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 3bu5_1_A DATA FIRST_RESID 987 DATA SEQUENCE DEWEVSREKI TLLRELGQXX XGMVYEGNAR 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 0.000 176.329 176.300 0.048 0.000 2.045 987 D CA 0.000 54.049 54.000 0.082 0.000 0.868 987 D CB 0.000 40.855 40.800 0.091 0.000 0.688 988 E N -0.438 119.767 120.200 0.009 0.000 2.409 988 E HA 0.106 4.459 4.350 0.004 0.000 0.198 988 E C 1.353 177.784 176.600 -0.282 0.000 1.024 988 E CA 1.012 57.316 56.400 -0.160 0.000 0.861 988 E CB -0.644 28.902 29.700 -0.257 0.000 0.788 988 E HN 0.832 nan 8.360 nan 0.000 0.521 989 W N 0.032 121.313 121.300 -0.032 0.000 3.211 989 W HA 0.325 4.986 4.660 0.001 0.000 0.292 989 W C 0.785 177.286 176.519 -0.030 0.000 1.268 989 W CA -0.213 57.110 57.345 -0.037 0.000 1.702 989 W CB 0.682 30.111 29.460 -0.052 0.000 1.092 989 W HN 0.112 nan 8.180 nan 0.000 0.643 990 E N 1.047 121.334 120.200 0.145 0.000 2.376 990 E HA 0.208 4.560 4.350 0.004 0.000 0.266 990 E C -0.611 176.021 176.600 0.053 0.000 1.009 990 E CA 0.211 56.664 56.400 0.089 0.000 0.902 990 E CB 0.645 30.380 29.700 0.058 0.000 0.972 990 E HN -0.226 nan 8.360 nan 0.000 0.439 991 V N 3.810 123.756 119.914 0.053 0.000 2.604 991 V HA 0.272 4.395 4.120 0.004 0.000 0.305 991 V C 0.034 176.142 176.094 0.023 0.000 1.043 991 V CA -0.941 61.379 62.300 0.033 0.000 0.888 991 V CB 2.026 33.873 31.823 0.040 0.000 0.995 991 V HN 0.704 nan 8.190 nan 0.000 0.429 992 S N 2.680 118.387 115.700 0.012 0.000 2.525 992 S HA 0.097 4.569 4.470 0.004 0.000 0.285 992 S C 1.312 175.915 174.600 0.006 0.000 1.283 992 S CA -0.065 58.139 58.200 0.007 0.000 1.072 992 S CB 0.141 63.342 63.200 0.000 0.000 0.867 992 S HN 0.760 nan 8.310 nan 0.000 0.492 993 R N 2.901 123.404 120.500 0.005 0.000 2.120 993 R HA -0.156 4.186 4.340 0.004 0.000 0.234 993 R C 1.726 178.022 176.300 -0.006 0.000 1.123 993 R CA 2.126 58.227 56.100 0.001 0.000 0.975 993 R CB -0.184 30.116 30.300 -0.001 0.000 0.866 993 R HN 0.846 nan 8.270 nan 0.000 0.446 994 E N 0.343 120.539 120.200 -0.007 0.000 2.333 994 E HA -0.170 4.182 4.350 0.004 0.000 0.198 994 E C 1.202 177.796 176.600 -0.010 0.000 1.007 994 E CA 1.260 57.654 56.400 -0.010 0.000 0.845 994 E CB -0.069 29.626 29.700 -0.009 0.000 0.766 994 E HN 0.331 nan 8.360 nan 0.000 0.507 995 K N 0.178 120.574 120.400 -0.007 0.000 2.365 995 K HA 0.084 4.407 4.320 0.004 0.000 0.197 995 K C 0.020 176.616 176.600 -0.006 0.000 1.042 995 K CA 0.148 56.431 56.287 -0.006 0.000 0.987 995 K CB 0.284 32.783 32.500 -0.003 0.000 0.779 995 K HN 0.178 nan 8.250 nan 0.000 0.484 996 I N 1.973 122.537 120.570 -0.009 0.000 2.331 996 I HA 0.118 4.290 4.170 0.004 0.000 0.292 996 I C -0.049 176.052 176.117 -0.027 0.000 0.998 996 I CA -0.038 61.255 61.300 -0.013 0.000 1.267 996 I CB 1.188 39.182 38.000 -0.011 0.000 1.386 996 I HN -0.157 nan 8.210 nan 0.000 0.476 997 T N 6.975 121.513 114.554 -0.026 0.000 2.809 997 T HA 0.517 4.869 4.350 0.004 0.000 0.284 997 T C -0.147 174.527 174.700 -0.043 0.000 0.992 997 T CA -0.531 61.547 62.100 -0.037 0.000 0.957 997 T CB 1.451 70.304 68.868 -0.025 0.000 0.942 997 T HN 0.101 nan 8.240 nan 0.000 0.439 998 L N 3.836 125.009 121.223 -0.083 0.000 2.331 998 L HA 0.399 4.742 4.340 0.004 0.000 0.278 998 L C 1.000 177.850 176.870 -0.034 0.000 1.106 998 L CA 0.243 55.023 54.840 -0.098 0.000 0.824 998 L CB 0.431 42.313 42.059 -0.295 0.000 1.142 998 L HN 0.673 nan 8.230 nan 0.000 0.443 999 L N 2.762 124.000 121.223 0.024 0.000 2.515 999 L HA 0.361 4.704 4.340 0.004 0.000 0.202 999 L C 0.595 177.505 176.870 0.066 0.000 1.056 999 L CA 0.001 54.861 54.840 0.034 0.000 0.847 999 L CB 0.097 42.172 42.059 0.027 0.000 1.131 999 L HN 0.696 nan 8.230 nan 0.000 0.484 1000 R N -0.251 120.317 120.500 0.113 0.000 2.752 1000 R HA 0.424 4.766 4.340 0.004 0.000 0.271 1000 R C -1.281 175.135 176.300 0.194 0.000 1.026 1000 R CA -0.836 55.342 56.100 0.130 0.000 0.901 1000 R CB 1.250 31.591 30.300 0.068 0.000 1.243 1000 R HN -0.166 nan 8.270 nan 0.000 0.463 1001 E N 0.876 121.141 120.200 0.108 0.000 2.289 1001 E HA 0.143 4.496 4.350 0.004 0.000 0.278 1001 E C 0.110 176.678 176.600 -0.053 0.000 1.032 1001 E CA -0.197 56.170 56.400 -0.055 0.000 0.854 1001 E CB 1.475 31.113 29.700 -0.103 0.000 1.046 1001 E HN 0.416 nan 8.360 nan 0.000 0.409 1002 L N 1.543 122.709 121.223 -0.096 0.000 2.286 1002 L HA 0.261 4.604 4.340 0.004 0.000 0.203 1002 L C 0.902 177.737 176.870 -0.060 0.000 1.068 1002 L CA 0.336 55.147 54.840 -0.049 0.000 0.811 1002 L CB 0.496 42.540 42.059 -0.024 0.000 0.989 1002 L HN 0.620 nan 8.230 nan 0.000 0.467 1003 G N -0.762 107.976 108.800 -0.104 0.000 2.716 1003 G HA2 0.367 4.330 3.960 0.004 0.000 0.299 1003 G HA3 0.367 4.330 3.960 0.004 0.000 0.299 1003 G C -1.782 173.053 174.900 -0.109 0.000 1.450 1003 G CA -0.451 44.602 45.100 -0.079 0.000 0.968 1003 G HN -0.185 nan 8.290 nan 0.000 0.566 1009 M N 2.855 122.389 119.600 -0.110 0.000 2.188 1009 M HA 0.516 4.998 4.480 0.004 0.000 0.354 1009 M C -0.110 176.005 176.300 -0.308 0.000 1.342 1009 M CA -0.529 54.600 55.300 -0.284 0.000 1.117 1009 M CB 1.045 33.365 32.600 -0.467 0.000 1.670 1009 M HN 0.250 nan 8.290 nan 0.000 0.466 1010 V N 7.523 127.268 119.914 -0.282 0.000 2.465 1010 V HA 0.308 4.430 4.120 0.004 0.000 0.279 1010 V C -0.738 175.170 176.094 -0.310 0.000 1.045 1010 V CA -0.339 61.867 62.300 -0.157 0.000 0.938 1010 V CB 0.227 32.019 31.823 -0.052 0.000 0.986 1010 V HN 0.741 nan 8.190 nan 0.000 0.467 1011 Y N 1.652 121.968 120.300 0.025 0.000 2.509 1011 Y HA 0.459 5.011 4.550 0.002 0.000 0.341 1011 Y C 0.356 176.265 175.900 0.014 0.000 1.038 1011 Y CA -0.893 57.217 58.100 0.017 0.000 1.089 1011 Y CB 1.502 39.971 38.460 0.015 0.000 1.241 1011 Y HN 0.616 nan 8.280 nan 0.000 0.468 1012 E N 1.054 121.357 120.200 0.172 0.000 2.259 1012 E HA 0.543 4.896 4.350 0.004 0.000 0.281 1012 E C -0.422 176.240 176.600 0.103 0.000 1.027 1012 E CA -0.271 56.190 56.400 0.102 0.000 0.838 1012 E CB 0.685 30.419 29.700 0.056 0.000 1.066 1012 E HN 0.872 nan 8.360 nan 0.000 0.401 1013 G N 3.118 111.958 108.800 0.066 0.000 2.733 1013 G HA2 0.284 4.246 3.960 0.004 0.000 0.288 1013 G HA3 0.284 4.246 3.960 0.004 0.000 0.288 1013 G C -1.066 173.844 174.900 0.017 0.000 1.373 1013 G CA -0.688 44.433 45.100 0.036 0.000 0.895 1013 G HN 0.524 nan 8.290 nan 0.000 0.479 1014 N N -0.118 118.585 118.700 0.004 0.000 2.400 1014 N HA 0.635 5.378 4.740 0.004 0.000 0.288 1014 N C -0.681 174.828 175.510 -0.001 0.000 1.024 1014 N CA -0.196 52.853 53.050 -0.001 0.000 0.894 1014 N CB 1.977 40.460 38.487 -0.007 0.000 1.173 1014 N HN 0.707 nan 8.380 nan 0.000 0.487 1015 A N 2.909 125.730 122.820 0.000 0.000 2.311 1015 A HA 0.478 4.801 4.320 0.004 0.000 0.306 1015 A C -0.001 177.581 177.584 -0.003 0.000 1.189 1015 A CA -0.686 51.352 52.037 0.002 0.000 0.791 1015 A CB 0.805 19.811 19.000 0.011 0.000 1.172 1015 A HN 0.563 nan 8.150 nan 0.000 0.481 1016 R N 2.338 122.835 120.500 -0.005 0.000 2.340 1016 R HA 0.294 4.636 4.340 0.004 0.000 0.300 1016 R C -0.680 175.615 176.300 -0.008 0.000 1.069 1016 R CA -0.155 55.940 56.100 -0.008 0.000 0.984 1016 R CB 0.342 30.637 30.300 -0.009 0.000 1.003 1016 R HN 0.807 nan 8.270 nan 0.000 0.459 1017 D N 2.009 122.403 120.400 -0.011 0.000 2.772 1017 D HA -0.235 4.407 4.640 0.004 0.000 0.233 1017 D C 0.361 176.652 176.300 -0.015 0.000 1.143 1017 D CA 0.832 54.824 54.000 -0.014 0.000 0.700 1017 D CB -0.636 40.155 40.800 -0.015 0.000 1.076 1017 D HN 0.611 nan 8.370 nan 0.000 0.430 1018 I N -0.518 120.045 120.570 -0.011 0.000 3.526 1018 I HA 0.101 4.273 4.170 0.004 0.000 0.294 1018 I C 0.657 176.764 176.117 -0.016 0.000 1.229 1018 I CA 0.409 61.703 61.300 -0.009 0.000 1.408 1018 I CB 0.592 38.597 38.000 0.007 0.000 1.127 1018 I HN -0.047 nan 8.210 nan 0.000 0.439 1019 I N 1.722 122.282 120.570 -0.016 0.000 2.418 1019 I HA 0.183 4.355 4.170 0.004 0.000 0.287 1019 I C -0.044 176.059 176.117 -0.023 0.000 1.008 1019 I CA -0.697 60.591 61.300 -0.019 0.000 1.104 1019 I CB 1.535 39.528 38.000 -0.012 0.000 1.264 1019 I HN -0.079 nan 8.210 nan 0.000 0.438 1020 K N 4.797 125.179 120.400 -0.029 0.000 2.491 1020 K HA 0.069 4.392 4.320 0.004 0.000 0.279 1020 K C 1.021 177.608 176.600 -0.021 0.000 1.026 1020 K CA 1.351 57.622 56.287 -0.027 0.000 1.070 1020 K CB 0.229 32.710 32.500 -0.032 0.000 0.887 1020 K HN 0.981 nan 8.250 nan 0.000 0.481 1021 G N 3.180 111.968 108.800 -0.019 0.000 2.157 1021 G HA2 -0.236 3.726 3.960 0.004 0.000 0.248 1021 G HA3 -0.236 3.726 3.960 0.004 0.000 0.248 1021 G C -0.444 174.447 174.900 -0.016 0.000 0.979 1021 G CA 0.185 45.275 45.100 -0.016 0.000 0.650 1021 G HN 0.657 nan 8.290 nan 0.000 0.529 1022 E N -0.567 119.622 120.200 -0.018 0.000 2.265 1022 E HA 0.606 4.958 4.350 0.004 0.000 0.262 1022 E C 0.946 177.536 176.600 -0.017 0.000 0.889 1022 E CA -0.171 56.218 56.400 -0.018 0.000 0.789 1022 E CB 1.516 31.203 29.700 -0.020 0.000 1.221 1022 E HN 0.386 nan 8.360 nan 0.000 0.414 1023 A N 3.408 126.218 122.820 -0.016 0.000 1.969 1023 A HA -0.106 4.216 4.320 0.004 0.000 0.218 1023 A C 0.771 178.347 177.584 -0.014 0.000 1.169 1023 A CA 1.309 53.337 52.037 -0.014 0.000 0.635 1023 A CB 0.164 19.157 19.000 -0.013 0.000 0.810 1023 A HN 0.591 nan 8.150 nan 0.000 0.445 1024 E N -1.316 118.876 120.200 -0.015 0.000 2.321 1024 E HA 0.432 4.784 4.350 0.004 0.000 0.281 1024 E C -1.642 174.948 176.600 -0.017 0.000 0.910 1024 E CA -0.378 56.014 56.400 -0.014 0.000 0.770 1024 E CB 1.660 31.352 29.700 -0.013 0.000 1.225 1024 E HN 0.121 nan 8.360 nan 0.000 0.417 1025 T N 2.717 117.263 114.554 -0.014 0.000 2.841 1025 T HA 0.387 4.740 4.350 0.004 0.000 0.283 1025 T C -0.513 174.179 174.700 -0.014 0.000 1.000 1025 T CA -0.724 61.366 62.100 -0.017 0.000 0.977 1025 T CB 1.184 70.044 68.868 -0.013 0.000 0.979 1025 T HN 0.295 nan 8.240 nan 0.000 0.446 1026 R N 2.518 123.005 120.500 -0.022 0.000 2.347 1026 R HA 0.487 4.830 4.340 0.004 0.000 0.304 1026 R C -0.325 175.970 176.300 -0.008 0.000 1.072 1026 R CA -0.158 55.932 56.100 -0.016 0.000 0.980 1026 R CB -0.222 30.061 30.300 -0.029 0.000 0.986 1026 R HN 0.581 nan 8.270 nan 0.000 0.448 1027 V N 0.598 