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 1hn9_1_B DATA FIRST_RESID 1001 DATA SEQUENCE MYTKIIGTGS YLPEQVRTNA DLEKMVDTSD EWIVTRTGIR ERHIAAPNET DATA SEQUENCE VSTMGFEAAT RAIEMAGIEK DQIGLIVVAT TSATHAFPSA ACQIQSMLGI DATA SEQUENCE KGCPAFDVAA ACAGFTYALS VADQYVKSGA VKYALVVGSD VLARTCDPTD DATA SEQUENCE RGTIIIFGDG AGAAVLAASE EPGIISTHLH ADGSYGELLT LPNADRVNPE DATA SEQUENCE NSIHLTMAGN EVFKVAVTEL AHIVDETLAA NNLDRSQLDW LVPHQANLRI DATA SEQUENCE ISATAKKLGM SMDNVVVTLD RHGNTSAASV PCALDEAVRD GRIKPGQLVL DATA SEQUENCE LEAFGGGFTW GSALVRF 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 1001 M HA 0.000 nan 4.480 nan 0.000 0.227 1001 M C 0.000 176.059 176.300 -0.402 0.000 1.140 1001 M CA 0.000 55.200 55.300 -0.167 0.000 0.988 1001 M CB 0.000 32.531 32.600 -0.115 0.000 1.302 1002 Y N -0.908 119.370 120.300 -0.037 0.000 2.665 1002 Y HA 0.756 5.305 4.550 -0.001 0.000 0.336 1002 Y C 0.371 176.247 175.900 -0.040 0.000 1.085 1002 Y CA -0.454 57.622 58.100 -0.040 0.000 1.096 1002 Y CB 2.081 40.517 38.460 -0.039 0.000 1.301 1002 Y HN 0.537 nan 8.280 nan 0.000 0.493 1003 T N 1.636 116.277 114.554 0.145 0.000 2.856 1003 T HA 0.512 4.862 4.350 -0.001 0.000 0.283 1003 T C -1.035 173.694 174.700 0.048 0.000 1.008 1003 T CA -1.049 61.090 62.100 0.064 0.000 0.997 1003 T CB 1.072 69.960 68.868 0.033 0.000 0.992 1003 T HN 0.292 nan 8.240 nan 0.000 0.454 1004 K N 1.952 122.372 120.400 0.034 0.000 2.371 1004 K HA 0.540 4.860 4.320 -0.001 0.000 0.251 1004 K C -0.774 175.849 176.600 0.037 0.000 0.934 1004 K CA -0.780 55.508 56.287 0.002 0.000 0.798 1004 K CB 2.315 34.825 32.500 0.018 0.000 1.204 1004 K HN 0.504 nan 8.250 nan 0.000 0.427 1005 I N 5.112 125.692 120.570 0.017 0.000 2.322 1005 I HA 0.119 4.289 4.170 -0.001 0.000 0.292 1005 I C 1.240 177.460 176.117 0.171 0.000 1.060 1005 I CA -0.008 61.364 61.300 0.120 0.000 1.309 1005 I CB 0.408 38.522 38.000 0.190 0.000 1.415 1005 I HN 0.636 nan 8.210 nan 0.000 0.492 1006 I N 2.390 123.050 120.570 0.150 0.000 4.018 1006 I HA 0.522 4.691 4.170 -0.001 0.000 0.337 1006 I C 0.640 176.819 176.117 0.103 0.000 1.327 1006 I CA -0.147 61.233 61.300 0.134 0.000 1.100 1006 I CB 0.491 38.566 38.000 0.125 0.000 1.025 1006 I HN 0.493 nan 8.210 nan 0.000 0.396 1007 G N 0.973 109.835 108.800 0.104 0.000 2.759 1007 G HA2 0.585 4.545 3.960 -0.001 0.000 0.297 1007 G HA3 0.585 4.545 3.960 -0.001 0.000 0.297 1007 G C -0.998 173.945 174.900 0.071 0.000 1.434 1007 G CA -0.123 45.014 45.100 0.062 0.000 0.980 1007 G HN 0.192 nan 8.290 nan 0.000 0.531 1008 T N -1.682 112.892 114.554 0.034 0.000 2.903 1008 T HA 0.915 5.264 4.350 -0.001 0.000 0.299 1008 T C -0.060 174.630 174.700 -0.015 0.000 1.093 1008 T CA -0.350 61.763 62.100 0.021 0.000 1.002 1008 T CB 2.274 71.143 68.868 0.001 0.000 1.127 1008 T HN 1.895 nan 8.240 nan 0.000 0.488 1009 G N 0.176 108.960 108.800 -0.027 0.000 2.673 1009 G HA2 0.673 4.632 3.960 -0.001 0.000 0.292 1009 G HA3 0.673 4.632 3.960 -0.001 0.000 0.292 1009 G C -1.116 173.760 174.900 -0.040 0.000 1.450 1009 G CA -0.358 44.719 45.100 -0.037 0.000 0.837 1009 G HN 1.522 nan 8.290 nan 0.000 0.505 1010 S N -0.911 114.769 115.700 -0.032 0.000 2.579 1010 S HA 0.801 5.271 4.470 -0.001 0.000 0.272 1010 S C -1.774 172.838 174.600 0.020 0.000 1.141 1010 S CA -0.896 57.286 58.200 -0.030 0.000 0.843 1010 S CB 2.223 65.380 63.200 -0.072 0.000 1.122 1010 S HN 1.714 nan 8.310 nan 0.000 0.468 1011 Y N 1.041 121.266 120.300 -0.125 0.000 2.396 1011 Y HA 0.695 5.245 4.550 -0.001 0.000 0.332 1011 Y C -2.416 173.383 175.900 -0.169 0.000 1.034 1011 Y CA -0.949 57.077 58.100 -0.123 0.000 1.057 1011 Y CB 1.191 39.605 38.460 -0.076 0.000 1.220 1011 Y HN 0.790 nan 8.280 nan 0.000 0.440 1012 L N 8.784 129.449 121.223 -0.930 0.000 2.333 1012 L HA 0.626 4.965 4.340 -0.001 0.000 0.280 1012 L C -2.246 174.069 176.870 -0.925 0.000 1.004 1012 L CA -2.061 52.275 54.840 -0.840 0.000 0.820 1012 L CB 1.462 42.895 42.059 -1.042 0.000 1.247 1012 L HN 0.568 nan 8.230 nan 0.000 0.416 1013 P HA -0.030 nan 4.420 nan 0.000 0.270 1013 P C 0.634 177.917 177.300 -0.030 0.000 1.216 1013 P CA 0.013 63.022 63.100 -0.152 0.000 0.788 1013 P CB 0.806 32.550 31.700 0.072 0.000 0.883 1014 E N 1.001 121.220 120.200 0.031 0.000 2.028 1014 E HA -0.199 4.151 4.350 -0.001 0.000 0.191 1014 E C 0.707 177.340 176.600 0.056 0.000 0.988 1014 E CA 0.553 56.986 56.400 0.056 0.000 0.799 1014 E CB -0.018 29.715 29.700 0.055 0.000 0.755 1014 E HN 0.440 nan 8.360 nan 0.000 0.447 1015 Q N 1.016 120.837 119.800 0.035 0.000 2.315 1015 Q HA 0.056 4.395 4.340 -0.001 0.000 0.289 1015 Q C -1.220 174.725 176.000 -0.091 0.000 1.044 1015 Q CA -0.062 55.735 55.803 -0.010 0.000 0.920 1015 Q CB 0.914 29.657 28.738 0.008 0.000 1.214 1015 Q HN 0.036 nan 8.270 nan 0.000 0.392 1016 V N 4.822 124.649 119.914 -0.144 0.000 2.555 1016 V HA 0.441 4.560 4.120 -0.001 0.000 0.302 1016 V C -0.398 175.616 176.094 -0.133 0.000 1.038 1016 V CA -0.677 61.468 62.300 -0.259 0.000 0.887 1016 V CB 1.843 33.493 31.823 -0.288 0.000 0.991 1016 V HN 0.773 nan 8.190 nan 0.000 0.434 1017 R N 2.735 123.166 120.500 -0.116 0.000 2.275 1017 R HA 0.534 4.873 4.340 -0.001 0.000 0.326 1017 R C 0.072 176.343 176.300 -0.048 0.000 0.973 1017 R CA -0.242 55.827 56.100 -0.052 0.000 0.854 1017 R CB 1.189 31.479 30.300 -0.017 0.000 1.156 1017 R HN 0.938 nan 8.270 nan 0.000 0.487 1018 T N 0.553 115.085 114.554 -0.038 0.000 2.862 1018 T HA 0.188 4.538 4.350 -0.001 0.000 0.276 1018 T C 0.972 175.668 174.700 -0.005 0.000 0.974 1018 T CA -0.799 61.286 62.100 -0.026 0.000 0.966 1018 T CB 0.988 69.841 68.868 -0.025 0.000 1.072 1018 T HN 0.444 nan 8.240 nan 0.000 0.538 1019 N N 0.404 119.106 118.700 0.003 0.000 2.244 1019 N HA -0.004 4.736 4.740 -0.001 0.000 0.183 1019 N C 2.138 177.659 175.510 0.019 0.000 1.016 1019 N CA 1.333 54.395 53.050 0.020 0.000 0.866 1019 N CB -0.980 37.523 38.487 0.027 0.000 0.980 1019 N HN 0.802 nan 8.380 nan 0.000 0.430 1020 A N 1.062 123.887 122.820 0.008 0.000 1.933 1020 A HA -0.144 4.175 4.320 -0.001 0.000 0.218 1020 A C 1.769 179.355 177.584 0.003 0.000 1.175 1020 A CA 1.499 53.539 52.037 0.005 0.000 0.628 1020 A CB -0.343 18.657 19.000 0.000 0.000 0.814 1020 A HN 0.110 nan 8.150 nan 0.000 0.444 1021 D N -0.105 120.296 120.400 0.001 0.000 2.117 1021 D HA -0.111 4.529 4.640 -0.001 0.000 0.197 1021 D C 1.807 178.110 176.300 0.006 0.000 0.987 1021 D CA 0.808 54.808 54.000 0.000 0.000 0.829 1021 D CB -0.238 40.559 40.800 -0.005 0.000 0.961 1021 D HN 0.221 nan 8.370 nan 0.000 0.460 1022 L N 1.291 122.522 121.223 0.014 0.000 2.131 1022 L HA -0.107 4.232 4.340 -0.001 0.000 0.210 1022 L C 2.122 179.001 176.870 0.014 0.000 1.092 1022 L CA 1.337 56.190 54.840 0.022 0.000 0.759 1022 L CB -1.070 41.014 42.059 0.041 0.000 0.903 1022 L HN 0.125 nan 8.230 nan 0.000 0.435 1023 E N -0.043 120.165 120.200 0.012 0.000 2.209 1023 E HA -0.214 4.136 4.350 -0.001 0.000 0.196 1023 E C 2.051 178.646 176.600 -0.009 0.000 0.993 1023 E CA 1.506 57.907 56.400 0.000 0.000 0.819 1023 E CB 0.006 29.708 29.700 0.003 0.000 0.745 1023 E HN 0.556 nan 8.360 nan 0.000 0.477 1024 K N 0.039 120.436 120.400 -0.005 0.000 2.393 1024 K HA 0.132 4.452 4.320 -0.001 0.000 0.193 1024 K C 1.481 178.076 176.600 -0.008 0.000 1.026 1024 K CA 0.367 56.649 56.287 -0.008 0.000 1.064 1024 K CB -0.085 32.411 32.500 -0.005 0.000 0.833 1024 K HN 0.050 nan 8.250 nan 0.000 0.521 1025 M N -0.183 119.413 119.600 -0.006 0.000 2.557 1025 M HA 0.135 4.615 4.480 -0.001 0.000 0.262 1025 M C 0.683 176.975 176.300 -0.013 0.000 1.168 1025 M CA 0.749 56.045 55.300 -0.006 0.000 1.194 1025 M CB 0.910 33.511 32.600 0.003 0.000 1.311 1025 M HN 0.217 nan 8.290 nan 0.000 0.489 1026 V N -3.183 116.721 119.914 -0.017 0.000 3.141 1026 V HA 0.483 4.602 4.120 -0.001 0.000 0.312 1026 V C -1.323 174.736 176.094 -0.059 0.000 1.157 1026 V CA -1.261 61.019 62.300 -0.034 0.000 1.041 1026 V CB 1.665 33.473 31.823 -0.025 0.000 1.071 1026 V HN 0.090 nan 8.190 nan 0.000 0.441 1027 D N 1.420 121.764 120.400 -0.093 0.000 2.383 1027 D HA 0.543 5.182 4.640 -0.001 0.000 0.245 1027 D C -0.097 176.073 176.300 -0.216 0.000 1.263 1027 D CA 0.981 54.902 54.000 -0.133 0.000 0.936 1027 D CB 0.109 40.826 40.800 -0.139 0.000 1.053 1027 D HN 1.051 nan 8.370 nan 0.000 0.507 1028 T N 1.053 115.508 114.554 -0.165 0.000 2.648 1028 T HA 0.645 4.994 4.350 -0.001 0.000 0.304 1028 T C -1.555 173.109 174.700 -0.060 0.000 1.312 1028 T CA -0.413 61.571 62.100 -0.194 0.000 1.023 1028 T CB 0.718 69.530 68.868 -0.092 0.000 1.612 1028 T HN 0.295 nan 8.240 nan 0.000 0.487 1029 S N 0.020 115.746 115.700 0.045 0.000 2.588 1029 S HA 0.464 4.933 4.470 -0.001 0.000 0.275 1029 S C 0.457 175.139 174.600 0.137 0.000 1.130 1029 S CA -0.114 58.132 58.200 0.077 0.000 0.855 1029 S CB 1.618 64.862 63.200 0.073 0.000 1.116 1029 S HN 0.806 nan 8.310 nan 0.000 0.472 1030 D N 0.983 121.434 120.400 0.085 0.000 2.116 1030 D HA -0.236 4.403 4.640 -0.001 0.000 0.193 1030 D C 1.553 177.905 176.300 0.086 0.000 0.998 1030 D CA 2.218 56.261 54.000 0.073 0.000 0.836 1030 D CB -0.110 40.714 40.800 0.040 0.000 0.951 1030 D HN 0.778 nan 8.370 nan 0.000 0.449 1031 E N -1.319 118.935 120.200 0.090 0.000 2.085 1031 E HA -0.193 4.156 4.350 -0.001 0.000 0.194 1031 E C 1.896 178.559 176.600 0.105 0.000 0.994 1031 E CA 0.988 57.434 56.400 0.077 0.000 0.801 1031 E CB -0.378 29.365 29.700 0.071 0.000 0.743 1031 E HN 0.528 nan 8.360 nan 0.000 0.453 1032 W N 1.010 122.299 121.300 -0.018 0.000 2.358 1032 W HA -0.140 4.520 4.660 -0.001 0.000 0.303 1032 W C 1.859 178.364 176.519 -0.022 0.000 1.208 1032 W CA 1.720 59.053 57.345 -0.020 0.000 1.274 1032 W CB -0.195 29.255 29.460 -0.017 0.000 1.138 1032 W HN 0.065 nan 8.180 nan 0.000 0.515 1033 I N -0.514 120.173 120.570 0.194 0.000 2.179 1033 I HA -0.326 3.843 4.170 -0.001 0.000 0.242 1033 I C 2.145 178.205 176.117 -0.095 0.000 1.088 1033 I CA 1.366 62.689 61.300 0.038 0.000 1.357 1033 I CB -1.117 36.953 38.000 0.117 0.000 1.051 1033 I HN -0.212 nan 8.210 nan 0.000 0.409 1034 V N 0.481 120.364 119.914 -0.052 0.000 2.343 1034 V HA -0.289 3.830 4.120 -0.001 0.000 0.247 1034 V C 2.512 178.532 176.094 -0.124 0.000 1.051 1034 V CA 2.507 64.764 62.300 -0.072 0.000 1.036 1034 V CB -1.045 30.756 31.823 -0.037 0.000 0.654 1034 V HN 0.471 nan 8.190 nan 0.000 0.451 1035 T N -0.479 113.979 114.554 -0.160 0.000 2.746 1035 T HA -0.170 4.180 4.350 -0.001 0.000 0.267 1035 T C 2.076 176.607 174.700 -0.281 0.000 1.039 1035 T CA 1.411 63.390 62.100 -0.202 0.000 1.142 1035 T CB -0.200 68.540 68.868 -0.212 0.000 0.866 1035 T HN 0.403 nan 8.240 nan 0.000 0.444 1036 R N 0.416 120.660 120.500 -0.428 0.000 2.127 1036 R HA 0.006 4.346 4.340 -0.001 0.000 0.217 1036 R C 2.673 178.810 176.300 -0.273 0.000 1.074 1036 R CA 1.680 57.514 56.100 -0.444 0.000 0.991 1036 R CB -0.158 29.689 30.300 -0.755 0.000 0.895 1036 R HN 0.523 nan 8.270 nan 0.000 0.450 1037 T N -5.105 109.317 114.554 -0.220 0.000 2.955 1037 T HA 0.211 4.560 4.350 -0.001 0.000 0.251 1037 T C 1.402 176.032 174.700 -0.116 0.000 1.002 1037 T CA 0.644 62.653 62.100 -0.151 0.000 0.970 1037 T CB 1.088 69.873 68.868 -0.138 0.000 1.091 1037 T HN 0.307 nan 8.240 nan 0.000 0.495 1038 G N 1.715 110.450 108.800 -0.107 0.000 2.179 1038 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.260 1038 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.260 1038 G C 0.031 174.890 174.900 -0.069 0.000 0.977 1038 G CA 0.231 45.282 45.100 -0.082 0.000 0.641 1038 G HN 0.685 nan 8.290 nan 0.000 