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_B 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 58.198 58.200 -0.004 0.000 1.107 979 S CB 0.000 63.200 63.200 0.001 0.000 0.593 980 A N 0.703 123.519 122.820 -0.007 0.000 2.313 980 A HA 0.848 5.170 4.320 0.004 0.000 0.261 980 A C 0.724 178.306 177.584 -0.003 0.000 1.090 980 A CA -0.146 51.886 52.037 -0.009 0.000 0.807 980 A CB -0.243 18.748 19.000 -0.015 0.000 1.055 980 A HN 2.053 nan 8.150 nan 0.000 0.492 981 A N 0.386 123.203 122.820 -0.005 0.000 2.354 981 A HA 0.470 4.792 4.320 0.004 0.000 0.269 981 A C -0.381 177.211 177.584 0.012 0.000 1.109 981 A CA -0.480 51.558 52.037 0.002 0.000 0.800 981 A CB 0.038 19.037 19.000 -0.002 0.000 1.045 981 A HN 0.670 nan 8.150 nan 0.000 0.489 982 D N 1.693 122.106 120.400 0.021 0.000 2.885 982 D HA 0.292 4.935 4.640 0.004 0.000 0.234 982 D C 0.210 176.538 176.300 0.046 0.000 1.129 982 D CA 0.545 54.566 54.000 0.036 0.000 0.991 982 D CB -0.413 40.410 40.800 0.037 0.000 1.137 982 D HN 0.458 nan 8.370 nan 0.000 0.459 983 V N -1.716 118.226 119.914 0.046 0.000 3.160 983 V HA 0.656 4.779 4.120 0.004 0.000 0.310 983 V C -1.408 174.744 176.094 0.095 0.000 1.181 983 V CA -1.175 61.163 62.300 0.063 0.000 1.047 983 V CB 2.607 34.449 31.823 0.030 0.000 1.068 983 V HN 0.031 nan 8.190 nan 0.000 0.441 984 Y N 1.296 121.593 120.300 -0.006 0.000 2.329 984 Y HA 0.770 5.323 4.550 0.004 0.000 0.328 984 Y C -0.994 174.903 175.900 -0.005 0.000 0.992 984 Y CA -0.802 57.289 58.100 -0.013 0.000 1.151 984 Y CB 1.933 40.384 38.460 -0.014 0.000 1.150 984 Y HN 0.668 nan 8.280 nan 0.000 0.450 985 V N 8.819 128.388 119.914 -0.575 0.000 2.350 985 V HA 0.358 4.481 4.120 0.004 0.000 0.276 985 V C -2.146 173.643 176.094 -0.508 0.000 1.028 985 V CA -2.036 60.048 62.300 -0.360 0.000 0.860 985 V CB 1.060 32.750 31.823 -0.222 0.000 0.990 985 V HN 0.722 nan 8.190 nan 0.000 0.453 986 P HA 0.127 nan 4.420 nan 0.000 0.263 986 P C -0.833 176.474 177.300 0.011 0.000 1.195 986 P CA 0.055 63.203 63.100 0.080 0.000 0.762 986 P CB 0.447 32.236 31.700 0.148 0.000 0.799 987 D N 1.804 122.248 120.400 0.072 0.000 2.538 987 D HA 0.092 4.734 4.640 0.004 0.000 0.262 987 D C 0.883 177.245 176.300 0.103 0.000 1.186 987 D CA -0.402 53.647 54.000 0.082 0.000 1.090 987 D CB -0.114 40.773 40.800 0.144 0.000 1.187 987 D HN 0.303 nan 8.370 nan 0.000 0.614 988 E N -0.682 119.548 120.200 0.049 0.000 2.445 988 E HA -0.016 4.337 4.350 0.004 0.000 0.189 988 E C 0.455 176.984 176.600 -0.119 0.000 1.069 988 E CA -0.035 56.324 56.400 -0.068 0.000 0.871 988 E CB -0.597 29.000 29.700 -0.172 0.000 0.991 988 E HN 0.580 nan 8.360 nan 0.000 0.481 989 W N 1.274 122.588 121.300 0.024 0.000 2.996 989 W HA 0.208 4.870 4.660 0.003 0.000 0.270 989 W C 0.795 177.337 176.519 0.038 0.000 1.280 989 W CA -0.455 56.906 57.345 0.027 0.000 1.549 989 W CB 0.295 29.773 29.460 0.030 0.000 1.079 989 W HN -0.022 nan 8.180 nan 0.000 0.629 990 E N 0.862 121.218 120.200 0.259 0.000 2.467 990 E HA 0.143 4.496 4.350 0.004 0.000 0.264 990 E C -0.639 176.029 176.600 0.114 0.000 1.020 990 E CA 0.555 57.061 56.400 0.177 0.000 0.945 990 E CB 0.534 30.324 29.700 0.150 0.000 0.942 990 E HN -0.190 nan 8.360 nan 0.000 0.449 991 V N 2.916 122.884 119.914 0.090 0.000 2.808 991 V HA 0.555 4.677 4.120 0.004 0.000 0.308 991 V C -0.376 175.743 176.094 0.042 0.000 1.099 991 V CA -0.844 61.492 62.300 0.060 0.000 0.920 991 V CB 1.784 33.647 31.823 0.066 0.000 1.014 991 V HN 0.884 nan 8.190 nan 0.000 0.425 992 A N 3.415 126.252 122.820 0.029 0.000 2.548 992 A HA 0.193 4.516 4.320 0.004 0.000 0.247 992 A C 1.402 178.995 177.584 0.015 0.000 1.067 992 A CA 0.240 52.289 52.037 0.019 0.000 0.757 992 A CB -0.272 18.735 19.000 0.012 0.000 0.996 992 A HN 0.974 nan 8.150 nan 0.000 0.504 993 R N 1.471 121.977 120.500 0.011 0.000 2.211 993 R HA -0.167 4.176 4.340 0.004 0.000 0.240 993 R C 1.320 177.617 176.300 -0.004 0.000 1.144 993 R CA 1.832 57.933 56.100 0.002 0.000 0.992 993 R CB 0.047 30.345 30.300 -0.003 0.000 0.869 993 R HN 0.914 nan 8.270 nan 0.000 0.462 994 E N 0.014 120.213 120.200 -0.002 0.000 2.511 994 E HA -0.130 4.222 4.350 0.004 0.000 0.196 994 E C 0.626 177.223 176.600 -0.004 0.000 1.066 994 E CA 0.655 57.052 56.400 -0.006 0.000 0.871 994 E CB 0.135 29.833 29.700 -0.005 0.000 0.863 994 E HN 0.354 nan 8.360 nan 0.000 0.520 995 K N 0.469 120.869 120.400 0.001 0.000 2.374 995 K HA 0.194 4.516 4.320 0.004 0.000 0.196 995 K C 0.267 176.868 176.600 0.002 0.000 1.023 995 K CA -0.064 56.225 56.287 0.003 0.000 1.103 995 K CB 0.649 33.154 32.500 0.008 0.000 0.848 995 K HN 0.038 nan 8.250 nan 0.000 0.528 996 I N 0.866 121.434 120.570 -0.002 0.000 2.577 996 I HA 0.238 4.410 4.170 0.004 0.000 0.305 996 I C 0.160 176.264 176.117 -0.021 0.000 0.986 996 I CA -0.320 60.976 61.300 -0.006 0.000 1.189 996 I CB 1.761 39.758 38.000 -0.006 0.000 1.355 996 I HN -0.204 nan 8.210 nan 0.000 0.476 997 T N 5.534 120.074 114.554 -0.023 0.000 2.916 997 T HA 0.492 4.844 4.350 0.004 0.000 0.298 997 T C -0.519 174.151 174.700 -0.050 0.000 1.031 997 T CA -0.444 61.634 62.100 -0.036 0.000 0.993 997 T CB 1.764 70.619 68.868 -0.021 0.000 1.045 997 T HN 0.322 nan 8.240 nan 0.000 0.454 998 M N 2.175 121.720 119.600 -0.091 0.000 2.238 998 M HA 0.435 4.918 4.480 0.004 0.000 0.350 998 M C 0.879 177.140 176.300 -0.065 0.000 1.138 998 M CA 0.051 55.271 55.300 -0.132 0.000 1.040 998 M CB 1.394 33.798 32.600 -0.327 0.000 1.639 998 M HN 0.618 nan 8.290 nan 0.000 0.451 999 S N 2.886 118.585 115.700 -0.002 0.000 2.527 999 S HA 0.353 4.825 4.470 0.004 0.000 0.225 999 S C 0.094 174.730 174.600 0.059 0.000 1.046 999 S CA -0.039 58.175 58.200 0.023 0.000 0.929 999 S CB 0.319 63.538 63.200 0.031 0.000 0.851 999 S HN 0.751 nan 8.310 nan 0.000 0.565 1000 R N 0.775 121.350 120.500 0.125 0.000 2.716 1000 R HA 0.414 4.757 4.340 0.004 0.000 0.271 1000 R C -1.900 174.554 176.300 0.256 0.000 1.028 1000 R CA -0.811 55.383 56.100 0.157 0.000 0.883 1000 R CB 0.876 31.226 30.300 0.083 0.000 1.250 1000 R HN -0.055 nan 8.270 nan 0.000 0.465 1001 E N 1.191 121.498 120.200 0.177 0.000 2.366 1001 E HA 0.011 4.364 4.350 0.004 0.000 0.266 1001 E C 0.032 176.595 176.600 -0.060 0.000 1.015 1001 E CA -0.128 56.261 56.400 -0.018 0.000 0.906 1001 E CB 1.072 30.744 29.700 -0.046 0.000 0.979 1001 E HN 0.331 nan 8.360 nan 0.000 0.443 1002 L N 2.470 123.606 121.223 -0.145 0.000 2.408 1002 L HA 0.228 4.571 4.340 0.004 0.000 0.215 1002 L C 0.863 177.678 176.870 -0.091 0.000 1.081 1002 L CA 1.287 56.080 54.840 -0.078 0.000 0.840 1002 L CB 0.143 42.169 42.059 -0.055 0.000 1.002 1002 L HN 0.759 nan 8.230 nan 0.000 0.468 1003 G N -1.217 107.492 108.800 -0.151 0.000 2.404 1003 G HA2 0.280 4.243 3.960 0.004 0.000 0.253 1003 G HA3 0.280 4.243 3.960 0.004 0.000 0.253 1003 G C -1.651 173.159 174.900 -0.151 0.000 1.253 1003 G CA -0.406 44.623 45.100 -0.118 0.000 0.917 1003 G HN -0.036 nan 8.290 nan 0.000 0.480 1004 Q N -0.132 119.601 119.800 -0.111 0.000 2.274 1004 Q HA 0.646 4.988 4.340 0.004 0.000 0.268 1004 Q C 0.031 175.980 176.000 -0.087 0.000 1.015 1004 Q CA 0.274 56.010 55.803 -0.111 0.000 0.775 1004 Q CB 1.478 30.161 28.738 -0.092 0.000 1.256 1004 Q HN 1.186 nan 8.270 nan 0.000 0.442 1005 G N 0.896 109.644 108.800 -0.087 0.000 2.705 1005 G HA2 0.388 4.351 3.960 0.004 0.000 0.299 1005 G HA3 0.388 4.351 3.960 0.004 0.000 0.299 1005 G C 0.282 175.143 174.900 -0.065 0.000 1.315 1005 G CA -0.254 44.807 45.100 -0.065 0.000 1.045 1005 G HN 0.661 nan 8.290 nan 0.000 0.517 1006 S N -0.669 114.996 115.700 -0.059 0.000 2.369 1006 S HA -0.165 4.307 4.470 0.004 0.000 0.225 1006 S C 1.888 176.370 174.600 -0.196 0.000 1.043 1006 S CA 1.808 59.927 58.200 -0.134 0.000 1.074 1006 S CB -0.399 62.721 63.200 -0.133 0.000 0.962 1006 S HN 0.434 nan 8.310 nan 0.000 0.433 1007 F N 1.103 120.996 119.950 -0.096 0.000 2.664 1007 F HA 0.358 4.887 4.527 0.004 0.000 0.296 1007 F C 1.503 177.162 175.800 -0.234 0.000 1.125 1007 F CA 0.508 58.411 58.000 -0.162 0.000 1.444 1007 F CB 0.214 39.057 39.000 -0.262 0.000 1.114 1007 F HN 0.391 nan 8.300 nan 0.000 0.576 1008 G N -0.592 108.180 108.800 -0.047 0.000 2.336 1008 G HA2 0.270 4.232 3.960 0.004 0.000 0.286 1008 G HA3 0.270 4.232 3.960 0.004 0.000 0.286 1008 G C -1.578 173.251 174.900 -0.118 0.000 1.269 1008 G CA -1.035 44.008 45.100 -0.096 0.000 0.873 1008 G HN -0.139 nan 8.290 nan 0.000 0.494 1009 M N 0.836 120.349 119.600 -0.144 0.000 2.228 1009 M HA 0.602 5.084 4.480 0.004 0.000 0.351 1009 M C -0.221 175.887 176.300 -0.320 0.000 1.233 1009 M CA -0.084 55.051 55.300 -0.275 0.000 1.129 1009 M CB 1.117 33.497 32.600 -0.367 0.000 1.604 1009 M HN 0.422 nan 8.290 nan 0.000 0.457 1010 V N 6.071 125.767 119.914 -0.363 0.000 2.630 1010 V HA 0.531 4.653 4.120 0.004 0.000 0.305 1010 V C -0.964 174.907 176.094 -0.371 0.000 1.046 1010 V CA -0.532 61.637 62.300 -0.219 0.000 0.934 1010 V CB 1.463 33.222 31.823 -0.106 0.000 1.003 1010 V HN 0.822 nan 8.190 nan 0.000 0.451 1011 Y N 0.769 121.069 120.300 0.000 0.000 2.634 1011 Y HA 0.543 5.096 4.550 0.004 0.000 0.340 1011 Y C 0.015 175.917 175.900 0.004 0.000 1.058 1011 Y CA -0.954 57.146 58.100 0.000 0.000 1.081 1011 Y CB 1.735 40.194 38.460 -0.002 0.000 1.295 1011 Y HN 0.601 nan 8.280 nan 0.000 0.487 1012 E N 0.557 120.876 120.200 0.199 0.000 2.158 1012 E HA 0.654 5.006 4.350 0.004 0.000 0.271 1012 E C -0.638 176.017 176.600 0.091 0.000 0.911 1012 E CA -0.410 56.053 56.400 0.106 0.000 0.767 1012 E CB 1.197 30.938 29.700 0.069 0.000 1.120 1012 E HN 0.859 nan 8.360 nan 0.000 0.405 1013 G N 1.741 110.577 108.800 0.060 0.000 2.782 1013 G HA2 0.502 4.465 3.960 0.004 0.000 0.304 1013 G HA3 0.502 4.465 3.960 0.004 0.000 0.304 1013 G C -1.394 173.519 174.900 0.022 0.000 1.315 1013 G CA -0.466 44.653 45.100 0.031 0.000 0.791 1013 G HN 0.409 nan 8.290 nan 0.000 0.519 1014 V N 0.112 120.032 119.914 0.011 0.000 2.604 1014 V HA 0.789 4.912 4.120 0.004 0.000 0.305 1014 V C 0.081 176.181 176.094 0.011 0.000 1.043 1014 V CA -0.449 61.857 62.300 0.011 0.000 0.888 1014 V CB 1.345 33.170 31.823 0.005 0.000 0.995 1014 V HN 1.298 nan 8.190 nan 0.000 0.429 1015 A N 3.719 126.549 122.820 0.016 0.000 2.365 1015 A HA 0.900 5.222 4.320 0.004 0.000 0.318 1015 A C -0.781 176.812 177.584 0.015 0.000 1.091 1015 A CA -0.794 51.255 52.037 0.019 0.000 0.763 1015 A CB 1.562 20.580 19.000 0.031 0.000 1.248 1015 A HN 0.660 nan 8.150 nan 0.000 0.442 1016 K N 0.627 121.034 120.400 0.012 0.000 2.213 1016 K HA 0.575 4.897 4.320 0.004 0.000 0.270 1016 K C 0.833 177.438 176.600 0.007 0.000 1.002 1016 K CA 0.787 57.078 56.287 