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 1rqq_1_B DATA FIRST_RESID 987 DATA SEQUENCE DEWEVSREKI TLLRELGQGS FGMVYEGNAR DIIKGEAETR VAVKTVNESA DATA SEQUENCE SLRERIEFLN EASVMKGFTC HHVVRLLGVV SKGQPTLVVM ELMAHGDLKS DATA SEQUENCE YLRSLRPEAE NNPGRPPPTL QEMIQMAAEI ADGMAYLNAK KFVHRDLAAR DATA SEQUENCE NCMVAHDFTV KIGDFGMTRD IXETDXXRKG GKGLLPVRWM APESLKDGVF DATA SEQUENCE TTSSDMWSFG VVLWEITSLA EQPYQGLSNE QVLKFVMDGG YLDQPDNCPE DATA SEQUENCE RVTDLMRMCW QFNPNMRPTF LEIVNLLKDD LHPSFPEVSF FHSEENK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 987 D HA 0.000 nan 4.640 nan 0.000 0.175 987 D C 0.000 176.349 176.300 0.081 0.000 2.045 987 D CA 0.000 54.066 54.000 0.111 0.000 0.868 987 D CB 0.000 40.835 40.800 0.059 0.000 0.688 988 E N 0.059 120.287 120.200 0.047 0.000 2.472 988 E HA -0.074 4.278 4.350 0.003 0.000 0.200 988 E C 1.081 177.546 176.600 -0.226 0.000 1.046 988 E CA 0.849 57.179 56.400 -0.117 0.000 0.871 988 E CB -1.005 28.572 29.700 -0.204 0.000 0.806 988 E HN 0.525 nan 8.360 nan 0.000 0.533 989 W N 0.005 121.286 121.300 -0.031 0.000 3.211 989 W HA 0.347 5.010 4.660 0.004 0.000 0.292 989 W C 0.757 177.260 176.519 -0.027 0.000 1.268 989 W CA -0.320 57.004 57.345 -0.034 0.000 1.702 989 W CB 0.592 30.022 29.460 -0.049 0.000 1.092 989 W HN 0.117 nan 8.180 nan 0.000 0.643 990 E N 1.564 121.854 120.200 0.151 0.000 2.413 990 E HA 0.213 4.565 4.350 0.003 0.000 0.263 990 E C -0.325 176.310 176.600 0.059 0.000 1.015 990 E CA 0.181 56.636 56.400 0.092 0.000 0.916 990 E CB 0.634 30.368 29.700 0.056 0.000 0.947 990 E HN -0.034 nan 8.360 nan 0.000 0.440 991 V N 0.900 120.846 119.914 0.054 0.000 2.760 991 V HA 0.538 4.660 4.120 0.003 0.000 0.309 991 V C -0.388 175.721 176.094 0.025 0.000 1.077 991 V CA -1.069 61.252 62.300 0.035 0.000 0.910 991 V CB 1.987 33.836 31.823 0.044 0.000 1.008 991 V HN 0.595 nan 8.190 nan 0.000 0.424 992 S N 2.963 118.672 115.700 0.014 0.000 2.525 992 S HA 0.164 4.636 4.470 0.003 0.000 0.285 992 S C 1.110 175.715 174.600 0.008 0.000 1.283 992 S CA -0.032 58.173 58.200 0.009 0.000 1.072 992 S CB 0.456 63.658 63.200 0.002 0.000 0.867 992 S HN 0.942 nan 8.310 nan 0.000 0.492 993 R N 1.811 122.315 120.500 0.007 0.000 2.303 993 R HA -0.144 4.198 4.340 0.003 0.000 0.225 993 R C 0.757 177.054 176.300 -0.005 0.000 1.114 993 R CA 1.262 57.363 56.100 0.002 0.000 1.007 993 R CB -0.013 30.287 30.300 -0.001 0.000 0.861 993 R HN 0.604 nan 8.270 nan 0.000 0.471 994 E N -0.089 120.109 120.200 -0.004 0.000 2.230 994 E HA -0.075 4.277 4.350 0.003 0.000 0.192 994 E C 1.270 177.866 176.600 -0.005 0.000 0.987 994 E CA 0.801 57.198 56.400 -0.006 0.000 0.841 994 E CB 0.210 29.907 29.700 -0.005 0.000 0.783 994 E HN 0.075 nan 8.360 nan 0.000 0.481 995 K N 0.057 120.455 120.400 -0.002 0.000 2.486 995 K HA 0.070 4.393 4.320 0.003 0.000 0.194 995 K C -0.057 176.543 176.600 -0.000 0.000 1.033 995 K CA 0.368 56.654 56.287 -0.001 0.000 1.004 995 K CB 0.296 32.797 32.500 0.002 0.000 0.798 995 K HN 0.065 nan 8.250 nan 0.000 0.495 996 I N 1.029 121.598 120.570 -0.003 0.000 2.412 996 I HA 0.244 4.416 4.170 0.003 0.000 0.296 996 I C -0.034 176.073 176.117 -0.016 0.000 0.987 996 I CA -0.677 60.620 61.300 -0.006 0.000 1.180 996 I CB 1.338 39.335 38.000 -0.005 0.000 1.340 996 I HN -0.044 nan 8.210 nan 0.000 0.455 997 T N 4.154 118.698 114.554 -0.016 0.000 3.011 997 T HA 0.613 4.965 4.350 0.003 0.000 0.303 997 T C -0.604 174.084 174.700 -0.020 0.000 0.997 997 T CA -0.753 61.334 62.100 -0.021 0.000 1.007 997 T CB 0.990 69.852 68.868 -0.011 0.000 1.017 997 T HN 0.313 nan 8.240 nan 0.000 0.443 998 L N 4.590 125.787 121.223 -0.043 0.000 2.319 998 L HA 0.309 4.651 4.340 0.003 0.000 0.280 998 L C 0.907 177.787 176.870 0.016 0.000 1.099 998 L CA -1.017 53.805 54.840 -0.030 0.000 0.828 998 L CB 0.810 42.785 42.059 -0.140 0.000 1.150 998 L HN 0.543 nan 8.230 nan 0.000 0.442 999 L N 3.083 124.337 121.223 0.051 0.000 2.194 999 L HA 0.199 4.541 4.340 0.003 0.000 0.197 999 L C 1.145 178.060 176.870 0.074 0.000 1.106 999 L CA 1.401 56.270 54.840 0.049 0.000 0.785 999 L CB -0.205 41.876 42.059 0.038 0.000 0.960 999 L HN 0.784 nan 8.230 nan 0.000 0.465 1000 R N -0.646 119.915 120.500 0.102 0.000 3.003 1000 R HA 0.496 4.838 4.340 0.003 0.000 0.251 1000 R C -0.921 175.462 176.300 0.138 0.000 1.265 1000 R CA -0.825 55.336 56.100 0.102 0.000 1.026 1000 R CB 1.206 31.535 30.300 0.049 0.000 1.307 1000 R HN -0.106 nan 8.270 nan 0.000 0.475 1001 E N 0.521 120.743 120.200 0.037 0.000 2.156 1001 E HA 0.230 4.582 4.350 0.003 0.000 0.279 1001 E C 0.190 176.730 176.600 -0.101 0.000 0.965 1001 E CA -0.377 55.946 56.400 -0.127 0.000 0.789 1001 E CB 1.988 31.571 29.700 -0.195 0.000 1.098 1001 E HN 0.420 nan 8.360 nan 0.000 0.397 1002 L N 1.563 122.712 121.223 -0.123 0.000 2.168 1002 L HA 0.261 4.603 4.340 0.003 0.000 0.203 1002 L C 0.979 177.797 176.870 -0.086 0.000 1.078 1002 L CA 0.430 55.227 54.840 -0.071 0.000 0.780 1002 L CB 0.279 42.313 42.059 -0.042 0.000 0.939 1002 L HN 0.632 nan 8.230 nan 0.000 0.451 1003 G N -0.892 107.827 108.800 -0.137 0.000 2.411 1003 G HA2 0.193 4.155 3.960 0.003 0.000 0.295 1003 G HA3 0.193 4.155 3.960 0.003 0.000 0.295 1003 G C -1.945 172.863 174.900 -0.154 0.000 1.542 1003 G CA -0.576 44.454 45.100 -0.117 0.000 0.814 1003 G HN -0.126 nan 8.290 nan 0.000 0.557 1004 Q N -0.129 119.595 119.800 -0.126 0.000 2.261 1004 Q HA 0.591 4.933 4.340 0.003 0.000 0.252 1004 Q C 0.556 176.480 176.000 -0.128 0.000 0.915 1004 Q CA -0.227 55.498 55.803 -0.130 0.000 0.915 1004 Q CB 1.175 29.856 28.738 -0.096 0.000 1.204 1004 Q HN 0.840 nan 8.270 nan 0.000 0.421 1005 G N 0.657 109.362 108.800 -0.158 0.000 2.491 1005 G HA2 0.237 4.199 3.960 0.003 0.000 0.327 1005 G HA3 0.237 4.199 3.960 0.003 0.000 0.327 1005 G C 0.681 175.433 174.900 -0.245 0.000 1.189 1005 G CA -0.118 44.849 45.100 -0.222 0.000 0.956 1005 G HN 0.793 nan 8.290 nan 0.000 0.491 1006 S N -0.571 114.929 115.700 -0.333 0.000 2.402 1006 S HA -0.162 4.310 4.470 0.003 0.000 0.233 1006 S C 1.062 175.605 174.600 -0.096 0.000 1.030 1006 S CA 1.928 59.998 58.200 -0.217 0.000 1.003 1006 S CB -0.405 62.680 63.200 -0.192 0.000 0.813 1006 S HN 1.125 nan 8.310 nan 0.000 0.477 1007 F N -1.065 118.869 119.950 -0.028 0.000 2.802 1007 F HA 0.816 5.345 4.527 0.003 0.000 0.346 1007 F C 0.226 175.970 175.800 -0.093 0.000 1.229 1007 F CA -1.121 56.849 58.000 -0.051 0.000 1.142 1007 F CB 0.300 39.272 39.000 -0.046 0.000 1.146 1007 F HN 0.305 nan 8.300 nan 0.000 0.510 1008 G N 0.451 109.220 108.800 -0.052 0.000 2.550 1008 G HA2 0.558 4.520 3.960 0.003 0.000 0.293 1008 G HA3 0.558 4.520 3.960 0.003 0.000 0.293 1008 G C -2.190 172.663 174.900 -0.079 0.000 1.402 1008 G CA -0.996 44.078 45.100 -0.042 0.000 0.784 1008 G HN 0.205 nan 8.290 nan 0.000 0.482 1009 M N 0.525 120.103 119.600 -0.037 0.000 2.465 1009 M HA 0.731 5.213 4.480 0.003 0.000 0.316 1009 M C -1.240 174.968 176.300 -0.153 0.000 1.121 1009 M CA -0.704 54.493 55.300 -0.172 0.000 0.934 1009 M CB 2.246 34.681 32.600 -0.276 0.000 1.692 1009 M HN 0.366 nan 8.290 nan 0.000 0.444 1010 V N 5.931 125.698 119.914 -0.245 0.000 2.370 1010 V HA 0.482 4.604 4.120 0.003 0.000 0.283 1010 V C -1.160 174.814 176.094 -0.200 0.000 1.023 1010 V CA -0.434 61.813 62.300 -0.087 0.000 0.857 1010 V CB 0.696 32.491 31.823 -0.047 0.000 0.985 1010 V HN 0.793 nan 8.190 nan 0.000 0.443 1011 Y N 1.815 122.125 120.300 0.016 0.000 2.549 1011 Y HA 0.576 5.128 4.550 0.003 0.000 0.339 1011 Y C 0.328 176.234 175.900 0.010 0.000 1.053 1011 Y CA -1.113 56.994 58.100 0.011 0.000 1.105 1011 Y CB 1.351 39.819 38.460 0.014 0.000 1.258 1011 Y HN 0.618 nan 8.280 nan 0.000 0.478 1012 E N 0.393 120.694 120.200 0.168 0.000 2.222 1012 E HA 0.708 5.060 4.350 0.003 0.000 0.272 1012 E C -0.483 176.172 176.600 0.092 0.000 0.982 1012 E CA -0.518 55.937 56.400 0.092 0.000 0.842 1012 E CB 1.482 31.210 29.700 0.047 0.000 1.144 1012 E HN 0.897 nan 8.360 nan 0.000 0.397 1013 G N 2.109 110.942 108.800 0.055 0.000 2.489 1013 G HA2 0.247 4.209 3.960 0.003 0.000 0.305 1013 G HA3 0.247 4.209 3.960 0.003 0.000 0.305 1013 G C -1.567 173.345 174.900 0.020 0.000 1.311 1013 G CA -0.862 44.260 45.100 0.036 0.000 0.813 1013 G HN 0.561 nan 8.290 nan 0.000 0.480 1014 N N -0.867 117.839 118.700 0.011 0.000 2.292 1014 N HA 0.751 5.494 4.740 0.003 0.000 0.303 1014 N C -0.630 174.884 175.510 0.006 0.000 1.140 1014 N CA -0.049 53.004 53.050 0.005 0.000 0.788 1014 N CB 2.259 40.746 38.487 0.000 0.000 1.361 1014 N HN 0.865 nan 8.380 nan 0.000 0.489 1015 A N 0.319 123.142 122.820 0.006 0.000 2.353 1015 A HA 0.796 5.118 4.320 0.003 0.000 0.299 1015 A C -0.418 177.168 177.584 0.003 0.000 1.089 1015 A CA -0.668 51.374 52.037 0.008 0.000 0.736 1015 A CB 0.577 19.587 19.000 0.016 0.000 1.195 1015 A HN 0.723 nan 8.150 nan 0.000 0.447 1016 R N 2.209 122.709 120.500 0.001 0.000 2.265 1016 R HA 0.570 4.912 4.340 0.003 0.000 0.314 1016 R C 0.234 176.532 176.300 -0.004 0.000 1.053 1016 R CA 0.283 56.382 56.100 -0.003 0.000 0.931 1016 R CB -0.204 30.093 30.300 -0.004 0.000 1.024 1016 R HN 1.272 nan 8.270 nan 0.000 0.457 1017 D N 1.409 121.805 120.400 -0.007 0.000 2.697 1017 D HA -0.162 4.480 4.640 0.003 0.000 0.235 1017 D C 0.616 176.910 176.300 -0.010 0.000 1.167 1017 D CA 1.541 55.534 54.000 -0.010 0.000 0.656 1017 D CB -0.881 39.911 40.800 -0.013 0.000 1.025 1017 D HN 0.753 nan 8.370 nan 0.000 0.419 1018 I N -2.465 118.104 120.570 -0.003 0.000 3.228 1018 I HA 0.270 4.442 4.170 0.003 0.000 0.279 1018 I C 0.976 177.091 176.117 -0.004 0.000 1.221 1018 I CA 0.303 61.605 61.300 0.003 0.000 1.458 1018 I CB 0.088 38.102 38.000 0.022 0.000 1.105 1018 I HN 0.126 nan 8.210 nan 0.000 0.445 1019 I N 1.894 122.461 120.570 -0.006 0.000 2.439 1019 I HA 0.425 4.597 4.170 0.003 0.000 0.285 1019 I C 0.455 176.561 176.117 -0.017 0.000 1.021 1019 I CA -0.818 60.476 61.300 -0.011 0.000 1.091 1019 I CB 1.369 39.369 38.000 -0.001 0.000 1.242 1019 I HN 0.087 nan 8.210 nan 0.000 0.439 1020 K N 4.242 124.626 120.400 -0.027 0.000 2.491 1020 K HA 0.378 4.700 4.320 0.003 0.000 0.279 1020 K C 1.092 177.681 176.600 -0.019 0.000 1.026 1020 K CA 0.653 56.924 56.287 -0.026 0.000 1.070 1020 K CB -0.391 32.089 32.500 -0.034 0.000 0.887 1020 K HN 1.166 nan 8.250 nan 0.000 0.481 1021 G N 0.686 109.476 108.800 -0.017 0.000 2.201 1021 G HA2 -0.156 3.806 3.960 0.003 0.000 0.212 1021 G HA3 -0.156 3.806 3.960 0.003 