0.533 1039 I N 0.149 120.677 120.570 -0.070 0.000 2.428 1039 I HA 0.425 4.594 4.170 -0.001 0.000 0.289 1039 I C 1.548 177.646 176.117 -0.031 0.000 1.019 1039 I CA -0.505 60.764 61.300 -0.051 0.000 1.351 1039 I CB 1.297 39.263 38.000 -0.056 0.000 1.412 1039 I HN 0.058 nan 8.210 nan 0.000 0.513 1040 R N 3.167 123.654 120.500 -0.021 0.000 2.310 1040 R HA 0.298 4.637 4.340 -0.001 0.000 0.199 1040 R C -0.216 176.077 176.300 -0.013 0.000 0.891 1040 R CA 0.129 56.220 56.100 -0.014 0.000 1.060 1040 R CB 0.720 31.011 30.300 -0.015 0.000 1.188 1040 R HN 0.621 nan 8.270 nan 0.000 0.607 1041 E N 0.501 120.696 120.200 -0.008 0.000 2.390 1041 E HA 0.421 4.770 4.350 -0.001 0.000 0.277 1041 E C -1.335 175.269 176.600 0.007 0.000 0.939 1041 E CA -0.818 55.567 56.400 -0.025 0.000 0.769 1041 E CB 2.579 32.249 29.700 -0.050 0.000 1.251 1041 E HN -0.083 nan 8.360 nan 0.000 0.450 1042 R N 0.607 121.089 120.500 -0.029 0.000 2.698 1042 R HA 0.478 4.818 4.340 -0.001 0.000 0.275 1042 R C -1.308 174.956 176.300 -0.060 0.000 1.001 1042 R CA -0.876 55.248 56.100 0.040 0.000 0.896 1042 R CB 1.085 31.418 30.300 0.055 0.000 1.218 1042 R HN 0.427 nan 8.270 nan 0.000 0.462 1043 H N 1.327 120.388 119.070 -0.015 0.000 2.481 1043 H HA 0.448 5.003 4.556 -0.001 0.000 0.339 1043 H C -0.169 175.154 175.328 -0.008 0.000 1.131 1043 H CA -0.215 55.810 56.048 -0.039 0.000 1.301 1043 H CB 0.973 30.667 29.762 -0.114 0.000 1.476 1043 H HN 0.221 nan 8.280 nan 0.000 0.529 1044 I N 1.713 122.330 120.570 0.079 0.000 2.436 1044 I HA 0.324 4.493 4.170 -0.001 0.000 0.289 1044 I C 0.325 176.491 176.117 0.082 0.000 1.010 1044 I CA -0.945 60.398 61.300 0.072 0.000 1.098 1044 I CB 1.234 39.260 38.000 0.043 0.000 1.266 1044 I HN 0.658 nan 8.210 nan 0.000 0.434 1045 A N 4.961 127.837 122.820 0.093 0.000 2.488 1045 A HA 0.567 4.886 4.320 -0.001 0.000 0.249 1045 A C 0.729 178.364 177.584 0.084 0.000 1.083 1045 A CA -0.079 52.022 52.037 0.106 0.000 0.768 1045 A CB 0.171 19.235 19.000 0.107 0.000 1.017 1045 A HN 0.915 nan 8.150 nan 0.000 0.496 1046 A N 3.978 126.852 122.820 0.091 0.000 2.386 1046 A HA 0.482 4.801 4.320 -0.001 0.000 0.246 1046 A C -1.123 176.495 177.584 0.057 0.000 1.089 1046 A CA -0.760 51.318 52.037 0.068 0.000 0.790 1046 A CB -0.483 18.560 19.000 0.073 0.000 1.042 1046 A HN 0.626 nan 8.150 nan 0.000 0.497 1047 P HA -0.151 nan 4.420 nan 0.000 0.217 1047 P C 0.724 178.044 177.300 0.033 0.000 1.148 1047 P CA 1.690 64.811 63.100 0.034 0.000 0.828 1047 P CB 0.006 31.722 31.700 0.027 0.000 0.783 1048 N N -1.250 117.471 118.700 0.035 0.000 2.268 1048 N HA 0.004 4.743 4.740 -0.001 0.000 0.204 1048 N C 0.035 175.565 175.510 0.034 0.000 1.124 1048 N CA 0.188 53.256 53.050 0.030 0.000 0.838 1048 N CB -0.258 38.243 38.487 0.024 0.000 0.994 1048 N HN 0.168 nan 8.380 nan 0.000 0.489 1049 E N 0.134 120.364 120.200 0.050 0.000 2.214 1049 E HA 0.404 4.753 4.350 -0.001 0.000 0.274 1049 E C -0.282 176.352 176.600 0.056 0.000 0.977 1049 E CA -0.557 55.878 56.400 0.059 0.000 0.827 1049 E CB 1.563 31.324 29.700 0.102 0.000 1.130 1049 E HN 0.406 nan 8.360 nan 0.000 0.394 1050 T N -2.640 111.945 114.554 0.052 0.000 2.812 1050 T HA 0.190 4.540 4.350 -0.001 0.000 0.294 1050 T C 0.856 175.593 174.700 0.061 0.000 1.159 1050 T CA -0.765 61.367 62.100 0.054 0.000 1.008 1050 T CB 0.849 69.747 68.868 0.050 0.000 1.289 1050 T HN 0.114 nan 8.240 nan 0.000 0.514 1051 V N 1.303 121.255 119.914 0.063 0.000 2.453 1051 V HA -0.160 3.960 4.120 -0.001 0.000 0.252 1051 V C 2.792 178.925 176.094 0.065 0.000 1.068 1051 V CA 2.700 65.041 62.300 0.068 0.000 1.070 1051 V CB -0.997 30.864 31.823 0.063 0.000 0.664 1051 V HN 0.983 nan 8.190 nan 0.000 0.461 1052 S N -0.241 115.494 115.700 0.058 0.000 2.362 1052 S HA -0.159 4.310 4.470 -0.001 0.000 0.221 1052 S C 2.185 176.817 174.600 0.053 0.000 1.032 1052 S CA 1.642 59.874 58.200 0.053 0.000 0.973 1052 S CB -0.410 62.813 63.200 0.037 0.000 0.849 1052 S HN 0.866 nan 8.310 nan 0.000 0.465 1053 T N 1.405 115.974 114.554 0.024 0.000 2.746 1053 T HA -0.057 4.293 4.350 -0.001 0.000 0.267 1053 T C 1.814 176.498 174.700 -0.026 0.000 1.039 1053 T CA 1.197 63.300 62.100 0.005 0.000 1.142 1053 T CB -0.567 68.284 68.868 -0.029 0.000 0.866 1053 T HN 0.245 nan 8.240 nan 0.000 0.444 1054 M N 1.075 120.651 119.600 -0.039 0.000 2.117 1054 M HA 0.082 4.562 4.480 -0.001 0.000 0.262 1054 M C 2.870 179.157 176.300 -0.021 0.000 1.065 1054 M CA 1.782 57.034 55.300 -0.080 0.000 1.114 1054 M CB -0.896 31.788 32.600 0.140 0.000 1.361 1054 M HN 0.534 nan 8.290 nan 0.000 0.408 1055 G N -0.034 108.794 108.800 0.046 0.000 2.422 1055 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.218 1055 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.218 1055 G C 1.329 176.259 174.900 0.050 0.000 1.146 1055 G CA 0.399 45.533 45.100 0.057 0.000 0.769 1055 G HN 0.415 nan 8.290 nan 0.000 0.547 1056 F N 1.911 121.818 119.950 -0.072 0.000 2.102 1056 F HA -0.065 4.461 4.527 -0.001 0.000 0.298 1056 F C 2.587 178.327 175.800 -0.100 0.000 1.105 1056 F CA 1.866 59.819 58.000 -0.078 0.000 1.239 1056 F CB -0.051 38.896 39.000 -0.087 0.000 0.991 1056 F HN 0.085 nan 8.300 nan 0.000 0.474 1057 E N 0.951 120.980 120.200 -0.285 0.000 2.038 1057 E HA -0.232 4.117 4.350 -0.001 0.000 0.195 1057 E C 2.484 178.937 176.600 -0.245 0.000 1.000 1057 E CA 1.406 57.571 56.400 -0.392 0.000 0.803 1057 E CB -1.209 28.174 29.700 -0.528 0.000 0.750 1057 E HN 0.502 nan 8.360 nan 0.000 0.448 1058 A N 1.588 124.343 122.820 -0.108 0.000 1.908 1058 A HA -0.122 4.197 4.320 -0.001 0.000 0.218 1058 A C 2.442 179.972 177.584 -0.090 0.000 1.181 1058 A CA 2.331 54.341 52.037 -0.045 0.000 0.627 1058 A CB -0.639 18.366 19.000 0.008 0.000 0.818 1058 A HN 0.280 nan 8.150 nan 0.000 0.445 1059 A N -1.143 121.605 122.820 -0.119 0.000 1.902 1059 A HA -0.082 4.238 4.320 -0.001 0.000 0.217 1059 A C 2.295 179.772 177.584 -0.178 0.000 1.181 1059 A CA 2.263 54.234 52.037 -0.110 0.000 0.623 1059 A CB -1.277 17.675 19.000 -0.079 0.000 0.818 1059 A HN 0.426 nan 8.150 nan 0.000 0.443 1060 T N -0.253 114.102 114.554 -0.332 0.000 2.720 1060 T HA -0.161 4.189 4.350 -0.001 0.000 0.268 1060 T C 2.056 176.642 174.700 -0.189 0.000 1.037 1060 T CA 1.754 63.652 62.100 -0.337 0.000 1.144 1060 T CB -0.235 68.307 68.868 -0.544 0.000 0.864 1060 T HN 0.544 nan 8.240 nan 0.000 0.444 1061 R N 0.785 121.193 120.500 -0.154 0.000 2.092 1061 R HA 0.111 4.450 4.340 -0.001 0.000 0.231 1061 R C 2.785 179.045 176.300 -0.068 0.000 1.119 1061 R CA 1.177 57.222 56.100 -0.091 0.000 0.970 1061 R CB -0.363 29.899 30.300 -0.065 0.000 0.864 1061 R HN 0.343 nan 8.270 nan 0.000 0.440 1062 A N 1.152 123.935 122.820 -0.061 0.000 1.897 1062 A HA -0.089 4.230 4.320 -0.001 0.000 0.215 1062 A C 2.130 179.690 177.584 -0.040 0.000 1.181 1062 A CA 1.011 53.029 52.037 -0.031 0.000 0.620 1062 A CB -0.410 18.587 19.000 -0.005 0.000 0.821 1062 A HN 0.158 nan 8.150 nan 0.000 0.443 1063 I N -0.331 120.200 120.570 -0.065 0.000 2.264 1063 I HA -0.269 3.900 4.170 -0.001 0.000 0.248 1063 I C 2.542 178.614 176.117 -0.076 0.000 1.111 1063 I CA 1.795 63.048 61.300 -0.079 0.000 1.382 1063 I CB -0.269 37.675 38.000 -0.093 0.000 1.060 1063 I HN 0.439 nan 8.210 nan 0.000 0.418 1064 E N 1.414 121.571 120.200 -0.071 0.000 2.038 1064 E HA -0.288 4.062 4.350 -0.001 0.000 0.195 1064 E C 2.230 178.803 176.600 -0.044 0.000 1.000 1064 E CA 1.807 58.172 56.400 -0.059 0.000 0.803 1064 E CB -0.334 29.330 29.700 -0.060 0.000 0.750 1064 E HN 0.363 nan 8.360 nan 0.000 0.448 1065 M N -0.528 119.050 119.600 -0.037 0.000 2.175 1065 M HA -0.088 4.391 4.480 -0.001 0.000 0.264 1065 M C 2.026 178.318 176.300 -0.014 0.000 1.063 1065 M CA 1.745 57.032 55.300 -0.021 0.000 1.119 1065 M CB -0.123 32.468 32.600 -0.015 0.000 1.377 1065 M HN 0.261 nan 8.290 nan 0.000 0.415 1066 A N -0.232 122.574 122.820 -0.024 0.000 2.015 1066 A HA 0.098 4.417 4.320 -0.001 0.000 0.219 1066 A C 1.786 179.340 177.584 -0.050 0.000 1.163 1066 A CA 1.352 53.373 52.037 -0.027 0.000 0.646 1066 A CB -1.145 17.820 19.000 -0.057 0.000 0.806 1066 A HN 0.778 nan 8.150 nan 0.000 0.448 1067 G N -0.732 108.032 108.800 -0.060 0.000 2.155 1067 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.257 1067 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.257 1067 G C 0.331 175.175 174.900 -0.094 0.000 0.983 1067 G CA 0.623 45.688 45.100 -0.059 0.000 0.676 1067 G HN 1.384 nan 8.290 nan 0.000 0.528 1068 I N -3.350 117.120 120.570 -0.167 0.000 2.934 1068 I HA 0.819 4.989 4.170 -0.001 0.000 0.315 1068 I C 0.060 176.068 176.117 -0.182 0.000 0.997 1068 I CA -1.309 59.837 61.300 -0.257 0.000 1.184 1068 I CB 0.915 38.559 38.000 -0.593 0.000 1.400 1068 I HN -0.152 nan 8.210 nan 0.000 0.549 1069 E N 2.247 122.350 120.200 -0.162 0.000 2.259 1069 E HA 0.087 4.436 4.350 -0.001 0.000 0.281 1069 E C 0.478 177.021 176.600 -0.095 0.000 1.027 1069 E CA -0.333 56.011 56.400 -0.092 0.000 0.838 1069 E CB 1.713 31.384 29.700 -0.049 0.000 1.066 1069 E HN 0.678 nan 8.360 nan 0.000 0.401 1070 K N 2.040 122.404 120.400 -0.061 0.000 2.218 1070 K HA -0.211 4.109 4.320 -0.001 0.000 0.205 1070 K C 0.754 177.344 176.600 -0.017 0.000 1.046 1070 K CA 1.247 57.510 56.287 -0.040 0.000 0.933 1070 K CB 0.172 32.665 32.500 -0.011 0.000 0.728 1070 K HN 0.179 nan 8.250 nan 0.000 0.454 1071 D N 1.605 121.999 120.400 -0.010 0.000 2.265 1071 D HA -0.118 4.522 4.640 -0.001 0.000 0.208 1071 D C 1.574 177.889 176.300 0.026 0.000 0.977 1071 D CA 1.010 55.015 54.000 0.009 0.000 0.871 1071 D CB 0.061 40.867 40.800 0.009 0.000 0.925 1071 D HN 0.461 nan 8.370 nan 0.000 0.485 1072 Q N -0.407 119.406 119.800 0.022 0.000 2.451 1072 Q HA 0.124 4.464 4.340 -0.001 0.000 0.206 1072 Q C 0.483 176.577 176.000 0.156 0.000 0.947 1072 Q CA -0.060 55.802 55.803 0.097 0.000 0.937 1072 Q CB 0.808 29.596 28.738 0.083 0.000 1.025 1072 Q HN 0.319 nan 8.270 nan 0.000 0.511 1073 I N 0.778 121.393 120.570 0.075 0.000 2.533 1073 I HA -0.013 4.157 4.170 -0.001 0.000 0.284 1073 I C 1.124 177.288 176.117 0.079 0.000 1.109 1073 I CA 0.192 61.546 61.300 0.091 0.000 1.412 1073 I CB 0.996 39.018 38.000 0.037 0.000 1.396 1073 I HN 0.128 nan 8.210 nan 0.000 0.543 1074 G N 6.776 115.627 108.800 0.084 0.000 3.192 1074 G HA2 0.368 4.327 3.960 -0.001 0.000 0.239 1074 G HA3 0.368 4.327 3.960 -0.001 0.000 0.239 1074 G C -0.286 174.608 174.900 -0.009 0.000 1.084 1074 G CA 0.140 45.262 45.100 0.037 0.000 0.784 1074 G HN 0.409 nan 8.290 nan 0.000 0.540 1075 L N 0.254 121.469 121.223 -0.013 0.000 2.611 1075 L HA 0.590 4.929 4.340 -0.001 0.000 0.260 1075 L C -1.955 174.874 176.870 -0.068 0.000 0.924 1075 L CA -0.709 54.090 54.840 -0.068 0.000 0.901 1075 L CB 1.780 43.762 42.059 -0.128 0.000 1.369 1075 L HN -0.032 nan 8.230 nan 0.000 0.415 1076 I N 5.426 125.934 120.570 -0.102 0.000 2.418 1076 I HA 0.617 4.786 4.170 -0.001 0.000 0.287 1076 I C -1.001 174.943 176.117 -0.287 0.000 1.008 1076 I CA -0.918 60.309 61.300 -0.122 0.000 1.104 1076 I CB 2.023 39.988 38.000 -0.058 0.000 1.264 1076 I HN 0.303 nan 8.210 nan 0.000 0.438 1077 V N 7.079 126.803 119.914 -0.316 0.000 2.483 1077 V HA 0.418 4.538 4.120 -0.001 0.000 0.297 1077 V C -0.240 175.705 176.094 -0.248 0.000 1.027 1077 V CA -0.698 61.291 62.300 -0.519 0.000 0.855 1077 V CB 2.200 33.704 31.823 -0.531 0.000 0.995 1077 V HN 0.383 nan 8.190 nan 0.000 0.424 1078 V N 3.942 123.736 119.914 -0.199 0.000 2.384 1078 V HA 0.705 4.824 4.120 -0.001 0.000 0.287 1078 V C 0.487 176.575 176.094 -0.011 0.000 1.020 