0.007 0.000 0.868 1016 K CB 1.256 33.758 32.500 0.003 0.000 1.093 1016 K HN 1.692 nan 8.250 nan 0.000 0.454 1017 G N 1.616 110.418 108.800 0.004 0.000 2.143 1017 G HA2 -0.274 3.689 3.960 0.004 0.000 0.248 1017 G HA3 -0.274 3.689 3.960 0.004 0.000 0.248 1017 G C 0.638 175.538 174.900 -0.001 0.000 0.991 1017 G CA 0.543 45.642 45.100 -0.002 0.000 0.689 1017 G HN 0.579 nan 8.290 nan 0.000 0.522 1018 V N -3.178 116.743 119.914 0.012 0.000 2.649 1018 V HA 0.425 4.547 4.120 0.004 0.000 0.248 1018 V C 1.351 177.455 176.094 0.017 0.000 1.054 1018 V CA 1.013 63.327 62.300 0.023 0.000 1.073 1018 V CB 0.061 31.913 31.823 0.050 0.000 0.699 1018 V HN 0.431 nan 8.190 nan 0.000 0.463 1019 V N 1.014 120.935 119.914 0.013 0.000 2.483 1019 V HA 0.330 4.452 4.120 0.004 0.000 0.295 1019 V C 0.319 176.411 176.094 -0.002 0.000 1.035 1019 V CA -1.071 61.235 62.300 0.010 0.000 0.896 1019 V CB 1.579 33.412 31.823 0.016 0.000 0.986 1019 V HN 0.360 nan 8.190 nan 0.000 0.447 1020 K N 3.665 124.061 120.400 -0.007 0.000 2.430 1020 K HA -0.026 4.297 4.320 0.004 0.000 0.280 1020 K C 0.565 177.161 176.600 -0.007 0.000 1.063 1020 K CA 0.730 57.009 56.287 -0.012 0.000 1.071 1020 K CB -0.121 32.371 32.500 -0.013 0.000 0.899 1020 K HN 0.856 nan 8.250 nan 0.000 0.473 1021 D N 1.043 121.437 120.400 -0.009 0.000 2.332 1021 D HA -0.248 4.395 4.640 0.004 0.000 0.166 1021 D C -0.032 176.266 176.300 -0.004 0.000 1.574 1021 D CA 1.535 55.531 54.000 -0.007 0.000 1.598 1021 D CB -0.382 40.415 40.800 -0.005 0.000 1.354 1021 D HN 0.807 nan 8.370 nan 0.000 0.481 1022 E N 2.462 122.662 120.200 -0.001 0.000 2.415 1022 E HA 0.102 4.455 4.350 0.004 0.000 0.260 1022 E C -1.686 174.915 176.600 0.001 0.000 1.016 1022 E CA -1.041 55.359 56.400 0.001 0.000 0.924 1022 E CB 1.293 30.995 29.700 0.005 0.000 0.961 1022 E HN -0.016 nan 8.360 nan 0.000 0.459 1023 P HA -0.203 nan 4.420 nan 0.000 0.213 1023 P C -0.569 176.732 177.300 0.001 0.000 1.176 1023 P CA 1.546 64.645 63.100 -0.000 0.000 0.919 1023 P CB 0.104 31.804 31.700 -0.000 0.000 0.791 1024 E N -2.568 117.634 120.200 0.003 0.000 2.356 1024 E HA 0.441 4.794 4.350 0.004 0.000 0.275 1024 E C -1.315 175.289 176.600 0.007 0.000 0.904 1024 E CA -0.798 55.605 56.400 0.005 0.000 0.757 1024 E CB 1.536 31.238 29.700 0.004 0.000 1.232 1024 E HN -0.226 nan 8.360 nan 0.000 0.442 1025 T N 1.486 116.047 114.554 0.011 0.000 2.895 1025 T HA 0.406 4.758 4.350 0.004 0.000 0.283 1025 T C -0.320 174.389 174.700 0.014 0.000 1.014 1025 T CA -0.773 61.335 62.100 0.013 0.000 1.037 1025 T CB 1.267 70.147 68.868 0.019 0.000 1.006 1025 T HN 0.430 nan 8.240 nan 0.000 0.468 1026 R N 2.027 122.533 120.500 0.011 0.000 2.229 1026 R HA 0.592 4.934 4.340 0.004 0.000 0.328 1026 R C -0.322 175.988 176.300 0.017 0.000 1.009 1026 R CA -0.449 55.659 56.100 0.013 0.000 0.864 1026 R CB 0.198 30.502 30.300 0.007 0.000 1.085 1026 R HN 0.592 nan 8.270 nan 0.000 0.453 1027 V N 0.585 120.514 119.914 0.026 0.000 3.145 1027 V HA 0.933 5.056 4.120 0.004 0.000 0.311 1027 V C -0.800 175.320 176.094 0.044 0.000 1.238 1027 V CA -1.065 61.255 62.300 0.033 0.000 1.066 1027 V CB 1.733 33.581 31.823 0.041 0.000 1.144 1027 V HN 0.788 nan 8.190 nan 0.000 0.465 1028 A N 1.082 123.931 122.820 0.048 0.000 2.303 1028 A HA 0.875 5.198 4.320 0.004 0.000 0.320 1028 A C -0.685 176.947 177.584 0.081 0.000 1.192 1028 A CA -0.596 51.477 52.037 0.060 0.000 0.821 1028 A CB 0.539 19.563 19.000 0.039 0.000 1.188 1028 A HN 0.836 nan 8.150 nan 0.000 0.492 1029 I N 2.808 123.451 120.570 0.122 0.000 2.359 1029 I HA 0.228 4.401 4.170 0.004 0.000 0.284 1029 I C -0.099 176.122 176.117 0.173 0.000 1.018 1029 I CA -0.224 61.167 61.300 0.150 0.000 1.173 1029 I CB 1.501 39.599 38.000 0.163 0.000 1.326 1029 I HN 0.566 nan 8.210 nan 0.000 0.462 1030 K N 5.216 125.714 120.400 0.163 0.000 2.276 1030 K HA 0.424 4.746 4.320 0.004 0.000 0.285 1030 K C 0.138 176.843 176.600 0.174 0.000 1.062 1030 K CA -0.378 56.017 56.287 0.180 0.000 0.918 1030 K CB 1.307 33.971 32.500 0.274 0.000 1.055 1030 K HN 0.638 nan 8.250 nan 0.000 0.477 1031 T N -1.817 112.731 114.554 -0.010 0.000 2.940 1031 T HA 0.522 4.874 4.350 0.004 0.000 0.288 1031 T C -0.233 174.211 174.700 -0.426 0.000 1.045 1031 T CA -0.882 61.133 62.100 -0.142 0.000 1.018 1031 T CB 1.361 70.255 68.868 0.044 0.000 1.151 1031 T HN 0.124 nan 8.240 nan 0.000 0.529 1032 V N 2.648 122.305 119.914 -0.427 0.000 2.384 1032 V HA 0.380 4.502 4.120 0.004 0.000 0.287 1032 V C 0.561 176.563 176.094 -0.152 0.000 1.020 1032 V CA -1.231 60.840 62.300 -0.382 0.000 0.850 1032 V CB 1.142 32.718 31.823 -0.412 0.000 0.987 1032 V HN 0.912 nan 8.190 nan 0.000 0.436 1033 N N 3.067 121.712 118.700 -0.093 0.000 2.236 1033 N HA -0.055 4.687 4.740 0.004 0.000 0.238 1033 N C 1.294 176.783 175.510 -0.036 0.000 1.244 1033 N CA 0.448 53.468 53.050 -0.050 0.000 0.848 1033 N CB 0.887 39.350 38.487 -0.040 0.000 1.094 1033 N HN 0.719 nan 8.380 nan 0.000 0.448 1034 E N 1.396 121.582 120.200 -0.023 0.000 2.077 1034 E HA -0.190 4.162 4.350 0.004 0.000 0.193 1034 E C 1.564 178.157 176.600 -0.012 0.000 0.989 1034 E CA 1.412 57.803 56.400 -0.016 0.000 0.800 1034 E CB -0.047 29.647 29.700 -0.010 0.000 0.746 1034 E HN 0.685 nan 8.360 nan 0.000 0.452 1035 A N 1.822 124.635 122.820 -0.012 0.000 1.969 1035 A HA 0.055 4.377 4.320 0.004 0.000 0.218 1035 A C 1.496 179.078 177.584 -0.003 0.000 1.169 1035 A CA 0.806 52.838 52.037 -0.008 0.000 0.635 1035 A CB -0.541 18.452 19.000 -0.012 0.000 0.810 1035 A HN 0.266 nan 8.150 nan 0.000 0.445 1036 A N 0.666 123.485 122.820 -0.002 0.000 2.613 1036 A HA 0.354 4.676 4.320 0.004 0.000 0.230 1036 A C 0.999 178.596 177.584 0.022 0.000 1.051 1036 A CA 0.505 52.551 52.037 0.014 0.000 0.754 1036 A CB -0.318 18.702 19.000 0.033 0.000 0.979 1036 A HN 1.259 nan 8.150 nan 0.000 0.510 1037 S N 2.273 117.993 115.700 0.033 0.000 2.669 1037 S HA 0.427 4.900 4.470 0.004 0.000 0.270 1037 S C 1.222 175.850 174.600 0.045 0.000 1.225 1037 S CA -0.406 57.813 58.200 0.033 0.000 0.991 1037 S CB 0.522 63.741 63.200 0.031 0.000 0.987 1037 S HN 0.550 nan 8.310 nan 0.000 0.552 1038 M N 0.329 119.952 119.600 0.039 0.000 2.149 1038 M HA -0.053 4.430 4.480 0.004 0.000 0.261 1038 M C 2.171 178.508 176.300 0.060 0.000 1.064 1038 M CA 1.530 56.856 55.300 0.043 0.000 1.102 1038 M CB -1.653 30.969 32.600 0.036 0.000 1.369 1038 M HN 0.848 nan 8.290 nan 0.000 0.408 1039 R N 1.106 121.643 120.500 0.062 0.000 2.080 1039 R HA -0.139 4.203 4.340 0.004 0.000 0.236 1039 R C 1.927 178.297 176.300 0.116 0.000 1.137 1039 R CA 1.989 58.134 56.100 0.075 0.000 0.943 1039 R CB -0.505 29.831 30.300 0.061 0.000 0.846 1039 R HN 0.521 nan 8.270 nan 0.000 0.431 1040 E N -0.331 119.950 120.200 0.136 0.000 2.153 1040 E HA -0.194 4.159 4.350 0.004 0.000 0.194 1040 E C 2.154 178.922 176.600 0.279 0.000 0.988 1040 E CA 1.240 57.788 56.400 0.246 0.000 0.811 1040 E CB -0.149 29.674 29.700 0.203 0.000 0.746 1040 E HN 0.350 nan 8.360 nan 0.000 0.466 1041 R N 0.379 120.967 120.500 0.147 0.000 2.092 1041 R HA -0.063 4.280 4.340 0.004 0.000 0.231 1041 R C 2.277 178.626 176.300 0.083 0.000 1.119 1041 R CA 0.791 56.945 56.100 0.089 0.000 0.970 1041 R CB -0.118 30.206 30.300 0.039 0.000 0.864 1041 R HN 0.157 nan 8.270 nan 0.000 0.440 1042 I N 1.077 121.701 120.570 0.091 0.000 2.394 1042 I HA -0.180 3.992 4.170 0.004 0.000 0.251 1042 I C 2.308 178.466 176.117 0.070 0.000 1.136 1042 I CA 1.250 62.599 61.300 0.082 0.000 1.425 1042 I CB -0.749 37.303 38.000 0.086 0.000 1.079 1042 I HN 0.179 nan 8.210 nan 0.000 0.425 1043 E N 0.300 120.573 120.200 0.122 0.000 2.107 1043 E HA -0.199 4.154 4.350 0.004 0.000 0.191 1043 E C 2.104 178.704 176.600 0.000 0.000 0.982 1043 E CA 0.781 57.262 56.400 0.135 0.000 0.809 1043 E CB -0.257 29.626 29.700 0.305 0.000 0.756 1043 E HN 0.380 nan 8.360 nan 0.000 0.459 1044 F N 1.165 120.892 119.950 -0.372 0.000 2.171 1044 F HA -0.141 4.389 4.527 0.004 0.000 0.300 1044 F C 2.070 177.630 175.800 -0.400 0.000 1.090 1044 F CA 1.109 58.609 58.000 -0.832 0.000 1.293 1044 F CB -0.175 38.197 39.000 -1.047 0.000 1.013 1044 F HN -0.049 nan 8.300 nan 0.000 0.486 1045 L N -0.197 120.873 121.223 -0.256 0.000 2.109 1045 L HA -0.187 4.155 4.340 0.004 0.000 0.207 1045 L C 2.237 178.956 176.870 -0.251 0.000 1.086 1045 L CA 0.924 55.573 54.840 -0.318 0.000 0.760 1045 L CB -0.825 41.048 42.059 -0.309 0.000 0.910 1045 L HN 0.115 nan 8.230 nan 0.000 0.437 1046 N N 0.254 118.854 118.700 -0.168 0.000 2.166 1046 N HA -0.176 4.567 4.740 0.004 0.000 0.186 1046 N C 1.702 177.013 175.510 -0.332 0.000 1.019 1046 N CA 1.216 54.170 53.050 -0.160 0.000 0.856 1046 N CB -0.031 38.407 38.487 -0.081 0.000 0.993 1046 N HN 0.458 nan 8.380 nan 0.000 0.426 1047 E N 0.776 120.656 120.200 -0.534 0.000 2.072 1047 E HA -0.037 4.316 4.350 0.004 0.000 0.190 1047 E C 2.002 178.010 176.600 -0.988 0.000 0.982 1047 E CA 0.862 56.757 56.400 -0.841 0.000 0.803 1047 E CB -0.061 28.823 29.700 -1.359 0.000 0.755 1047 E HN 0.307 nan 8.360 nan 0.000 0.453 1048 A N 1.309 123.525 122.820 -1.006 0.000 1.883 1048 A HA -0.196 4.127 4.320 0.004 0.000 0.217 1048 A C 2.352 179.591 177.584 -0.575 0.000 1.186 1048 A CA 1.715 53.320 52.037 -0.720 0.000 0.624 1048 A CB -0.585 18.058 19.000 -0.594 0.000 0.822 1048 A HN 0.122 nan 8.150 nan 0.000 0.444 1049 S N -0.454 114.971 115.700 -0.459 0.000 2.440 1049 S HA -0.118 4.354 4.470 0.004 0.000 0.238 1049 S C 1.733 176.058 174.600 -0.459 0.000 1.010 1049 S CA 1.281 59.248 58.200 -0.388 0.000 0.972 1049 S CB -0.397 62.686 63.200 -0.196 0.000 0.774 1049 S HN 0.362 nan 8.310 nan 0.000 0.501 1050 V N 1.737 121.344 119.914 -0.512 0.000 2.427 1050 V HA -0.079 4.043 4.120 0.004 0.000 0.248 1050 V C 1.994 177.472 176.094 -1.026 0.000 1.051 1050 V CA 1.413 63.355 62.300 -0.598 0.000 1.048 1050 V CB -0.526 30.979 31.823 -0.529 0.000 0.666 1050 V HN 0.538 nan 8.190 nan 0.000 0.456 1051 M N -0.744 118.299 119.600 -0.929 0.000 2.630 1051 M HA -0.075 4.407 4.480 0.004 0.000 0.254 1051 M C 1.932 177.764 176.300 -0.779 0.000 1.092 1051 M CA 1.084 55.790 55.300 -0.990 0.000 1.087 1051 M CB -0.347 32.012 32.600 -0.401 0.000 1.453 1051 M HN 0.283 nan 8.290 nan 0.000 0.509 1052 K N 0.300 120.243 120.400 -0.763 0.000 2.211 1052 K HA -0.090 4.232 4.320 0.004 0.000 0.203 1052 K C 1.433 177.918 176.600 -0.192 0.000 1.050 1052 K CA 0.738 56.608 56.287 -0.695 0.000 0.945 1052 K CB 0.052 32.128 32.500 -0.708 0.000 0.732 1052 K HN 0.261 nan 8.250 nan 0.000 0.451 1053 E N 0.116 120.132 120.200 -0.305 0.000 2.502 1053 E HA 0.021 4.374 4.350 0.004 0.000 0.194 1053 E C -0.159 176.555 176.600 