0.000 0.212 1021 G C -0.038 174.855 174.900 -0.012 0.000 0.994 1021 G CA 0.202 45.294 45.100 -0.013 0.000 0.644 1021 G HN 0.747 nan 8.290 nan 0.000 0.508 1022 E N -0.071 120.121 120.200 -0.012 0.000 2.224 1022 E HA 0.647 4.999 4.350 0.003 0.000 0.265 1022 E C 1.077 177.671 176.600 -0.011 0.000 0.878 1022 E CA -0.100 56.293 56.400 -0.011 0.000 0.759 1022 E CB 1.696 31.390 29.700 -0.010 0.000 1.164 1022 E HN 0.318 nan 8.360 nan 0.000 0.414 1023 A N 3.332 126.146 122.820 -0.011 0.000 1.832 1023 A HA -0.025 4.297 4.320 0.003 0.000 0.214 1023 A C 1.008 178.587 177.584 -0.009 0.000 1.200 1023 A CA 1.884 53.915 52.037 -0.010 0.000 0.610 1023 A CB -0.304 18.689 19.000 -0.010 0.000 0.842 1023 A HN 0.646 nan 8.150 nan 0.000 0.444 1024 E N -1.373 118.821 120.200 -0.009 0.000 2.266 1024 E HA 0.600 4.952 4.350 0.003 0.000 0.268 1024 E C -0.975 175.620 176.600 -0.009 0.000 0.879 1024 E CA -0.350 56.046 56.400 -0.008 0.000 0.762 1024 E CB 1.424 31.119 29.700 -0.008 0.000 1.199 1024 E HN 0.263 nan 8.360 nan 0.000 0.422 1025 T N 2.344 116.894 114.554 -0.006 0.000 2.848 1025 T HA 0.485 4.837 4.350 0.003 0.000 0.285 1025 T C -0.062 174.635 174.700 -0.005 0.000 0.995 1025 T CA -0.749 61.347 62.100 -0.007 0.000 0.970 1025 T CB 0.636 69.504 68.868 -0.000 0.000 0.976 1025 T HN 0.601 nan 8.240 nan 0.000 0.441 1026 R N 1.732 122.225 120.500 -0.012 0.000 2.442 1026 R HA 0.634 4.976 4.340 0.003 0.000 0.291 1026 R C -0.023 176.277 176.300 -0.001 0.000 1.069 1026 R CA -0.639 55.455 56.100 -0.009 0.000 1.022 1026 R CB 0.053 30.340 30.300 -0.023 0.000 0.976 1026 R HN 0.430 nan 8.270 nan 0.000 0.443 1027 V N -1.707 118.214 119.914 0.012 0.000 3.156 1027 V HA 0.923 5.045 4.120 0.003 0.000 0.310 1027 V C -0.679 175.435 176.094 0.034 0.000 1.234 1027 V CA -1.098 61.215 62.300 0.022 0.000 1.065 1027 V CB 1.741 33.582 31.823 0.030 0.000 1.088 1027 V HN 0.969 nan 8.190 nan 0.000 0.451 1028 A N 0.621 123.466 122.820 0.042 0.000 2.340 1028 A HA 0.934 5.256 4.320 0.003 0.000 0.331 1028 A C -0.411 177.224 177.584 0.085 0.000 1.140 1028 A CA -0.202 51.871 52.037 0.060 0.000 0.801 1028 A CB 1.559 20.585 19.000 0.044 0.000 1.234 1028 A HN 2.214 nan 8.150 nan 0.000 0.469 1029 V N -0.282 119.711 119.914 0.131 0.000 2.482 1029 V HA 0.549 4.671 4.120 0.003 0.000 0.295 1029 V C -0.591 175.645 176.094 0.236 0.000 1.026 1029 V CA -0.913 61.482 62.300 0.157 0.000 0.856 1029 V CB 0.981 32.881 31.823 0.128 0.000 1.001 1029 V HN 0.803 nan 8.190 nan 0.000 0.424 1030 K N 3.040 123.584 120.400 0.241 0.000 2.143 1030 K HA 0.779 5.101 4.320 0.003 0.000 0.272 1030 K C 0.205 177.061 176.600 0.426 0.000 1.001 1030 K CA -0.146 56.344 56.287 0.337 0.000 0.915 1030 K CB 1.988 34.732 32.500 0.405 0.000 1.047 1030 K HN 1.059 nan 8.250 nan 0.000 0.458 1031 T N -2.346 112.362 114.554 0.257 0.000 2.838 1031 T HA 0.586 4.938 4.350 0.003 0.000 0.292 1031 T C -0.559 173.953 174.700 -0.313 0.000 1.113 1031 T CA -0.934 61.182 62.100 0.026 0.000 1.008 1031 T CB 1.273 70.223 68.868 0.137 0.000 1.259 1031 T HN 0.293 nan 8.240 nan 0.000 0.520 1032 V N 0.475 120.153 119.914 -0.394 0.000 2.555 1032 V HA 0.689 4.811 4.120 0.003 0.000 0.302 1032 V C -0.129 175.900 176.094 -0.107 0.000 1.038 1032 V CA -1.306 60.804 62.300 -0.317 0.000 0.887 1032 V CB 1.269 32.808 31.823 -0.474 0.000 0.991 1032 V HN 1.109 nan 8.190 nan 0.000 0.434 1033 N N 2.480 121.164 118.700 -0.026 0.000 2.508 1033 N HA 0.212 4.954 4.740 0.003 0.000 0.264 1033 N C 1.030 176.527 175.510 -0.022 0.000 1.216 1033 N CA 0.350 53.399 53.050 -0.002 0.000 0.943 1033 N CB 1.124 39.626 38.487 0.024 0.000 1.113 1033 N HN 0.956 nan 8.380 nan 0.000 0.447 1034 E N 1.254 121.446 120.200 -0.013 0.000 2.130 1034 E HA -0.220 4.132 4.350 0.003 0.000 0.196 1034 E C 1.712 178.300 176.600 -0.020 0.000 0.998 1034 E CA 2.082 58.471 56.400 -0.019 0.000 0.806 1034 E CB -1.095 28.600 29.700 -0.009 0.000 0.738 1034 E HN 0.848 nan 8.360 nan 0.000 0.459 1035 S N -0.361 115.333 115.700 -0.010 0.000 2.660 1035 S HA 0.517 4.989 4.470 0.003 0.000 0.228 1035 S C 1.187 175.776 174.600 -0.018 0.000 0.966 1035 S CA 0.256 58.450 58.200 -0.010 0.000 0.940 1035 S CB -0.417 62.784 63.200 0.002 0.000 0.773 1035 S HN 0.924 nan 8.310 nan 0.000 0.535 1036 A N 2.487 125.287 122.820 -0.034 0.000 2.440 1036 A HA 0.544 4.866 4.320 0.003 0.000 0.251 1036 A C 0.787 178.313 177.584 -0.097 0.000 1.089 1036 A CA -0.234 51.761 52.037 -0.069 0.000 0.779 1036 A CB 0.072 19.005 19.000 -0.111 0.000 1.022 1036 A HN 0.680 nan 8.150 nan 0.000 0.492 1037 S N 1.968 117.599 115.700 -0.115 0.000 2.600 1037 S HA 0.244 4.716 4.470 0.003 0.000 0.265 1037 S C 0.976 175.498 174.600 -0.130 0.000 1.325 1037 S CA -0.256 57.883 58.200 -0.101 0.000 1.002 1037 S CB 0.575 63.725 63.200 -0.083 0.000 0.921 1037 S HN 0.877 nan 8.310 nan 0.000 0.554 1038 L N 1.723 122.893 121.223 -0.089 0.000 2.083 1038 L HA -0.003 4.339 4.340 0.003 0.000 0.209 1038 L C 3.190 180.000 176.870 -0.100 0.000 1.083 1038 L CA 2.445 57.236 54.840 -0.082 0.000 0.752 1038 L CB -1.394 40.634 42.059 -0.051 0.000 0.899 1038 L HN 0.932 nan 8.230 nan 0.000 0.433 1039 R N -0.178 120.261 120.500 -0.101 0.000 2.127 1039 R HA -0.155 4.187 4.340 0.003 0.000 0.238 1039 R C 2.017 178.213 176.300 -0.174 0.000 1.134 1039 R CA 1.895 57.933 56.100 -0.102 0.000 0.975 1039 R CB -1.392 28.862 30.300 -0.076 0.000 0.865 1039 R HN 0.690 nan 8.270 nan 0.000 0.447 1040 E N -0.294 119.730 120.200 -0.293 0.000 2.170 1040 E HA -0.042 4.310 4.350 0.003 0.000 0.191 1040 E C 2.362 178.640 176.600 -0.537 0.000 0.981 1040 E CA 0.651 56.669 56.400 -0.636 0.000 0.830 1040 E CB 0.035 29.175 29.700 -0.934 0.000 0.775 1040 E HN 0.561 nan 8.360 nan 0.000 0.470 1041 R N 0.573 120.904 120.500 -0.281 0.000 2.075 1041 R HA -0.075 4.267 4.340 0.003 0.000 0.232 1041 R C 2.231 178.536 176.300 0.009 0.000 1.126 1041 R CA 0.850 56.889 56.100 -0.102 0.000 0.963 1041 R CB -0.196 30.064 30.300 -0.066 0.000 0.858 1041 R HN 0.123 nan 8.270 nan 0.000 0.435 1042 I N 1.275 121.820 120.570 -0.041 0.000 2.226 1042 I HA -0.204 3.968 4.170 0.003 0.000 0.245 1042 I C 2.273 178.390 176.117 -0.000 0.000 1.100 1042 I CA 1.432 62.723 61.300 -0.016 0.000 1.374 1042 I CB -0.914 37.067 38.000 -0.033 0.000 1.057 1042 I HN 0.123 nan 8.210 nan 0.000 0.413 1043 E N 0.789 120.979 120.200 -0.016 0.000 2.051 1043 E HA -0.257 4.095 4.350 0.003 0.000 0.192 1043 E C 2.149 178.824 176.600 0.126 0.000 0.991 1043 E CA 1.238 57.660 56.400 0.038 0.000 0.799 1043 E CB -0.505 29.219 29.700 0.040 0.000 0.748 1043 E HN 0.328 nan 8.360 nan 0.000 0.449 1044 F N 0.545 120.502 119.950 0.012 0.000 2.095 1044 F HA -0.149 4.380 4.527 0.003 0.000 0.298 1044 F C 1.762 177.583 175.800 0.036 0.000 1.104 1044 F CA 1.463 59.527 58.000 0.107 0.000 1.232 1044 F CB -0.237 38.832 39.000 0.115 0.000 0.987 1044 F HN 0.037 nan 8.300 nan 0.000 0.475 1045 L N -0.027 121.205 121.223 0.016 0.000 2.291 1045 L HA -0.163 4.179 4.340 0.003 0.000 0.214 1045 L C 2.103 178.890 176.870 -0.138 0.000 1.120 1045 L CA 1.274 56.053 54.840 -0.102 0.000 0.799 1045 L CB -0.871 41.185 42.059 -0.004 0.000 0.925 1045 L HN 0.252 nan 8.230 nan 0.000 0.446 1046 N N 0.506 119.154 118.700 -0.085 0.000 2.106 1046 N HA -0.253 4.489 4.740 0.003 0.000 0.188 1046 N C 1.842 177.269 175.510 -0.137 0.000 1.029 1046 N CA 1.458 54.455 53.050 -0.089 0.000 0.848 1046 N CB 0.009 38.475 38.487 -0.036 0.000 1.007 1046 N HN 0.289 nan 8.380 nan 0.000 0.423 1047 E N -0.320 119.812 120.200 -0.113 0.000 2.070 1047 E HA -0.247 4.105 4.350 0.003 0.000 0.197 1047 E C 1.801 178.260 176.600 -0.234 0.000 1.004 1047 E CA 1.367 57.709 56.400 -0.096 0.000 0.805 1047 E CB -0.323 29.356 29.700 -0.035 0.000 0.744 1047 E HN 0.500 nan 8.360 nan 0.000 0.451 1048 A N 0.614 123.239 122.820 -0.324 0.000 1.865 1048 A HA -0.224 4.098 4.320 0.003 0.000 0.217 1048 A C 2.380 179.704 177.584 -0.434 0.000 1.191 1048 A CA 2.062 53.867 52.037 -0.387 0.000 0.623 1048 A CB -1.118 17.643 19.000 -0.399 0.000 0.826 1048 A HN 0.381 nan 8.150 nan 0.000 0.444 1049 S N -0.409 115.081 115.700 -0.350 0.000 2.369 1049 S HA -0.219 4.253 4.470 0.003 0.000 0.225 1049 S C 2.097 176.425 174.600 -0.455 0.000 1.043 1049 S CA 2.860 60.857 58.200 -0.339 0.000 1.074 1049 S CB -0.983 62.088 63.200 -0.214 0.000 0.962 1049 S HN 1.166 nan 8.310 nan 0.000 0.433 1050 V N 0.042 119.661 119.914 -0.491 0.000 2.490 1050 V HA -0.077 4.045 4.120 0.003 0.000 0.250 1050 V C 2.229 177.555 176.094 -1.280 0.000 1.061 1050 V CA 2.167 63.989 62.300 -0.797 0.000 1.064 1050 V CB -0.962 30.410 31.823 -0.751 0.000 0.670 1050 V HN 0.550 nan 8.190 nan 0.000 0.461 1051 M N -0.075 118.934 119.600 -0.984 0.000 2.374 1051 M HA -0.089 4.393 4.480 0.003 0.000 0.264 1051 M C 2.241 178.020 176.300 -0.868 0.000 1.067 1051 M CA 1.757 56.480 55.300 -0.962 0.000 1.103 1051 M CB -0.456 31.805 32.600 -0.565 0.000 1.402 1051 M HN 0.331 nan 8.290 nan 0.000 0.444 1052 K N 0.152 120.020 120.400 -0.886 0.000 2.113 1052 K HA -0.129 4.193 4.320 0.003 0.000 0.208 1052 K C 1.832 178.200 176.600 -0.386 0.000 1.047 1052 K CA 1.347 57.090 56.287 -0.905 0.000 0.928 1052 K CB -0.468 31.532 32.500 -0.833 0.000 0.716 1052 K HN 0.462 nan 8.250 nan 0.000 0.446 1053 G N 0.224 108.740 108.800 -0.473 0.000 3.088 1053 G HA2 0.038 4.000 3.960 0.003 0.000 0.212 1053 G HA3 0.038 4.000 3.960 0.003 0.000 0.212 1053 G C -0.172 174.763 174.900 0.057 0.000 1.173 1053 G CA -0.246 44.745 45.100 -0.182 0.000 0.779 1053 G HN -0.035 nan 8.290 nan 0.000 0.540 1054 F N 0.358 120.269 119.950 -0.064 0.000 2.422 1054 F HA 0.596 5.124 4.527 0.002 0.000 0.333 1054 F C 0.239 176.034 175.800 -0.008 0.000 1.095 1054 F CA -1.634 56.387 58.000 0.035 0.000 1.038 1054 F CB 2.022 40.952 39.000 -0.118 0.000 1.156 1054 F HN -0.294 nan 8.300 nan 0.000 0.483 1055 T N 1.722 116.361 114.554 0.141 0.000 3.201 1055 T HA 0.331 4.684 4.350 0.003 0.000 0.338 1055 T C -1.353 173.126 174.700 -0.368 0.000 1.095 1055 T CA -0.360 61.718 62.100 -0.036 0.000 1.426 1055 T CB 0.498 69.411 68.868 0.074 0.000 0.956 1055 T HN 0.730 nan 8.240 nan 0.000 0.551 1056 C N 2.108 121.147 119.300 -0.436 0.000 2.686 1056 C HA 0.502 4.964 4.460 0.003 0.000 0.318 1056 C C 1.538 176.375 174.990 -0.254 0.000 1.160 1056 C CA -0.464 58.243 59.018 -0.517 0.000 1.396 1056 C CB 0.845 28.015 27.740 -0.951 0.000 1.924 1056 C HN 1.068 nan 8.230 nan 0.000 0.471 1057 H N 1.216 120.084 119.070 -0.338 0.000 