120.517 119.914 0.008 0.000 3.141 1027 V HA 0.945 5.068 4.120 0.004 0.000 0.312 1027 V C -0.601 175.515 176.094 0.036 0.000 1.157 1027 V CA -1.158 61.155 62.300 0.021 0.000 1.041 1027 V CB 1.957 33.798 31.823 0.030 0.000 1.071 1027 V HN 0.785 nan 8.190 nan 0.000 0.441 1028 A N 1.107 123.954 122.820 0.045 0.000 2.312 1028 A HA 0.861 5.183 4.320 0.004 0.000 0.326 1028 A C -0.609 177.029 177.584 0.090 0.000 1.172 1028 A CA -0.649 51.428 52.037 0.066 0.000 0.821 1028 A CB 1.359 20.390 19.000 0.051 0.000 1.166 1028 A HN 1.450 nan 8.150 nan 0.000 0.493 1029 V N 2.733 122.730 119.914 0.137 0.000 2.409 1029 V HA 0.355 4.478 4.120 0.004 0.000 0.290 1029 V C -0.033 176.201 176.094 0.234 0.000 1.017 1029 V CA -0.621 61.780 62.300 0.168 0.000 0.841 1029 V CB 1.310 33.225 31.823 0.154 0.000 1.003 1029 V HN 0.938 nan 8.190 nan 0.000 0.426 1030 K N 3.102 123.630 120.400 0.214 0.000 2.156 1030 K HA 0.751 5.073 4.320 0.004 0.000 0.271 1030 K C 0.050 176.887 176.600 0.395 0.000 0.995 1030 K CA -0.202 56.248 56.287 0.271 0.000 0.890 1030 K CB 1.489 34.138 32.500 0.248 0.000 1.073 1030 K HN 0.933 nan 8.250 nan 0.000 0.454 1031 T N -1.178 113.534 114.554 0.262 0.000 2.838 1031 T HA 0.533 4.886 4.350 0.004 0.000 0.292 1031 T C -0.739 173.731 174.700 -0.384 0.000 1.113 1031 T CA -0.912 61.206 62.100 0.030 0.000 1.008 1031 T CB 1.284 70.227 68.868 0.126 0.000 1.259 1031 T HN 0.160 nan 8.240 nan 0.000 0.520 1032 V N 2.134 121.675 119.914 -0.622 0.000 2.483 1032 V HA 0.458 4.580 4.120 0.004 0.000 0.295 1032 V C 0.525 176.462 176.094 -0.262 0.000 1.035 1032 V CA -1.290 60.646 62.300 -0.607 0.000 0.896 1032 V CB 1.157 32.538 31.823 -0.737 0.000 0.986 1032 V HN 0.907 nan 8.190 nan 0.000 0.447 1033 N N 3.032 121.625 118.700 -0.179 0.000 2.283 1033 N HA 0.028 4.770 4.740 0.004 0.000 0.236 1033 N C 1.422 176.879 175.510 -0.088 0.000 1.252 1033 N CA 0.843 53.834 53.050 -0.099 0.000 0.856 1033 N CB 0.925 39.368 38.487 -0.074 0.000 1.099 1033 N HN 0.938 nan 8.380 nan 0.000 0.444 1034 E N 0.303 120.470 120.200 -0.054 0.000 2.204 1034 E HA -0.124 4.228 4.350 0.004 0.000 0.194 1034 E C 1.500 178.076 176.600 -0.039 0.000 0.989 1034 E CA 1.540 57.914 56.400 -0.043 0.000 0.824 1034 E CB -0.451 29.233 29.700 -0.026 0.000 0.756 1034 E HN 0.647 nan 8.360 nan 0.000 0.477 1035 S N -0.907 114.771 115.700 -0.037 0.000 2.572 1035 S HA 0.645 5.117 4.470 0.004 0.000 0.228 1035 S C 1.070 175.651 174.600 -0.032 0.000 0.963 1035 S CA 0.271 58.454 58.200 -0.029 0.000 0.939 1035 S CB 0.039 63.226 63.200 -0.021 0.000 0.804 1035 S HN 0.806 nan 8.310 nan 0.000 0.480 1036 A N 2.644 125.436 122.820 -0.047 0.000 2.520 1036 A HA 0.524 4.846 4.320 0.004 0.000 0.245 1036 A C 0.893 178.459 177.584 -0.031 0.000 1.072 1036 A CA -0.026 51.982 52.037 -0.047 0.000 0.761 1036 A CB -0.156 18.797 19.000 -0.079 0.000 1.004 1036 A HN 0.854 nan 8.150 nan 0.000 0.499 1037 S N 2.223 117.911 115.700 -0.020 0.000 2.587 1037 S HA 0.120 4.592 4.470 0.004 0.000 0.260 1037 S C 1.117 175.713 174.600 -0.007 0.000 1.353 1037 S CA 0.200 58.393 58.200 -0.011 0.000 0.995 1037 S CB 0.258 63.455 63.200 -0.005 0.000 0.912 1037 S HN 1.330 nan 8.310 nan 0.000 0.568 1038 L N 0.979 122.201 121.223 -0.002 0.000 2.083 1038 L HA -0.006 4.336 4.340 0.004 0.000 0.209 1038 L C 2.741 179.617 176.870 0.010 0.000 1.083 1038 L CA 1.976 56.818 54.840 0.003 0.000 0.752 1038 L CB -0.966 41.095 42.059 0.004 0.000 0.899 1038 L HN 0.915 nan 8.230 nan 0.000 0.433 1039 R N -0.359 120.146 120.500 0.009 0.000 2.083 1039 R HA -0.205 4.137 4.340 0.004 0.000 0.237 1039 R C 2.184 178.497 176.300 0.020 0.000 1.137 1039 R CA 2.092 58.200 56.100 0.012 0.000 0.951 1039 R CB -0.250 30.055 30.300 0.008 0.000 0.851 1039 R HN 0.554 nan 8.270 nan 0.000 0.434 1040 E N -0.243 119.967 120.200 0.016 0.000 2.077 1040 E HA -0.199 4.153 4.350 0.004 0.000 0.193 1040 E C 2.198 178.828 176.600 0.050 0.000 0.989 1040 E CA 1.380 57.795 56.400 0.025 0.000 0.800 1040 E CB -0.035 29.665 29.700 0.001 0.000 0.746 1040 E HN 0.374 nan 8.360 nan 0.000 0.452 1041 R N 0.408 120.925 120.500 0.029 0.000 2.091 1041 R HA -0.125 4.217 4.340 0.004 0.000 0.238 1041 R C 2.398 178.764 176.300 0.110 0.000 1.136 1041 R CA 1.143 57.275 56.100 0.053 0.000 0.959 1041 R CB -0.434 29.875 30.300 0.015 0.000 0.856 1041 R HN 0.213 nan 8.270 nan 0.000 0.437 1042 I N 1.081 121.691 120.570 0.067 0.000 2.202 1042 I HA -0.237 3.935 4.170 0.004 0.000 0.242 1042 I C 2.208 178.359 176.117 0.056 0.000 1.091 1042 I CA 1.445 62.777 61.300 0.053 0.000 1.368 1042 I CB -0.226 37.790 38.000 0.027 0.000 1.058 1042 I HN 0.187 nan 8.210 nan 0.000 0.410 1043 E N 0.285 120.520 120.200 0.058 0.000 2.085 1043 E HA -0.277 4.075 4.350 0.004 0.000 0.194 1043 E C 2.057 178.700 176.600 0.072 0.000 0.994 1043 E CA 1.544 57.971 56.400 0.046 0.000 0.801 1043 E CB -0.226 29.497 29.700 0.038 0.000 0.743 1043 E HN 0.443 nan 8.360 nan 0.000 0.453 1044 F N 1.256 121.187 119.950 -0.031 0.000 2.134 1044 F HA -0.188 4.342 4.527 0.006 0.000 0.299 1044 F C 1.839 177.612 175.800 -0.044 0.000 1.097 1044 F CA 1.312 59.294 58.000 -0.032 0.000 1.264 1044 F CB -0.058 38.930 39.000 -0.021 0.000 1.001 1044 F HN -0.084 nan 8.300 nan 0.000 0.479 1045 L N 0.120 121.356 121.223 0.022 0.000 2.093 1045 L HA -0.211 4.131 4.340 0.004 0.000 0.208 1045 L C 2.228 178.997 176.870 -0.168 0.000 1.085 1045 L CA 0.997 55.771 54.840 -0.111 0.000 0.755 1045 L CB -0.869 41.200 42.059 0.017 0.000 0.904 1045 L HN 0.155 nan 8.230 nan 0.000 0.435 1046 N N 0.085 118.721 118.700 -0.107 0.000 2.120 1046 N HA -0.225 4.517 4.740 0.004 0.000 0.188 1046 N C 1.747 177.146 175.510 -0.184 0.000 1.024 1046 N CA 1.228 54.207 53.050 -0.118 0.000 0.852 1046 N CB -0.148 38.302 38.487 -0.061 0.000 1.003 1046 N HN 0.384 nan 8.380 nan 0.000 0.424 1047 E N 0.619 120.708 120.200 -0.184 0.000 2.058 1047 E HA -0.176 4.177 4.350 0.004 0.000 0.194 1047 E C 1.776 178.187 176.600 -0.315 0.000 0.997 1047 E CA 1.331 57.610 56.400 -0.202 0.000 0.801 1047 E CB -0.048 29.562 29.700 -0.149 0.000 0.746 1047 E HN 0.332 nan 8.360 nan 0.000 0.450 1048 A N 0.539 123.111 122.820 -0.413 0.000 1.877 1048 A HA -0.204 4.118 4.320 0.004 0.000 0.216 1048 A C 2.343 179.641 177.584 -0.476 0.000 1.186 1048 A CA 2.005 53.768 52.037 -0.457 0.000 0.620 1048 A CB -0.958 17.740 19.000 -0.504 0.000 0.822 1048 A HN 0.383 nan 8.150 nan 0.000 0.443 1049 S N -0.572 114.888 115.700 -0.401 0.000 2.359 1049 S HA -0.152 4.321 4.470 0.004 0.000 0.224 1049 S C 1.917 176.220 174.600 -0.495 0.000 1.035 1049 S CA 1.779 59.744 58.200 -0.393 0.000 1.018 1049 S CB -0.659 62.389 63.200 -0.253 0.000 0.876 1049 S HN 0.301 nan 8.310 nan 0.000 0.448 1050 V N 2.083 121.693 119.914 -0.506 0.000 2.324 1050 V HA -0.234 3.888 4.120 0.004 0.000 0.250 1050 V C 2.540 177.869 176.094 -1.276 0.000 1.060 1050 V CA 2.425 64.260 62.300 -0.775 0.000 1.042 1050 V CB -0.611 30.837 31.823 -0.624 0.000 0.650 1050 V HN 0.585 nan 8.190 nan 0.000 0.450 1051 M N -1.135 117.872 119.600 -0.987 0.000 2.279 1051 M HA -0.190 4.292 4.480 0.004 0.000 0.264 1051 M C 2.083 177.856 176.300 -0.877 0.000 1.062 1051 M CA 1.546 56.272 55.300 -0.955 0.000 1.099 1051 M CB -0.424 31.851 32.600 -0.541 0.000 1.394 1051 M HN 0.263 nan 8.290 nan 0.000 0.426 1052 K N -0.128 119.724 120.400 -0.915 0.000 2.280 1052 K HA -0.077 4.246 4.320 0.004 0.000 0.202 1052 K C 1.806 178.175 176.600 -0.386 0.000 1.047 1052 K CA 1.109 56.820 56.287 -0.961 0.000 0.942 1052 K CB -0.256 31.624 32.500 -1.033 0.000 0.739 1052 K HN 0.435 nan 8.250 nan 0.000 0.457 1053 G N 0.194 108.693 108.800 -0.501 0.000 3.042 1053 G HA2 0.026 3.988 3.960 0.004 0.000 0.212 1053 G HA3 0.026 3.988 3.960 0.004 0.000 0.212 1053 G C -0.118 174.828 174.900 0.076 0.000 1.166 1053 G CA -0.246 44.735 45.100 -0.199 0.000 0.767 1053 G HN -0.020 nan 8.290 nan 0.000 0.546 1054 F N 1.177 121.096 119.950 -0.052 0.000 2.415 1054 F HA 0.544 5.069 4.527 -0.003 0.000 0.348 1054 F C 0.060 175.891 175.800 0.052 0.000 1.119 1054 F CA -1.542 56.495 58.000 0.061 0.000 1.069 1054 F CB 1.739 40.674 39.000 -0.107 0.000 1.124 1054 F HN -0.295 nan 8.300 nan 0.000 0.472 1055 T N 2.433 117.133 114.554 0.244 0.000 3.008 1055 T HA 0.440 4.792 4.350 0.004 0.000 0.328 1055 T C -1.229 173.254 174.700 -0.361 0.000 1.020 1055 T CA -0.506 61.599 62.100 0.008 0.000 1.043 1055 T CB 0.867 69.790 68.868 0.092 0.000 1.010 1055 T HN 0.762 nan 8.240 nan 0.000 0.466 1056 C N 2.995 122.056 119.300 -0.399 0.000 2.811 1056 C HA 0.461 4.924 4.460 0.004 0.000 0.352 1056 C C 1.453 176.295 174.990 -0.247 0.000 1.098 1056 C CA -0.518 58.193 59.018 -0.512 0.000 1.295 1056 C CB 0.609 27.746 27.740 -1.005 0.000 1.758 1056 C HN 1.123 nan 8.230 nan 0.000 0.488 1057 H N 1.521 120.395 119.070 -0.326 0.000 2.457 1057 H HA -0.045 4.501 4.556 -0.016 0.000 0.297 1057 H C 1.081 176.176 175.328 -0.388 0.000 1.092 1057 H CA 2.403 58.224 56.048 -0.378 0.000 1.309 1057 H CB 0.037 29.490 29.762 -0.515 0.000 1.382 1057 H HN 0.857 nan 8.280 nan 0.000 0.535 1058 H N -1.408 117.641 119.070 -0.036 0.000 2.507 1058 H HA 0.359 4.928 4.556 0.022 0.000 0.294 1058 H C -0.695 174.620 175.328 -0.021 0.000 1.064 1058 H CA -0.244 55.794 56.048 -0.017 0.000 1.138 1058 H CB 0.698 30.512 29.762 0.088 0.000 1.515 1058 H HN 0.008 nan 8.280 nan 0.000 0.547 1059 V N 1.298 121.216 119.914 0.007 0.000 2.709 1059 V HA 0.118 4.240 4.120 0.004 0.000 0.308 1059 V C 0.045 176.185 176.094 0.076 0.000 1.062 1059 V CA -1.165 61.186 62.300 0.084 0.000 0.901 1059 V CB 2.582 34.425 31.823 0.034 0.000 1.003 1059 V HN -0.007 nan 8.190 nan 0.000 0.425 1060 V N 4.824 124.838 119.914 0.166 0.000 2.557 1060 V HA 0.049 4.171 4.120 0.004 0.000 0.301 1060 V C 0.829 176.994 176.094 0.118 0.000 1.026 1060 V CA 0.310 62.688 62.300 0.129 0.000 1.137 1060 V CB 0.096 32.016 31.823 0.160 0.000 0.917 1060 V HN 0.806 nan 8.190 nan 0.000 0.484 1061 R N 3.937 124.475 120.500 0.062 0.000 2.298 1061 R HA 0.343 4.685 4.340 0.004 0.000 0.310 1061 R C -0.454 175.886 176.300 0.067 0.000 1.068 1061 R CA -0.815 55.324 56.100 0.065 0.000 0.957 1061 R CB 0.677 31.008 30.300 0.053 0.000 1.003 1061 R HN 0.614 nan 8.270 nan 0.000 0.454 1062 L