1078 V CA -0.581 61.690 62.300 -0.048 0.000 0.850 1078 V CB 1.752 33.573 31.823 -0.004 0.000 0.987 1078 V HN 0.971 nan 8.190 nan 0.000 0.436 1079 A N 3.772 126.623 122.820 0.051 0.000 2.269 1079 A HA 0.750 5.069 4.320 -0.001 0.000 0.302 1079 A C 0.113 177.747 177.584 0.083 0.000 1.266 1079 A CA -0.114 51.967 52.037 0.074 0.000 0.894 1079 A CB 0.699 19.778 19.000 0.132 0.000 1.147 1079 A HN 0.844 nan 8.150 nan 0.000 0.537 1080 T N 0.404 114.992 114.554 0.057 0.000 2.885 1080 T HA 0.555 4.905 4.350 -0.001 0.000 0.322 1080 T C 0.103 174.823 174.700 0.034 0.000 1.387 1080 T CA 0.311 62.443 62.100 0.053 0.000 1.041 1080 T CB 1.282 70.184 68.868 0.057 0.000 1.287 1080 T HN 1.017 nan 8.240 nan 0.000 0.491 1081 T N -0.504 114.064 114.554 0.024 0.000 3.332 1081 T HA 0.309 4.659 4.350 -0.001 0.000 0.304 1081 T C 0.606 175.307 174.700 0.002 0.000 0.971 1081 T CA 0.258 62.363 62.100 0.008 0.000 0.954 1081 T CB -0.274 68.589 68.868 -0.008 0.000 1.175 1081 T HN 0.710 nan 8.240 nan 0.000 0.519 1082 S N -0.053 115.656 115.700 0.013 0.000 3.025 1082 S HA 0.705 5.175 4.470 -0.001 0.000 0.251 1082 S C 0.580 175.189 174.600 0.016 0.000 0.954 1082 S CA -0.350 57.854 58.200 0.006 0.000 1.092 1082 S CB -0.017 63.186 63.200 0.005 0.000 1.079 1082 S HN 0.683 nan 8.310 nan 0.000 0.543 1083 A N 1.875 124.711 122.820 0.027 0.000 2.386 1083 A HA 0.544 4.863 4.320 -0.001 0.000 0.246 1083 A C 1.670 179.265 177.584 0.018 0.000 1.089 1083 A CA 0.277 52.340 52.037 0.043 0.000 0.790 1083 A CB -0.039 19.002 19.000 0.067 0.000 1.042 1083 A HN 0.690 nan 8.150 nan 0.000 0.497 1084 T N -1.076 113.504 114.554 0.043 0.000 2.904 1084 T HA 0.020 4.370 4.350 -0.001 0.000 0.267 1084 T C 0.486 175.022 174.700 -0.273 0.000 1.059 1084 T CA 1.668 63.723 62.100 -0.075 0.000 1.137 1084 T CB -0.437 68.437 68.868 0.009 0.000 0.879 1084 T HN 0.718 nan 8.240 nan 0.000 0.467 1085 H N -1.011 118.041 119.070 -0.030 0.000 2.637 1085 H HA 0.775 5.330 4.556 -0.001 0.000 0.363 1085 H C 0.981 176.278 175.328 -0.051 0.000 1.131 1085 H CA -0.329 55.679 56.048 -0.065 0.000 1.183 1085 H CB 1.690 31.414 29.762 -0.064 0.000 1.637 1085 H HN 0.086 nan 8.280 nan 0.000 0.531 1086 A N 2.669 125.482 122.820 -0.012 0.000 1.877 1086 A HA 0.038 4.357 4.320 -0.001 0.000 0.216 1086 A C 0.155 177.828 177.584 0.148 0.000 1.186 1086 A CA 1.457 53.499 52.037 0.008 0.000 0.620 1086 A CB -0.491 18.451 19.000 -0.097 0.000 0.822 1086 A HN 0.571 nan 8.150 nan 0.000 0.443 1087 F N -2.693 117.317 119.950 0.100 0.000 2.608 1087 F HA 0.663 5.189 4.527 -0.001 0.000 0.309 1087 F C -3.038 172.788 175.800 0.044 0.000 1.103 1087 F CA -2.911 55.127 58.000 0.064 0.000 0.954 1087 F CB 0.763 39.785 39.000 0.038 0.000 1.267 1087 F HN -0.148 nan 8.300 nan 0.000 0.444 1088 P HA 0.126 nan 4.420 nan 0.000 0.268 1088 P C -0.199 177.181 177.300 0.134 0.000 1.205 1088 P CA -0.116 63.074 63.100 0.149 0.000 0.771 1088 P CB 1.417 33.128 31.700 0.017 0.000 0.858 1089 S N 1.501 117.289 115.700 0.147 0.000 2.587 1089 S HA 0.205 4.675 4.470 -0.001 0.000 0.260 1089 S C 1.558 176.211 174.600 0.087 0.000 1.353 1089 S CA -0.050 58.228 58.200 0.129 0.000 0.995 1089 S CB 0.255 63.536 63.200 0.134 0.000 0.912 1089 S HN 0.584 nan 8.310 nan 0.000 0.568 1090 A N 1.415 124.284 122.820 0.082 0.000 1.933 1090 A HA 0.175 4.495 4.320 -0.001 0.000 0.218 1090 A C 2.396 180.008 177.584 0.047 0.000 1.175 1090 A CA 1.641 53.717 52.037 0.064 0.000 0.628 1090 A CB -1.653 17.385 19.000 0.064 0.000 0.814 1090 A HN 1.312 nan 8.150 nan 0.000 0.444 1091 A N -0.948 121.896 122.820 0.041 0.000 1.902 1091 A HA -0.190 4.130 4.320 -0.001 0.000 0.217 1091 A C 2.309 179.910 177.584 0.028 0.000 1.181 1091 A CA 1.721 53.769 52.037 0.018 0.000 0.623 1091 A CB -1.269 17.723 19.000 -0.013 0.000 0.818 1091 A HN 0.586 nan 8.150 nan 0.000 0.443 1092 C N -0.941 118.383 119.300 0.040 0.000 2.446 1092 C HA -0.110 4.349 4.460 -0.001 0.000 0.277 1092 C C 2.926 177.921 174.990 0.009 0.000 1.275 1092 C CA 1.183 60.218 59.018 0.029 0.000 1.727 1092 C CB -1.370 26.392 27.740 0.037 0.000 2.010 1092 C HN 0.676 nan 8.230 nan 0.000 0.486 1093 Q N 0.213 120.015 119.800 0.005 0.000 2.124 1093 Q HA -0.102 4.238 4.340 -0.001 0.000 0.202 1093 Q C 2.078 178.066 176.000 -0.020 0.000 0.977 1093 Q CA 1.350 57.140 55.803 -0.022 0.000 0.850 1093 Q CB -0.165 28.561 28.738 -0.020 0.000 0.901 1093 Q HN 0.689 nan 8.270 nan 0.000 0.429 1094 I N 0.508 121.089 120.570 0.020 0.000 2.315 1094 I HA -0.271 3.898 4.170 -0.001 0.000 0.248 1094 I C 2.648 178.804 176.117 0.066 0.000 1.117 1094 I CA 0.983 62.321 61.300 0.063 0.000 1.404 1094 I CB -0.315 37.741 38.000 0.094 0.000 1.071 1094 I HN 0.329 nan 8.210 nan 0.000 0.419 1095 Q N 0.540 120.363 119.800 0.037 0.000 2.061 1095 Q HA -0.257 4.082 4.340 -0.001 0.000 0.204 1095 Q C 2.357 178.366 176.000 0.014 0.000 0.984 1095 Q CA 2.312 58.135 55.803 0.032 0.000 0.846 1095 Q CB -0.065 28.684 28.738 0.019 0.000 0.902 1095 Q HN 0.360 nan 8.270 nan 0.000 0.421 1096 S N -0.359 115.332 115.700 -0.015 0.000 2.368 1096 S HA -0.132 4.338 4.470 -0.001 0.000 0.225 1096 S C 1.943 176.495 174.600 -0.079 0.000 1.030 1096 S CA 1.366 59.541 58.200 -0.042 0.000 0.999 1096 S CB -0.141 63.026 63.200 -0.056 0.000 0.844 1096 S HN 0.426 nan 8.310 nan 0.000 0.459 1097 M N 0.446 119.966 119.600 -0.134 0.000 2.213 1097 M HA -0.011 4.468 4.480 -0.001 0.000 0.263 1097 M C 1.711 177.910 176.300 -0.168 0.000 1.062 1097 M CA 1.184 56.279 55.300 -0.343 0.000 1.105 1097 M CB -0.328 31.877 32.600 -0.659 0.000 1.385 1097 M HN 0.299 nan 8.290 nan 0.000 0.417 1098 L N -0.525 120.760 121.223 0.104 0.000 2.554 1098 L HA 0.100 4.440 4.340 -0.001 0.000 0.226 1098 L C 1.220 178.152 176.870 0.102 0.000 1.137 1098 L CA 0.209 55.189 54.840 0.233 0.000 0.863 1098 L CB -0.489 41.682 42.059 0.186 0.000 0.985 1098 L HN 0.594 nan 8.230 nan 0.000 0.451 1099 G N 1.538 110.359 108.800 0.036 0.000 2.198 1099 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.257 1099 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.257 1099 G C 0.166 175.077 174.900 0.019 0.000 1.042 1099 G CA 0.560 45.670 45.100 0.017 0.000 0.791 1099 G HN 0.471 nan 8.290 nan 0.000 0.502 1100 I N -3.490 117.093 120.570 0.021 0.000 2.740 1100 I HA 0.924 5.093 4.170 -0.001 0.000 0.303 1100 I C -0.338 175.785 176.117 0.011 0.000 1.044 1100 I CA -1.535 59.776 61.300 0.018 0.000 1.064 1100 I CB 2.122 40.136 38.000 0.023 0.000 1.249 1100 I HN -0.030 nan 8.210 nan 0.000 0.433 1101 K N 2.885 123.291 120.400 0.009 0.000 2.464 1101 K HA 0.723 5.042 4.320 -0.001 0.000 0.253 1101 K C 0.110 176.714 176.600 0.007 0.000 0.933 1101 K CA -0.374 55.916 56.287 0.006 0.000 0.801 1101 K CB 2.189 34.691 32.500 0.002 0.000 1.271 1101 K HN 1.042 nan 8.250 nan 0.000 0.430 1102 G N 0.776 109.579 108.800 0.005 0.000 2.493 1102 G HA2 -0.286 3.674 3.960 -0.001 0.000 0.206 1102 G HA3 -0.286 3.674 3.960 -0.001 0.000 0.206 1102 G C 0.387 175.290 174.900 0.005 0.000 1.109 1102 G CA -0.238 44.865 45.100 0.005 0.000 0.689 1102 G HN 0.928 nan 8.290 nan 0.000 0.516 1103 C N 3.450 122.754 119.300 0.008 0.000 2.679 1103 C HA 0.629 5.089 4.460 -0.001 0.000 0.417 1103 C C -0.958 174.036 174.990 0.007 0.000 1.302 1103 C CA -1.269 57.751 59.018 0.004 0.000 1.973 1103 C CB 0.735 28.479 27.740 0.007 0.000 2.715 1103 C HN 0.602 nan 8.230 nan 0.000 0.628 1104 P HA 0.373 nan 4.420 nan 0.000 0.269 1104 P C -0.539 176.804 177.300 0.072 0.000 1.209 1104 P CA 0.643 63.767 63.100 0.039 0.000 0.776 1104 P CB 0.732 32.438 31.700 0.011 0.000 0.876 1105 A N 3.212 126.116 122.820 0.140 0.000 2.437 1105 A HA 0.766 5.086 4.320 -0.001 0.000 0.293 1105 A C -1.022 176.707 177.584 0.242 0.000 1.038 1105 A CA -0.499 51.597 52.037 0.099 0.000 0.708 1105 A CB 0.773 19.802 19.000 0.048 0.000 1.251 1105 A HN 0.524 nan 8.150 nan 0.000 0.409 1106 F N -0.333 119.613 119.950 -0.007 0.000 2.741 1106 F HA 0.786 5.312 4.527 -0.001 0.000 0.311 1106 F C -1.507 174.308 175.800 0.026 0.000 1.149 1106 F CA -1.145 56.861 58.000 0.010 0.000 0.930 1106 F CB 0.771 39.773 39.000 0.003 0.000 1.312 1106 F HN 0.318 nan 8.300 nan 0.000 0.450 1107 D N 1.085 121.612 120.400 0.213 0.000 2.228 1107 D HA 0.648 5.287 4.640 -0.001 0.000 0.247 1107 D C -1.033 175.381 176.300 0.189 0.000 0.995 1107 D CA -0.394 53.667 54.000 0.103 0.000 0.903 1107 D CB 2.515 43.376 40.800 0.102 0.000 1.205 1107 D HN 0.509 nan 8.370 nan 0.000 0.459 1108 V N 0.767 120.741 119.914 0.101 0.000 2.540 1108 V HA 0.665 4.785 4.120 -0.001 0.000 0.302 1108 V C -0.533 175.592 176.094 0.051 0.000 1.035 1108 V CA -0.794 61.579 62.300 0.121 0.000 0.873 1108 V CB 1.751 33.642 31.823 0.115 0.000 0.992 1108 V HN 0.708 nan 8.190 nan 0.000 0.428 1109 A N 4.114 126.946 122.820 0.021 0.000 2.256 1109 A HA 0.826 5.145 4.320 -0.001 0.000 0.317 1109 A C 0.309 177.809 177.584 -0.141 0.000 1.318 1109 A CA 0.164 52.182 52.037 -0.033 0.000 0.894 1109 A CB 0.935 19.929 19.000 -0.011 0.000 1.165 1109 A HN 1.480 nan 8.150 nan 0.000 0.525 1110 A N 2.411 125.118 122.820 -0.189 0.000 2.709 1110 A HA 0.678 4.997 4.320 -0.001 0.000 0.241 1110 A C 0.873 178.334 177.584 -0.204 0.000 0.879 1110 A CA 0.882 52.704 52.037 -0.359 0.000 1.120 1110 A CB -1.099 17.396 19.000 -0.841 0.000 1.226 1110 A HN 2.729 nan 8.150 nan 0.000 0.468 1111 A N -0.988 121.766 122.820 -0.110 0.000 5.568 1111 A HA -0.373 3.946 4.320 -0.001 0.000 0.322 1111 A C 1.781 179.323 177.584 -0.071 0.000 1.802 1111 A CA 1.466 53.463 52.037 -0.066 0.000 0.727 1111 A CB -1.935 17.033 19.000 -0.054 0.000 1.362 1111 A HN 1.437 nan 8.150 nan 0.000 0.396 1112 C N -0.183 119.055 119.300 -0.103 0.000 2.422 1112 C HA 0.242 4.701 4.460 -0.001 0.000 0.286 1112 C C 2.845 177.684 174.990 -0.253 0.000 1.412 1112 C CA 1.315 60.179 59.018 -0.255 0.000 1.786 1112 C CB -1.895 25.584 27.740 -0.436 0.000 1.835 1112 C HN 1.270 nan 8.230 nan 0.000 0.533 1113 A N 0.394 123.149 122.820 -0.108 0.000 2.275 1113 A HA 0.388 4.708 4.320 -0.001 0.000 0.212 1113 A C 2.180 179.839 177.584 0.125 0.000 1.201 1113 A CA 0.930 52.995 52.037 0.047 0.000 0.843 1113 A CB -0.601 18.460 19.000 0.102 0.000 0.873 1113 A HN 0.494 nan 8.150 nan 0.000 0.492 1114 G N -0.025 108.801 108.800 0.044 0.000 2.513 1114 G HA2 -0.330 3.630 3.960 -0.001 0.000 0.219 1114 G HA3 -0.330 3.630 3.960 -0.001 0.000 0.219 1114 G C 1.351 176.356 174.900 0.176 0.000 1.160 1114 G CA 1.405 46.551 45.100 0.077 0.000 0.767 1114 G HN 0.504 nan 8.290 nan 0.000 0.571 1115 F N 2.611 122.613 119.950 0.086 0.000 2.126 1115 F HA -0.156 4.371 4.527 -0.001 0.000 0.299 1115 F C 3.113 178.987 175.800 0.123 0.000 1.096 1115 F CA 2.341 60.398 58.000 0.095 0.000 1.255 1115 F CB -0.612 38.443 39.000 0.092 0.000 0.997 1115 F HN 0.263 nan 8.300 nan 0.000 0.479 1116 T N -2.254 112.416 114.554 0.193 0.000 2.746 1116 T HA -0.271 4.079 4.350 -0.001 0.000 0.267 1116 T C 1.875 176.580 174.700 0.007 0.000 1.039 1116 T CA 1.681 63.839 62.100 0.098 0.000 1.142 1116 T CB -1.216 67.768 68.868 0.194 0.000 0.866 1116 T HN 0.338 nan 8.240 nan 0.000 0.444 1117 Y N 2.127 122.392 120.300 -0.058 0.000 2.133 1117 Y HA 0.197 4.746 4.550 -0.001 0.000 0.287 1117 Y C 3.146 178.984 175.900 -0.102 0.000 1.134 1117 Y CA 0.722 58.783 58.100 -0.065 0.000 1.133 1117 Y CB -1.091 37.351 38.460 -0.031 0.000 0.987 1117 Y HN 0.323 nan 8.280 nan 0.000 0.502 1118 A N -0.354 122.473 122.820 0.013 0.000 1.908 1118 A HA -0.217 4.103 4.320 -0.001 0.000 0.218 1118 A C 2.217 179.664 177.584 -0.229 0.000 1.181 1118 A CA 1.841 53.808 52.037 -0.117 