420 nan 0.000 0.268 1235 P C 0.561 177.830 177.300 -0.052 0.000 1.205 1235 P CA 0.403 63.470 63.100 -0.054 0.000 0.771 1235 P CB 0.493 32.159 31.700 -0.057 0.000 0.858 1236 E N 2.398 122.573 120.200 -0.042 0.000 2.110 1236 E HA -0.196 4.157 4.350 0.005 0.000 0.193 1236 E C 1.869 178.440 176.600 -0.050 0.000 0.988 1236 E CA 1.123 57.499 56.400 -0.039 0.000 0.804 1236 E CB -0.157 29.525 29.700 -0.030 0.000 0.745 1236 E HN 0.495 nan 8.360 nan 0.000 0.458 1237 R N 0.622 121.091 120.500 -0.051 0.000 2.105 1237 R HA -0.127 4.216 4.340 0.005 0.000 0.239 1237 R C 2.263 178.519 176.300 -0.074 0.000 1.135 1237 R CA 1.269 57.335 56.100 -0.057 0.000 0.967 1237 R CB 0.033 30.302 30.300 -0.052 0.000 0.861 1237 R HN 0.016 nan 8.270 nan 0.000 0.442 1238 V N -0.480 119.385 119.914 -0.081 0.000 2.488 1238 V HA -0.151 3.972 4.120 0.005 0.000 0.246 1238 V C 2.118 178.130 176.094 -0.136 0.000 1.046 1238 V CA 1.990 64.225 62.300 -0.108 0.000 1.053 1238 V CB -0.384 31.375 31.823 -0.106 0.000 0.679 1238 V HN 0.394 nan 8.190 nan 0.000 0.458 1239 T N 0.181 114.673 114.554 -0.103 0.000 2.665 1239 T HA -0.240 4.113 4.350 0.005 0.000 0.268 1239 T C 1.663 176.286 174.700 -0.129 0.000 1.035 1239 T CA 2.023 64.066 62.100 -0.095 0.000 1.151 1239 T CB -0.430 68.415 68.868 -0.039 0.000 0.862 1239 T HN 0.464 nan 8.240 nan 0.000 0.438 1240 D N 0.881 121.219 120.400 -0.103 0.000 2.116 1240 D HA -0.049 4.594 4.640 0.005 0.000 0.193 1240 D C 2.161 178.371 176.300 -0.150 0.000 0.998 1240 D CA 0.765 54.703 54.000 -0.104 0.000 0.836 1240 D CB -0.517 40.238 40.800 -0.074 0.000 0.951 1240 D HN 0.279 nan 8.370 nan 0.000 0.449 1241 L N -0.063 121.066 121.223 -0.157 0.000 2.017 1241 L HA -0.174 4.169 4.340 0.005 0.000 0.208 1241 L C 2.611 179.284 176.870 -0.328 0.000 1.073 1241 L CA 0.903 55.637 54.840 -0.177 0.000 0.745 1241 L CB -0.256 41.736 42.059 -0.112 0.000 0.894 1241 L HN 0.091 nan 8.230 nan 0.000 0.432 1242 M N -1.194 118.128 119.600 -0.463 0.000 2.089 1242 M HA -0.280 4.203 4.480 0.005 0.000 0.257 1242 M C 2.425 178.097 176.300 -1.046 0.000 1.071 1242 M CA 1.720 56.453 55.300 -0.944 0.000 1.096 1242 M CB -0.363 31.685 32.600 -0.919 0.000 1.330 1242 M HN 0.124 nan 8.290 nan 0.000 0.403 1243 R N 0.049 120.228 120.500 -0.534 0.000 2.120 1243 R HA -0.098 4.245 4.340 0.005 0.000 0.234 1243 R C 1.836 177.968 176.300 -0.280 0.000 1.123 1243 R CA 1.288 57.190 56.100 -0.330 0.000 0.975 1243 R CB -0.335 29.867 30.300 -0.165 0.000 0.866 1243 R HN 0.389 nan 8.270 nan 0.000 0.446 1244 M N -0.809 118.634 119.600 -0.261 0.000 2.175 1244 M HA -0.128 4.355 4.480 0.005 0.000 0.264 1244 M C 2.457 178.649 176.300 -0.179 0.000 1.063 1244 M CA 0.943 56.140 55.300 -0.173 0.000 1.119 1244 M CB -1.220 31.298 32.600 -0.137 0.000 1.377 1244 M HN 0.102 nan 8.290 nan 0.000 0.415 1245 C N -1.098 118.007 119.300 -0.326 0.000 2.432 1245 C HA -0.126 4.337 4.460 0.005 0.000 0.282 1245 C C 1.808 176.703 174.990 -0.160 0.000 1.388 1245 C CA 0.203 59.045 59.018 -0.294 0.000 1.777 1245 C CB -1.047 26.400 27.740 -0.490 0.000 1.882 1245 C HN 0.607 nan 8.230 nan 0.000 0.520 1246 W N 0.669 121.778 121.300 -0.317 0.000 3.102 1246 W HA 0.286 4.949 4.660 0.006 0.000 0.401 1246 W C 0.470 176.951 176.519 -0.064 0.000 1.070 1246 W CA -0.732 56.321 57.345 -0.488 0.000 1.921 1246 W CB -1.058 27.924 29.460 -0.797 0.000 1.118 1246 W HN 0.404 nan 8.180 nan 0.000 0.647 1247 Q N 0.627 120.533 119.800 0.177 0.000 2.283 1247 Q HA -0.114 4.230 4.340 0.005 0.000 0.301 1247 Q C 1.153 177.349 176.000 0.326 0.000 1.063 1247 Q CA 0.348 56.264 55.803 0.187 0.000 0.952 1247 Q CB 0.599 29.403 28.738 0.109 0.000 1.166 1247 Q HN 0.165 nan 8.270 nan 0.000 0.381 1248 F N 2.953 123.006 119.950 0.171 0.000 2.126 1248 F HA -0.189 4.341 4.527 0.006 0.000 0.299 1248 F C 1.102 176.952 175.800 0.083 0.000 1.096 1248 F CA 1.160 59.245 58.000 0.141 0.000 1.255 1248 F CB 0.209 39.255 39.000 0.075 0.000 0.997 1248 F HN 0.510 nan 8.300 nan 0.000 0.479 1249 N N 1.595 120.401 118.700 0.177 0.000 2.401 1249 N HA 0.092 4.835 4.740 0.005 0.000 0.255 1249 N C -1.824 173.702 175.510 0.027 0.000 1.110 1249 N CA -2.285 50.808 53.050 0.071 0.000 0.949 1249 N CB 0.968 39.528 38.487 0.122 0.000 1.110 1249 N HN 0.005 nan 8.380 nan 0.000 0.490 1250 P HA -0.139 nan 4.420 nan 0.000 0.218 1250 P C 0.546 177.857 177.300 0.018 0.000 1.148 1250 P CA 1.094 64.194 63.100 -0.000 0.000 0.822 1250 P CB 0.396 32.073 31.700 -0.037 0.000 0.784 1251 N N -0.664 118.045 118.700 0.015 0.000 2.348 1251 N HA -0.076 4.667 4.740 0.005 0.000 0.185 1251 N C 1.478 177.000 175.510 0.020 0.000 1.019 1251 N CA 1.078 54.139 53.050 0.018 0.000 0.880 1251 N CB -0.342 38.157 38.487 0.019 0.000 0.965 1251 N HN 0.214 nan 8.380 nan 0.000 0.437 1252 M N 0.225 119.842 119.600 0.029 0.000 2.509 1252 M HA 0.099 4.582 4.480 0.005 0.000 0.250 1252 M C 0.505 176.812 176.300 0.012 0.000 1.132 1252 M CA 0.222 55.538 55.300 0.026 0.000 1.080 1252 M CB -0.113 32.513 32.600 0.042 0.000 1.408 1252 M HN -0.038 nan 8.290 nan 0.000 0.484 1253 R N 0.999 121.507 120.500 0.014 0.000 2.615 1253 R HA 0.269 4.612 4.340 0.005 0.000 0.270 1253 R C -2.151 174.117 176.300 -0.054 0.000 1.081 1253 R CA -1.425 54.669 56.100 -0.011 0.000 1.154 1253 R CB -0.408 29.903 30.300 0.020 0.000 1.063 1253 R HN -0.003 nan 8.270 nan 0.000 0.519 1254 P HA 0.019 nan 4.420 nan 0.000 0.272 1254 P C -0.430 176.759 177.300 -0.185 0.000 1.240 1254 P CA -0.309 62.717 63.100 -0.123 0.000 0.791 1254 P CB 0.504 32.117 