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 1m7n_1_A DATA FIRST_RESID 979 DATA SEQUENCE SAADVYVPDE WEVAREKITM SRELGQGSFG MVYEGVAKGV VKDEPETRVA DATA SEQUENCE IKTVNEAASM RERIEFLNEA SVMKEFNCHH VVRLLGVVSQ GQPTLVIMEL DATA SEQUENCE MTRGDLKSYL RSLRPXXXXX XVLAPPSLSK MIQMAGEIAD GMAYLNANKF DATA SEQUENCE VHRDLAARNC MVAEDFTVKI GDFGMTRDIY ETDYYRKGGK GLLPVRWMSP DATA SEQUENCE ESLKDGVFTT YSDVWSFGVV LWEIATLAEQ PYQGLSNEQV LRFVMEGGLL DATA SEQUENCE DKPDNCPDML FELMRMCWQY NPKMRPSFLE IISSIKEEME PGFREVSFYY DATA SEQUENCE SEENK 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 979 S HA 0.000 nan 4.470 nan 0.000 0.327 979 S C 0.000 174.597 174.600 -0.005 0.000 1.055 979 S CA 0.000 58.197 58.200 -0.005 0.000 1.107 979 S CB 0.000 63.198 63.200 -0.003 0.000 0.593 980 A N 0.682 123.499 122.820 -0.006 0.000 2.351 980 A HA 0.836 5.156 4.320 -0.000 0.000 0.257 980 A C 0.820 178.404 177.584 -0.001 0.000 1.087 980 A CA -0.053 51.980 52.037 -0.006 0.000 0.798 980 A CB -0.228 18.767 19.000 -0.009 0.000 1.033 980 A HN 1.993 nan 8.150 nan 0.000 0.488 981 A N 0.663 123.482 122.820 -0.000 0.000 2.296 981 A HA 0.480 4.800 4.320 -0.000 0.000 0.264 981 A C -0.323 177.268 177.584 0.013 0.000 1.097 981 A CA -0.398 51.642 52.037 0.005 0.000 0.811 981 A CB 0.108 19.110 19.000 0.003 0.000 1.072 981 A HN 0.709 nan 8.150 nan 0.000 0.495 982 D N 1.059 121.470 120.400 0.019 0.000 2.639 982 D HA 0.393 5.032 4.640 -0.000 0.000 0.233 982 D C -0.219 176.104 176.300 0.039 0.000 1.161 982 D CA 0.357 54.374 54.000 0.029 0.000 1.003 982 D CB 0.042 40.859 40.800 0.028 0.000 1.034 982 D HN 0.510 nan 8.370 nan 0.000 0.514 983 V N -1.453 118.490 119.914 0.048 0.000 3.188 983 V HA 0.604 4.724 4.120 -0.000 0.000 0.305 983 V C -1.538 174.624 176.094 0.113 0.000 1.232 983 V CA -1.221 61.118 62.300 0.065 0.000 1.043 983 V CB 2.586 34.427 31.823 0.030 0.000 1.068 983 V HN 0.127 nan 8.190 nan 0.000 0.439 984 Y N 1.051 121.343 120.300 -0.013 0.000 2.331 984 Y HA 0.758 5.308 4.550 -0.000 0.000 0.326 984 Y C -0.911 174.983 175.900 -0.010 0.000 1.020 984 Y CA -0.784 57.304 58.100 -0.020 0.000 1.136 984 Y CB 1.982 40.428 38.460 -0.025 0.000 1.157 984 Y HN 0.673 nan 8.280 nan 0.000 0.444 985 V N 8.502 128.062 119.914 -0.590 0.000 2.385 985 V HA 0.313 4.432 4.120 -0.000 0.000 0.269 985 V C -2.162 173.506 176.094 -0.710 0.000 1.043 985 V CA -1.881 60.146 62.300 -0.456 0.000 0.906 985 V CB 0.702 32.367 31.823 -0.263 0.000 0.995 985 V HN 0.705 nan 8.190 nan 0.000 0.467 986 P HA 0.172 nan 4.420 nan 0.000 0.266 986 P C -0.785 176.445 177.300 -0.116 0.000 1.215 986 P CA 0.001 62.986 63.100 -0.191 0.000 0.763 986 P CB 0.525 32.234 31.700 0.015 0.000 0.806 987 D N 1.713 122.092 120.400 -0.036 0.000 2.577 987 D HA 0.112 4.752 4.640 -0.000 0.000 0.248 987 D C 0.772 177.104 176.300 0.054 0.000 1.181 987 D CA -0.413 53.596 54.000 0.016 0.000 1.083 987 D CB -0.095 40.745 40.800 0.066 0.000 1.198 987 D HN 0.245 nan 8.370 nan 0.000 0.626 988 E N -0.803 119.403 120.200 0.009 0.000 2.463 988 E HA -0.010 4.340 4.350 -0.000 0.000 0.191 988 E C 0.520 177.036 176.600 -0.140 0.000 1.083 988 E CA -0.004 56.345 56.400 -0.085 0.000 0.872 988 E CB -0.783 28.814 29.700 -0.172 0.000 0.966 988 E HN 0.594 nan 8.360 nan 0.000 0.491 989 W N 1.037 122.349 121.300 0.019 0.000 2.996 989 W HA 0.180 4.839 4.660 -0.001 0.000 0.270 989 W C 0.616 177.157 176.519 0.037 0.000 1.280 989 W CA -0.492 56.869 57.345 0.026 0.000 1.549 989 W CB 0.488 29.969 29.460 0.035 0.000 1.079 989 W HN -0.044 nan 8.180 nan 0.000 0.629 990 E N 1.175 121.530 120.200 0.257 0.000 2.480 990 E HA 0.102 4.452 4.350 -0.000 0.000 0.258 990 E C -0.604 176.063 176.600 0.112 0.000 0.984 990 E CA 0.390 56.898 56.400 0.181 0.000 0.930 990 E CB 0.459 30.248 29.700 0.149 0.000 0.936 990 E HN -0.225 nan 8.360 nan 0.000 0.466 991 V N 3.766 123.739 119.914 0.097 0.000 2.555 991 V HA 0.575 4.695 4.120 -0.000 0.000 0.302 991 V C -0.052 176.068 176.094 0.044 0.000 1.038 991 V CA -0.799 61.539 62.300 0.062 0.000 0.887 991 V CB 1.734 33.596 31.823 0.066 0.000 0.991 991 V HN 0.866 nan 8.190 nan 0.000 0.434 992 A N 3.816 126.653 122.820 0.028 0.000 2.484 992 A HA 0.219 4.539 4.320 -0.000 0.000 0.268 992 A C 1.473 179.066 177.584 0.014 0.000 1.114 992 A CA 0.124 52.172 52.037 0.019 0.000 0.780 992 A CB -0.322 18.685 19.000 0.011 0.000 1.061 992 A HN 0.982 nan 8.150 nan 0.000 0.505 993 R N 2.114 122.622 120.500 0.012 0.000 2.133 993 R HA -0.199 4.140 4.340 -0.000 0.000 0.247 993 R C 1.506 177.804 176.300 -0.005 0.000 1.151 993 R CA 2.139 58.241 56.100 0.002 0.000 0.971 993 R CB -0.073 30.226 30.300 -0.003 0.000 0.866 993 R HN 0.882 nan 8.270 nan 0.000 0.447 994 E N 0.377 120.576 120.200 -0.003 0.000 2.515 994 E HA -0.184 4.166 4.350 -0.000 0.000 0.201 994 E C 0.750 177.347 176.600 -0.005 0.000 1.071 994 E CA 0.907 57.303 56.400 -0.006 0.000 0.880 994 E CB -0.017 29.680 29.700 -0.004 0.000 0.828 994 E HN 0.418 nan 8.360 nan 0.000 0.540 995 K N 0.487 120.887 120.400 -0.001 0.000 2.387 995 K HA 0.279 4.598 4.320 -0.000 0.000 0.198 995 K C 0.321 176.921 176.600 -0.000 0.000 1.022 995 K CA -0.019 56.269 56.287 0.001 0.000 1.128 995 K CB 0.467 32.970 32.500 0.005 0.000 0.853 995 K HN 0.084 nan 8.250 nan 0.000 0.523 996 I N 0.543 121.109 120.570 -0.006 0.000 2.693 996 I HA 0.214 4.384 4.170 -0.000 0.000 0.303 996 I C -0.163 175.940 176.117 -0.023 0.000 1.025 996 I CA -0.866 60.428 61.300 -0.011 0.000 1.086 996 I CB 2.295 40.286 38.000 -0.015 0.000 1.268 996 I HN -0.076 nan 8.210 nan 0.000 0.440 997 T N 2.158 116.698 114.554 -0.024 0.000 2.933 997 T HA 0.599 4.948 4.350 -0.000 0.000 0.305 997 T C -0.732 173.946 174.700 -0.036 0.000 1.092 997 T CA -1.012 61.070 62.100 -0.031 0.000 1.008 997 T CB 1.670 70.529 68.868 -0.015 0.000 1.102 997 T HN 0.254 nan 8.240 nan 0.000 0.469 998 M N 2.447 122.010 119.600 -0.061 0.000 2.238 998 M HA 0.459 4.939 4.480 -0.000 0.000 0.350 998 M C 0.472 176.783 176.300 0.019 0.000 1.138 998 M CA -0.682 54.584 55.300 -0.058 0.000 1.040 998 M CB 1.075 33.542 32.600 -0.222 0.000 1.639 998 M HN 0.808 nan 8.290 nan 0.000 0.451 999 S N 2.210 117.954 115.700 0.074 0.000 2.502 999 S HA 0.245 4.715 4.470 -0.000 0.000 0.228 999 S C 0.468 175.127 174.600 0.098 0.000 1.061 999 S CA 0.048 58.289 58.200 0.068 0.000 0.935 999 S CB 0.670 63.900 63.200 0.050 0.000 0.809 999 S HN 0.798 nan 8.310 nan 0.000 0.510 1000 R N 0.503 121.099 120.500 0.160 0.000 2.774 1000 R HA 0.348 4.688 4.340 -0.000 0.000 0.279 1000 R C -2.046 174.314 176.300 0.101 0.000 1.022 1000 R CA -0.842 55.339 56.100 0.136 0.000 0.855 1000 R CB 0.734 31.067 30.300 0.054 0.000 1.279 1000 R HN -0.012 nan 8.270 nan 0.000 0.485 1001 E N 0.568 120.725 120.200 -0.072 0.000 2.349 1001 E HA 0.254 4.604 4.350 -0.000 0.000 0.262 1001 E C 0.088 176.572 176.600 -0.193 0.000 1.088 1001 E CA -0.360 55.835 56.400 -0.342 0.000 0.899 1001 E CB 1.155 30.656 29.700 -0.332 0.000 1.044 1001 E HN 0.450 nan 8.360 nan 0.000 0.420 1002 L N 0.486 121.576 121.223 -0.222 0.000 3.039 1002 L HA 0.332 4.672 4.340 -0.000 0.000 0.269 1002 L C 0.472 177.277 176.870 -0.109 0.000 1.169 1002 L CA -0.032 54.738 54.840 -0.118 0.000 0.986 1002 L CB 0.865 42.876 42.059 -0.080 0.000 1.377 1002 L HN 0.757 nan 8.230 nan 0.000 0.575 1003 G N 0.966 109.676 108.800 -0.150 0.000 2.931 1003 G HA2 -0.082 3.877 3.960 -0.000 0.000 0.675 1003 G HA3 -0.082 3.877 3.960 -0.000 0.000 0.675 1003 G C -0.947 173.884 174.900 -0.114 0.000 1.339 1003 G CA -0.923 44.109 45.100 -0.113 0.000 0.866 1003 G HN -0.035 nan 8.290 nan 0.000 0.616 1004 Q N -0.007 119.732 119.800 -0.101 0.000 2.354 1004 Q HA 0.495 4.835 4.340 -0.000 0.000 0.310 1004 Q C 0.966 176.931 176.000 -0.059 0.000 1.104 1004 Q CA 1.927 57.681 55.803 -0.083 0.000 0.968 1004 Q CB 0.637 29.334 28.738 -0.068 0.000 1.251 1004 Q HN 1.507 nan 8.270 nan 0.000 0.411 1005 G N 0.722 109.497 108.800 -0.042 0.000 2.816 1005 G HA2 0.374 4.333 3.960 -0.000 0.000 0.288 1005 G HA3 0.374 4.333 3.960 -0.000 0.000 0.288 1005 G C 0.203 175.087 174.900 -0.027 0.000 1.334 1005 G CA -0.146 44.942 45.100 -0.020 0.000 0.978 1005 G HN 0.653 nan 8.290 nan 0.000 0.493 1006 S N -0.684 115.001 115.700 -0.025 0.000 2.380 1006 S HA -0.195 4.275 4.470 -0.000 0.000 0.229 1006 S C 1.831 176.281 174.600 -0.250 0.000 1.050 1006 S CA 2.089 60.203 58.200 -0.143 0.000 1.100 1006 S CB -0.413 62.705 63.200 -0.137 0.000 0.984 1006 S HN 0.429 nan 8.310 nan 0.000 0.434 1007 F N 1.047 120.974 119.950 -0.038 0.000 2.743 1007 F HA 0.389 4.916 4.527 -0.000 0.000 0.297 1007 F C 1.426 177.114 175.800 -0.185 0.000 1.131 1007 F CA 0.495 58.410 58.000 -0.143 0.000 1.426 1007 F CB 0.291 39.095 39.000 -0.326 0.000 1.116 1007 F HN 0.407 nan 8.300 nan 0.000 0.583 1008 G N -0.415 108.396 108.800 0.018 0.000 2.356 1008 G HA2 0.204 4.163 3.960 -0.000 0.000 0.288 1008 G HA3 0.204 4.163 3.960 -0.000 0.000 0.288 1008 G C -1.399 173.494 174.900 -0.011 0.000 1.302 1008 G CA -1.185 43.905 45.100 -0.016 0.000 0.887 1008 G HN -0.133 nan 8.290 nan 0.000 0.521 1009 M N 0.609 120.203 119.600 -0.011 0.000 2.251 1009 M HA 0.470 4.949 4.480 -0.000 0.000 0.343 1009 M C 0.080 176.358 176.300 -0.036 0.000 1.245 1009 M CA 0.263 55.516 55.300 -0.078 0.000 1.061 1009 M CB 0.558 33.106 32.600 -0.087 0.000 1.723 1009 M HN 0.529 nan 8.290 nan 0.000 0.449 1010 V N 6.574 126.399 119.914 -0.149 0.000 2.630 1010 V HA 0.531 4.651 4.120 -0.000 0.000 0.305 1010 V C -0.804 175.180 176.094 -0.183 0.000 1.046 1010 V CA -0.572 61.705 62.300 -0.039 0.000 0.934 1010 V CB 1.499 33.298 31.823 -0.040 0.000 1.003 1010 V HN 0.807 nan 8.190 nan 0.000 0.451 1011 Y N 0.751 121.048 120.300 -0.006 0.000 2.665 1011 Y HA 0.611 5.161 4.550 -0.000 0.000 0.336 1011 Y C 0.027 175.923 175.900 -0.006 0.000 1.085 1011 Y CA -1.006 57.091 58.100 -0.005 0.000 1.096 1011 Y CB 1.650 40.108 38.460 -0.003 0.000 1.301 1011 Y HN 0.637 nan 8.280 nan 0.000 0.493 1012 E N 0.144 120.456 120.200 0.187 0.000 2.238 1012 E HA 0.708 5.058 4.350 -0.000 0.000 0.267 1012 E C -0.677 175.980 176.600 0.096 0.000 0.887 1012 E CA -0.564 55.894 56.400 0.097 0.000 0.769 1012 E CB 1.981 31.713 29.700 0.054 0.000 1.187 1012 E HN 0.854 nan 8.360 nan 0.000 0.416 1013 G N 1.195 110.029 108.800 0.057 0.000 2.435 1013 G HA2 0.395 4.355 3.960 -0.000 0.000 0.296 1013 G HA3 0.395 4.355 3.960 -0.000 0.000 0.296 1013 G C -1.518 173.396 174.900 0.022 0.000 1.240 1013 G CA -0.247 44.875 45.100 0.037 0.000 0.872 1013 G HN 0.466 nan 8.290 nan 0.000 0.480 1014 V N -0.136 119.786 119.914 0.013 0.000 2.914 1014 V HA 0.885 5.005 4.120 -0.000 0.000 0.314 1014 V C -0.150 175.949 176.094 0.008 0.000 1.084 1014 V CA -0.159 62.147 62.300 0.010 0.000 0.963 1014 V CB 1.666 33.493 31.823 0.007 0.000 1.025 1014 V HN 1.835 nan 8.190 nan 