0.000 0.627 1118 A CB -1.165 17.735 19.000 -0.166 0.000 0.818 1118 A HN 0.442 nan 8.150 nan 0.000 0.445 1119 L N -0.250 120.726 121.223 -0.413 0.000 2.046 1119 L HA -0.105 4.235 4.340 -0.001 0.000 0.208 1119 L C 2.655 179.419 176.870 -0.176 0.000 1.077 1119 L CA 2.539 57.153 54.840 -0.376 0.000 0.747 1119 L CB -0.677 41.097 42.059 -0.475 0.000 0.896 1119 L HN 0.371 nan 8.230 nan 0.000 0.432 1120 S N -1.479 114.126 115.700 -0.158 0.000 2.368 1120 S HA -0.159 4.311 4.470 -0.001 0.000 0.225 1120 S C 1.995 176.547 174.600 -0.081 0.000 1.030 1120 S CA 1.524 59.642 58.200 -0.136 0.000 0.999 1120 S CB -0.427 62.651 63.200 -0.204 0.000 0.844 1120 S HN 0.300 nan 8.310 nan 0.000 0.459 1121 V N 2.110 122.009 119.914 -0.027 0.000 2.287 1121 V HA -0.155 3.964 4.120 -0.001 0.000 0.248 1121 V C 2.915 179.114 176.094 0.174 0.000 1.053 1121 V CA 1.898 64.251 62.300 0.089 0.000 1.027 1121 V CB -1.369 30.574 31.823 0.200 0.000 0.646 1121 V HN 0.634 nan 8.190 nan 0.000 0.447 1122 A N -0.045 122.839 122.820 0.106 0.000 1.902 1122 A HA -0.284 4.035 4.320 -0.001 0.000 0.217 1122 A C 2.048 179.698 177.584 0.111 0.000 1.181 1122 A CA 2.020 54.139 52.037 0.137 0.000 0.623 1122 A CB -0.737 18.270 19.000 0.010 0.000 0.818 1122 A HN 0.599 nan 8.150 nan 0.000 0.443 1123 D N -0.707 119.706 120.400 0.022 0.000 2.158 1123 D HA -0.194 4.445 4.640 -0.001 0.000 0.197 1123 D C 2.017 178.300 176.300 -0.028 0.000 0.995 1123 D CA 1.602 55.597 54.000 -0.009 0.000 0.846 1123 D CB -0.085 40.688 40.800 -0.045 0.000 0.941 1123 D HN 0.363 nan 8.370 nan 0.000 0.456 1124 Q N -0.781 118.984 119.800 -0.058 0.000 2.084 1124 Q HA -0.172 4.167 4.340 -0.001 0.000 0.202 1124 Q C 2.238 178.131 176.000 -0.179 0.000 0.978 1124 Q CA 1.143 56.848 55.803 -0.163 0.000 0.844 1124 Q CB -0.676 27.903 28.738 -0.266 0.000 0.898 1124 Q HN 0.554 nan 8.270 nan 0.000 0.426 1125 Y N -0.042 120.241 120.300 -0.027 0.000 2.242 1125 Y HA -0.142 4.408 4.550 -0.001 0.000 0.291 1125 Y C 2.471 178.350 175.900 -0.035 0.000 1.137 1125 Y CA 0.793 58.881 58.100 -0.019 0.000 1.181 1125 Y CB -0.219 38.248 38.460 0.013 0.000 0.989 1125 Y HN -0.133 nan 8.280 nan 0.000 0.527 1126 V N -0.243 119.736 119.914 0.108 0.000 2.346 1126 V HA -0.228 3.891 4.120 -0.001 0.000 0.244 1126 V C 2.229 178.309 176.094 -0.025 0.000 1.037 1126 V CA 1.508 63.827 62.300 0.031 0.000 1.029 1126 V CB -0.498 31.340 31.823 0.024 0.000 0.663 1126 V HN 0.256 nan 8.190 nan 0.000 0.454 1127 K N 0.975 121.344 120.400 -0.052 0.000 2.059 1127 K HA -0.224 4.095 4.320 -0.001 0.000 0.212 1127 K C 2.198 178.720 176.600 -0.130 0.000 1.050 1127 K CA 2.064 58.279 56.287 -0.119 0.000 0.927 1127 K CB -0.348 32.060 32.500 -0.152 0.000 0.714 1127 K HN 0.633 nan 8.250 nan 0.000 0.447 1128 S N -1.109 114.529 115.700 -0.105 0.000 2.607 1128 S HA 0.072 4.542 4.470 -0.001 0.000 0.224 1128 S C 1.282 175.845 174.600 -0.062 0.000 0.969 1128 S CA 0.641 58.783 58.200 -0.096 0.000 0.927 1128 S CB 0.344 63.481 63.200 -0.105 0.000 0.772 1128 S HN 0.514 nan 8.310 nan 0.000 0.533 1129 G N 0.583 109.354 108.800 -0.048 0.000 2.179 1129 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.260 1129 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.260 1129 G C 1.019 175.912 174.900 -0.011 0.000 0.977 1129 G CA 0.165 45.243 45.100 -0.038 0.000 0.641 1129 G HN 1.196 nan 8.290 nan 0.000 0.533 1130 A N -1.003 121.830 122.820 0.021 0.000 1.969 1130 A HA 0.527 4.847 4.320 -0.001 0.000 0.218 1130 A C 1.160 178.782 177.584 0.062 0.000 1.169 1130 A CA 1.951 54.026 52.037 0.064 0.000 0.635 1130 A CB 0.227 19.314 19.000 0.145 0.000 0.810 1130 A HN 1.173 nan 8.150 nan 0.000 0.445 1131 V N -0.566 119.382 119.914 0.057 0.000 2.638 1131 V HA 0.228 4.348 4.120 -0.001 0.000 0.306 1131 V C 0.871 176.944 176.094 -0.036 0.000 1.052 1131 V CA -0.622 61.694 62.300 0.026 0.000 0.885 1131 V CB 1.815 33.671 31.823 0.055 0.000 0.999 1131 V HN 0.500 nan 8.190 nan 0.000 0.424 1132 K N 3.267 123.610 120.400 -0.094 0.000 2.044 1132 K HA 0.109 4.429 4.320 -0.001 0.000 0.204 1132 K C -0.506 175.836 176.600 -0.430 0.000 1.049 1132 K CA 1.184 57.295 56.287 -0.292 0.000 0.945 1132 K CB 0.204 32.492 32.500 -0.353 0.000 0.724 1132 K HN 0.650 nan 8.250 nan 0.000 0.440 1133 Y N -0.569 119.741 120.300 0.018 0.000 2.406 1133 Y HA 0.517 5.067 4.550 -0.001 0.000 0.340 1133 Y C -0.664 175.240 175.900 0.007 0.000 0.975 1133 Y CA -1.307 56.802 58.100 0.016 0.000 1.056 1133 Y CB 2.293 40.761 38.460 0.013 0.000 1.210 1133 Y HN -0.033 nan 8.280 nan 0.000 0.448 1134 A N 3.087 126.007 122.820 0.166 0.000 2.374 1134 A HA 0.797 5.116 4.320 -0.001 0.000 0.317 1134 A C -2.039 175.586 177.584 0.069 0.000 1.094 1134 A CA -0.704 51.380 52.037 0.078 0.000 0.765 1134 A CB 1.505 20.531 19.000 0.043 0.000 1.268 1134 A HN 0.672 nan 8.150 nan 0.000 0.438 1135 L N 2.649 123.888 121.223 0.028 0.000 2.305 1135 L HA 0.724 5.064 4.340 -0.001 0.000 0.284 1135 L C -1.174 175.700 176.870 0.007 0.000 1.013 1135 L CA -0.251 54.606 54.840 0.028 0.000 0.819 1135 L CB 1.649 43.718 42.059 0.016 0.000 1.227 1135 L HN 0.398 nan 8.230 nan 0.000 0.417 1136 V N 5.885 125.830 119.914 0.051 0.000 2.448 1136 V HA 0.612 4.731 4.120 -0.001 0.000 0.295 1136 V C -0.329 175.892 176.094 0.210 0.000 1.025 1136 V CA -0.643 61.688 62.300 0.051 0.000 0.859 1136 V CB 1.703 33.502 31.823 -0.040 0.000 0.988 1136 V HN 0.566 nan 8.190 nan 0.000 0.431 1137 V N 3.023 123.040 119.914 0.171 0.000 2.628 1137 V HA 0.853 4.973 4.120 -0.001 0.000 0.306 1137 V C 0.532 176.803 176.094 0.296 0.000 1.045 1137 V CA -0.378 62.050 62.300 0.213 0.000 0.905 1137 V CB 2.204 34.088 31.823 0.102 0.000 0.997 1137 V HN 0.972 nan 8.190 nan 0.000 0.436 1138 G N 1.403 110.370 108.800 0.278 0.000 2.574 1138 G HA2 0.582 4.542 3.960 -0.001 0.000 0.306 1138 G HA3 0.582 4.542 3.960 -0.001 0.000 0.306 1138 G C -0.829 174.141 174.900 0.116 0.000 1.334 1138 G CA -0.343 44.910 45.100 0.255 0.000 0.954 1138 G HN 0.704 nan 8.290 nan 0.000 0.500 1139 S N 1.842 117.608 115.700 0.109 0.000 2.572 1139 S HA 0.674 5.144 4.470 -0.001 0.000 0.274 1139 S C -1.974 172.677 174.600 0.085 0.000 1.150 1139 S CA -0.764 57.489 58.200 0.088 0.000 0.944 1139 S CB 1.948 65.198 63.200 0.083 0.000 1.071 1139 S HN 0.497 nan 8.310 nan 0.000 0.479 1140 D N 1.850 122.302 120.400 0.086 0.000 2.736 1140 D HA 0.312 4.952 4.640 -0.001 0.000 0.223 1140 D C -0.370 175.979 176.300 0.082 0.000 1.231 1140 D CA -0.302 53.745 54.000 0.078 0.000 0.818 1140 D CB 2.196 43.047 40.800 0.085 0.000 1.587 1140 D HN 0.525 nan 8.370 nan 0.000 0.463 1141 V N 0.613 120.565 119.914 0.063 0.000 2.802 1141 V HA 0.268 4.388 4.120 -0.001 0.000 0.350 1141 V C 1.590 177.711 176.094 0.045 0.000 1.233 1141 V CA -0.389 61.951 62.300 0.066 0.000 1.337 1141 V CB -0.323 31.535 31.823 0.058 0.000 1.497 1141 V HN 0.500 nan 8.190 nan 0.000 0.616 1142 L N 0.769 122.016 121.223 0.040 0.000 2.187 1142 L HA -0.113 4.226 4.340 -0.001 0.000 0.213 1142 L C 2.843 179.698 176.870 -0.024 0.000 1.100 1142 L CA 1.827 56.630 54.840 -0.061 0.000 0.765 1142 L CB -0.685 41.268 42.059 -0.176 0.000 0.904 1142 L HN 0.630 nan 8.230 nan 0.000 0.437 1143 A N 0.361 123.245 122.820 0.107 0.000 1.933 1143 A HA -0.243 4.077 4.320 -0.001 0.000 0.218 1143 A C 2.453 180.081 177.584 0.074 0.000 1.175 1143 A CA 1.619 53.737 52.037 0.135 0.000 0.628 1143 A CB -0.538 18.547 19.000 0.141 0.000 0.814 1143 A HN 0.361 nan 8.150 nan 0.000 0.444 1144 R N -0.095 120.440 120.500 0.058 0.000 2.148 1144 R HA -0.112 4.228 4.340 -0.001 0.000 0.227 1144 R C 1.971 178.304 176.300 0.056 0.000 1.103 1144 R CA 1.874 58.005 56.100 0.052 0.000 0.983 1144 R CB -0.382 29.945 30.300 0.044 0.000 0.874 1144 R HN 0.645 nan 8.270 nan 0.000 0.451 1145 T N -2.675 111.896 114.554 0.027 0.000 3.113 1145 T HA 0.114 4.464 4.350 -0.001 0.000 0.256 1145 T C 0.880 175.641 174.700 0.101 0.000 1.131 1145 T CA -0.165 61.960 62.100 0.041 0.000 1.074 1145 T CB -0.382 68.461 68.868 -0.043 0.000 0.944 1145 T HN 0.095 nan 8.240 nan 0.000 0.516 1146 C N 2.967 122.289 119.300 0.036 0.000 2.539 1146 C HA 0.450 4.909 4.460 -0.001 0.000 0.392 1146 C C 0.693 175.570 174.990 -0.189 0.000 1.269 1146 C CA -1.001 58.012 59.018 -0.008 0.000 2.250 1146 C CB 0.366 28.129 27.740 0.039 0.000 2.584 1146 C HN 0.534 nan 8.230 nan 0.000 0.589 1147 D N 3.671 123.796 120.400 -0.458 0.000 2.358 1147 D HA 0.095 4.735 4.640 -0.001 0.000 0.258 1147 D C -1.034 175.085 176.300 -0.300 0.000 1.223 1147 D CA -1.761 51.715 54.000 -0.874 0.000 0.886 1147 D CB 0.974 41.396 40.800 -0.631 0.000 1.120 1147 D HN 0.322 nan 8.370 nan 0.000 0.482 1148 P HA -0.100 nan 4.420 nan 0.000 0.228 1148 P C 0.805 178.073 177.300 -0.054 0.000 1.151 1148 P CA 0.902 63.957 63.100 -0.075 0.000 0.770 1148 P CB 0.005 31.680 31.700 -0.041 0.000 0.786 1149 T N -4.795 109.713 114.554 -0.077 0.000 3.069 1149 T HA 0.113 4.463 4.350 -0.001 0.000 0.252 1149 T C 0.261 174.942 174.700 -0.032 0.000 1.053 1149 T CA -0.236 61.839 62.100 -0.043 0.000 0.964 1149 T CB -0.598 68.249 68.868 -0.035 0.000 1.005 1149 T HN -0.110 nan 8.240 nan 0.000 0.532 1150 D N 1.792 122.171 120.400 -0.036 0.000 2.428 1150 D HA 0.239 4.879 4.640 -0.001 0.000 0.221 1150 D C 1.540 177.865 176.300 0.042 0.000 1.123 1150 D CA -0.780 53.222 54.000 0.003 0.000 0.869 1150 D CB 0.931 41.734 40.800 0.005 0.000 1.032 1150 D HN 0.247 nan 8.370 nan 0.000 0.506 1151 R N 2.831 123.357 120.500 0.043 0.000 2.120 1151 R HA -0.093 4.247 4.340 -0.001 0.000 0.234 1151 R C 1.660 178.054 176.300 0.157 0.000 1.123 1151 R CA 1.604 57.752 56.100 0.079 0.000 0.975 1151 R CB -0.460 29.852 30.300 0.020 0.000 0.866 1151 R HN 0.462 nan 8.270 nan 0.000 0.446 1152 G N 0.145 109.039 108.800 0.156 0.000 2.422 1152 G HA2 -0.303 3.657 3.960 -0.001 0.000 0.218 1152 G HA3 -0.303 3.657 3.960 -0.001 0.000 0.218 1152 G C 1.481 176.487 174.900 0.176 0.000 1.146 1152 G CA 1.342 46.553 45.100 0.185 0.000 0.769 1152 G HN 0.593 nan 8.290 nan 0.000 0.547 1153 T N -1.550 113.116 114.554 0.185 0.000 3.042 1153 T HA 0.143 4.492 4.350 -0.001 0.000 0.245 1153 T C 2.271 177.145 174.700 0.291 0.000 1.029 1153 T CA 0.493 62.763 62.100 0.284 0.000 1.120 1153 T CB -0.130 68.907 68.868 0.283 0.000 0.917 1153 T HN 0.015 nan 8.240 nan 0.000 0.467 1154 I N 3.170 123.848 120.570 0.181 0.000 2.423 1154 I HA -0.006 4.164 4.170 -0.001 0.000 0.254 1154 I C 2.072 178.267 176.117 0.130 0.000 1.151 1154 I CA 0.579 61.969 61.300 0.149 0.000 1.421 1154 I CB -0.430 37.615 38.000 0.076 0.000 1.079 1154 I HN 0.539 nan 8.210 nan 0.000 0.431 1155 I N -2.811 117.826 120.570 0.111 0.000 2.928 1155 I HA -0.083 4.086 4.170 -0.001 0.000 0.266 1155 I C 2.089 178.207 176.117 0.003 0.000 1.234 1155 I CA 1.211 62.556 61.300 0.074 0.000 1.483 1155 I CB -0.459 37.608 38.000 0.113 0.000 1.097 1155 I HN 0.083 nan 8.210 nan 0.000 0.455 1156 I N 0.191 120.728 120.570 -0.055 0.000 2.429 1156 I HA 0.046 4.216 4.170 -0.001 0.000 0.247 1156 I C 0.577 176.464 176.117 -0.383 0.000 1.099 1156 I CA 0.461 61.580 61.300 -0.302 0.000 1.422 1156 I CB -0.030 37.610 38.000 -0.600 0.000 1.112 1156 I HN -0.018 nan 8.210 nan 0.000 0.430 1157 F N 0.870 120.858 119.950 0.064 0.000 2.389 1157 F HA 0.506 5.032 4.527 -0.001 0.000 0.337 1157 F C 0.888 176.727 175.800 0.065 0.000 1.112 1157 F CA -0.335 57.707 58.000 0.071 0.000 1.192 1157 F CB 0.661 39.707 39.000 0.077 0.000 1.185 1157 F HN -0.133 nan 8.300 nan 0.000 0.552 1158 G N 0.550 109.510 108.800 0.267 0.000 2.818 1158 G HA2 0.554 4.514 3.960 -0.001 0.000 0.286 1158 G