31.700 -0.145 0.000 0.978 1255 T N -2.496 111.973 114.554 -0.142 0.000 2.902 1255 T HA 0.330 4.683 4.350 0.005 0.000 0.280 1255 T C 0.828 175.401 174.700 -0.212 0.000 0.992 1255 T CA -0.285 61.728 62.100 -0.145 0.000 1.015 1255 T CB 0.125 68.995 68.868 0.004 0.000 1.044 1255 T HN 0.059 nan 8.240 nan 0.000 0.520 1256 F N 0.030 119.953 119.950 -0.045 0.000 2.234 1256 F HA 0.119 4.651 4.527 0.008 0.000 0.299 1256 F C 2.232 178.022 175.800 -0.017 0.000 1.087 1256 F CA 0.792 58.725 58.000 -0.112 0.000 1.340 1256 F CB -0.737 38.207 39.000 -0.095 0.000 1.031 1256 F HN 0.422 nan 8.300 nan 0.000 0.500 1257 L N -0.312 121.066 121.223 0.259 0.000 2.046 1257 L HA -0.221 4.122 4.340 0.005 0.000 0.208 1257 L C 2.326 179.303 176.870 0.178 0.000 1.077 1257 L CA 1.472 56.493 54.840 0.302 0.000 0.747 1257 L CB -0.621 41.624 42.059 0.310 0.000 0.896 1257 L HN 0.166 nan 8.230 nan 0.000 0.432 1258 E N -0.058 120.189 120.200 0.080 0.000 2.153 1258 E HA -0.206 4.147 4.350 0.005 0.000 0.194 1258 E C 2.220 178.790 176.600 -0.050 0.000 0.988 1258 E CA 0.883 57.294 56.400 0.018 0.000 0.811 1258 E CB 0.102 29.794 29.700 -0.014 0.000 0.746 1258 E HN 0.410 nan 8.360 nan 0.000 0.466 1259 I N 0.591 121.110 120.570 -0.086 0.000 2.202 1259 I HA -0.203 3.970 4.170 0.005 0.000 0.242 1259 I C 2.451 178.478 176.117 -0.149 0.000 1.091 1259 I CA 0.969 62.202 61.300 -0.112 0.000 1.368 1259 I CB -1.153 36.742 38.000 -0.176 0.000 1.058 1259 I HN 0.008 nan 8.210 nan 0.000 0.410 1260 V N 1.566 121.361 119.914 -0.197 0.000 2.295 1260 V HA -0.301 3.822 4.120 0.005 0.000 0.246 1260 V C 2.365 178.079 176.094 -0.634 0.000 1.049 1260 V CA 2.322 64.372 62.300 -0.416 0.000 1.024 1260 V CB -1.168 30.366 31.823 -0.481 0.000 0.648 1260 V HN 0.428 nan 8.190 nan 0.000 0.447 1261 N N 0.354 118.700 118.700 -0.590 0.000 2.061 1261 N HA -0.227 4.516 4.740 0.005 0.000 0.193 1261 N C 1.693 177.107 175.510 -0.160 0.000 1.030 1261 N CA 1.838 54.704 53.050 -0.307 0.000 0.856 1261 N CB -0.367 38.156 38.487 0.060 0.000 1.023 1261 N HN 0.381 nan 8.380 nan 0.000 0.424 1262 L N 0.080 121.228 121.223 -0.125 0.000 2.079 1262 L HA -0.025 4.319 4.340 0.005 0.000 0.210 1262 L C 1.570 178.376 176.870 -0.107 0.000 1.081 1262 L CA 1.578 56.365 54.840 -0.087 0.000 0.752 1262 L CB -0.222 41.795 42.059 -0.071 0.000 0.896 1262 L HN 0.323 nan 8.230 nan 0.000 0.433 1263 L N -0.791 120.336 121.223 -0.161 0.000 2.585 1263 L HA 0.030 4.374 4.340 0.005 0.000 0.226 1263 L C 2.247 178.993 176.870 -0.207 0.000 1.113 1263 L CA 0.384 55.123 54.840 -0.169 0.000 0.876 1263 L CB -0.462 41.490 42.059 -0.178 0.000 1.072 1263 L HN 0.310 nan 8.230 nan 0.000 0.468 1264 K N -0.487 119.786 120.400 -0.212 0.000 2.280 1264 K HA -0.156 4.167 4.320 0.005 