0.189 0.000 1.062 1053 E CA 0.344 56.716 56.400 -0.047 0.000 0.867 1053 E CB 0.175 29.840 29.700 -0.059 0.000 0.888 1053 E HN 0.058 nan 8.360 nan 0.000 0.510 1054 F N 0.906 120.890 119.950 0.057 0.000 2.380 1054 F HA 0.334 4.863 4.527 0.005 0.000 0.321 1054 F C 0.954 176.790 175.800 0.061 0.000 1.103 1054 F CA -1.466 56.600 58.000 0.108 0.000 1.067 1054 F CB 0.460 39.453 39.000 -0.012 0.000 1.265 1054 F HN -0.189 nan 8.300 nan 0.000 0.517 1055 N N 0.436 119.203 118.700 0.112 0.000 3.286 1055 N HA 0.109 4.851 4.740 0.004 0.000 0.169 1055 N C -2.106 173.223 175.510 -0.300 0.000 1.375 1055 N CA 0.020 53.062 53.050 -0.013 0.000 1.093 1055 N CB -0.027 38.524 38.487 0.107 0.000 1.659 1055 N HN 0.674 nan 8.380 nan 0.000 0.629 1056 C N 1.918 120.938 119.300 -0.465 0.000 2.397 1056 C HA 0.436 4.898 4.460 0.004 0.000 0.325 1056 C C 1.819 176.680 174.990 -0.214 0.000 1.201 1056 C CA -0.468 58.235 59.018 -0.525 0.000 1.377 1056 C CB -0.084 26.999 27.740 -1.095 0.000 2.038 1056 C HN 0.878 nan 8.230 nan 0.000 0.457 1057 H N 2.394 121.344 119.070 -0.199 0.000 2.431 1057 H HA -0.162 4.396 4.556 0.004 0.000 0.297 1057 H C 0.959 176.064 175.328 -0.371 0.000 1.115 1057 H CA 2.458 58.349 56.048 -0.261 0.000 1.277 1057 H CB -0.005 29.576 29.762 -0.301 0.000 1.372 1057 H HN 0.888 nan 8.280 nan 0.000 0.516 1058 H N -1.398 117.640 119.070 -0.053 0.000 2.568 1058 H HA 0.395 4.953 4.556 0.003 0.000 0.302 1058 H C -0.731 174.541 175.328 -0.095 0.000 1.065 1058 H CA 0.012 56.026 56.048 -0.057 0.000 1.140 1058 H CB 0.405 30.219 29.762 0.088 0.000 1.474 1058 H HN -0.000 nan 8.280 nan 0.000 0.545 1059 V N 1.003 120.852 119.914 -0.108 0.000 2.623 1059 V HA 0.105 4.228 4.120 0.004 0.000 0.304 1059 V C -0.068 175.964 176.094 -0.102 0.000 1.054 1059 V CA -1.141 61.088 62.300 -0.119 0.000 0.882 1059 V CB 2.583 34.261 31.823 -0.242 0.000 1.002 1059 V HN -0.018 nan 8.190 nan 0.000 0.424 1060 V N 4.953 124.835 119.914 -0.053 0.000 2.539 1060 V HA 0.038 4.161 4.120 0.004 0.000 0.300 1060 V C 0.763 176.850 176.094 -0.011 0.000 1.019 1060 V CA 0.374 62.655 62.300 -0.033 0.000 1.160 1060 V CB 0.266 32.089 31.823 -0.001 0.000 0.901 1060 V HN 0.825 nan 8.190 nan 0.000 0.481 1061 R N 3.896 124.388 120.500 -0.013 0.000 2.441 1061 R HA 0.450 4.792 4.340 0.004 0.000 0.284 1061 R C -0.542 175.774 176.300 0.028 0.000 1.070 1061 R CA -0.576 55.536 56.100 0.021 0.000 1.047 1061 R CB 0.853 31.171 30.300 0.029 0.000 1.016 1061 R HN 0.628 nan 8.270 nan 0.000 0.477 1062 L N 5.309 126.537 121.223 0.008 0.000 2.290 1062 L HA 0.272 4.614 4.340 0.004 0.000 0.284 1062 L C -0.419 176.521 176.870 0.116 0.000 1.078 1062 L CA 0.406 55.214 54.840 -0.055 0.000 0.815 1062 L CB 1.052 42.920 42.059 -0.319 0.000 1.162 1062 L HN 0.838 nan 8.230 nan 0.000 0.435 1063 L N 4.550 125.863 121.223 0.149 0.000 2.537 1063 L HA 0.579 4.922 4.340 0.004 0.000 0.224 1063 L C 0.882 177.947 176.870 0.324 0.000 1.065 1063 L CA 0.338 55.330 54.840 0.252 0.000 0.860 1063 L CB 0.173 42.314 42.059 0.136 0.000 1.086 1063 L HN 0.824 nan 8.230 nan 0.000 0.482 1064 G N -0.722 108.221 108.800 0.238 0.000 2.466 1064 G HA2 0.519 4.481 3.960 0.004 0.000 0.291 1064 G HA3 0.519 4.481 3.960 0.004 0.000 0.291 1064 G C -2.080 172.891 174.900 0.120 0.000 1.460 1064 G CA -0.386 44.862 45.100 0.247 0.000 0.791 1064 G HN -0.306 nan 8.290 nan 0.000 0.505 1065 V N -0.466 119.524 119.914 0.126 0.000 2.841 1065 V HA 0.675 4.797 4.120 0.004 0.000 0.310 1065 V C -0.621 175.497 176.094 0.040 0.000 1.090 1065 V CA -0.687 61.633 62.300 0.032 0.000 0.930 1065 V CB 2.136 33.956 31.823 -0.005 0.000 1.014 1065 V HN 0.792 nan 8.190 nan 0.000 0.425 1066 V N 3.201 123.115 119.914 -0.001 0.000 2.340 1066 V HA 0.291 4.414 4.120 0.004 0.000 0.277 1066 V C 0.697 176.765 176.094 -0.043 0.000 1.017 1066 V CA 0.163 62.466 62.300 0.004 0.000 0.820 1066 V CB 1.278 33.112 31.823 0.019 0.000 1.028 1066 V HN 1.024 nan 8.190 nan 0.000 0.436 1067 S N 2.098 117.759 115.700 -0.066 0.000 2.540 1067 S HA 0.244 4.716 4.470 0.004 0.000 0.218 1067 S C 0.475 175.064 174.600 -0.018 0.000 0.977 1067 S CA -0.350 57.783 58.200 -0.112 0.000 0.918 1067 S CB 0.252 63.312 63.200 -0.232 0.000 0.806 1067 S HN 0.575 nan 8.310 nan 0.000 0.496 1068 Q N 1.678 121.483 119.800 0.008 0.000 2.307 1068 Q HA 0.670 5.012 4.340 0.004 0.000 0.262 1068 Q C 0.642 176.646 176.000 0.007 0.000 0.961 1068 Q CA 0.486 56.301 55.803 0.019 0.000 0.882 1068 Q CB 0.959 29.716 28.738 0.030 0.000 1.264 1068 Q HN 0.523 nan 8.270 nan 0.000 0.446 1069 G N 2.341 111.144 108.800 0.005 0.000 2.698 1069 G HA2 -0.141 3.821 3.960 0.004 0.000 0.225 1069 G HA3 -0.141 3.821 3.960 0.004 0.000 0.225 1069 G C -1.146 173.749 174.900 -0.008 0.000 1.345 1069 G CA -0.802 44.297 45.100 -0.001 0.000 0.871 1069 G HN 0.454 nan 8.290 nan 0.000 0.540 1070 Q N 0.187 119.980 119.800 -0.012 0.000 2.375 1070 Q HA 0.629 4.972 4.340 0.004 0.000 0.271 1070 Q C -2.028 173.960 176.000 -0.021 0.000 1.074 1070 Q CA -1.352 54.441 55.803 -0.017 0.000 0.808 1070 Q CB 2.479 31.208 28.738 -0.015 0.000 1.327 1070 Q HN 0.707 nan 8.270 nan 0.000 0.441 1071 P HA 0.309 nan 4.420 nan 0.000 0.281 1071 P C -0.616 176.665 177.300 -0.032 0.000 1.281 1071 P CA -0.443 62.639 63.100 -0.031 0.000 0.811 1071 P CB 0.708 32.389 31.700 -0.033 0.000 1.154 1072 T N 1.090 115.613 114.554 -0.051 0.000 2.799 1072 T HA 0.325 4.678 4.350 0.004 0.000 0.296 1072 T C 0.337 175.040 174.700 0.006 0.000 0.947 1072 T CA 0.083 62.163 62.100 -0.033 0.000 1.141 1072 T CB -0.455 68.388 68.868 -0.043 0.000 0.891 1072 T HN 0.158 nan 8.240 nan 0.000 0.533 1073 L N 3.043 124.299 121.223 0.056 0.000 2.322 1073 L HA 0.835 5.177 4.340 0.004 0.000 0.269 1073 L C -0.413 176.553 176.870 0.160 0.000 1.012 1073 L CA -1.255 53.655 54.840 0.117 0.000 0.815 1073 L CB 1.712 43.810 42.059 0.064 0.000 1.295 1073 L HN 0.256 nan 8.230 nan 0.000 0.438 1074 V N 2.448 122.480 119.914 0.197 0.000 2.623 1074 V HA 0.421 4.543 4.120 0.004 0.000 0.304 1074 V C -0.307 175.838 176.094 0.084 0.000 1.054 1074 V CA -0.293 62.064 62.300 0.095 0.000 0.882 1074 V CB 2.278 34.115 31.823 0.024 0.000 1.002 1074 V HN 0.488 nan 8.190 nan 0.000 0.424 1075 I N 6.317 126.921 120.570 0.058 0.000 2.304 1075 I HA 0.413 4.586 4.170 0.004 0.000 0.291 1075 I C -0.107 176.042 176.117 0.052 0.000 1.018 1075 I CA -0.015 61.324 61.300 0.065 0.000 1.260 1075 I CB 1.057 39.103 38.000 0.076 0.000 1.390 1075 I HN 0.389 nan 8.210 nan 0.000 0.475 1076 M N 4.600 124.230 119.600 0.049 0.000 2.777 1076 M HA 0.384 4.866 4.480 0.004 0.000 0.307 1076 M C -0.088 176.233 176.300 0.034 0.000 1.228 1076 M CA -0.756 54.566 55.300 0.037 0.000 0.871 1076 M CB 1.445 34.064 32.600 0.032 0.000 1.721 1076 M HN 0.465 nan 8.290 nan 0.000 0.487 1077 E N 1.317 121.531 120.200 0.023 0.000 2.360 1077 E HA 0.212 4.564 4.350 0.004 0.000 0.269 1077 E C -1.323 175.279 176.600 0.004 0.000 1.022 1077 E CA -0.485 55.922 56.400 0.010 0.000 0.887 1077 E CB 0.946 30.642 29.700 -0.008 0.000 0.990 1077 E HN 0.453 nan 8.360 nan 0.000 0.426 1078 L N 5.255 126.478 121.223 0.001 0.000 2.319 1078 L HA 0.199 4.542 4.340 0.004 0.000 0.280 1078 L C -0.704 176.153 176.870 -0.022 0.000 1.099 1078 L CA 0.144 54.983 54.840 -0.003 0.000 0.828 1078 L CB 0.975 43.035 42.059 0.001 0.000 1.150 1078 L HN 0.599 nan 8.230 nan 0.000 0.442 1079 M N 5.004 124.592 119.600 -0.021 0.000 2.131 1079 M HA 0.180 4.662 4.480 0.004 0.000 0.345 1079 M C 1.289 177.567 176.300 -0.035 0.000 1.060 1079 M CA -0.224 55.053 55.300 -0.038 0.000 1.011 1079 M CB 0.425 33.009 32.600 -0.026 0.000 1.328 1079 M HN 0.787 nan 8.290 nan 0.000 0.396 1080 T N -0.589 113.933 114.554 -0.054 0.000 2.897 1080 T HA -0.114 4.238 4.350 0.004 0.000 0.271 1080 T C 1.290 175.964 174.700 -0.044 0.000 1.084 1080 T CA 1.188 63.259 62.100 -0.049 0.000 1.123 1080 T CB -0.080 68.747 68.868 -0.069 0.000 0.865 1080 T HN 0.609 nan 8.240 nan 0.000 0.496 1081 R N 1.197 121.657 120.500 -0.067 0.000 2.426 1081 R HA 0.449 4.791 4.340 0.004 0.000 0.263 1081 R C 1.571 177.896 176.300 0.041 0.000 0.961 1081 R CA 0.117 56.199 56.100 -0.031 0.000 1.086 1081 R CB -0.047 30.173 30.300 -0.133 0.000 1.186 1081 R HN 0.565 nan 8.270 nan 0.000 0.537 1082 G N 2.225 111.048 108.800 0.038 0.000 2.601 1082 G HA2 -0.310 3.652 3.960 0.004 0.000 0.252 1082 G HA3 -0.310 3.652 3.960 0.004 0.000 0.252 1082 G C -0.616 174.337 174.900 0.088 0.000 1.294 1082 G CA -0.032 45.112 45.100 0.074 0.000 0.912 1082 G HN 0.485 nan 8.290 nan 0.000 0.574 1083 D N 0.048 120.526 120.400 0.129 0.000 2.313 1083 D HA 0.330 4.973 4.640 0.004 0.000 0.247 1083 D C 1.609 178.012 176.300 0.172 0.000 1.094 1083 D CA -0.383 53.694 54.000 0.129 0.000 0.925 1083 D CB 1.594 42.478 40.800 0.140 0.000 1.188 1083 D HN 0.579 nan 8.370 nan 0.000 0.430 1084 L N 0.994 122.302 121.223 0.142 0.000 2.191 1084 L HA -0.115 4.227 4.340 0.004 0.000 0.212 1084 L C 2.187 179.180 176.870 0.205 0.000 1.103 1084 L CA 1.678 56.639 54.840 0.202 0.000 0.769 1084 L CB -0.665 41.482 42.059 0.147 0.000 0.908 1084 L HN 0.528 nan 8.230 nan 0.000 0.438 1085 K N -1.301 119.155 120.400 0.094 0.000 2.021 1085 K HA -0.091 4.231 4.320 0.004 0.000 0.205 1085 K C 2.100 178.780 176.600 0.133 0.000 1.047 1085 K CA 1.317 57.615 56.287 0.019 0.000 0.943 1085 K CB -0.061 32.258 32.500 -0.303 0.000 0.725 1085 K HN 0.319 nan 8.250 nan 0.000 0.439 1086 S N 0.452 116.299 115.700 0.244 0.000 2.365 1086 S HA -0.219 4.253 4.470 0.004 0.000 0.225 1086 S C 1.680 176.397 174.600 0.196 0.000 1.039 1086 S CA 1.676 60.053 58.200 0.294 0.000 1.033 1086 S CB -0.616 62.760 63.200 0.293 0.000 0.887 1086 S HN 0.429 nan 8.310 nan 0.000 0.447 1087 Y N 2.298 122.669 120.300 0.119 0.000 2.053 1087 Y HA -0.205 4.347 4.550 0.003 0.000 0.277 1087 Y C 1.979 177.932 175.900 0.087 0.000 1.159 1087 Y CA 1.463 59.627 58.100 0.106 0.000 1.125 1087 Y CB -0.787 37.742 38.460 0.115 0.000 0.969 1087 Y HN 0.137 nan 8.280 nan 0.000 0.492 1088 L N 0.115 121.257 121.223 -0.136 0.000 1.990 1088 L HA -0.300 4.043 4.340 0.004 0.000 0.213 1088 L C 2.735 179.497 176.870 -0.180 0.000 1.072 1088 L CA 1.985 56.696 54.840 -0.215 0.000 0.755 1088 L CB -0.541 41.523 42.059 0.009 0.000 0.889 1088 L HN 0.186 nan 8.230 nan 0.000 0.432 1089 R N -0.418 120.050 120.500 -0.055 0.000 2.152 1089 R HA -0.134 4.208 4.340 0.004 0.000 0.232 1089 R C 2.322 178.590 176.300 -0.054 0.000 1.117 1089 R CA 1.454 57.542 56.100 -0.020 0.000 0.981 1089 R CB -0.390 29.951 30.300 0.068 0.000 0.870 1089 R HN 0.484 nan 8.270 nan 0.000 0.451 1090 S N -0.067 115.577 115.700 -0.093 0.000 2.603 1090 S HA -0.010 4.463 4.470 0.004 0.000 