0.000 0.432 1015 A N 3.004 125.830 122.820 0.010 0.000 2.429 1015 A HA 0.678 4.998 4.320 -0.000 0.000 0.289 1015 A C -0.671 176.919 177.584 0.011 0.000 1.043 1015 A CA -0.753 51.291 52.037 0.012 0.000 0.722 1015 A CB 1.149 20.161 19.000 0.020 0.000 1.243 1015 A HN 0.745 nan 8.150 nan 0.000 0.415 1016 K N 0.644 121.049 120.400 0.007 0.000 2.126 1016 K HA 0.499 4.819 4.320 -0.000 0.000 0.257 1016 K C 1.012 177.615 176.600 0.005 0.000 1.007 1016 K CA 0.421 56.710 56.287 0.004 0.000 0.928 1016 K CB 0.692 33.192 32.500 0.001 0.000 1.013 1016 K HN 1.708 nan 8.250 nan 0.000 0.473 1017 G N 0.454 109.254 108.800 0.000 0.000 2.356 1017 G HA2 -0.216 3.743 3.960 -0.000 0.000 0.296 1017 G HA3 -0.216 3.743 3.960 -0.000 0.000 0.296 1017 G C 0.404 175.303 174.900 -0.003 0.000 1.022 1017 G CA 0.572 45.669 45.100 -0.005 0.000 0.961 1017 G HN 0.382 nan 8.290 nan 0.000 0.510 1018 V N -3.481 116.437 119.914 0.006 0.000 3.151 1018 V HA 0.388 4.508 4.120 -0.000 0.000 0.241 1018 V C 1.242 177.344 176.094 0.013 0.000 1.173 1018 V CA 0.667 62.979 62.300 0.020 0.000 1.154 1018 V CB 0.374 32.220 31.823 0.039 0.000 0.898 1018 V HN 0.294 nan 8.190 nan 0.000 0.473 1019 V N 1.471 121.390 119.914 0.008 0.000 2.547 1019 V HA 0.359 4.478 4.120 -0.000 0.000 0.299 1019 V C 0.129 176.220 176.094 -0.007 0.000 1.040 1019 V CA -0.868 61.436 62.300 0.006 0.000 0.913 1019 V CB 1.727 33.557 31.823 0.011 0.000 0.992 1019 V HN 0.347 nan 8.190 nan 0.000 0.449 1020 K N 2.623 123.016 120.400 -0.012 0.000 2.382 1020 K HA 0.072 4.392 4.320 -0.000 0.000 0.275 1020 K C 0.409 177.002 176.600 -0.011 0.000 1.009 1020 K CA 0.175 56.451 56.287 -0.018 0.000 0.970 1020 K CB 0.189 32.675 32.500 -0.023 0.000 0.934 1020 K HN 0.831 nan 8.250 nan 0.000 0.479 1021 D N 0.665 121.057 120.400 -0.013 0.000 3.067 1021 D HA -0.230 4.410 4.640 -0.000 0.000 0.216 1021 D C -0.355 175.941 176.300 -0.006 0.000 1.162 1021 D CA 1.302 55.297 54.000 -0.009 0.000 0.960 1021 D CB -0.622 40.173 40.800 -0.008 0.000 1.129 1021 D HN 0.700 nan 8.370 nan 0.000 0.408 1022 E N 0.650 120.847 120.200 -0.005 0.000 2.179 1022 E HA 0.275 4.625 4.350 -0.000 0.000 0.275 1022 E C -1.344 175.255 176.600 -0.002 0.000 0.945 1022 E CA -1.553 54.846 56.400 -0.001 0.000 0.792 1022 E CB 2.040 31.741 29.700 0.002 0.000 1.125 1022 E HN -0.173 nan 8.360 nan 0.000 0.397 1023 P HA -0.097 nan 4.420 nan 0.000 0.208 1023 P C -0.428 176.872 177.300 0.001 0.000 1.200 1023 P CA 1.156 64.256 63.100 -0.001 0.000 0.924 1023 P CB 0.335 32.035 31.700 -0.000 0.000 0.774 1024 E N -1.485 118.716 120.200 0.002 0.000 2.339 1024 E HA 0.563 4.913 4.350 -0.000 0.000 0.262 1024 E C -0.799 175.805 176.600 0.006 0.000 0.934 1024 E CA -0.660 55.742 56.400 0.004 0.000 0.802 1024 E CB 1.955 31.657 29.700 0.004 0.000 1.275 1024 E HN -0.055 nan 8.360 nan 0.000 0.427 1025 T N 0.895 115.453 114.554 0.008 0.000 2.993 1025 T HA 0.321 4.671 4.350 -0.000 0.000 0.312 1025 T C -0.728 173.978 174.700 0.010 0.000 1.115 1025 T CA -0.795 61.311 62.100 0.009 0.000 1.027 1025 T CB 1.261 70.137 68.868 0.014 0.000 1.116 1025 T HN 0.241 nan 8.240 nan 0.000 0.464 1026 R N 1.609 122.113 120.500 0.007 0.000 2.438 1026 R HA 0.636 4.976 4.340 -0.000 0.000 0.287 1026 R C -0.039 176.266 176.300 0.009 0.000 1.077 1026 R CA -0.443 55.662 56.100 0.007 0.000 1.034 1026 R CB 0.687 30.988 30.300 0.002 0.000 0.993 1026 R HN 0.520 nan 8.270 nan 0.000 0.459 1027 V N -1.400 118.523 119.914 0.015 0.000 3.206 1027 V HA 0.853 4.973 4.120 -0.000 0.000 0.305 1027 V C -0.912 175.197 176.094 0.026 0.000 1.257 1027 V CA -1.301 61.010 62.300 0.018 0.000 1.057 1027 V CB 1.973 33.809 31.823 0.023 0.000 1.075 1027 V HN 0.800 nan 8.190 nan 0.000 0.443 1028 A N 1.877 124.710 122.820 0.022 0.000 2.305 1028 A HA 0.922 5.242 4.320 -0.000 0.000 0.322 1028 A C -0.572 177.040 177.584 0.047 0.000 1.187 1028 A CA -0.665 51.391 52.037 0.032 0.000 0.825 1028 A CB 0.569 19.573 19.000 0.006 0.000 1.164 1028 A HN 0.965 nan 8.150 nan 0.000 0.498 1029 I N 2.653 123.278 120.570 0.092 0.000 2.448 1029 I HA 0.231 4.400 4.170 -0.000 0.000 0.281 1029 I C -0.298 175.915 176.117 0.160 0.000 1.027 1029 I CA -0.322 61.042 61.300 0.107 0.000 1.111 1029 I CB 1.630 39.684 38.000 0.090 0.000 1.236 1029 I HN 0.582 nan 8.210 nan 0.000 0.452 1030 K N 4.812 125.292 120.400 0.133 0.000 2.234 1030 K HA 0.486 4.806 4.320 -0.000 0.000 0.282 1030 K C 0.236 176.965 176.600 0.215 0.000 1.039 1030 K CA -0.397 55.995 56.287 0.175 0.000 0.928 1030 K CB 1.556 34.162 32.500 0.177 0.000 1.039 1030 K HN 0.657 nan 8.250 nan 0.000 0.470 1031 T N -1.981 112.637 114.554 0.107 0.000 2.927 1031 T HA 0.553 4.903 4.350 -0.000 0.000 0.286 1031 T C -0.368 174.165 174.700 -0.278 0.000 1.040 1031 T CA -0.840 61.243 62.100 -0.029 0.000 1.010 1031 T CB 1.335 70.242 68.868 0.064 0.000 1.177 1031 T HN 0.156 nan 8.240 nan 0.000 0.546 1032 V N 2.048 121.763 119.914 -0.332 0.000 2.444 1032 V HA 0.379 4.499 4.120 -0.000 0.000 0.294 1032 V C 0.412 176.428 176.094 -0.130 0.000 1.022 1032 V CA -1.161 60.936 62.300 -0.338 0.000 0.850 1032 V CB 1.059 32.593 31.823 -0.480 0.000 0.992 1032 V HN 1.007 nan 8.190 nan 0.000 0.426 1033 N N 2.636 121.294 118.700 -0.069 0.000 2.226 1033 N HA -0.099 4.641 4.740 -0.000 0.000 0.232 1033 N C 1.203 176.695 175.510 -0.031 0.000 1.255 1033 N CA 0.388 53.418 53.050 -0.034 0.000 0.855 1033 N CB 0.904 39.376 38.487 -0.026 0.000 1.095 1033 N HN 0.876 nan 8.380 nan 0.000 0.444 1034 E N 1.142 121.332 120.200 -0.018 0.000 2.208 1034 E HA -0.121 4.229 4.350 -0.000 0.000 0.193 1034 E C 0.989 177.583 176.600 -0.011 0.000 0.988 1034 E CA 0.543 56.935 56.400 -0.014 0.000 0.828 1034 E CB 0.056 29.751 29.700 -0.008 0.000 0.763 1034 E HN 0.686 nan 8.360 nan 0.000 0.478 1035 A N 0.699 123.513 122.820 -0.011 0.000 2.310 1035 A HA 0.421 4.741 4.320 -0.000 0.000 0.230 1035 A C 0.608 178.188 177.584 -0.007 0.000 1.294 1035 A CA 0.431 52.463 52.037 -0.009 0.000 0.898 1035 A CB -0.313 18.681 19.000 -0.011 0.000 0.917 1035 A HN 0.283 nan 8.150 nan 0.000 0.491 1036 A N -0.411 122.406 122.820 -0.005 0.000 2.303 1036 A HA 0.611 4.931 4.320 -0.000 0.000 0.317 1036 A C 0.574 178.166 177.584 0.014 0.000 1.149 1036 A CA -0.173 51.868 52.037 0.007 0.000 0.822 1036 A CB 0.442 19.450 19.000 0.013 0.000 1.131 1036 A HN 0.365 nan 8.150 nan 0.000 0.493 1037 S N 0.998 116.713 115.700 0.024 0.000 2.576 1037 S HA 0.218 4.688 4.470 -0.000 0.000 0.276 1037 S C 1.503 176.124 174.600 0.035 0.000 1.339 1037 S CA -0.621 57.595 58.200 0.026 0.000 1.039 1037 S CB 0.100 63.317 63.200 0.028 0.000 0.902 1037 S HN 0.552 nan 8.310 nan 0.000 0.516 1038 M N 3.110 122.727 119.600 0.029 0.000 2.195 1038 M HA -0.094 4.386 4.480 -0.000 0.000 0.260 1038 M C 2.010 178.337 176.300 0.045 0.000 1.066 1038 M CA 1.475 56.795 55.300 0.033 0.000 1.089 1038 M CB -1.475 31.142 32.600 0.029 0.000 1.377 1038 M HN 0.672 nan 8.290 nan 0.000 0.411 1039 R N 0.929 121.457 120.500 0.047 0.000 2.073 1039 R HA -0.108 4.231 4.340 -0.000 0.000 0.234 1039 R C 1.895 178.247 176.300 0.088 0.000 1.134 1039 R CA 1.865 57.999 56.100 0.056 0.000 0.952 1039 R CB -0.514 29.813 30.300 0.044 0.000 0.850 1039 R HN 0.487 nan 8.270 nan 0.000 0.433 1040 E N -0.406 119.858 120.200 0.107 0.000 2.110 1040 E HA -0.194 4.156 4.350 -0.000 0.000 0.193 1040 E C 2.064 178.802 176.600 0.230 0.000 0.988 1040 E CA 1.163 57.684 56.400 0.202 0.000 0.804 1040 E CB -0.185 29.622 29.700 0.177 0.000 0.745 1040 E HN 0.282 nan 8.360 nan 0.000 0.458 1041 R N 0.600 121.171 120.500 0.118 0.000 2.115 1041 R HA -0.121 4.219 4.340 -0.000 0.000 0.230 1041 R C 2.133 178.475 176.300 0.069 0.000 1.111 1041 R CA 0.784 56.923 56.100 0.066 0.000 0.976 1041 R CB -0.041 30.277 30.300 0.029 0.000 0.870 1041 R HN 0.109 nan 8.270 nan 0.000 0.445 1042 I N 1.718 122.325 120.570 0.063 0.000 2.406 1042 I HA -0.173 3.997 4.170 -0.000 0.000 0.249 1042 I C 1.880 178.005 176.117 0.014 0.000 1.122 1042 I CA 1.359 62.682 61.300 0.040 0.000 1.431 1042 I CB -0.088 37.943 38.000 0.052 0.000 1.087 1042 I HN 0.295 nan 8.210 nan 0.000 0.424 1043 E N -0.800 119.435 120.200 0.059 0.000 2.511 1043 E HA -0.206 4.144 4.350 -0.000 0.000 0.196 1043 E C 1.853 178.430 176.600 -0.037 0.000 1.066 1043 E CA 0.526 56.955 56.400 0.048 0.000 0.871 1043 E CB -0.517 29.271 29.700 0.148 0.000 0.863 1043 E HN 0.477 nan 8.360 nan 0.000 0.520 1044 F N 1.353 121.098 119.950 -0.342 0.000 2.220 1044 F HA 0.191 4.718 4.527 -0.001 0.000 0.290 1044 F C 1.683 177.192 175.800 -0.485 0.000 1.080 1044 F CA 0.674 58.236 58.000 -0.730 0.000 1.318 1044 F CB 0.027 38.530 39.000 -0.828 0.000 1.063 1044 F HN -0.048 nan 8.300 nan 0.000 0.498 1045 L N 0.108 121.064 121.223 -0.445 0.000 2.217 1045 L HA -0.143 4.197 4.340 -0.000 0.000 0.211 1045 L C 1.899 178.507 176.870 -0.437 0.000 1.107 1045 L CA 1.258 55.748 54.840 -0.584 0.000 0.783 1045 L CB -0.890 40.743 42.059 -0.711 0.000 0.919 1045 L HN 0.231 nan 8.230 nan 0.000 0.442 1046 N N -0.106 118.414 118.700 -0.300 0.000 2.142 1046 N HA -0.204 4.536 4.740 -0.000 0.000 0.186 1046 N C 1.744 177.025 175.510 -0.380 0.000 1.023 1046 N CA 0.753 53.667 53.050 -0.225 0.000 0.852 1046 N CB 0.070 38.480 38.487 -0.129 0.000 0.998 1046 N HN 0.209 nan 8.380 nan 0.000 0.424 1047 E N 1.301 121.158 120.200 -0.572 0.000 2.072 1047 E HA -0.039 4.310 4.350 -0.000 0.000 0.191 1047 E C 1.847 177.801 176.600 -1.076 0.000 0.985 1047 E CA 1.083 56.953 56.400 -0.883 0.000 0.801 1047 E CB -0.190 28.739 29.700 -1.286 0.000 0.750 1047 E HN 0.336 nan 8.360 nan 0.000 0.452 1048 A N -0.326 121.879 122.820 -1.024 0.000 1.969 1048 A HA -0.127 4.193 4.320 -0.000 0.000 0.218 1048 A C 2.340 179.603 177.584 -0.534 0.000 1.169 1048 A CA 1.705 53.379 52.037 -0.605 0.000 0.635 1048 A CB -0.502 18.202 19.000 -0.494 0.000 0.810 1048 A HN 0.235 nan 8.150 nan 0.000 0.445 1049 S N -0.456 114.954 115.700 -0.484 0.000 2.423 1049 S HA -0.092 4.378 4.470 -0.000 0.000 0.231 1049 S C 1.817 176.152 174.600 -0.442 0.000 1.014 1049 S CA 1.137 59.095 58.200 -0.402 0.000 0.965 1049 S CB -0.322 62.758 63.200 -0.201 0.000 0.785 1049 S HN 0.356 nan 8.310 nan 0.000 0.495 1050 V N 2.252 121.889 119.914 -0.461 0.000 2.392 1050 V HA -0.214 3.906 4.120 -0.000 0.000 0.249 1050 V C 2.051 177.600 176.094 -0.908 0.000 1.059 1050 V CA 1.706 63.699 62.300 -0.511 0.000 1.051 1050 V CB -0.611 30.945 31.823 -0.445 0.000 0.658 1050 V HN 0.545 nan 8.190 nan 0.000 0.455 1051 M N -1.030 118.062 119.600 -0.846 0.000 2.630 1051 M HA -0.077 4.403 4.480 -0.000 0.000 0.254 1051 M C 1.942 177.804 176.300 -0.730 0.000 1.092 1051 M CA 1.078 55.825 55.300 -0.921 0.000 1.087 1051 M CB -0.352 31.982 32.600 -0.442 0.000 1.453 1051 M HN 0.261 nan 8.290 nan 0.000 0.509 1052 K N 0.259 120.238 120.400 -0.702 0.000 2.280 1052 K