0.000 0.202 1264 K C 0.761 177.326 176.600 -0.058 0.000 1.047 1264 K CA 1.452 57.641 56.287 -0.163 0.000 0.942 1264 K CB -0.064 32.389 32.500 -0.078 0.000 0.739 1264 K HN 0.197 nan 8.250 nan 0.000 0.457 1265 D N 1.139 121.509 120.400 -0.049 0.000 2.339 1265 D HA -0.005 4.638 4.640 0.005 0.000 0.217 1265 D C 0.011 176.283 176.300 -0.046 0.000 1.050 1265 D CA 0.485 54.471 54.000 -0.024 0.000 0.856 1265 D CB 0.325 41.119 40.800 -0.010 0.000 0.922 1265 D HN 0.296 nan 8.370 nan 0.000 0.518 1266 D N 0.700 121.053 120.400 -0.080 0.000 2.670 1266 D HA 0.189 4.833 4.640 0.005 0.000 0.255 1266 D C 0.367 176.613 176.300 -0.091 0.000 1.286 1266 D CA 0.017 53.972 54.000 -0.076 0.000 0.830 1266 D CB 1.321 42.076 40.800 -0.074 0.000 1.065 1266 D HN 0.136 nan 8.370 nan 0.000 0.486 1267 L N -0.414 120.751 121.223 -0.097 0.000 2.279 1267 L HA 0.315 4.658 4.340 0.005 0.000 0.262 1267 L C 0.560 177.444 176.870 0.023 0.000 1.019 1267 L CA -1.067 53.719 54.840 -0.090 0.000 0.823 1267 L CB 2.194 44.078 42.059 -0.292 0.000 1.358 1267 L HN 0.071 nan 8.230 nan 0.000 0.432 1268 H N 1.949 121.031 119.070 0.019 0.000 2.972 1268 H HA 0.019 4.577 4.556 0.004 0.000 0.343 1268 H C -1.894 173.486 175.328 0.087 0.000 1.054 1268 H CA -0.784 55.302 56.048 0.063 0.000 1.412 1268 H CB 1.630 31.451 29.762 0.099 0.000 1.385 1268 H HN 0.282 nan 8.280 nan 0.000 0.600 1269 P HA -0.157 nan 4.420 nan 0.000 0.221 1269 P C 1.400 178.747 177.300 0.078 0.000 1.145 1269 P CA 1.637 64.676 63.100 -0.101 0.000 0.795 1269 P CB 0.081 31.662 31.700 -0.199 0.000 0.775 1270 S N -2.164 113.726 115.700 0.316 0.000 2.481 1270 S HA -0.121 4.352 4.470 0.005 0.000 0.231 1270 S C 1.784 176.491 174.600 0.178 0.000 0.996 1270 S CA 0.088 58.438 58.200 0.250 0.000 0.942 1270 S CB -1.588 61.783 63.200 0.286 0.000 0.768 1270 S HN 0.023 nan 8.310 nan 0.000 0.520 1271 F N 3.995 124.018 119.950 0.122 0.000 2.065 1271 F HA 0.002 4.540 4.527 0.019 0.000 0.298 1271 F C -1.066 174.780 175.800 0.077 0.000 1.112 1271 F CA 1.421 59.500 58.000 0.132 0.000 1.212 1271 F CB -1.220 37.875 39.000 0.159 0.000 0.975 1271 F HN 0.220 nan 8.300 nan 0.000 0.476 1272 P HA -0.161 nan 4.420 nan 0.000 0.220 1272 P C 0.900 178.141 177.300 -0.100 0.000 1.148 1272 P CA 1.799 64.731 63.100 -0.280 0.000 0.803 1272 P CB -0.142 31.289 31.700 -0.447 0.000 0.782 1273 E N -0.819 119.331 120.200 -0.083 0.000 2.285 1273 E HA -0.057 4.296 4.350 0.005 0.000 0.194 1273 E C 1.544 178.062 176.600 -0.137 0.000 0.997 1273 E CA 1.168 57.519 56.400 -0.082 0.000 0.845 1273 E CB -0.095 29.567 29.700 -0.062 0.000 0.782 1273 E HN 0.254 nan 8.360 nan 0.000 0.491 1274 V N -2.024 117.756 119.914 -0.223 0.000 3.562 1274 V HA 0.146 4.270 4.120 0.005 0.000 0.270 1274 V C 0.835 