0.229 1090 S C 1.426 175.947 174.600 -0.132 0.000 0.972 1090 S CA 0.521 58.671 58.200 -0.085 0.000 0.935 1090 S CB 0.094 63.259 63.200 -0.059 0.000 0.769 1090 S HN 0.087 nan 8.310 nan 0.000 0.536 1091 L N 0.605 121.716 121.223 -0.187 0.000 2.585 1091 L HA 0.436 4.778 4.340 0.004 0.000 0.226 1091 L C 2.322 179.128 176.870 -0.107 0.000 1.113 1091 L CA 0.522 55.258 54.840 -0.173 0.000 0.876 1091 L CB -0.433 41.478 42.059 -0.247 0.000 1.072 1091 L HN 0.193 nan 8.230 nan 0.000 0.468 1092 R N -0.018 120.432 120.500 -0.085 0.000 2.062 1092 R HA 0.008 4.351 4.340 0.004 0.000 0.231 1092 R C -0.722 175.550 176.300 -0.046 0.000 1.136 1092 R CA 0.237 56.300 56.100 -0.062 0.000 0.948 1092 R CB -2.103 28.169 30.300 -0.047 0.000 0.845 1092 R HN 0.267 nan 8.270 nan 0.000 0.430 1101 L N 1.145 122.357 121.223 -0.018 0.000 2.461 1101 L HA 0.540 4.883 4.340 0.004 0.000 0.259 1101 L C 0.254 177.106 176.870 -0.030 0.000 1.248 1101 L CA 0.983 55.809 54.840 -0.023 0.000 0.823 1101 L CB 0.302 42.347 42.059 -0.023 0.000 1.111 1101 L HN 0.607 nan 8.230 nan 0.000 0.516 1102 A N 0.328 123.126 122.820 -0.037 0.000 2.608 1102 A HA 0.674 4.997 4.320 0.004 0.000 0.292 1102 A C -2.552 175.001 177.584 -0.051 0.000 1.066 1102 A CA -1.020 50.992 52.037 -0.042 0.000 0.676 1102 A CB 0.772 19.749 19.000 -0.038 0.000 1.277 1102 A HN 0.536 nan 8.150 nan 0.000 0.413 1103 P HA 0.340 nan 4.420 nan 0.000 0.269 1103 P C -2.547 174.718 177.300 -0.059 0.000 1.217 1103 P CA -0.424 62.636 63.100 -0.066 0.000 0.783 1103 P CB -0.818 30.839 31.700 -0.073 0.000 0.898 1104 P HA -0.012 nan 4.420 nan 0.000 0.266 1104 P C 0.247 177.521 177.300 -0.044 0.000 1.186 1104 P CA 0.261 63.335 63.100 -0.043 0.000 0.767 1104 P CB 0.138 31.825 31.700 -0.022 0.000 0.820 1105 S N 2.143 117.819 115.700 -0.039 0.000 2.617 1105 S HA 0.129 4.601 4.470 0.004 0.000 0.269 1105 S C 1.072 175.652 174.600 -0.033 0.000 1.292 1105 S CA -0.669 57.509 58.200 -0.036 0.000 1.010 1105 S CB 0.413 63.593 63.200 -0.032 0.000 0.944 1105 S HN 0.366 nan 8.310 nan 0.000 0.536 1106 L N 2.281 123.484 121.223 -0.033 0.000 2.081 1106 L HA -0.088 4.254 4.340 0.004 0.000 0.212 1106 L C 2.603 179.456 176.870 -0.028 0.000 1.080 1106 L CA 2.484 57.306 54.840 -0.031 0.000 0.754 1106 L CB -1.394 40.648 42.059 -0.029 0.000 0.893 1106 L HN 0.966 nan 8.230 nan 0.000 0.433 1107 S N -1.185 114.500 115.700 -0.026 0.000 2.368 1107 S HA -0.182 4.290 4.470 0.004 0.000 0.225 1107 S C 2.075 176.662 174.600 -0.022 0.000 1.030 1107 S CA 1.195 59.380 58.200 -0.023 0.000 0.999 1107 S CB -0.229 62.960 63.200 -0.018 0.000 0.844 1107 S HN 0.476 nan 8.310 nan 0.000 0.459 1108 K N 0.900 121.287 120.400 -0.021 0.000 2.025 1108 K HA 0.044 4.367 4.320 0.004 0.000 0.207 1108 K C 2.196 178.793 176.600 -0.004 0.000 1.049 1108 K CA 1.276 57.554 56.287 -0.015 0.000 0.933 1108 K CB -0.580 31.906 32.500 -0.024 0.000 0.714 1108 K HN 0.508 nan 8.250 nan 0.000 0.438 1109 M N 0.339 119.933 119.600 -0.011 0.000 2.213 1109 M HA -0.095 4.388 4.480 0.004 0.000 0.263 1109 M C 2.232 178.524 176.300 -0.014 0.000 1.062 1109 M CA 1.346 56.641 55.300 -0.009 0.000 1.105 1109 M CB -0.408 32.176 32.600 -0.026 0.000 1.385 1109 M HN 0.042 nan 8.290 nan 0.000 0.417 1110 I N -0.182 120.371 120.570 -0.027 0.000 2.439 1110 I HA -0.251 3.921 4.170 0.004 0.000 0.251 1110 I C 2.605 178.683 176.117 -0.065 0.000 1.139 1110 I CA 0.987 62.261 61.300 -0.043 0.000 1.438 1110 I CB -0.270 37.698 38.000 -0.054 0.000 1.085 1110 I HN 0.300 nan 8.210 nan 0.000 0.427 1111 Q N 1.038 120.808 119.800 -0.050 0.000 2.020 1111 Q HA -0.176 4.167 4.340 0.004 0.000 0.202 1111 Q C 2.216 178.209 176.000 -0.012 0.000 0.982 1111 Q CA 1.976 57.747 55.803 -0.053 0.000 0.838 1111 Q CB -0.206 28.534 28.738 0.004 0.000 0.899 1111 Q HN 0.402 nan 8.270 nan 0.000 0.423 1112 M N -0.758 118.862 119.600 0.034 0.000 2.117 1112 M HA -0.156 4.327 4.480 0.004 0.000 0.262 1112 M C 2.162 178.525 176.300 0.105 0.000 1.065 1112 M CA 1.520 56.867 55.300 0.079 0.000 1.114 1112 M CB -0.523 32.125 32.600 0.080 0.000 1.361 1112 M HN 0.270 nan 8.290 nan 0.000 0.408 1113 A N 0.982 123.852 122.820 0.085 0.000 1.859 1113 A HA -0.118 4.205 4.320 0.004 0.000 0.217 1113 A C 2.413 180.133 177.584 0.227 0.000 1.198 1113 A CA 2.205 54.356 52.037 0.191 0.000 0.629 1113 A CB -1.724 17.341 19.000 0.108 0.000 0.830 1113 A HN 0.550 nan 8.150 nan 0.000 0.446 1114 G N -1.040 107.755 108.800 -0.007 0.000 2.432 1114 G HA2 -0.179 3.784 3.960 0.004 0.000 0.219 1114 G HA3 -0.179 3.784 3.960 0.004 0.000 0.219 1114 G C 1.442 176.253 174.900 -0.148 0.000 1.135 1114 G CA 1.009 45.992 45.100 -0.195 0.000 0.767 1114 G HN 0.665 nan 8.290 nan 0.000 0.550 1115 E N -0.251 119.905 120.200 -0.074 0.000 2.152 1115 E HA 0.006 4.359 4.350 0.004 0.000 0.192 1115 E C 2.457 179.098 176.600 0.068 0.000 0.983 1115 E CA 0.378 56.760 56.400 -0.029 0.000 0.818 1115 E CB -0.051 29.756 29.700 0.177 0.000 0.758 1115 E HN 0.506 nan 8.360 nan 0.000 0.467 1116 I N 0.645 121.314 120.570 0.164 0.000 2.333 1116 I HA -0.146 4.026 4.170 0.004 0.000 0.246 1116 I C 2.485 178.666 176.117 0.106 0.000 1.106 1116 I CA 0.650 62.078 61.300 0.214 0.000 1.411 1116 I CB -0.255 37.976 38.000 0.385 0.000 1.082 1116 I HN 0.041 nan 8.210 nan 0.000 0.420 1117 A N 0.412 123.275 122.820 0.073 0.000 2.019 1117 A HA -0.281 4.042 4.320 0.004 0.000 0.219 1117 A C 1.916 179.486 177.584 -0.024 0.000 1.164 1117 A CA 2.258 54.225 52.037 -0.117 0.000 0.644 1117 A CB -0.634 18.271 19.000 -0.160 0.000 0.805 1117 A HN 0.447 nan 8.150 nan 0.000 0.449 1118 D N -0.906 119.537 120.400 0.072 0.000 2.137 1118 D HA 0.021 4.663 4.640 0.004 0.000 0.202 1118 D C 2.014 178.396 176.300 0.137 0.000 0.970 1118 D CA 1.429 55.542 54.000 0.189 0.000 0.837 1118 D CB -0.340 40.571 40.800 0.186 0.000 0.981 1118 D HN 0.274 nan 8.370 nan 0.000 0.475 1119 G N 0.180 109.020 108.800 0.066 0.000 2.404 1119 G HA2 -0.209 3.754 3.960 0.004 0.000 0.215 1119 G HA3 -0.209 3.754 3.960 0.004 0.000 0.215 1119 G C 1.514 176.339 174.900 -0.126 0.000 1.174 1119 G CA 0.667 45.777 45.100 0.017 0.000 0.780 1119 G HN 0.143 nan 8.290 nan 0.000 0.537 1120 M N 1.350 120.766 119.600 -0.306 0.000 2.117 1120 M HA 0.040 4.523 4.480 0.004 0.000 0.262 1120 M C 2.974 178.910 176.300 -0.607 0.000 1.065 1120 M CA 1.200 56.086 55.300 -0.690 0.000 1.114 1120 M CB -1.345 30.278 32.600 -1.628 0.000 1.361 1120 M HN 0.320 nan 8.290 nan 0.000 0.408 1121 A N -0.964 121.657 122.820 -0.331 0.000 1.902 1121 A HA -0.220 4.102 4.320 0.004 0.000 0.217 1121 A C 2.166 179.648 177.584 -0.171 0.000 1.181 1121 A CA 1.464 53.511 52.037 0.017 0.000 0.623 1121 A CB -1.166 18.048 19.000 0.356 0.000 0.818 1121 A HN 0.493 nan 8.150 nan 0.000 0.443 1122 Y N 0.750 120.769 120.300 -0.469 0.000 2.053 1122 Y HA -0.267 4.285 4.550 0.004 0.000 0.277 1122 Y C 2.030 177.600 175.900 -0.550 0.000 1.159 1122 Y CA 2.146 59.676 58.100 -0.949 0.000 1.125 1122 Y CB -0.557 37.515 38.460 -0.648 0.000 0.969 1122 Y HN 0.232 nan 8.280 nan 0.000 0.492 1123 L N 0.348 121.340 121.223 -0.384 0.000 1.990 1123 L HA -0.336 4.006 4.340 0.004 0.000 0.213 1123 L C 2.258 179.030 176.870 -0.163 0.000 1.072 1123 L CA 2.178 56.836 54.840 -0.303 0.000 0.755 1123 L CB -0.901 41.028 42.059 -0.216 0.000 0.889 1123 L HN 0.368 nan 8.230 nan 0.000 0.432 1124 N N -0.354 118.260 118.700 -0.142 0.000 2.205 1124 N HA -0.190 4.553 4.740 0.004 0.000 0.186 1124 N C 1.893 177.359 175.510 -0.073 0.000 1.015 1124 N CA 0.941 53.968 53.050 -0.040 0.000 0.862 1124 N CB -0.134 38.395 38.487 0.069 0.000 0.986 1124 N HN 0.369 nan 8.380 nan 0.000 0.429 1125 A N 1.680 124.399 122.820 -0.168 0.000 1.877 1125 A HA -0.118 4.204 4.320 0.004 0.000 0.216 1125 A C 1.708 179.192 177.584 -0.166 0.000 1.186 1125 A CA 1.197 53.149 52.037 -0.142 0.000 0.620 1125 A CB -0.546 18.314 19.000 -0.232 0.000 0.822 1125 A HN 0.335 nan 8.150 nan 0.000 0.443 1126 N N -0.024 118.520 118.700 -0.260 0.000 2.575 1126 N HA -0.003 4.740 4.740 0.004 0.000 0.192 1126 N C -0.762 174.684 175.510 -0.107 0.000 1.200 1126 N CA 0.439 53.421 53.050 -0.113 0.000 0.897 1126 N CB -0.057 38.431 38.487 0.002 0.000 0.990 1126 N HN 0.418 nan 8.380 nan 0.000 0.449 1127 K N -0.330 119.985 120.400 -0.141 0.000 3.203 1127 K HA -0.156 4.166 4.320 0.004 0.000 0.270 1127 K C -1.322 175.033 176.600 -0.409 0.000 1.132 1127 K CA 0.486 56.629 56.287 -0.241 0.000 0.794 1127 K CB -1.883 30.445 32.500 -0.287 0.000 1.270 1127 K HN 0.135 nan 8.250 nan 0.000 0.491 1128 F N 0.110 120.027 119.950 -0.055 0.000 2.539 1128 F HA 0.422 4.951 4.527 0.004 0.000 0.318 1128 F C 0.676 176.460 175.800 -0.026 0.000 1.135 1128 F CA -1.097 56.887 58.000 -0.027 0.000 0.915 1128 F CB 1.626 40.628 39.000 0.004 0.000 1.176 1128 F HN -0.076 nan 8.300 nan 0.000 0.440 1129 V N -0.059 119.970 119.914 0.193 0.000 3.211 1129 V HA 0.466 4.589 4.120 0.004 0.000 0.319 1129 V C 0.191 176.399 176.094 0.190 0.000 1.096 1129 V CA -0.265 62.144 62.300 0.181 0.000 1.029 1129 V CB 1.642 33.574 31.823 0.181 0.000 1.137 1129 V HN 0.883 nan 8.190 nan 0.000 0.453 1130 H N 0.402 119.568 119.070 0.161 0.000 2.460 1130 H HA 0.317 4.875 4.556 0.004 0.000 0.297 1130 H C 1.686 177.084 175.328 0.117 0.000 1.023 1130 H CA 1.383 57.512 56.048 0.135 0.000 1.321 1130 H CB 0.456 30.305 29.762 0.144 0.000 1.455 1130 H HN 0.853 nan 8.280 nan 0.000 0.539 1131 R N -0.708 120.024 120.500 0.386 0.000 3.943 1131 R HA -0.194 4.148 4.340 0.004 0.000 0.459 1131 R C -0.362 176.082 176.300 0.240 0.000 0.939 1131 R CA 1.572 57.773 56.100 0.168 0.000 1.515 1131 R CB -1.132 28.980 30.300 -0.313 0.000 2.164 1131 R HN 0.284 nan 8.270 nan 0.000 0.516 1132 D N -0.276 120.313 120.400 0.316 0.000 2.914 1132 D HA 0.123 4.765 4.640 0.004 0.000 0.349 1132 D C -1.113 174.976 176.300 -0.352 0.000 1.540 1132 D CA -0.399 53.663 54.000 0.104 0.000 0.778 1132 D CB 0.313 41.244 40.800 0.218 0.000 1.213 1132 D HN 0.011 nan 8.370 nan 0.000 0.451 1133 L N 1.762 122.723 121.223 -0.436 0.000 2.477 1133 L HA 0.575 4.917 4.340 0.004 0.000 0.272 1133 L C -0.405 176.377 176.870 -0.147 0.000 1.157 1133 L CA 0.341 54.909 54.840 -0.453 0.000 0.889 1133 L CB 0.269 42.309 42.059 -0.032 0.000 1.158 1133 L HN 0.200 nan 8.230 nan 0.000 0.473 1134 A N 3.942 126.644 122.820 -0.197 0.000 2.597 1134 A HA 0.677 5.000 4.320 0.004 0.000 0.292 1134 A C 0.537 178.074 177.584 -0.078 0.000 1.057 1134 A CA -0.165 51.738 52.037 -0.223 0.000 0.674 1134 A CB 0.379 18.848 19.000 -0.884 0.000 1.278 1134 A HN 1.028 nan 8.150 nan 0.000 0.416 1135 A N 1.078 123.926 122.820 0.047 0.000 1.917 1135 A HA -0.210 4.113 4.320 0.004 0.000 0.219 1135 A