HA -0.122 4.198 4.320 -0.000 0.000 0.202 1052 K C 1.612 178.095 176.600 -0.195 0.000 1.047 1052 K CA 0.774 56.656 56.287 -0.674 0.000 0.942 1052 K CB 0.041 32.160 32.500 -0.636 0.000 0.739 1052 K HN 0.270 nan 8.250 nan 0.000 0.457 1053 E N 0.136 120.150 120.200 -0.309 0.000 2.158 1053 E HA -0.015 4.335 4.350 -0.000 0.000 0.191 1053 E C 0.349 177.049 176.600 0.167 0.000 0.982 1053 E CA 0.550 56.911 56.400 -0.064 0.000 0.823 1053 E CB -0.032 29.629 29.700 -0.065 0.000 0.766 1053 E HN 0.079 nan 8.360 nan 0.000 0.468 1054 F N 1.428 121.410 119.950 0.054 0.000 2.459 1054 F HA 0.249 4.776 4.527 -0.000 0.000 0.346 1054 F C 1.038 176.894 175.800 0.094 0.000 1.128 1054 F CA -0.895 57.195 58.000 0.150 0.000 1.268 1054 F CB -0.033 39.015 39.000 0.080 0.000 1.161 1054 F HN -0.147 nan 8.300 nan 0.000 0.583 1055 N N 1.202 120.043 118.700 0.235 0.000 2.732 1055 N HA 0.155 4.895 4.740 -0.000 0.000 0.230 1055 N C -1.962 173.430 175.510 -0.196 0.000 1.487 1055 N CA -0.150 52.939 53.050 0.064 0.000 0.765 1055 N CB 0.355 38.929 38.487 0.145 0.000 1.384 1055 N HN 0.675 nan 8.380 nan 0.000 0.530 1056 C N 1.695 120.760 119.300 -0.393 0.000 2.498 1056 C HA 0.441 4.901 4.460 -0.000 0.000 0.316 1056 C C 1.722 176.583 174.990 -0.216 0.000 1.209 1056 C CA -0.584 58.121 59.018 -0.522 0.000 1.518 1056 C CB 0.626 27.642 27.740 -1.205 0.000 2.147 1056 C HN 0.804 nan 8.230 nan 0.000 0.483 1057 H N 1.572 120.505 119.070 -0.228 0.000 2.457 1057 H HA -0.099 4.457 4.556 -0.000 0.000 0.297 1057 H C 0.344 175.425 175.328 -0.412 0.000 1.092 1057 H CA 1.847 57.719 56.048 -0.293 0.000 1.309 1057 H CB 0.216 29.774 29.762 -0.339 0.000 1.382 1057 H HN 0.839 nan 8.280 nan 0.000 0.535 1058 H N -0.802 118.230 119.070 -0.064 0.000 2.577 1058 H HA 0.313 4.869 4.556 -0.000 0.000 0.306 1058 H C -0.793 174.487 175.328 -0.079 0.000 1.109 1058 H CA -0.164 55.848 56.048 -0.060 0.000 1.063 1058 H CB 0.396 30.201 29.762 0.072 0.000 1.535 1058 H HN -0.071 nan 8.280 nan 0.000 0.532 1059 V N 1.262 121.128 119.914 -0.079 0.000 2.559 1059 V HA 0.044 4.164 4.120 -0.000 0.000 0.289 1059 V C -0.111 175.958 176.094 -0.043 0.000 1.036 1059 V CA -1.003 61.270 62.300 -0.044 0.000 0.887 1059 V CB 2.053 33.831 31.823 -0.076 0.000 1.022 1059 V HN 0.082 nan 8.190 nan 0.000 0.442 1060 V N 6.279 126.179 119.914 -0.023 0.000 2.703 1060 V HA -0.105 4.015 4.120 -0.000 0.000 0.300 1060 V C 1.083 177.173 176.094 -0.006 0.000 1.063 1060 V CA 0.942 63.226 62.300 -0.027 0.000 1.240 1060 V CB -0.452 31.365 31.823 -0.010 0.000 0.845 1060 V HN 0.734 nan 8.190 nan 0.000 0.476 1061 R N 3.691 124.182 120.500 -0.015 0.000 2.459 1061 R HA 0.484 4.824 4.340 -0.000 0.000 0.281 1061 R C -0.292 176.010 176.300 0.004 0.000 1.050 1061 R CA -0.909 55.198 56.100 0.011 0.000 1.055 1061 R CB 1.085 31.404 30.300 0.031 0.000 1.045 1061 R HN 0.599 nan 8.270 nan 0.000 0.495 1062 L N 3.792 124.999 121.223 -0.027 0.000 2.290 1062 L HA 0.185 4.525 4.340 -0.000 0.000 0.284 1062 L C 0.108 177.024 176.870 0.076 0.000 1.078 1062 L CA 0.399 55.188 54.840 -0.085 0.000 0.815 1062 L CB 0.726 42.589 42.059 -0.327 0.000 1.162 1062 L HN 0.693 nan 8.230 nan 0.000 0.435 1063 L N 4.666 125.966 121.223 0.128 0.000 2.425 1063 L HA 0.534 4.874 4.340 -0.000 0.000 0.215 1063 L C 1.024 178.107 176.870 0.355 0.000 1.065 1063 L CA 0.396 55.386 54.840 0.250 0.000 0.842 1063 L CB -0.157 41.978 42.059 0.126 0.000 1.033 1063 L HN 0.827 nan 8.230 nan 0.000 0.474 1064 G N -0.778 108.165 108.800 0.239 0.000 2.550 1064 G HA2 0.549 4.509 3.960 -0.000 0.000 0.293 1064 G HA3 0.549 4.509 3.960 -0.000 0.000 0.293 1064 G C -1.970 172.999 174.900 0.116 0.000 1.402 1064 G CA -0.353 44.907 45.100 0.267 0.000 0.784 1064 G HN -0.281 nan 8.290 nan 0.000 0.482 1065 V N -0.802 119.187 119.914 0.124 0.000 2.971 1065 V HA 0.645 4.765 4.120 -0.000 0.000 0.309 1065 V C -0.717 175.408 176.094 0.051 0.000 1.130 1065 V CA -0.682 61.634 62.300 0.027 0.000 0.964 1065 V CB 2.117 33.933 31.823 -0.012 0.000 1.029 1065 V HN 0.766 nan 8.190 nan 0.000 0.427 1066 V N 2.681 122.602 119.914 0.012 0.000 2.320 1066 V HA 0.208 4.327 4.120 -0.000 0.000 0.268 1066 V C 1.042 177.142 176.094 0.010 0.000 1.021 1066 V CA 0.486 62.803 62.300 0.029 0.000 0.813 1066 V CB 1.037 32.875 31.823 0.026 0.000 1.054 1066 V HN 1.081 nan 8.190 nan 0.000 0.444 1067 S N 2.230 117.945 115.700 0.025 0.000 2.395 1067 S HA 0.038 4.508 4.470 -0.000 0.000 0.225 1067 S C 0.855 175.488 174.600 0.055 0.000 1.027 1067 S CA 0.147 58.358 58.200 0.018 0.000 0.965 1067 S CB -0.004 63.281 63.200 0.140 0.000 0.812 1067 S HN 0.613 nan 8.310 nan 0.000 0.482 1068 Q N 2.250 122.090 119.800 0.067 0.000 2.297 1068 Q HA 0.552 4.891 4.340 -0.000 0.000 0.267 1068 Q C 0.899 176.916 176.000 0.029 0.000 1.006 1068 Q CA 0.916 56.749 55.803 0.050 0.000 0.896 1068 Q CB 0.244 29.011 28.738 0.048 0.000 1.186 1068 Q HN 0.658 nan 8.270 nan 0.000 0.392 1069 G N 2.211 111.025 108.800 0.022 0.000 2.627 1069 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.214 1069 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.214 1069 G C -1.193 173.710 174.900 0.004 0.000 1.331 1069 G CA -0.809 44.297 45.100 0.011 0.000 0.891 1069 G HN 0.478 nan 8.290 nan 0.000 0.539 1070 Q N 0.060 119.858 119.800 -0.004 0.000 2.289 1070 Q HA 0.563 4.903 4.340 -0.000 0.000 0.270 1070 Q C -2.241 173.746 176.000 -0.022 0.000 1.038 1070 Q CA -1.063 54.733 55.803 -0.012 0.000 0.812 1070 Q CB 1.905 30.637 28.738 -0.010 0.000 1.300 1070 Q HN 0.568 nan 8.270 nan 0.000 0.427 1071 P HA 0.310 nan 4.420 nan 0.000 0.277 1071 P C -0.712 176.576 177.300 -0.021 0.000 1.271 1071 P CA -0.327 62.754 63.100 -0.031 0.000 0.795 1071 P CB 0.533 32.209 31.700 -0.039 0.000 1.101 1072 T N 0.895 115.435 114.554 -0.024 0.000 2.780 1072 T HA 0.430 4.779 4.350 -0.000 0.000 0.294 1072 T C 0.148 174.895 174.700 0.078 0.000 0.949 1072 T CA -0.277 61.835 62.100 0.020 0.000 1.074 1072 T CB -0.079 68.808 68.868 0.032 0.000 0.910 1072 T HN 0.140 nan 8.240 nan 0.000 0.501 1073 L N 2.578 123.858 121.223 0.094 0.000 2.331 1073 L HA 0.855 5.195 4.340 -0.000 0.000 0.268 1073 L C -0.543 176.411 176.870 0.140 0.000 1.015 1073 L CA -1.230 53.686 54.840 0.127 0.000 0.807 1073 L CB 1.586 43.674 42.059 0.048 0.000 1.293 1073 L HN 0.278 nan 8.230 nan 0.000 0.451 1074 V N 2.078 122.064 119.914 0.120 0.000 2.577 1074 V HA 0.335 4.455 4.120 -0.000 0.000 0.294 1074 V C -0.426 175.675 176.094 0.012 0.000 1.052 1074 V CA -0.229 62.069 62.300 -0.002 0.000 0.891 1074 V CB 1.922 33.669 31.823 -0.127 0.000 1.017 1074 V HN 0.467 nan 8.190 nan 0.000 0.436 1075 I N 6.205 126.779 120.570 0.007 0.000 2.312 1075 I HA 0.407 4.577 4.170 -0.000 0.000 0.291 1075 I C 0.044 176.165 176.117 0.007 0.000 1.031 1075 I CA 0.134 61.447 61.300 0.021 0.000 1.293 1075 I CB 0.982 39.007 38.000 0.041 0.000 1.403 1075 I HN 0.408 nan 8.210 nan 0.000 0.484 1076 M N 4.452 124.051 119.600 -0.001 0.000 2.821 1076 M HA 0.376 4.856 4.480 -0.000 0.000 0.304 1076 M C -0.085 176.214 176.300 -0.001 0.000 1.233 1076 M CA -0.776 54.515 55.300 -0.014 0.000 0.851 1076 M CB 1.342 33.916 32.600 -0.044 0.000 1.723 1076 M HN 0.449 nan 8.290 nan 0.000 0.493 1077 E N 1.274 121.469 120.200 -0.007 0.000 2.344 1077 E HA 0.224 4.574 4.350 -0.000 0.000 0.270 1077 E C -1.300 175.289 176.600 -0.019 0.000 1.021 1077 E CA -0.458 55.935 56.400 -0.011 0.000 0.887 1077 E CB 0.895 30.581 29.700 -0.024 0.000 0.997 1077 E HN 0.403 nan 8.360 nan 0.000 0.429 1078 L N 5.097 126.310 121.223 -0.017 0.000 2.349 1078 L HA 0.220 4.560 4.340 -0.000 0.000 0.275 1078 L C -0.662 176.186 176.870 -0.036 0.000 1.115 1078 L CA 0.180 55.009 54.840 -0.019 0.000 0.820 1078 L CB 1.109 43.162 42.059 -0.011 0.000 1.135 1078 L HN 0.631 nan 8.230 nan 0.000 0.445 1079 M N 4.891 124.469 119.600 -0.037 0.000 2.182 1079 M HA 0.157 4.637 4.480 -0.000 0.000 0.285 1079 M C 1.287 177.555 176.300 -0.052 0.000 0.956 1079 M CA -0.200 55.068 55.300 -0.054 0.000 0.878 1079 M CB 0.442 33.014 32.600 -0.046 0.000 1.373 1079 M HN 0.825 nan 8.290 nan 0.000 0.393 1080 T N -0.435 114.080 114.554 -0.065 0.000 2.751 1080 T HA -0.201 4.149 4.350 -0.000 0.000 0.268 1080 T C 1.381 176.047 174.700 -0.056 0.000 1.045 1080 T CA 1.452 63.515 62.100 -0.061 0.000 1.142 1080 T CB -0.161 68.658 68.868 -0.082 0.000 0.851 1080 T HN 0.605 nan 8.240 nan 0.000 0.474 1081 R N 1.526 121.974 120.500 -0.086 0.000 2.356 1081 R HA 0.420 4.760 4.340 -0.000 0.000 0.234 1081 R C 1.679 177.991 176.300 0.020 0.000 0.929 1081 R CA 0.156 56.226 56.100 -0.049 0.000 1.084 1081 R CB -0.300 29.906 30.300 -0.158 0.000 1.105 1081 R HN 0.622 nan 8.270 nan 0.000 0.515 1082 G N 2.332 111.140 108.800 0.013 0.000 2.601 1082 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.261 1082 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.261 1082 G C -0.556 174.383 174.900 0.065 0.000 1.289 1082 G CA -0.007 45.121 45.100 0.047 0.000 0.920 1082 G HN 0.529 nan 8.290 nan 0.000 0.571 1083 D N 0.157 120.620 120.400 0.105 0.000 2.345 1083 D HA 0.248 4.887 4.640 -0.000 0.000 0.247 1083 D C 1.663 178.055 176.300 0.153 0.000 1.108 1083 D CA -0.278 53.791 54.000 0.114 0.000 0.894 1083 D CB 1.630 42.513 40.800 0.140 0.000 1.203 1083 D HN 0.474 nan 8.370 nan 0.000 0.430 1084 L N 2.389 123.685 121.223 0.121 0.000 2.127 1084 L HA -0.197 4.143 4.340 -0.000 0.000 0.211 1084 L C 2.410 179.398 176.870 0.196 0.000 1.089 1084 L CA 1.844 56.788 54.840 0.172 0.000 0.757 1084 L CB -0.731 41.398 42.059 0.115 0.000 0.899 1084 L HN 0.592 nan 8.230 nan 0.000 0.434 1085 K N -1.493 118.965 120.400 0.097 0.000 2.057 1085 K HA -0.111 4.209 4.320 -0.000 0.000 0.206 1085 K C 2.059 178.749 176.600 0.151 0.000 1.050 1085 K CA 1.398 57.709 56.287 0.040 0.000 0.935 1085 K CB -0.004 32.351 32.500 -0.243 0.000 0.715 1085 K HN 0.355 nan 8.250 nan 0.000 0.439 1086 S N 0.157 116.004 115.700 0.246 0.000 2.345 1086 S HA -0.168 4.302 4.470 -0.000 0.000 0.220 1086 S C 1.618 176.324 174.600 0.176 0.000 1.031 1086 S CA 1.259 59.617 58.200 0.263 0.000 0.996 1086 S CB -0.580 62.773 63.200 0.255 0.000 0.882 1086 S HN 0.452 nan 8.310 nan 0.000 0.445 1087 Y N 2.499 122.861 120.300 0.104 0.000 2.114 1087 Y HA -0.218 4.332 4.550 -0.000 0.000 0.282 1087 Y C 1.864 177.812 175.900 0.081 0.000 1.165 1087 Y CA 1.460 59.615 58.100 0.091 0.000 1.148 1087 Y CB -0.591 37.926 38.460 0.096 0.000 0.972 1087 Y HN 0.143 nan 8.280 nan 0.000 0.504 1088 L N -0.083 121.132 121.223 -0.013 0.000 1.994 1088 L HA -0.236 4.104 4.340 -0.000 0.000 0.208 1088 L C 2.690 179.487 176.870 -0.123 0.000 1.071 1088 L CA 1.824 56.599 54.840 -0.108 0.000 0.745 1088 L CB -0.565 41.526 42.059 0.054 0.000 0.892 1088 L HN 0.110 nan 8.230 nan 0.000 0.431 1089 R N -0.101 120.386 120.500 -0.021 0.000 2.152 1089 R HA -0.130 