HA3 0.554 4.514 3.960 -0.001 0.000 0.286 1158 G C -1.929 173.076 174.900 0.175 0.000 1.364 1158 G CA -0.776 44.431 45.100 0.180 0.000 0.938 1158 G HN 0.420 nan 8.290 nan 0.000 0.490 1159 D N -0.937 119.540 120.400 0.128 0.000 2.340 1159 D HA 0.740 5.379 4.640 -0.001 0.000 0.240 1159 D C 0.323 176.660 176.300 0.063 0.000 1.001 1159 D CA 0.262 54.326 54.000 0.107 0.000 0.888 1159 D CB 1.981 42.844 40.800 0.105 0.000 1.310 1159 D HN 0.906 nan 8.370 nan 0.000 0.474 1160 G N -0.940 107.900 108.800 0.066 0.000 2.313 1160 G HA2 0.619 4.579 3.960 -0.001 0.000 0.296 1160 G HA3 0.619 4.579 3.960 -0.001 0.000 0.296 1160 G C -2.013 172.927 174.900 0.067 0.000 1.356 1160 G CA -0.212 44.904 45.100 0.028 0.000 0.833 1160 G HN 0.624 nan 8.290 nan 0.000 0.552 1161 A N -1.306 121.552 122.820 0.064 0.000 2.549 1161 A HA 1.021 5.341 4.320 -0.001 0.000 0.297 1161 A C -0.089 177.501 177.584 0.010 0.000 1.061 1161 A CA 0.190 52.264 52.037 0.062 0.000 0.690 1161 A CB 1.834 20.895 19.000 0.103 0.000 1.287 1161 A HN 2.321 nan 8.150 nan 0.000 0.402 1162 G N -0.644 108.138 108.800 -0.029 0.000 2.612 1162 G HA2 0.909 4.869 3.960 -0.001 0.000 0.298 1162 G HA3 0.909 4.869 3.960 -0.001 0.000 0.298 1162 G C -0.708 174.154 174.900 -0.062 0.000 1.336 1162 G CA 0.066 45.109 45.100 -0.095 0.000 0.953 1162 G HN 1.974 nan 8.290 nan 0.000 0.482 1163 A N -0.635 122.161 122.820 -0.039 0.000 2.594 1163 A HA 1.037 5.356 4.320 -0.001 0.000 0.291 1163 A C -0.697 176.948 177.584 0.102 0.000 1.105 1163 A CA -0.116 51.964 52.037 0.072 0.000 0.694 1163 A CB 1.617 20.649 19.000 0.053 0.000 1.291 1163 A HN 2.373 nan 8.150 nan 0.000 0.410 1164 A N -0.072 122.868 122.820 0.200 0.000 2.549 1164 A HA 0.705 5.024 4.320 -0.001 0.000 0.297 1164 A C -1.411 176.260 177.584 0.144 0.000 1.061 1164 A CA -0.433 51.721 52.037 0.195 0.000 0.690 1164 A CB 1.461 20.661 19.000 0.332 0.000 1.287 1164 A HN 1.483 nan 8.150 nan 0.000 0.402 1165 V N 2.572 122.555 119.914 0.114 0.000 2.398 1165 V HA 0.488 4.608 4.120 -0.001 0.000 0.286 1165 V C -0.806 175.366 176.094 0.129 0.000 1.026 1165 V CA -0.403 61.955 62.300 0.097 0.000 0.868 1165 V CB 1.130 32.984 31.823 0.052 0.000 0.982 1165 V HN 0.720 nan 8.190 nan 0.000 0.443 1166 L N 4.269 125.575 121.223 0.138 0.000 2.331 1166 L HA 0.933 5.272 4.340 -0.001 0.000 0.275 1166 L C 0.222 177.205 176.870 0.189 0.000 1.022 1166 L CA -0.107 54.813 54.840 0.133 0.000 0.812 1166 L CB 1.664 43.775 42.059 0.086 0.000 1.257 1166 L HN 0.805 nan 8.230 nan 0.000 0.435 1167 A N 1.343 124.245 122.820 0.137 0.000 2.572 1167 A HA 0.910 5.230 4.320 -0.001 0.000 0.295 1167 A C -0.816 176.761 177.584 -0.012 0.000 1.072 1167 A CA -0.377 51.700 52.037 0.066 0.000 0.691 1167 A CB 1.285 20.408 19.000 0.205 0.000 1.291 1167 A HN 0.818 nan 8.150 nan 0.000 0.404 1168 A N 0.796 123.554 122.820 -0.103 0.000 2.445 1168 A HA 0.674 4.994 4.320 -0.001 0.000 0.242 1168 A C 0.365 177.942 177.584 -0.011 0.000 1.075 1168 A CA 0.374 52.377 52.037 -0.056 0.000 0.777 1168 A CB -0.082 18.861 19.000 -0.095 0.000 1.013 1168 A HN 1.436 nan 8.150 nan 0.000 0.493 1169 S N -0.024 115.699 115.700 0.038 0.000 2.550 1169 S HA 0.327 4.796 4.470 -0.001 0.000 0.270 1169 S C 0.245 174.913 174.600 0.114 0.000 1.145 1169 S CA -0.684 57.552 58.200 0.061 0.000 0.852 1169 S CB 1.599 64.835 63.200 0.059 0.000 1.119 1169 S HN 0.713 nan 8.310 nan 0.000 0.465 1170 E N 1.082 121.334 120.200 0.086 0.000 2.152 1170 E HA -0.010 4.339 4.350 -0.001 0.000 0.192 1170 E C -0.145 176.538 176.600 0.139 0.000 0.983 1170 E CA 1.064 57.531 56.400 0.112 0.000 0.818 1170 E CB 0.159 29.893 29.700 0.056 0.000 0.758 1170 E HN 0.619 nan 8.360 nan 0.000 0.467 1171 E N 0.561 120.775 120.200 0.024 0.000 2.288 1171 E HA 0.300 4.650 4.350 -0.001 0.000 0.268 1171 E C -2.583 173.875 176.600 -0.236 0.000 0.885 1171 E CA -2.282 54.010 56.400 -0.181 0.000 0.767 1171 E CB 2.381 32.000 29.700 -0.136 0.000 1.220 1171 E HN -0.099 nan 8.360 nan 0.000 0.427 1172 P HA 0.249 nan 4.420 nan 0.000 0.284 1172 P C 0.304 177.477 177.300 -0.211 0.000 1.253 1172 P CA 0.242 63.150 63.100 -0.320 0.000 0.800 1172 P CB 1.260 32.670 31.700 -0.482 0.000 0.961 1173 G N 3.021 111.715 108.800 -0.177 0.000 2.593 1173 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.237 1173 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.237 1173 G C -0.374 174.439 174.900 -0.146 0.000 1.312 1173 G CA -0.521 44.485 45.100 -0.155 0.000 0.896 1173 G HN 0.558 nan 8.290 nan 0.000 0.574 1174 I N 2.016 122.550 120.570 -0.059 0.000 2.389 1174 I HA 0.123 4.293 4.170 -0.001 0.000 0.295 1174 I C 1.849 177.993 176.117 0.045 0.000 1.117 1174 I CA -0.040 61.246 61.300 -0.023 0.000 1.317 1174 I CB 0.087 38.085 38.000 -0.004 0.000 1.431 1174 I HN 0.423 nan 8.210 nan 0.000 0.521 1175 I N 4.154 124.734 120.570 0.017 0.000 2.252 1175 I HA -0.154 4.015 4.170 -0.001 0.000 0.245 1175 I C 1.013 177.181 176.117 0.085 0.000 1.102 1175 I CA 0.986 62.317 61.300 0.052 0.000 1.385 1175 I CB -0.157 37.855 38.000 0.021 0.000 1.064 1175 I HN 0.742 nan 8.210 nan 0.000 0.414 1176 S N -0.671 115.064 115.700 0.058 0.000 2.595 1176 S HA 0.510 4.979 4.470 -0.001 0.000 0.270 1176 S C -0.484 174.075 174.600 -0.069 0.000 1.145 1176 S CA -0.641 57.550 58.200 -0.016 0.000 0.825 1176 S CB 1.805 65.024 63.200 0.031 0.000 1.107 1176 S HN 0.191 nan 8.310 nan 0.000 0.461 1177 T N -0.976 113.389 114.554 -0.314 0.000 2.903 1177 T HA 0.821 5.170 4.350 -0.001 0.000 0.299 1177 T C -1.688 172.624 174.700 -0.646 0.000 1.093 1177 T CA -0.646 61.298 62.100 -0.260 0.000 1.002 1177 T CB 1.401 70.157 68.868 -0.187 0.000 1.127 1177 T HN 0.862 nan 8.240 nan 0.000 0.488 1178 H N 0.396 119.401 119.070 -0.108 0.000 2.934 1178 H HA 0.639 5.195 4.556 -0.001 0.000 0.340 1178 H C -0.916 174.233 175.328 -0.298 0.000 1.008 1178 H CA -0.631 55.314 56.048 -0.173 0.000 1.317 1178 H CB 1.304 31.047 29.762 -0.031 0.000 1.670 1178 H HN 0.591 nan 8.280 nan 0.000 0.516 1179 L N 3.246 124.186 121.223 -0.472 0.000 2.346 1179 L HA 0.647 4.987 4.340 -0.001 0.000 0.274 1179 L C -0.430 175.935 176.870 -0.841 0.000 1.007 1179 L CA -0.654 53.792 54.840 -0.656 0.000 0.818 1179 L CB 1.820 43.292 42.059 -0.979 0.000 1.284 1179 L HN 0.680 nan 8.230 nan 0.000 0.424 1180 H N 0.587 119.357 119.070 -0.500 0.000 2.985 1180 H HA 0.881 5.436 4.556 -0.001 0.000 0.360 1180 H C -1.022 173.824 175.328 -0.804 0.000 1.221 1180 H CA -0.626 54.962 56.048 -0.766 0.000 1.121 1180 H CB 2.298 31.238 29.762 -1.370 0.000 1.854 1180 H HN 0.768 nan 8.280 nan 0.000 0.551 1181 A N 0.988 123.483 122.820 -0.541 0.000 2.605 1181 A HA 0.492 4.812 4.320 -0.001 0.000 0.294 1181 A C -1.863 175.723 177.584 0.004 0.000 1.062 1181 A CA -0.546 51.338 52.037 -0.254 0.000 0.682 1181 A CB 1.773 20.764 19.000 -0.016 0.000 1.278 1181 A HN 0.661 nan 8.150 nan 0.000 0.410 1182 D N 0.951 121.540 120.400 0.316 0.000 2.323 1182 D HA 0.394 5.033 4.640 -0.001 0.000 0.242 1182 D C 0.985 177.468 176.300 0.306 0.000 1.347 1182 D CA 0.418 54.649 54.000 0.386 0.000 0.988 1182 D CB 1.037 42.242 40.800 0.676 0.000 1.314 1182 D HN 0.722 nan 8.370 nan 0.000 0.564 1183 G N 1.369 110.258 108.800 0.148 0.000 2.559 1183 G HA2 -0.186 3.774 3.960 -0.001 0.000 0.216 1183 G HA3 -0.186 3.774 3.960 -0.001 0.000 0.216 1183 G C 1.371 176.266 174.900 -0.009 0.000 1.126 1183 G CA 0.969 46.113 45.100 0.073 0.000 0.778 1183 G HN 0.496 nan 8.290 nan 0.000 0.543 1184 S N -0.447 115.213 115.700 -0.066 0.000 2.469 1184 S HA -0.061 4.409 4.470 -0.001 0.000 0.238 1184 S C 1.528 175.900 174.600 -0.380 0.000 0.998 1184 S CA 0.464 58.530 58.200 -0.223 0.000 0.957 1184 S CB -0.457 62.564 63.200 -0.298 0.000 0.764 1184 S HN 0.413 nan 8.310 nan 0.000 0.514 1185 Y N 1.939 122.084 120.300 -0.259 0.000 2.532 1185 Y HA 0.441 4.991 4.550 -0.001 0.000 0.283 1185 Y C 2.237 177.854 175.900 -0.471 0.000 1.181 1185 Y CA -0.616 57.142 58.100 -0.569 0.000 1.256 1185 Y CB -0.585 36.995 38.460 -1.467 0.000 1.112 1185 Y HN 0.342 nan 8.280 nan 0.000 0.521 1186 G N 0.302 109.038 108.800 -0.107 0.000 2.469 1186 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.220 1186 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.220 1186 G C 1.491 176.400 174.900 0.015 0.000 1.136 1186 G CA 1.016 46.104 45.100 -0.020 0.000 0.759 1186 G HN 0.438 nan 8.290 nan 0.000 0.562 1187 E N -0.054 120.145 120.200 -0.002 0.000 2.208 1187 E HA 0.036 4.385 4.350 -0.001 0.000 0.193 1187 E C 2.363 179.014 176.600 0.084 0.000 0.988 1187 E CA 0.175 56.596 56.400 0.035 0.000 0.828 1187 E CB -0.120 29.592 29.700 0.019 0.000 0.763 1187 E HN 0.439 nan 8.360 nan 0.000 0.478 1188 L N 0.400 121.688 121.223 0.108 0.000 2.465 1188 L HA 0.030 4.370 4.340 -0.001 0.000 0.224 1188 L C 0.352 177.400 176.870 0.296 0.000 1.145 1188 L CA 0.152 55.121 54.840 0.215 0.000 0.834 1188 L CB 0.096 42.330 42.059 0.293 0.000 0.944 1188 L HN 0.090 nan 8.230 nan 0.000 0.451 1189 L N 0.187 121.583 121.223 0.288 0.000 2.639 1189 L HA 0.422 4.762 4.340 -0.001 0.000 0.264 1189 L C -0.484 176.496 176.870 0.184 0.000 0.948 1189 L CA -0.009 54.996 54.840 0.275 0.000 0.912 1189 L CB 1.779 44.069 42.059 0.386 0.000 1.294 1189 L HN 0.051 nan 8.230 nan 0.000 0.412 1190 T N 2.200 116.829 114.554 0.126 0.000 2.864 1190 T HA 0.799 5.149 4.350 -0.001 0.000 0.299 1190 T C -1.676 173.050 174.700 0.043 0.000 1.166 1190 T CA -0.704 61.443 62.100 0.078 0.000 1.007 1190 T CB 1.720 70.628 68.868 0.066 0.000 1.219 1190 T HN 0.775 nan 8.240 nan 0.000 0.506 1191 L N 2.008 123.243 121.223 0.020 0.000 2.595 1191 L HA 0.605 4.944 4.340 -0.001 0.000 0.259 1191 L C -2.928 173.938 176.870 -0.006 0.000 1.033 1191 L CA -1.333 53.504 54.840 -0.004 0.000 0.901 1191 L CB 0.898 42.938 42.059 -0.032 0.000 1.151 1191 L HN 0.570 nan 8.230 nan 0.000 0.453 1192 P HA 0.348 nan 4.420 nan 0.000 0.272 1192 P C -0.789 176.494 177.300 -0.030 0.000 1.223 1192 P CA -0.066 63.026 63.100 -0.014 0.000 0.784 1192 P CB 0.653 32.343 31.700 -0.015 0.000 0.923 1193 N N -0.403 118.280 118.700 -0.028 0.000 2.447 1193 N HA 0.497 5.237 4.740 -0.001 0.000 0.271 1193 N C -0.361 175.122 175.510 -0.046 0.000 1.226 1193 N CA -0.841 52.186 53.050 -0.038 0.000 0.980 1193 N CB 0.468 38.937 38.487 -0.030 0.000 1.206 1193 N HN 0.433 nan 8.380 nan 0.000 0.558 1194 A N 0.506 123.293 122.820 -0.055 0.000 2.565 1194 A HA -0.071 4.249 4.320 -0.001 0.000 0.237 1194 A C -0.139 177.420 177.584 -0.041 0.000 1.053 1194 A CA 0.409 52.413 52.037 -0.056 0.000 0.755 1194 A CB -0.085 18.879 19.000 -0.060 0.000 0.980 1194 A HN 0.590 nan 8.150 nan 0.000 0.506 1195 D N 1.612 121.990 120.400 -0.037 0.000 2.317 1195 D HA 0.144 4.784 4.640 -0.001 0.000 0.252 1195 D C 0.835 177.121 176.300 -0.024 0.000 1.174 1195 D CA -0.270 53.714 54.000 -0.026 0.000 0.866 1195 D CB 0.525 41.311 40.800 -0.023 0.000 1.127 1195 D HN 0.490 nan 8.370 nan 0.000 0.467 1196 R N 2.780 123.268 120.500 -0.019 0.000 2.310 1196 R HA 0.065 4.404 4.340 -0.001 0.000 0.202 1196 R C 1.063 177.356 176.300 -0.012 0.000 0.933 1196 R CA 0.095 56.185 56.100 -0.017 0.000 1.054 1196 R CB 0.484 30.776 30.300 -0.014 0.000 0.985 1196 R HN 0.324 nan 8.270 nan 0.000 0.489 1197 V N 0.472 120.380 119.914 -0.010 0.000 2.743 1197 V HA 0.065 4.184 4.120 -0.001 0.000 0.237 1197 V C 0.389 176.478 176.094 -0.008 0.000 1.113 1197 V CA 0.642 62.938 62.300 -0.007 0.000 1.141 1197 V CB 0.154 31.974 31.823 -0.005 0.000 0.873 1197 V HN 0.200 nan 8.190 nan 0.000 0.486 1198 N N 1.648 120.342 118.700 -0.009 0.000 2.976 1198 N HA 0.245 4.984 4.740 -0.001 