C 1.939 179.502 177.584 -0.035 0.000 1.182 1135 A CA 2.260 54.330 52.037 0.054 0.000 0.633 1135 A CB -0.705 18.360 19.000 0.108 0.000 0.819 1135 A HN 1.219 nan 8.150 nan 0.000 0.448 1136 R N -0.831 119.564 120.500 -0.174 0.000 2.249 1136 R HA -0.046 4.296 4.340 0.004 0.000 0.230 1136 R C 0.290 176.556 176.300 -0.057 0.000 1.121 1136 R CA 1.561 57.532 56.100 -0.214 0.000 0.997 1136 R CB -0.431 29.619 30.300 -0.417 0.000 0.867 1136 R HN 0.411 nan 8.270 nan 0.000 0.465 1137 N N -0.115 118.558 118.700 -0.044 0.000 2.204 1137 N HA 0.127 4.870 4.740 0.004 0.000 0.219 1137 N C -0.811 174.749 175.510 0.083 0.000 1.151 1137 N CA -0.159 52.915 53.050 0.039 0.000 0.867 1137 N CB 0.704 39.219 38.487 0.047 0.000 1.043 1137 N HN 0.119 nan 8.380 nan 0.000 0.516 1138 C N 1.080 120.421 119.300 0.068 0.000 2.397 1138 C HA 0.588 5.050 4.460 0.004 0.000 0.343 1138 C C 0.270 175.305 174.990 0.074 0.000 1.188 1138 C CA -0.672 58.399 59.018 0.088 0.000 1.992 1138 C CB 1.128 28.928 27.740 0.100 0.000 2.358 1138 C HN 0.194 nan 8.230 nan 0.000 0.518 1139 M N 1.654 121.290 119.600 0.061 0.000 2.724 1139 M HA 0.597 5.080 4.480 0.004 0.000 0.310 1139 M C -0.810 175.493 176.300 0.005 0.000 1.217 1139 M CA -0.790 54.530 55.300 0.035 0.000 0.894 1139 M CB 1.575 34.187 32.600 0.020 0.000 1.719 1139 M HN 0.313 nan 8.290 nan 0.000 0.479 1140 V N 1.207 121.101 119.914 -0.033 0.000 2.409 1140 V HA 0.656 4.778 4.120 0.004 0.000 0.290 1140 V C 0.230 176.253 176.094 -0.118 0.000 1.017 1140 V CA -1.095 61.147 62.300 -0.096 0.000 0.841 1140 V CB 1.076 32.772 31.823 -0.212 0.000 1.003 1140 V HN 1.006 nan 8.190 nan 0.000 0.426 1141 A N 2.952 125.702 122.820 -0.116 0.000 2.280 1141 A HA 0.476 4.798 4.320 0.004 0.000 0.268 1141 A C 1.367 178.814 177.584 -0.230 0.000 1.111 1141 A CA 0.185 52.140 52.037 -0.137 0.000 0.814 1141 A CB 0.249 19.180 19.000 -0.115 0.000 1.093 1141 A HN 0.907 nan 8.150 nan 0.000 0.498 1142 E N 0.187 120.262 120.200 -0.209 0.000 2.097 1142 E HA -0.227 4.125 4.350 0.004 0.000 0.196 1142 E C 0.891 177.245 176.600 -0.409 0.000 1.000 1142 E CA 2.217 58.448 56.400 -0.281 0.000 0.804 1142 E CB -0.223 29.382 29.700 -0.158 0.000 0.740 1142 E HN 0.740 nan 8.360 nan 0.000 0.454 1143 D N -1.584 118.681 120.400 -0.224 0.000 2.325 1143 D HA -0.046 4.596 4.640 0.004 0.000 0.234 1143 D C -0.117 176.217 176.300 0.056 0.000 1.122 1143 D CA -0.172 53.774 54.000 -0.089 0.000 0.850 1143 D CB -0.569 40.250 40.800 0.031 0.000 0.921 1143 D HN 0.244 nan 8.370 nan 0.000 0.513 1144 F N -1.286 118.639 119.950 -0.041 0.000 2.840 1144 F HA -0.257 4.273 4.527 0.005 0.000 0.310 1144 F C 0.513 176.280 175.800 -0.055 0.000 0.688 1144 F CA 0.691 58.639 58.000 -0.086 0.000 1.286 1144 F CB -2.608 36.355 39.000 -0.061 0.000 1.612 1144 F HN -0.081 nan 8.300 nan 0.000 0.335 1145 T N 1.323 115.938 114.554 0.102 0.000 2.918 1145 T HA 0.505 4.857 4.350 0.004 0.000 0.302 1145 T C 0.455 175.194 174.700 0.065 0.000 1.045 1145 T CA -0.199 61.968 62.100 0.112 0.000 1.114 1145 T CB 1.536 70.442 68.868 0.064 0.000 0.965 1145 T HN 0.015 nan 8.240 nan 0.000 0.540 1146 V N 3.912 123.902 119.914 0.126 0.000 2.581 1146 V HA 0.550 4.672 4.120 0.004 0.000 0.303 1146 V C -0.043 176.131 176.094 0.133 0.000 1.041 1146 V CA -0.749 61.611 62.300 0.101 0.000 0.907 1146 V CB 1.726 33.616 31.823 0.112 0.000 0.994 1146 V HN 0.775 nan 8.190 nan 0.000 0.442 1147 K N 3.661 124.106 120.400 0.074 0.000 2.477 1147 K HA 0.597 4.920 4.320 0.004 0.000 0.255 1147 K C -1.425 175.217 176.600 0.069 0.000 0.952 1147 K CA -1.001 55.324 56.287 0.064 0.000 0.826 1147 K CB 2.480 34.963 32.500 -0.028 0.000 1.331 1147 K HN 0.338 nan 8.250 nan 0.000 0.437 1148 I N 2.512 123.122 120.570 0.066 0.000 2.505 1148 I HA 0.052 4.224 4.170 0.004 0.000 0.287 1148 I C 1.116 177.272 176.117 0.065 0.000 1.104 1148 I CA 0.300 61.652 61.300 0.087 0.000 1.387 1148 I CB -0.385 37.648 38.000 0.055 0.000 1.404 1148 I HN 0.723 nan 8.210 nan 0.000 0.528 1149 G N 6.387 115.248 108.800 0.102 0.000 2.634 1149 G HA2 0.259 4.222 3.960 0.004 0.000 0.255 1149 G HA3 0.259 4.222 3.960 0.004 0.000 0.255 1149 G C -0.039 174.919 174.900 0.097 0.000 1.205 1149 G CA -0.545 44.606 45.100 0.085 0.000 0.884 1149 G HN 0.730 nan 8.290 nan 0.000 0.549 1150 D N -0.975 119.481 120.400 0.095 0.000 2.387 1150 D HA 0.283 4.926 4.640 0.004 0.000 0.251 1150 D C 0.568 176.989 176.300 0.201 0.000 1.141 1150 D CA -0.626 53.465 54.000 0.153 0.000 0.987 1150 D CB 0.829 41.724 40.800 0.158 0.000 1.116 1150 D HN 0.377 nan 8.370 nan 0.000 0.491 1151 F N -1.841 118.106 119.950 -0.006 0.000 2.539 1151 F HA 0.372 4.901 4.527 0.004 0.000 0.340 1151 F C 1.393 177.256 175.800 0.104 0.000 1.185 1151 F CA -0.124 57.901 58.000 0.041 0.000 1.333 1151 F CB 0.030 39.041 39.000 0.019 0.000 1.152 1151 F HN 0.554 nan 8.300 nan 0.000 0.602 1152 G N 4.122 112.862 108.800 -0.100 0.000 2.338 1152 G HA2 -0.235 3.728 3.960 0.004 0.000 0.296 1152 G HA3 -0.235 3.728 3.960 0.004 0.000 0.296 1152 G C 0.089 174.910 174.900 -0.130 0.000 1.040 1152 G CA 0.406 45.410 45.100 -0.161 0.000 1.004 1152 G HN 0.659 nan 8.290 nan 0.000 0.509 1153 M N -0.580 118.991 119.600 -0.047 0.000 2.231 1153 M HA 0.098 4.580 4.480 0.004 0.000 0.347 1153 M C 0.916 177.237 176.300 0.034 0.000 0.901 1153 M CA 0.329 55.619 55.300 -0.015 0.000 1.064 1153 M CB -0.102 32.496 32.600 -0.002 0.000 1.861 1153 M HN 0.155 nan 8.290 nan 0.000 0.638 1154 T N 3.232 117.817 114.554 0.053 0.000 2.871 1154 T HA 0.113 4.465 4.350 0.004 0.000 0.296 1154 T C 0.734 175.500 174.700 0.110 0.000 0.998 1154 T CA 0.272 62.437 62.100 0.107 0.000 1.162 1154 T CB 0.312 69.244 68.868 0.107 0.000 0.947 1154 T HN 0.232 nan 8.240 nan 0.000 0.536 1155 R N 2.667 123.280 120.500 0.189 0.000 2.570 1155 R HA 0.010 4.353 4.340 0.004 0.000 0.277 1155 R C 1.161 177.494 176.300 0.054 0.000 1.039 1155 R CA -0.180 55.983 56.100 0.104 0.000 1.065 1155 R CB 0.318 30.672 30.300 0.090 0.000 0.964 1155 R HN 0.759 nan 8.270 nan 0.000 0.428 1156 D N 2.864 123.250 120.400 -0.023 0.000 2.309 1156 D HA -0.200 4.442 4.640 0.004 0.000 0.212 1156 D C 1.534 177.798 176.300 -0.060 0.000 0.968 1156 D CA 0.986 54.966 54.000 -0.034 0.000 0.882 1156 D CB -0.359 40.410 40.800 -0.051 0.000 0.918 1156 D HN 0.731 nan 8.370 nan 0.000 0.503 1157 I N -3.318 117.143 120.570 -0.182 0.000 3.176 1157 I HA -0.035 4.137 4.170 0.004 0.000 0.275 1157 I C 0.580 176.525 176.117 -0.287 0.000 1.298 1157 I CA 0.505 61.632 61.300 -0.288 0.000 1.445 1157 I CB -0.355 37.369 38.000 -0.461 0.000 1.075 1157 I HN -0.180 nan 8.210 nan 0.000 0.482 1158 Y N 2.208 122.563 120.300 0.092 0.000 2.555 1158 Y HA 0.179 4.731 4.550 0.004 0.000 0.259 1158 Y C 2.092 178.117 175.900 0.208 0.000 1.179 1158 Y CA -0.557 57.621 58.100 0.130 0.000 1.230 1158 Y CB -0.562 37.967 38.460 0.116 0.000 1.146 1158 Y HN 0.368 nan 8.280 nan 0.000 0.526 1159 E N -0.924 119.439 120.200 0.273 0.000 2.187 1159 E HA -0.313 4.039 4.350 0.004 0.000 0.199 1159 E C 1.950 178.748 176.600 0.331 0.000 1.004 1159 E CA 1.830 58.391 56.400 0.268 0.000 0.813 1159 E CB -0.615 29.160 29.700 0.125 0.000 0.736 1159 E HN 0.284 nan 8.360 nan 0.000 0.468 1160 T N 0.519 115.229 114.554 0.261 0.000 2.849 1160 T HA -0.152 4.200 4.350 0.004 0.000 0.270 1160 T C 1.012 175.864 174.700 0.253 0.000 1.066 1160 T CA 1.700 63.940 62.100 0.233 0.000 1.130 1160 T CB -0.449 68.539 68.868 0.200 0.000 0.864 1160 T HN 0.152 nan 8.240 nan 0.000 0.481 1161 D N -0.298 120.255 120.400 0.256 0.000 2.363 1161 D HA 0.130 4.772 4.640 0.004 0.000 0.226 1161 D C -0.340 175.859 176.300 -0.169 0.000 1.020 1161 D CA 0.484 54.528 54.000 0.074 0.000 0.892 1161 D CB 0.008 40.687 40.800 -0.201 0.000 0.900 1161 D HN 0.520 nan 8.370 nan 0.000 0.531 1162 Y N -0.952 119.467 120.300 0.198 0.000 2.549 1162 Y HA 0.464 5.016 4.550 0.004 0.000 0.339 1162 Y C -0.661 175.406 175.900 0.279 0.000 1.053 1162 Y CA -1.345 56.878 58.100 0.206 0.000 1.105 1162 Y CB 1.428 39.965 38.460 0.129 0.000 1.258 1162 Y HN -0.231 nan 8.280 nan 0.000 0.478 1163 Y N 0.677 121.129 120.300 0.252 0.000 2.399 1163 Y HA 0.465 5.017 4.550 0.004 0.000 0.327 1163 Y C -1.015 174.970 175.900 0.141 0.000 1.111 1163 Y CA -1.611 56.588 58.100 0.164 0.000 1.047 1163 Y CB 1.325 39.861 38.460 0.127 0.000 1.259 1163 Y HN 0.606 nan 8.280 nan 0.000 0.434 1164 R N 6.105 126.399 120.500 -0.343 0.000 2.609 1164 R HA 0.147 4.489 4.340 0.004 0.000 0.271 1164 R C 0.043 175.941 176.300 -0.671 0.000 1.403 1164 R CA -0.296 55.590 56.100 -0.356 0.000 1.138 1164 R CB 0.104 30.280 30.300 -0.206 0.000 1.142 1164 R HN 0.662 nan 8.270 nan 0.000 0.559 1165 K N -0.042 120.069 120.400 -0.482 0.000 2.155 1165 K HA 0.309 4.631 4.320 0.004 0.000 0.237 1165 K C 0.772 177.294 176.600 -0.130 0.000 1.040 1165 K CA -0.052 56.048 56.287 -0.311 0.000 0.912 1165 K CB 0.536 33.052 32.500 0.027 0.000 1.137 1165 K HN 0.331 nan 8.250 nan 0.000 0.498 1166 G N -0.446 108.327 108.800 -0.045 0.000 2.337 1166 G HA2 -0.268 3.694 3.960 0.004 0.000 0.290 1166 G HA3 -0.268 3.694 3.960 0.004 0.000 0.290 1166 G C 0.969 175.844 174.900 -0.042 0.000 1.003 1166 G CA 0.996 46.084 45.100 -0.020 0.000 0.825 1166 G HN 1.602 nan 8.290 nan 0.000 0.509 1167 G N -1.037 107.715 108.800 -0.080 0.000 2.230 1167 G HA2 -0.433 3.529 3.960 0.004 0.000 0.270 1167 G HA3 -0.433 3.529 3.960 0.004 0.000 0.270 1167 G C 0.954 175.814 174.900 -0.066 0.000 0.987 1167 G CA 2.116 47.170 45.100 -0.076 0.000 0.664 1167 G HN 1.025 nan 8.290 nan 0.000 0.539 1168 K N -0.108 120.257 120.400 -0.058 0.000 4.259 1168 K HA 0.518 4.840 4.320 0.004 0.000 0.182 1168 K C 1.606 178.181 176.600 -0.042 0.000 1.151 1168 K CA 0.200 56.464 56.287 -0.038 0.000 1.809 1168 K CB -0.224 32.266 32.500 -0.017 0.000 2.506 1168 K HN 0.311 nan 8.250 nan 0.000 0.516 1169 G N 1.597 110.386 108.800 -0.019 0.000 2.491 1169 G HA2 0.341 4.303 3.960 0.004 0.000 0.242 1169 G HA3 0.341 4.303 3.960 0.004 0.000 0.242 1169 G C -0.614 174.286 174.900 -0.000 0.000 1.266 1169 G CA -0.328 44.769 45.100 -0.005 0.000 0.844 1169 G HN 0.295 nan 8.290 nan 0.000 0.571 1170 L N 0.625 121.860 121.223 0.020 0.000 2.313 1170 L HA 0.623 4.965 4.340 0.004 0.000 0.282 1170 L C -0.003 176.985 176.870 0.196 0.000 1.092 1170 L CA -0.377 54.511 54.840 0.080 0.000 0.831 1170 L CB 0.384 42.492 42.059 0.082 0.000 1.159 1170 L HN 0.244 nan 8.230 nan 0.000 0.442 1171 L N 4.563 125.941 121.223 0.258 0.000 2.354 1171 L HA 0.577 4.919 4.340 0.004 0.000 0.269 1171 L C -1.943 175.134 176.870 0.346 0.000 1.005 1171 L CA -1.609 53.425 54.840 0.324 0.000 0.819 1171 L CB 2.736 44.958 42.059 0.272 0.000 1.311 1171 L HN 