2.489 1057 H HA 0.005 4.563 4.556 0.003 0.000 0.293 1057 H C 0.970 176.048 175.328 -0.417 0.000 1.066 1057 H CA 2.059 57.870 56.048 -0.397 0.000 1.305 1057 H CB 0.008 29.439 29.762 -0.552 0.000 1.386 1057 H HN 0.846 nan 8.280 nan 0.000 0.551 1058 H N -1.432 117.590 119.070 -0.079 0.000 2.469 1058 H HA 0.375 4.932 4.556 0.003 0.000 0.286 1058 H C -0.810 174.477 175.328 -0.069 0.000 1.106 1058 H CA -0.303 55.703 56.048 -0.070 0.000 1.055 1058 H CB 0.789 30.559 29.762 0.015 0.000 1.618 1058 H HN -0.012 nan 8.280 nan 0.000 0.559 1059 V N 1.607 121.511 119.914 -0.018 0.000 2.525 1059 V HA 0.103 4.225 4.120 0.003 0.000 0.299 1059 V C 0.065 176.193 176.094 0.058 0.000 1.034 1059 V CA -1.066 61.265 62.300 0.051 0.000 0.863 1059 V CB 2.263 34.059 31.823 -0.045 0.000 0.999 1059 V HN 0.039 nan 8.190 nan 0.000 0.423 1060 V N 5.239 125.237 119.914 0.141 0.000 2.644 1060 V HA 0.017 4.139 4.120 0.003 0.000 0.305 1060 V C 0.790 176.944 176.094 0.099 0.000 1.053 1060 V CA 0.469 62.830 62.300 0.101 0.000 1.186 1060 V CB 0.211 32.112 31.823 0.129 0.000 0.895 1060 V HN 0.855 nan 8.190 nan 0.000 0.490 1061 R N 3.794 124.316 120.500 0.036 0.000 2.404 1061 R HA 0.487 4.829 4.340 0.003 0.000 0.291 1061 R C -0.596 175.715 176.300 0.019 0.000 1.025 1061 R CA -0.893 55.223 56.100 0.026 0.000 0.991 1061 R CB 1.014 31.328 30.300 0.024 0.000 1.053 1061 R HN 0.596 nan 8.270 nan 0.000 0.479 1062 L N 5.209 126.414 121.223 -0.030 0.000 2.331 1062 L HA 0.200 4.542 4.340 0.003 0.000 0.278 1062 L C -0.170 176.748 176.870 0.081 0.000 1.106 1062 L CA 0.460 55.249 54.840 -0.085 0.000 0.824 1062 L CB 1.102 42.943 42.059 -0.364 0.000 1.142 1062 L HN 0.835 nan 8.230 nan 0.000 0.443 1063 L N 4.105 125.393 121.223 0.107 0.000 2.467 1063 L HA 0.551 4.893 4.340 0.003 0.000 0.213 1063 L C 0.904 177.934 176.870 0.267 0.000 1.053 1063 L CA 0.434 55.387 54.840 0.188 0.000 0.847 1063 L CB 0.185 42.304 42.059 0.101 0.000 1.075 1063 L HN 0.839 nan 8.230 nan 0.000 0.479 1064 G N -0.820 108.103 108.800 0.205 0.000 2.356 1064 G HA2 0.480 4.442 3.960 0.003 0.000 0.294 1064 G HA3 0.480 4.442 3.960 0.003 0.000 0.294 1064 G C -2.040 172.931 174.900 0.117 0.000 1.423 1064 G CA -0.438 44.801 45.100 0.232 0.000 0.806 1064 G HN -0.278 nan 8.290 nan 0.000 0.527 1065 V N -0.833 119.155 119.914 0.124 0.000 2.971 1065 V HA 0.731 4.853 4.120 0.003 0.000 0.309 1065 V C -0.620 175.517 176.094 0.070 0.000 1.130 1065 V CA -0.801 61.539 62.300 0.066 0.000 0.964 1065 V CB 2.107 33.949 31.823 0.031 0.000 1.029 1065 V HN 0.819 nan 8.190 nan 0.000 0.427 1066 V N 2.545 122.496 119.914 0.062 0.000 2.357 1066 V HA 0.331 4.453 4.120 0.003 0.000 0.281 1066 V C 0.729 176.858 176.094 0.059 0.000 1.015 1066 V CA 0.387 62.719 62.300 0.054 0.000 0.827 1066 V CB 1.302 33.153 31.823 0.046 0.000 1.018 1066 V HN 1.083 nan 8.190 nan 0.000 0.432 1067 S N 2.335 118.065 115.700 0.050 0.000 2.506 1067 S HA 0.164 4.636 4.470 0.003 0.000 0.219 1067 S C 1.198 175.820 174.600 0.037 0.000 1.031 1067 S CA 0.404 58.633 58.200 0.049 0.000 0.911 1067 S CB -0.040 63.186 63.200 0.042 0.000 0.812 1067 S HN 0.790 nan 8.310 nan 0.000 0.497 1068 K N 2.071 122.489 120.400 0.030 0.000 2.315 1068 K HA 0.518 4.841 4.320 0.003 0.000 0.281 1068 K C 0.859 177.470 176.600 0.018 0.000 1.086 1068 K CA 0.313 56.613 56.287 0.021 0.000 1.042 1068 K CB -1.693 30.818 32.500 0.017 0.000 0.949 1068 K HN 1.602 nan 8.250 nan 0.000 0.450 1069 G N 0.135 108.945 108.800 0.016 0.000 2.825 1069 G HA2 0.343 4.305 3.960 0.003 0.000 0.686 1069 G HA3 0.343 4.305 3.960 0.003 0.000 0.686 1069 G C 0.050 174.959 174.900 0.014 0.000 1.362 1069 G CA 0.248 45.355 45.100 0.011 0.000 0.975 1069 G HN 1.912 nan 8.290 nan 0.000 0.594 1070 Q N 3.066 122.872 119.800 0.010 0.000 2.382 1070 Q HA 0.787 5.129 4.340 0.003 0.000 0.229 1070 Q C -0.649 175.352 176.000 0.001 0.000 1.006 1070 Q CA -0.483 55.326 55.803 0.010 0.000 0.916 1070 Q CB -0.124 28.616 28.738 0.004 0.000 1.235 1070 Q HN 1.157 nan 8.270 nan 0.000 0.512 1071 P HA 0.281 nan 4.420 nan 0.000 0.277 1071 P C -0.790 176.528 177.300 0.031 0.000 1.240 1071 P CA -0.232 62.869 63.100 0.002 0.000 0.798 1071 P CB 0.731 32.423 31.700 -0.015 0.000 0.979 1072 T N 2.216 116.809 114.554 0.063 0.000 2.884 1072 T HA 0.366 4.718 4.350 0.003 0.000 0.298 1072 T C 0.274 175.093 174.700 0.199 0.000 0.998 1072 T CA -0.217 61.966 62.100 0.139 0.000 1.124 1072 T CB 0.147 69.149 68.868 0.225 0.000 0.931 1072 T HN 0.214 nan 8.240 nan 0.000 0.531 1073 L N 2.879 124.205 121.223 0.172 0.000 2.356 1073 L HA 0.580 4.922 4.340 0.003 0.000 0.277 1073 L C -0.673 176.287 176.870 0.150 0.000 0.996 1073 L CA -1.192 53.753 54.840 0.175 0.000 0.822 1073 L CB 1.901 44.012 42.059 0.086 0.000 1.256 1073 L HN 0.344 nan 8.230 nan 0.000 0.413 1074 V N 4.163 124.182 119.914 0.174 0.000 2.334 1074 V HA 0.318 4.440 4.120 0.003 0.000 0.281 1074 V C 0.078 176.204 176.094 0.053 0.000 1.016 1074 V CA -0.590 61.726 62.300 0.027 0.000 0.832 1074 V CB 1.992 33.726 31.823 -0.148 0.000 0.999 1074 V HN 0.432 nan 8.190 nan 0.000 0.439 1075 V N 7.404 127.341 119.914 0.037 0.000 2.383 1075 V HA 0.585 4.707 4.120 0.003 0.000 0.275 1075 V C 0.191 176.306 176.094 0.036 0.000 1.036 1075 V CA -0.232 62.098 62.300 0.049 0.000 0.889 1075 V CB 1.152 33.010 31.823 0.058 0.000 0.985 1075 V HN 0.950 nan 8.190 nan 0.000 0.459 1076 M N 2.752 122.375 119.600 0.038 0.000 2.744 1076 M HA 0.711 5.193 4.480 0.003 0.000 0.283 1076 M C -0.403 175.918 176.300 0.034 0.000 1.275 1076 M CA -0.964 54.355 55.300 0.031 0.000 0.796 1076 M CB 2.076 34.691 32.600 0.026 0.000 1.739 1076 M HN 0.641 nan 8.290 nan 0.000 0.454 1077 E N 1.205 121.423 120.200 0.029 0.000 2.398 1077 E HA 0.330 4.682 4.350 0.003 0.000 0.263 1077 E C -1.184 175.423 176.600 0.012 0.000 1.046 1077 E CA -0.715 55.696 56.400 0.019 0.000 0.908 1077 E CB 0.979 30.685 29.700 0.009 0.000 0.963 1077 E HN 0.580 nan 8.360 nan 0.000 0.431 1078 L N 3.583 124.809 121.223 0.004 0.000 2.313 1078 L HA 0.184 4.526 4.340 0.003 0.000 0.282 1078 L C -0.647 176.210 176.870 -0.022 0.000 1.092 1078 L CA -0.234 54.602 54.840 -0.006 0.000 0.831 1078 L CB 0.948 42.999 42.059 -0.012 0.000 1.159 1078 L HN 0.643 nan 8.230 nan 0.000 0.442 1079 M N 5.808 125.391 119.600 -0.030 0.000 2.365 1079 M HA 0.252 4.734 4.480 0.003 0.000 0.350 1079 M C 1.348 177.597 176.300 -0.085 0.000 1.274 1079 M CA -0.142 55.129 55.300 -0.050 0.000 1.252 1079 M CB -0.097 32.483 32.600 -0.034 0.000 1.297 1079 M HN 0.824 nan 8.290 nan 0.000 0.438 1080 A N 2.226 124.962 122.820 -0.140 0.000 1.971 1080 A HA -0.195 4.127 4.320 0.003 0.000 0.222 1080 A C 1.430 178.784 177.584 -0.384 0.000 1.182 1080 A CA 1.805 53.679 52.037 -0.272 0.000 0.649 1080 A CB -0.618 18.168 19.000 -0.358 0.000 0.818 1080 A HN 0.771 nan 8.150 nan 0.000 0.458 1081 H N -0.861 118.132 119.070 -0.128 0.000 2.507 1081 H HA 0.361 4.919 4.556 0.003 0.000 0.294 1081 H C 1.557 176.867 175.328 -0.030 0.000 1.064 1081 H CA 0.354 56.341 56.048 -0.103 0.000 1.138 1081 H CB -0.692 28.925 29.762 -0.242 0.000 1.515 1081 H HN 0.679 nan 8.280 nan 0.000 0.547 1082 G N 2.045 110.869 108.800 0.040 0.000 2.578 1082 G HA2 -0.286 3.676 3.960 0.003 0.000 0.275 1082 G HA3 -0.286 3.676 3.960 0.003 0.000 0.275 1082 G C 0.044 174.975 174.900 0.052 0.000 1.271 1082 G CA 0.118 45.245 45.100 0.044 0.000 0.941 1082 G HN 0.543 nan 8.290 nan 0.000 0.564 1083 D N 0.168 120.603 120.400 0.058 0.000 2.313 1083 D HA 0.307 4.949 4.640 0.003 0.000 0.247 1083 D C 1.660 178.028 176.300 0.113 0.000 1.094 1083 D CA -0.244 53.790 54.000 0.057 0.000 0.925 1083 D CB 1.661 42.480 40.800 0.032 0.000 1.188 1083 D HN 0.508 nan 8.370 nan 0.000 0.430 1084 L N 2.223 123.509 121.223 0.105 0.000 2.046 1084 L HA -0.179 4.163 4.340 0.003 0.000 0.208 1084 L C 2.477 179.456 176.870 0.182 0.000 1.077 1084 L CA 1.873 56.812 54.840 0.166 0.000 0.747 1084 L CB -0.883 41.249 42.059 0.123 0.000 0.896 1084 L HN 0.640 nan 8.230 nan 0.000 0.432 1085 K N -1.061 119.413 120.400 0.125 0.000 2.001 1085 K HA -0.247 4.075 4.320 0.003 0.000 0.214 1085 K C 2.343 179.003 176.600 0.100 0.000 1.050 1085 K CA 1.966 58.321 56.287 0.113 0.000 0.934 1085 K CB -0.537 32.025 32.500 0.103 0.000 0.718 1085 K HN 0.419 nan 8.250 nan 0.000 0.443 1086 S N -0.433 115.328 115.700 0.102 0.000 2.374 1086 S HA -0.231 4.241 4.470 0.003 0.000 0.227 1086 S C 1.956 176.624 174.600 0.115 0.000 1.037 1086 S CA 1.496 59.752 58.200 0.093 0.000 1.024 1086 S CB -0.557 62.697 63.200 0.091 0.000 0.861 1086 S HN 0.548 nan 8.310 nan 0.000 0.456 1087 Y N 1.660 121.990 120.300 0.050 0.000 2.200 1087 Y HA 0.037 4.589 4.550 0.003 0.000 0.290 1087 Y C 1.921 177.835 175.900 0.025 0.000 1.137 1087 Y CA 1.590 59.722 58.100 0.053 0.000 1.163 1087 Y CB -0.505 38.002 38.460 0.079 0.000 0.988 1087 Y HN 0.260 nan 8.280 nan 0.000 0.518 1088 L N -0.054 121.133 121.223 -0.061 0.000 2.079 1088 L HA -0.241 4.101 4.340 0.003 0.000 0.210 1088 L C 2.610 179.376 176.870 -0.174 0.000 1.081 1088 L CA 1.531 56.276 54.840 -0.158 0.000 0.752 1088 L CB -0.475 41.570 42.059 -0.023 0.000 0.896 1088 L HN 0.164 nan 8.230 nan 0.000 0.433 1089 R N -0.715 119.729 120.500 -0.093 0.000 2.115 1089 R HA -0.083 4.259 4.340 0.003 0.000 0.230 1089 R C 2.418 178.656 176.300 -0.103 0.000 1.111 1089 R CA 1.324 57.379 56.100 -0.075 0.000 0.976 1089 R CB -0.315 29.973 30.300 -0.020 0.000 0.870 1089 R HN 0.311 nan 8.270 nan 0.000 0.445 1090 S N 1.466 117.085 115.700 -0.136 0.000 2.400 1090 S HA -0.074 4.398 4.470 0.003 0.000 0.232 1090 S C 1.858 176.351 174.600 -0.178 0.000 1.025 1090 S CA 0.976 59.096 58.200 -0.134 0.000 0.993 1090 S CB -0.129 62.985 63.200 -0.144 0.000 0.808 1090 S HN 0.271 nan 8.310 nan 0.000 0.478 1091 L N 0.669 121.731 121.223 -0.269 0.000 2.551 1091 L HA 0.056 4.398 4.340 0.003 0.000 0.228 1091 L C 0.888 177.666 176.870 -0.153 0.000 1.153 1091 L CA 0.294 54.991 54.840 -0.239 0.000 0.851 1091 L CB -0.334 41.537 42.059 -0.315 0.000 0.959 1091 L HN 0.109 nan 8.230 nan 0.000 0.451 1092 R N 1.385 121.810 120.500 -0.127 0.000 2.570 1092 R HA -0.005 4.337 4.340 0.003 0.000 0.277 1092 R C -1.094 175.160 176.300 -0.077 0.000 1.039 1092 R CA -1.036 55.008 56.100 -0.094 0.000 1.065 1092 R CB 0.290 30.545 30.300 -0.075 0.000 0.964 1092 R HN -0.069 nan 8.270 nan 0.000 0.428 1093 P HA -0.226 nan 4.420 nan 0.000 0.216 1093 P C 1.007 178.282 177.300 -0.042 0.000 1.153 1093 P CA 1.894 64.962 