4.210 4.340 -0.000 0.000 0.232 1089 R C 2.420 178.695 176.300 -0.041 0.000 1.117 1089 R CA 1.465 57.563 56.100 -0.004 0.000 0.981 1089 R CB -0.400 29.945 30.300 0.074 0.000 0.870 1089 R HN 0.493 nan 8.270 nan 0.000 0.451 1090 S N 0.121 115.775 115.700 -0.076 0.000 2.507 1090 S HA -0.035 4.435 4.470 -0.000 0.000 0.235 1090 S C 1.632 176.155 174.600 -0.128 0.000 0.988 1090 S CA 0.611 58.762 58.200 -0.083 0.000 0.944 1090 S CB 0.018 63.178 63.200 -0.067 0.000 0.762 1090 S HN 0.079 nan 8.310 nan 0.000 0.526 1091 L N 1.221 122.330 121.223 -0.190 0.000 2.375 1091 L HA 0.328 4.668 4.340 -0.000 0.000 0.215 1091 L C 2.603 179.412 176.870 -0.102 0.000 1.108 1091 L CA 0.670 55.407 54.840 -0.172 0.000 0.830 1091 L CB -0.915 41.005 42.059 -0.233 0.000 0.959 1091 L HN 0.204 nan 8.230 nan 0.000 0.457 1092 R N 0.560 121.010 120.500 -0.082 0.000 2.103 1092 R HA -0.062 4.278 4.340 -0.000 0.000 0.234 1092 R C -0.827 175.446 176.300 -0.045 0.000 1.132 1092 R CA 0.999 57.065 56.100 -0.057 0.000 0.925 1092 R CB -2.183 28.093 30.300 -0.039 0.000 0.842 1092 R HN 0.379 nan 8.270 nan 0.000 0.430 1101 L N 2.147 123.359 121.223 -0.018 0.000 2.455 1101 L HA 0.582 4.921 4.340 -0.000 0.000 0.272 1101 L C 0.262 177.116 176.870 -0.027 0.000 1.174 1101 L CA 0.740 55.567 54.840 -0.022 0.000 0.869 1101 L CB 0.852 42.898 42.059 -0.022 0.000 1.130 1101 L HN 0.603 nan 8.230 nan 0.000 0.474 1102 A N 5.559 128.361 122.820 -0.031 0.000 2.354 1102 A HA 0.864 5.184 4.320 -0.000 0.000 0.321 1102 A C -2.248 175.312 177.584 -0.040 0.000 1.125 1102 A CA -1.289 50.728 52.037 -0.034 0.000 0.799 1102 A CB 0.710 19.691 19.000 -0.032 0.000 1.293 1102 A HN 0.593 nan 8.150 nan 0.000 0.452 1103 P HA 0.377 nan 4.420 nan 0.000 0.272 1103 P C -2.628 174.646 177.300 -0.043 0.000 1.240 1103 P CA -0.849 62.220 63.100 -0.050 0.000 0.791 1103 P CB -0.808 30.858 31.700 -0.057 0.000 0.978 1104 P HA -0.004 nan 4.420 nan 0.000 0.261 1104 P C 0.217 177.499 177.300 -0.029 0.000 1.173 1104 P CA 0.343 63.430 63.100 -0.023 0.000 0.760 1104 P CB 0.017 31.718 31.700 0.001 0.000 0.783 1105 S N 2.882 118.565 115.700 -0.029 0.000 2.592 1105 S HA 0.095 4.565 4.470 -0.000 0.000 0.271 1105 S C 1.109 175.693 174.600 -0.027 0.000 1.326 1105 S CA -0.754 57.428 58.200 -0.030 0.000 1.024 1105 S CB 0.539 63.721 63.200 -0.030 0.000 0.921 1105 S HN 0.380 nan 8.310 nan 0.000 0.527 1106 L N 2.627 123.833 121.223 -0.028 0.000 2.089 1106 L HA -0.107 4.233 4.340 -0.000 0.000 0.213 1106 L C 2.567 179.420 176.870 -0.028 0.000 1.079 1106 L CA 2.519 57.343 54.840 -0.027 0.000 0.758 1106 L CB -1.444 40.600 42.059 -0.025 0.000 0.891 1106 L HN 0.981 nan 8.230 nan 0.000 0.433 1107 S N -0.950 114.733 115.700 -0.027 0.000 2.368 1107 S HA -0.224 4.245 4.470 -0.000 0.000 0.225 1107 S C 2.054 176.637 174.600 -0.029 0.000 1.030 1107 S CA 1.619 59.801 58.200 -0.029 0.000 0.999 1107 S CB -0.240 62.945 63.200 -0.026 0.000 0.844 1107 S HN 0.627 nan 8.310 nan 0.000 0.459 1108 K N 0.127 120.513 120.400 -0.025 0.000 2.155 1108 K HA 0.069 4.389 4.320 -0.000 0.000 0.203 1108 K C 2.308 178.904 176.600 -0.007 0.000 1.052 1108 K CA 1.265 57.542 56.287 -0.017 0.000 0.948 1108 K CB -0.201 32.287 32.500 -0.021 0.000 0.728 1108 K HN 0.453 nan 8.250 nan 0.000 0.448 1109 M N 0.567 120.160 119.600 -0.012 0.000 2.077 1109 M HA -0.125 4.355 4.480 -0.000 0.000 0.261 1109 M C 2.259 178.546 176.300 -0.021 0.000 1.070 1109 M CA 1.578 56.871 55.300 -0.011 0.000 1.125 1109 M CB -0.473 32.113 32.600 -0.022 0.000 1.339 1109 M HN 0.091 nan 8.290 nan 0.000 0.409 1110 I N 0.181 120.730 120.570 -0.034 0.000 2.248 1110 I HA -0.338 3.832 4.170 -0.000 0.000 0.248 1110 I C 2.626 178.698 176.117 -0.074 0.000 1.107 1110 I CA 1.332 62.602 61.300 -0.050 0.000 1.373 1110 I CB -0.434 37.530 38.000 -0.060 0.000 1.055 1110 I HN 0.363 nan 8.210 nan 0.000 0.418 1111 Q N 0.728 120.489 119.800 -0.065 0.000 2.002 1111 Q HA -0.206 4.133 4.340 -0.000 0.000 0.204 1111 Q C 2.239 178.216 176.000 -0.038 0.000 0.988 1111 Q CA 2.050 57.810 55.803 -0.073 0.000 0.843 1111 Q CB -0.263 28.463 28.738 -0.020 0.000 0.908 1111 Q HN 0.415 nan 8.270 nan 0.000 0.420 1112 M N -0.881 118.725 119.600 0.010 0.000 2.108 1112 M HA -0.195 4.285 4.480 -0.000 0.000 0.261 1112 M C 2.139 178.480 176.300 0.067 0.000 1.066 1112 M CA 1.590 56.918 55.300 0.047 0.000 1.107 1112 M CB -0.476 32.156 32.600 0.053 0.000 1.356 1112 M HN 0.299 nan 8.290 nan 0.000 0.406 1113 A N 0.685 123.537 122.820 0.053 0.000 1.865 1113 A HA -0.100 4.220 4.320 -0.000 0.000 0.217 1113 A C 2.376 180.083 177.584 0.205 0.000 1.191 1113 A CA 2.112 54.240 52.037 0.152 0.000 0.623 1113 A CB -1.653 17.399 19.000 0.086 0.000 0.826 1113 A HN 0.551 nan 8.150 nan 0.000 0.444 1114 G N -0.728 108.067 108.800 -0.009 0.000 2.418 1114 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.217 1114 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.217 1114 G C 1.435 176.251 174.900 -0.139 0.000 1.158 1114 G CA 0.992 45.989 45.100 -0.173 0.000 0.771 1114 G HN 0.662 nan 8.290 nan 0.000 0.545 1115 E N -0.090 120.037 120.200 -0.122 0.000 2.110 1115 E HA -0.052 4.298 4.350 -0.000 0.000 0.193 1115 E C 2.481 179.062 176.600 -0.032 0.000 0.988 1115 E CA 0.563 56.876 56.400 -0.145 0.000 0.804 1115 E CB -0.105 29.636 29.700 0.068 0.000 0.745 1115 E HN 0.508 nan 8.360 nan 0.000 0.458 1116 I N 0.816 121.453 120.570 0.112 0.000 2.286 1116 I HA -0.172 3.997 4.170 -0.000 0.000 0.245 1116 I C 2.513 178.695 176.117 0.108 0.000 1.104 1116 I CA 0.685 62.091 61.300 0.177 0.000 1.397 1116 I CB -0.246 37.945 38.000 0.318 0.000 1.072 1116 I HN 0.046 nan 8.210 nan 0.000 0.417 1117 A N 0.318 123.212 122.820 0.122 0.000 2.019 1117 A HA -0.284 4.036 4.320 -0.000 0.000 0.219 1117 A C 1.918 179.496 177.584 -0.011 0.000 1.164 1117 A CA 2.244 54.237 52.037 -0.074 0.000 0.644 1117 A CB -0.667 18.274 19.000 -0.098 0.000 0.805 1117 A HN 0.438 nan 8.150 nan 0.000 0.449 1118 D N -0.855 119.595 120.400 0.083 0.000 2.117 1118 D HA -0.007 4.633 4.640 -0.000 0.000 0.198 1118 D C 2.042 178.436 176.300 0.156 0.000 0.982 1118 D CA 1.526 55.647 54.000 0.202 0.000 0.828 1118 D CB -0.322 40.591 40.800 0.189 0.000 0.967 1118 D HN 0.297 nan 8.370 nan 0.000 0.464 1119 G N 0.221 109.066 108.800 0.076 0.000 2.433 1119 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.216 1119 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.216 1119 G C 1.499 176.337 174.900 -0.103 0.000 1.186 1119 G CA 0.814 45.938 45.100 0.039 0.000 0.779 1119 G HN 0.147 nan 8.290 nan 0.000 0.543 1120 M N 1.327 120.738 119.600 -0.315 0.000 2.108 1120 M HA 0.034 4.514 4.480 -0.000 0.000 0.261 1120 M C 2.978 178.939 176.300 -0.564 0.000 1.066 1120 M CA 1.173 56.072 55.300 -0.668 0.000 1.107 1120 M CB -1.391 30.243 32.600 -1.610 0.000 1.356 1120 M HN 0.323 nan 8.290 nan 0.000 0.406 1121 A N -0.938 121.690 122.820 -0.319 0.000 1.933 1121 A HA -0.217 4.102 4.320 -0.000 0.000 0.218 1121 A C 2.173 179.762 177.584 0.008 0.000 1.175 1121 A CA 1.469 53.566 52.037 0.101 0.000 0.628 1121 A CB -1.105 18.126 19.000 0.385 0.000 0.814 1121 A HN 0.519 nan 8.150 nan 0.000 0.444 1122 Y N 0.539 120.642 120.300 -0.329 0.000 2.114 1122 Y HA -0.172 4.378 4.550 -0.000 0.000 0.284 1122 Y C 1.955 177.502 175.900 -0.587 0.000 1.143 1122 Y CA 1.945 59.476 58.100 -0.948 0.000 1.135 1122 Y CB -0.412 37.580 38.460 -0.778 0.000 0.980 1122 Y HN 0.208 nan 8.280 nan 0.000 0.499 1123 L N 0.497 121.446 121.223 -0.457 0.000 1.989 1123 L HA -0.298 4.042 4.340 -0.000 0.000 0.211 1123 L C 2.220 178.959 176.870 -0.217 0.000 1.071 1123 L CA 2.113 56.676 54.840 -0.460 0.000 0.749 1123 L CB -0.851 41.013 42.059 -0.325 0.000 0.890 1123 L HN 0.347 nan 8.230 nan 0.000 0.431 1124 N N -0.238 118.384 118.700 -0.129 0.000 2.149 1124 N HA -0.208 4.531 4.740 -0.000 0.000 0.188 1124 N C 1.910 177.388 175.510 -0.053 0.000 1.019 1124 N CA 1.003 54.046 53.050 -0.012 0.000 0.857 1124 N CB -0.184 38.368 38.487 0.109 0.000 0.997 1124 N HN 0.357 nan 8.380 nan 0.000 0.426 1125 A N 1.689 124.434 122.820 -0.125 0.000 1.908 1125 A HA -0.112 4.208 4.320 -0.000 0.000 0.218 1125 A C 1.582 179.076 177.584 -0.150 0.000 1.181 1125 A CA 1.214 53.193 52.037 -0.097 0.000 0.627 1125 A CB -0.278 18.662 19.000 -0.100 0.000 0.818 1125 A HN 0.297 nan 8.150 nan 0.000 0.445 1126 N N 0.476 119.023 118.700 -0.255 0.000 2.413 1126 N HA -0.004 4.736 4.740 -0.000 0.000 0.207 1126 N C -0.587 174.882 175.510 -0.067 0.000 1.206 1126 N CA 0.419 53.410 53.050 -0.100 0.000 0.832 1126 N CB 0.166 38.628 38.487 -0.041 0.000 1.037 1126 N HN 0.276 nan 8.380 nan 0.000 0.467 1127 K N -0.277 120.050 120.400 -0.121 0.000 3.125 1127 K HA -0.185 4.134 4.320 -0.000 0.000 0.268 1127 K C -0.890 175.505 176.600 -0.341 0.000 1.078 1127 K CA 0.734 56.894 56.287 -0.212 0.000 0.775 1127 K CB -2.526 29.811 32.500 -0.272 0.000 1.253 1127 K HN 0.227 nan 8.250 nan 0.000 0.486 1128 F N 0.066 119.972 119.950 -0.073 0.000 2.507 1128 F HA 0.371 4.898 4.527 -0.000 0.000 0.328 1128 F C 0.840 176.624 175.800 -0.028 0.000 1.136 1128 F CA -1.197 56.778 58.000 -0.043 0.000 0.930 1128 F CB 1.717 40.687 39.000 -0.052 0.000 1.166 1128 F HN -0.045 nan 8.300 nan 0.000 0.436 1129 V N 0.650 120.688 119.914 0.207 0.000 2.716 1129 V HA 0.368 4.488 4.120 -0.000 0.000 0.304 1129 V C 0.635 176.850 176.094 0.201 0.000 1.053 1129 V CA -0.372 62.047 62.300 0.198 0.000 0.984 1129 V CB 1.545 33.483 31.823 0.191 0.000 1.021 1129 V HN 0.888 nan 8.190 nan 0.000 0.467 1130 H N 2.277 121.447 119.070 0.167 0.000 2.384 1130 H HA 0.168 4.724 4.556 -0.000 0.000 0.300 1130 H C 1.823 177.230 175.328 0.132 0.000 1.057 1130 H CA 1.749 57.882 56.048 0.141 0.000 1.370 1130 H CB 0.345 30.193 29.762 0.142 0.000 1.417 1130 H HN 0.897 nan 8.280 nan 0.000 0.527 1131 R N -0.832 119.893 120.500 0.376 0.000 3.961 1131 R HA -0.196 4.143 4.340 -0.000 0.000 0.457 1131 R C -0.434 176.038 176.300 0.288 0.000 0.854 1131 R CA 1.575 57.792 56.100 0.194 0.000 1.601 1131 R CB -1.075 29.102 30.300 -0.206 0.000 2.259 1131 R HN 0.330 nan 8.270 nan 0.000 0.486 1132 D N -0.156 120.544 120.400 0.500 0.000 3.007 1132 D HA 0.139 4.778 4.640 -0.000 0.000 0.363 1132 D C -1.166 175.160 176.300 0.043 0.000 1.474 1132 D CA -0.370 53.837 54.000 0.345 0.000 0.767 1132 D CB 0.336 41.335 40.800 0.332 0.000 1.227 1132 D HN 0.067 nan 8.370 nan 0.000 0.471 1133 L N 1.456 122.599 121.223 -0.135 0.000 2.410 1133 L HA 0.655 4.994 4.340 -0.000 0.000 0.273 1133 L C -0.368 176.437 176.870 -0.108 0.000 1.144 1133 L CA 0.415 55.029 54.840 -0.377 0.000 0.863 1133 L CB 0.556 42.555 42.059 -0.099 0.000 1.140 1133 L HN 0.196 nan 8.230 nan 0.000 0.463 1134 A N 3.760 126.474 122.820 -0.178 0.000 2.540 1134 A HA 0.690 5.009 4.320 -0.000 0.000 0.291 1134 A C 0.411 177.933 177.584 -0.102 0.000 