0.457 nan 8.230 nan 0.000 0.423 1172 P HA -0.006 nan 4.420 nan 0.000 0.225 1172 P C 1.137 178.623 177.300 0.310 0.000 1.768 1172 P CA -0.139 63.005 63.100 0.074 0.000 0.943 1172 P CB -0.024 31.617 31.700 -0.098 0.000 1.936 1173 V N 0.824 120.905 119.914 0.279 0.000 2.277 1173 V HA -0.321 3.801 4.120 0.004 0.000 0.253 1173 V C 2.042 178.242 176.094 0.177 0.000 1.067 1173 V CA 1.590 64.015 62.300 0.209 0.000 1.047 1173 V CB -1.738 30.187 31.823 0.170 0.000 0.649 1173 V HN 0.212 nan 8.190 nan 0.000 0.447 1174 R N -1.095 119.546 120.500 0.235 0.000 2.369 1174 R HA 0.007 4.349 4.340 0.004 0.000 0.200 1174 R C 1.544 177.769 176.300 -0.125 0.000 1.046 1174 R CA 1.283 57.408 56.100 0.042 0.000 1.057 1174 R CB -0.253 29.950 30.300 -0.161 0.000 0.888 1174 R HN 0.717 nan 8.270 nan 0.000 0.474 1175 W N -0.853 120.543 121.300 0.159 0.000 2.592 1175 W HA 0.261 4.923 4.660 0.003 0.000 0.306 1175 W C -0.025 176.667 176.519 0.288 0.000 0.991 1175 W CA -0.467 57.020 57.345 0.236 0.000 1.430 1175 W CB 0.384 29.938 29.460 0.157 0.000 1.017 1175 W HN -0.019 nan 8.180 nan 0.000 0.557 1176 M N 1.545 121.330 119.600 0.309 0.000 2.233 1176 M HA 0.095 4.577 4.480 0.004 0.000 0.350 1176 M C 1.145 177.194 176.300 -0.418 0.000 1.176 1176 M CA 0.372 55.694 55.300 0.036 0.000 1.150 1176 M CB 1.059 33.676 32.600 0.027 0.000 1.530 1176 M HN -0.251 nan 8.290 nan 0.000 0.459 1177 S N 2.352 117.596 115.700 -0.761 0.000 2.600 1177 S HA 0.242 4.715 4.470 0.004 0.000 0.265 1177 S C -2.149 171.849 174.600 -1.004 0.000 1.325 1177 S CA -1.130 56.192 58.200 -1.463 0.000 1.002 1177 S CB 0.378 63.021 63.200 -0.929 0.000 0.921 1177 S HN 0.441 nan 8.310 nan 0.000 0.554 1178 P HA -0.193 nan 4.420 nan 0.000 0.215 1178 P C 1.811 178.815 177.300 -0.495 0.000 1.157 1178 P CA 1.589 64.273 63.100 -0.693 0.000 0.868 1178 P CB -0.094 31.091 31.700 -0.858 0.000 0.788 1179 E N -0.254 119.635 120.200 -0.519 0.000 2.058 1179 E HA -0.160 4.193 4.350 0.004 0.000 0.194 1179 E C 1.814 178.228 176.600 -0.310 0.000 0.997 1179 E CA 1.782 57.980 56.400 -0.338 0.000 0.801 1179 E CB -1.362 28.169 29.700 -0.281 0.000 0.746 1179 E HN 0.140 nan 8.360 nan 0.000 0.450 1180 S N 1.689 117.135 115.700 -0.424 0.000 2.353 1180 S HA -0.096 4.377 4.470 0.004 0.000 0.222 1180 S C 2.216 176.634 174.600 -0.303 0.000 1.035 1180 S CA 1.303 59.201 58.200 -0.503 0.000 1.025 1180 S CB -0.464 62.224 63.200 -0.853 0.000 0.902 1180 S HN 0.205 nan 8.310 nan 0.000 0.440 1181 L N 0.943 121.998 121.223 -0.281 0.000 2.043 1181 L HA -0.179 4.164 4.340 0.004 0.000 0.212 1181 L C 2.541 179.346 176.870 -0.110 0.000 1.075 1181 L CA 1.469 56.214 54.840 -0.159 0.000 0.752 1181 L CB -0.285 41.665 42.059 -0.182 0.000 0.891 1181 L HN 0.266 nan 8.230 nan 0.000 0.432 1182 K N -1.171 119.147 120.400 -0.137 0.000 2.284 1182 K HA -0.042 4.281 4.320 0.004 0.000 0.198 1182 K C 0.594 177.157 176.600 -0.063 0.000 1.048 1182 K CA 0.797 57.034 56.287 -0.083 0.000 0.987 1182 K CB 0.470 32.925 32.500 -0.076 0.000 0.800 1182 K HN 0.246 nan 8.250 nan 0.000 0.486 1183 D N -0.932 119.418 120.400 -0.084 0.000 2.527 1183 D HA 0.110 4.753 4.640 0.004 0.000 0.224 1183 D C 0.391 176.672 176.300 -0.030 0.000 1.217 1183 D CA 0.427 54.398 54.000 -0.049 0.000 0.819 1183 D CB 1.191 41.961 40.800 -0.051 0.000 1.061 1183 D HN 0.329 nan 8.370 nan 0.000 0.515 1184 G N 1.999 110.775 108.800 -0.040 0.000 2.233 1184 G HA2 -0.271 3.692 3.960 0.004 0.000 0.270 1184 G HA3 -0.271 3.692 3.960 0.004 0.000 0.270 1184 G C 0.554 175.502 174.900 0.080 0.000 1.011 1184 G CA 0.904 46.028 45.100 0.039 0.000 0.762 1184 G HN 0.431 nan 8.290 nan 0.000 0.511 1185 V N -3.024 116.857 119.914 -0.056 0.000 2.483 1185 V HA 0.893 5.016 4.120 0.004 0.000 0.295 1185 V C -0.222 175.789 176.094 -0.139 0.000 1.035 1185 V CA -1.823 60.486 62.300 0.015 0.000 0.896 1185 V CB 1.559 33.382 31.823 0.000 0.000 0.986 1185 V HN 0.228 nan 8.190 nan 0.000 0.447 1186 F N 3.193 123.161 119.950 0.029 0.000 2.449 1186 F HA 0.782 5.312 4.527 0.004 0.000 0.342 1186 F C 0.678 176.494 175.800 0.028 0.000 1.127 1186 F CA -0.043 57.985 58.000 0.047 0.000 0.975 1186 F CB 2.154 41.199 39.000 0.075 0.000 1.146 1186 F HN 0.956 nan 8.300 nan 0.000 0.444 1187 T N -2.749 111.881 114.554 0.127 0.000 2.831 1187 T HA 0.304 4.657 4.350 0.004 0.000 0.287 1187 T C 1.095 175.794 174.700 -0.001 0.000 1.070 1187 T CA 0.003 62.097 62.100 -0.010 0.000 1.010 1187 T CB 1.278 70.043 68.868 -0.173 0.000 1.264 1187 T HN 0.538 nan 8.240 nan 0.000 0.532 1188 T N -1.190 113.268 114.554 -0.159 0.000 2.803 1188 T HA -0.149 4.203 4.350 0.004 0.000 0.269 1188 T C 1.549 176.318 174.700 0.116 0.000 1.052 1188 T CA 1.396 63.507 62.100 0.017 0.000 1.136 1188 T CB -1.245 67.603 68.868 -0.033 0.000 0.864 1188 T HN 0.693 nan 8.240 nan 0.000 0.467 1189 Y N 2.769 123.146 120.300 0.129 0.000 2.128 1189 Y HA -0.164 4.388 4.550 0.004 0.000 0.284 1189 Y C 3.311 179.299 175.900 0.147 0.000 1.154 1189 Y CA 0.882 59.034 58.100 0.088 0.000 1.149 1189 Y CB -0.600 37.886 38.460 0.044 0.000 0.976 1189 Y HN 0.393 nan 8.280 nan 0.000 0.505 1190 S N -0.351 115.510 115.700 0.267 0.000 2.419 1190 S HA -0.187 4.286 4.470 0.004 0.000 0.233 1190 S C 1.322 176.147 174.600 0.375 0.000 1.016 1190 S CA 1.419 59.750 58.200 0.217 0.000 0.974 1190 S CB -0.355 62.862 63.200 0.029 0.000 0.786 1190 S HN 0.387 nan 8.310 nan 0.000 0.492 1191 D N 1.623 122.270 120.400 0.411 0.000 2.097 1191 D HA 0.002 4.645 4.640 0.004 0.000 0.197 1191 D C 2.139 178.804 176.300 0.608 0.000 0.984 1191 D CA 0.919 55.250 54.000 0.552 0.000 0.826 1191 D CB -0.532 40.650 40.800 0.638 0.000 0.973 1191 D HN 0.310 nan 8.370 nan 0.000 0.460 1192 V N 1.232 121.340 119.914 0.323 0.000 2.392 1192 V HA -0.203 3.920 4.120 0.004 0.000 0.249 1192 V C 2.155 178.453 176.094 0.341 0.000 1.059 1192 V CA 1.280 63.608 62.300 0.047 0.000 1.051 1192 V CB -0.408 31.283 31.823 -0.221 0.000 0.658 1192 V HN 0.395 nan 8.190 nan 0.000 0.455 1193 W N 1.090 122.531 121.300 0.236 0.000 2.354 1193 W HA -0.197 4.466 4.660 0.005 0.000 0.315 1193 W C 2.481 179.250 176.519 0.417 0.000 1.206 1193 W CA 2.086 59.627 57.345 0.326 0.000 1.290 1193 W CB -0.640 28.965 29.460 0.241 0.000 1.152 1193 W HN 0.331 nan 8.180 nan 0.000 0.489 1194 S N 0.863 117.011 115.700 0.747 0.000 2.399 1194 S HA -0.229 4.244 4.470 0.004 0.000 0.231 1194 S C 1.529 176.450 174.600 0.535 0.000 1.022 1194 S CA 1.542 60.138 58.200 0.660 0.000 0.983 1194 S CB -1.017 62.539 63.200 0.593 0.000 0.803 1194 S HN 0.344 nan 8.310 nan 0.000 0.480 1195 F N 2.711 122.881 119.950 0.368 0.000 2.171 1195 F HA -0.004 4.525 4.527 0.003 0.000 0.300 1195 F C 2.217 178.117 175.800 0.167 0.000 1.090 1195 F CA 1.218 59.397 58.000 0.297 0.000 1.293 1195 F CB -0.941 38.269 39.000 0.349 0.000 1.013 1195 F HN 0.210 nan 8.300 nan 0.000 0.486 1196 G N -0.365 108.436 108.800 0.002 0.000 2.443 1196 G HA2 -0.159 3.803 3.960 0.004 0.000 0.219 1196 G HA3 -0.159 3.803 3.960 0.004 0.000 0.219 1196 G C 1.601 176.512 174.900 0.018 0.000 1.131 1196 G CA 1.052 45.943 45.100 -0.349 0.000 0.775 1196 G HN 0.354 nan 8.290 nan 0.000 0.547 1197 V N 0.268 120.356 119.914 0.290 0.000 2.951 1197 V HA -0.049 4.074 4.120 0.004 0.000 0.255 1197 V C 2.818 179.081 176.094 0.282 0.000 1.088 1197 V CA 0.752 63.221 62.300 0.283 0.000 1.109 1197 V CB 0.431 32.257 31.823 0.004 0.000 0.724 1197 V HN 0.234 nan 8.190 nan 0.000 0.471 1198 V N -0.037 120.006 119.914 0.214 0.000 2.453 1198 V HA -0.171 3.951 4.120 0.004 0.000 0.247 1198 V C 2.259 178.379 176.094 0.044 0.000 1.048 1198 V CA 1.579 63.990 62.300 0.184 0.000 1.049 1198 V CB -0.364 31.536 31.823 0.128 0.000 0.672 1198 V HN 0.439 nan 8.190 nan 0.000 0.457 1199 L N -1.617 119.520 121.223 -0.144 0.000 2.046 1199 L HA -0.202 4.141 4.340 0.004 0.000 0.208 1199 L C 2.315 179.193 176.870 0.012 0.000 1.077 1199 L CA 2.090 56.826 54.840 -0.173 0.000 0.747 1199 L CB -0.589 41.264 42.059 -0.344 0.000 0.896 1199 L HN 0.484 nan 8.230 nan 0.000 0.432 1200 W N 1.617 122.886 121.300 -0.052 0.000 2.317 1200 W HA -0.244 4.419 4.660 0.005 0.000 0.318 1200 W C 2.491 179.010 176.519 0.000 0.000 1.227 1200 W CA 2.077 59.439 57.345 0.029 0.000 1.269 1200 W CB -0.156 29.374 29.460 0.116 0.000 1.155 1200 W HN 0.092 nan 8.180 nan 0.000 0.484 1201 E N 0.012 120.394 120.200 0.304 0.000 2.048 1201 E HA -0.318 4.034 4.350 0.004 0.000 0.202 1201 E C 2.115 178.699 176.600 -0.028 0.000 1.021 1201 E CA 2.342 58.832 56.400 0.150 0.000 0.825 1201 E CB -0.782 29.078 29.700 0.266 0.000 0.756 1201 E HN 0.331 nan 8.360 nan 0.000 0.454 1202 I N 0.943 121.519 120.570 0.009 0.000 2.181 1202 I HA -0.348 3.824 4.170 0.004 0.000 0.247 1202 I C 2.324 178.386 176.117 -0.093 0.000 1.081 1202 I CA 1.358 62.647 61.300 -0.018 0.000 1.340 1202 I CB -0.272 37.723 38.000 -0.008 0.000 1.036 1202 I HN 0.136 nan 8.210 nan 0.000 0.417 1203 A N -0.472 122.251 122.820 -0.161 0.000 2.206 1203 A HA -0.058 4.264 4.320 0.004 0.000 0.211 1203 A C 1.831 179.221 177.584 -0.322 0.000 1.158 1203 A CA 1.475 53.381 52.037 -0.219 0.000 0.761 1203 A CB -0.602 18.267 19.000 -0.219 0.000 0.801 1203 A HN 0.530 nan 8.150 nan 0.000 0.473 1204 T N -3.862 110.452 114.554 -0.402 0.000 3.200 1204 T HA 0.432 4.784 4.350 0.004 0.000 0.284 1204 T C 0.322 174.870 174.700 -0.253 0.000 1.009 1204 T CA -0.095 61.740 62.100 -0.442 0.000 0.907 1204 T CB -0.725 67.642 68.868 -0.835 0.000 1.120 1204 T HN 0.462 nan 8.240 nan 0.000 0.534 1205 L N 0.997 122.119 121.223 -0.168 0.000 3.795 1205 L HA -0.219 4.123 4.340 0.004 0.000 0.489 1205 L C 0.845 177.685 176.870 -0.050 0.000 1.259 1205 L CA 0.211 54.992 54.840 -0.099 0.000 0.765 1205 L CB -2.311 39.685 42.059 -0.105 0.000 1.519 1205 L HN 0.857 nan 8.230 nan 0.000 0.842 1206 A N -0.549 122.264 122.820 -0.011 0.000 2.475 1206 A HA -0.154 4.169 4.320 0.004 0.000 0.295 1206 A C 0.649 178.292 177.584 0.100 0.000 1.457 1206 A CA 1.272 53.354 52.037 0.074 0.000 0.734 1206 A CB -0.767 18.278 19.000 0.076 0.000 1.118 1206 A HN 0.542 nan 8.150 nan 0.000 0.400 1207 E N 0.913 121.168 120.200 0.093 0.000 2.283 1207 E HA 0.331 4.683 4.350 0.004 0.000 0.271 1207 E C 0.244 177.029 176.600 0.308 0.000 1.031 1207 E CA -0.589 55.896 56.400 0.142 0.000 0.868 1207 E CB 0.601 30.317 29.700 0.028 0.000 1.094 1207 E HN 0.631 nan 8.360 nan 0.000 0.401 1208 Q N 1.961 121.896 119.800 0.226 0.000 2.286 1208 Q HA 0.253 4.596 4.340 0.004 0.000 0.267 1208 Q C -2.189 173.828 176.000 0.029 0.000 1.028 1208 Q CA -1.850 54.050 55.803 0.161 0.000 0.901 1208 Q CB -0.144 28.673 28.738 0.132 0.000 1.183 1208 Q HN 0.061 nan 8.270 nan 0.000 0.392 1209 P HA -0.032 nan 