176.751 176.094 -0.298 0.000 1.418 1274 V CA -0.159 61.926 62.300 -0.359 0.000 1.033 1274 V CB 0.432 31.774 31.823 -0.800 0.000 0.820 1274 V HN 0.096 nan 8.190 nan 0.000 0.441 1275 S N 0.304 115.833 115.700 -0.286 0.000 2.579 1275 S HA 0.272 4.745 4.470 0.005 0.000 0.275 1275 S C 0.711 175.353 174.600 0.069 0.000 1.345 1275 S CA 0.197 58.272 58.200 -0.209 0.000 1.031 1275 S CB 0.771 63.668 63.200 -0.505 0.000 0.892 1275 S HN 0.501 nan 8.310 nan 0.000 0.529 1276 F N 3.107 123.103 119.950 0.077 0.000 2.146 1276 F HA 0.024 4.549 4.527 -0.003 0.000 0.298 1276 F C 1.623 177.522 175.800 0.164 0.000 1.096 1276 F CA 0.973 59.058 58.000 0.143 0.000 1.275 1276 F CB -0.662 38.480 39.000 0.237 0.000 1.008 1276 F HN 0.765 nan 8.300 nan 0.000 0.480 1277 F N 1.020 120.879 119.950 -0.151 0.000 2.087 1277 F HA -0.295 4.232 4.527 0.001 0.000 0.299 1277 F C 2.092 177.665 175.800 -0.378 0.000 1.100 1277 F CA 2.453 60.269 58.000 -0.307 0.000 1.226 1277 F CB -0.698 38.232 39.000 -0.117 0.000 0.983 1277 F HN 0.084 nan 8.300 nan 0.000 0.479 1278 H N -0.784 118.295 119.070 0.015 0.000 2.533 1278 H HA 0.180 4.738 4.556 0.003 0.000 0.271 1278 H C 0.939 176.191 175.328 -0.126 0.000 1.000 1278 H CA 0.243 56.260 56.048 -0.051 0.000 1.149 1278 H CB -0.243 29.589 29.762 0.117 0.000 1.375 1278 H HN 0.134 nan 8.280 nan 0.000 0.582 1279 S N -0.237 115.399 115.700 -0.106 0.000 2.632 1279 S HA 0.273 4.747 4.470 0.005 0.000 0.267 1279 S C 1.674 176.204 174.600 -0.116 0.000 1.276 1279 S CA -0.114 58.042 58.200 -0.074 0.000 0.998 1279 S CB 1.463 64.652 63.200 -0.018 0.000 0.953 1279 S HN 0.485 nan 8.310 nan 0.000 0.547 1280 E N 0.186 120.359 120.200 -0.046 0.000 2.204 1280 E HA -0.133 4.221 4.350 0.005 0.000 0.195 1280 E C 1.701 178.283 176.600 -0.030 0.000 0.990 1280 E CA 1.514 57.891 56.400 -0.039 0.000 0.821 1280 E CB -0.976 28.721 29.700 -0.005 0.000 0.750 1280 E HN 0.917 nan 8.360 nan 0.000 0.477 1281 E N 0.259 120.466 120.200 0.012 0.000 2.268 1281 E HA -0.129 4.224 4.350 0.005 0.000 0.195 1281 E C 0.696 177.320 176.600 0.040 0.000 0.995 1281 E CA 0.429 56.891 56.400 0.103 0.000 0.836 1281 E CB -0.077 29.796 29.700 0.287 0.000 0.763 1281 E HN 0.383 nan 8.360 nan 0.000 0.491 1282 N N 0.882 119.424 118.700 -0.264 0.000 2.671 1282 N HA 0.045 4.788 4.740 0.005 0.000 0.274 1282 N C -0.873 174.505 175.510 -0.219 0.000 1.188 1282 N CA 0.261 53.034 53.050 -0.462 0.000 1.065 1282 N CB 0.134 38.063 38.487 -0.930 0.000 1.415 1282 N HN 0.102 nan 8.380 nan 0.000 0.511 1283 K N 0.000 120.359 120.400 -0.068 0.000 2.780 1283 K HA 0.000 4.323 4.320 0.005 0.000 0.191 1283 K CA 0.000 56.261 56.287 -0.043 0.000 0.838 1283 K CB 0.000 32.493 32.500 -0.012 0.000 1.064 1283 K HN 0.000 nan 8.250 nan 0.000 0.543