0.000 0.255 1198 N C -2.090 173.411 175.510 -0.014 0.000 1.312 1198 N CA -1.190 51.854 53.050 -0.010 0.000 0.897 1198 N CB 1.484 39.967 38.487 -0.007 0.000 1.184 1198 N HN 0.269 nan 8.380 nan 0.000 0.497 1199 P HA -0.202 nan 4.420 nan 0.000 0.218 1199 P C 1.075 178.359 177.300 -0.026 0.000 1.146 1199 P CA 1.351 64.437 63.100 -0.023 0.000 0.813 1199 P CB 0.425 32.112 31.700 -0.022 0.000 0.778 1200 E N -0.662 119.526 120.200 -0.019 0.000 2.409 1200 E HA -0.094 4.256 4.350 -0.001 0.000 0.198 1200 E C 0.380 176.968 176.600 -0.020 0.000 1.024 1200 E CA 0.328 56.718 56.400 -0.018 0.000 0.861 1200 E CB -1.060 28.635 29.700 -0.010 0.000 0.788 1200 E HN 0.187 nan 8.360 nan 0.000 0.521 1201 N N 2.030 120.718 118.700 -0.021 0.000 2.441 1201 N HA -0.050 4.689 4.740 -0.001 0.000 0.251 1201 N C -0.275 175.212 175.510 -0.038 0.000 1.242 1201 N CA 0.168 53.206 53.050 -0.020 0.000 0.898 1201 N CB 0.984 39.462 38.487 -0.016 0.000 1.100 1201 N HN 0.115 nan 8.380 nan 0.000 0.443 1202 S N 0.896 116.577 115.700 -0.031 0.000 2.579 1202 S HA 0.181 4.651 4.470 -0.001 0.000 0.275 1202 S C 1.215 175.759 174.600 -0.094 0.000 1.345 1202 S CA -0.441 57.721 58.200 -0.063 0.000 1.031 1202 S CB 0.079 63.281 63.200 0.004 0.000 0.892 1202 S HN 0.492 nan 8.310 nan 0.000 0.529 1203 I N 0.350 120.799 120.570 -0.202 0.000 4.050 1203 I HA 0.424 4.593 4.170 -0.001 0.000 0.327 1203 I C 0.041 176.070 176.117 -0.146 0.000 1.473 1203 I CA -0.699 60.504 61.300 -0.161 0.000 1.124 1203 I CB -0.304 37.595 38.000 -0.168 0.000 1.129 1203 I HN 0.519 nan 8.210 nan 0.000 0.428 1204 H N 2.027 121.093 119.070 -0.007 0.000 2.629 1204 H HA 0.389 4.944 4.556 -0.001 0.000 0.357 1204 H C -0.055 175.266 175.328 -0.013 0.000 1.121 1204 H CA -0.606 55.437 56.048 -0.010 0.000 1.406 1204 H CB 1.574 31.339 29.762 0.005 0.000 1.456 1204 H HN 0.228 nan 8.280 nan 0.000 0.579 1205 L N 2.742 124.031 121.223 0.111 0.000 2.490 1205 L HA 0.081 4.421 4.340 -0.001 0.000 0.274 1205 L C 0.146 177.058 176.870 0.070 0.000 1.201 1205 L CA 0.131 54.983 54.840 0.020 0.000 0.869 1205 L CB 0.262 42.248 42.059 -0.123 0.000 1.123 1205 L HN 0.777 nan 8.230 nan 0.000 0.484 1206 T N 3.381 117.983 114.554 0.081 0.000 2.924 1206 T HA 0.672 5.022 4.350 -0.001 0.000 0.291 1206 T C -0.578 174.208 174.700 0.144 0.000 1.045 1206 T CA -0.919 61.247 62.100 0.111 0.000 1.015 1206 T CB 1.856 70.785 68.868 0.101 0.000 1.103 1206 T HN 0.750 nan 8.240 nan 0.000 0.496 1207 M N 1.693 121.391 119.600 0.163 0.000 2.365 1207 M HA 0.605 5.084 4.480 -0.001 0.000 0.288 1207 M C -1.843 174.563 176.300 0.176 0.000 1.152 1207 M CA -0.701 54.718 55.300 0.198 0.000 0.948 1207 M CB 1.923 34.668 32.600 0.242 0.000 1.729 1207 M HN 0.953 nan 8.290 nan 0.000 0.487 1208 A N 3.088 126.022 122.820 0.189 0.000 3.079 1208 A HA 0.561 4.881 4.320 -0.001 0.000 0.315 1208 A C 0.992 178.683 177.584 0.179 0.000 1.334 1208 A CA 0.040 52.176 52.037 0.165 0.000 1.048 1208 A CB -0.605 18.493 19.000 0.162 0.000 1.156 1208 A HN 1.172 nan 8.150 nan 0.000 0.523 1209 G N 1.357 110.254 108.800 0.161 0.000 2.503 1209 G HA2 -0.320 3.639 3.960 -0.001 0.000 0.221 1209 G HA3 -0.320 3.639 3.960 -0.001 0.000 0.221 1209 G C 1.199 176.185 174.900 0.144 0.000 1.131 1209 G CA 1.364 46.556 45.100 0.153 0.000 0.756 1209 G HN 0.625 nan 8.290 nan 0.000 0.572 1210 N N 1.030 119.795 118.700 0.108 0.000 2.120 1210 N HA -0.055 4.685 4.740 -0.001 0.000 0.188 1210 N C 2.078 177.665 175.510 0.128 0.000 1.024 1210 N CA 1.485 54.583 53.050 0.080 0.000 0.852 1210 N CB -0.355 38.162 38.487 0.050 0.000 1.003 1210 N HN 0.506 nan 8.380 nan 0.000 0.424 1211 E N -0.134 120.159 120.200 0.155 0.000 2.299 1211 E HA 0.059 4.408 4.350 -0.001 0.000 0.193 1211 E C 1.872 178.598 176.600 0.210 0.000 0.998 1211 E CA 0.094 56.602 56.400 0.180 0.000 0.851 1211 E CB 0.129 29.946 29.700 0.194 0.000 0.795 1211 E HN 0.032 nan 8.360 nan 0.000 0.492 1212 V N 0.805 120.859 119.914 0.233 0.000 2.453 1212 V HA -0.203 3.916 4.120 -0.001 0.000 0.247 1212 V C 1.849 177.912 176.094 -0.052 0.000 1.048 1212 V CA 1.417 63.825 62.300 0.181 0.000 1.049 1212 V CB -0.427 31.521 31.823 0.209 0.000 0.672 1212 V HN 0.249 nan 8.190 nan 0.000 0.457 1213 F N 2.187 122.076 119.950 -0.101 0.000 2.043 1213 F HA -0.295 4.231 4.527 -0.001 0.000 0.297 1213 F C 2.499 178.161 175.800 -0.230 0.000 1.121 1213 F CA 2.975 60.874 58.000 -0.169 0.000 1.199 1213 F CB -0.665 38.272 39.000 -0.105 0.000 0.968 1213 F HN 0.103 nan 8.300 nan 0.000 0.478 1214 K N 0.026 120.468 120.400 0.070 0.000 2.032 1214 K HA -0.112 4.208 4.320 -0.001 0.000 0.209 1214 K C 2.033 178.459 176.600 -0.291 0.000 1.048 1214 K CA 2.105 58.358 56.287 -0.057 0.000 0.927 1214 K CB -1.715 30.813 32.500 0.047 0.000 0.712 1214 K HN 0.315 nan 8.250 nan 0.000 0.441 1215 V N 0.661 120.384 119.914 -0.318 0.000 2.453 1215 V HA -0.106 4.013 4.120 -0.001 0.000 0.247 1215 V C 2.913 178.482 176.094 -0.874 0.000 1.048 1215 V CA 1.616 63.639 62.300 -0.461 0.000 1.049 1215 V CB -0.635 30.980 31.823 -0.347 0.000 0.672 1215 V HN 0.680 nan 8.190 nan 0.000 0.457 1216 A N 0.094 122.184 122.820 -1.218 0.000 1.858 1216 A HA -0.165 4.154 4.320 -0.001 0.000 0.216 1216 A C 2.399 179.347 177.584 -1.060 0.000 1.190 1216 A CA 2.176 53.137 52.037 -1.793 0.000 0.617 1216 A CB -0.769 17.318 19.000 -1.522 0.000 0.827 1216 A HN 0.319 nan 8.150 nan 0.000 0.443 1217 V N -0.162 119.234 119.914 -0.864 0.000 2.343 1217 V HA -0.233 3.887 4.120 -0.001 0.000 0.247 1217 V C 2.744 178.507 176.094 -0.553 0.000 1.051 1217 V CA 2.460 64.362 62.300 -0.662 0.000 1.036 1217 V CB -1.310 30.102 31.823 -0.685 0.000 0.654 1217 V HN 0.623 nan 8.190 nan 0.000 0.451 1218 T N -0.383 113.824 114.554 -0.578 0.000 2.684 1218 T HA -0.180 4.170 4.350 -0.001 0.000 0.267 1218 T C 1.873 176.106 174.700 -0.779 0.000 1.036 1218 T CA 1.561 63.286 62.100 -0.626 0.000 1.148 1218 T CB -0.228 68.330 68.868 -0.516 0.000 0.863 1218 T HN 0.466 nan 8.240 nan 0.000 0.436 1219 E N 0.992 120.764 120.200 -0.713 0.000 2.112 1219 E HA 0.092 4.442 4.350 -0.001 0.000 0.190 1219 E C 2.350 178.732 176.600 -0.363 0.000 0.979 1219 E CA 0.446 56.461 56.400 -0.641 0.000 0.814 1219 E CB -0.436 28.533 29.700 -1.218 0.000 0.762 1219 E HN 0.455 nan 8.360 nan 0.000 0.460 1220 L N 0.580 121.582 121.223 -0.369 0.000 2.131 1220 L HA -0.149 4.191 4.340 -0.001 0.000 0.210 1220 L C 2.433 179.246 176.870 -0.094 0.000 1.092 1220 L CA 1.090 55.836 54.840 -0.157 0.000 0.759 1220 L CB -0.442 41.495 42.059 -0.202 0.000 0.903 1220 L HN 0.064 nan 8.230 nan 0.000 0.435 1221 A N -0.856 121.860 122.820 -0.175 0.000 1.854 1221 A HA -0.192 4.127 4.320 -0.001 0.000 0.214 1221 A C 2.076 179.688 177.584 0.048 0.000 1.192 1221 A CA 1.143 53.128 52.037 -0.088 0.000 0.611 1221 A CB -0.673 18.236 19.000 -0.151 0.000 0.832 1221 A HN 0.340 nan 8.150 nan 0.000 0.442 1222 H N -0.429 118.610 119.070 -0.053 0.000 2.319 1222 H HA -0.113 4.443 4.556 -0.001 0.000 0.297 1222 H C 1.959 177.309 175.328 0.036 0.000 1.097 1222 H CA 1.531 57.571 56.048 -0.013 0.000 1.285 1222 H CB -0.594 29.159 29.762 -0.015 0.000 1.368 1222 H HN 0.505 nan 8.280 nan 0.000 0.495 1223 I N 0.034 120.741 120.570 0.227 0.000 2.493 1223 I HA -0.201 3.969 4.170 -0.001 0.000 0.254 1223 I C 1.930 178.116 176.117 0.116 0.000 1.160 1223 I CA 0.522 61.957 61.300 0.226 0.000 1.445 1223 I CB -0.015 38.211 38.000 0.377 0.000 1.086 1223 I HN -0.015 nan 8.210 nan 0.000 0.433 1224 V N 0.970 120.942 119.914 0.097 0.000 2.295 1224 V HA -0.287 3.832 4.120 -0.001 0.000 0.246 1224 V C 2.018 178.131 176.094 0.032 0.000 1.049 1224 V CA 2.183 64.520 62.300 0.062 0.000 1.024 1224 V CB -0.714 31.141 31.823 0.053 0.000 0.648 1224 V HN 0.446 nan 8.190 nan 0.000 0.447 1225 D N -0.633 119.791 120.400 0.040 0.000 2.178 1225 D HA -0.164 4.476 4.640 -0.001 0.000 0.202 1225 D C 2.127 178.419 176.300 -0.014 0.000 0.974 1225 D CA 1.209 55.218 54.000 0.015 0.000 0.841 1225 D CB -0.057 40.756 40.800 0.021 0.000 0.953 1225 D HN 0.593 nan 8.370 nan 0.000 0.478 1226 E N 0.360 120.551 120.200 -0.015 0.000 2.047 1226 E HA -0.140 4.210 4.350 -0.001 0.000 0.191 1226 E C 1.664 178.146 176.600 -0.197 0.000 0.987 1226 E CA 1.295 57.657 56.400 -0.063 0.000 0.799 1226 E CB 0.168 29.865 29.700 -0.005 0.000 0.752 1226 E HN 0.066 nan 8.360 nan 0.000 0.449 1227 T N 1.556 115.952 114.554 -0.264 0.000 2.720 1227 T HA -0.140 4.209 4.350 -0.001 0.000 0.268 1227 T C 1.889 176.519 174.700 -0.117 0.000 1.037 1227 T CA 1.204 63.081 62.100 -0.371 0.000 1.144 1227 T CB -0.151 68.629 68.868 -0.147 0.000 0.864 1227 T HN 0.158 nan 8.240 nan 0.000 0.444 1228 L N 0.450 121.644 121.223 -0.048 0.000 2.109 1228 L HA 0.045 4.385 4.340 -0.001 0.000 0.207 1228 L C 3.019 179.887 176.870 -0.004 0.000 1.086 1228 L CA 0.941 55.778 54.840 -0.005 0.000 0.760 1228 L CB -0.598 41.465 42.059 0.005 0.000 0.910 1228 L HN 0.235 nan 8.230 nan 0.000 0.437 1229 A N 0.166 122.976 122.820 -0.016 0.000 1.930 1229 A HA -0.102 4.217 4.320 -0.001 0.000 0.217 1229 A C 2.507 180.097 177.584 0.011 0.000 1.175 1229 A CA 1.424 53.458 52.037 -0.004 0.000 0.627 1229 A CB -0.578 18.417 19.000 -0.009 0.000 0.815 1229 A HN 0.369 nan 8.150 nan 0.000 0.443 1230 A N 0.055 122.881 122.820 0.010 0.000 2.076 1230 A HA -0.170 4.149 4.320 -0.001 0.000 0.220 1230 A C 1.431 179.059 177.584 0.074 0.000 1.160 1230 A CA 1.720 53.796 52.037 0.065 0.000 0.653 1230 A CB -0.585 18.508 19.000 0.154 0.000 0.801 1230 A HN 0.673 nan 8.150 nan 0.000 0.455 1231 N N -0.199 118.536 118.700 0.057 0.000 2.234 1231 N HA 0.096 4.836 4.740 -0.001 0.000 0.227 1231 N C -0.515 175.015 175.510 0.033 0.000 1.151 1231 N CA -0.170 52.912 53.050 0.054 0.000 0.865 1231 N CB 0.358 38.882 38.487 0.062 0.000 1.066 1231 N HN 0.249 nan 8.380 nan 0.000 0.515 1232 N N 0.934 119.649 118.700 0.025 0.000 2.714 1232 N HA -0.184 4.555 4.740 -0.001 0.000 0.252 1232 N C -1.212 174.306 175.510 0.013 0.000 1.014 1232 N CA 0.902 53.962 53.050 0.017 0.000 0.735 1232 N CB -1.046 37.450 38.487 0.016 0.000 0.924 1232 N HN 0.418 nan 8.380 nan 0.000 0.540 1233 L N -0.001 121.230 121.223 0.014 0.000 2.329 1233 L HA 0.407 4.746 4.340 -0.001 0.000 0.279 1233 L C 0.455 177.329 176.870 0.007 0.000 1.014 1233 L CA -0.871 53.975 54.840 0.011 0.000 0.814 1233 L CB 1.515 43.584 42.059 0.017 0.000 1.257 1233 L HN -0.115 nan 8.230 nan 0.000 0.424 1234 D N 1.089 121.492 120.400 0.004 0.000 2.283 1234 D HA 0.208 4.847 4.640 -0.001 0.000 0.248 1234 D C 1.218 177.518 176.300 -0.000 0.000 1.072 1234 D CA -0.149 53.851 54.000 0.001 0.000 0.929 1234 D CB 1.370 42.169 40.800 -0.002 0.000 1.182 1234 D HN 0.582 nan 8.370 nan 0.000 0.433 1235 R N 1.043 121.541 120.500 -0.002 0.000 2.139 1235 R HA -0.188 4.151 4.340 -0.001 0.000 0.243 1235 R C 2.046 178.338 176.300 -0.012 0.000 1.145 1235 R CA 2.324 58.422 56.100 -0.004 0.000 0.976 1235 R CB -1.782 28.514 30.300 -0.007 0.000 0.866 1235 R HN 0.634 nan 8.270 nan 0.000 0.449 1236 S N -0.469 115.222 115.700 -0.016 0.000 2.440 1236 S HA -0.194 4.276 4.470 -0.001 0.000 0.238 1236 S C 2.008 176.594 174.600 -0.023 0.000 1.010 1236 S CA 1.411 59.597 58.200 -0.024 0.000 0.972 1236 S CB -0.024 63.163 63.200 -0.021 0.000 0.774 1236 S HN 0.569 nan 8.310 nan 0.000 0.501 1237 Q N 0.281 120.074 119.800 -0.011 0.000 2.311 1237 Q HA 0.354 4.693 4.340 -0.001 0.000 0.203 1237 Q C 0.291 176.292 176.000 0.002 0.000 0.954 1237 Q CA 0.190 55.992 55.803 -0.003 0.000 0.885 1237 Q CB -0.364 28.378 28.738 0.006 0.000 0.963 1237 Q HN 0.586 nan 8.270 nan 0.000 0.471 1238 L N 1.038 