4.420 nan 0.000 0.269 1209 P C -0.989 175.969 177.300 -0.571 0.000 1.209 1209 P CA -0.097 62.453 63.100 -0.917 0.000 0.776 1209 P CB 0.202 31.105 31.700 -1.328 0.000 0.876 1210 Y N -0.759 119.301 120.300 -0.400 0.000 3.234 1210 Y HA -0.275 4.278 4.550 0.005 0.000 0.207 1210 Y C 1.674 177.473 175.900 -0.168 0.000 1.316 1210 Y CA 0.491 58.435 58.100 -0.260 0.000 1.309 1210 Y CB -3.203 35.116 38.460 -0.236 0.000 1.408 1210 Y HN 0.474 nan 8.280 nan 0.000 0.544 1211 Q N 0.217 119.992 119.800 -0.041 0.000 1.998 1211 Q HA -0.210 4.133 4.340 0.004 0.000 0.209 1211 Q C 2.387 178.379 176.000 -0.013 0.000 1.002 1211 Q CA 1.764 57.567 55.803 0.000 0.000 0.858 1211 Q CB -0.469 28.285 28.738 0.028 0.000 0.932 1211 Q HN 0.767 nan 8.270 nan 0.000 0.416 1212 G N 0.081 108.860 108.800 -0.036 0.000 3.094 1212 G HA2 0.183 4.145 3.960 0.004 0.000 0.208 1212 G HA3 0.183 4.145 3.960 0.004 0.000 0.208 1212 G C -0.015 174.839 174.900 -0.077 0.000 1.189 1212 G CA 0.018 45.088 45.100 -0.051 0.000 0.856 1212 G HN 0.010 nan 8.290 nan 0.000 0.510 1213 L N 1.215 122.395 121.223 -0.071 0.000 2.362 1213 L HA 0.393 4.735 4.340 0.004 0.000 0.275 1213 L C 0.274 177.098 176.870 -0.078 0.000 0.998 1213 L CA -0.876 53.905 54.840 -0.097 0.000 0.820 1213 L CB 2.306 44.282 42.059 -0.139 0.000 1.270 1213 L HN 0.113 nan 8.230 nan 0.000 0.415 1214 S N 0.962 116.605 115.700 -0.095 0.000 2.617 1214 S HA 0.246 4.719 4.470 0.004 0.000 0.269 1214 S C 0.904 175.389 174.600 -0.191 0.000 1.292 1214 S CA -0.818 57.313 58.200 -0.114 0.000 1.010 1214 S CB 1.082 64.226 63.200 -0.093 0.000 0.944 1214 S HN 0.631 nan 8.310 nan 0.000 0.536 1215 N N 1.820 120.334 118.700 -0.309 0.000 2.103 1215 N HA -0.220 4.523 4.740 0.004 0.000 0.200 1215 N C 1.548 176.796 175.510 -0.437 0.000 1.016 1215 N CA 2.039 54.746 53.050 -0.571 0.000 0.890 1215 N CB -0.635 36.995 38.487 -1.429 0.000 1.075 1215 N HN 0.699 nan 8.380 nan 0.000 0.506 1216 E N 1.291 121.285 120.200 -0.344 0.000 2.085 1216 E HA -0.172 4.180 4.350 0.004 0.000 0.194 1216 E C 2.055 178.599 176.600 -0.092 0.000 0.994 1216 E CA 0.951 57.276 56.400 -0.125 0.000 0.801 1216 E CB -0.305 29.377 29.700 -0.031 0.000 0.743 1216 E HN 0.566 nan 8.360 nan 0.000 0.453 1217 Q N 0.231 119.967 119.800 -0.105 0.000 2.135 1217 Q HA -0.120 4.223 4.340 0.004 0.000 0.204 1217 Q C 2.390 178.345 176.000 -0.074 0.000 0.981 1217 Q CA 1.401 57.156 55.803 -0.081 0.000 0.856 1217 Q CB -0.156 28.519 28.738 -0.105 0.000 0.902 1217 Q HN 0.140 nan 8.270 nan 0.000 0.425 1218 V N 1.148 120.975 119.914 -0.145 0.000 2.295 1218 V HA -0.271 3.852 4.120 0.004 0.000 0.246 1218 V C 2.240 178.230 176.094 -0.173 0.000 1.049 1218 V CA 1.561 63.722 62.300 -0.231 0.000 1.024 1218 V CB -0.647 30.960 31.823 -0.361 0.000 0.648 1218 V HN 0.259 nan 8.190 nan 0.000 0.447 1219 L N 0.143 121.291 121.223 -0.125 0.000 1.971 1219 L HA -0.256 4.086 4.340 0.004 0.000 0.215 1219 L C 2.753 179.587 176.870 -0.060 0.000 1.072 1219 L CA 2.586 57.376 54.840 -0.084 0.000 0.758 1219 L CB -0.745 41.301 42.059 -0.023 0.000 0.889 1219 L HN 0.352 nan 8.230 nan 0.000 0.433 1220 R N -0.387 120.100 120.500 -0.022 0.000 2.073 1220 R HA -0.243 4.100 4.340 0.004 0.000 0.234 1220 R C 2.274 178.596 176.300 0.035 0.000 1.134 1220 R CA 1.789 57.893 56.100 0.006 0.000 0.952 1220 R CB -0.954 29.358 30.300 0.019 0.000 0.850 1220 R HN 0.214 nan 8.270 nan 0.000 0.433 1221 F N 0.844 120.714 119.950 -0.132 0.000 2.046 1221 F HA -0.159 4.370 4.527 0.004 0.000 0.297 1221 F C 1.948 177.672 175.800 -0.126 0.000 1.123 1221 F CA 1.851 59.770 58.000 -0.135 0.000 1.199 1221 F CB -0.728 38.159 39.000 -0.190 0.000 0.972 1221 F HN -0.074 nan 8.300 nan 0.000 0.474 1222 V N 0.946 120.666 119.914 -0.322 0.000 2.255 1222 V HA -0.375 3.748 4.120 0.004 0.000 0.247 1222 V C 2.521 178.509 176.094 -0.176 0.000 1.051 1222 V CA 2.430 64.512 62.300 -0.364 0.000 1.018 1222 V CB -0.788 30.840 31.823 -0.326 0.000 0.641 1222 V HN 0.382 nan 8.190 nan 0.000 0.445 1223 M N -0.396 119.136 119.600 -0.113 0.000 2.279 1223 M HA -0.126 4.356 4.480 0.004 0.000 0.264 1223 M C 1.677 178.007 176.300 0.050 0.000 1.062 1223 M CA 1.339 56.649 55.300 0.016 0.000 1.099 1223 M CB -0.380 32.205 32.600 -0.024 0.000 1.394 1223 M HN 0.308 nan 8.290 nan 0.000 0.426 1224 E N -0.134 120.024 120.200 -0.070 0.000 2.476 1224 E HA 0.149 4.501 4.350 0.004 0.000 0.191 1224 E C 1.259 177.735 176.600 -0.206 0.000 1.064 1224 E CA 0.551 56.875 56.400 -0.126 0.000 0.866 1224 E CB 0.202 29.857 29.700 -0.075 0.000 0.952 1224 E HN 0.630 nan 8.360 nan 0.000 0.492 1225 G N 0.752 109.440 108.800 -0.187 0.000 2.163 1225 G HA2 -0.196 3.766 3.960 0.004 0.000 0.213 1225 G HA3 -0.196 3.766 3.960 0.004 0.000 0.213 1225 G C 0.628 175.372 174.900 -0.259 0.000 0.991 1225 G CA -0.253 44.740 45.100 -0.178 0.000 0.653 1225 G HN 0.475 nan 8.290 nan 0.000 0.518 1226 G N -0.298 108.119 108.800 -0.638 0.000 2.441 1226 G HA2 0.569 4.531 3.960 0.004 0.000 0.243 1226 G HA3 0.569 4.531 3.960 0.004 0.000 0.243 1226 G C 0.045 174.476 174.900 -0.781 0.000 1.281 1226 G CA 0.050 44.310 45.100 -1.399 0.000 0.854 1226 G HN 0.692 nan 8.290 nan 0.000 0.560 1227 L N 0.500 121.530 121.223 -0.323 0.000 2.327 1227 L HA 0.460 4.802 4.340 0.004 0.000 0.258 1227 L C -0.109 176.787 176.870 0.044 0.000 1.024 1227 L CA -1.054 53.708 54.840 -0.130 0.000 0.825 1227 L CB 2.104 44.164 42.059 0.003 0.000 1.386 1227 L HN 0.302 nan 8.230 nan 0.000 0.417 1228 L N 1.149 122.193 121.223 -0.299 0.000 2.380 1228 L HA 0.184 4.527 4.340 0.004 0.000 0.273 1228 L C -0.098 176.882 176.870 0.184 0.000 1.138 1228 L CA -0.335 54.338 54.840 -0.278 0.000 0.832 1228 L CB 0.437 41.941 42.059 -0.925 0.000 1.124 1228 L HN 0.464 nan 8.230 nan 0.000 0.454 1229 D N 2.804 123.318 120.400 0.190 0.000 2.399 1229 D HA 0.002 4.645 4.640 0.004 0.000 0.241 1229 D C 0.101 176.536 176.300 0.225 0.000 1.133 1229 D CA -0.093 54.029 54.000 0.203 0.000 0.890 1229 D CB 0.988 41.858 40.800 0.117 0.000 1.201 1229 D HN 0.344 nan 8.370 nan 0.000 0.432 1230 K N 2.854 123.182 120.400 -0.119 0.000 2.436 1230 K HA 0.053 4.376 4.320 0.004 0.000 0.282 1230 K C -2.112 174.349 176.600 -0.231 0.000 1.044 1230 K CA -1.033 54.906 56.287 -0.580 0.000 1.028 1230 K CB 0.407 32.228 32.500 -1.132 0.000 0.919 1230 K HN 0.172 nan 8.250 nan 0.000 0.474 1231 P HA -0.005 nan 4.420 nan 0.000 0.267 1231 P C -1.095 176.072 177.300 -0.222 0.000 1.205 1231 P CA -0.215 62.736 63.100 -0.249 0.000 0.765 1231 P CB 0.507 31.921 31.700 -0.477 0.000 0.828 1232 D N 2.926 123.220 120.400 -0.176 0.000 2.586 1232 D HA -0.073 4.570 4.640 0.004 0.000 0.234 1232 D C 0.594 176.808 176.300 -0.143 0.000 1.132 1232 D CA 1.033 54.948 54.000 -0.141 0.000 0.860 1232 D CB -0.496 40.237 40.800 -0.112 0.000 1.159 1232 D HN 0.325 nan 8.370 nan 0.000 0.490 1233 N N 0.778 119.404 118.700 -0.124 0.000 2.537 1233 N HA -0.201 4.542 4.740 0.004 0.000 0.286 1233 N C -0.906 174.531 175.510 -0.122 0.000 1.245 1233 N CA 0.415 53.401 53.050 -0.107 0.000 0.704 1233 N CB -1.131 37.301 38.487 -0.092 0.000 0.910 1233 N HN 0.555 nan 8.380 nan 0.000 0.542 1234 C N 2.786 122.013 119.300 -0.121 0.000 2.599 1234 C HA 0.462 4.925 4.460 0.004 0.000 0.354 1234 C C -2.372 172.576 174.990 -0.071 0.000 1.092 1234 C CA -1.443 57.508 59.018 -0.111 0.000 1.280 1234 C CB 0.995 28.647 27.740 -0.146 0.000 1.829 1234 C HN 0.441 nan 8.230 nan 0.000 0.454 1235 P HA 0.019 nan 4.420 nan 0.000 0.267 1235 P C 0.361 177.667 177.300 0.011 0.000 1.175 1235 P CA 0.758 63.844 63.100 -0.023 0.000 0.763 1235 P CB 0.734 32.419 31.700 -0.024 0.000 0.795 1236 D N 1.603 122.014 120.400 0.017 0.000 2.084 1236 D HA -0.147 4.495 4.640 0.004 0.000 0.196 1236 D C 1.791 178.130 176.300 0.066 0.000 0.985 1236 D CA 1.661 55.694 54.000 0.055 0.000 0.826 1236 D CB -0.539 40.281 40.800 0.034 0.000 0.978 1236 D HN 0.528 nan 8.370 nan 0.000 0.456 1237 M N -0.677 118.936 119.600 0.021 0.000 2.213 1237 M HA -0.072 4.410 4.480 0.004 0.000 0.263 1237 M C 1.955 178.245 176.300 -0.018 0.000 1.062 1237 M CA 1.266 56.564 55.300 -0.004 0.000 1.105 1237 M CB -0.325 32.266 32.600 -0.016 0.000 1.385 1237 M HN -0.030 nan 8.290 nan 0.000 0.417 1238 L N 0.032 121.253 121.223 -0.003 0.000 2.046 1238 L HA -0.049 4.294 4.340 0.004 0.000 0.208 1238 L C 2.289 179.152 176.870 -0.011 0.000 1.077 1238 L CA 1.735 56.561 54.840 -0.023 0.000 0.747 1238 L CB -0.778 41.271 42.059 -0.018 0.000 0.896 1238 L HN 0.430 nan 8.230 nan 0.000 0.432 1239 F N 0.431 120.314 119.950 -0.111 0.000 2.259 1239 F HA -0.103 4.426 4.527 0.003 0.000 0.298 1239 F C 2.246 177.954 175.800 -0.153 0.000 1.088 1239 F CA 1.385 59.314 58.000 -0.119 0.000 1.358 1239 F CB -0.223 38.746 39.000 -0.052 0.000 1.040 1239 F HN 0.217 nan 8.300 nan 0.000 0.505 1240 E N 0.347 120.454 120.200 -0.154 0.000 2.153 1240 E HA -0.228 4.124 4.350 0.004 0.000 0.194 1240 E C 2.361 178.771 176.600 -0.317 0.000 0.988 1240 E CA 1.344 57.600 56.400 -0.240 0.000 0.811 1240 E CB -0.365 29.273 29.700 -0.102 0.000 0.746 1240 E HN 0.443 nan 8.360 nan 0.000 0.466 1241 L N 0.316 121.376 121.223 -0.271 0.000 1.976 1241 L HA -0.212 4.130 4.340 0.004 0.000 0.209 1241 L C 2.586 179.154 176.870 -0.504 0.000 1.071 1241 L CA 1.269 55.943 54.840 -0.277 0.000 0.746 1241 L CB -0.229 41.729 42.059 -0.169 0.000 0.890 1241 L HN 0.230 nan 8.230 nan 0.000 0.432 1242 M N -1.212 117.950 119.600 -0.730 0.000 2.106 1242 M HA -0.276 4.206 4.480 0.004 0.000 0.259 1242 M C 2.370 177.742 176.300 -1.547 0.000 1.068 1242 M CA 1.590 56.032 55.300 -1.430 0.000 1.100 1242 M CB -0.445 31.198 32.600 -1.593 0.000 1.351 1242 M HN 0.092 nan 8.290 nan 0.000 0.404 1243 R N 0.453 120.337 120.500 -1.027 0.000 2.081 1243 R HA -0.079 4.263 4.340 0.004 0.000 0.235 1243 R C 1.907 177.981 176.300 -0.378 0.000 1.131 1243 R CA 1.687 57.414 56.100 -0.622 0.000 0.960 1243 R CB -0.251 29.689 30.300 -0.600 0.000 0.856 1243 R HN 0.259 nan 8.270 nan 0.000 0.436 1244 M N -1.154 118.226 119.600 -0.366 0.000 2.288 1244 M HA -0.072 4.411 4.480 0.004 0.000 0.266 1244 M C 2.232 178.403 176.300 -0.215 0.000 1.072 1244 M CA 0.897 56.066 55.300 -0.219 0.000 1.132 1244 M CB -0.919 31.574 32.600 -0.177 0.000 1.386 1244 M HN 0.185 nan 8.290 nan 0.000 0.432 1245 C N -0.920 118.148 119.300 -0.387 0.000 2.456 1245 C HA -0.107 4.355 4.460 0.004 0.000 0.279 1245 C C 1.659 176.505 174.990 -0.239 0.000 1.427 1245 C CA 0.195 59.005 59.018 -0.345 0.000 1.778 1245 C CB -1.025 26.406 27.740 -0.515 0.000 1.842 1245 C HN 0.598 nan 8.230 nan 0.000 0.531 1246 W N 0.343 121.448 121.300 -0.325 0.000 3.102 1246 W HA 0.301 4.964 4.660 0.006 0.000 0.401 1246 W C 