1.083 1134 A CA -0.137 51.773 52.037 -0.211 0.000 0.650 1134 A CB 0.101 18.623 19.000 -0.796 0.000 1.292 1134 A HN 1.025 nan 8.150 nan 0.000 0.435 1135 A N 0.283 123.085 122.820 -0.029 0.000 1.933 1135 A HA -0.113 4.207 4.320 -0.000 0.000 0.218 1135 A C 1.911 179.451 177.584 -0.073 0.000 1.175 1135 A CA 1.988 54.027 52.037 0.002 0.000 0.628 1135 A CB -0.666 18.371 19.000 0.063 0.000 0.814 1135 A HN 1.071 nan 8.150 nan 0.000 0.444 1136 R N -0.833 119.540 120.500 -0.211 0.000 2.241 1136 R HA -0.019 4.321 4.340 -0.000 0.000 0.224 1136 R C 0.010 176.284 176.300 -0.044 0.000 1.101 1136 R CA 1.463 57.441 56.100 -0.203 0.000 0.995 1136 R CB -0.394 29.684 30.300 -0.370 0.000 0.870 1136 R HN 0.322 nan 8.270 nan 0.000 0.463 1137 N N 0.161 118.833 118.700 -0.046 0.000 2.328 1137 N HA 0.155 4.895 4.740 -0.000 0.000 0.247 1137 N C -1.173 174.368 175.510 0.052 0.000 1.165 1137 N CA -0.174 52.897 53.050 0.035 0.000 0.873 1137 N CB 0.807 39.336 38.487 0.071 0.000 1.125 1137 N HN 0.127 nan 8.380 nan 0.000 0.513 1138 C N 0.939 120.262 119.300 0.038 0.000 2.507 1138 C HA 0.583 5.043 4.460 -0.000 0.000 0.319 1138 C C -0.085 174.934 174.990 0.049 0.000 1.208 1138 C CA -0.807 58.242 59.018 0.052 0.000 1.619 1138 C CB 1.373 29.146 27.740 0.055 0.000 2.230 1138 C HN 0.200 nan 8.230 nan 0.000 0.492 1139 M N 2.385 122.008 119.600 0.037 0.000 2.578 1139 M HA 0.527 5.007 4.480 -0.000 0.000 0.321 1139 M C -0.616 175.674 176.300 -0.017 0.000 1.182 1139 M CA -0.699 54.609 55.300 0.014 0.000 0.965 1139 M CB 1.556 34.157 32.600 0.001 0.000 1.694 1139 M HN 0.316 nan 8.290 nan 0.000 0.461 1140 V N 2.065 121.947 119.914 -0.054 0.000 2.347 1140 V HA 0.627 4.746 4.120 -0.000 0.000 0.280 1140 V C 0.477 176.486 176.094 -0.142 0.000 1.021 1140 V CA -0.999 61.222 62.300 -0.132 0.000 0.847 1140 V CB 0.956 32.614 31.823 -0.275 0.000 0.990 1140 V HN 1.004 nan 8.190 nan 0.000 0.444 1141 A N 3.187 125.926 122.820 -0.136 0.000 2.296 1141 A HA 0.432 4.752 4.320 -0.000 0.000 0.264 1141 A C 1.401 178.840 177.584 -0.242 0.000 1.097 1141 A CA 0.160 52.109 52.037 -0.147 0.000 0.811 1141 A CB 0.254 19.185 19.000 -0.115 0.000 1.072 1141 A HN 0.946 nan 8.150 nan 0.000 0.495 1142 E N 0.488 120.562 120.200 -0.211 0.000 2.065 1142 E HA -0.257 4.093 4.350 -0.000 0.000 0.201 1142 E C 0.957 177.298 176.600 -0.432 0.000 1.016 1142 E CA 2.356 58.591 56.400 -0.275 0.000 0.818 1142 E CB -0.217 29.391 29.700 -0.152 0.000 0.749 1142 E HN 0.746 nan 8.360 nan 0.000 0.453 1143 D N -1.334 118.924 120.400 -0.237 0.000 2.323 1143 D HA -0.072 4.567 4.640 -0.000 0.000 0.239 1143 D C -0.065 176.270 176.300 0.058 0.000 1.129 1143 D CA -0.037 53.905 54.000 -0.096 0.000 0.865 1143 D CB -0.646 40.182 40.800 0.046 0.000 0.913 1143 D HN 0.357 nan 8.370 nan 0.000 0.517 1144 F N -1.749 118.173 119.950 -0.047 0.000 2.656 1144 F HA -0.249 4.278 4.527 -0.000 0.000 0.381 1144 F C 0.593 176.348 175.800 -0.075 0.000 0.603 1144 F CA 0.733 58.673 58.000 -0.100 0.000 1.335 1144 F CB -2.514 36.443 39.000 -0.072 0.000 1.836 1144 F HN -0.084 nan 8.300 nan 0.000 0.290 1145 T N 1.829 116.436 114.554 0.087 0.000 2.919 1145 T HA 0.494 4.844 4.350 -0.000 0.000 0.302 1145 T C 0.419 175.150 174.700 0.052 0.000 1.031 1145 T CA -0.223 61.940 62.100 0.105 0.000 1.127 1145 T CB 1.444 70.371 68.868 0.097 0.000 0.952 1145 T HN 0.022 nan 8.240 nan 0.000 0.540 1146 V N 4.732 124.713 119.914 0.112 0.000 2.427 1146 V HA 0.446 4.566 4.120 -0.000 0.000 0.286 1146 V C 0.190 176.367 176.094 0.139 0.000 1.034 1146 V CA -0.603 61.749 62.300 0.087 0.000 0.893 1146 V CB 1.211 33.087 31.823 0.088 0.000 0.982 1146 V HN 0.748 nan 8.190 nan 0.000 0.452 1147 K N 3.952 124.392 120.400 0.068 0.000 2.395 1147 K HA 0.611 4.931 4.320 -0.000 0.000 0.247 1147 K C -1.070 175.570 176.600 0.067 0.000 0.973 1147 K CA -1.036 55.289 56.287 0.063 0.000 0.828 1147 K CB 2.305 34.781 32.500 -0.040 0.000 1.272 1147 K HN 0.366 nan 8.250 nan 0.000 0.439 1148 I N 2.610 123.225 120.570 0.076 0.000 2.505 1148 I HA 0.022 4.192 4.170 -0.000 0.000 0.287 1148 I C 1.103 177.276 176.117 0.093 0.000 1.104 1148 I CA 0.283 61.640 61.300 0.096 0.000 1.387 1148 I CB -0.337 37.719 38.000 0.093 0.000 1.404 1148 I HN 0.690 nan 8.210 nan 0.000 0.528 1149 G N 6.601 115.468 108.800 0.111 0.000 2.554 1149 G HA2 0.168 4.128 3.960 -0.000 0.000 0.238 1149 G HA3 0.168 4.128 3.960 -0.000 0.000 0.238 1149 G C 0.108 175.072 174.900 0.107 0.000 1.259 1149 G CA -0.513 44.641 45.100 0.090 0.000 0.843 1149 G HN 0.754 nan 8.290 nan 0.000 0.582 1150 D N 0.297 120.729 120.400 0.055 0.000 2.354 1150 D HA 0.274 4.914 4.640 -0.000 0.000 0.247 1150 D C 0.639 176.961 176.300 0.036 0.000 1.138 1150 D CA -0.713 53.326 54.000 0.064 0.000 0.958 1150 D CB 0.757 41.552 40.800 -0.009 0.000 1.144 1150 D HN 0.338 nan 8.370 nan 0.000 0.458 1151 F N -1.536 118.421 119.950 0.012 0.000 2.589 1151 F HA 0.358 4.884 4.527 -0.000 0.000 0.352 1151 F C 1.493 177.365 175.800 0.120 0.000 1.168 1151 F CA 0.032 58.062 58.000 0.051 0.000 1.353 1151 F CB -0.119 38.897 39.000 0.026 0.000 1.116 1151 F HN 0.591 nan 8.300 nan 0.000 0.608 1152 G N 3.784 112.656 108.800 0.120 0.000 2.221 1152 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.265 1152 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.265 1152 G C 0.296 175.188 174.900 -0.012 0.000 1.041 1152 G CA 0.386 45.541 45.100 0.092 0.000 0.807 1152 G HN 0.634 nan 8.290 nan 0.000 0.502 1153 M N -0.148 119.446 119.600 -0.011 0.000 2.304 1153 M HA 0.123 4.603 4.480 -0.000 0.000 0.281 1153 M C 1.062 177.387 176.300 0.043 0.000 1.014 1153 M CA 0.531 55.829 55.300 -0.004 0.000 1.054 1153 M CB -0.470 32.117 32.600 -0.021 0.000 1.551 1153 M HN 0.144 nan 8.290 nan 0.000 0.548 1154 T N 3.202 117.798 114.554 0.069 0.000 2.866 1154 T HA 0.043 4.393 4.350 -0.000 0.000 0.293 1154 T C 0.729 175.498 174.700 0.115 0.000 1.005 1154 T CA 0.321 62.492 62.100 0.119 0.000 1.162 1154 T CB 0.304 69.250 68.868 0.130 0.000 0.968 1154 T HN 0.230 nan 8.240 nan 0.000 0.530 1155 R N 2.626 123.232 120.500 0.177 0.000 2.489 1155 R HA 0.025 4.364 4.340 -0.000 0.000 0.287 1155 R C 1.149 177.473 176.300 0.040 0.000 1.053 1155 R CA -0.211 55.936 56.100 0.078 0.000 1.036 1155 R CB 0.375 30.685 30.300 0.016 0.000 0.966 1155 R HN 0.775 nan 8.270 nan 0.000 0.432 1156 D N 2.771 123.159 120.400 -0.021 0.000 2.311 1156 D HA -0.210 4.429 4.640 -0.000 0.000 0.212 1156 D C 1.532 177.806 176.300 -0.043 0.000 0.972 1156 D CA 1.033 55.018 54.000 -0.025 0.000 0.887 1156 D CB -0.336 40.439 40.800 -0.043 0.000 0.915 1156 D HN 0.722 nan 8.370 nan 0.000 0.497 1157 I N -3.479 117.001 120.570 -0.150 0.000 3.111 1157 I HA -0.015 4.155 4.170 -0.000 0.000 0.272 1157 I C 0.711 176.715 176.117 -0.188 0.000 1.268 1157 I CA 0.410 61.577 61.300 -0.222 0.000 1.467 1157 I CB -0.306 37.467 38.000 -0.380 0.000 1.087 1157 I HN -0.188 nan 8.210 nan 0.000 0.467 1158 Y N 1.728 122.085 120.300 0.095 0.000 2.493 1158 Y HA 0.199 4.749 4.550 -0.000 0.000 0.275 1158 Y C 2.142 178.161 175.900 0.199 0.000 1.183 1158 Y CA -0.466 57.711 58.100 0.128 0.000 1.258 1158 Y CB -0.626 37.899 38.460 0.108 0.000 1.108 1158 Y HN 0.331 nan 8.280 nan 0.000 0.521 1159 E N 0.107 120.471 120.200 0.273 0.000 2.208 1159 E HA -0.252 4.098 4.350 -0.000 0.000 0.202 1159 E C 1.320 178.120 176.600 0.333 0.000 1.014 1159 E CA 1.860 58.420 56.400 0.266 0.000 0.819 1159 E CB 0.119 29.898 29.700 0.132 0.000 0.735 1159 E HN 0.347 nan 8.360 nan 0.000 0.469 1160 T N 0.731 115.451 114.554 0.276 0.000 2.962 1160 T HA -0.101 4.249 4.350 -0.000 0.000 0.270 1160 T C 0.724 175.580 174.700 0.260 0.000 1.088 1160 T CA 1.098 63.347 62.100 0.249 0.000 1.127 1160 T CB -0.197 68.795 68.868 0.207 0.000 0.883 1160 T HN 0.197 nan 8.240 nan 0.000 0.493 1161 D N 0.268 120.812 120.400 0.241 0.000 2.392 1161 D HA 0.043 4.682 4.640 -0.000 0.000 0.228 1161 D C -0.330 175.803 176.300 -0.278 0.000 1.003 1161 D CA 0.670 54.690 54.000 0.034 0.000 0.917 1161 D CB -0.067 40.566 40.800 -0.277 0.000 0.890 1161 D HN 0.471 nan 8.370 nan 0.000 0.532 1162 Y N -1.220 119.215 120.300 0.225 0.000 2.562 1162 Y HA 0.487 5.037 4.550 -0.000 0.000 0.343 1162 Y C -0.614 175.456 175.900 0.284 0.000 1.025 1162 Y CA -1.379 56.853 58.100 0.221 0.000 1.082 1162 Y CB 1.540 40.083 38.460 0.139 0.000 1.264 1162 Y HN -0.230 nan 8.280 nan 0.000 0.478 1163 Y N 0.160 120.603 120.300 0.237 0.000 2.552 1163 Y HA 0.494 5.044 4.550 -0.000 0.000 0.337 1163 Y C -1.075 174.905 175.900 0.133 0.000 1.094 1163 Y CA -1.770 56.422 58.100 0.153 0.000 1.028 1163 Y CB 1.569 40.095 38.460 0.109 0.000 1.321 1163 Y HN 0.607 nan 8.280 nan 0.000 0.456 1164 R N 4.464 124.585 120.500 -0.631 0.000 3.266 1164 R HA 0.166 4.506 4.340 -0.000 0.000 0.224 1164 R C -0.349 175.530 176.300 -0.703 0.000 1.525 1164 R CA -0.460 55.344 56.100 -0.493 0.000 1.364 1164 R CB 0.169 30.283 30.300 -0.309 0.000 1.276 1164 R HN 0.465 nan 8.270 nan 0.000 0.660 1165 K N 0.906 121.066 120.400 -0.399 0.000 2.491 1165 K HA -0.082 4.238 4.320 -0.000 0.000 0.279 1165 K C 0.763 177.309 176.600 -0.090 0.000 1.026 1165 K CA 1.069 57.284 56.287 -0.120 0.000 1.070 1165 K CB 0.248 32.798 32.500 0.084 0.000 0.887 1165 K HN 0.753 nan 8.250 nan 0.000 0.481 1166 G N 3.210 111.987 108.800 -0.039 0.000 2.249 1166 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.273 1166 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.273 1166 G C 0.761 175.629 174.900 -0.054 0.000 1.036 1166 G CA 0.572 45.661 45.100 -0.019 0.000 0.824 1166 G HN 1.455 nan 8.290 nan 0.000 0.504 1167 G N -1.449 107.281 108.800 -0.116 0.000 2.186 1167 G HA2 -0.346 3.613 3.960 -0.000 0.000 0.266 1167 G HA3 -0.346 3.613 3.960 -0.000 0.000 0.266 1167 G C 0.856 175.704 174.900 -0.086 0.000 0.982 1167 G CA 1.899 46.936 45.100 -0.105 0.000 0.670 1167 G HN 1.000 nan 8.290 nan 0.000 0.533 1168 K N 0.037 120.387 120.400 -0.082 0.000 2.552 1168 K HA 0.565 4.884 4.320 -0.000 0.000 0.288 1168 K C 1.466 178.033 176.600 -0.054 0.000 0.976 1168 K CA -0.427 55.831 56.287 -0.049 0.000 1.407 1168 K CB -0.211 32.275 32.500 -0.022 0.000 1.832 1168 K HN 0.284 nan 8.250 nan 0.000 0.806 1169 G N 0.937 109.723 108.800 -0.023 0.000 2.554 1169 G HA2 0.151 4.111 3.960 -0.000 0.000 0.238 1169 G HA3 0.151 4.111 3.960 -0.000 0.000 0.238 1169 G C -0.254 174.651 174.900 0.008 0.000 1.259 1169 G CA -0.461 44.634 45.100 -0.009 0.000 0.843 1169 G HN 0.254 nan 8.290 nan 0.000 0.582 1170 L N 1.177 122.415 121.223 0.025 0.000 2.530 1170 L HA 0.192 4.532 4.340 -0.000 0.000 0.273 1170 L C 0.166 177.163 176.870 0.211 0.000 1.141 1170 L CA 0.234 55.133 54.840 0.098 0.000 0.905 1170 L CB -0.040 42.049 42.059 0.051 0.000 1.202 1170 L HN 0.209 nan 8.230 nan 0.000 0.473 1171 L N 6.488 127.881 121.223 0.283 0.000 2.370 1171 L