N 5.430 126.679 121.223 0.044 0.000 2.410 1062 L HA 0.113 4.456 4.340 0.004 0.000 0.273 1062 L C 0.182 177.196 176.870 0.240 0.000 1.152 1062 L CA 0.610 55.463 54.840 0.022 0.000 0.855 1062 L CB 0.965 42.866 42.059 -0.263 0.000 1.129 1062 L HN 0.801 nan 8.230 nan 0.000 0.463 1063 L N 4.086 125.435 121.223 0.209 0.000 2.500 1063 L HA 0.536 4.878 4.340 0.004 0.000 0.219 1063 L C 0.875 177.914 176.870 0.282 0.000 1.057 1063 L CA 0.354 55.329 54.840 0.226 0.000 0.854 1063 L CB 0.078 42.203 42.059 0.110 0.000 1.078 1063 L HN 0.811 nan 8.230 nan 0.000 0.480 1064 G N -0.658 108.305 108.800 0.272 0.000 2.356 1064 G HA2 0.456 4.418 3.960 0.004 0.000 0.294 1064 G HA3 0.456 4.418 3.960 0.004 0.000 0.294 1064 G C -2.081 172.911 174.900 0.153 0.000 1.423 1064 G CA -0.452 44.814 45.100 0.276 0.000 0.806 1064 G HN -0.309 nan 8.290 nan 0.000 0.527 1065 V N -0.015 119.985 119.914 0.143 0.000 2.638 1065 V HA 0.550 4.673 4.120 0.004 0.000 0.306 1065 V C -0.191 175.947 176.094 0.072 0.000 1.052 1065 V CA -0.751 61.591 62.300 0.071 0.000 0.885 1065 V CB 1.833 33.669 31.823 0.022 0.000 0.999 1065 V HN 0.745 nan 8.190 nan 0.000 0.424 1066 V N 4.193 124.144 119.914 0.061 0.000 2.334 1066 V HA 0.328 4.451 4.120 0.004 0.000 0.267 1066 V C 0.947 177.074 176.094 0.055 0.000 1.040 1066 V CA 0.531 62.863 62.300 0.052 0.000 0.866 1066 V CB 0.960 32.809 31.823 0.043 0.000 1.019 1066 V HN 1.084 nan 8.190 nan 0.000 0.468 1067 S N 2.160 117.888 115.700 0.047 0.000 2.632 1067 S HA 0.247 4.719 4.470 0.004 0.000 0.237 1067 S C 0.865 175.485 174.600 0.034 0.000 1.037 1067 S CA 0.229 58.456 58.200 0.045 0.000 1.009 1067 S CB 0.098 63.322 63.200 0.040 0.000 0.974 1067 S HN 0.755 nan 8.310 nan 0.000 0.544 1068 K N 1.714 122.132 120.400 0.029 0.000 2.312 1068 K HA 0.662 4.984 4.320 0.004 0.000 0.287 1068 K C 1.074 177.684 176.600 0.017 0.000 1.062 1068 K CA 0.019 56.319 56.287 0.020 0.000 0.934 1068 K CB -0.858 31.652 32.500 0.017 0.000 1.027 1068 K HN 1.505 nan 8.250 nan 0.000 0.478 1069 G N 0.774 109.583 108.800 0.014 0.000 2.598 1069 G HA2 -0.004 3.958 3.960 0.004 0.000 0.244 1069 G HA3 -0.004 3.958 3.960 0.004 0.000 0.244 1069 G C -0.210 174.698 174.900 0.013 0.000 1.302 1069 G CA 0.658 45.764 45.100 0.010 0.000 0.903 1069 G HN 2.038 nan 8.290 nan 0.000 0.575 1070 Q N -0.437 119.367 119.800 0.007 0.000 2.416 1070 Q HA 0.797 5.140 4.340 0.004 0.000 0.281 1070 Q C -2.534 173.465 176.000 -0.003 0.000 1.067 1070 Q CA -1.157 54.649 55.803 0.006 0.000 0.809 1070 Q CB 2.064 30.803 28.738 0.002 0.000 1.418 1070 Q HN 0.759 nan 8.270 nan 0.000 0.411 1071 P HA 0.322 nan 4.420 nan 0.000 0.281 1071 P C -0.769 176.552 177.300 0.034 0.000 1.281 1071 P CA -0.483 62.619 63.100 0.003 0.000 0.811 1071 P CB 0.806 32.496 31.700 -0.017 0.000 1.154 1072 T N 1.101 115.696 114.554 0.068 0.000 2.799 1072 T HA 0.296 4.649 4.350 0.004 0.000 0.296 1072 T C 0.216 175.035 174.700 0.199 0.000 0.947 1072 T CA -0.037 62.150 62.100 0.145 0.000 1.141 1072 T CB -0.434 68.580 68.868 0.243 0.000 0.891 1072 T HN 0.156 nan 8.240 nan 0.000 0.533 1073 L N 3.830 125.143 121.223 0.150 0.000 2.296 1073 L HA 0.540 4.883 4.340 0.004 0.000 0.286 1073 L C -0.234 176.719 176.870 0.138 0.000 1.023 1073 L CA -1.107 53.826 54.840 0.156 0.000 0.812 1073 L CB 1.463 43.572 42.059 0.084 0.000 1.223 1073 L HN 0.297 nan 8.230 nan 0.000 0.421 1074 V N 4.585 124.594 119.914 0.159 0.000 2.318 1074 V HA 0.253 4.375 4.120 0.004 0.000 0.271 1074 V C 0.142 176.268 176.094 0.052 0.000 1.030 1074 V CA -0.529 61.790 62.300 0.032 0.000 0.844 1074 V CB 1.659 33.411 31.823 -0.119 0.000 1.015 1074 V HN 0.445 nan 8.190 nan 0.000 0.460 1075 V N 7.374 127.315 119.914 0.044 0.000 2.383 1075 V HA 0.601 4.723 4.120 0.004 0.000 0.275 1075 V C 0.143 176.269 176.094 0.054 0.000 1.036 1075 V CA -0.306 62.030 62.300 0.060 0.000 0.889 1075 V CB 1.148 33.011 31.823 0.066 0.000 0.985 1075 V HN 0.946 nan 8.190 nan 0.000 0.459 1076 M N 1.523 121.155 119.600 0.053 0.000 2.704 1076 M HA 0.671 5.154 4.480 0.004 0.000 0.284 1076 M C -0.341 175.986 176.300 0.046 0.000 1.275 1076 M CA -0.858 54.472 55.300 0.050 0.000 0.811 1076 M CB 1.993 34.619 32.600 0.044 0.000 1.741 1076 M HN 0.500 nan 8.290 nan 0.000 0.458 1077 E N 1.598 121.824 120.200 0.043 0.000 2.694 1077 E HA 0.050 4.403 4.350 0.004 0.000 0.250 1077 E C -1.242 175.372 176.600 0.022 0.000 0.963 1077 E CA -0.241 56.175 56.400 0.028 0.000 0.949 1077 E CB 0.558 30.272 29.700 0.023 0.000 0.911 1077 E HN 0.560 nan 8.360 nan 0.000 0.500 1078 L N 5.902 127.132 121.223 0.011 0.000 2.410 1078 L HA 0.123 4.465 4.340 0.004 0.000 0.273 1078 L C -0.555 176.311 176.870 -0.007 0.000 1.144 1078 L CA 0.371 55.212 54.840 0.002 0.000 0.863 1078 L CB 0.804 42.856 42.059 -0.011 0.000 1.140 1078 L HN 0.583 nan 8.230 nan 0.000 0.463 1079 M N 5.766 125.361 119.600 -0.008 0.000 2.047 1079 M HA 0.286 4.768 4.480 0.004 0.000 0.342 1079 M C 1.035 177.307 176.300 -0.047 0.000 1.058 1079 M CA -0.226 55.064 55.300 -0.016 0.000 0.991 1079 M CB 0.646 33.244 32.600 -0.003 0.000 1.474 1079 M HN 0.820 nan 8.290 nan 0.000 0.419 1080 A N 2.482 125.247 122.820 -0.092 0.000 2.019 1080 A HA -0.121 4.202 4.320 0.004 0.000 0.219 1080 A C 1.412 178.785 177.584 -0.352 0.000 1.164 1080 A CA 1.417 53.325 52.037 -0.216 0.000 0.644 1080 A CB -0.426 18.416 19.000 -0.264 0.000 0.805 1080 A HN 0.799 nan 8.150 nan 0.000 0.449 1081 H N -1.035 117.981 119.070 -0.089 0.000 2.520 1081 H HA 0.324 4.881 4.556 0.002 0.000 0.284 1081 H C 1.514 176.849 175.328 0.012 0.000 1.037 1081 H CA 0.478 56.497 56.048 -0.049 0.000 1.168 1081 H CB -0.133 29.526 29.762 -0.172 0.000 1.497 1081 H HN 0.619 nan 8.280 nan 0.000 0.547 1082 G N 2.047 110.884 108.800 0.061 0.000 2.539 1082 G HA2 -0.260 3.703 3.960 0.004 0.000 0.256 1082 G HA3 -0.260 3.703 3.960 0.004 0.000 0.256 1082 G C -0.138 174.804 174.900 0.069 0.000 1.233 1082 G CA 0.000 45.138 45.100 0.063 0.000 0.936 1082 G HN 0.491 nan 8.290 nan 0.000 0.571 1083 D N 0.284 120.731 120.400 0.079 0.000 2.283 1083 D HA 0.361 5.004 4.640 0.004 0.000 0.248 1083 D C 1.606 177.984 176.300 0.129 0.000 1.072 1083 D CA -0.368 53.676 54.000 0.072 0.000 0.929 1083 D CB 1.862 42.689 40.800 0.045 0.000 1.182 1083 D HN 0.502 nan 8.370 nan 0.000 0.433 1084 L N 2.145 123.438 121.223 0.117 0.000 2.131 1084 L HA -0.156 4.186 4.340 0.004 0.000 0.210 1084 L C 2.465 179.450 176.870 0.192 0.000 1.092 1084 L CA 1.781 56.729 54.840 0.179 0.000 0.759 1084 L CB -0.778 41.359 42.059 0.131 0.000 0.903 1084 L HN 0.608 nan 8.230 nan 0.000 0.435 1085 K N -1.216 119.266 120.400 0.137 0.000 2.026 1085 K HA -0.141 4.181 4.320 0.004 0.000 0.208 1085 K C 2.047 178.718 176.600 0.118 0.000 1.048 1085 K CA 1.687 58.051 56.287 0.129 0.000 0.929 1085 K CB -0.109 32.458 32.500 0.112 0.000 0.713 1085 K HN 0.361 nan 8.250 nan 0.000 0.439 1086 S N 0.068 115.842 115.700 0.122 0.000 2.356 1086 S HA -0.177 4.295 4.470 0.004 0.000 0.223 1086 S C 1.651 176.335 174.600 0.139 0.000 1.032 1086 S CA 1.303 59.572 58.200 0.114 0.000 1.005 1086 S CB -0.588 62.681 63.200 0.114 0.000 0.867 1086 S HN 0.424 nan 8.310 nan 0.000 0.449 1087 Y N 2.532 122.875 120.300 0.073 0.000 2.070 1087 Y HA -0.174 4.381 4.550 0.008 0.000 0.280 1087 Y C 1.959 177.886 175.900 0.044 0.000 1.148 1087 Y CA 1.375 59.523 58.100 0.079 0.000 1.125 1087 Y CB -0.704 37.817 38.460 0.102 0.000 0.975 1087 Y HN 0.123 nan 8.280 nan 0.000 0.492 1088 L N -0.077 121.131 121.223 -0.026 0.000 2.013 1088 L HA -0.290 4.052 4.340 0.004 0.000 0.212 1088 L C 2.664 179.455 176.870 -0.132 0.000 1.073 1088 L CA 1.870 56.635 54.840 -0.125 0.000 0.753 1088 L CB -0.564 41.498 42.059 0.006 0.000 0.890 1088 L HN 0.175 nan 8.230 nan 0.000 0.432 1089 R N -0.315 120.154 120.500 -0.050 0.000 2.120 1089 R HA -0.135 4.207 4.340 0.004 0.000 0.234 1089 R C 2.570 178.829 176.300 -0.067 0.000 1.123 1089 R CA 1.496 57.573 56.100 -0.039 0.000 0.975 1089 R CB -0.426 29.880 30.300 0.010 0.000 0.866 1089 R HN 0.492 nan 8.270 nan 0.000 0.446 1090 S N 0.787 116.435 115.700 -0.087 0.000 2.442 1090 S HA -0.067 4.405 4.470 0.004 0.000 0.236 1090 S C 1.773 176.281 174.600 -0.153 0.000 1.007 1090 S CA 0.859 59.004 58.200 -0.093 0.000 0.965 1090 S CB -0.175 62.992 63.200 -0.055 0.000 0.773 1090 S HN 0.276 nan 8.310 nan 0.000 0.504 1091 L N 0.556 121.637 121.223 -0.238 0.000 2.591 1091 L HA 0.248 4.590 4.340 0.004 0.000 0.228 1091 L C 1.039 177.819 176.870 -0.150 0.000 1.133 1091 L CA -0.172 54.526 54.840 -0.236 0.000 0.880 1091 L CB -0.187 41.664 42.059 -0.348 0.000 1.033 1091 L HN 0.141 nan 8.230 nan 0.000 0.450 1092 R N 0.731 121.162 120.500 -0.115 0.000 2.590 1092 R HA 0.042 4.385 4.340 0.004 0.000 0.274 1092 R C -1.328 174.931 176.300 -0.068 0.000 1.061 1092 R CA -1.409 54.640 56.100 -0.085 0.000 1.081 1092 R CB 0.222 30.483 30.300 -0.065 0.000 0.984 1092 R HN -0.157 nan 8.270 nan 0.000 0.448 1093 P HA -0.198 nan 4.420 nan 0.000 0.216 1093 P C 0.808 178.086 177.300 -0.037 0.000 1.153 1093 P CA 1.730 64.800 63.100 -0.049 0.000 0.858 1093 P CB 0.219 31.893 31.700 -0.045 0.000 0.789 1094 E N -1.142 119.038 120.200 -0.033 0.000 2.451 1094 E HA 0.483 4.836 4.350 0.004 0.000 0.194 1094 E C 0.727 177.315 176.600 -0.020 0.000 1.027 1094 E CA 0.060 56.446 56.400 -0.023 0.000 0.914 1094 E CB -0.791 28.897 29.700 -0.019 0.000 1.054 1094 E HN 0.334 nan 8.360 nan 0.000 0.461 1095 A N 0.375 123.179 122.820 -0.025 0.000 2.454 1095 A HA 0.526 4.849 4.320 0.004 0.000 0.260 1095 A C 1.650 179.228 177.584 -0.010 0.000 1.106 1095 A CA 0.549 52.575 52.037 -0.019 0.000 0.780 1095 A CB -0.117 18.865 19.000 -0.030 0.000 1.044 1095 A HN 0.658 nan 8.150 nan 0.000 0.498 1096 E N 2.791 122.990 120.200 -0.002 0.000 2.070 1096 E HA -0.284 4.068 4.350 0.004 0.000 0.197 1096 E C 1.198 177.803 176.600 0.008 0.000 1.004 1096 E CA 1.832 58.234 56.400 0.004 0.000 0.805 1096 E CB -0.914 28.791 29.700 0.008 0.000 0.744 1096 E HN 0.961 nan 8.360 nan 0.000 0.451 1097 N N 0.816 119.523 118.700 0.011 0.000 2.421 1097 N HA -0.058 4.684 4.740 0.004 0.000 0.201 1097 N C 0.093 175.613 175.510 0.018 0.000 1.198 1097 N CA 0.019 53.083 53.050 0.022 0.000 0.838 1097 N CB -0.627 37.880 38.487 