63.100 -0.053 0.000 0.858 1093 P CB 0.177 31.848 31.700 -0.048 0.000 0.789 1094 E N 0.372 120.549 120.200 -0.039 0.000 2.347 1094 E HA 0.124 4.476 4.350 0.003 0.000 0.196 1094 E C 1.435 178.019 176.600 -0.027 0.000 1.008 1094 E CA 0.581 56.964 56.400 -0.029 0.000 0.852 1094 E CB -1.275 28.410 29.700 -0.025 0.000 0.783 1094 E HN 0.500 nan 8.360 nan 0.000 0.505 1095 A N 0.588 123.387 122.820 -0.035 0.000 2.563 1095 A HA 0.378 4.700 4.320 0.003 0.000 0.256 1095 A C 1.659 179.230 177.584 -0.020 0.000 1.056 1095 A CA 0.916 52.935 52.037 -0.031 0.000 0.775 1095 A CB -0.644 18.328 19.000 -0.047 0.000 0.973 1095 A HN 0.769 nan 8.150 nan 0.000 0.516 1096 E N 2.754 122.947 120.200 -0.011 0.000 2.160 1096 E HA -0.261 4.091 4.350 0.003 0.000 0.195 1096 E C 1.054 177.654 176.600 -0.001 0.000 0.991 1096 E CA 1.730 58.127 56.400 -0.005 0.000 0.810 1096 E CB -0.863 28.837 29.700 0.000 0.000 0.742 1096 E HN 1.046 nan 8.360 nan 0.000 0.466 1097 N N 0.210 118.910 118.700 -0.000 0.000 2.276 1097 N HA -0.013 4.729 4.740 0.003 0.000 0.212 1097 N C 0.249 175.760 175.510 0.002 0.000 1.127 1097 N CA -0.184 52.871 53.050 0.009 0.000 0.834 1097 N CB -0.136 38.362 38.487 0.019 0.000 1.014 1097 N HN 0.222 nan 8.380 nan 0.000 0.491 1098 N N 1.958 120.649 118.700 -0.014 0.000 2.294 1098 N HA -0.008 4.734 4.740 0.003 0.000 0.263 1098 N C -1.402 174.103 175.510 -0.009 0.000 1.281 1098 N CA -0.657 52.375 53.050 -0.030 0.000 0.846 1098 N CB 0.914 39.380 38.487 -0.035 0.000 1.061 1098 N HN 0.123 nan 8.380 nan 0.000 0.478 1099 P HA 0.096 nan 4.420 nan 0.000 0.197 1099 P C 0.376 177.687 177.300 0.018 0.000 1.076 1099 P CA 1.311 64.429 63.100 0.029 0.000 0.876 1099 P CB 0.132 31.862 31.700 0.049 0.000 0.705 1100 G N -1.966 106.838 108.800 0.006 0.000 5.371 1100 G HA2 0.212 4.174 3.960 0.003 0.000 0.208 1100 G HA3 0.212 4.174 3.960 0.003 0.000 0.208 1100 G C -0.270 174.620 174.900 -0.015 0.000 0.815 1100 G CA -0.375 44.726 45.100 0.001 0.000 0.735 1100 G HN 0.412 nan 8.290 nan 0.000 0.284 1101 R N -0.317 120.160 120.500 -0.038 0.000 2.855 1101 R HA 0.853 5.195 4.340 0.003 0.000 0.266 1101 R C -2.818 173.437 176.300 -0.075 0.000 1.034 1101 R CA -1.580 54.486 56.100 -0.056 0.000 0.944 1101 R CB 1.130 31.387 30.300 -0.073 0.000 1.219 1101 R HN 0.006 nan 8.270 nan 0.000 0.474 1102 P HA 0.404 nan 4.420 nan 0.000 0.293 1102 P C -2.581 174.656 177.300 -0.104 0.000 1.304 1102 P CA -1.761 61.291 63.100 -0.080 0.000 0.767 1102 P CB -0.064 31.597 31.700 -0.064 0.000 1.247 1103 P HA 0.209 nan 4.420 nan 0.000 0.271 1103 P C -2.270 174.969 177.300 -0.101 0.000 1.233 1103 P CA -0.691 62.339 63.100 -0.118 0.000 0.789 1103 P CB -1.283 30.354 31.700 -0.106 0.000 0.951 1104 P HA 0.018 nan 4.420 nan 0.000 0.267 1104 P C -0.390 176.872 177.300 -0.064 0.000 1.201 1104 P CA 0.573 63.633 63.100 -0.066 0.000 0.775 1104 P CB 0.086 31.761 31.700 -0.040 0.000 0.854 1105 T N 2.257 116.777 114.554 -0.055 0.000 2.899 1105 T HA 0.133 4.485 4.350 0.003 0.000 0.284 1105 T C 1.441 176.112 174.700 -0.047 0.000 1.004 1105 T CA -0.616 61.454 62.100 -0.051 0.000 1.043 1105 T CB 0.494 69.335 68.868 -0.045 0.000 1.013 1105 T HN 0.366 nan 8.240 nan 0.000 0.518 1106 L N 1.233 122.427 121.223 -0.047 0.000 2.021 1106 L HA -0.260 4.082 4.340 0.003 0.000 0.215 1106 L C 2.682 179.526 176.870 -0.044 0.000 1.074 1106 L CA 1.842 56.653 54.840 -0.048 0.000 0.760 1106 L CB -0.250 41.781 42.059 -0.046 0.000 0.889 1106 L HN 0.658 nan 8.230 nan 0.000 0.433 1107 Q N 0.463 120.240 119.800 -0.039 0.000 2.030 1107 Q HA -0.269 4.073 4.340 0.003 0.000 0.204 1107 Q C 1.960 177.944 176.000 -0.027 0.000 0.986 1107 Q CA 2.363 58.146 55.803 -0.034 0.000 0.843 1107 Q CB -0.228 28.494 28.738 -0.027 0.000 0.904 1107 Q HN 0.592 nan 8.270 nan 0.000 0.420 1108 E N -0.620 119.564 120.200 -0.026 0.000 2.160 1108 E HA -0.205 4.147 4.350 0.003 0.000 0.195 1108 E C 2.042 178.634 176.600 -0.013 0.000 0.991 1108 E CA 1.384 57.773 56.400 -0.019 0.000 0.810 1108 E CB -0.201 29.480 29.700 -0.032 0.000 0.742 1108 E HN 0.466 nan 8.360 nan 0.000 0.466 1109 M N 0.274 119.860 119.600 -0.024 0.000 2.099 1109 M HA -0.134 4.348 4.480 0.003 0.000 0.262 1109 M C 2.233 178.520 176.300 -0.023 0.000 1.067 1109 M CA 0.985 56.271 55.300 -0.024 0.000 1.124 1109 M CB -0.143 32.430 32.600 -0.045 0.000 1.353 1109 M HN 0.098 nan 8.290 nan 0.000 0.410 1110 I N 0.382 120.930 120.570 -0.037 0.000 2.208 1110 I HA -0.279 3.893 4.170 0.003 0.000 0.245 1110 I C 2.453 178.534 176.117 -0.060 0.000 1.097 1110 I CA 1.660 62.930 61.300 -0.049 0.000 1.363 1110 I CB -1.410 36.549 38.000 -0.068 0.000 1.051 1110 I HN 0.365 nan 8.210 nan 0.000 0.413 1111 Q N 0.858 120.630 119.800 -0.046 0.000 2.020 1111 Q HA -0.165 4.177 4.340 0.003 0.000 0.202 1111 Q C 2.335 178.332 176.000 -0.005 0.000 0.982 1111 Q CA 1.820 57.600 55.803 -0.039 0.000 0.838 1111 Q CB -0.241 28.505 28.738 0.012 0.000 0.899 1111 Q HN 0.405 nan 8.270 nan 0.000 0.423 1112 M N -0.719 118.894 119.600 0.022 0.000 2.065 1112 M HA -0.226 4.256 4.480 0.003 0.000 0.259 1112 M C 2.165 178.512 176.300 0.078 0.000 1.069 1112 M CA 1.751 57.081 55.300 0.050 0.000 1.110 1112 M CB -0.523 32.109 32.600 0.055 0.000 1.328 1112 M HN 0.362 nan 8.290 nan 0.000 0.405 1113 A N 0.271 123.143 122.820 0.087 0.000 1.883 1113 A HA -0.130 4.192 4.320 0.003 0.000 0.217 1113 A C 2.340 180.041 177.584 0.195 0.000 1.186 1113 A CA 2.177 54.342 52.037 0.212 0.000 0.624 1113 A CB -1.046 18.051 19.000 0.162 0.000 0.822 1113 A HN 0.540 nan 8.150 nan 0.000 0.444 1114 A N -0.285 122.551 122.820 0.027 0.000 1.898 1114 A HA -0.154 4.168 4.320 0.003 0.000 0.216 1114 A C 1.914 179.508 177.584 0.017 0.000 1.181 1114 A CA 1.583 53.584 52.037 -0.061 0.000 0.620 1114 A CB -0.552 18.234 19.000 -0.357 0.000 0.819 1114 A HN 0.650 nan 8.150 nan 0.000 0.442 1115 E N -0.254 119.932 120.200 -0.024 0.000 2.077 1115 E HA -0.170 4.182 4.350 0.003 0.000 0.193 1115 E C 1.898 178.388 176.600 -0.182 0.000 0.989 1115 E CA 1.330 57.574 56.400 -0.261 0.000 0.800 1115 E CB -0.325 29.291 29.700 -0.139 0.000 0.746 1115 E HN 0.706 nan 8.360 nan 0.000 0.452 1116 I N 1.186 121.760 120.570 0.005 0.000 2.202 1116 I HA -0.235 3.937 4.170 0.003 0.000 0.242 1116 I C 2.595 178.674 176.117 -0.063 0.000 1.091 1116 I CA 0.924 62.253 61.300 0.047 0.000 1.368 1116 I CB -0.309 37.834 38.000 0.237 0.000 1.058 1116 I HN 0.064 nan 8.210 nan 0.000 0.410 1117 A N 0.296 123.080 122.820 -0.059 0.000 1.933 1117 A HA -0.304 4.018 4.320 0.003 0.000 0.218 1117 A C 1.958 179.526 177.584 -0.026 0.000 1.175 1117 A CA 2.345 54.297 52.037 -0.141 0.000 0.628 1117 A CB -0.742 18.195 19.000 -0.104 0.000 0.814 1117 A HN 0.470 nan 8.150 nan 0.000 0.444 1118 D N -0.748 119.688 120.400 0.060 0.000 2.117 1118 D HA -0.043 4.600 4.640 0.003 0.000 0.197 1118 D C 2.003 178.393 176.300 0.151 0.000 0.987 1118 D CA 1.674 55.795 54.000 0.201 0.000 0.829 1118 D CB -0.417 40.523 40.800 0.233 0.000 0.961 1118 D HN 0.296 nan 8.370 nan 0.000 0.460 1119 G N -0.035 108.792 108.800 0.045 0.000 2.422 1119 G HA2 -0.224 3.738 3.960 0.003 0.000 0.218 1119 G HA3 -0.224 3.738 3.960 0.003 0.000 0.218 1119 G C 1.505 176.333 174.900 -0.121 0.000 1.146 1119 G CA 0.784 45.892 45.100 0.013 0.000 0.769 1119 G HN 0.182 nan 8.290 nan 0.000 0.547 1120 M N 1.105 120.506 119.600 -0.332 0.000 2.200 1120 M HA 0.137 4.619 4.480 0.003 0.000 0.265 1120 M C 3.002 179.054 176.300 -0.413 0.000 1.066 1120 M CA 1.050 55.973 55.300 -0.629 0.000 1.127 1120 M CB -1.257 30.316 32.600 -1.712 0.000 1.379 1120 M HN 0.307 nan 8.290 nan 0.000 0.420 1121 A N -0.588 122.131 122.820 -0.169 0.000 1.908 1121 A HA -0.232 4.090 4.320 0.003 0.000 0.218 1121 A C 2.175 179.699 177.584 -0.101 0.000 1.181 1121 A CA 1.574 53.684 52.037 0.122 0.000 0.627 1121 A CB -1.179 18.066 19.000 0.408 0.000 0.818 1121 A HN 0.505 nan 8.150 nan 0.000 0.445 1122 Y N 0.610 120.622 120.300 -0.480 0.000 2.114 1122 Y HA -0.205 4.348 4.550 0.005 0.000 0.284 1122 Y C 2.050 177.606 175.900 -0.573 0.000 1.143 1122 Y CA 1.846 59.345 58.100 -1.001 0.000 1.135 1122 Y CB -0.344 37.637 38.460 -0.798 0.000 0.980 1122 Y HN 0.207 nan 8.280 nan 0.000 0.499 1123 L N 0.623 121.634 121.223 -0.354 0.000 1.990 1123 L HA -0.356 3.986 4.340 0.003 0.000 0.213 1123 L C 2.495 179.279 176.870 -0.143 0.000 1.072 1123 L CA 2.317 56.965 54.840 -0.320 0.000 0.755 1123 L CB -1.088 40.889 42.059 -0.137 0.000 0.889 1123 L HN 0.501 nan 8.230 nan 0.000 0.432 1124 N N 0.038 118.688 118.700 -0.084 0.000 2.069 1124 N HA -0.206 4.536 4.740 0.003 0.000 0.191 1124 N C 1.898 177.380 175.510 -0.047 0.000 1.031 1124 N CA 1.306 54.365 53.050 0.016 0.000 0.852 1124 N CB 0.048 38.608 38.487 0.122 0.000 1.018 1124 N HN 0.317 nan 8.380 nan 0.000 0.423 1125 A N 1.160 123.895 122.820 -0.142 0.000 1.940 1125 A HA -0.121 4.201 4.320 0.003 0.000 0.219 1125 A C 1.962 179.435 177.584 -0.186 0.000 1.176 1125 A CA 1.197 53.153 52.037 -0.135 0.000 0.631 1125 A CB -0.312 18.575 19.000 -0.189 0.000 0.814 1125 A HN 0.318 nan 8.150 nan 0.000 0.446 1126 K N -0.733 119.496 120.400 -0.285 0.000 2.505 1126 K HA 0.016 4.338 4.320 0.003 0.000 0.192 1126 K C -0.393 176.167 176.600 -0.067 0.000 1.025 1126 K CA 0.024 56.240 56.287 -0.118 0.000 1.086 1126 K CB 0.183 32.652 32.500 -0.051 0.000 0.840 1126 K HN 0.202 nan 8.250 nan 0.000 0.514 1127 K N -0.007 120.326 120.400 -0.111 0.000 3.181 1127 K HA -0.159 4.163 4.320 0.003 0.000 0.269 1127 K C -1.026 175.330 176.600 -0.406 0.000 1.097 1127 K CA 0.865 57.025 56.287 -0.212 0.000 0.783 1127 K CB -1.916 30.429 32.500 -0.258 0.000 1.267 1127 K HN 0.076 nan 8.250 nan 0.000 0.484 1128 F N -1.132 118.826 119.950 0.013 0.000 2.551 1128 F HA 0.486 5.017 4.527 0.006 0.000 0.316 1128 F C 0.264 176.114 175.800 0.084 0.000 1.089 1128 F CA -1.016 57.022 58.000 0.063 0.000 0.915 1128 F CB 1.899 40.971 39.000 0.121 0.000 1.186 1128 F HN -0.166 nan 8.300 nan 0.000 0.456 1129 V N 3.961 124.055 119.914 0.300 0.000 2.417 1129 V HA 0.251 4.373 4.120 0.003 0.000 0.291 1129 V C 0.618 176.880 176.094 0.280 0.000 1.024 1129 V CA -0.165 62.295 62.300 0.267 0.000 0.861 1129 V CB 1.158 33.118 31.823 0.229 0.000 0.985 1129 V HN 0.939 nan 8.190 nan 0.000 0.436 1130 H N 6.167 125.362 119.070 0.208 0.000 2.363 1130 H HA 0.010 4.568 4.556 0.003 0.000 0.301 1130 H C 1.575 176.984 175.328 0.135 0.000 1.074 1130 H CA 2.082 58.236 56.048 0.176 0.000 1.354 1130 H CB 0.363 30.202 