HA 0.474 4.814 4.340 -0.000 0.000 0.266 1171 L C -2.104 174.975 176.870 0.347 0.000 1.002 1171 L CA -1.664 53.378 54.840 0.337 0.000 0.818 1171 L CB 2.775 44.995 42.059 0.269 0.000 1.325 1171 L HN 0.354 nan 8.230 nan 0.000 0.418 1172 P HA 0.013 nan 4.420 nan 0.000 0.225 1172 P C 1.041 178.523 177.300 0.303 0.000 1.813 1172 P CA -0.184 62.974 63.100 0.098 0.000 1.013 1172 P CB 0.290 31.952 31.700 -0.064 0.000 1.961 1173 V N 1.213 121.276 119.914 0.249 0.000 2.439 1173 V HA -0.266 3.854 4.120 -0.000 0.000 0.253 1173 V C 1.977 178.106 176.094 0.058 0.000 1.074 1173 V CA 1.438 63.828 62.300 0.150 0.000 1.076 1173 V CB -1.412 30.481 31.823 0.117 0.000 0.664 1173 V HN 0.175 nan 8.190 nan 0.000 0.461 1174 R N -1.297 119.265 120.500 0.103 0.000 2.339 1174 R HA 0.066 4.406 4.340 -0.000 0.000 0.199 1174 R C 1.537 177.664 176.300 -0.288 0.000 1.018 1174 R CA 1.213 57.192 56.100 -0.201 0.000 1.036 1174 R CB -0.147 29.907 30.300 -0.410 0.000 0.899 1174 R HN 0.688 nan 8.270 nan 0.000 0.473 1175 W N -0.576 120.805 121.300 0.135 0.000 2.714 1175 W HA 0.291 4.950 4.660 -0.000 0.000 0.353 1175 W C -0.161 176.554 176.519 0.326 0.000 0.999 1175 W CA -0.462 57.036 57.345 0.255 0.000 1.629 1175 W CB 0.394 29.969 29.460 0.192 0.000 1.106 1175 W HN -0.031 nan 8.180 nan 0.000 0.545 1176 M N 1.287 121.069 119.600 0.303 0.000 2.249 1176 M HA 0.129 4.609 4.480 -0.000 0.000 0.351 1176 M C 1.084 177.106 176.300 -0.463 0.000 1.180 1176 M CA 0.162 55.488 55.300 0.043 0.000 1.127 1176 M CB 1.246 33.851 32.600 0.008 0.000 1.546 1176 M HN -0.252 nan 8.290 nan 0.000 0.461 1177 S N 2.122 117.358 115.700 -0.774 0.000 2.584 1177 S HA 0.207 4.677 4.470 -0.000 0.000 0.270 1177 S C -2.163 171.809 174.600 -1.045 0.000 1.346 1177 S CA -1.104 56.198 58.200 -1.496 0.000 1.018 1177 S CB 0.337 63.051 63.200 -0.810 0.000 0.899 1177 S HN 0.447 nan 8.310 nan 0.000 0.542 1178 P HA -0.202 nan 4.420 nan 0.000 0.216 1178 P C 1.758 178.725 177.300 -0.555 0.000 1.153 1178 P CA 1.540 64.175 63.100 -0.776 0.000 0.858 1178 P CB -0.026 31.078 31.700 -0.993 0.000 0.789 1179 E N -0.611 119.254 120.200 -0.559 0.000 2.152 1179 E HA -0.091 4.259 4.350 -0.000 0.000 0.192 1179 E C 1.747 178.156 176.600 -0.317 0.000 0.983 1179 E CA 1.409 57.596 56.400 -0.356 0.000 0.818 1179 E CB -1.202 28.331 29.700 -0.278 0.000 0.758 1179 E HN 0.129 nan 8.360 nan 0.000 0.467 1180 S N 1.213 116.654 115.700 -0.431 0.000 2.383 1180 S HA -0.005 4.465 4.470 -0.000 0.000 0.227 1180 S C 2.117 176.505 174.600 -0.353 0.000 1.026 1180 S CA 0.851 58.730 58.200 -0.536 0.000 0.981 1180 S CB -0.257 62.388 63.200 -0.924 0.000 0.818 1180 S HN 0.189 nan 8.310 nan 0.000 0.472 1181 L N 0.963 121.999 121.223 -0.311 0.000 2.027 1181 L HA -0.093 4.247 4.340 -0.000 0.000 0.206 1181 L C 2.561 179.358 176.870 -0.122 0.000 1.074 1181 L CA 1.354 56.085 54.840 -0.182 0.000 0.745 1181 L CB -0.271 41.666 42.059 -0.204 0.000 0.898 1181 L HN 0.223 nan 8.230 nan 0.000 0.433 1182 K N -0.759 119.555 120.400 -0.144 0.000 2.167 1182 K HA -0.105 4.215 4.320 -0.000 0.000 0.203 1182 K C 1.045 177.607 176.600 -0.063 0.000 1.052 1182 K CA 1.176 57.411 56.287 -0.087 0.000 0.956 1182 K CB 0.276 32.727 32.500 -0.082 0.000 0.735 1182 K HN 0.304 nan 8.250 nan 0.000 0.451 1183 D N -1.551 118.800 120.400 -0.082 0.000 2.441 1183 D HA 0.091 4.731 4.640 -0.000 0.000 0.210 1183 D C 0.792 177.078 176.300 -0.023 0.000 1.102 1183 D CA 0.733 54.706 54.000 -0.046 0.000 0.840 1183 D CB 1.191 41.962 40.800 -0.048 0.000 0.990 1183 D HN 0.406 nan 8.370 nan 0.000 0.505 1184 G N 1.843 110.619 108.800 -0.039 0.000 2.189 1184 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.267 1184 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.267 1184 G C 0.631 175.589 174.900 0.097 0.000 0.975 1184 G CA 0.739 45.867 45.100 0.046 0.000 0.644 1184 G HN 0.402 nan 8.290 nan 0.000 0.537 1185 V N -2.418 117.483 119.914 -0.022 0.000 2.686 1185 V HA 0.866 4.986 4.120 -0.000 0.000 0.295 1185 V C -0.022 176.014 176.094 -0.097 0.000 1.057 1185 V CA -1.376 60.950 62.300 0.044 0.000 1.012 1185 V CB 1.376 33.208 31.823 0.016 0.000 1.006 1185 V HN 0.312 nan 8.190 nan 0.000 0.477 1186 F N 2.534 122.507 119.950 0.038 0.000 2.507 1186 F HA 0.748 5.275 4.527 -0.000 0.000 0.328 1186 F C 0.550 176.377 175.800 0.045 0.000 1.136 1186 F CA -0.005 58.032 58.000 0.062 0.000 0.930 1186 F CB 2.162 41.215 39.000 0.087 0.000 1.166 1186 F HN 1.001 nan 8.300 nan 0.000 0.436 1187 T N -2.195 112.453 114.554 0.157 0.000 2.693 1187 T HA 0.249 4.599 4.350 -0.000 0.000 0.278 1187 T C 0.883 175.603 174.700 0.034 0.000 0.994 1187 T CA -0.194 61.923 62.100 0.030 0.000 1.033 1187 T CB 1.445 70.241 68.868 -0.120 0.000 1.342 1187 T HN 0.393 nan 8.240 nan 0.000 0.538 1188 T N -0.972 113.500 114.554 -0.137 0.000 2.759 1188 T HA -0.087 4.262 4.350 -0.000 0.000 0.269 1188 T C 1.406 176.161 174.700 0.092 0.000 1.042 1188 T CA 1.762 63.856 62.100 -0.010 0.000 1.140 1188 T CB -1.002 67.795 68.868 -0.119 0.000 0.864 1188 T HN 0.584 nan 8.240 nan 0.000 0.455 1189 Y N 1.608 121.979 120.300 0.118 0.000 2.165 1189 Y HA -0.165 4.384 4.550 -0.000 0.000 0.286 1189 Y C 3.077 179.070 175.900 0.156 0.000 1.155 1189 Y CA 0.924 59.077 58.100 0.088 0.000 1.164 1189 Y CB -0.439 38.053 38.460 0.053 0.000 0.978 1189 Y HN 0.328 nan 8.280 nan 0.000 0.513 1190 S N -0.673 115.203 115.700 0.293 0.000 2.474 1190 S HA -0.150 4.320 4.470 -0.000 0.000 0.235 1190 S C 1.205 176.053 174.600 0.413 0.000 0.997 1190 S CA 1.245 59.607 58.200 0.269 0.000 0.949 1190 S CB -0.211 63.028 63.200 0.064 0.000 0.766 1190 S HN 0.359 nan 8.310 nan 0.000 0.517 1191 D N 1.547 122.198 120.400 0.419 0.000 2.137 1191 D HA 0.062 4.702 4.640 -0.000 0.000 0.202 1191 D C 2.058 178.692 176.300 0.556 0.000 0.970 1191 D CA 0.621 54.942 54.000 0.536 0.000 0.837 1191 D CB -0.352 40.818 40.800 0.617 0.000 0.981 1191 D HN 0.284 nan 8.370 nan 0.000 0.475 1192 V N 1.099 121.162 119.914 0.248 0.000 2.407 1192 V HA -0.192 3.928 4.120 -0.000 0.000 0.248 1192 V C 2.168 178.402 176.094 0.234 0.000 1.055 1192 V CA 1.199 63.468 62.300 -0.052 0.000 1.049 1192 V CB -0.410 31.254 31.823 -0.265 0.000 0.662 1192 V HN 0.402 nan 8.190 nan 0.000 0.455 1193 W N 1.194 122.616 121.300 0.203 0.000 2.333 1193 W HA -0.227 4.433 4.660 -0.000 0.000 0.316 1193 W C 2.493 179.259 176.519 0.412 0.000 1.215 1193 W CA 2.263 59.788 57.345 0.300 0.000 1.278 1193 W CB -0.637 28.969 29.460 0.244 0.000 1.154 1193 W HN 0.341 nan 8.180 nan 0.000 0.486 1194 S N 0.865 116.963 115.700 0.663 0.000 2.368 1194 S HA -0.236 4.234 4.470 -0.000 0.000 0.225 1194 S C 1.558 176.443 174.600 0.476 0.000 1.030 1194 S CA 1.553 60.124 58.200 0.618 0.000 0.999 1194 S CB -1.176 62.368 63.200 0.573 0.000 0.844 1194 S HN 0.333 nan 8.310 nan 0.000 0.459 1195 F N 2.827 122.959 119.950 0.304 0.000 2.091 1195 F HA -0.142 4.384 4.527 -0.000 0.000 0.299 1195 F C 2.282 178.141 175.800 0.098 0.000 1.103 1195 F CA 1.429 59.572 58.000 0.237 0.000 1.228 1195 F CB -1.081 38.090 39.000 0.286 0.000 0.984 1195 F HN 0.216 nan 8.300 nan 0.000 0.477 1196 G N -0.243 108.504 108.800 -0.088 0.000 2.422 1196 G HA2 -0.210 3.749 3.960 -0.000 0.000 0.218 1196 G HA3 -0.210 3.749 3.960 -0.000 0.000 0.218 1196 G C 1.689 176.581 174.900 -0.013 0.000 1.146 1196 G CA 1.198 46.005 45.100 -0.488 0.000 0.769 1196 G HN 0.372 nan 8.290 nan 0.000 0.547 1197 V N 0.443 120.558 119.914 0.335 0.000 2.626 1197 V HA -0.110 4.010 4.120 -0.000 0.000 0.252 1197 V C 2.908 179.225 176.094 0.371 0.000 1.067 1197 V CA 1.118 63.647 62.300 0.382 0.000 1.081 1197 V CB 0.004 31.937 31.823 0.184 0.000 0.686 1197 V HN 0.249 nan 8.190 nan 0.000 0.468 1198 V N -0.363 119.709 119.914 0.262 0.000 2.453 1198 V HA -0.168 3.951 4.120 -0.000 0.000 0.247 1198 V C 2.283 178.399 176.094 0.038 0.000 1.048 1198 V CA 1.505 63.920 62.300 0.192 0.000 1.049 1198 V CB -0.384 31.502 31.823 0.104 0.000 0.672 1198 V HN 0.434 nan 8.190 nan 0.000 0.457 1199 L N -1.556 119.565 121.223 -0.171 0.000 2.079 1199 L HA -0.224 4.116 4.340 -0.000 0.000 0.210 1199 L C 2.278 179.155 176.870 0.012 0.000 1.081 1199 L CA 2.030 56.747 54.840 -0.205 0.000 0.752 1199 L CB -0.431 41.396 42.059 -0.387 0.000 0.896 1199 L HN 0.519 nan 8.230 nan 0.000 0.433 1200 W N 1.319 122.599 121.300 -0.034 0.000 2.353 1200 W HA -0.205 4.455 4.660 -0.000 0.000 0.319 1200 W C 2.498 179.040 176.519 0.038 0.000 1.207 1200 W CA 1.751 59.133 57.345 0.061 0.000 1.291 1200 W CB -0.162 29.390 29.460 0.153 0.000 1.159 1200 W HN 0.065 nan 8.180 nan 0.000 0.478 1201 E N 0.017 120.394 120.200 0.295 0.000 2.086 1201 E HA -0.309 4.041 4.350 -0.000 0.000 0.200 1201 E C 2.108 178.700 176.600 -0.014 0.000 1.012 1201 E CA 2.252 58.740 56.400 0.147 0.000 0.812 1201 E CB -0.658 29.209 29.700 0.278 0.000 0.743 1201 E HN 0.357 nan 8.360 nan 0.000 0.453 1202 I N 0.778 121.352 120.570 0.007 0.000 2.151 1202 I HA -0.321 3.849 4.170 -0.000 0.000 0.243 1202 I C 2.496 178.566 176.117 -0.077 0.000 1.080 1202 I CA 1.219 62.511 61.300 -0.013 0.000 1.339 1202 I CB -0.310 37.684 38.000 -0.010 0.000 1.039 1202 I HN 0.122 nan 8.210 nan 0.000 0.409 1203 A N 0.183 122.919 122.820 -0.139 0.000 1.968 1203 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 1203 A C 2.147 179.564 177.584 -0.278 0.000 1.169 1203 A CA 1.824 53.749 52.037 -0.186 0.000 0.638 1203 A CB -0.842 18.051 19.000 -0.179 0.000 0.812 1203 A HN 0.511 nan 8.150 nan 0.000 0.446 1204 T N -2.805 111.486 114.554 -0.438 0.000 3.235 1204 T HA 0.434 4.784 4.350 -0.000 0.000 0.251 1204 T C 0.483 175.014 174.700 -0.282 0.000 1.060 1204 T CA 0.061 61.868 62.100 -0.487 0.000 0.949 1204 T CB -0.710 67.592 68.868 -0.944 0.000 1.020 1204 T HN 0.483 nan 8.240 nan 0.000 0.564 1205 L N 0.344 121.456 121.223 -0.185 0.000 3.742 1205 L HA -0.270 4.070 4.340 -0.000 0.000 0.431 1205 L C 0.811 177.641 176.870 -0.067 0.000 1.220 1205 L CA 0.216 54.993 54.840 -0.106 0.000 0.863 1205 L CB -2.372 39.627 42.059 -0.099 0.000 1.751 1205 L HN 0.834 nan 8.230 nan 0.000 0.922 1206 A N -0.897 121.889 122.820 -0.057 0.000 2.632 1206 A HA -0.130 4.190 4.320 -0.000 0.000 0.294 1206 A C 0.533 178.155 177.584 0.063 0.000 1.447 1206 A CA 1.081 53.140 52.037 0.038 0.000 0.728 1206 A CB -0.769 18.271 19.000 0.067 0.000 1.102 1206 A HN 0.462 nan 8.150 nan 0.000 0.422 1207 E N 0.992 121.200 120.200 0.012 0.000 2.277 1207 E HA 0.293 4.642 4.350 -0.000 0.000 0.274 1207 E C 0.431 177.221 176.600 0.316 0.000 1.022 1207 E CA -0.516 55.939 56.400 0.091 0.000 0.853 1207 E CB 0.600 30.271 29.700 -0.047 0.000 1.086 1207 E HN 0.601 nan 8.360 nan 0.000 0.397 1208 Q N 2.299 122.251 119.800 0.255 0.000 2.274 1208 Q HA 0.142 4.482 4.340 -0.000 0.000 0.280 1208 Q C -2.106 173.991 176.000 0.161 0.000 1.047 1208 Q CA -1.333 54.605 55.803 