0.033 0.000 1.011 1097 N HN 0.336 nan 8.380 nan 0.000 0.463 1098 N N 2.675 121.375 118.700 -0.000 0.000 2.365 1098 N HA -0.032 4.711 4.740 0.004 0.000 0.265 1098 N C -1.373 174.142 175.510 0.008 0.000 1.288 1098 N CA -0.607 52.434 53.050 -0.015 0.000 0.869 1098 N CB 0.982 39.453 38.487 -0.026 0.000 1.071 1098 N HN 0.183 nan 8.380 nan 0.000 0.480 1099 P HA 0.079 nan 4.420 nan 0.000 0.242 1099 P C 0.471 177.799 177.300 0.046 0.000 1.197 1099 P CA 0.465 63.602 63.100 0.062 0.000 0.765 1099 P CB -0.019 31.750 31.700 0.114 0.000 0.936 1100 G N 0.387 109.195 108.800 0.012 0.000 2.176 1100 G HA2 -0.257 3.706 3.960 0.004 0.000 0.252 1100 G HA3 -0.257 3.706 3.960 0.004 0.000 0.252 1100 G C -0.018 174.880 174.900 -0.003 0.000 1.024 1100 G CA -0.314 44.790 45.100 0.006 0.000 0.755 1100 G HN 0.408 nan 8.290 nan 0.000 0.507 1101 R N 0.275 120.760 120.500 -0.024 0.000 2.711 1101 R HA 0.588 4.931 4.340 0.004 0.000 0.284 1101 R C -2.223 174.026 176.300 -0.084 0.000 0.968 1101 R CA -1.817 54.251 56.100 -0.053 0.000 0.924 1101 R CB 1.893 32.152 30.300 -0.069 0.000 1.162 1101 R HN 0.152 nan 8.270 nan 0.000 0.465 1102 P HA 0.185 nan 4.420 nan 0.000 0.272 1102 P C -2.512 174.714 177.300 -0.123 0.000 1.240 1102 P CA -1.266 61.779 63.100 -0.092 0.000 0.791 1102 P CB -0.173 31.481 31.700 -0.076 0.000 0.978 1103 P HA 0.198 nan 4.420 nan 0.000 0.271 1103 P C -2.325 174.905 177.300 -0.117 0.000 1.233 1103 P CA -0.902 62.118 63.100 -0.134 0.000 0.789 1103 P CB -1.410 30.221 31.700 -0.114 0.000 0.951 1104 P HA 0.047 nan 4.420 nan 0.000 0.268 1104 P C 0.075 177.330 177.300 -0.074 0.000 1.204 1104 P CA 0.081 63.132 63.100 -0.082 0.000 0.768 1104 P CB -0.070 31.597 31.700 -0.054 0.000 0.842 1105 T N 0.079 114.593 114.554 -0.067 0.000 2.732 1105 T HA 0.123 4.475 4.350 0.004 0.000 0.287 1105 T C 1.270 175.938 174.700 -0.052 0.000 0.993 1105 T CA -0.653 61.413 62.100 -0.057 0.000 0.966 1105 T CB 0.260 69.099 68.868 -0.049 0.000 1.047 1105 T HN 0.243 nan 8.240 nan 0.000 0.527 1106 L N -0.004 121.190 121.223 -0.049 0.000 2.046 1106 L HA -0.113 4.229 4.340 0.004 0.000 0.208 1106 L C 2.999 179.843 176.870 -0.043 0.000 1.077 1106 L CA 1.539 56.350 54.840 -0.048 0.000 0.747 1106 L CB -0.489 41.543 42.059 -0.045 0.000 0.896 1106 L HN 0.733 nan 8.230 nan 0.000 0.432 1107 Q N 0.450 120.227 119.800 -0.038 0.000 2.124 1107 Q HA -0.256 4.087 4.340 0.004 0.000 0.202 1107 Q C 1.907 177.890 176.000 -0.028 0.000 0.977 1107 Q CA 1.861 57.645 55.803 -0.032 0.000 0.850 1107 Q CB -0.029 28.696 28.738 -0.022 0.000 0.901 1107 Q HN 0.604 nan 8.270 nan 0.000 0.429 1108 E N -0.712 119.470 120.200 -0.030 0.000 2.072 1108 E HA -0.108 4.245 4.350 0.004 0.000 0.190 1108 E C 2.156 178.745 176.600 -0.019 0.000 0.982 1108 E CA 0.991 57.377 56.400 -0.024 0.000 0.803 1108 E CB -0.078 29.598 29.700 -0.041 0.000 0.755 1108 E HN 0.354 nan 8.360 nan 0.000 0.453 1109 M N 0.402 119.984 119.600 -0.030 0.000 2.108 1109 M HA -0.177 4.305 4.480 0.004 0.000 0.261 1109 M C 2.134 178.415 176.300 -0.032 0.000 1.066 1109 M CA 1.088 56.368 55.300 -0.032 0.000 1.107 1109 M CB -0.180 32.390 32.600 -0.050 0.000 1.356 1109 M HN 0.135 nan 8.290 nan 0.000 0.406 1110 I N 0.169 120.715 120.570 -0.041 0.000 2.226 1110 I HA -0.252 3.920 4.170 0.004 0.000 0.245 1110 I C 2.474 178.552 176.117 -0.065 0.000 1.100 1110 I CA 1.592 62.861 61.300 -0.051 0.000 1.374 1110 I CB -1.257 36.705 38.000 -0.063 0.000 1.057 1110 I HN 0.360 nan 8.210 nan 0.000 0.413 1111 Q N 0.907 120.674 119.800 -0.055 0.000 2.050 1111 Q HA -0.166 4.176 4.340 0.004 0.000 0.202 1111 Q C 2.320 178.306 176.000 -0.023 0.000 0.980 1111 Q CA 1.768 57.537 55.803 -0.057 0.000 0.840 1111 Q CB -0.191 28.544 28.738 -0.004 0.000 0.898 1111 Q HN 0.377 nan 8.270 nan 0.000 0.424 1112 M N -0.504 119.102 119.600 0.009 0.000 2.073 1112 M HA -0.243 4.239 4.480 0.004 0.000 0.258 1112 M C 2.200 178.536 176.300 0.061 0.000 1.070 1112 M CA 1.771 57.094 55.300 0.037 0.000 1.103 1112 M CB -0.606 32.017 32.600 0.037 0.000 1.321 1112 M HN 0.384 nan 8.290 nan 0.000 0.405 1113 A N 0.432 123.287 122.820 0.060 0.000 1.873 1113 A HA -0.201 4.121 4.320 0.004 0.000 0.218 1113 A C 2.358 180.076 177.584 0.224 0.000 1.193 1113 A CA 2.464 54.611 52.037 0.184 0.000 0.629 1113 A CB -1.232 17.852 19.000 0.139 0.000 0.826 1113 A HN 0.562 nan 8.150 nan 0.000 0.447 1114 A N -0.614 122.219 122.820 0.021 0.000 1.940 1114 A HA -0.200 4.123 4.320 0.004 0.000 0.219 1114 A C 1.940 179.513 177.584 -0.019 0.000 1.176 1114 A CA 1.855 53.827 52.037 -0.108 0.000 0.631 1114 A CB -0.551 18.186 19.000 -0.439 0.000 0.814 1114 A HN 0.681 nan 8.150 nan 0.000 0.446 1115 E N -0.389 119.793 120.200 -0.030 0.000 2.047 1115 E HA -0.109 4.243 4.350 0.004 0.000 0.191 1115 E C 1.910 178.488 176.600 -0.037 0.000 0.987 1115 E CA 1.149 57.450 56.400 -0.165 0.000 0.799 1115 E CB -0.278 29.376 29.700 -0.077 0.000 0.752 1115 E HN 0.690 nan 8.360 nan 0.000 0.449 1116 I N 1.302 121.935 120.570 0.105 0.000 2.127 1116 I HA -0.309 3.864 4.170 0.004 0.000 0.241 1116 I C 2.561 178.752 176.117 0.123 0.000 1.075 1116 I CA 1.186 62.591 61.300 0.175 0.000 1.334 1116 I CB -0.357 37.830 38.000 0.312 0.000 1.040 1116 I HN 0.096 nan 8.210 nan 0.000 0.405 1117 A N 0.114 123.032 122.820 0.163 0.000 1.933 1117 A HA -0.302 4.021 4.320 0.004 0.000 0.218 1117 A C 1.962 179.571 177.584 0.041 0.000 1.175 1117 A CA 2.351 54.383 52.037 -0.008 0.000 0.628 1117 A CB -0.727 18.225 19.000 -0.081 0.000 0.814 1117 A HN 0.484 nan 8.150 nan 0.000 0.444 1118 D N -0.791 119.685 120.400 0.127 0.000 2.097 1118 D HA -0.025 4.618 4.640 0.004 0.000 0.197 1118 D C 2.036 178.475 176.300 0.232 0.000 0.984 1118 D CA 1.652 55.813 54.000 0.269 0.000 0.826 1118 D CB -0.448 40.545 40.800 0.323 0.000 0.973 1118 D HN 0.282 nan 8.370 nan 0.000 0.460 1119 G N 0.165 109.050 108.800 0.142 0.000 2.440 1119 G HA2 -0.241 3.721 3.960 0.004 0.000 0.218 1119 G HA3 -0.241 3.721 3.960 0.004 0.000 0.218 1119 G C 1.523 176.397 174.900 -0.042 0.000 1.154 1119 G CA 0.905 46.063 45.100 0.096 0.000 0.767 1119 G HN 0.186 nan 8.290 nan 0.000 0.552 1120 M N 1.112 120.563 119.600 -0.249 0.000 2.175 1120 M HA 0.094 4.577 4.480 0.004 0.000 0.264 1120 M C 2.993 179.041 176.300 -0.420 0.000 1.063 1120 M CA 1.128 56.074 55.300 -0.590 0.000 1.119 1120 M CB -1.244 30.399 32.600 -1.595 0.000 1.377 1120 M HN 0.320 nan 8.290 nan 0.000 0.415 1121 A N -0.650 122.085 122.820 -0.142 0.000 1.902 1121 A HA -0.222 4.100 4.320 0.004 0.000 0.217 1121 A C 2.162 179.688 177.584 -0.097 0.000 1.181 1121 A CA 1.456 53.578 52.037 0.143 0.000 0.623 1121 A CB -1.153 18.119 19.000 0.453 0.000 0.818 1121 A HN 0.497 nan 8.150 nan 0.000 0.443 1122 Y N -0.073 119.939 120.300 -0.479 0.000 2.097 1122 Y HA -0.201 4.361 4.550 0.019 0.000 0.282 1122 Y C 2.005 177.571 175.900 -0.557 0.000 1.152 1122 Y CA 1.903 59.404 58.100 -0.997 0.000 1.136 1122 Y CB -0.458 37.580 38.460 -0.702 0.000 0.975 1122 Y HN 0.206 nan 8.280 nan 0.000 0.498 1123 L N 1.354 122.343 121.223 -0.390 0.000 1.990 1123 L HA -0.305 4.038 4.340 0.004 0.000 0.213 1123 L C 2.463 179.217 176.870 -0.194 0.000 1.072 1123 L CA 2.317 56.927 54.840 -0.382 0.000 0.755 1123 L CB -1.466 40.485 42.059 -0.181 0.000 0.889 1123 L HN 0.489 nan 8.230 nan 0.000 0.432 1124 N N -0.718 117.916 118.700 -0.110 0.000 2.069 1124 N HA -0.236 4.507 4.740 0.004 0.000 0.191 1124 N C 1.758 177.236 175.510 -0.053 0.000 1.031 1124 N CA 1.495 54.543 53.050 -0.003 0.000 0.852 1124 N CB 0.062 38.617 38.487 0.112 0.000 1.018 1124 N HN 0.398 nan 8.380 nan 0.000 0.423 1125 A N 1.324 124.061 122.820 -0.138 0.000 1.972 1125 A HA -0.093 4.230 4.320 0.004 0.000 0.219 1125 A C 2.030 179.508 177.584 -0.177 0.000 1.169 1125 A CA 1.077 53.042 52.037 -0.121 0.000 0.635 1125 A CB -0.250 18.686 19.000 -0.106 0.000 0.810 1125 A HN 0.232 nan 8.150 nan 0.000 0.446 1126 K N -0.540 119.681 120.400 -0.299 0.000 2.555 1126 K HA -0.020 4.302 4.320 0.004 0.000 0.193 1126 K C -0.278 176.285 176.600 -0.061 0.000 1.032 1126 K CA 0.262 56.459 56.287 -0.149 0.000 1.004 1126 K CB 0.072 32.493 32.500 -0.133 0.000 0.804 1126 K HN 0.318 nan 8.250 nan 0.000 0.496 1127 K N -0.046 120.294 120.400 -0.100 0.000 3.239 1127 K HA -0.161 4.161 4.320 0.004 0.000 0.270 1127 K C -0.828 175.552 176.600 -0.367 0.000 1.049 1127 K CA 0.732 56.911 56.287 -0.181 0.000 0.769 1127 K CB -2.093 30.281 32.500 -0.210 0.000 1.305 1127 K HN 0.055 nan 8.250 nan 0.000 0.469 1128 F N -1.163 118.786 119.950 -0.002 0.000 2.546 1128 F HA 0.512 5.042 4.527 0.005 0.000 0.320 1128 F C 0.433 176.275 175.800 0.071 0.000 1.076 1128 F CA -1.034 56.996 58.000 0.050 0.000 0.928 1128 F CB 1.825 40.889 39.000 0.107 0.000 1.189 1128 F HN -0.152 nan 8.300 nan 0.000 0.465 1129 V N 3.634 123.720 119.914 0.287 0.000 2.459 1129 V HA 0.233 4.356 4.120 0.004 0.000 0.295 1129 V C 0.642 176.899 176.094 0.271 0.000 1.029 1129 V CA -0.163 62.293 62.300 0.259 0.000 0.874 1129 V CB 1.146 33.104 31.823 0.225 0.000 0.985 1129 V HN 0.914 nan 8.190 nan 0.000 0.438 1130 H N 5.836 125.023 119.070 0.195 0.000 2.299 1130 H HA -0.006 4.552 4.556 0.002 0.000 0.302 1130 H C 1.597 176.983 175.328 0.096 0.000 1.078 1130 H CA 2.265 58.407 56.048 0.157 0.000 1.323 1130 H CB 0.373 30.202 29.762 0.112 0.000 1.381 1130 H HN 0.834 nan 8.280 nan 0.000 0.498 1131 R N -0.982 119.707 120.500 0.316 0.000 3.749 1131 R HA -0.178 4.165 4.340 0.004 0.000 0.476 1131 R C -0.294 176.147 176.300 0.235 0.000 0.814 1131 R CA 1.301 57.520 56.100 0.198 0.000 1.494 1131 R CB -1.418 28.781 30.300 -0.167 0.000 2.164 1131 R HN 0.330 nan 8.270 nan 0.000 0.473 1132 D N 0.244 120.872 120.400 0.379 0.000 2.940 1132 D HA 0.148 4.791 4.640 0.004 0.000 0.366 1132 D C -1.017 175.389 176.300 0.177 0.000 1.446 1132 D CA -0.432 53.708 54.000 0.234 0.000 0.780 1132 D CB 0.375 41.227 40.800 0.086 0.000 1.206 1132 D HN 0.047 nan 8.370 nan 0.000 0.454 1133 L N 1.629 122.930 121.223 0.130 0.000 2.477 1133 L HA 0.594 4.937 4.340 0.004 0.000 0.272 1133 L C -0.448 176.448 176.870 0.043 0.000 1.157 1133 L CA 0.374 55.165 54.840 -0.082 0.000 0.889 1133 L CB 0.310 42.378 42.059 0.014 0.000 1.158 1133 L HN 0.206 nan 8.230 nan 0.000 0.473 1134 