0.387 176.907 176.519 0.003 0.000 1.070 1246 W CA -0.662 56.398 57.345 -0.475 0.000 1.921 1246 W CB -1.024 27.976 29.460 -0.767 0.000 1.118 1246 W HN 0.301 nan 8.180 nan 0.000 0.647 1247 Q N 0.663 120.589 119.800 0.210 0.000 2.247 1247 Q HA -0.140 4.202 4.340 0.004 0.000 0.288 1247 Q C 1.080 177.253 176.000 0.289 0.000 1.079 1247 Q CA 0.378 56.294 55.803 0.188 0.000 0.932 1247 Q CB 0.469 29.254 28.738 0.079 0.000 1.133 1247 Q HN 0.339 nan 8.270 nan 0.000 0.377 1248 Y N 4.087 124.495 120.300 0.180 0.000 2.151 1248 Y HA -0.268 4.284 4.550 0.004 0.000 0.284 1248 Y C 0.402 176.331 175.900 0.048 0.000 1.166 1248 Y CA 1.570 59.748 58.100 0.130 0.000 1.163 1248 Y CB 0.364 38.853 38.460 0.048 0.000 0.974 1248 Y HN 0.603 nan 8.280 nan 0.000 0.511 1249 N N 1.486 120.266 118.700 0.133 0.000 2.442 1249 N HA 0.015 4.757 4.740 0.004 0.000 0.265 1249 N C -2.100 173.362 175.510 -0.080 0.000 1.138 1249 N CA -0.990 52.067 53.050 0.012 0.000 0.956 1249 N CB 1.090 39.593 38.487 0.027 0.000 1.067 1249 N HN 0.138 nan 8.380 nan 0.000 0.474 1250 P HA -0.204 nan 4.420 nan 0.000 0.213 1250 P C 0.806 177.773 177.300 -0.555 0.000 1.170 1250 P CA 1.460 64.394 63.100 -0.276 0.000 0.902 1250 P CB 0.249 31.811 31.700 -0.229 0.000 0.789 1251 K N -1.029 119.014 120.400 -0.595 0.000 2.281 1251 K HA -0.076 4.247 4.320 0.004 0.000 0.203 1251 K C 1.823 178.259 176.600 -0.274 0.000 1.046 1251 K CA 1.219 57.180 56.287 -0.543 0.000 0.938 1251 K CB -0.407 31.910 32.500 -0.303 0.000 0.737 1251 K HN 0.269 nan 8.250 nan 0.000 0.458 1252 M N 0.274 119.768 119.600 -0.178 0.000 2.556 1252 M HA 0.018 4.501 4.480 0.004 0.000 0.245 1252 M C 0.232 176.486 176.300 -0.076 0.000 1.128 1252 M CA 0.448 55.693 55.300 -0.093 0.000 1.069 1252 M CB 0.179 32.752 32.600 -0.045 0.000 1.469 1252 M HN -0.051 nan 8.290 nan 0.000 0.494 1253 R N 1.860 122.303 120.500 -0.093 0.000 2.490 1253 R HA 0.276 4.619 4.340 0.004 0.000 0.278 1253 R C -2.189 174.070 176.300 -0.068 0.000 1.069 1253 R CA -1.514 54.553 56.100 -0.056 0.000 1.080 1253 R CB -0.017 30.284 30.300 0.001 0.000 1.030 1253 R HN -0.022 nan 8.270 nan 0.000 0.491 1254 P HA 0.017 nan 4.420 nan 0.000 0.274 1254 P C -0.684 176.541 177.300 -0.125 0.000 1.237 1254 P CA -0.363 62.687 63.100 -0.085 0.000 0.793 1254 P CB 1.102 32.746 31.700 -0.094 0.000 0.977 1255 S N 0.539 116.192 115.700 -0.079 0.000 2.669 1255 S HA 0.252 4.724 4.470 0.004 0.000 0.270 1255 S C 1.102 175.595 174.600 -0.178 0.000 1.225 1255 S CA -0.424 57.724 58.200 -0.088 0.000 0.991 1255 S CB -0.025 63.211 63.200 0.060 0.000 0.987 1255 S HN 0.253 nan 8.310 nan 0.000 0.552 1256 F N 0.121 120.064 119.950 -0.011 0.000 2.134 1256 F HA 0.029 4.558 4.527 0.003 0.000 0.299 1256 F C 2.113 177.896 175.800 -0.028 0.000 1.097 1256 F CA 1.068 59.009 58.000 -0.099 0.000 1.264 1256 F CB -0.704 38.241 39.000 -0.091 0.000 1.001 1256 F HN 0.433 nan 8.300 nan 0.000 0.479 1257 L N -0.501 120.872 121.223 0.250 0.000 2.131 1257 L HA -0.197 4.145 4.340 0.004 0.000 0.210 1257 L C 2.325 179.294 176.870 0.165 0.000 1.092 1257 L CA 1.296 56.299 54.840 0.271 0.000 0.759 1257 L CB -0.482 41.752 42.059 0.292 0.000 0.903 1257 L HN 0.169 nan 8.230 nan 0.000 0.435 1258 E N 0.191 120.440 120.200 0.082 0.000 2.107 1258 E HA -0.149 4.203 4.350 0.004 0.000 0.191 1258 E C 2.285 178.870 176.600 -0.025 0.000 0.982 1258 E CA 0.698 57.117 56.400 0.031 0.000 0.809 1258 E CB 0.113 29.817 29.700 0.006 0.000 0.756 1258 E HN 0.437 nan 8.360 nan 0.000 0.459 1259 I N 0.649 121.186 120.570 -0.056 0.000 2.252 1259 I HA -0.265 3.908 4.170 0.004 0.000 0.245 1259 I C 2.109 178.169 176.117 -0.095 0.000 1.102 1259 I CA 0.913 62.171 61.300 -0.070 0.000 1.385 1259 I CB -0.135 37.802 38.000 -0.105 0.000 1.064 1259 I HN 0.159 nan 8.210 nan 0.000 0.414 1260 I N -0.106 120.374 120.570 -0.150 0.000 2.202 1260 I HA -0.293 3.880 4.170 0.004 0.000 0.242 1260 I C 2.763 178.631 176.117 -0.415 0.000 1.091 1260 I CA 1.414 62.519 61.300 -0.325 0.000 1.368 1260 I CB -0.457 37.246 38.000 -0.496 0.000 1.058 1260 I HN 0.193 nan 8.210 nan 0.000 0.410 1261 S N 0.639 116.133 115.700 -0.343 0.000 2.420 1261 S HA -0.209 4.263 4.470 0.004 0.000 0.237 1261 S C 1.978 176.547 174.600 -0.052 0.000 1.023 1261 S CA 1.988 60.118 58.200 -0.117 0.000 0.991 1261 S CB -0.390 62.869 63.200 0.098 0.000 0.792 1261 S HN 0.586 nan 8.310 nan 0.000 0.488 1262 S N 0.376 116.037 115.700 -0.064 0.000 2.556 1262 S HA 0.261 4.734 4.470 0.004 0.000 0.216 1262 S C 0.975 175.547 174.600 -0.047 0.000 0.970 1262 S CA -0.032 58.145 58.200 -0.038 0.000 0.912 1262 S CB -0.480 62.700 63.200 -0.034 0.000 0.790 1262 S HN 0.813 nan 8.310 nan 0.000 0.504 1263 I N -3.181 117.340 120.570 -0.081 0.000 3.813 1263 I HA 0.453 4.625 4.170 0.004 0.000 0.323 1263 I C 0.998 177.056 176.117 -0.098 0.000 1.536 1263 I CA -0.752 60.499 61.300 -0.082 0.000 1.083 1263 I CB 0.370 38.315 38.000 -0.091 0.000 1.265 1263 I HN -0.101 nan 8.210 nan 0.000 0.507 1264 K N 1.522 121.886 120.400 -0.060 0.000 2.026 1264 K HA -0.084 4.238 4.320 0.004 0.000 0.208 1264 K C 1.487 178.125 176.600 0.064 0.000 1.048 1264 K CA 1.670 57.975 56.287 0.030 0.000 0.929 1264 K CB -0.101 32.489 32.500 0.150 0.000 0.713 1264 K HN 0.375 nan 8.250 nan 0.000 0.439 1265 E N 1.341 121.572 120.200 0.051 0.000 2.130 1265 E HA -0.200 4.153 4.350 0.004 0.000 0.196 1265 E C 1.671 178.282 176.600 0.018 0.000 0.998 1265 E CA 1.149 57.576 56.400 0.045 0.000 0.806 1265 E CB -0.158 29.561 29.700 0.032 0.000 0.738 1265 E HN 0.363 nan 8.360 nan 0.000 0.459 1266 E N -0.072 120.121 120.200 -0.012 0.000 2.482 1266 E HA 0.017 4.369 4.350 0.004 0.000 0.196 1266 E C 0.683 177.253 176.600 -0.051 0.000 1.047 1266 E CA 0.170 56.552 56.400 -0.029 0.000 0.869 1266 E CB 0.014 29.689 29.700 -0.042 0.000 0.836 1266 E HN 0.200 nan 8.360 nan 0.000 0.520 1267 M N 0.963 120.524 119.600 -0.065 0.000 2.250 1267 M HA 0.157 4.640 4.480 0.004 0.000 0.344 1267 M C 0.525 176.826 176.300 0.002 0.000 1.150 1267 M CA -0.772 54.462 55.300 -0.112 0.000 1.147 1267 M CB 0.563 33.003 32.600 -0.266 0.000 1.498 1267 M HN -0.208 nan 8.290 nan 0.000 0.461 1268 E N 2.798 123.013 120.200 0.026 0.000 2.467 1268 E HA -0.018 4.334 4.350 0.004 0.000 0.264 1268 E C -1.642 175.026 176.600 0.113 0.000 1.020 1268 E CA -0.551 55.896 56.400 0.078 0.000 0.945 1268 E CB 0.424 30.190 29.700 0.110 0.000 0.942 1268 E HN 0.337 nan 8.360 nan 0.000 0.449 1269 P HA -0.076 nan 4.420 nan 0.000 0.219 1269 P C 0.952 178.281 177.300 0.049 0.000 1.146 1269 P CA 1.494 64.624 63.100 0.049 0.000 0.808 1269 P CB 0.227 31.943 31.700 0.028 0.000 0.779 1270 G N -1.000 107.849 108.800 0.082 0.000 2.422 1270 G HA2 -0.278 3.684 3.960 0.004 0.000 0.218 1270 G HA3 -0.278 3.684 3.960 0.004 0.000 0.218 1270 G C 1.330 176.290 174.900 0.101 0.000 1.140 1270 G CA 0.063 45.203 45.100 0.067 0.000 0.775 1270 G HN 0.154 nan 8.290 nan 0.000 0.545 1271 F N 1.683 121.659 119.950 0.044 0.000 2.141 1271 F HA -0.213 4.316 4.527 0.003 0.000 0.300 1271 F C 2.557 178.385 175.800 0.048 0.000 1.079 1271 F CA 2.004 60.069 58.000 0.109 0.000 1.264 1271 F CB -0.068 39.006 39.000 0.124 0.000 1.011 1271 F HN 0.157 nan 8.300 nan 0.000 0.487 1272 R N 0.085 120.500 120.500 -0.143 0.000 2.148 1272 R HA -0.119 4.223 4.340 0.004 0.000 0.227 1272 R C 1.736 177.855 176.300 -0.302 0.000 1.103 1272 R CA 1.454 57.226 56.100 -0.547 0.000 0.983 1272 R CB -0.164 29.729 30.300 -0.680 0.000 0.874 1272 R HN 0.246 nan 8.270 nan 0.000 0.451 1273 E N -0.179 119.913 120.200 -0.180 0.000 2.385 1273 E HA -0.060 4.292 4.350 0.004 0.000 0.194 1273 E C 1.711 178.217 176.600 -0.157 0.000 1.013 1273 E CA 1.004 57.320 56.400 -0.139 0.000 0.866 1273 E CB 0.843 30.478 29.700 -0.108 0.000 0.832 1273 E HN 0.420 nan 8.360 nan 0.000 0.500 1274 V N -1.991 117.810 119.914 -0.188 0.000 3.371 1274 V HA 0.178 4.300 4.120 0.004 0.000 0.246 1274 V C 1.203 177.252 176.094 -0.076 0.000 1.303 1274 V CA 0.199 62.349 62.300 -0.249 0.000 1.156 1274 V CB 0.024 31.471 31.823 -0.626 0.000 0.929 1274 V HN 0.068 nan 8.190 nan 0.000 0.459 1275 S N 0.446 116.062 115.700 -0.141 0.000 2.572 1275 S HA 0.154 4.626 4.470 0.004 0.000 0.267 1275 S C 0.704 175.347 174.600 0.072 0.000 1.361 1275 S CA 0.545 58.650 58.200 -0.157 0.000 1.009 1275 S CB 0.420 63.031 63.200 -0.982 0.000 0.888 1275 S HN 0.591 nan 8.310 nan 0.000 0.553 1276 F N 1.794 121.782 119.950 0.063 0.000 2.335 1276 F HA 0.090 4.620 4.527 0.005 0.000 0.296 1276 F C 1.860 177.727 175.800 0.111 0.000 1.091 1276 F CA 0.561 58.639 58.000 0.129 0.000 1.399 1276 F CB -0.844 38.295 39.000 0.232 0.000 1.067 1276 F HN 0.781 nan 8.300 nan 0.000 0.520 1277 Y N 0.450 120.635 120.300 -0.192 0.000 2.069 1277 Y HA -0.350 4.202 4.550 0.003 0.000 0.278 1277 Y C 1.683 177.321 175.900 -0.436 0.000 1.175 1277 Y CA 2.488 60.384 58.100 -0.339 0.000 1.134 1277 Y CB -1.025 37.336 38.460 -0.164 0.000 0.965 1277 Y HN 0.185 nan 8.280 nan 0.000 0.498 1278 Y N -0.133 120.045 120.300 -0.204 0.000 2.482 1278 Y HA 0.144 4.697 4.550 0.004 0.000 0.270 1278 Y C 1.484 177.260 175.900 -0.206 0.000 1.152 1278 Y CA 0.132 58.099 58.100 -0.221 0.000 1.292 1278 Y CB -0.571 37.833 38.460 -0.093 0.000 1.070 1278 Y HN -0.015 nan 8.280 nan 0.000 0.528 1279 S N 0.248 115.901 115.700 -0.078 0.000 2.566 1279 S HA -0.066 4.407 4.470 0.004 0.000 0.280 1279 S C 0.953 175.501 174.600 -0.087 0.000 1.343 1279 S CA -0.432 57.744 58.200 -0.040 0.000 1.036 1279 S CB 0.872 64.102 63.200 0.050 0.000 0.866 1279 S HN 0.478 nan 8.310 nan 0.000 0.526 1280 E N 0.723 120.911 120.200 -0.020 0.000 2.463 1280 E HA -0.105 4.247 4.350 0.004 0.000 0.201 1280 E C 0.833 177.426 176.600 -0.012 0.000 1.045 1280 E CA 0.837 57.224 56.400 -0.022 0.000 0.872 1280 E CB -0.068 29.636 29.700 0.007 0.000 0.797 1280 E HN 0.750 nan 8.360 nan 0.000 0.538 1281 E N 0.729 120.943 120.200 0.023 0.000 2.394 1281 E HA 0.026 4.378 4.350 0.004 0.000 0.191 1281 E C -0.213 176.425 176.600 0.064 0.000 1.044 1281 E CA -0.153 56.311 56.400 0.107 0.000 0.939 1281 E CB 0.021 29.885 29.700 0.273 0.000 1.089 1281 E HN -0.003 nan 8.360 nan 0.000 0.456 1282 N N 1.665 120.252 118.700 -0.188 0.000 2.776 1282 N HA 0.076 4.818 4.740 0.004 0.000 0.245 1282 N C -0.702 174.695 175.510 -0.189 0.000 1.121 1282 N CA -0.291 52.578 53.050 -0.300 0.000 0.852 1282 N CB 0.408 38.408 38.487 -0.812 0.000 1.142 1282 N HN -0.150 nan 8.380 nan 0.000 0.514 1283 K N 0.000 120.355 120.400 -0.075 0.000 2.780 1283 K HA 0.000 4.322 4.320 0.004 0.000 0.191 1283 K CA 0.000 56.250 56.287 -0.061 0.000 0.838 1283 K CB 0.000 32.489 32.500 -0.019 0.000 1.064 1283 K HN 0.000 nan 8.250 nan 0.000 0.543