122.261 121.223 -0.000 0.000 2.360 1238 L HA 0.069 4.408 4.340 -0.001 0.000 0.276 1238 L C 0.328 177.177 176.870 -0.035 0.000 1.121 1238 L CA 0.750 55.598 54.840 0.013 0.000 0.845 1238 L CB 0.707 42.780 42.059 0.023 0.000 1.143 1238 L HN 0.097 nan 8.230 nan 0.000 0.452 1239 D N 3.421 123.810 120.400 -0.019 0.000 2.338 1239 D HA 0.020 4.659 4.640 -0.001 0.000 0.224 1239 D C -0.543 175.528 176.300 -0.382 0.000 0.967 1239 D CA 1.107 54.990 54.000 -0.194 0.000 0.896 1239 D CB 0.166 40.917 40.800 -0.081 0.000 1.028 1239 D HN 0.456 nan 8.370 nan 0.000 0.493 1240 W N 0.433 121.760 121.300 0.046 0.000 3.032 1240 W HA 0.475 5.134 4.660 -0.001 0.000 0.335 1240 W C -1.105 175.445 176.519 0.052 0.000 1.154 1240 W CA -0.927 56.441 57.345 0.039 0.000 1.204 1240 W CB 1.528 31.009 29.460 0.034 0.000 1.416 1240 W HN -0.300 nan 8.180 nan 0.000 0.521 1241 L N 3.391 124.816 121.223 0.337 0.000 2.325 1241 L HA 0.764 5.104 4.340 -0.001 0.000 0.281 1241 L C -1.229 175.762 176.870 0.202 0.000 1.004 1241 L CA -0.729 54.240 54.840 0.214 0.000 0.823 1241 L CB 1.509 43.650 42.059 0.136 0.000 1.236 1241 L HN 0.231 nan 8.230 nan 0.000 0.415 1242 V N 7.704 127.717 119.914 0.165 0.000 2.266 1242 V HA 0.484 4.603 4.120 -0.001 0.000 0.271 1242 V C -2.174 173.993 176.094 0.121 0.000 1.032 1242 V CA -1.006 61.361 62.300 0.112 0.000 0.806 1242 V CB 0.933 32.808 31.823 0.088 0.000 1.052 1242 V HN 0.701 nan 8.190 nan 0.000 0.449 1243 P HA 0.247 nan 4.420 nan 0.000 0.283 1243 P C -0.493 176.881 177.300 0.123 0.000 1.271 1243 P CA -0.548 62.622 63.100 0.116 0.000 0.841 1243 P CB 1.107 32.850 31.700 0.071 0.000 1.122 1244 H N 2.041 121.165 119.070 0.091 0.000 2.848 1244 H HA 0.031 4.586 4.556 -0.001 0.000 0.341 1244 H C -0.021 175.338 175.328 0.052 0.000 1.060 1244 H CA 0.099 56.200 56.048 0.089 0.000 1.444 1244 H CB 0.679 30.517 29.762 0.127 0.000 1.446 1244 H HN 0.281 nan 8.280 nan 0.000 0.583 1245 Q N 4.854 124.325 119.800 -0.549 0.000 3.181 1245 Q HA 0.110 4.449 4.340 -0.001 0.000 0.293 1245 Q C 1.127 176.782 176.000 -0.574 0.000 1.406 1245 Q CA 0.193 55.741 55.803 -0.425 0.000 1.026 1245 Q CB 0.520 29.128 28.738 -0.217 0.000 1.630 1245 Q HN 0.678 nan 8.270 nan 0.000 0.553 1246 A N 2.846 125.341 122.820 -0.542 0.000 1.865 1246 A HA -0.170 4.149 4.320 -0.001 0.000 0.217 1246 A C 0.813 178.279 177.584 -0.197 0.000 1.191 1246 A CA 1.979 53.856 52.037 -0.267 0.000 0.623 1246 A CB -0.122 18.854 19.000 -0.039 0.000 0.826 1246 A HN 0.756 nan 8.150 nan 0.000 0.444 1247 N N -4.759 113.847 118.700 -0.157 0.000 4.046 1247 N HA 0.113 4.852 4.740 -0.001 0.000 0.217 1247 N C -0.143 175.314 175.510 -0.089 0.000 1.317 1247 N CA -0.199 52.778 53.050 -0.122 0.000 0.871 1247 N CB -0.088 38.340 38.487 -0.099 0.000 1.461 1247 N HN -0.042 nan 8.380 nan 0.000 0.489 1248 L N 0.258 121.434 121.223 -0.078 0.000 2.042 1248 L HA -0.072 4.268 4.340 -0.001 0.000 0.210 1248 L C 2.224 179.076 176.870 -0.031 0.000 1.076 1248 L CA 1.649 56.453 54.840 -0.060 0.000 0.749 1248 L CB -0.265 41.757 42.059 -0.062 0.000 0.893 1248 L HN 0.626 nan 8.230 nan 0.000 0.432 1249 R N -0.266 120.234 120.500 -0.001 0.000 2.083 1249 R HA -0.195 4.145 4.340 -0.001 0.000 0.237 1249 R C 2.175 178.550 176.300 0.124 0.000 1.137 1249 R CA 1.519 57.669 56.100 0.082 0.000 0.951 1249 R CB -0.403 29.963 30.300 0.111 0.000 0.851 1249 R HN 0.367 nan 8.270 nan 0.000 0.434 1250 I N 0.634 121.236 120.570 0.053 0.000 2.179 1250 I HA -0.285 3.884 4.170 -0.001 0.000 0.242 1250 I C 2.293 178.309 176.117 -0.168 0.000 1.088 1250 I CA 1.397 62.586 61.300 -0.184 0.000 1.357 1250 I CB -0.181 37.680 38.000 -0.232 0.000 1.051 1250 I HN 0.134 nan 8.210 nan 0.000 0.409 1251 I N -0.050 120.459 120.570 -0.101 0.000 2.202 1251 I HA -0.273 3.897 4.170 -0.001 0.000 0.242 1251 I C 2.607 178.686 176.117 -0.062 0.000 1.091 1251 I CA 1.270 62.522 61.300 -0.080 0.000 1.368 1251 I CB -0.329 37.635 38.000 -0.060 0.000 1.058 1251 I HN 0.126 nan 8.210 nan 0.000 0.410 1252 S N 0.876 116.551 115.700 -0.042 0.000 2.370 1252 S HA -0.202 4.267 4.470 -0.001 0.000 0.226 1252 S C 2.232 176.814 174.600 -0.030 0.000 1.033 1252 S CA 1.415 59.598 58.200 -0.027 0.000 1.011 1252 S CB -0.442 62.750 63.200 -0.014 0.000 0.852 1252 S HN 0.556 nan 8.310 nan 0.000 0.457 1253 A N 1.291 124.092 122.820 -0.031 0.000 1.930 1253 A HA -0.077 4.243 4.320 -0.001 0.000 0.217 1253 A C 2.324 179.844 177.584 -0.106 0.000 1.175 1253 A CA 1.867 53.879 52.037 -0.042 0.000 0.627 1253 A CB -1.210 17.779 19.000 -0.019 0.000 0.815 1253 A HN 0.473 nan 8.150 nan 0.000 0.443 1254 T N 0.390 114.859 114.554 -0.142 0.000 2.708 1254 T HA -0.029 4.321 4.350 -0.001 0.000 0.266 1254 T C 2.269 176.921 174.700 -0.080 0.000 1.037 1254 T CA 1.646 63.662 62.100 -0.140 0.000 1.146 1254 T CB -0.489 68.297 68.868 -0.138 0.000 0.865 1254 T HN 0.586 nan 8.240 nan 0.000 0.435 1255 A N 1.723 124.509 122.820 -0.056 0.000 1.877 1255 A HA -0.144 4.175 4.320 -0.001 0.000 0.216 1255 A C 2.231 179.795 177.584 -0.033 0.000 1.186 1255 A CA 2.026 54.043 52.037 -0.034 0.000 0.620 1255 A CB -0.616 18.369 19.000 -0.024 0.000 0.822 1255 A HN 0.476 nan 8.150 nan 0.000 0.443 1256 K N -0.123 120.256 120.400 -0.034 0.000 2.001 1256 K HA -0.257 4.063 4.320 -0.001 0.000 0.214 1256 K C 2.196 178.779 176.600 -0.029 0.000 1.050 1256 K CA 2.100 58.371 56.287 -0.027 0.000 0.934 1256 K CB -0.271 32.216 32.500 -0.021 0.000 0.718 1256 K HN 0.392 nan 8.250 nan 0.000 0.443 1257 K N 0.103 120.478 120.400 -0.042 0.000 2.127 1257 K HA -0.162 4.158 4.320 -0.001 0.000 0.208 1257 K C 1.797 178.381 176.600 -0.027 0.000 1.047 1257 K CA 1.354 57.616 56.287 -0.042 0.000 0.927 1257 K CB -0.028 32.425 32.500 -0.077 0.000 0.716 1257 K HN 0.091 nan 8.250 nan 0.000 0.450 1258 L N 0.207 121.413 121.223 -0.028 0.000 2.554 1258 L HA 0.166 4.506 4.340 -0.001 0.000 0.226 1258 L C 0.997 177.859 176.870 -0.014 0.000 1.137 1258 L CA 1.450 56.282 54.840 -0.014 0.000 0.863 1258 L CB -0.442 41.609 42.059 -0.012 0.000 0.985 1258 L HN 0.496 nan 8.230 nan 0.000 0.451 1259 G N 0.476 109.265 108.800 -0.018 0.000 2.273 1259 G HA2 -0.350 3.609 3.960 -0.001 0.000 0.280 1259 G HA3 -0.350 3.609 3.960 -0.001 0.000 0.280 1259 G C 0.315 175.202 174.900 -0.021 0.000 1.047 1259 G CA 0.766 45.856 45.100 -0.018 0.000 0.869 1259 G HN 0.359 nan 8.290 nan 0.000 0.502 1260 M N 0.653 120.239 119.600 -0.023 0.000 2.404 1260 M HA 0.656 5.136 4.480 -0.001 0.000 0.338 1260 M C 0.555 176.837 176.300 -0.030 0.000 1.150 1260 M CA -0.653 54.631 55.300 -0.027 0.000 1.016 1260 M CB 1.639 34.227 32.600 -0.020 0.000 1.672 1260 M HN 0.267 nan 8.290 nan 0.000 0.448 1261 S N 3.604 119.280 115.700 -0.041 0.000 2.548 1261 S HA 0.191 4.660 4.470 -0.001 0.000 0.277 1261 S C 1.196 175.775 174.600 -0.035 0.000 1.315 1261 S CA -0.629 57.546 58.200 -0.042 0.000 1.050 1261 S CB 0.687 63.853 63.200 -0.058 0.000 0.918 1261 S HN 0.903 nan 8.310 nan 0.000 0.497 1262 M N 2.962 122.550 119.600 -0.022 0.000 2.446 1262 M HA -0.054 4.426 4.480 -0.001 0.000 0.263 1262 M C 0.944 177.249 176.300 0.009 0.000 1.066 1262 M CA 0.993 56.291 55.300 -0.003 0.000 1.087 1262 M CB -1.314 31.283 32.600 -0.004 0.000 1.406 1262 M HN 0.627 nan 8.290 nan 0.000 0.459 1263 D N 0.552 120.939 120.400 -0.022 0.000 2.263 1263 D HA -0.111 4.528 4.640 -0.001 0.000 0.208 1263 D C 0.860 177.102 176.300 -0.097 0.000 0.971 1263 D CA 0.961 54.941 54.000 -0.034 0.000 0.867 1263 D CB -0.361 40.397 40.800 -0.071 0.000 0.929 1263 D HN 0.423 nan 8.370 nan 0.000 0.492 1264 N N -0.706 117.918 118.700 -0.128 0.000 2.251 1264 N HA 0.100 4.839 4.740 -0.001 0.000 0.217 1264 N C -0.940 174.622 175.510 0.086 0.000 1.124 1264 N CA -0.028 52.876 53.050 -0.243 0.000 0.843 1264 N CB 1.204 39.546 38.487 -0.243 0.000 1.024 1264 N HN -0.125 nan 8.380 nan 0.000 0.501 1265 V N 0.898 120.927 119.914 0.192 0.000 2.487 1265 V HA 0.333 4.452 4.120 -0.001 0.000 0.298 1265 V C -0.054 176.182 176.094 0.237 0.000 1.028 1265 V CA -1.005 61.423 62.300 0.214 0.000 0.860 1265 V CB 2.155 34.033 31.823 0.091 0.000 0.991 1265 V HN -0.207 nan 8.190 nan 0.000 0.427 1266 V N 5.737 125.761 119.914 0.185 0.000 2.455 1266 V HA 0.318 4.438 4.120 -0.001 0.000 0.273 1266 V C -0.019 176.069 176.094 -0.009 0.000 1.045 1266 V CA -0.128 62.193 62.300 0.035 0.000 0.976 1266 V CB 1.424 33.190 31.823 -0.094 0.000 0.993 1266 V HN 0.621 nan 8.190 nan 0.000 0.475 1267 V N 4.806 124.699 119.914 -0.036 0.000 2.444 1267 V HA 0.442 4.561 4.120 -0.001 0.000 0.294 1267 V C 0.716 176.733 176.094 -0.128 0.000 1.022 1267 V CA 0.074 62.333 62.300 -0.068 0.000 0.850 1267 V CB 1.711 33.505 31.823 -0.047 0.000 0.992 1267 V HN 0.996 nan 8.190 nan 0.000 0.426 1268 T N 0.482 114.930 114.554 -0.177 0.000 3.016 1268 T HA 0.075 4.425 4.350 -0.001 0.000 0.271 1268 T C 1.421 175.957 174.700 -0.274 0.000 0.968 1268 T CA 0.328 62.235 62.100 -0.321 0.000 0.891 1268 T CB -0.023 68.537 68.868 -0.515 0.000 1.149 1268 T HN 0.437 nan 8.240 nan 0.000 0.524 1269 L N 1.828 122.961 121.223 -0.149 0.000 2.187 1269 L HA 0.018 4.357 4.340 -0.001 0.000 0.213 1269 L C 1.953 178.787 176.870 -0.061 0.000 1.100 1269 L CA 1.996 56.783 54.840 -0.089 0.000 0.765 1269 L CB -1.309 40.688 42.059 -0.103 0.000 0.904 1269 L HN 0.230 nan 8.230 nan 0.000 0.437 1270 D N 0.371 120.726 120.400 -0.076 0.000 2.218 1270 D HA -0.228 4.411 4.640 -0.001 0.000 0.204 1270 D C 1.992 178.281 176.300 -0.018 0.000 0.976 1270 D CA 1.466 55.437 54.000 -0.049 0.000 0.853 1270 D CB -0.208 40.560 40.800 -0.053 0.000 0.939 1270 D HN 0.535 nan 8.370 nan 0.000 0.481 1271 R N -1.194 119.297 120.500 -0.016 0.000 2.250 1271 R HA 0.223 4.562 4.340 -0.001 0.000 0.194 1271 R C 1.934 178.418 176.300 0.308 0.000 0.927 1271 R CA 0.214 56.370 56.100 0.094 0.000 1.052 1271 R CB 0.209 30.544 30.300 0.058 0.000 1.055 1271 R HN 0.383 nan 8.270 nan 0.000 0.537 1272 H N -0.665 118.434 119.070 0.048 0.000 2.681 1272 H HA 0.247 4.803 4.556 -0.001 0.000 0.268 1272 H C 0.941 176.296 175.328 0.045 0.000 0.967 1272 H CA -0.150 55.940 56.048 0.069 0.000 1.233 1272 H CB 0.946 30.707 29.762 -0.003 0.000 1.445 1272 H HN 0.290 nan 8.280 nan 0.000 0.494 1273 G N 1.819 110.690 108.800 0.118 0.000 2.645 1273 G HA2 -0.308 3.652 3.960 -0.001 0.000 0.239 1273 G HA3 -0.308 3.652 3.960 -0.001 0.000 0.239 1273 G C -0.442 174.457 174.900 -0.002 0.000 1.331 1273 G CA -0.185 44.928 45.100 0.021 0.000 0.890 1273 G HN 0.430 nan 8.290 nan 0.000 0.572 1274 N N 0.862 119.521 118.700 -0.069 0.000 2.439 1274 N HA 0.469 5.208 4.740 -0.001 0.000 0.249 1274 N C 1.061 176.675 175.510 0.174 0.000 1.003 1274 N CA 0.477 53.495 53.050 -0.053 0.000 0.942 1274 N CB 0.830 39.148 38.487 -0.281 0.000 1.115 1274 N HN 1.062 nan 8.380 nan 0.000 0.505 1275 T N 0.446 115.128 114.554 0.214 0.000 3.243 1275 T HA 0.206 4.555 4.350 -0.001 0.000 0.264 1275 T C 0.857 175.723 174.700 0.277 0.000 1.000 1275 T CA 0.030 62.272 62.100 0.236 0.000 0.901 1275 T CB -0.354 68.591 68.868 0.129 0.000 1.083 1275 T HN 0.454 nan 8.240 nan 0.000 0.559 1276 S N 1.585 117.538 115.700 0.422 0.000 4.054 1276 S HA -0.381 4.089 4.470 -0.001 0.000 0.618 1276 S C 1.943 176.647 174.600 0.173 0.000 2.026 1276 S CA 1.665 60.045 58.200 0.299 0.000 4.205 1276 S CB -1.666 61.654 63.200 0.200 0.000 0.233 1276 S HN 1.523 nan 8.310 nan 0.000 0.612 1277 A N 0.829 123.718 122.820 0.115 0.000 2.024 1277 A HA 0.243 4.563 4.320 -0.001 0.000 0.220 1277 A C 2.423 180.083 177.584 0.126 0.000 1.164 1277 A CA 2.588 54.706 52.037 0.134 0.000 0.643 1277 A CB -1.196 17.887 