A N 3.906 126.683 122.820 -0.072 0.000 2.597 1134 A HA 0.674 4.997 4.320 0.004 0.000 0.292 1134 A C 0.481 178.056 177.584 -0.014 0.000 1.057 1134 A CA -0.168 51.797 52.037 -0.121 0.000 0.674 1134 A CB 0.277 18.773 19.000 -0.840 0.000 1.278 1134 A HN 1.035 nan 8.150 nan 0.000 0.416 1135 A N 0.902 123.797 122.820 0.126 0.000 1.917 1135 A HA -0.182 4.140 4.320 0.004 0.000 0.219 1135 A C 1.969 179.575 177.584 0.036 0.000 1.182 1135 A CA 2.210 54.312 52.037 0.108 0.000 0.633 1135 A CB -0.680 18.430 19.000 0.183 0.000 0.819 1135 A HN 1.229 nan 8.150 nan 0.000 0.448 1136 R N -0.965 119.520 120.500 -0.024 0.000 2.249 1136 R HA -0.077 4.265 4.340 0.004 0.000 0.230 1136 R C 0.496 176.759 176.300 -0.063 0.000 1.121 1136 R CA 1.698 57.769 56.100 -0.048 0.000 0.997 1136 R CB -0.432 29.805 30.300 -0.105 0.000 0.867 1136 R HN 0.380 nan 8.270 nan 0.000 0.465 1137 N N -0.214 118.432 118.700 -0.089 0.000 2.205 1137 N HA 0.113 4.855 4.740 0.004 0.000 0.201 1137 N C -0.730 174.726 175.510 -0.090 0.000 1.128 1137 N CA -0.089 52.904 53.050 -0.095 0.000 0.867 1137 N CB 0.588 39.013 38.487 -0.103 0.000 0.996 1137 N HN 0.133 nan 8.380 nan 0.000 0.503 1138 C N 1.660 120.932 119.300 -0.046 0.000 2.365 1138 C HA 0.554 5.016 4.460 0.004 0.000 0.351 1138 C C 0.234 175.229 174.990 0.008 0.000 1.240 1138 C CA -0.732 58.276 59.018 -0.016 0.000 2.062 1138 C CB 0.476 28.226 27.740 0.017 0.000 2.387 1138 C HN 0.191 nan 8.230 nan 0.000 0.537 1139 M N 2.519 122.125 119.600 0.011 0.000 2.598 1139 M HA 0.560 5.043 4.480 0.004 0.000 0.317 1139 M C -0.717 175.584 176.300 0.001 0.000 1.179 1139 M CA -0.659 54.649 55.300 0.013 0.000 0.936 1139 M CB 1.533 34.139 32.600 0.011 0.000 1.713 1139 M HN 0.320 nan 8.290 nan 0.000 0.460 1140 V N 1.405 121.310 119.914 -0.016 0.000 2.409 1140 V HA 0.732 4.854 4.120 0.004 0.000 0.291 1140 V C 0.384 176.444 176.094 -0.057 0.000 1.020 1140 V CA -1.035 61.223 62.300 -0.070 0.000 0.848 1140 V CB 1.071 32.769 31.823 -0.208 0.000 0.990 1140 V HN 1.019 nan 8.190 nan 0.000 0.430 1141 A N 2.715 125.484 122.820 -0.085 0.000 2.267 1141 A HA 0.436 4.758 4.320 0.004 0.000 0.271 1141 A C 1.301 178.794 177.584 -0.151 0.000 1.131 1141 A CA 0.569 52.556 52.037 -0.082 0.000 0.818 1141 A CB -0.076 18.875 19.000 -0.082 0.000 1.118 1141 A HN 1.249 nan 8.150 nan 0.000 0.501 1142 H N -0.896 118.067 119.070 -0.178 0.000 2.390 1142 H HA -0.146 4.408 4.556 -0.004 0.000 0.298 1142 H C 0.744 175.857 175.328 -0.358 0.000 1.106 1142 H CA 1.793 57.701 56.048 -0.234 0.000 1.297 1142 H CB -0.131 29.537 29.762 -0.157 0.000 1.375 1142 H HN 0.602 nan 8.280 nan 0.000 0.509 1143 D N -0.774 119.069 120.400 -0.928 0.000 2.325 1143 D HA -0.077 4.565 4.640 0.004 0.000 0.225 1143 D C 0.041 176.213 176.300 -0.212 0.000 1.096 1143 D CA -0.428 53.230 54.000 -0.570 0.000 0.844 1143 D CB -0.738 39.738 40.800 -0.540 0.000 0.925 1143 D HN 0.553 nan 8.370 nan 0.000 0.513 1144 F N -0.962 118.885 119.950 -0.173 0.000 2.794 1144 F HA -0.243 4.288 4.527 0.006 0.000 0.335 1144 F C 0.403 176.124 175.800 -0.132 0.000 0.653 1144 F CA 0.698 58.576 58.000 -0.202 0.000 1.266 1144 F CB -2.776 36.094 39.000 -0.217 0.000 1.666 1144 F HN -0.123 nan 8.300 nan 0.000 0.314 1145 T N 1.898 116.453 114.554 0.003 0.000 2.908 1145 T HA 0.385 4.738 4.350 0.004 0.000 0.301 1145 T C 0.558 175.284 174.700 0.042 0.000 1.019 1145 T CA -0.123 62.014 62.100 0.062 0.000 1.152 1145 T CB 1.107 70.018 68.868 0.071 0.000 0.966 1145 T HN 0.071 nan 8.240 nan 0.000 0.540 1146 V N 5.114 125.080 119.914 0.088 0.000 2.481 1146 V HA 0.460 4.582 4.120 0.004 0.000 0.286 1146 V C 0.224 176.381 176.094 0.104 0.000 1.042 1146 V CA -0.536 61.805 62.300 0.067 0.000 0.928 1146 V CB 1.316 33.178 31.823 0.065 0.000 0.986 1146 V HN 0.769 nan 8.190 nan 0.000 0.462 1147 K N 4.185 124.626 120.400 0.069 0.000 2.469 1147 K HA 0.583 4.905 4.320 0.004 0.000 0.254 1147 K C -1.329 175.308 176.600 0.062 0.000 0.939 1147 K CA -0.937 55.400 56.287 0.083 0.000 0.812 1147 K CB 2.466 34.989 32.500 0.038 0.000 1.301 1147 K HN 0.354 nan 8.250 nan 0.000 0.433 1148 I N 2.271 122.890 120.570 0.081 0.000 2.556 1148 I HA 0.166 4.339 4.170 0.004 0.000 0.284 1148 I C 0.926 177.065 176.117 0.037 0.000 1.114 1148 I CA 0.456 61.773 61.300 0.027 0.000 1.418 1148 I CB 0.052 38.092 38.000 0.066 0.000 1.394 1148 I HN 0.825 nan 8.210 nan 0.000 0.552 1149 G N 3.618 112.320 108.800 -0.162 0.000 3.211 1149 G HA2 0.382 4.344 3.960 0.004 0.000 0.262 1149 G HA3 0.382 4.344 3.960 0.004 0.000 0.262 1149 G C -0.731 173.793 174.900 -0.627 0.000 1.352 1149 G CA -0.423 44.524 45.100 -0.256 0.000 1.004 1149 G HN 0.612 nan 8.290 nan 0.000 0.559 1150 D N -1.392 118.781 120.400 -0.378 0.000 3.478 1150 D HA -0.177 4.465 4.640 0.004 0.000 0.219 1150 D C -0.332 175.650 176.300 -0.529 0.000 1.143 1150 D CA 0.377 54.200 54.000 -0.296 0.000 1.047 1150 D CB -0.846 39.862 40.800 -0.153 0.000 0.820 1150 D HN 0.221 nan 8.370 nan 0.000 0.393 1151 F N 0.907 120.793 119.950 -0.106 0.000 2.668 1151 F HA 0.347 4.876 4.527 0.003 0.000 0.297 1151 F C 2.234 177.908 175.800 -0.210 0.000 1.124 1151 F CA 0.052 57.917 58.000 -0.224 0.000 1.353 1151 F CB 0.538 39.459 39.000 -0.132 0.000 0.992 1151 F HN 0.374 nan 8.300 nan 0.000 0.524 1152 G N 0.211 108.961 108.800 -0.083 0.000 2.450 1152 G HA2 -0.232 3.731 3.960 0.004 0.000 0.220 1152 G HA3 -0.232 3.731 3.960 0.004 0.000 0.220 1152 G C 1.470 176.323 174.900 -0.079 0.000 1.130 1152 G CA 0.657 45.721 45.100 -0.059 0.000 0.760 1152 G HN 0.341 nan 8.290 nan 0.000 0.557 1153 M N 0.830 120.349 119.600 -0.135 0.000 2.371 1153 M HA 0.127 4.610 4.480 0.004 0.000 0.246 1153 M C 0.167 176.386 176.300 -0.134 0.000 1.103 1153 M CA 0.008 55.224 55.300 -0.140 0.000 1.010 1153 M CB 0.675 33.190 32.600 -0.142 0.000 1.457 1153 M HN -0.099 nan 8.290 nan 0.000 0.486 1154 T N 2.750 117.239 114.554 -0.108 0.000 2.916 1154 T HA 0.248 4.600 4.350 0.004 0.000 0.303 1154 T C 0.252 175.019 174.700 0.112 0.000 1.025 1154 T CA 0.068 62.174 62.100 0.011 0.000 1.142 1154 T CB 0.538 69.460 68.868 0.090 0.000 0.947 1154 T HN 0.168 nan 8.240 nan 0.000 0.544 1155 R N 2.061 122.682 120.500 0.202 0.000 2.686 1155 R HA 0.337 4.679 4.340 0.004 0.000 0.283 1155 R C -0.909 175.540 176.300 0.249 0.000 0.978 1155 R CA -1.043 55.174 56.100 0.196 0.000 0.897 1155 R CB 1.567 31.901 30.300 0.056 0.000 1.192 1155 R HN 0.652 nan 8.270 nan 0.000 0.457 1156 D N 2.441 122.898 120.400 0.094 0.000 2.383 1156 D HA 0.252 4.894 4.640 0.004 0.000 0.252 1156 D C 0.207 176.387 176.300 -0.199 0.000 1.166 1156 D CA -0.067 53.727 54.000 -0.343 0.000 0.879 1156 D CB 0.484 41.098 40.800 -0.311 0.000 1.164 1156 D HN 0.458 nan 8.370 nan 0.000 0.462 1160 T N -2.016 112.524 114.554 -0.023 0.000 2.975 1160 T HA 0.384 4.736 4.350 0.004 0.000 0.261 1160 T C 0.343 175.044 174.700 0.001 0.000 0.984 1160 T CA 0.943 63.038 62.100 -0.007 0.000 0.911 1160 T CB 0.528 69.397 68.868 0.001 0.000 1.127 1160 T HN 0.434 nan 8.240 nan 0.000 0.514 1165 K N 3.072 123.614 120.400 0.236 0.000 2.740 1165 K HA 0.317 4.639 4.320 0.004 0.000 0.246 1165 K C -0.594 176.106 176.600 0.168 0.000 1.021 1165 K CA -0.391 55.997 56.287 0.168 0.000 1.021 1165 K CB 1.479 34.057 32.500 0.131 0.000 1.233 1165 K HN 0.772 nan 8.250 nan 0.000 0.497 1166 G N 1.097 109.953 108.800 0.094 0.000 2.562 1166 G HA2 0.661 4.624 3.960 0.004 0.000 0.275 1166 G HA3 0.661 4.624 3.960 0.004 0.000 0.275 1166 G C 0.164 175.097 174.900 0.055 0.000 1.196 1166 G CA 0.288 45.425 45.100 0.062 0.000 0.908 1166 G HN 0.846 nan 8.290 nan 0.000 0.524 1167 G N -1.983 106.841 108.800 0.041 0.000 2.422 1167 G HA2 0.478 4.441 3.960 0.004 0.000 0.607 1167 G HA3 0.478 4.441 3.960 0.004 0.000 0.607 1167 G C -0.199 174.723 174.900 0.038 0.000 1.270 1167 G CA 0.270 45.391 45.100 0.034 0.000 0.992 1167 G HN 1.502 nan 8.290 nan 0.000 0.499 1168 K N -0.575 119.843 120.400 0.031 0.000 2.205 1168 K HA 0.905 5.227 4.320 0.004 0.000 0.279 1168 K C 0.663 177.285 176.600 0.036 0.000 1.027 1168 K CA 0.800 57.106 56.287 0.031 0.000 0.932 1168 K CB 1.432 33.945 32.500 0.022 0.000 1.032 1168 K HN 2.486 nan 8.250 nan 0.000 0.466 1169 G N -0.046 108.779 108.800 0.042 0.000 2.677 1169 G HA2 0.491 4.453 3.960 0.004 0.000 0.291 1169 G HA3 0.491 4.453 3.960 0.004 0.000 0.291 1169 G C -1.398 173.528 174.900 0.043 0.000 1.435 1169 G CA -0.795 44.329 45.100 0.041 0.000 0.826 1169 G HN 0.635 nan 8.290 nan 0.000 0.491 1170 L N 1.264 122.508 121.223 0.035 0.000 2.363 1170 L HA 0.496 4.838 4.340 0.004 0.000 0.286 1170 L C -0.682 176.217 176.870 0.048 0.000 1.106 1170 L CA -0.214 54.649 54.840 0.038 0.000 0.859 1170 L CB -0.119 41.956 42.059 0.026 0.000 1.223 1170 L HN 0.264 nan 8.230 nan 0.000 0.446 1171 L N 6.204 127.469 121.223 0.070 0.000 2.354 1171 L HA 0.519 4.862 4.340 0.004 0.000 0.264 1171 L C -1.945 175.002 176.870 0.128 0.000 1.008 1171 L CA -1.599 53.300 54.840 0.098 0.000 0.819 1171 L CB 2.328 44.462 42.059 0.125 0.000 1.339 1171 L HN 0.407 nan 8.230 nan 0.000 0.420 1172 P HA 0.024 nan 4.420 nan 0.000 0.230 1172 P C 0.732 178.255 177.300 0.371 0.000 1.791 1172 P CA 0.033 63.273 63.100 0.233 0.000 1.020 1172 P CB 0.705 32.493 31.700 0.148 0.000 1.977 1173 V N 3.687 123.765 119.914 0.273 0.000 2.332 1173 V HA -0.265 3.858 4.120 0.004 0.000 0.248 1173 V C 2.202 178.400 176.094 0.173 0.000 1.055 1173 V CA 1.768 64.174 62.300 0.177 0.000 1.038 1173 V CB -0.469 31.405 31.823 0.085 0.000 0.651 1173 V HN 0.288 nan 8.190 nan 0.000 0.450 1174 R N -1.154 119.500 120.500 0.257 0.000 2.328 1174 R HA -0.084 4.259 4.340 0.004 0.000 0.207 1174 R C 1.740 178.023 176.300 -0.029 0.000 1.056 1174 R CA 1.405 57.555 56.100 0.084 0.000 1.016 1174 R CB -0.182 30.081 30.300 -0.062 0.000 0.872 1174 R HN 0.645 nan 8.270 nan 0.000 0.471 1175 W N -0.360 121.078 121.300 0.230 0.000 3.127 1175 W HA 0.286 4.949 4.660 0.005 0.000 0.344 1175 W C 0.104 176.838 176.519 0.358 0.000 1.151 1175 W CA -0.471 57.057 57.345 0.305 0.000 1.765 1175 W CB 0.345 29.956 29.460 0.251 0.000 1.085 1175 W HN 0.000 nan 8.180 nan 0.000 0.596 1176 M N 0.574 120.378 119.600 0.339 0.000 2.277 1176 M HA 0.411 4.893 4.480 0.004 0.000 0.350 1176 M C 0.583 