29.762 0.127 0.000 1.397 1130 H HN 0.842 nan 8.280 nan 0.000 0.516 1131 R N -0.780 119.919 120.500 0.332 0.000 3.862 1131 R HA -0.197 4.145 4.340 0.003 0.000 0.470 1131 R C -0.290 176.196 176.300 0.311 0.000 0.879 1131 R CA 1.445 57.713 56.100 0.280 0.000 1.508 1131 R CB -1.547 28.720 30.300 -0.055 0.000 2.170 1131 R HN 0.347 nan 8.270 nan 0.000 0.496 1132 D N 0.365 121.041 120.400 0.460 0.000 2.952 1132 D HA 0.168 4.811 4.640 0.003 0.000 0.373 1132 D C -1.043 175.443 176.300 0.309 0.000 1.360 1132 D CA -0.417 53.777 54.000 0.323 0.000 0.788 1132 D CB 0.327 41.193 40.800 0.110 0.000 1.192 1132 D HN 0.018 nan 8.370 nan 0.000 0.462 1133 L N 1.605 122.955 121.223 0.211 0.000 2.410 1133 L HA 0.644 4.986 4.340 0.003 0.000 0.273 1133 L C -0.485 176.375 176.870 -0.017 0.000 1.144 1133 L CA 0.215 55.001 54.840 -0.089 0.000 0.863 1133 L CB 0.330 42.410 42.059 0.034 0.000 1.140 1133 L HN 0.213 nan 8.230 nan 0.000 0.463 1134 A N 3.906 126.648 122.820 -0.130 0.000 2.597 1134 A HA 0.674 4.997 4.320 0.003 0.000 0.292 1134 A C 0.498 178.047 177.584 -0.057 0.000 1.057 1134 A CA -0.162 51.752 52.037 -0.205 0.000 0.674 1134 A CB 0.281 18.720 19.000 -0.935 0.000 1.278 1134 A HN 1.065 nan 8.150 nan 0.000 0.416 1135 A N 0.729 123.605 122.820 0.094 0.000 1.948 1135 A HA -0.179 4.143 4.320 0.003 0.000 0.220 1135 A C 1.946 179.547 177.584 0.029 0.000 1.177 1135 A CA 2.153 54.249 52.037 0.099 0.000 0.636 1135 A CB -0.668 18.439 19.000 0.178 0.000 0.815 1135 A HN 1.080 nan 8.150 nan 0.000 0.449 1136 R N -0.937 119.545 120.500 -0.031 0.000 2.152 1136 R HA -0.030 4.312 4.340 0.003 0.000 0.232 1136 R C 0.673 176.930 176.300 -0.071 0.000 1.117 1136 R CA 1.514 57.584 56.100 -0.049 0.000 0.981 1136 R CB -0.458 29.783 30.300 -0.098 0.000 0.870 1136 R HN 0.339 nan 8.270 nan 0.000 0.451 1137 N N -0.030 118.609 118.700 -0.102 0.000 2.270 1137 N HA 0.097 4.839 4.740 0.003 0.000 0.198 1137 N C -0.752 174.699 175.510 -0.098 0.000 1.117 1137 N CA -0.028 52.958 53.050 -0.107 0.000 0.845 1137 N CB 0.449 38.870 38.487 -0.111 0.000 0.980 1137 N HN 0.140 nan 8.380 nan 0.000 0.486 1138 C N 1.830 121.099 119.300 -0.052 0.000 2.350 1138 C HA 0.522 4.984 4.460 0.003 0.000 0.348 1138 C C 0.191 175.179 174.990 -0.005 0.000 1.260 1138 C CA -0.764 58.239 59.018 -0.024 0.000 1.966 1138 C CB 0.279 28.029 27.740 0.018 0.000 2.380 1138 C HN 0.201 nan 8.230 nan 0.000 0.535 1139 M N 3.043 122.638 119.600 -0.007 0.000 2.578 1139 M HA 0.532 5.014 4.480 0.003 0.000 0.321 1139 M C -0.591 175.703 176.300 -0.011 0.000 1.182 1139 M CA -0.694 54.603 55.300 -0.005 0.000 0.965 1139 M CB 1.392 33.983 32.600 -0.015 0.000 1.694 1139 M HN 0.276 nan 8.290 nan 0.000 0.461 1140 V N 1.694 121.596 119.914 -0.020 0.000 2.384 1140 V HA 0.671 4.793 4.120 0.003 0.000 0.287 1140 V C 0.451 176.496 176.094 -0.082 0.000 1.020 1140 V CA -1.060 61.205 62.300 -0.058 0.000 0.850 1140 V CB 1.040 32.795 31.823 -0.113 0.000 0.987 1140 V HN 1.017 nan 8.190 nan 0.000 0.436 1141 A N 2.767 125.507 122.820 -0.132 0.000 2.296 1141 A HA 0.395 4.717 4.320 0.003 0.000 0.264 1141 A C 1.280 178.682 177.584 -0.303 0.000 1.097 1141 A CA 0.524 52.438 52.037 -0.205 0.000 0.811 1141 A CB -0.077 18.764 19.000 -0.264 0.000 1.072 1141 A HN 1.249 nan 8.150 nan 0.000 0.495 1142 H N -0.497 118.428 119.070 -0.242 0.000 2.460 1142 H HA -0.134 4.424 4.556 0.003 0.000 0.297 1142 H C 0.816 175.961 175.328 -0.305 0.000 1.103 1142 H CA 1.757 57.602 56.048 -0.339 0.000 1.292 1142 H CB -0.081 29.539 29.762 -0.236 0.000 1.376 1142 H HN 0.628 nan 8.280 nan 0.000 0.531 1143 D N -0.766 119.052 120.400 -0.970 0.000 2.340 1143 D HA -0.083 4.559 4.640 0.003 0.000 0.217 1143 D C -0.113 176.097 176.300 -0.149 0.000 1.081 1143 D CA -0.449 53.278 54.000 -0.457 0.000 0.842 1143 D CB -0.503 40.043 40.800 -0.423 0.000 0.934 1143 D HN 0.475 nan 8.370 nan 0.000 0.511 1144 F N -0.469 119.388 119.950 -0.155 0.000 2.795 1144 F HA -0.212 4.317 4.527 0.003 0.000 0.297 1144 F C 0.307 176.021 175.800 -0.143 0.000 0.699 1144 F CA 0.503 58.388 58.000 -0.191 0.000 1.384 1144 F CB -2.706 36.167 39.000 -0.212 0.000 1.672 1144 F HN -0.117 nan 8.300 nan 0.000 0.345 1145 T N 1.617 116.154 114.554 -0.027 0.000 2.851 1145 T HA 0.510 4.862 4.350 0.003 0.000 0.298 1145 T C 0.510 175.221 174.700 0.018 0.000 0.977 1145 T CA -0.303 61.813 62.100 0.027 0.000 1.126 1145 T CB 1.396 70.268 68.868 0.006 0.000 0.916 1145 T HN 0.026 nan 8.240 nan 0.000 0.529 1146 V N 5.040 124.994 119.914 0.067 0.000 2.509 1146 V HA 0.455 4.577 4.120 0.003 0.000 0.284 1146 V C 0.235 176.375 176.094 0.075 0.000 1.047 1146 V CA -0.476 61.853 62.300 0.048 0.000 0.952 1146 V CB 1.247 33.103 31.823 0.054 0.000 0.988 1146 V HN 0.769 nan 8.190 nan 0.000 0.469 1147 K N 3.469 123.893 120.400 0.040 0.000 2.477 1147 K HA 0.614 4.936 4.320 0.003 0.000 0.255 1147 K C -1.515 175.100 176.600 0.025 0.000 0.952 1147 K CA -1.018 55.299 56.287 0.050 0.000 0.826 1147 K CB 2.441 34.948 32.500 0.011 0.000 1.331 1147 K HN 0.316 nan 8.250 nan 0.000 0.437 1148 I N 1.659 122.252 120.570 0.039 0.000 2.529 1148 I HA 0.273 4.445 4.170 0.003 0.000 0.284 1148 I C 0.815 176.934 176.117 0.003 0.000 1.082 1148 I CA 0.652 61.947 61.300 -0.008 0.000 1.406 1148 I CB 0.955 38.966 38.000 0.017 0.000 1.405 1148 I HN 0.772 nan 8.210 nan 0.000 0.548 1149 G N 2.780 111.460 108.800 -0.199 0.000 3.086 1149 G HA2 0.454 4.417 3.960 0.003 0.000 0.282 1149 G HA3 0.454 4.417 3.960 0.003 0.000 0.282 1149 G C -1.002 173.491 174.900 -0.679 0.000 1.343 1149 G CA -0.540 44.351 45.100 -0.348 0.000 0.895 1149 G HN 0.553 nan 8.290 nan 0.000 0.557 1150 D N -1.331 118.751 120.400 -0.530 0.000 3.617 1150 D HA -0.168 4.474 4.640 0.003 0.000 0.226 1150 D C -0.302 175.612 176.300 -0.644 0.000 1.125 1150 D CA 0.370 54.128 54.000 -0.404 0.000 1.083 1150 D CB -0.828 39.847 40.800 -0.209 0.000 0.833 1150 D HN 0.239 nan 8.370 nan 0.000 0.399 1151 F N 0.833 120.745 119.950 -0.063 0.000 2.668 1151 F HA 0.341 4.870 4.527 0.002 0.000 0.297 1151 F C 2.214 177.926 175.800 -0.147 0.000 1.124 1151 F CA 0.049 57.955 58.000 -0.157 0.000 1.353 1151 F CB 0.437 39.374 39.000 -0.105 0.000 0.992 1151 F HN 0.348 nan 8.300 nan 0.000 0.524 1152 G N 0.419 109.196 108.800 -0.039 0.000 2.446 1152 G HA2 -0.245 3.717 3.960 0.003 0.000 0.217 1152 G HA3 -0.245 3.717 3.960 0.003 0.000 0.217 1152 G C 1.528 176.418 174.900 -0.017 0.000 1.168 1152 G CA 0.637 45.751 45.100 0.024 0.000 0.771 1152 G HN 0.329 nan 8.290 nan 0.000 0.551 1153 M N 1.051 120.595 119.600 -0.094 0.000 2.495 1153 M HA 0.104 4.586 4.480 0.003 0.000 0.237 1153 M C 0.450 176.677 176.300 -0.121 0.000 1.131 1153 M CA 0.018 55.251 55.300 -0.112 0.000 1.032 1153 M CB 0.244 32.769 32.600 -0.125 0.000 1.513 1153 M HN -0.068 nan 8.290 nan 0.000 0.488 1154 T N 2.614 117.109 114.554 -0.099 0.000 2.946 1154 T HA 0.147 4.499 4.350 0.003 0.000 0.311 1154 T C 0.346 175.099 174.700 0.088 0.000 1.063 1154 T CA 0.243 62.349 62.100 0.011 0.000 1.139 1154 T CB 0.457 69.398 68.868 0.122 0.000 0.994 1154 T HN 0.214 nan 8.240 nan 0.000 0.547 1155 R N 1.796 122.399 120.500 0.171 0.000 2.725 1155 R HA 0.323 4.665 4.340 0.003 0.000 0.277 1155 R C -1.059 175.391 176.300 0.250 0.000 0.987 1155 R CA -0.939 55.262 56.100 0.168 0.000 0.901 1155 R CB 1.601 31.924 30.300 0.039 0.000 1.207 1155 R HN 0.596 nan 8.270 nan 0.000 0.463 1156 D N 3.087 123.565 120.400 0.130 0.000 2.312 1156 D HA 0.294 4.936 4.640 0.003 0.000 0.252 1156 D C 0.170 176.362 176.300 -0.179 0.000 1.150 1156 D CA -0.146 53.706 54.000 -0.248 0.000 0.870 1156 D CB 0.520 41.194 40.800 -0.209 0.000 1.153 1156 D HN 0.467 nan 8.370 nan 0.000 0.457 1160 T N -1.793 112.748 114.554 -0.023 0.000 2.986 1160 T HA 0.325 4.677 4.350 0.003 0.000 0.264 1160 T C -0.044 174.657 174.700 0.001 0.000 0.964 1160 T CA 0.392 62.488 62.100 -0.007 0.000 0.895 1160 T CB 0.787 69.657 68.868 0.003 0.000 1.163 1160 T HN -0.039 nan 8.240 nan 0.000 0.517 1165 K N 2.438 122.955 120.400 0.195 0.000 2.248 1165 K HA 0.443 4.765 4.320 0.003 0.000 0.281 1165 K C 0.508 177.172 176.600 0.106 0.000 1.054 1165 K CA 0.282 56.644 56.287 0.125 0.000 0.903 1165 K CB 1.457 34.047 32.500 0.150 0.000 1.077 1165 K HN 0.644 nan 8.250 nan 0.000 0.474 1166 G N 2.530 111.368 108.800 0.063 0.000 2.559 1166 G HA2 0.108 4.070 3.960 0.003 0.000 0.209 1166 G HA3 0.108 4.070 3.960 0.003 0.000 0.209 1166 G C 0.578 175.503 174.900 0.041 0.000 1.151 1166 G CA 0.239 45.368 45.100 0.048 0.000 0.824 1166 G HN 0.733 nan 8.290 nan 0.000 0.543 1167 G N -0.187 108.634 108.800 0.035 0.000 2.588 1167 G HA2 0.491 4.453 3.960 0.003 0.000 0.278 1167 G HA3 0.491 4.453 3.960 0.003 0.000 0.278 1167 G C 0.203 175.125 174.900 0.036 0.000 1.307 1167 G CA 0.349 45.466 45.100 0.029 0.000 1.016 1167 G HN 0.635 nan 8.290 nan 0.000 0.503 1168 K N -1.539 118.879 120.400 0.030 0.000 2.180 1168 K HA 0.708 5.030 4.320 0.003 0.000 0.251 1168 K C 0.483 177.104 176.600 0.037 0.000 1.014 1168 K CA 0.130 56.438 56.287 0.035 0.000 0.913 1168 K CB 0.653 33.170 32.500 0.028 0.000 1.008 1168 K HN 2.171 nan 8.250 nan 0.000 0.490 1169 G N -0.785 108.042 108.800 0.045 0.000 2.355 1169 G HA2 0.416 4.378 3.960 0.003 0.000 0.296 1169 G HA3 0.416 4.378 3.960 0.003 0.000 0.296 1169 G C -1.302 173.633 174.900 0.058 0.000 1.507 1169 G CA -0.933 44.194 45.100 0.044 0.000 0.823 1169 G HN 0.647 nan 8.290 nan 0.000 0.569 1170 L N 1.134 122.392 121.223 0.057 0.000 2.385 1170 L HA 0.432 4.774 4.340 0.003 0.000 0.281 1170 L C -0.045 176.876 176.870 0.085 0.000 1.106 1170 L CA -0.121 54.761 54.840 0.071 0.000 0.856 1170 L CB 0.158 42.259 42.059 0.070 0.000 1.186 1170 L HN 0.231 nan 8.230 nan 0.000 0.453 1171 L N 5.752 127.041 121.223 0.110 0.000 2.354 1171 L HA 0.490 4.832 4.340 0.003 0.000 0.269 1171 L C -1.921 175.055 176.870 0.178 0.000 1.005 1171 L CA -1.706 53.224 54.840 0.151 0.000 0.819 1171 L CB 2.217 44.391 42.059 0.192 0.000 1.311 1171 L HN 0.403 nan 8.230 nan 0.000 0.423 1172 P HA 0.025 nan 4.420 nan 0.000 0.220 1172 P C 1.042 178.589 177.300 0.413 0.000 1.806 1172 P CA -0.239 63.044 63.100 0.304 0.000 0.976 1172 P CB 0.213 32.047 31.700 0.223 0.000 1.952 1173 V N 1.260 121.346 119.914 0.285 0.000 2.313 1173 V HA -0.330 3.792 4.120 0.003 0.000 0.253 1173 V C 2.171 178.373 176.094 0.180 0.000 1.070 1173 V CA 1.569 63.981 62.300 0.187 0.000 1.057 1173 V CB -1.549 30.327 31.823 0.088 0.000 0.653 1173 V HN 0.181 nan 8.190 