0.225 0.000 0.907 1208 Q CB 0.074 28.913 28.738 0.168 0.000 1.171 1208 Q HN 0.082 nan 8.270 nan 0.000 0.381 1209 P HA -0.009 nan 4.420 nan 0.000 0.271 1209 P C -1.016 176.141 177.300 -0.239 0.000 1.216 1209 P CA 0.043 62.820 63.100 -0.539 0.000 0.771 1209 P CB 0.219 31.454 31.700 -0.776 0.000 0.864 1210 Y N -0.379 119.670 120.300 -0.418 0.000 3.929 1210 Y HA -0.309 4.241 4.550 -0.000 0.000 0.225 1210 Y C 1.952 177.732 175.900 -0.200 0.000 1.200 1210 Y CA 0.815 58.726 58.100 -0.316 0.000 1.791 1210 Y CB -2.742 35.528 38.460 -0.317 0.000 1.561 1210 Y HN 0.444 nan 8.280 nan 0.000 0.657 1211 Q N 0.730 120.510 119.800 -0.034 0.000 2.124 1211 Q HA -0.299 4.041 4.340 -0.000 0.000 0.215 1211 Q C 2.409 178.399 176.000 -0.017 0.000 1.015 1211 Q CA 2.583 58.391 55.803 0.010 0.000 0.890 1211 Q CB -0.557 28.207 28.738 0.044 0.000 0.966 1211 Q HN 0.771 nan 8.270 nan 0.000 0.412 1212 G N 0.798 109.570 108.800 -0.047 0.000 2.421 1212 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.216 1212 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.216 1212 G C 0.598 175.453 174.900 -0.077 0.000 1.171 1212 G CA 0.562 45.625 45.100 -0.062 0.000 0.775 1212 G HN 0.293 nan 8.290 nan 0.000 0.543 1213 L N 2.048 123.207 121.223 -0.107 0.000 2.456 1213 L HA 0.256 4.596 4.340 -0.000 0.000 0.272 1213 L C 1.017 177.826 176.870 -0.102 0.000 1.189 1213 L CA -0.529 54.237 54.840 -0.123 0.000 0.846 1213 L CB 0.789 42.743 42.059 -0.176 0.000 1.111 1213 L HN 0.274 nan 8.230 nan 0.000 0.475 1214 S N 1.316 116.948 115.700 -0.114 0.000 2.645 1214 S HA 0.197 4.667 4.470 -0.000 0.000 0.266 1214 S C 0.939 175.410 174.600 -0.215 0.000 1.258 1214 S CA -0.844 57.277 58.200 -0.133 0.000 0.990 1214 S CB 0.980 64.112 63.200 -0.113 0.000 0.967 1214 S HN 0.594 nan 8.310 nan 0.000 0.556 1215 N N 1.190 119.694 118.700 -0.328 0.000 2.094 1215 N HA -0.173 4.567 4.740 -0.000 0.000 0.191 1215 N C 1.525 176.736 175.510 -0.498 0.000 1.023 1215 N CA 1.786 54.510 53.050 -0.544 0.000 0.857 1215 N CB -0.689 37.099 38.487 -1.167 0.000 1.013 1215 N HN 0.823 nan 8.380 nan 0.000 0.426 1216 E N 1.190 121.139 120.200 -0.418 0.000 2.208 1216 E HA -0.065 4.285 4.350 -0.000 0.000 0.193 1216 E C 1.657 178.187 176.600 -0.116 0.000 0.988 1216 E CA 0.963 57.251 56.400 -0.186 0.000 0.828 1216 E CB -0.029 29.629 29.700 -0.069 0.000 0.763 1216 E HN 0.450 nan 8.360 nan 0.000 0.478 1217 Q N -0.678 119.044 119.800 -0.130 0.000 2.245 1217 Q HA -0.031 4.309 4.340 -0.000 0.000 0.201 1217 Q C 2.123 178.070 176.000 -0.089 0.000 0.955 1217 Q CA 1.058 56.807 55.803 -0.089 0.000 0.870 1217 Q CB 0.259 28.938 28.738 -0.098 0.000 0.945 1217 Q HN 0.185 nan 8.270 nan 0.000 0.461 1218 V N 0.903 120.716 119.914 -0.170 0.000 2.295 1218 V HA -0.252 3.868 4.120 -0.000 0.000 0.246 1218 V C 2.066 178.054 176.094 -0.177 0.000 1.049 1218 V CA 1.345 63.495 62.300 -0.250 0.000 1.024 1218 V CB -0.458 31.110 31.823 -0.425 0.000 0.648 1218 V HN 0.258 nan 8.190 nan 0.000 0.447 1219 L N -0.124 121.013 121.223 -0.143 0.000 2.081 1219 L HA -0.184 4.156 4.340 -0.000 0.000 0.212 1219 L C 2.501 179.334 176.870 -0.062 0.000 1.080 1219 L CA 1.947 56.728 54.840 -0.099 0.000 0.754 1219 L CB -0.996 41.038 42.059 -0.042 0.000 0.893 1219 L HN 0.289 nan 8.230 nan 0.000 0.433 1220 R N -1.208 119.279 120.500 -0.021 0.000 2.056 1220 R HA -0.179 4.161 4.340 -0.000 0.000 0.227 1220 R C 2.447 178.769 176.300 0.037 0.000 1.149 1220 R CA 1.332 57.437 56.100 0.009 0.000 0.937 1220 R CB -0.623 29.693 30.300 0.027 0.000 0.835 1220 R HN 0.197 nan 8.270 nan 0.000 0.430 1221 F N 1.545 121.440 119.950 -0.091 0.000 2.048 1221 F HA -0.333 4.193 4.527 -0.000 0.000 0.296 1221 F C 2.071 177.836 175.800 -0.058 0.000 1.109 1221 F CA 2.163 60.122 58.000 -0.069 0.000 1.214 1221 F CB -0.766 38.187 39.000 -0.078 0.000 0.963 1221 F HN -0.128 nan 8.300 nan 0.000 0.491 1222 V N 0.732 120.536 119.914 -0.183 0.000 2.261 1222 V HA -0.363 3.756 4.120 -0.000 0.000 0.246 1222 V C 2.537 178.530 176.094 -0.169 0.000 1.047 1222 V CA 2.318 64.457 62.300 -0.270 0.000 1.015 1222 V CB -0.689 30.966 31.823 -0.279 0.000 0.642 1222 V HN 0.417 nan 8.190 nan 0.000 0.446 1223 M N -0.536 118.989 119.600 -0.125 0.000 2.202 1223 M HA -0.210 4.270 4.480 -0.000 0.000 0.262 1223 M C 1.930 178.276 176.300 0.078 0.000 1.063 1223 M CA 1.693 56.978 55.300 -0.025 0.000 1.097 1223 M CB -0.485 32.087 32.600 -0.047 0.000 1.382 1223 M HN 0.423 nan 8.290 nan 0.000 0.413 1224 E N -0.657 119.522 120.200 -0.035 0.000 2.502 1224 E HA 0.066 4.416 4.350 -0.000 0.000 0.194 1224 E C 1.076 177.584 176.600 -0.153 0.000 1.062 1224 E CA 0.375 56.725 56.400 -0.083 0.000 0.867 1224 E CB 0.244 29.902 29.700 -0.069 0.000 0.888 1224 E HN 0.701 nan 8.360 nan 0.000 0.510 1225 G N 0.999 109.731 108.800 -0.113 0.000 2.168 1225 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.197 1225 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.197 1225 G C 0.428 175.182 174.900 -0.242 0.000 0.997 1225 G CA -0.382 44.646 45.100 -0.120 0.000 0.658 1225 G HN 0.407 nan 8.290 nan 0.000 0.513 1226 G N 0.081 108.521 108.800 -0.601 0.000 2.380 1226 G HA2 0.602 4.562 3.960 -0.000 0.000 0.262 1226 G HA3 0.602 4.562 3.960 -0.000 0.000 0.262 1226 G C 0.320 174.717 174.900 -0.838 0.000 1.243 1226 G CA -0.122 44.255 45.100 -1.206 0.000 0.865 1226 G HN 0.545 nan 8.290 nan 0.000 0.513 1227 L N 0.838 121.864 121.223 -0.328 0.000 2.347 1227 L HA 0.539 4.878 4.340 -0.000 0.000 0.268 1227 L C 0.222 177.058 176.870 -0.056 0.000 1.019 1227 L CA -1.076 53.654 54.840 -0.183 0.000 0.806 1227 L CB 1.318 43.335 42.059 -0.070 0.000 1.339 1227 L HN 0.273 nan 8.230 nan 0.000 0.463 1228 L N 0.234 121.191 121.223 -0.444 0.000 2.399 1228 L HA 0.249 4.589 4.340 -0.000 0.000 0.266 1228 L C -0.407 176.472 176.870 0.014 0.000 1.114 1228 L CA -0.554 53.978 54.840 -0.513 0.000 0.804 1228 L CB 0.810 42.143 42.059 -1.210 0.000 1.146 1228 L HN 0.472 nan 8.230 nan 0.000 0.451 1229 D N 2.076 122.527 120.400 0.085 0.000 2.304 1229 D HA 0.040 4.680 4.640 -0.000 0.000 0.247 1229 D C -0.070 176.390 176.300 0.266 0.000 1.089 1229 D CA -0.402 53.707 54.000 0.182 0.000 0.910 1229 D CB 1.124 41.974 40.800 0.083 0.000 1.199 1229 D HN 0.327 nan 8.370 nan 0.000 0.426 1230 K N 2.901 123.193 120.400 -0.180 0.000 2.430 1230 K HA 0.039 4.359 4.320 -0.000 0.000 0.280 1230 K C -2.076 174.432 176.600 -0.154 0.000 1.063 1230 K CA -0.972 54.940 56.287 -0.626 0.000 1.071 1230 K CB 0.296 31.970 32.500 -1.377 0.000 0.899 1230 K HN 0.230 nan 8.250 nan 0.000 0.473 1231 P HA 0.002 nan 4.420 nan 0.000 0.270 1231 P C -0.948 176.273 177.300 -0.131 0.000 1.223 1231 P CA -0.193 62.846 63.100 -0.103 0.000 0.785 1231 P CB 0.510 32.029 31.700 -0.301 0.000 0.923 1232 D N 2.199 122.527 120.400 -0.120 0.000 2.487 1232 D HA -0.043 4.597 4.640 -0.000 0.000 0.243 1232 D C 0.913 177.152 176.300 -0.102 0.000 1.154 1232 D CA 0.539 54.477 54.000 -0.103 0.000 0.876 1232 D CB -0.375 40.374 40.800 -0.086 0.000 1.161 1232 D HN 0.361 nan 8.370 nan 0.000 0.478 1233 N N -0.253 118.394 118.700 -0.088 0.000 2.800 1233 N HA -0.208 4.532 4.740 -0.000 0.000 0.250 1233 N C -0.175 175.290 175.510 -0.074 0.000 1.078 1233 N CA 0.395 53.401 53.050 -0.074 0.000 0.804 1233 N CB -1.822 36.624 38.487 -0.068 0.000 1.135 1233 N HN 0.505 nan 8.380 nan 0.000 0.565 1234 C N 2.485 121.734 119.300 -0.084 0.000 2.555 1234 C HA 0.294 4.754 4.460 -0.000 0.000 0.385 1234 C C -1.665 173.308 174.990 -0.029 0.000 1.296 1234 C CA -1.410 57.571 59.018 -0.061 0.000 1.757 1234 C CB -0.546 27.165 27.740 -0.048 0.000 2.445 1234 C HN 0.176 nan 8.230 nan 0.000 0.571 1235 P HA -0.005 nan 4.420 nan 0.000 0.263 1235 P C 0.603 177.920 177.300 0.029 0.000 1.168 1235 P CA 0.632 63.729 63.100 -0.005 0.000 0.759 1235 P CB 0.560 32.254 31.700 -0.010 0.000 0.782 1236 D N 2.088 122.504 120.400 0.027 0.000 2.133 1236 D HA -0.216 4.424 4.640 -0.000 0.000 0.192 1236 D C 1.689 178.036 176.300 0.079 0.000 1.001 1236 D CA 1.456 55.493 54.000 0.062 0.000 0.844 1236 D CB -0.372 40.451 40.800 0.038 0.000 0.944 1236 D HN 0.441 nan 8.370 nan 0.000 0.447 1237 M N 0.283 119.904 119.600 0.035 0.000 2.073 1237 M HA -0.211 4.268 4.480 -0.000 0.000 0.258 1237 M C 2.188 178.488 176.300 0.000 0.000 1.070 1237 M CA 1.439 56.746 55.300 0.012 0.000 1.103 1237 M CB -0.170 32.428 32.600 -0.004 0.000 1.321 1237 M HN 0.015 nan 8.290 nan 0.000 0.405 1238 L N -0.909 120.319 121.223 0.008 0.000 2.017 1238 L HA -0.234 4.106 4.340 -0.000 0.000 0.208 1238 L C 2.489 179.348 176.870 -0.018 0.000 1.073 1238 L CA 1.565 56.394 54.840 -0.019 0.000 0.745 1238 L CB -0.787 41.265 42.059 -0.012 0.000 0.894 1238 L HN 0.342 nan 8.230 nan 0.000 0.432 1239 F N 0.863 120.772 119.950 -0.068 0.000 2.234 1239 F HA -0.211 4.315 4.527 -0.000 0.000 0.299 1239 F C 2.562 178.312 175.800 -0.084 0.000 1.087 1239 F CA 1.546 59.516 58.000 -0.050 0.000 1.340 1239 F CB 0.000 39.011 39.000 0.017 0.000 1.031 1239 F HN 0.113 nan 8.300 nan 0.000 0.500 1240 E N 0.519 120.711 120.200 -0.014 0.000 2.077 1240 E HA -0.246 4.104 4.350 -0.000 0.000 0.193 1240 E C 2.314 178.788 176.600 -0.210 0.000 0.989 1240 E CA 1.381 57.728 56.400 -0.088 0.000 0.800 1240 E CB -0.353 29.342 29.700 -0.009 0.000 0.746 1240 E HN 0.587 nan 8.360 nan 0.000 0.452 1241 L N 0.173 121.277 121.223 -0.199 0.000 2.027 1241 L HA -0.175 4.165 4.340 -0.000 0.000 0.206 1241 L C 2.625 179.238 176.870 -0.428 0.000 1.074 1241 L CA 1.138 55.843 54.840 -0.224 0.000 0.745 1241 L CB -0.141 41.835 42.059 -0.139 0.000 0.898 1241 L HN 0.337 nan 8.230 nan 0.000 0.433 1242 M N -0.988 118.239 119.600 -0.620 0.000 2.065 1242 M HA -0.306 4.174 4.480 -0.000 0.000 0.259 1242 M C 2.409 177.933 176.300 -1.293 0.000 1.069 1242 M CA 1.857 56.435 55.300 -1.203 0.000 1.110 1242 M CB -0.524 31.335 32.600 -1.233 0.000 1.328 1242 M HN 0.175 nan 8.290 nan 0.000 0.405 1243 R N 0.100 120.073 120.500 -0.879 0.000 2.119 1243 R HA -0.193 4.147 4.340 -0.000 0.000 0.246 1243 R C 2.121 178.229 176.300 -0.321 0.000 1.146 1243 R CA 1.706 57.508 56.100 -0.496 0.000 0.962 1243 R CB -0.021 30.039 30.300 -0.400 0.000 0.863 1243 R HN 0.292 nan 8.270 nan 0.000 0.442 1244 M N -0.486 118.917 119.600 -0.328 0.000 2.175 1244 M HA -0.145 4.334 4.480 -0.000 0.000 0.264 1244 M C 2.453 178.607 176.300 -0.243 0.000 1.063 1244 M CA 1.081 56.252 55.300 -0.214 0.000 1.119 1244 M CB -0.943 31.553 32.600 -0.173 0.000 1.377 1244 M HN 0.316 nan 8.290 nan 0.000 0.415 1245 C N -0.750 118.292 119.300 -0.431 0.000 2.422 1245 C HA -0.154 4.305 4.460 -0.000 0.000 0.279 1245 C C 1.717 176.492 174.990 -0.359 0.000 1.305 1245 C CA 0.299 59.055 59.018 -0.435 0.000 1.757 1245 C CB -1.075 26.277 27.740 -0.647 0.000 1.962 1245 C HN 0.590 nan 8.230 nan 0.000 0.499 1246 W N 1.074 122.148 121.300 -0.376 