176.624 176.300 -0.431 0.000 1.180 1176 M CA -0.271 55.083 55.300 0.090 0.000 1.103 1176 M CB 1.416 34.056 32.600 0.067 0.000 1.577 1176 M HN -0.270 nan 8.290 nan 0.000 0.459 1177 A N 4.532 126.991 122.820 -0.600 0.000 2.425 1177 A HA 0.312 4.634 4.320 0.004 0.000 0.242 1177 A C -1.611 175.410 177.584 -0.938 0.000 1.077 1177 A CA -1.208 50.124 52.037 -1.176 0.000 0.781 1177 A CB -0.435 18.226 19.000 -0.565 0.000 1.020 1177 A HN 0.656 nan 8.150 nan 0.000 0.494 1178 P HA -0.224 nan 4.420 nan 0.000 0.216 1178 P C 1.115 178.090 177.300 -0.542 0.000 1.150 1178 P CA 1.697 64.369 63.100 -0.714 0.000 0.837 1178 P CB 0.014 31.235 31.700 -0.799 0.000 0.786 1179 E N 0.264 120.124 120.200 -0.566 0.000 2.204 1179 E HA -0.091 4.261 4.350 0.004 0.000 0.194 1179 E C 1.682 178.055 176.600 -0.380 0.000 0.989 1179 E CA 1.136 57.297 56.400 -0.398 0.000 0.824 1179 E CB -1.048 28.451 29.700 -0.336 0.000 0.756 1179 E HN 0.160 nan 8.360 nan 0.000 0.477 1180 S N 1.150 116.563 115.700 -0.479 0.000 2.371 1180 S HA 0.040 4.512 4.470 0.004 0.000 0.224 1180 S C 2.138 176.480 174.600 -0.430 0.000 1.029 1180 S CA 0.815 58.633 58.200 -0.636 0.000 0.978 1180 S CB -0.216 62.489 63.200 -0.824 0.000 0.833 1180 S HN 0.214 nan 8.310 nan 0.000 0.466 1181 L N 1.176 122.199 121.223 -0.333 0.000 2.093 1181 L HA -0.070 4.273 4.340 0.004 0.000 0.208 1181 L C 2.572 179.342 176.870 -0.166 0.000 1.085 1181 L CA 1.254 55.967 54.840 -0.213 0.000 0.755 1181 L CB -0.354 41.575 42.059 -0.217 0.000 0.904 1181 L HN 0.248 nan 8.230 nan 0.000 0.435 1182 K N -0.386 119.901 120.400 -0.188 0.000 2.099 1182 K HA -0.089 4.234 4.320 0.004 0.000 0.203 1182 K C 1.010 177.545 176.600 -0.109 0.000 1.047 1182 K CA 1.234 57.446 56.287 -0.125 0.000 0.963 1182 K CB 0.295 32.728 32.500 -0.111 0.000 0.759 1182 K HN 0.211 nan 8.250 nan 0.000 0.451 1183 D N -1.062 119.252 120.400 -0.144 0.000 2.407 1183 D HA 0.109 4.751 4.640 0.004 0.000 0.208 1183 D C 0.632 176.865 176.300 -0.111 0.000 1.083 1183 D CA 0.722 54.656 54.000 -0.110 0.000 0.844 1183 D CB 1.047 41.782 40.800 -0.109 0.000 0.967 1183 D HN 0.474 nan 8.370 nan 0.000 0.506 1184 G N 1.647 110.344 108.800 -0.171 0.000 2.179 1184 G HA2 -0.250 3.713 3.960 0.004 0.000 0.257 1184 G HA3 -0.250 3.713 3.960 0.004 0.000 0.257 1184 G C 0.223 175.007 174.900 -0.194 0.000 1.010 1184 G CA 0.549 45.563 45.100 -0.144 0.000 0.736 1184 G HN 0.378 nan 8.290 nan 0.000 0.513 1185 V N 0.005 119.715 119.914 -0.341 0.000 2.472 1185 V HA 0.851 4.973 4.120 0.004 0.000 0.290 1185 V C -0.487 175.355 176.094 -0.421 0.000 1.037 1185 V CA -1.129 61.045 62.300 -0.211 0.000 0.908 1185 V CB 0.990 32.749 31.823 -0.108 0.000 0.985 1185 V HN 0.273 nan 8.190 nan 0.000 0.454 1186 F N 4.499 124.461 119.950 0.021 0.000 2.507 1186 F HA 0.775 5.305 4.527 0.004 0.000 0.325 1186 F C 0.480 176.317 175.800 0.062 0.000 1.116 1186 F CA -0.295 57.735 58.000 0.050 0.000 0.930 1186 F CB 2.278 41.321 39.000 0.070 0.000 1.146 1186 F HN 0.675 nan 8.300 nan 0.000 0.447 1187 T N -2.606 112.083 114.554 0.226 0.000 2.812 1187 T HA 0.217 4.569 4.350 0.004 0.000 0.294 1187 T C 0.609 175.438 174.700 0.215 0.000 1.159 1187 T CA -0.347 61.858 62.100 0.174 0.000 1.008 1187 T CB 1.456 70.383 68.868 0.099 0.000 1.289 1187 T HN 0.478 nan 8.240 nan 0.000 0.514 1188 T N 0.399 115.073 114.554 0.200 0.000 2.803 1188 T HA -0.102 4.251 4.350 0.004 0.000 0.269 1188 T C 1.863 176.697 174.700 0.223 0.000 1.052 1188 T CA 2.331 64.590 62.100 0.266 0.000 1.136 1188 T CB -1.038 67.978 68.868 0.247 0.000 0.864 1188 T HN 0.633 nan 8.240 nan 0.000 0.467 1189 S N 1.130 116.911 115.700 0.134 0.000 2.383 1189 S HA -0.093 4.380 4.470 0.004 0.000 0.227 1189 S C 2.403 177.100 174.600 0.162 0.000 1.026 1189 S CA 1.366 59.622 58.200 0.093 0.000 0.981 1189 S CB -0.401 62.833 63.200 0.057 0.000 0.818 1189 S HN 0.822 nan 8.310 nan 0.000 0.472 1190 S N 1.825 117.631 115.700 0.175 0.000 2.436 1190 S HA -0.073 4.399 4.470 0.004 0.000 0.228 1190 S C 1.248 176.065 174.600 0.362 0.000 1.014 1190 S CA 0.845 59.172 58.200 0.212 0.000 0.950 1190 S CB -0.395 62.856 63.200 0.085 0.000 0.784 1190 S HN 0.244 nan 8.310 nan 0.000 0.504 1191 D N 1.353 121.989 120.400 0.392 0.000 2.144 1191 D HA -0.024 4.618 4.640 0.004 0.000 0.199 1191 D C 1.724 178.369 176.300 0.575 0.000 0.984 1191 D CA 1.053 55.356 54.000 0.505 0.000 0.834 1191 D CB -0.385 40.746 40.800 0.551 0.000 0.955 1191 D HN 0.395 nan 8.370 nan 0.000 0.465 1192 M N -0.229 119.573 119.600 0.337 0.000 2.159 1192 M HA -0.104 4.379 4.480 0.004 0.000 0.263 1192 M C 1.823 178.315 176.300 0.320 0.000 1.063 1192 M CA 1.191 56.540 55.300 0.083 0.000 1.110 1192 M CB -0.545 31.919 32.600 -0.227 0.000 1.374 1192 M HN 0.225 nan 8.290 nan 0.000 0.411 1193 W N 0.457 121.896 121.300 0.231 0.000 2.333 1193 W HA -0.220 4.442 4.660 0.003 0.000 0.316 1193 W C 1.947 178.738 176.519 0.454 0.000 1.215 1193 W CA 2.177 59.731 57.345 0.348 0.000 1.278 1193 W CB -1.031 28.578 29.460 0.248 0.000 1.154 1193 W HN 0.279 nan 8.180 nan 0.000 0.486 1194 S N 0.802 116.931 115.700 0.715 0.000 2.370 1194 S HA -0.252 4.221 4.470 0.004 0.000 0.226 1194 S C 1.559 176.480 174.600 0.535 0.000 1.033 1194 S CA 1.657 60.249 58.200 0.652 0.000 1.011 1194 S CB -1.177 62.388 63.200 0.608 0.000 0.852 1194 S HN 0.330 nan 8.310 nan 0.000 0.457 1195 F N 2.684 122.858 119.950 0.372 0.000 2.091 1195 F HA -0.140 4.389 4.527 0.003 0.000 0.299 1195 F C 2.355 178.247 175.800 0.154 0.000 1.103 1195 F CA 1.430 59.602 58.000 0.286 0.000 1.228 1195 F CB -1.075 38.127 39.000 0.336 0.000 0.984 1195 F HN 0.230 nan 8.300 nan 0.000 0.477 1196 G N -0.067 108.783 108.800 0.084 0.000 2.476 1196 G HA2 -0.278 3.685 3.960 0.004 0.000 0.218 1196 G HA3 -0.278 3.685 3.960 0.004 0.000 0.218 1196 G C 1.723 176.699 174.900 0.126 0.000 1.164 1196 G CA 1.536 46.474 45.100 -0.270 0.000 0.768 1196 G HN 0.367 nan 8.290 nan 0.000 0.560 1197 V N 0.553 120.723 119.914 0.425 0.000 2.407 1197 V HA -0.176 3.946 4.120 0.004 0.000 0.248 1197 V C 3.020 179.309 176.094 0.324 0.000 1.055 1197 V CA 1.492 63.988 62.300 0.326 0.000 1.049 1197 V CB -0.493 31.319 31.823 -0.019 0.000 0.662 1197 V HN 0.262 nan 8.190 nan 0.000 0.455 1198 V N -0.053 120.007 119.914 0.243 0.000 2.343 1198 V HA -0.250 3.872 4.120 0.004 0.000 0.247 1198 V C 2.347 178.443 176.094 0.003 0.000 1.051 1198 V CA 1.902 64.295 62.300 0.155 0.000 1.036 1198 V CB -0.609 31.235 31.823 0.035 0.000 0.654 1198 V HN 0.451 nan 8.190 nan 0.000 0.451 1199 L N -1.455 119.652 121.223 -0.193 0.000 2.079 1199 L HA -0.244 4.099 4.340 0.004 0.000 0.210 1199 L C 2.321 179.186 176.870 -0.009 0.000 1.081 1199 L CA 2.302 57.025 54.840 -0.195 0.000 0.752 1199 L CB -0.574 41.291 42.059 -0.323 0.000 0.896 1199 L HN 0.535 nan 8.230 nan 0.000 0.433 1200 W N 1.307 122.571 121.300 -0.060 0.000 2.388 1200 W HA -0.151 4.511 4.660 0.003 0.000 0.294 1200 W C 2.409 178.929 176.519 0.001 0.000 1.212 1200 W CA 1.349 58.703 57.345 0.015 0.000 1.271 1200 W CB 0.054 29.606 29.460 0.153 0.000 1.126 1200 W HN 0.069 nan 8.180 nan 0.000 0.535 1201 E N 0.296 120.686 120.200 0.317 0.000 2.085 1201 E HA -0.269 4.083 4.350 0.004 0.000 0.194 1201 E C 2.092 178.676 176.600 -0.027 0.000 0.994 1201 E CA 1.961 58.464 56.400 0.172 0.000 0.801 1201 E CB -0.495 29.399 29.700 0.324 0.000 0.743 1201 E HN 0.376 nan 8.360 nan 0.000 0.453 1202 I N 1.014 121.571 120.570 -0.022 0.000 2.179 1202 I HA -0.252 3.920 4.170 0.004 0.000 0.242 1202 I C 2.726 178.767 176.117 -0.127 0.000 1.088 1202 I CA 1.659 62.926 61.300 -0.055 0.000 1.357 1202 I CB -0.468 37.503 38.000 -0.049 0.000 1.051 1202 I HN 0.234 nan 8.210 nan 0.000 0.409 1203 T N -2.973 111.471 114.554 -0.185 0.000 3.088 1203 T HA -0.015 4.337 4.350 0.004 0.000 0.259 1203 T C 1.588 176.095 174.700 -0.321 0.000 1.122 1203 T CA 0.784 62.752 62.100 -0.221 0.000 1.095 1203 T CB -0.226 68.521 68.868 -0.201 0.000 0.930 1203 T HN 0.387 nan 8.240 nan 0.000 0.508 1204 S N 0.926 116.350 115.700 -0.459 0.000 2.540 1204 S HA 0.323 4.796 4.470 0.004 0.000 0.218 1204 S C 0.851 175.262 174.600 -0.314 0.000 0.977 1204 S CA -0.537 57.342 58.200 -0.536 0.000 0.918 1204 S CB -0.831 61.713 63.200 -1.094 0.000 0.806 1204 S HN 0.523 nan 8.310 nan 0.000 0.496 1205 L N 0.625 121.720 121.223 -0.214 0.000 3.660 1205 L HA -0.282 4.060 4.340 0.004 0.000 0.440 1205 L C 0.824 177.646 176.870 -0.081 0.000 1.262 1205 L CA 0.060 54.822 54.840 -0.130 0.000 0.837 1205 L CB -2.506 39.478 42.059 -0.125 0.000 1.689 1205 L HN 0.781 nan 8.230 nan 0.000 0.890 1206 A N -0.890 121.899 122.820 -0.052 0.000 2.739 1206 A HA -0.208 4.115 4.320 0.004 0.000 0.296 1206 A C 0.927 178.569 177.584 0.097 0.000 1.488 1206 A CA 1.648 53.730 52.037 0.075 0.000 0.746 1206 A CB -1.171 17.899 19.000 0.116 0.000 1.047 1206 A HN 0.699 nan 8.150 nan 0.000 0.477 1207 E N -0.661 119.545 120.200 0.010 0.000 2.428 1207 E HA 0.187 4.540 4.350 0.004 0.000 0.257 1207 E C 0.461 177.257 176.600 0.327 0.000 1.197 1207 E CA -0.110 56.350 56.400 0.101 0.000 0.974 1207 E CB 0.276 29.971 29.700 -0.008 0.000 0.976 1207 E HN 0.566 nan 8.360 nan 0.000 0.463 1208 Q N 1.579 121.547 119.800 0.280 0.000 2.288 1208 Q HA 0.175 4.517 4.340 0.004 0.000 0.258 1208 Q C -2.440 173.660 176.000 0.167 0.000 0.957 1208 Q CA -1.757 54.196 55.803 0.250 0.000 0.919 1208 Q CB 0.929 29.775 28.738 0.179 0.000 1.185 1208 Q HN 0.053 nan 8.270 nan 0.000 0.408 1209 P HA 0.048 nan 4.420 nan 0.000 0.275 1209 P C -1.256 175.819 177.300 -0.375 0.000 1.227 1209 P CA 0.077 62.716 63.100 -0.768 0.000 0.781 1209 P CB 0.251 31.270 31.700 -1.135 0.000 0.906 1210 Y N -1.118 118.964 120.300 -0.363 0.000 3.125 1210 Y HA -0.226 4.326 4.550 0.004 0.000 0.200 1210 Y C 0.715 176.536 175.900 -0.133 0.000 1.373 1210 Y CA 0.137 58.097 58.100 -0.232 0.000 1.180 1210 Y CB -2.672 35.659 38.460 -0.215 0.000 1.381 1210 Y HN 0.367 nan 8.280 nan 0.000 0.501 1211 Q N 1.310 121.118 119.800 0.013 0.000 2.332 1211 Q HA 0.470 4.813 4.340 0.004 0.000 0.263 1211 Q C 1.282 177.287 176.000 0.008 0.000 0.979 1211 Q CA 1.265 57.089 55.803 0.036 0.000 0.885 1211 Q CB 1.127 29.902 28.738 0.062 0.000 1.218 1211 Q HN 0.842 nan 8.270 nan 0.000 0.405 1212 G N 2.860 