19.000 0.137 0.000 0.806 1277 A HN 1.664 nan 8.150 nan 0.000 0.451 1278 A N -1.249 121.629 122.820 0.097 0.000 2.169 1278 A HA 0.140 4.459 4.320 -0.001 0.000 0.212 1278 A C 2.225 179.814 177.584 0.009 0.000 1.153 1278 A CA 1.386 53.436 52.037 0.022 0.000 0.756 1278 A CB -0.604 18.416 19.000 0.034 0.000 0.813 1278 A HN 0.472 nan 8.150 nan 0.000 0.471 1279 S N -0.293 115.480 115.700 0.121 0.000 2.351 1279 S HA -0.161 4.308 4.470 -0.001 0.000 0.220 1279 S C 1.944 176.584 174.600 0.067 0.000 1.035 1279 S CA 1.954 60.244 58.200 0.150 0.000 1.031 1279 S CB -0.433 62.968 63.200 0.334 0.000 0.928 1279 S HN 0.324 nan 8.310 nan 0.000 0.433 1280 V N 3.917 123.873 119.914 0.071 0.000 2.261 1280 V HA -0.093 4.026 4.120 -0.001 0.000 0.246 1280 V C -0.594 175.381 176.094 -0.197 0.000 1.047 1280 V CA 2.130 64.431 62.300 0.001 0.000 1.015 1280 V CB -1.641 30.256 31.823 0.124 0.000 0.642 1280 V HN 0.541 nan 8.190 nan 0.000 0.446 1281 P HA -0.103 nan 4.420 nan 0.000 0.221 1281 P C 1.721 178.865 177.300 -0.261 0.000 1.150 1281 P CA 1.360 64.098 63.100 -0.603 0.000 0.800 1281 P CB -0.165 30.873 31.700 -1.104 0.000 0.787 1282 C N -0.002 119.198 119.300 -0.166 0.000 2.466 1282 C HA 0.123 4.583 4.460 -0.001 0.000 0.278 1282 C C 3.171 178.145 174.990 -0.027 0.000 1.288 1282 C CA 1.177 60.154 59.018 -0.067 0.000 1.722 1282 C CB -1.592 26.136 27.740 -0.020 0.000 2.017 1282 C HN 0.245 nan 8.230 nan 0.000 0.488 1283 A N 0.129 122.929 122.820 -0.034 0.000 1.930 1283 A HA -0.108 4.212 4.320 -0.001 0.000 0.217 1283 A C 2.012 179.526 177.584 -0.116 0.000 1.175 1283 A CA 1.489 53.485 52.037 -0.067 0.000 0.627 1283 A CB -0.628 18.337 19.000 -0.057 0.000 0.815 1283 A HN 0.492 nan 8.150 nan 0.000 0.443 1284 L N 0.455 121.613 121.223 -0.110 0.000 2.017 1284 L HA -0.174 4.165 4.340 -0.001 0.000 0.208 1284 L C 1.956 178.730 176.870 -0.161 0.000 1.073 1284 L CA 2.871 57.634 54.840 -0.127 0.000 0.745 1284 L CB -0.742 41.285 42.059 -0.054 0.000 0.894 1284 L HN 0.485 nan 8.230 nan 0.000 0.432 1285 D N -0.888 119.437 120.400 -0.124 0.000 2.123 1285 D HA -0.276 4.364 4.640 -0.001 0.000 0.196 1285 D C 2.132 178.355 176.300 -0.127 0.000 0.992 1285 D CA 1.517 55.449 54.000 -0.113 0.000 0.833 1285 D CB -0.074 40.675 40.800 -0.084 0.000 0.954 1285 D HN 0.589 nan 8.370 nan 0.000 0.455 1286 E N -0.593 119.536 120.200 -0.119 0.000 2.051 1286 E HA -0.186 4.163 4.350 -0.001 0.000 0.192 1286 E C 1.940 178.431 176.600 -0.182 0.000 0.991 1286 E CA 1.079 57.406 56.400 -0.122 0.000 0.799 1286 E CB -0.212 29.426 29.700 -0.104 0.000 0.748 1286 E HN 0.330 nan 8.360 nan 0.000 0.449 1287 A N 0.307 122.976 122.820 -0.251 0.000 2.066 1287 A HA -0.058 4.262 4.320 -0.001 0.000 0.218 1287 A C 2.264 179.630 177.584 -0.363 0.000 1.157 1287 A CA 0.897 52.714 52.037 -0.367 0.000 0.670 1287 A CB -0.186 18.492 19.000 -0.537 0.000 0.804 1287 A HN 0.227 nan 8.150 nan 0.000 0.453 1288 V N -0.278 119.450 119.914 -0.310 0.000 2.346 1288 V HA -0.168 3.952 4.120 -0.001 0.000 0.244 1288 V C 2.549 178.526 176.094 -0.195 0.000 1.037 1288 V CA 1.937 64.059 62.300 -0.297 0.000 1.029 1288 V CB -0.634 31.023 31.823 -0.277 0.000 0.663 1288 V HN 0.521 nan 8.190 nan 0.000 0.454 1289 R N 0.929 121.336 120.500 -0.154 0.000 2.148 1289 R HA -0.114 4.225 4.340 -0.001 0.000 0.223 1289 R C 1.604 177.846 176.300 -0.097 0.000 1.088 1289 R CA 1.481 57.517 56.100 -0.108 0.000 0.985 1289 R CB -0.263 29.986 30.300 -0.086 0.000 0.880 1289 R HN 0.747 nan 8.270 nan 0.000 0.451 1290 D N -1.430 118.900 120.400 -0.117 0.000 2.328 1290 D HA 0.073 4.712 4.640 -0.001 0.000 0.221 1290 D C 1.031 177.277 176.300 -0.089 0.000 1.072 1290 D CA 0.627 54.571 54.000 -0.093 0.000 0.850 1290 D CB 0.491 41.234 40.800 -0.095 0.000 0.922 1290 D HN 0.203 nan 8.370 nan 0.000 0.516 1291 G N 0.602 109.337 108.800 -0.109 0.000 2.176 1291 G HA2 -0.387 3.573 3.960 -0.001 0.000 0.253 1291 G HA3 -0.387 3.573 3.960 -0.001 0.000 0.253 1291 G C 1.270 176.121 174.900 -0.081 0.000 0.979 1291 G CA 0.258 45.309 45.100 -0.082 0.000 0.641 1291 G HN 0.395 nan 8.290 nan 0.000 0.530 1292 R N -0.308 120.092 120.500 -0.168 0.000 2.066 1292 R HA 0.181 4.521 4.340 -0.001 0.000 0.232 1292 R C 1.263 177.439 176.300 -0.207 0.000 1.131 1292 R CA 1.060 57.051 56.100 -0.183 0.000 0.955 1292 R CB -0.065 29.913 30.300 -0.537 0.000 0.851 1292 R HN 0.495 nan 8.270 nan 0.000 0.432 1293 I N 2.266 122.572 120.570 -0.441 0.000 2.337 1293 I HA 0.053 4.222 4.170 -0.001 0.000 0.291 1293 I C -0.193 175.837 176.117 -0.144 0.000 1.046 1293 I CA 0.160 61.240 61.300 -0.366 0.000 1.324 1293 I CB 0.980 38.613 38.000 -0.613 0.000 1.409 1293 I HN 0.031 nan 8.210 nan 0.000 0.494 1294 K N 7.868 128.297 120.400 0.048 0.000 2.221 1294 K HA 0.503 4.823 4.320 -0.001 0.000 0.243 1294 K C -2.461 174.201 176.600 0.103 0.000 0.968 1294 K CA -1.812 54.512 56.287 0.061 0.000 0.846 1294 K CB 1.088 33.647 32.500 0.099 0.000 1.141 1294 K HN 0.286 nan 8.250 nan 0.000 0.434 1295 P HA -0.077 nan 4.420 nan 0.000 0.264 1295 P C 0.451 177.823 177.300 0.120 0.000 1.193 1295 P CA 0.823 63.997 63.100 0.123 0.000 0.763 1295 P CB 0.602 32.353 31.700 0.085 0.000 0.810 1296 G N 1.939 110.822 108.800 0.139 0.000 2.213 1296 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.236 1296 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.236 1296 G C 0.143 175.120 174.900 0.128 0.000 0.991 1296 G CA -0.297 44.866 45.100 0.105 0.000 0.629 1296 G HN 0.593 nan 8.290 nan 0.000 0.517 1297 Q N -0.141 119.775 119.800 0.193 0.000 2.306 1297 Q HA 0.605 4.945 4.340 -0.001 0.000 0.241 1297 Q C 0.011 176.164 176.000 0.254 0.000 0.948 1297 Q CA -0.393 55.542 55.803 0.220 0.000 0.886 1297 Q CB 1.588 30.505 28.738 0.298 0.000 1.227 1297 Q HN 0.294 nan 8.270 nan 0.000 0.457 1298 L N 2.817 124.163 121.223 0.204 0.000 2.257 1298 L HA 0.391 4.731 4.340 -0.001 0.000 0.290 1298 L C -1.141 175.885 176.870 0.260 0.000 1.044 1298 L CA -0.508 54.440 54.840 0.180 0.000 0.810 1298 L CB 1.137 43.259 42.059 0.104 0.000 1.193 1298 L HN 0.395 nan 8.230 nan 0.000 0.425 1299 V N 6.243 126.341 119.914 0.307 0.000 2.495 1299 V HA 0.428 4.547 4.120 -0.001 0.000 0.298 1299 V C -0.198 176.049 176.094 0.256 0.000 1.031 1299 V CA -0.605 61.908 62.300 0.354 0.000 0.871 1299 V CB 2.303 34.434 31.823 0.513 0.000 0.988 1299 V HN 0.577 nan 8.190 nan 0.000 0.432 1300 L N 5.706 127.067 121.223 0.230 0.000 2.325 1300 L HA 0.608 4.947 4.340 -0.001 0.000 0.281 1300 L C -0.944 176.044 176.870 0.196 0.000 1.004 1300 L CA -0.398 54.554 54.840 0.187 0.000 0.823 1300 L CB 1.225 43.373 42.059 0.149 0.000 1.236 1300 L HN 0.538 nan 8.230 nan 0.000 0.415 1301 L N 5.008 126.354 121.223 0.204 0.000 2.307 1301 L HA 0.578 4.917 4.340 -0.001 0.000 0.282 1301 L C -0.295 176.704 176.870 0.215 0.000 1.051 1301 L CA -0.449 54.521 54.840 0.216 0.000 0.804 1301 L CB 1.533 43.746 42.059 0.258 0.000 1.197 1301 L HN 0.632 nan 8.230 nan 0.000 0.431 1302 E N 2.529 122.860 120.200 0.218 0.000 2.413 1302 E HA 0.888 5.237 4.350 -0.001 0.000 0.277 1302 E C -1.738 175.021 176.600 0.265 0.000 0.958 1302 E CA -1.092 55.449 56.400 0.235 0.000 0.779 1302 E CB 2.509 32.331 29.700 0.203 0.000 1.278 1302 E HN 0.623 nan 8.360 nan 0.000 0.456 1303 A N 1.453 124.453 122.820 0.301 0.000 2.605 1303 A HA 0.701 5.021 4.320 -0.001 0.000 0.294 1303 A C -2.118 175.679 177.584 0.356 0.000 1.062 1303 A CA -0.737 51.487 52.037 0.311 0.000 0.682 1303 A CB 1.373 20.515 19.000 0.237 0.000 1.278 1303 A HN 0.616 nan 8.150 nan 0.000 0.410 1304 F N 0.718 120.742 119.950 0.124 0.000 2.578 1304 F HA 0.805 5.331 4.527 -0.001 0.000 0.311 1304 F C 0.189 175.980 175.800 -0.015 0.000 1.094 1304 F CA 0.573 58.623 58.000 0.083 0.000 0.923 1304 F CB 2.153 41.108 39.000 -0.076 0.000 1.230 1304 F HN 1.232 nan 8.300 nan 0.000 0.450 1305 G N 1.838 110.243 108.800 -0.658 0.000 2.606 1305 G HA2 0.453 4.412 3.960 -0.001 0.000 0.300 1305 G HA3 0.453 4.412 3.960 -0.001 0.000 0.300 1305 G C -0.746 173.951 174.900 -0.339 0.000 1.360 1305 G CA -0.371 44.513 45.100 -0.359 0.000 0.783 1305 G HN 1.014 nan 8.290 nan 0.000 0.484 1306 G N -1.428 107.343 108.800 -0.049 0.000 2.368 1306 G HA2 0.491 4.451 3.960 -0.001 0.000 0.233 1306 G HA3 0.491 4.451 3.960 -0.001 0.000 0.233 1306 G C 1.046 176.025 174.900 0.131 0.000 1.267 1306 G CA 1.301 46.477 45.100 0.127 0.000 0.873 1306 G HN 2.034 nan 8.290 nan 0.000 0.539 1307 G N 1.337 110.309 108.800 0.288 0.000 4.278 1307 G HA2 -0.063 3.897 3.960 -0.001 0.000 0.160 1307 G HA3 -0.063 3.897 3.960 -0.001 0.000 0.160 1307 G C 0.093 175.133 174.900 0.234 0.000 2.002 1307 G CA -0.532 44.684 45.100 0.194 0.000 1.013 1307 G HN 0.520 nan 8.290 nan 0.000 0.315 1308 F N 3.169 123.240 119.950 0.201 0.000 2.450 1308 F HA 0.626 5.152 4.527 -0.001 0.000 0.339 1308 F C 1.134 176.997 175.800 0.104 0.000 1.146 1308 F CA -0.017 58.033 58.000 0.083 0.000 1.267 1308 F CB 1.249 40.343 39.000 0.157 0.000 1.178 1308 F HN 0.376 nan 8.300 nan 0.000 0.585 1309 T N -0.628 113.998 114.554 0.119 0.000 2.903 1309 T HA 0.735 5.085 4.350 -0.001 0.000 0.299 1309 T C -1.388 173.470 174.700 0.263 0.000 1.093 1309 T CA -0.926 61.235 62.100 0.103 0.000 1.002 1309 T CB 1.958 70.734 68.868 -0.153 0.000 1.127 1309 T HN 0.703 nan 8.240 nan 0.000 0.488 1310 W N -0.214 121.183 121.300 0.161 0.000 3.248 1310 W HA 0.804 5.463 4.660 -0.001 0.000 0.311 1310 W C -0.745 175.960 176.519 0.311 0.000 1.258 1310 W CA -1.061 56.415 57.345 0.217 0.000 1.191 1310 W CB 0.924 30.572 29.460 0.312 0.000 1.389 1310 W HN 1.093 nan 8.180 nan 0.000 0.561 1311 G N 0.666 109.729 108.800 0.438 0.000 2.576 1311 G HA2 0.708 4.667 3.960 -0.001 0.000 0.290 1311 G HA3 0.708 4.667 3.960 -0.001 0.000 0.290 1311 G C -1.367 173.686 174.900 0.254 0.000 1.442 1311 G CA -0.360 44.874 45.100 0.224 0.000 0.792 1311 G HN 1.396 nan 8.290 nan 0.000 0.491 1312 S N -1.613 114.203 115.700 0.193 0.000 2.625 1312 S HA 0.948 5.418 4.470 -0.001 0.000 0.271 1312 S C -0.780 173.927 174.600 0.178 0.000 1.161 1312 S CA -0.089 58.239 58.200 0.212 0.000 0.820 1312 S CB 1.771 65.111 63.200 0.234 0.000 1.137 1312 S HN 2.477 nan 8.310 nan 0.000 0.470 1313 A N 0.576 123.504 122.820 0.179 0.000 2.459 1313 A HA 0.732 5.052 4.320 -0.001 0.000 0.296 1313 A C -1.685 175.989 177.584 0.149 0.000 1.039 1313 A CA -0.555 51.565 52.037 0.139 0.000 0.698 1313 A CB 1.443 20.505 19.000 0.103 0.000 1.261 1313 A HN 1.213 nan 8.150 nan 0.000 0.405 1314 L N 3.106 124.408 121.223 0.131 0.000 2.287 1314 L HA 0.751 5.091 4.340 -0.001 0.000 0.287 1314 L C -1.059 175.839 176.870 0.046 0.000 1.022 1314 L CA -0.219 54.686 54.840 0.109 0.000 0.814 1314 L CB 1.571 43.700 42.059 0.117 0.000 1.217 1314 L HN 0.474 nan 8.230 nan 0.000 0.420 1315 V N 4.978 124.906 119.914 0.024 0.000 2.531 1315 V HA 0.537 4.657 4.120 -0.001 0.000 0.301 1315 V C -0.288 175.715 176.094 -0.152 0.000 1.034 1315 V CA -0.805 61.411 62.300 -0.140 0.000 0.865 1315 V CB 1.685 33.321 31.823 -0.310 0.000 0.995 1315 V HN 0.704 nan 8.190 nan 0.000 0.424 1316 R N 3.487 123.867 120.500 -0.200 0.000 2.198 1316 R HA 0.579 4.918 4.340 -0.001 0.000 0.339 1316 R C -1.017 175.166 176.300 -0.195 0.000 1.020 1316 R CA -0.102 55.938 56.100 -0.100 0.000 0.864 1316 R CB 0.303 30.553 30.300 -0.083 0.000 1.105 1316 R HN 0.523 nan 8.270 nan 0.000 0.463 1317 F N 0.000 119.980 119.950 0.050 0.000 2.286 1317 F HA 0.000 4.527 4.527 -0.001 0.000 0.279 1317 F CA 0.000 58.026 58.000 0.044 0.000 1.383 1317 F CB 0.000 39.029 39.000 0.049 0.000 1.145 1317 F HN 0.000 nan 8.300 nan 0.000 0.574