nan 0.000 0.450 1174 R N -1.140 119.503 120.500 0.239 0.000 2.293 1174 R HA -0.016 4.326 4.340 0.003 0.000 0.219 1174 R C 1.852 178.148 176.300 -0.007 0.000 1.091 1174 R CA 1.689 57.814 56.100 0.041 0.000 1.004 1174 R CB -0.227 29.966 30.300 -0.180 0.000 0.865 1174 R HN 0.688 nan 8.270 nan 0.000 0.469 1175 W N -0.365 121.092 121.300 0.263 0.000 3.127 1175 W HA 0.283 4.944 4.660 0.002 0.000 0.344 1175 W C -0.043 176.705 176.519 0.380 0.000 1.151 1175 W CA -0.449 57.101 57.345 0.342 0.000 1.765 1175 W CB 0.289 29.922 29.460 0.288 0.000 1.085 1175 W HN 0.011 nan 8.180 nan 0.000 0.596 1176 M N 0.482 120.297 119.600 0.358 0.000 2.274 1176 M HA 0.416 4.898 4.480 0.003 0.000 0.344 1176 M C 0.652 176.693 176.300 -0.432 0.000 1.161 1176 M CA -0.179 55.169 55.300 0.080 0.000 1.126 1176 M CB 1.166 33.781 32.600 0.025 0.000 1.522 1176 M HN -0.269 nan 8.290 nan 0.000 0.461 1177 A N 3.379 125.794 122.820 -0.676 0.000 2.313 1177 A HA 0.398 4.720 4.320 0.003 0.000 0.261 1177 A C -1.943 175.074 177.584 -0.946 0.000 1.090 1177 A CA -1.342 49.886 52.037 -1.349 0.000 0.807 1177 A CB -0.358 18.218 19.000 -0.707 0.000 1.055 1177 A HN 0.604 nan 8.150 nan 0.000 0.492 1178 P HA -0.220 nan 4.420 nan 0.000 0.213 1178 P C 1.354 178.372 177.300 -0.471 0.000 1.170 1178 P CA 1.782 64.499 63.100 -0.638 0.000 0.902 1178 P CB -0.033 31.253 31.700 -0.691 0.000 0.789 1179 E N -0.080 119.821 120.200 -0.498 0.000 2.160 1179 E HA -0.153 4.199 4.350 0.003 0.000 0.195 1179 E C 1.650 178.040 176.600 -0.351 0.000 0.991 1179 E CA 1.674 57.861 56.400 -0.356 0.000 0.810 1179 E CB -1.265 28.245 29.700 -0.317 0.000 0.742 1179 E HN 0.192 nan 8.360 nan 0.000 0.466 1180 S N 1.202 116.624 115.700 -0.464 0.000 2.371 1180 S HA 0.036 4.508 4.470 0.003 0.000 0.224 1180 S C 2.179 176.543 174.600 -0.393 0.000 1.029 1180 S CA 0.820 58.653 58.200 -0.611 0.000 0.978 1180 S CB -0.221 62.467 63.200 -0.853 0.000 0.833 1180 S HN 0.200 nan 8.310 nan 0.000 0.466 1181 L N 1.205 122.242 121.223 -0.310 0.000 2.093 1181 L HA -0.059 4.283 4.340 0.003 0.000 0.208 1181 L C 2.545 179.332 176.870 -0.139 0.000 1.085 1181 L CA 1.223 55.950 54.840 -0.189 0.000 0.755 1181 L CB -0.377 41.565 42.059 -0.196 0.000 0.904 1181 L HN 0.249 nan 8.230 nan 0.000 0.435 1182 K N -0.081 120.224 120.400 -0.158 0.000 2.021 1182 K HA -0.116 4.206 4.320 0.003 0.000 0.205 1182 K C 1.288 177.839 176.600 -0.082 0.000 1.047 1182 K CA 1.487 57.713 56.287 -0.102 0.000 0.943 1182 K CB 0.191 32.635 32.500 -0.092 0.000 0.725 1182 K HN 0.246 nan 8.250 nan 0.000 0.439 1183 D N -1.367 118.968 120.400 -0.108 0.000 2.379 1183 D HA 0.083 4.725 4.640 0.003 0.000 0.208 1183 D C 0.590 176.859 176.300 -0.051 0.000 1.065 1183 D CA 0.792 54.750 54.000 -0.071 0.000 0.848 1183 D CB 1.022 41.779 40.800 -0.071 0.000 0.949 1183 D HN 0.528 nan 8.370 nan 0.000 0.509 1184 G N 2.048 110.790 108.800 -0.097 0.000 2.160 1184 G HA2 -0.250 3.712 3.960 0.003 0.000 0.251 1184 G HA3 -0.250 3.712 3.960 0.003 0.000 0.251 1184 G C 0.425 175.346 174.900 0.034 0.000 1.008 1184 G CA 0.567 45.671 45.100 0.006 0.000 0.724 1184 G HN 0.424 nan 8.290 nan 0.000 0.514 1185 V N -1.861 117.944 119.914 -0.182 0.000 2.427 1185 V HA 0.898 5.020 4.120 0.003 0.000 0.286 1185 V C -0.220 175.712 176.094 -0.270 0.000 1.034 1185 V CA -1.606 60.659 62.300 -0.058 0.000 0.893 1185 V CB 1.024 32.823 31.823 -0.041 0.000 0.982 1185 V HN 0.357 nan 8.190 nan 0.000 0.452 1186 F N 3.759 123.724 119.950 0.024 0.000 2.495 1186 F HA 0.876 5.404 4.527 0.000 0.000 0.327 1186 F C 0.704 176.542 175.800 0.063 0.000 1.103 1186 F CA 0.007 58.038 58.000 0.052 0.000 0.949 1186 F CB 2.253 41.297 39.000 0.074 0.000 1.142 1186 F HN 0.945 nan 8.300 nan 0.000 0.457 1187 T N -2.894 111.792 114.554 0.220 0.000 2.696 1187 T HA 0.291 4.643 4.350 0.003 0.000 0.291 1187 T C 0.618 175.445 174.700 0.212 0.000 1.095 1187 T CA -0.549 61.655 62.100 0.173 0.000 1.026 1187 T CB 1.252 70.179 68.868 0.099 0.000 1.390 1187 T HN 0.364 nan 8.240 nan 0.000 0.513 1188 T N 1.108 115.776 114.554 0.191 0.000 2.833 1188 T HA -0.053 4.299 4.350 0.003 0.000 0.269 1188 T C 2.104 176.944 174.700 0.233 0.000 1.054 1188 T CA 1.781 64.034 62.100 0.255 0.000 1.135 1188 T CB -0.608 68.392 68.868 0.220 0.000 0.869 1188 T HN 0.597 nan 8.240 nan 0.000 0.466 1189 S N 1.658 117.447 115.700 0.148 0.000 2.383 1189 S HA -0.112 4.360 4.470 0.003 0.000 0.227 1189 S C 2.515 177.223 174.600 0.181 0.000 1.026 1189 S CA 1.333 59.602 58.200 0.115 0.000 0.981 1189 S CB -0.341 62.899 63.200 0.065 0.000 0.818 1189 S HN 0.774 nan 8.310 nan 0.000 0.472 1190 S N 1.734 117.540 115.700 0.176 0.000 2.406 1190 S HA -0.093 4.379 4.470 0.003 0.000 0.228 1190 S C 1.314 176.136 174.600 0.370 0.000 1.020 1190 S CA 0.983 59.301 58.200 0.196 0.000 0.965 1190 S CB -0.453 62.776 63.200 0.049 0.000 0.798 1190 S HN 0.286 nan 8.310 nan 0.000 0.488 1191 D N 1.324 121.963 120.400 0.400 0.000 2.144 1191 D HA -0.029 4.613 4.640 0.003 0.000 0.199 1191 D C 1.741 178.401 176.300 0.600 0.000 0.984 1191 D CA 1.072 55.377 54.000 0.508 0.000 0.834 1191 D CB -0.380 40.738 40.800 0.531 0.000 0.955 1191 D HN 0.387 nan 8.370 nan 0.000 0.465 1192 M N -0.208 119.639 119.600 0.411 0.000 2.229 1192 M HA -0.101 4.381 4.480 0.003 0.000 0.264 1192 M C 1.765 178.284 176.300 0.365 0.000 1.063 1192 M CA 1.136 56.540 55.300 0.173 0.000 1.114 1192 M CB -0.501 32.012 32.600 -0.146 0.000 1.387 1192 M HN 0.224 nan 8.290 nan 0.000 0.420 1193 W N 0.283 121.737 121.300 0.257 0.000 2.379 1193 W HA -0.144 4.520 4.660 0.006 0.000 0.307 1193 W C 1.854 178.642 176.519 0.449 0.000 1.200 1193 W CA 1.871 59.424 57.345 0.346 0.000 1.297 1193 W CB -0.912 28.701 29.460 0.255 0.000 1.140 1193 W HN 0.261 nan 8.180 nan 0.000 0.507 1194 S N 0.951 117.087 115.700 0.728 0.000 2.383 1194 S HA -0.240 4.233 4.470 0.003 0.000 0.229 1194 S C 1.540 176.477 174.600 0.560 0.000 1.030 1194 S CA 1.632 60.240 58.200 0.681 0.000 1.002 1194 S CB -1.072 62.496 63.200 0.613 0.000 0.829 1194 S HN 0.333 nan 8.310 nan 0.000 0.467 1195 F N 2.735 122.907 119.950 0.370 0.000 2.134 1195 F HA -0.012 4.517 4.527 0.003 0.000 0.299 1195 F C 2.266 178.156 175.800 0.150 0.000 1.097 1195 F CA 1.180 59.352 58.000 0.288 0.000 1.264 1195 F CB -1.056 38.158 39.000 0.358 0.000 1.001 1195 F HN 0.205 nan 8.300 nan 0.000 0.479 1196 G N -0.077 108.692 108.800 -0.051 0.000 2.442 1196 G HA2 -0.211 3.751 3.960 0.003 0.000 0.219 1196 G HA3 -0.211 3.751 3.960 0.003 0.000 0.219 1196 G C 1.714 176.563 174.900 -0.085 0.000 1.141 1196 G CA 1.226 46.058 45.100 -0.447 0.000 0.763 1196 G HN 0.355 nan 8.290 nan 0.000 0.554 1197 V N 0.496 120.584 119.914 0.290 0.000 2.515 1197 V HA -0.132 3.990 4.120 0.003 0.000 0.250 1197 V C 2.967 179.287 176.094 0.376 0.000 1.058 1197 V CA 1.261 63.781 62.300 0.366 0.000 1.064 1197 V CB -0.165 31.783 31.823 0.209 0.000 0.675 1197 V HN 0.253 nan 8.190 nan 0.000 0.461 1198 V N -0.155 119.928 119.914 0.282 0.000 2.358 1198 V HA -0.217 3.905 4.120 0.003 0.000 0.246 1198 V C 2.332 178.461 176.094 0.059 0.000 1.047 1198 V CA 1.678 64.117 62.300 0.231 0.000 1.035 1198 V CB -0.521 31.404 31.823 0.170 0.000 0.658 1198 V HN 0.435 nan 8.190 nan 0.000 0.452 1199 L N -1.339 119.783 121.223 -0.168 0.000 2.042 1199 L HA -0.241 4.101 4.340 0.003 0.000 0.210 1199 L C 2.339 179.185 176.870 -0.039 0.000 1.076 1199 L CA 2.380 57.088 54.840 -0.219 0.000 0.749 1199 L CB -0.577 41.228 42.059 -0.423 0.000 0.893 1199 L HN 0.559 nan 8.230 nan 0.000 0.432 1200 W N 1.378 122.614 121.300 -0.108 0.000 2.358 1200 W HA -0.184 4.479 4.660 0.005 0.000 0.303 1200 W C 2.400 178.915 176.519 -0.007 0.000 1.208 1200 W CA 1.532 58.864 57.345 -0.021 0.000 1.274 1200 W CB -0.016 29.511 29.460 0.111 0.000 1.138 1200 W HN 0.083 nan 8.180 nan 0.000 0.515 1201 E N 0.228 120.586 120.200 0.262 0.000 2.085 1201 E HA -0.263 4.089 4.350 0.003 0.000 0.194 1201 E C 2.109 178.653 176.600 -0.094 0.000 0.994 1201 E CA 1.975 58.432 56.400 0.096 0.000 0.801 1201 E CB -0.483 29.409 29.700 0.319 0.000 0.743 1201 E HN 0.379 nan 8.360 nan 0.000 0.453 1202 I N 0.960 121.502 120.570 -0.047 0.000 2.142 1202 I HA -0.249 3.923 4.170 0.003 0.000 0.240 1202 I C 2.661 178.689 176.117 -0.147 0.000 1.078 1202 I CA 1.629 62.887 61.300 -0.070 0.000 1.343 1202 I CB -0.482 37.490 38.000 -0.046 0.000 1.046 1202 I HN 0.205 nan 8.210 nan 0.000 0.405 1203 T N -2.722 111.714 114.554 -0.197 0.000 3.163 1203 T HA -0.009 4.343 4.350 0.003 0.000 0.260 1203 T C 1.343 175.849 174.700 -0.323 0.000 1.156 1203 T CA 0.833 62.798 62.100 -0.224 0.000 1.072 1203 T CB -0.319 68.430 68.868 -0.197 0.000 0.937 1203 T HN 0.427 nan 8.240 nan 0.000 0.528 1204 S N 0.500 115.928 115.700 -0.454 0.000 2.666 1204 S HA 0.374 4.846 4.470 0.003 0.000 0.239 1204 S C 0.642 175.032 174.600 -0.351 0.000 1.031 1204 S CA -0.599 57.282 58.200 -0.533 0.000 1.015 1204 S CB -0.550 62.002 63.200 -1.080 0.000 0.981 1204 S HN 0.467 nan 8.310 nan 0.000 0.547 1205 L N 0.902 121.974 121.223 -0.251 0.000 3.601 1205 L HA -0.261 4.081 4.340 0.003 0.000 0.469 1205 L C 0.832 177.627 176.870 -0.125 0.000 1.294 1205 L CA 0.078 54.820 54.840 -0.163 0.000 0.829 1205 L CB -2.349 39.621 42.059 -0.148 0.000 1.628 1205 L HN 0.856 nan 8.230 nan 0.000 0.868 1206 A N -0.535 122.223 122.820 -0.103 0.000 2.791 1206 A HA -0.213 4.109 4.320 0.003 0.000 0.292 1206 A C 0.635 178.225 177.584 0.010 0.000 1.487 1206 A CA 1.523 53.564 52.037 0.007 0.000 0.760 1206 A CB -0.997 18.034 19.000 0.052 0.000 1.031 1206 A HN 0.724 nan 8.150 nan 0.000 0.503 1207 E N -0.189 119.936 120.200 -0.124 0.000 2.390 1207 E HA 0.410 4.762 4.350 0.003 0.000 0.261 1207 E C 0.502 177.233 176.600 0.219 0.000 1.076 1207 E CA 0.065 56.440 56.400 -0.042 0.000 0.905 1207 E CB 0.423 29.985 29.700 -0.228 0.000 0.984 1207 E HN 0.599 nan 8.360 nan 0.000 0.427 1208 Q N 5.222 125.164 119.800 0.237 0.000 2.281 1208 Q HA 0.181 4.523 4.340 0.003 0.000 0.267 1208 Q C -2.215 173.950 176.000 0.274 0.000 1.053 1208 Q CA -1.603 54.354 55.803 0.258 0.000 0.905 1208 Q CB 0.753 29.592 28.738 0.168 0.000 1.195 1208 Q HN 0.224 nan 8.270 nan 0.000 0.398 1209 P HA -0.097 nan 4.420 nan 0.000 0.269 1209 P C -0.845 176.248 177.300 -0.344 0.000 1.209 1209 P CA 0.179 62.937 63.100 -0.571 0.000 0.776 1209 P CB 0.199 31.316 31.700 -0.971 0.000 0.876 1210 Y N -2.386 117.709 120.300 -0.341 0.000 3.396 1210 Y HA -0.231 4.321 4.550 0.004 0.000 0.214 1210 Y C 1.067 