111.664 108.800 0.006 0.000 2.234 1212 G HA2 -0.215 3.748 3.960 0.004 0.000 0.235 1212 G HA3 -0.215 3.748 3.960 0.004 0.000 0.235 1212 G C -0.297 174.583 174.900 -0.034 0.000 0.997 1212 G CA 0.085 45.175 45.100 -0.016 0.000 0.623 1212 G HN 0.525 nan 8.290 nan 0.000 0.514 1213 L N 2.277 123.481 121.223 -0.032 0.000 2.309 1213 L HA 0.603 4.945 4.340 0.004 0.000 0.282 1213 L C 1.300 178.157 176.870 -0.022 0.000 1.036 1213 L CA -0.260 54.548 54.840 -0.053 0.000 0.806 1213 L CB 1.722 43.724 42.059 -0.095 0.000 1.220 1213 L HN 0.424 nan 8.230 nan 0.000 0.429 1214 S N 1.466 117.149 115.700 -0.027 0.000 2.608 1214 S HA 0.144 4.616 4.470 0.004 0.000 0.261 1214 S C 0.910 175.500 174.600 -0.016 0.000 1.314 1214 S CA -0.666 57.528 58.200 -0.010 0.000 0.992 1214 S CB 0.829 64.023 63.200 -0.010 0.000 0.935 1214 S HN 0.607 nan 8.310 nan 0.000 0.564 1215 N N 1.360 120.063 118.700 0.004 0.000 2.069 1215 N HA -0.129 4.613 4.740 0.004 0.000 0.191 1215 N C 1.584 177.082 175.510 -0.020 0.000 1.031 1215 N CA 1.821 54.874 53.050 0.004 0.000 0.852 1215 N CB -0.613 37.892 38.487 0.030 0.000 1.018 1215 N HN 0.779 nan 8.380 nan 0.000 0.423 1216 E N 0.649 120.841 120.200 -0.015 0.000 2.150 1216 E HA -0.120 4.232 4.350 0.004 0.000 0.193 1216 E C 1.908 178.490 176.600 -0.029 0.000 0.985 1216 E CA 0.647 57.036 56.400 -0.019 0.000 0.814 1216 E CB -0.021 29.673 29.700 -0.010 0.000 0.752 1216 E HN 0.473 nan 8.360 nan 0.000 0.466 1217 Q N 0.108 119.885 119.800 -0.037 0.000 2.123 1217 Q HA -0.097 4.246 4.340 0.004 0.000 0.199 1217 Q C 2.345 178.313 176.000 -0.053 0.000 0.966 1217 Q CA 0.994 56.771 55.803 -0.043 0.000 0.845 1217 Q CB 0.154 28.853 28.738 -0.064 0.000 0.907 1217 Q HN 0.133 nan 8.270 nan 0.000 0.439 1218 V N 1.277 121.123 119.914 -0.113 0.000 2.332 1218 V HA -0.277 3.846 4.120 0.004 0.000 0.248 1218 V C 2.211 178.206 176.094 -0.165 0.000 1.055 1218 V CA 1.594 63.755 62.300 -0.232 0.000 1.038 1218 V CB -0.647 30.962 31.823 -0.356 0.000 0.651 1218 V HN 0.340 nan 8.190 nan 0.000 0.450 1219 L N 0.301 121.459 121.223 -0.108 0.000 1.990 1219 L HA -0.229 4.114 4.340 0.004 0.000 0.213 1219 L C 2.431 179.260 176.870 -0.067 0.000 1.072 1219 L CA 2.111 56.898 54.840 -0.089 0.000 0.755 1219 L CB -0.728 41.298 42.059 -0.055 0.000 0.889 1219 L HN 0.223 nan 8.230 nan 0.000 0.432 1220 K N -1.367 119.017 120.400 -0.027 0.000 2.002 1220 K HA -0.204 4.118 4.320 0.004 0.000 0.209 1220 K C 2.116 178.734 176.600 0.031 0.000 1.048 1220 K CA 1.760 58.048 56.287 0.001 0.000 0.930 1220 K CB -0.581 31.929 32.500 0.017 0.000 0.714 1220 K HN 0.289 nan 8.250 nan 0.000 0.438 1221 F N 1.912 121.790 119.950 -0.120 0.000 2.065 1221 F HA -0.263 4.267 4.527 0.004 0.000 0.298 1221 F C 2.012 177.759 175.800 -0.090 0.000 1.112 1221 F CA 1.362 59.292 58.000 -0.116 0.000 1.212 1221 F CB -0.492 38.408 39.000 -0.166 0.000 0.975 1221 F HN -0.264 nan 8.300 nan 0.000 0.476 1222 V N 0.554 120.328 119.914 -0.233 0.000 2.358 1222 V HA -0.321 3.801 4.120 0.004 0.000 0.246 1222 V C 2.518 178.518 176.094 -0.156 0.000 1.047 1222 V CA 2.021 64.154 62.300 -0.279 0.000 1.035 1222 V CB -0.607 31.057 31.823 -0.265 0.000 0.658 1222 V HN 0.378 nan 8.190 nan 0.000 0.452 1223 M N -0.174 119.355 119.600 -0.118 0.000 2.267 1223 M HA -0.193 4.289 4.480 0.004 0.000 0.263 1223 M C 1.613 177.973 176.300 0.099 0.000 1.063 1223 M CA 1.650 56.940 55.300 -0.018 0.000 1.090 1223 M CB -0.468 32.105 32.600 -0.045 0.000 1.392 1223 M HN 0.300 nan 8.290 nan 0.000 0.422 1224 D N -0.710 119.681 120.400 -0.016 0.000 2.328 1224 D HA 0.124 4.766 4.640 0.004 0.000 0.221 1224 D C 1.086 177.307 176.300 -0.131 0.000 1.072 1224 D CA 0.899 54.861 54.000 -0.064 0.000 0.850 1224 D CB 0.132 40.897 40.800 -0.059 0.000 0.922 1224 D HN 0.469 nan 8.370 nan 0.000 0.516 1225 G N -0.833 107.946 108.800 -0.035 0.000 2.163 1225 G HA2 -0.145 3.818 3.960 0.004 0.000 0.213 1225 G HA3 -0.145 3.818 3.960 0.004 0.000 0.213 1225 G C 0.703 175.556 174.900 -0.078 0.000 0.991 1225 G CA -0.119 44.990 45.100 0.015 0.000 0.653 1225 G HN 0.592 nan 8.290 nan 0.000 0.518 1226 G N 0.001 108.478 108.800 -0.539 0.000 2.491 1226 G HA2 0.671 4.633 3.960 0.004 0.000 0.242 1226 G HA3 0.671 4.633 3.960 0.004 0.000 0.242 1226 G C -0.177 174.401 174.900 -0.537 0.000 1.266 1226 G CA 0.484 44.812 45.100 -1.287 0.000 0.844 1226 G HN 1.474 nan 8.290 nan 0.000 0.571 1227 Y N -0.805 119.346 120.300 -0.249 0.000 2.728 1227 Y HA 0.685 5.238 4.550 0.004 0.000 0.330 1227 Y C -0.574 175.267 175.900 -0.097 0.000 1.234 1227 Y CA -1.756 56.255 58.100 -0.150 0.000 1.070 1227 Y CB 0.889 39.211 38.460 -0.230 0.000 1.300 1227 Y HN 0.436 nan 8.280 nan 0.000 0.467 1228 L N 2.399 123.374 121.223 -0.413 0.000 2.417 1228 L HA 0.266 4.608 4.340 0.004 0.000 0.268 1228 L C -0.304 176.586 176.870 0.035 0.000 1.158 1228 L CA -0.280 54.254 54.840 -0.511 0.000 0.819 1228 L CB 0.323 41.632 42.059 -1.251 0.000 1.112 1228 L HN 0.616 nan 8.230 nan 0.000 0.458 1229 D N 0.978 121.432 120.400 0.090 0.000 2.354 1229 D HA 0.132 4.774 4.640 0.004 0.000 0.247 1229 D C -0.114 176.415 176.300 0.381 0.000 1.138 1229 D CA -0.410 53.725 54.000 0.224 0.000 0.958 1229 D CB 0.665 41.546 40.800 0.135 0.000 1.144 1229 D HN 0.276 nan 8.370 nan 0.000 0.458 1230 Q N 0.942 120.913 119.800 0.285 0.000 2.313 1230 Q HA 0.272 4.614 4.340 0.004 0.000 0.266 1230 Q C -2.028 174.043 176.000 0.118 0.000 0.989 1230 Q CA -1.381 54.558 55.803 0.226 0.000 0.890 1230 Q CB -0.006 28.814 28.738 0.136 0.000 1.200 1230 Q HN 0.111 nan 8.270 nan 0.000 0.396 1231 P HA -0.012 nan 4.420 nan 0.000 0.270 1231 P C -0.758 176.487 177.300 -0.092 0.000 1.223 1231 P CA -0.195 62.809 63.100 -0.160 0.000 0.785 1231 P CB 0.504 31.971 31.700 -0.388 0.000 0.923 1232 D N 1.787 122.133 120.400 -0.090 0.000 2.493 1232 D HA -0.043 4.599 4.640 0.004 0.000 0.240 1232 D C 0.592 176.847 176.300 -0.074 0.000 1.142 1232 D CA 0.654 54.615 54.000 -0.065 0.000 0.872 1232 D CB -0.558 40.206 40.800 -0.061 0.000 1.173 1232 D HN 0.408 nan 8.370 nan 0.000 0.467 1233 N N -0.838 117.829 118.700 -0.054 0.000 2.753 1233 N HA -0.239 4.503 4.740 0.004 0.000 0.251 1233 N C 0.032 175.503 175.510 -0.065 0.000 1.097 1233 N CA 0.465 53.483 53.050 -0.054 0.000 0.786 1233 N CB -1.632 36.821 38.487 -0.056 0.000 1.137 1233 N HN 0.512 nan 8.380 nan 0.000 0.566 1234 C N 1.671 120.928 119.300 -0.072 0.000 2.596 1234 C HA 0.181 4.644 4.460 0.004 0.000 0.414 1234 C C -1.463 173.491 174.990 -0.060 0.000 1.396 1234 C CA -1.419 57.550 59.018 -0.081 0.000 1.698 1234 C CB -0.392 27.298 27.740 -0.084 0.000 2.572 1234 C HN 0.241 nan 8.230 nan 0.000 0.604 1235 P HA 0.097 nan 4.420 nan 0.000 0.265 1235 P C 0.700 177.970 177.300 -0.049 0.000 1.193 1235 P CA 0.330 63.398 63.100 -0.053 0.000 0.765 1235 P CB 0.389 32.055 31.700 -0.058 0.000 0.823 1236 E N 2.143 122.319 120.200 -0.040 0.000 2.085 1236 E HA -0.255 4.097 4.350 0.004 0.000 0.194 1236 E C 1.875 178.447 176.600 -0.046 0.000 0.994 1236 E CA 1.079 57.458 56.400 -0.036 0.000 0.801 1236 E CB 0.009 29.692 29.700 -0.028 0.000 0.743 1236 E HN 0.380 nan 8.360 nan 0.000 0.453 1237 R N 0.568 121.039 120.500 -0.049 0.000 2.127 1237 R HA -0.139 4.203 4.340 0.004 0.000 0.238 1237 R C 2.141 178.399 176.300 -0.069 0.000 1.134 1237 R CA 1.168 57.236 56.100 -0.054 0.000 0.975 1237 R CB 0.059 30.329 30.300 -0.049 0.000 0.865 1237 R HN 0.045 nan 8.270 nan 0.000 0.447 1238 V N -0.303 119.566 119.914 -0.075 0.000 2.407 1238 V HA -0.141 3.981 4.120 0.004 0.000 0.245 1238 V C 2.187 178.205 176.094 -0.126 0.000 1.041 1238 V CA 1.978 64.220 62.300 -0.097 0.000 1.040 1238 V CB -0.527 31.238 31.823 -0.096 0.000 0.671 1238 V HN 0.361 nan 8.190 nan 0.000 0.455 1239 T N 0.257 114.753 114.554 -0.097 0.000 2.624 1239 T HA -0.259 4.094 4.350 0.004 0.000 0.268 1239 T C 1.673 176.293 174.700 -0.133 0.000 1.041 1239 T CA 2.096 64.142 62.100 -0.091 0.000 1.159 1239 T CB -0.462 68.385 68.868 -0.034 0.000 0.863 1239 T HN 0.475 nan 8.240 nan 0.000 0.434 1240 D N 0.815 121.152 120.400 -0.105 0.000 2.116 1240 D HA -0.056 4.587 4.640 0.004 0.000 0.193 1240 D C 2.168 178.375 176.300 -0.156 0.000 0.998 1240 D CA 0.744 54.679 54.000 -0.108 0.000 0.836 1240 D CB -0.525 40.229 40.800 -0.076 0.000 0.951 1240 D HN 0.278 nan 8.370 nan 0.000 0.449 1241 L N 0.035 121.163 121.223 -0.159 0.000 1.989 1241 L HA -0.187 4.156 4.340 0.004 0.000 0.211 1241 L C 2.623 179.300 176.870 -0.321 0.000 1.071 1241 L CA 0.959 55.694 54.840 -0.175 0.000 0.749 1241 L CB -0.224 41.771 42.059 -0.106 0.000 0.890 1241 L HN 0.091 nan 8.230 nan 0.000 0.431 1242 M N -0.684 118.641 119.600 -0.458 0.000 2.088 1242 M HA -0.336 4.146 4.480 0.004 0.000 0.256 1242 M C 2.803 178.402 176.300 -1.168 0.000 1.071 1242 M CA 2.694 57.425 55.300 -0.949 0.000 1.097 1242 M CB -0.456 31.602 32.600 -0.903 0.000 1.315 1242 M HN 0.310 nan 8.290 nan 0.000 0.406 1243 R N -0.260 119.863 120.500 -0.629 0.000 2.105 1243 R HA -0.140 4.202 4.340 0.004 0.000 0.239 1243 R C 1.607 177.710 176.300 -0.328 0.000 1.135 1243 R CA 1.895 57.752 56.100 -0.406 0.000 0.967 1243 R CB -1.468 28.698 30.300 -0.224 0.000 0.861 1243 R HN 0.377 nan 8.270 nan 0.000 0.442 1244 M N 0.009 119.435 119.600 -0.290 0.000 2.229 1244 M HA -0.059 4.423 4.480 0.004 0.000 0.264 1244 M C 2.425 178.604 176.300 -0.202 0.000 1.063 1244 M CA 1.014 56.197 55.300 -0.194 0.000 1.114 1244 M CB -1.101 31.408 32.600 -0.152 0.000 1.387 1244 M HN 0.498 nan 8.290 nan 0.000 0.420 1245 C N -1.307 117.778 119.300 -0.359 0.000 2.448 1245 C HA -0.100 4.362 4.460 0.004 0.000 0.280 1245 C C 1.729 176.602 174.990 -0.194 0.000 1.398 1245 C CA 0.030 58.858 59.018 -0.317 0.000 1.774 1245 C CB -0.973 26.480 27.740 -0.477 0.000 1.888 1245 C HN 0.605 nan 8.230 nan 0.000 0.519 1246 W N 0.854 121.936 121.300 -0.363 0.000 3.067 1246 W HA 0.295 4.958 4.660 0.004 0.000 0.417 1246 W C 0.397 176.865 176.519 -0.086 0.000 1.029 1246 W CA -0.771 56.227 57.345 -0.579 0.000 1.992 1246 W CB -1.119 27.781 29.460 -0.933 0.000 1.122 1246 W HN 0.399 nan 8.180 nan 0.000 0.681 1247 Q N 0.642 120.543 119.800 0.169 0.000 2.286 1247 Q HA -0.104 4.239 4.340 0.004 0.000 0.290 1247 Q C 1.122 177.328 176.000 0.344 0.000 1.049 1247 