0.000 3.213 1246 W HA 0.301 4.961 4.660 -0.001 0.000 0.430 1246 W C 0.360 176.885 176.519 0.010 0.000 0.975 1246 W CA -0.556 56.504 57.345 -0.477 0.000 2.015 1246 W CB -1.168 27.815 29.460 -0.794 0.000 1.047 1246 W HN 0.398 nan 8.180 nan 0.000 0.797 1247 Q N 0.236 120.159 119.800 0.205 0.000 2.311 1247 Q HA -0.101 4.239 4.340 -0.000 0.000 0.272 1247 Q C 1.056 177.242 176.000 0.311 0.000 1.012 1247 Q CA 0.182 56.100 55.803 0.192 0.000 0.891 1247 Q CB 0.876 29.661 28.738 0.078 0.000 1.201 1247 Q HN 0.350 nan 8.270 nan 0.000 0.391 1248 Y N 3.726 124.126 120.300 0.168 0.000 2.128 1248 Y HA -0.262 4.287 4.550 -0.000 0.000 0.284 1248 Y C 0.201 176.130 175.900 0.049 0.000 1.154 1248 Y CA 1.488 59.661 58.100 0.121 0.000 1.149 1248 Y CB 0.311 38.795 38.460 0.040 0.000 0.976 1248 Y HN 0.620 nan 8.280 nan 0.000 0.505 1249 N N 2.510 121.325 118.700 0.192 0.000 2.452 1249 N HA 0.024 4.764 4.740 -0.000 0.000 0.266 1249 N C -1.770 173.706 175.510 -0.058 0.000 1.175 1249 N CA -0.721 52.358 53.050 0.049 0.000 0.945 1249 N CB 0.618 39.127 38.487 0.037 0.000 1.063 1249 N HN 0.216 nan 8.380 nan 0.000 0.472 1250 P HA -0.213 nan 4.420 nan 0.000 0.216 1250 P C 0.467 177.383 177.300 -0.640 0.000 1.150 1250 P CA 1.427 64.376 63.100 -0.251 0.000 0.837 1250 P CB 0.344 31.968 31.700 -0.127 0.000 0.786 1251 K N -0.948 119.058 120.400 -0.657 0.000 2.362 1251 K HA 0.043 4.362 4.320 -0.000 0.000 0.200 1251 K C 2.161 178.579 176.600 -0.304 0.000 1.046 1251 K CA 0.945 56.851 56.287 -0.635 0.000 0.952 1251 K CB -0.306 31.991 32.500 -0.339 0.000 0.753 1251 K HN 0.244 nan 8.250 nan 0.000 0.466 1252 M N 0.203 119.686 119.600 -0.195 0.000 2.514 1252 M HA -0.006 4.474 4.480 -0.000 0.000 0.258 1252 M C 0.267 176.516 176.300 -0.084 0.000 1.119 1252 M CA 0.594 55.835 55.300 -0.098 0.000 1.111 1252 M CB 0.262 32.836 32.600 -0.042 0.000 1.390 1252 M HN -0.055 nan 8.290 nan 0.000 0.475 1253 R N 1.672 122.113 120.500 -0.098 0.000 2.539 1253 R HA 0.212 4.552 4.340 -0.000 0.000 0.275 1253 R C -2.228 174.021 176.300 -0.085 0.000 1.077 1253 R CA -1.506 54.551 56.100 -0.072 0.000 1.097 1253 R CB -0.403 29.884 30.300 -0.022 0.000 1.018 1253 R HN 0.001 nan 8.270 nan 0.000 0.483 1254 P HA -0.009 nan 4.420 nan 0.000 0.272 1254 P C -0.585 176.632 177.300 -0.139 0.000 1.230 1254 P CA -0.302 62.737 63.100 -0.101 0.000 0.788 1254 P CB 0.989 32.621 31.700 -0.113 0.000 0.949 1255 S N 0.263 115.907 115.700 -0.093 0.000 2.681 1255 S HA 0.270 4.739 4.470 -0.000 0.000 0.270 1255 S C 1.103 175.573 174.600 -0.217 0.000 1.209 1255 S CA -0.412 57.727 58.200 -0.102 0.000 0.988 1255 S CB -0.075 63.154 63.200 0.048 0.000 1.006 1255 S HN 0.245 nan 8.310 nan 0.000 0.558 1256 F N 0.124 120.065 119.950 -0.016 0.000 2.171 1256 F HA 0.063 4.589 4.527 -0.000 0.000 0.300 1256 F C 2.098 177.886 175.800 -0.020 0.000 1.090 1256 F CA 0.973 58.915 58.000 -0.096 0.000 1.293 1256 F CB -0.699 38.254 39.000 -0.079 0.000 1.013 1256 F HN 0.414 nan 8.300 nan 0.000 0.486 1257 L N -0.340 121.025 121.223 0.238 0.000 2.083 1257 L HA -0.201 4.139 4.340 -0.000 0.000 0.209 1257 L C 2.256 179.222 176.870 0.161 0.000 1.083 1257 L CA 1.431 56.431 54.840 0.268 0.000 0.752 1257 L CB -0.645 41.571 42.059 0.262 0.000 0.899 1257 L HN 0.191 nan 8.230 nan 0.000 0.433 1258 E N 0.292 120.536 120.200 0.074 0.000 2.106 1258 E HA -0.200 4.150 4.350 -0.000 0.000 0.192 1258 E C 2.264 178.846 176.600 -0.029 0.000 0.984 1258 E CA 1.090 57.504 56.400 0.023 0.000 0.806 1258 E CB -0.102 29.596 29.700 -0.003 0.000 0.750 1258 E HN 0.487 nan 8.360 nan 0.000 0.458 1259 I N 1.197 121.729 120.570 -0.063 0.000 2.163 1259 I HA -0.294 3.876 4.170 -0.000 0.000 0.243 1259 I C 2.394 178.462 176.117 -0.082 0.000 1.085 1259 I CA 1.164 62.417 61.300 -0.078 0.000 1.347 1259 I CB -0.283 37.635 38.000 -0.138 0.000 1.044 1259 I HN 0.102 nan 8.210 nan 0.000 0.408 1260 I N 0.031 120.531 120.570 -0.116 0.000 2.179 1260 I HA -0.291 3.879 4.170 -0.000 0.000 0.242 1260 I C 2.674 178.602 176.117 -0.315 0.000 1.088 1260 I CA 1.282 62.431 61.300 -0.251 0.000 1.357 1260 I CB -0.451 37.316 38.000 -0.388 0.000 1.051 1260 I HN 0.153 nan 8.210 nan 0.000 0.409 1261 S N 0.798 116.350 115.700 -0.246 0.000 2.365 1261 S HA -0.220 4.250 4.470 -0.000 0.000 0.225 1261 S C 2.103 176.661 174.600 -0.070 0.000 1.039 1261 S CA 2.011 60.141 58.200 -0.116 0.000 1.033 1261 S CB -0.440 62.773 63.200 0.021 0.000 0.887 1261 S HN 0.654 nan 8.310 nan 0.000 0.447 1262 S N 1.438 117.101 115.700 -0.060 0.000 2.515 1262 S HA 0.025 4.495 4.470 -0.000 0.000 0.231 1262 S C 1.224 175.794 174.600 -0.049 0.000 0.987 1262 S CA 0.739 58.914 58.200 -0.042 0.000 0.936 1262 S CB -0.697 62.480 63.200 -0.038 0.000 0.766 1262 S HN 0.748 nan 8.310 nan 0.000 0.528 1263 I N -1.886 118.638 120.570 -0.078 0.000 3.817 1263 I HA 0.418 4.587 4.170 -0.000 0.000 0.325 1263 I C 1.218 177.270 176.117 -0.107 0.000 1.550 1263 I CA -0.726 60.525 61.300 -0.082 0.000 1.100 1263 I CB 0.286 38.236 38.000 -0.084 0.000 1.216 1263 I HN 0.092 nan 8.210 nan 0.000 0.481 1264 K N 0.661 121.011 120.400 -0.084 0.000 2.228 1264 K HA 0.079 4.398 4.320 -0.000 0.000 0.202 1264 K C 0.916 177.544 176.600 0.046 0.000 1.051 1264 K CA 0.824 57.099 56.287 -0.019 0.000 0.960 1264 K CB -0.048 32.477 32.500 0.043 0.000 0.743 1264 K HN 0.328 nan 8.250 nan 0.000 0.458 1265 E N 1.216 121.431 120.200 0.026 0.000 2.482 1265 E HA -0.075 4.274 4.350 -0.000 0.000 0.196 1265 E C 1.075 177.677 176.600 0.004 0.000 1.047 1265 E CA 0.601 57.020 56.400 0.032 0.000 0.869 1265 E CB 0.239 29.954 29.700 0.025 0.000 0.836 1265 E HN 0.473 nan 8.360 nan 0.000 0.520 1266 E N -0.258 119.927 120.200 -0.026 0.000 2.431 1266 E HA 0.090 4.439 4.350 -0.000 0.000 0.200 1266 E C 0.742 177.303 176.600 -0.065 0.000 0.995 1266 E CA 0.046 56.421 56.400 -0.041 0.000 0.915 1266 E CB 0.305 29.974 29.700 -0.052 0.000 0.930 1266 E HN 0.155 nan 8.360 nan 0.000 0.496 1267 M N 1.333 120.875 119.600 -0.096 0.000 2.243 1267 M HA 0.143 4.623 4.480 -0.000 0.000 0.341 1267 M C 0.469 176.747 176.300 -0.036 0.000 1.130 1267 M CA -0.041 55.167 55.300 -0.153 0.000 1.162 1267 M CB 0.150 32.534 32.600 -0.359 0.000 1.497 1267 M HN -0.144 nan 8.290 nan 0.000 0.456 1268 E N 3.746 123.940 120.200 -0.009 0.000 2.398 1268 E HA 0.023 4.373 4.350 -0.000 0.000 0.263 1268 E C -1.297 175.354 176.600 0.084 0.000 1.046 1268 E CA -1.150 55.276 56.400 0.043 0.000 0.908 1268 E CB 0.631 30.367 29.700 0.059 0.000 0.963 1268 E HN 0.392 nan 8.360 nan 0.000 0.431 1269 P HA -0.218 nan 4.420 nan 0.000 0.216 1269 P C 1.182 178.493 177.300 0.017 0.000 1.150 1269 P CA 1.507 64.617 63.100 0.018 0.000 0.843 1269 P CB 0.108 31.810 31.700 0.004 0.000 0.787 1270 G N -0.588 108.244 108.800 0.054 0.000 2.450 1270 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.220 1270 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.220 1270 G C 1.367 176.311 174.900 0.073 0.000 1.130 1270 G CA 0.256 45.382 45.100 0.043 0.000 0.760 1270 G HN 0.192 nan 8.290 nan 0.000 0.557 1271 F N 1.388 121.338 119.950 0.001 0.000 2.202 1271 F HA -0.041 4.486 4.527 -0.000 0.000 0.301 1271 F C 2.688 178.463 175.800 -0.042 0.000 1.082 1271 F CA 1.436 59.470 58.000 0.057 0.000 1.313 1271 F CB -0.050 38.992 39.000 0.070 0.000 1.024 1271 F HN 0.015 nan 8.300 nan 0.000 0.495 1272 R N -0.289 120.103 120.500 -0.179 0.000 2.120 1272 R HA -0.186 4.154 4.340 -0.000 0.000 0.234 1272 R C 1.977 178.085 176.300 -0.320 0.000 1.123 1272 R CA 1.557 57.309 56.100 -0.579 0.000 0.975 1272 R CB -0.268 29.709 30.300 -0.537 0.000 0.866 1272 R HN 0.244 nan 8.270 nan 0.000 0.446 1273 E N -0.273 119.815 120.200 -0.187 0.000 2.250 1273 E HA -0.076 4.274 4.350 -0.000 0.000 0.192 1273 E C 1.549 178.057 176.600 -0.153 0.000 0.986 1273 E CA 0.712 57.029 56.400 -0.138 0.000 0.849 1273 E CB 0.509 30.145 29.700 -0.105 0.000 0.797 1273 E HN 0.233 nan 8.360 nan 0.000 0.482 1274 V N -1.900 117.899 119.914 -0.191 0.000 3.635 1274 V HA 0.311 4.431 4.120 -0.000 0.000 0.266 1274 V C 0.913 176.942 176.094 -0.107 0.000 1.316 1274 V CA 0.175 62.328 62.300 -0.245 0.000 1.060 1274 V CB -0.224 31.253 31.823 -0.576 0.000 0.820 1274 V HN 0.168 nan 8.190 nan 0.000 0.447 1275 S N 0.220 115.797 115.700 -0.204 0.000 2.585 1275 S HA 0.290 4.760 4.470 -0.000 0.000 0.273 1275 S C 0.646 175.272 174.600 0.044 0.000 1.339 1275 S CA 0.133 58.203 58.200 -0.217 0.000 1.028 1275 S CB 0.823 63.334 63.200 -1.148 0.000 0.906 1275 S HN 0.485 nan 8.310 nan 0.000 0.528 1276 F N 2.641 122.621 119.950 0.051 0.000 2.259 1276 F HA 0.021 4.548 4.527 -0.000 0.000 0.298 1276 F C 1.801 177.667 175.800 0.109 0.000 1.088 1276 F CA 0.867 58.934 58.000 0.111 0.000 1.358 1276 F CB -0.818 38.308 39.000 0.209 0.000 1.040 1276 F HN 0.823 nan 8.300 nan 0.000 0.505 1277 Y N 0.261 120.471 120.300 -0.150 0.000 2.069 1277 Y HA -0.341 4.209 4.550 -0.000 0.000 0.278 1277 Y C 1.655 177.353 175.900 -0.337 0.000 1.175 1277 Y CA 2.464 60.404 58.100 -0.266 0.000 1.134 1277 Y CB -0.967 37.476 38.460 -0.028 0.000 0.965 1277 Y HN 0.154 nan 8.280 nan 0.000 0.498 1278 Y N -0.077 120.107 120.300 -0.195 0.000 2.466 1278 Y HA 0.151 4.700 4.550 -0.000 0.000 0.272 1278 Y C 1.488 177.267 175.900 -0.200 0.000 1.169 1278 Y CA 0.151 58.130 58.100 -0.201 0.000 1.285 1278 Y CB -0.553 37.876 38.460 -0.051 0.000 1.078 1278 Y HN 0.018 nan 8.280 nan 0.000 0.523 1279 S N 0.576 116.230 115.700 -0.077 0.000 2.584 1279 S HA -0.027 4.443 4.470 -0.000 0.000 0.270 1279 S C 1.357 175.904 174.600 -0.089 0.000 1.346 1279 S CA -0.141 58.034 58.200 -0.043 0.000 1.018 1279 S CB 1.075 64.303 63.200 0.048 0.000 0.899 1279 S HN 0.581 nan 8.310 nan 0.000 0.542 1280 E N 1.762 121.951 120.200 -0.017 0.000 2.026 1280 E HA -0.347 4.003 4.350 -0.000 0.000 0.206 1280 E C 1.547 178.133 176.600 -0.024 0.000 1.028 1280 E CA 1.841 58.232 56.400 -0.014 0.000 0.845 1280 E CB -0.990 28.725 29.700 0.025 0.000 0.772 1280 E HN 0.877 nan 8.360 nan 0.000 0.462 1281 E N 1.094 121.330 120.200 0.061 0.000 2.233 1281 E HA -0.239 4.111 4.350 -0.000 0.000 0.210 1281 E C 0.686 177.321 176.600 0.058 0.000 1.046 1281 E CA 0.992 57.485 56.400 0.154 0.000 0.844 1281 E CB -0.500 29.449 29.700 0.415 0.000 0.741 1281 E HN 0.237 nan 8.360 nan 0.000 0.465 1282 N N 1.790 120.333 118.700 -0.261 0.000 2.423 1282 N HA -0.028 4.711 4.740 -0.000 0.000 0.275 1282 N C -0.778 174.618 175.510 -0.191 0.000 1.283 1282 N CA 0.741 53.540 53.050 -0.417 0.000 0.932 1282 N CB 0.316 38.350 38.487 -0.755 0.000 1.185 1282 N HN 0.095 nan 8.380 nan 0.000 0.483 1283 K N 0.000 120.357 120.400 -0.071 0.000 2.780 1283 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 1283 K CA 0.000 56.260 56.287 -0.044 0.000 0.838 1283 K CB 0.000 32.500 32.500 -0.001 0.000 1.064 1283 K HN 0.000 nan 8.250 nan 0.000 0.543