176.907 175.900 -0.099 0.000 1.203 1210 Y CA 0.702 58.683 58.100 -0.199 0.000 1.401 1210 Y CB -2.873 35.481 38.460 -0.177 0.000 1.409 1210 Y HN 0.390 nan 8.280 nan 0.000 0.594 1211 Q N 1.209 121.026 119.800 0.028 0.000 2.283 1211 Q HA 0.339 4.682 4.340 0.003 0.000 0.301 1211 Q C 1.348 177.366 176.000 0.030 0.000 1.063 1211 Q CA 1.746 57.582 55.803 0.054 0.000 0.952 1211 Q CB 0.613 29.396 28.738 0.074 0.000 1.166 1211 Q HN 0.781 nan 8.270 nan 0.000 0.381 1212 G N 3.184 112.000 108.800 0.027 0.000 3.211 1212 G HA2 -0.219 3.743 3.960 0.003 0.000 0.206 1212 G HA3 -0.219 3.743 3.960 0.003 0.000 0.206 1212 G C -0.511 174.387 174.900 -0.004 0.000 1.418 1212 G CA -0.173 44.929 45.100 0.004 0.000 0.958 1212 G HN 0.618 nan 8.290 nan 0.000 0.567 1213 L N 2.463 123.679 121.223 -0.011 0.000 2.492 1213 L HA 0.465 4.807 4.340 0.003 0.000 0.280 1213 L C 1.470 178.339 176.870 -0.003 0.000 1.240 1213 L CA 1.045 55.869 54.840 -0.027 0.000 0.831 1213 L CB 0.533 42.562 42.059 -0.050 0.000 1.100 1213 L HN 0.874 nan 8.230 nan 0.000 0.505 1214 S N 0.790 116.482 115.700 -0.013 0.000 2.654 1214 S HA 0.311 4.783 4.470 0.003 0.000 0.283 1214 S C 0.923 175.518 174.600 -0.008 0.000 1.180 1214 S CA -0.711 57.490 58.200 0.001 0.000 1.021 1214 S CB 1.116 64.315 63.200 -0.001 0.000 1.018 1214 S HN 0.581 nan 8.310 nan 0.000 0.532 1215 N N 1.446 120.150 118.700 0.008 0.000 2.073 1215 N HA -0.270 4.472 4.740 0.003 0.000 0.199 1215 N C 1.542 177.039 175.510 -0.022 0.000 1.023 1215 N CA 2.175 55.227 53.050 0.002 0.000 0.880 1215 N CB -0.396 38.107 38.487 0.028 0.000 1.052 1215 N HN 0.783 nan 8.380 nan 0.000 0.449 1216 E N 0.904 121.096 120.200 -0.013 0.000 2.118 1216 E HA -0.236 4.116 4.350 0.003 0.000 0.195 1216 E C 2.018 178.601 176.600 -0.029 0.000 0.992 1216 E CA 1.008 57.397 56.400 -0.018 0.000 0.804 1216 E CB -0.166 29.529 29.700 -0.009 0.000 0.741 1216 E HN 0.496 nan 8.360 nan 0.000 0.458 1217 Q N 0.480 120.261 119.800 -0.032 0.000 2.079 1217 Q HA -0.111 4.231 4.340 0.003 0.000 0.200 1217 Q C 2.428 178.402 176.000 -0.043 0.000 0.974 1217 Q CA 1.188 56.969 55.803 -0.035 0.000 0.840 1217 Q CB 0.041 28.750 28.738 -0.048 0.000 0.898 1217 Q HN 0.139 nan 8.270 nan 0.000 0.430 1218 V N 1.268 121.125 119.914 -0.096 0.000 2.343 1218 V HA -0.267 3.855 4.120 0.003 0.000 0.247 1218 V C 2.241 178.220 176.094 -0.192 0.000 1.051 1218 V CA 1.446 63.613 62.300 -0.221 0.000 1.036 1218 V CB -0.591 31.038 31.823 -0.323 0.000 0.654 1218 V HN 0.377 nan 8.190 nan 0.000 0.451 1219 L N -0.112 121.035 121.223 -0.127 0.000 1.971 1219 L HA -0.298 4.044 4.340 0.003 0.000 0.215 1219 L C 2.598 179.413 176.870 -0.092 0.000 1.072 1219 L CA 2.522 57.296 54.840 -0.110 0.000 0.758 1219 L CB -0.818 41.202 42.059 -0.066 0.000 0.889 1219 L HN 0.356 nan 8.230 nan 0.000 0.433 1220 K N -0.325 120.048 120.400 -0.045 0.000 2.002 1220 K HA -0.244 4.078 4.320 0.003 0.000 0.209 1220 K C 2.231 178.837 176.600 0.010 0.000 1.048 1220 K CA 1.568 57.845 56.287 -0.017 0.000 0.930 1220 K CB -0.290 32.211 32.500 0.002 0.000 0.714 1220 K HN 0.032 nan 8.250 nan 0.000 0.438 1221 F N 1.467 121.333 119.950 -0.139 0.000 2.065 1221 F HA -0.257 4.273 4.527 0.005 0.000 0.298 1221 F C 1.853 177.577 175.800 -0.126 0.000 1.112 1221 F CA 1.595 59.511 58.000 -0.139 0.000 1.212 1221 F CB -0.736 38.158 39.000 -0.176 0.000 0.975 1221 F HN -0.156 nan 8.300 nan 0.000 0.476 1222 V N 0.528 120.228 119.914 -0.356 0.000 2.295 1222 V HA -0.346 3.777 4.120 0.003 0.000 0.246 1222 V C 2.579 178.539 176.094 -0.223 0.000 1.049 1222 V CA 2.236 64.299 62.300 -0.395 0.000 1.024 1222 V CB -0.675 30.945 31.823 -0.338 0.000 0.648 1222 V HN 0.390 nan 8.190 nan 0.000 0.447 1223 M N -0.298 119.207 119.600 -0.159 0.000 2.346 1223 M HA -0.184 4.298 4.480 0.003 0.000 0.263 1223 M C 1.142 177.444 176.300 0.004 0.000 1.064 1223 M CA 1.460 56.724 55.300 -0.059 0.000 1.083 1223 M CB -0.313 32.249 32.600 -0.064 0.000 1.399 1223 M HN 0.351 nan 8.290 nan 0.000 0.435 1224 D N -0.873 119.479 120.400 -0.080 0.000 2.325 1224 D HA 0.176 4.818 4.640 0.003 0.000 0.225 1224 D C 1.225 177.421 176.300 -0.174 0.000 1.096 1224 D CA 0.740 54.677 54.000 -0.106 0.000 0.844 1224 D CB 0.514 41.273 40.800 -0.069 0.000 0.925 1224 D HN 0.532 nan 8.370 nan 0.000 0.513 1225 G N 0.487 109.205 108.800 -0.138 0.000 2.179 1225 G HA2 -0.183 3.779 3.960 0.003 0.000 0.220 1225 G HA3 -0.183 3.779 3.960 0.003 0.000 0.220 1225 G C 0.762 175.540 174.900 -0.203 0.000 0.990 1225 G CA -0.197 44.839 45.100 -0.107 0.000 0.646 1225 G HN 0.546 nan 8.290 nan 0.000 0.517 1226 G N -0.352 108.068 108.800 -0.633 0.000 2.599 1226 G HA2 0.769 4.731 3.960 0.003 0.000 0.264 1226 G HA3 0.769 4.731 3.960 0.003 0.000 0.264 1226 G C -0.362 174.096 174.900 -0.736 0.000 1.200 1226 G CA 0.075 44.368 45.100 -1.345 0.000 0.896 1226 G HN 1.683 nan 8.290 nan 0.000 0.536 1227 Y N -2.443 117.610 120.300 -0.412 0.000 2.687 1227 Y HA 0.492 5.043 4.550 0.003 0.000 0.338 1227 Y C -0.496 175.315 175.900 -0.149 0.000 1.189 1227 Y CA -1.714 56.227 58.100 -0.266 0.000 1.097 1227 Y CB 0.474 38.691 38.460 -0.405 0.000 1.342 1227 Y HN 0.526 nan 8.280 nan 0.000 0.461 1228 L N 3.041 124.031 121.223 -0.388 0.000 2.503 1228 L HA 0.056 4.398 4.340 0.003 0.000 0.287 1228 L C 0.049 176.963 176.870 0.074 0.000 1.252 1228 L CA 0.418 54.984 54.840 -0.457 0.000 0.835 1228 L CB 0.076 41.424 42.059 -1.186 0.000 1.099 1228 L HN 0.615 nan 8.230 nan 0.000 0.516 1229 D N 0.488 120.966 120.400 0.131 0.000 2.348 1229 D HA 0.138 4.780 4.640 0.003 0.000 0.249 1229 D C -0.080 176.454 176.300 0.390 0.000 1.110 1229 D CA -0.458 53.697 54.000 0.259 0.000 0.967 1229 D CB 0.709 41.616 40.800 0.179 0.000 1.139 1229 D HN 0.319 nan 8.370 nan 0.000 0.466 1230 Q N 1.496 121.471 119.800 0.292 0.000 2.304 1230 Q HA 0.249 4.591 4.340 0.003 0.000 0.260 1230 Q C -1.842 174.253 176.000 0.159 0.000 0.965 1230 Q CA -1.289 54.656 55.803 0.238 0.000 0.898 1230 Q CB 0.549 29.368 28.738 0.135 0.000 1.196 1230 Q HN 0.269 nan 8.270 nan 0.000 0.402 1231 P HA 0.015 nan 4.420 nan 0.000 0.274 1231 P C -0.273 176.996 177.300 -0.051 0.000 1.260 1231 P CA -0.476 62.583 63.100 -0.067 0.000 0.793 1231 P CB 0.670 32.185 31.700 -0.309 0.000 1.048 1232 D N 0.211 120.570 120.400 -0.070 0.000 2.487 1232 D HA -0.044 4.598 4.640 0.003 0.000 0.243 1232 D C 0.471 176.735 176.300 -0.060 0.000 1.154 1232 D CA 0.651 54.619 54.000 -0.053 0.000 0.876 1232 D CB -0.641 40.125 40.800 -0.057 0.000 1.161 1232 D HN 0.309 nan 8.370 nan 0.000 0.478 1233 N N 0.911 119.586 118.700 -0.042 0.000 2.713 1233 N HA -0.255 4.487 4.740 0.003 0.000 0.251 1233 N C -0.111 175.368 175.510 -0.051 0.000 1.117 1233 N CA 0.708 53.733 53.050 -0.043 0.000 0.770 1233 N CB -1.552 36.907 38.487 -0.047 0.000 1.137 1233 N HN 0.459 nan 8.380 nan 0.000 0.566 1234 C N 1.432 120.699 119.300 -0.055 0.000 2.517 1234 C HA 0.120 4.582 4.460 0.003 0.000 0.403 1234 C C -1.514 173.444 174.990 -0.053 0.000 1.467 1234 C CA -1.394 57.586 59.018 -0.064 0.000 1.542 1234 C CB -0.521 27.186 27.740 -0.056 0.000 2.482 1234 C HN 0.244 nan 8.230 nan 0.000 0.610 1235 P HA 0.033 nan 4.420 nan 0.000 0.262 1235 P C 0.572 177.840 177.300 -0.053 0.000 1.182 1235 P CA 0.527 63.594 63.100 -0.054 0.000 0.761 1235 P CB 0.387 32.051 31.700 -0.059 0.000 0.795 1236 E N 3.929 124.103 120.200 -0.043 0.000 2.204 1236 E HA -0.235 4.117 4.350 0.003 0.000 0.194 1236 E C 1.770 178.337 176.600 -0.055 0.000 0.989 1236 E CA 0.565 56.940 56.400 -0.043 0.000 0.824 1236 E CB -0.274 29.407 29.700 -0.030 0.000 0.756 1236 E HN 0.303 nan 8.360 nan 0.000 0.477 1237 R N 1.024 121.491 120.500 -0.055 0.000 2.081 1237 R HA -0.119 4.223 4.340 0.003 0.000 0.235 1237 R C 2.123 178.375 176.300 -0.080 0.000 1.131 1237 R CA 1.602 57.666 56.100 -0.061 0.000 0.960 1237 R CB -0.116 30.151 30.300 -0.054 0.000 0.856 1237 R HN 0.168 nan 8.270 nan 0.000 0.436 1238 V N 0.114 119.975 119.914 -0.088 0.000 2.453 1238 V HA -0.163 3.959 4.120 0.003 0.000 0.247 1238 V C 2.085 178.087 176.094 -0.153 0.000 1.048 1238 V CA 2.087 64.315 62.300 -0.119 0.000 1.049 1238 V CB -0.383 31.371 31.823 -0.115 0.000 0.672 1238 V HN 0.432 nan 8.190 nan 0.000 0.457 1239 T N -0.146 114.337 114.554 -0.119 0.000 2.833 1239 T HA -0.182 4.170 4.350 0.003 0.000 0.269 1239 T C 1.591 176.196 174.700 -0.159 0.000 1.054 1239 T CA 1.601 63.627 62.100 -0.123 0.000 1.135 1239 T CB -0.333 68.499 68.868 -0.061 0.000 0.869 1239 T HN 0.496 nan 8.240 nan 0.000 0.466 1240 D N 1.164 121.486 120.400 -0.130 0.000 2.097 1240 D HA 0.008 4.651 4.640 0.003 0.000 0.197 1240 D C 2.179 178.374 176.300 -0.175 0.000 0.984 1240 D CA 0.727 54.652 54.000 -0.126 0.000 0.826 1240 D CB -0.393 40.356 40.800 -0.086 0.000 0.973 1240 D HN 0.324 nan 8.370 nan 0.000 0.460 1241 L N 0.156 121.270 121.223 -0.182 0.000 2.017 1241 L HA -0.156 4.186 4.340 0.003 0.000 0.208 1241 L C 2.705 179.351 176.870 -0.373 0.000 1.073 1241 L CA 0.953 55.672 54.840 -0.201 0.000 0.745 1241 L CB -0.378 41.599 42.059 -0.137 0.000 0.894 1241 L HN 0.005 nan 8.230 nan 0.000 0.432 1242 M N -0.469 118.812 119.600 -0.531 0.000 2.106 1242 M HA -0.289 4.193 4.480 0.003 0.000 0.259 1242 M C 2.957 178.652 176.300 -1.009 0.000 1.068 1242 M CA 2.419 57.102 55.300 -1.029 0.000 1.100 1242 M CB -0.535 31.424 32.600 -1.068 0.000 1.351 1242 M HN 0.342 nan 8.290 nan 0.000 0.404 1243 R N 0.332 120.504 120.500 -0.546 0.000 2.081 1243 R HA -0.108 4.234 4.340 0.003 0.000 0.235 1243 R C 1.644 177.771 176.300 -0.288 0.000 1.131 1243 R CA 2.174 58.056 56.100 -0.363 0.000 0.960 1243 R CB -1.587 28.591 30.300 -0.203 0.000 0.856 1243 R HN 0.495 nan 8.270 nan 0.000 0.436 1244 M N -0.198 119.248 119.600 -0.256 0.000 2.175 1244 M HA -0.097 4.385 4.480 0.003 0.000 0.264 1244 M C 2.571 178.766 176.300 -0.175 0.000 1.063 1244 M CA 1.437 56.639 55.300 -0.164 0.000 1.119 1244 M CB -0.307 32.215 32.600 -0.131 0.000 1.377 1244 M HN 0.430 nan 8.290 nan 0.000 0.415 1245 C N -0.869 118.230 119.300 -0.334 0.000 2.446 1245 C HA -0.104 4.358 4.460 0.003 0.000 0.279 1245 C C 1.543 176.405 174.990 -0.213 0.000 1.366 1245 C CA 0.216 59.043 59.018 -0.319 0.000 1.763 1245 C CB -0.892 26.521 27.740 -0.544 0.000 1.929 1245 C HN 0.657 nan 8.230 nan 0.000 0.509 1246 W N 0.893 121.956 121.300 -0.396 0.000 3.194 1246 W HA 0.316 4.977 4.660 0.002 0.000 0.408 1246 W C 0.453 176.956 176.519 -0.027 0.000 1.072 1246 W CA -0.693 56.321 57.345 -0.553 0.000 1.953 1246 W