Q CA 0.329 56.250 55.803 0.197 0.000 0.923 1247 Q CB 0.644 29.448 28.738 0.110 0.000 1.183 1247 Q HN 0.189 nan 8.270 nan 0.000 0.383 1248 F N 2.970 123.039 119.950 0.197 0.000 2.134 1248 F HA -0.167 4.363 4.527 0.005 0.000 0.299 1248 F C 1.074 176.933 175.800 0.098 0.000 1.097 1248 F CA 0.987 59.090 58.000 0.171 0.000 1.264 1248 F CB 0.247 39.307 39.000 0.099 0.000 1.001 1248 F HN 0.499 nan 8.300 nan 0.000 0.479 1249 N N 1.723 120.551 118.700 0.213 0.000 2.411 1249 N HA 0.084 4.826 4.740 0.004 0.000 0.259 1249 N C -1.811 173.727 175.510 0.047 0.000 1.103 1249 N CA -2.225 50.885 53.050 0.100 0.000 0.954 1249 N CB 0.979 39.545 38.487 0.132 0.000 1.085 1249 N HN 0.013 nan 8.380 nan 0.000 0.485 1250 P HA -0.121 nan 4.420 nan 0.000 0.219 1250 P C 0.437 177.751 177.300 0.023 0.000 1.146 1250 P CA 1.064 64.169 63.100 0.009 0.000 0.808 1250 P CB 0.419 32.101 31.700 -0.029 0.000 0.779 1251 N N -0.644 118.068 118.700 0.021 0.000 2.453 1251 N HA -0.029 4.713 4.740 0.004 0.000 0.183 1251 N C 1.443 176.966 175.510 0.021 0.000 1.041 1251 N CA 0.977 54.039 53.050 0.020 0.000 0.900 1251 N CB -0.268 38.232 38.487 0.021 0.000 0.961 1251 N HN 0.237 nan 8.380 nan 0.000 0.443 1252 M N 0.163 119.782 119.600 0.032 0.000 2.441 1252 M HA 0.124 4.606 4.480 0.004 0.000 0.244 1252 M C 0.401 176.707 176.300 0.011 0.000 1.122 1252 M CA 0.146 55.462 55.300 0.026 0.000 1.041 1252 M CB 0.042 32.669 32.600 0.044 0.000 1.438 1252 M HN -0.060 nan 8.290 nan 0.000 0.484 1253 R N 1.709 122.216 120.500 0.012 0.000 2.582 1253 R HA 0.279 4.621 4.340 0.004 0.000 0.271 1253 R C -2.041 174.222 176.300 -0.061 0.000 1.078 1253 R CA -1.327 54.763 56.100 -0.017 0.000 1.127 1253 R CB -0.126 30.181 30.300 0.012 0.000 1.038 1253 R HN 0.033 nan 8.270 nan 0.000 0.500 1254 P HA 0.010 nan 4.420 nan 0.000 0.274 1254 P C -0.388 176.796 177.300 -0.193 0.000 1.256 1254 P CA -0.320 62.703 63.100 -0.128 0.000 0.795 1254 P CB 0.530 32.144 31.700 -0.144 0.000 1.038 1255 T N -2.943 111.519 114.554 -0.153 0.000 2.912 1255 T HA 0.330 4.683 4.350 0.004 0.000 0.280 1255 T C 0.997 175.557 174.700 -0.233 0.000 0.989 1255 T CA -0.329 61.672 62.100 -0.165 0.000 0.995 1255 T CB 0.118 68.979 68.868 -0.011 0.000 1.077 1255 T HN 0.085 nan 8.240 nan 0.000 0.531 1256 F N -0.001 119.921 119.950 -0.047 0.000 2.186 1256 F HA 0.154 4.686 4.527 0.007 0.000 0.299 1256 F C 2.239 178.033 175.800 -0.011 0.000 1.090 1256 F CA 0.776 58.711 58.000 -0.107 0.000 1.307 1256 F CB -0.762 38.192 39.000 -0.076 0.000 1.019 1256 F HN 0.402 nan 8.300 nan 0.000 0.489 1257 L N -0.296 121.085 121.223 0.264 0.000 2.083 1257 L HA -0.222 4.120 4.340 0.004 0.000 0.209 1257 L C 2.310 179.299 176.870 0.197 0.000 1.083 1257 L CA 1.450 56.479 54.840 0.316 0.000 0.752 1257 L CB -0.669 41.576 42.059 0.310 0.000 0.899 1257 L HN 0.169 nan 8.230 nan 0.000 0.433 1258 E N 0.040 120.290 120.200 0.082 0.000 2.110 1258 E HA -0.219 4.133 4.350 0.004 0.000 0.193 1258 E C 2.254 178.824 176.600 -0.051 0.000 0.988 1258 E CA 1.037 57.446 56.400 0.015 0.000 0.804 1258 E CB 0.031 29.718 29.700 -0.023 0.000 0.745 1258 E HN 0.397 nan 8.360 nan 0.000 0.458 1259 I N 0.745 121.257 120.570 -0.096 0.000 2.142 1259 I HA -0.213 3.960 4.170 0.004 0.000 0.240 1259 I C 2.489 178.517 176.117 -0.149 0.000 1.078 1259 I CA 1.026 62.249 61.300 -0.127 0.000 1.343 1259 I CB -1.189 36.679 38.000 -0.220 0.000 1.046 1259 I HN 0.010 nan 8.210 nan 0.000 0.405 1260 V N 1.538 121.341 119.914 -0.185 0.000 2.295 1260 V HA -0.301 3.821 4.120 0.004 0.000 0.246 1260 V C 2.359 178.085 176.094 -0.613 0.000 1.049 1260 V CA 2.314 64.374 62.300 -0.400 0.000 1.024 1260 V CB -1.154 30.388 31.823 -0.468 0.000 0.648 1260 V HN 0.439 nan 8.190 nan 0.000 0.447 1261 N N 0.268 118.654 118.700 -0.523 0.000 2.104 1261 N HA -0.214 4.528 4.740 0.004 0.000 0.190 1261 N C 1.671 177.095 175.510 -0.143 0.000 1.024 1261 N CA 1.644 54.538 53.050 -0.260 0.000 0.853 1261 N CB -0.327 38.219 38.487 0.099 0.000 1.008 1261 N HN 0.377 nan 8.380 nan 0.000 0.424 1262 L N 0.072 121.224 121.223 -0.118 0.000 2.079 1262 L HA 0.006 4.348 4.340 0.004 0.000 0.210 1262 L C 1.515 178.326 176.870 -0.099 0.000 1.081 1262 L CA 1.516 56.306 54.840 -0.083 0.000 0.752 1262 L CB -0.171 41.845 42.059 -0.071 0.000 0.896 1262 L HN 0.316 nan 8.230 nan 0.000 0.433 1263 L N -0.731 120.401 121.223 -0.152 0.000 2.607 1263 L HA 0.037 4.379 4.340 0.004 0.000 0.228 1263 L C 2.226 178.985 176.870 -0.184 0.000 1.123 1263 L CA 0.278 55.023 54.840 -0.159 0.000 0.890 1263 L CB -0.520 41.431 42.059 -0.180 0.000 1.103 1263 L HN 0.299 nan 8.230 nan 0.000 0.468 1264 K N -0.351 119.942 120.400 -0.178 0.000 2.280 1264 K HA -0.158 4.164 4.320 0.004 0.000 0.202 1264 K C 0.596 177.183 176.600 -0.021 0.000 1.047 1264 K CA 1.407 57.627 56.287 -0.113 0.000 0.942 1264 K CB -0.041 32.438 32.500 -0.035 0.000 0.739 1264 K HN 0.223 nan 8.250 nan 0.000 0.457 1265 D N 1.232 121.615 120.400 -0.029 0.000 2.350 1265 D HA 0.000 4.643 4.640 0.004 0.000 0.213 1265 D C 0.085 176.365 176.300 -0.034 0.000 1.031 1265 D CA 0.472 54.466 54.000 -0.010 0.000 0.861 1265 D CB 0.321 41.121 40.800 -0.001 0.000 0.926 1265 D HN 0.285 nan 8.370 nan 0.000 0.520 1266 D N 0.709 121.069 120.400 -0.066 0.000 2.643 1266 D HA 0.179 4.822 4.640 0.004 0.000 0.244 1266 D C 0.317 176.567 176.300 -0.083 0.000 1.257 1266 D CA 0.039 53.999 54.000 -0.067 0.000 0.831 1266 D CB 1.288 42.046 40.800 -0.069 0.000 1.043 1266 D HN 0.139 nan 8.370 nan 0.000 0.488 1267 L N -0.263 120.909 121.223 -0.085 0.000 2.309 1267 L HA 0.296 4.638 4.340 0.004 0.000 0.261 1267 L C 0.533 177.417 176.870 0.024 0.000 1.021 1267 L CA -1.067 53.721 54.840 -0.086 0.000 0.823 1267 L CB 2.322 44.215 42.059 -0.277 0.000 1.366 1267 L HN 0.073 nan 8.230 nan 0.000 0.423 1268 H N 2.292 121.366 119.070 0.006 0.000 2.972 1268 H HA 0.006 4.564 4.556 0.003 0.000 0.343 1268 H C -1.918 173.462 175.328 0.087 0.000 1.054 1268 H CA -0.701 55.380 56.048 0.055 0.000 1.412 1268 H CB 1.560 31.374 29.762 0.087 0.000 1.385 1268 H HN 0.296 nan 8.280 nan 0.000 0.600 1269 P HA -0.156 nan 4.420 nan 0.000 0.221 1269 P C 1.405 178.749 177.300 0.073 0.000 1.145 1269 P CA 1.714 64.739 63.100 -0.125 0.000 0.795 1269 P CB 0.075 31.634 31.700 -0.236 0.000 0.775 1270 S N -2.228 113.681 115.700 0.349 0.000 2.515 1270 S HA -0.108 4.365 4.470 0.004 0.000 0.231 1270 S C 1.762 176.478 174.600 0.194 0.000 0.987 1270 S CA 0.052 58.414 58.200 0.271 0.000 0.936 1270 S CB -1.542 61.834 63.200 0.293 0.000 0.766 1270 S HN 0.020 nan 8.310 nan 0.000 0.528 1271 F N 4.029 124.062 119.950 0.138 0.000 2.095 1271 F HA 0.051 4.588 4.527 0.017 0.000 0.298 1271 F C -1.163 174.679 175.800 0.070 0.000 1.104 1271 F CA 1.046 59.128 58.000 0.137 0.000 1.232 1271 F CB -1.128 37.967 39.000 0.158 0.000 0.987 1271 F HN 0.220 nan 8.300 nan 0.000 0.475 1272 P HA -0.129 nan 4.420 nan 0.000 0.226 1272 P C 0.856 178.064 177.300 -0.153 0.000 1.153 1272 P CA 1.520 64.391 63.100 -0.382 0.000 0.777 1272 P CB -0.138 31.205 31.700 -0.594 0.000 0.794 1273 E N -0.672 119.463 120.200 -0.110 0.000 2.285 1273 E HA -0.056 4.296 4.350 0.004 0.000 0.194 1273 E C 1.560 178.074 176.600 -0.145 0.000 0.997 1273 E CA 1.157 57.499 56.400 -0.096 0.000 0.845 1273 E CB -0.069 29.589 29.700 -0.071 0.000 0.782 1273 E HN 0.244 nan 8.360 nan 0.000 0.491 1274 V N -1.972 117.809 119.914 -0.221 0.000 3.612 1274 V HA 0.143 4.266 4.120 0.004 0.000 0.268 1274 V C 0.854 176.789 176.094 -0.265 0.000 1.365 1274 V CA -0.149 61.947 62.300 -0.341 0.000 1.044 1274 V CB 0.466 31.852 31.823 -0.728 0.000 0.820 1274 V HN 0.089 nan 8.190 nan 0.000 0.444 1275 S N 0.315 115.857 115.700 -0.264 0.000 2.576 1275 S HA 0.296 4.768 4.470 0.004 0.000 0.276 1275 S C 0.706 175.350 174.600 0.074 0.000 1.339 1275 S CA 0.070 58.159 58.200 -0.185 0.000 1.039 1275 S CB 0.825 63.697 63.200 -0.547 0.000 0.902 1275 S HN 0.491 nan 8.310 nan 0.000 0.516 1276 F N 3.621 123.622 119.950 0.084 0.000 2.186 1276 F HA -0.006 4.518 4.527 -0.005 0.000 0.299 1276 F C 1.549 177.442 175.800 0.155 0.000 1.090 1276 F CA 1.108 59.187 58.000 0.132 0.000 1.307 1276 F CB -0.619 38.512 39.000 0.217 0.000 1.019 1276 F HN 0.771 nan 8.300 nan 0.000 0.489 1277 F N 1.085 120.915 119.950 -0.201 0.000 2.065 1277 F HA -0.291 4.236 4.527 -0.000 0.000 0.298 1277 F C 2.181 177.730 175.800 -0.418 0.000 1.112 1277 F CA 2.474 60.260 58.000 -0.357 0.000 1.212 1277 F CB -0.773 38.135 39.000 -0.154 0.000 0.975 1277 F HN 0.071 nan 8.300 nan 0.000 0.476 1278 H N -0.694 118.373 119.070 -0.004 0.000 2.547 1278 H HA 0.161 4.718 4.556 0.002 0.000 0.266 1278 H C 0.880 176.127 175.328 -0.134 0.000 0.988 1278 H CA 0.285 56.295 56.048 -0.064 0.000 1.147 1278 H CB -0.318 29.492 29.762 0.079 0.000 1.365 1278 H HN 0.129 nan 8.280 nan 0.000 0.589 1279 S N -0.186 115.449 115.700 -0.109 0.000 2.610 1279 S HA 0.277 4.749 4.470 0.004 0.000 0.273 1279 S C 1.665 176.199 174.600 -0.110 0.000 1.274 1279 S CA -0.129 58.029 58.200 -0.071 0.000 1.023 1279 S CB 1.547 64.744 63.200 -0.004 0.000 0.962 1279 S HN 0.489 nan 8.310 nan 0.000 0.523 1280 E N 0.619 120.795 120.200 -0.040 0.000 2.209 1280 E HA -0.190 4.162 4.350 0.004 0.000 0.196 1280 E C 1.679 178.268 176.600 -0.018 0.000 0.993 1280 E CA 1.735 58.116 56.400 -0.032 0.000 0.819 1280 E CB -1.028 28.672 29.700 -0.000 0.000 0.745 1280 E HN 0.946 nan 8.360 nan 0.000 0.477 1281 E N 0.176 120.394 120.200 0.030 0.000 2.208 1281 E HA -0.125 4.227 4.350 0.004 0.000 0.193 1281 E C 0.811 177.469 176.600 0.098 0.000 0.988 1281 E CA 0.476 56.959 56.400 0.140 0.000 0.828 1281 E CB -0.064 29.837 29.700 0.335 0.000 0.763 1281 E HN 0.391 nan 8.360 nan 0.000 0.478 1282 N N 0.798 119.351 118.700 -0.245 0.000 2.671 1282 N HA 0.063 4.805 4.740 0.004 0.000 0.274 1282 N C -0.918 174.464 175.510 -0.213 0.000 1.188 1282 N CA 0.258 53.039 53.050 -0.449 0.000 1.065 1282 N CB 0.157 38.038 38.487 -1.011 0.000 1.415 1282 N HN 0.131 nan 8.380 nan 0.000 0.511 1283 K N 0.000 120.366 120.400 -0.057 0.000 2.780 1283 K HA 0.000 4.322 4.320 0.004 0.000 0.191 1283 K CA 0.000 56.263 56.287 -0.041 0.000 0.838 1283 K CB 0.000 32.494 32.500 -0.011 0.000 1.064 1283 K HN 0.000 nan 8.250 nan 0.000 0.543