CB -1.130 27.764 29.460 -0.942 0.000 1.091 1246 W HN 0.362 nan 8.180 nan 0.000 0.699 1247 Q N 0.319 120.251 119.800 0.220 0.000 2.330 1247 Q HA -0.068 4.274 4.340 0.003 0.000 0.279 1247 Q C 1.132 177.343 176.000 0.352 0.000 1.024 1247 Q CA 0.097 56.039 55.803 0.230 0.000 0.900 1247 Q CB 0.698 29.516 28.738 0.134 0.000 1.221 1247 Q HN 0.208 nan 8.270 nan 0.000 0.396 1248 F N 2.832 122.915 119.950 0.221 0.000 2.171 1248 F HA -0.145 4.384 4.527 0.002 0.000 0.300 1248 F C 0.986 176.845 175.800 0.099 0.000 1.090 1248 F CA 0.997 59.101 58.000 0.173 0.000 1.293 1248 F CB 0.246 39.310 39.000 0.108 0.000 1.013 1248 F HN 0.592 nan 8.300 nan 0.000 0.486 1249 N N 1.660 120.435 118.700 0.125 0.000 2.406 1249 N HA 0.076 4.818 4.740 0.003 0.000 0.251 1249 N C -1.803 173.710 175.510 0.005 0.000 1.069 1249 N CA -1.486 51.585 53.050 0.034 0.000 0.947 1249 N CB 1.026 39.583 38.487 0.117 0.000 1.111 1249 N HN -0.052 nan 8.380 nan 0.000 0.497 1250 P HA -0.188 nan 4.420 nan 0.000 0.218 1250 P C 0.140 177.450 177.300 0.017 0.000 1.146 1250 P CA 1.344 64.436 63.100 -0.013 0.000 0.820 1250 P CB 0.217 31.886 31.700 -0.052 0.000 0.778 1251 N N -1.104 117.605 118.700 0.015 0.000 2.515 1251 N HA 0.034 4.776 4.740 0.003 0.000 0.185 1251 N C 1.514 177.040 175.510 0.026 0.000 1.109 1251 N CA 0.686 53.748 53.050 0.020 0.000 0.903 1251 N CB -0.251 38.248 38.487 0.020 0.000 0.969 1251 N HN 0.232 nan 8.380 nan 0.000 0.450 1252 M N 0.234 119.857 119.600 0.038 0.000 2.510 1252 M HA 0.089 4.571 4.480 0.003 0.000 0.256 1252 M C 0.537 176.854 176.300 0.027 0.000 1.132 1252 M CA 0.341 55.665 55.300 0.040 0.000 1.105 1252 M CB -0.007 32.633 32.600 0.066 0.000 1.375 1252 M HN -0.027 nan 8.290 nan 0.000 0.477 1253 R N 1.535 122.053 120.500 0.030 0.000 2.641 1253 R HA 0.227 4.569 4.340 0.003 0.000 0.269 1253 R C -2.069 174.211 176.300 -0.034 0.000 1.074 1253 R CA -1.227 54.876 56.100 0.006 0.000 1.133 1253 R CB -0.259 30.064 30.300 0.039 0.000 1.029 1253 R HN 0.071 nan 8.270 nan 0.000 0.488 1254 P HA 0.065 nan 4.420 nan 0.000 0.277 1254 P C -0.648 176.552 177.300 -0.166 0.000 1.271 1254 P CA -0.410 62.633 63.100 -0.095 0.000 0.795 1254 P CB 0.835 32.476 31.700 -0.099 0.000 1.101 1255 T N -3.018 111.455 114.554 -0.134 0.000 2.943 1255 T HA 0.344 4.696 4.350 0.003 0.000 0.284 1255 T C 1.058 175.635 174.700 -0.206 0.000 1.015 1255 T CA -0.431 61.577 62.100 -0.152 0.000 1.042 1255 T CB 0.244 69.112 68.868 -0.001 0.000 1.055 1255 T HN 0.083 nan 8.240 nan 0.000 0.500 1256 F N 0.171 120.113 119.950 -0.012 0.000 2.161 1256 F HA 0.043 4.571 4.527 0.002 0.000 0.300 1256 F C 2.254 178.074 175.800 0.034 0.000 1.089 1256 F CA 1.015 58.975 58.000 -0.065 0.000 1.282 1256 F CB -0.802 38.157 39.000 -0.067 0.000 1.010 1256 F HN 0.450 nan 8.300 nan 0.000 0.485 1257 L N -0.341 121.047 121.223 0.275 0.000 2.046 1257 L HA -0.234 4.109 4.340 0.003 0.000 0.208 1257 L C 2.348 179.369 176.870 0.251 0.000 1.077 1257 L CA 1.537 56.572 54.840 0.323 0.000 0.747 1257 L CB -0.657 41.554 42.059 0.254 0.000 0.896 1257 L HN 0.164 nan 8.230 nan 0.000 0.432 1258 E N -0.060 120.216 120.200 0.127 0.000 2.118 1258 E HA -0.233 4.119 4.350 0.003 0.000 0.195 1258 E C 2.223 178.837 176.600 0.024 0.000 0.992 1258 E CA 1.046 57.489 56.400 0.071 0.000 0.804 1258 E CB 0.035 29.744 29.700 0.016 0.000 0.741 1258 E HN 0.374 nan 8.360 nan 0.000 0.458 1259 I N 0.696 121.259 120.570 -0.011 0.000 2.179 1259 I HA -0.218 3.954 4.170 0.003 0.000 0.242 1259 I C 2.425 178.509 176.117 -0.055 0.000 1.088 1259 I CA 1.059 62.338 61.300 -0.035 0.000 1.357 1259 I CB -1.092 36.858 38.000 -0.083 0.000 1.051 1259 I HN 0.028 nan 8.210 nan 0.000 0.409 1260 V N 1.434 121.311 119.914 -0.061 0.000 2.295 1260 V HA -0.293 3.829 4.120 0.003 0.000 0.246 1260 V C 2.333 178.166 176.094 -0.434 0.000 1.049 1260 V CA 2.255 64.406 62.300 -0.248 0.000 1.024 1260 V CB -1.135 30.519 31.823 -0.282 0.000 0.648 1260 V HN 0.419 nan 8.190 nan 0.000 0.447 1261 N N 0.174 118.708 118.700 -0.275 0.000 2.192 1261 N HA -0.183 4.560 4.740 0.003 0.000 0.188 1261 N C 1.358 176.814 175.510 -0.089 0.000 1.013 1261 N CA 1.338 54.316 53.050 -0.119 0.000 0.863 1261 N CB -0.271 38.334 38.487 0.197 0.000 0.990 1261 N HN 0.337 nan 8.380 nan 0.000 0.430 1262 L N -0.250 120.928 121.223 -0.076 0.000 2.465 1262 L HA 0.085 4.427 4.340 0.003 0.000 0.224 1262 L C 1.270 178.086 176.870 -0.089 0.000 1.145 1262 L CA 0.960 55.764 54.840 -0.059 0.000 0.834 1262 L CB -0.078 41.956 42.059 -0.042 0.000 0.944 1262 L HN 0.295 nan 8.230 nan 0.000 0.451 1263 L N -1.721 119.413 121.223 -0.149 0.000 2.920 1263 L HA 0.100 4.442 4.340 0.003 0.000 0.257 1263 L C 2.067 178.798 176.870 -0.231 0.000 1.150 1263 L CA -0.092 54.644 54.840 -0.173 0.000 0.959 1263 L CB -0.207 41.740 42.059 -0.185 0.000 1.321 1263 L HN 0.158 nan 8.230 nan 0.000 0.555 1264 K N 0.168 120.416 120.400 -0.253 0.000 2.127 1264 K HA -0.246 4.076 4.320 0.003 0.000 0.208 1264 K C 0.876 177.430 176.600 -0.076 0.000 1.047 1264 K CA 2.071 58.243 56.287 -0.191 0.000 0.927 1264 K CB -0.288 32.138 32.500 -0.123 0.000 0.716 1264 K HN 0.192 nan 8.250 nan 0.000 0.450 1265 D N 1.761 122.127 120.400 -0.057 0.000 2.097 1265 D HA -0.087 4.555 4.640 0.003 0.000 0.197 1265 D C 0.445 176.713 176.300 -0.053 0.000 0.984 1265 D CA 1.097 55.079 54.000 -0.030 0.000 0.826 1265 D CB -0.232 40.556 40.800 -0.019 0.000 0.973 1265 D HN 0.356 nan 8.370 nan 0.000 0.460 1266 D N 0.974 121.325 120.400 -0.081 0.000 3.085 1266 D HA 0.143 4.785 4.640 0.003 0.000 0.243 1266 D C 0.297 176.535 176.300 -0.104 0.000 1.232 1266 D CA 0.107 54.060 54.000 -0.079 0.000 0.913 1266 D CB 0.277 41.035 40.800 -0.071 0.000 1.108 1266 D HN 0.201 nan 8.370 nan 0.000 0.468 1267 L N -0.344 120.812 121.223 -0.110 0.000 2.309 1267 L HA 0.261 4.603 4.340 0.003 0.000 0.261 1267 L C 0.554 177.434 176.870 0.016 0.000 1.021 1267 L CA -1.167 53.601 54.840 -0.120 0.000 0.823 1267 L CB 2.331 44.168 42.059 -0.369 0.000 1.366 1267 L HN 0.148 nan 8.230 nan 0.000 0.423 1268 H N 2.239 121.305 119.070 -0.007 0.000 3.064 1268 H HA -0.019 4.539 4.556 0.003 0.000 0.329 1268 H C -1.928 173.456 175.328 0.094 0.000 1.020 1268 H CA -0.609 55.473 56.048 0.057 0.000 1.402 1268 H CB 1.456 31.278 29.762 0.100 0.000 1.379 1268 H HN 0.295 nan 8.280 nan 0.000 0.594 1269 P HA -0.193 nan 4.420 nan 0.000 0.217 1269 P C 1.467 178.878 177.300 0.185 0.000 1.148 1269 P CA 2.216 65.330 63.100 0.024 0.000 0.834 1269 P CB 0.111 31.744 31.700 -0.111 0.000 0.783 1270 S N -2.380 113.586 115.700 0.443 0.000 2.489 1270 S HA -0.110 4.362 4.470 0.003 0.000 0.228 1270 S C 1.774 176.494 174.600 0.201 0.000 0.995 1270 S CA 0.054 58.416 58.200 0.271 0.000 0.934 1270 S CB -1.593 61.748 63.200 0.234 0.000 0.771 1270 S HN -0.000 nan 8.310 nan 0.000 0.522 1271 F N 4.021 124.062 119.950 0.151 0.000 2.063 1271 F HA -0.040 4.489 4.527 0.003 0.000 0.298 1271 F C -1.110 174.762 175.800 0.121 0.000 1.109 1271 F CA 1.473 59.563 58.000 0.149 0.000 1.212 1271 F CB -1.379 37.721 39.000 0.166 0.000 0.973 1271 F HN 0.230 nan 8.300 nan 0.000 0.480 1272 P HA -0.155 nan 4.420 nan 0.000 0.222 1272 P C 0.855 178.092 177.300 -0.105 0.000 1.147 1272 P CA 1.786 64.734 63.100 -0.252 0.000 0.790 1272 P CB -0.141 31.276 31.700 -0.471 0.000 0.780 1273 E N -0.944 119.207 120.200 -0.082 0.000 2.371 1273 E HA -0.037 4.316 4.350 0.003 0.000 0.194 1273 E C 1.562 178.071 176.600 -0.151 0.000 1.012 1273 E CA 1.010 57.358 56.400 -0.088 0.000 0.860 1273 E CB -0.044 29.616 29.700 -0.066 0.000 0.811 1273 E HN 0.270 nan 8.360 nan 0.000 0.502 1274 V N -1.768 118.008 119.914 -0.230 0.000 3.473 1274 V HA 0.109 4.231 4.120 0.003 0.000 0.253 1274 V C 1.039 176.971 176.094 -0.271 0.000 1.340 1274 V CA -0.057 62.023 62.300 -0.367 0.000 1.103 1274 V CB 0.303 31.661 31.823 -0.775 0.000 0.881 1274 V HN 0.104 nan 8.190 nan 0.000 0.451 1275 S N 0.565 116.090 115.700 -0.292 0.000 2.566 1275 S HA 0.135 4.607 4.470 0.003 0.000 0.280 1275 S C 0.722 175.361 174.600 0.065 0.000 1.343 1275 S CA 0.459 58.538 58.200 -0.201 0.000 1.036 1275 S CB 0.399 63.233 63.200 -0.609 0.000 0.866 1275 S HN 0.601 nan 8.310 nan 0.000 0.526 1276 F N 2.673 122.661 119.950 0.064 0.000 2.234 1276 F HA 0.080 4.609 4.527 0.003 0.000 0.296 1276 F C 1.567 177.441 175.800 0.124 0.000 1.089 1276 F CA 0.430 58.493 58.000 0.105 0.000 1.343 1276 F CB -0.683 38.428 39.000 0.185 0.000 1.040 1276 F HN 0.725 nan 8.300 nan 0.000 0.498 1277 F N 1.397 121.220 119.950 -0.210 0.000 2.063 1277 F HA -0.276 4.252 4.527 0.003 0.000 0.298 1277 F C 2.055 177.597 175.800 -0.431 0.000 1.109 1277 F CA 2.467 60.239 58.000 -0.379 0.000 1.212 1277 F CB -0.877 37.989 39.000 -0.224 0.000 0.973 1277 F HN 0.092 nan 8.300 nan 0.000 0.480 1278 H N -0.634 118.497 119.070 0.102 0.000 2.536 1278 H HA 0.183 4.742 4.556 0.004 0.000 0.276 1278 H C 0.934 176.203 175.328 -0.099 0.000 1.019 1278 H CA 0.187 56.242 56.048 0.013 0.000 1.159 1278 H CB -0.393 29.448 29.762 0.132 0.000 1.373 1278 H HN 0.143 nan 8.280 nan 0.000 0.584 1279 S N -0.315 115.322 115.700 -0.105 0.000 2.632 1279 S HA 0.281 4.753 4.470 0.003 0.000 0.267 1279 S C 1.682 176.216 174.600 -0.111 0.000 1.276 1279 S CA -0.130 58.025 58.200 -0.074 0.000 0.998 1279 S CB 1.437 64.629 63.200 -0.014 0.000 0.953 1279 S HN 0.487 nan 8.310 nan 0.000 0.547 1280 E N 0.391 120.570 120.200 -0.036 0.000 2.150 1280 E HA -0.090 4.262 4.350 0.003 0.000 0.193 1280 E C 1.710 178.297 176.600 -0.022 0.000 0.985 1280 E CA 1.516 57.899 56.400 -0.029 0.000 0.814 1280 E CB -1.180 28.523 29.700 0.004 0.000 0.752 1280 E HN 0.902 nan 8.360 nan 0.000 0.466 1281 E N 0.226 120.445 120.200 0.032 0.000 2.160 1281 E HA -0.142 4.210 4.350 0.003 0.000 0.195 1281 E C 0.875 177.508 176.600 0.055 0.000 0.991 1281 E CA 0.850 57.329 56.400 0.133 0.000 0.810 1281 E CB -0.078 29.845 29.700 0.371 0.000 0.742 1281 E HN 0.387 nan 8.360 nan 0.000 0.466 1282 N N 0.967 119.518 118.700 -0.248 0.000 2.971 1282 N HA 0.020 4.762 4.740 0.003 0.000 0.294 1282 N C -0.723 174.651 175.510 -0.227 0.000 1.210 1282 N CA 0.241 53.032 53.050 -0.432 0.000 1.157 1282 N CB -0.208 37.714 38.487 -0.942 0.000 1.450 1282 N HN 0.047 nan 8.380 nan 0.000 0.527 1283 K N 0.000 120.348 120.400 -0.087 0.000 2.780 1283 K HA 0.000 4.322 4.320 0.003 0.000 0.191 1283 K CA 0.000 56.249 56.287 -0.063 0.000 0.838 1283 K CB 0.000 32.486 32.500 -0.023 0.000 1.064 1283 K HN 0.000 nan 8.250 nan 0.000 0.543