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 3f5p_1_I DATA FIRST_RESID 980 DATA SEQUENCE SFSAADVYVP DEWEVAREKI TMSRELGQGS FGMVYEGVAK GVVKDEPETR DATA SEQUENCE VAIKTVNEAA SMRERIEFLN EASVMKEFNC HHVVRLLGVV SQGQPTLVIM DATA SEQUENCE ELMTRGDLKS YLRSLRPXXX XXXXXXPPSL SKMIQMAGEI ADGMAYLNAN DATA SEQUENCE KFVHRDLAAR NCMVAEDFTV KIGDFGMTRD IXETDXXRKG GKGLLPVRWM DATA SEQUENCE SPESLKDGVF TTYSDVWSFG VVLWEIATLA EQPYQGLSNE QVLRFVMEGG DATA SEQUENCE LLDKPDNCPD MLFELMRMCW QYNPKMRPSF LEIISSIKEE MEPGFREVSF DATA SEQUENCE YYSEEN 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 980 S HA 0.000 nan 4.470 nan 0.000 0.327 980 S C 0.000 174.668 174.600 0.113 0.000 1.055 980 S CA 0.000 58.253 58.200 0.089 0.000 1.107 980 S CB 0.000 63.241 63.200 0.068 0.000 0.593 981 F N 3.181 123.143 119.950 0.020 0.000 2.471 981 F HA 0.631 5.158 4.527 0.000 0.000 0.353 981 F C 0.787 176.606 175.800 0.031 0.000 1.113 981 F CA 1.614 59.630 58.000 0.027 0.000 1.262 981 F CB 0.968 39.984 39.000 0.026 0.000 1.146 981 F HN 1.149 nan 8.300 nan 0.000 0.578 982 S N 3.182 118.684 115.700 -0.330 0.000 2.636 982 S HA 0.619 5.089 4.470 0.000 0.000 0.268 982 S C 0.241 174.701 174.600 -0.234 0.000 1.159 982 S CA -0.475 57.646 58.200 -0.131 0.000 0.815 982 S CB 0.726 63.884 63.200 -0.069 0.000 1.130 982 S HN 0.982 nan 8.310 nan 0.000 0.471 983 A N 1.251 124.030 122.820 -0.068 0.000 1.903 983 A HA 0.106 4.426 4.320 0.000 0.000 0.219 983 A C 2.429 180.011 177.584 -0.003 0.000 1.191 983 A CA 2.830 54.858 52.037 -0.014 0.000 0.638 983 A CB -1.876 17.023 19.000 -0.169 0.000 0.823 983 A HN 1.852 nan 8.150 nan 0.000 0.451 984 A N -0.139 122.634 122.820 -0.079 0.000 1.997 984 A HA -0.285 4.035 4.320 0.000 0.000 0.221 984 A C 1.748 179.273 177.584 -0.099 0.000 1.172 984 A CA 1.974 53.971 52.037 -0.066 0.000 0.645 984 A CB -0.723 18.240 19.000 -0.061 0.000 0.813 984 A HN 0.624 nan 8.150 nan 0.000 0.454 985 D N -0.775 119.472 120.400 -0.254 0.000 2.178 985 D HA -0.111 4.529 4.640 0.000 0.000 0.201 985 D C 2.000 178.200 176.300 -0.166 0.000 0.980 985 D CA 1.954 55.756 54.000 -0.330 0.000 0.842 985 D CB 0.003 40.286 40.800 -0.863 0.000 0.948 985 D HN 0.533 nan 8.370 nan 0.000 0.472 986 V N -1.907 117.954 119.914 -0.088 0.000 3.212 986 V HA 0.024 4.144 4.120 0.000 0.000 0.244 986 V C 1.440 177.483 176.094 -0.085 0.000 1.151 986 V CA 0.270 62.548 62.300 -0.036 0.000 1.119 986 V CB -0.600 31.227 31.823 0.005 0.000 0.838 986 V HN -0.005 nan 8.190 nan 0.000 0.470 987 Y N 2.129 122.387 120.300 -0.070 0.000 2.502 987 Y HA 0.429 4.979 4.550 0.000 0.000 0.295 987 Y C 0.791 176.635 175.900 -0.095 0.000 1.193 987 Y CA 0.614 58.669 58.100 -0.076 0.000 1.295 987 Y CB 0.437 38.842 38.460 -0.092 0.000 1.059 987 Y HN 0.341 nan 8.280 nan 0.000 0.514 988 V N -2.427 117.510 119.914 0.038 0.000 2.709 988 V HA 0.607 4.727 4.120 0.000 0.000 0.308 988 V C -2.996 173.129 176.094 0.052 0.000 1.062 988 V CA -3.170 59.139 62.300 0.016 0.000 0.901 988 V CB 1.803 33.627 31.823 0.003 0.000 1.003 988 V HN -0.214 nan 8.190 nan 0.000 0.425 989 P HA 0.314 nan 4.420 nan 0.000 0.276 989 P C 0.028 177.401 177.300 0.122 0.000 1.243 989 P CA -0.037 63.136 63.100 0.123 0.000 0.768 989 P CB 0.505 32.326 31.700 0.200 0.000 0.856 990 D N 2.224 122.654 120.400 0.051 0.000 2.408 990 D HA -0.127 4.513 4.640 0.000 0.000 0.248 990 D C 0.751 177.045 176.300 -0.010 0.000 1.122 990 D CA 0.923 54.938 54.000 0.025 0.000 0.964 990 D CB 0.099 40.903 40.800 0.007 0.000 0.884 990 D HN 0.590 nan 8.370 nan 0.000 0.524 991 E N -1.328 118.857 120.200 -0.026 0.000 2.447 991 E HA -0.018 4.332 4.350 0.000 0.000 0.195 991 E C 0.870 177.242 176.600 -0.380 0.000 1.028 991 E CA 0.110 56.385 56.400 -0.209 0.000 0.876 991 E CB 0.309 29.843 29.700 -0.277 0.000 0.885 991 E HN 0.345 nan 8.360 nan 0.000 0.500 992 W N 1.166 122.440 121.300 -0.043 0.000 3.008 992 W HA 0.226 4.886 4.660 0.000 0.000 0.355 992 W C 0.490 176.984 176.519 -0.041 0.000 1.095 992 W CA -0.578 56.739 57.345 -0.046 0.000 1.738 992 W CB 0.619 30.041 29.460 -0.063 0.000 1.091 992 W HN -0.110 nan 8.180 nan 0.000 0.574 993 E N 1.406 121.677 120.200 0.118 0.000 2.390 993 E HA 0.286 4.636 4.350 0.000 0.000 0.261 993 E C -0.616 176.008 176.600 0.040 0.000 1.076 993 E CA -0.123 56.319 56.400 0.069 0.000 0.905 993 E CB 1.425 31.146 29.700 0.034 0.000 0.984 993 E HN -0.133 nan 8.360 nan 0.000 0.427 994 V N 2.256 122.191 119.914 0.036 0.000 2.888 994 V HA 0.683 4.803 4.120 0.000 0.000 0.309 994 V C -1.014 175.089 176.094 0.014 0.000 1.114 994 V CA -0.290 62.022 62.300 0.020 0.000 0.940 994 V CB 1.664 33.505 31.823 0.029 0.000 1.021 994 V HN 0.859 nan 8.190 nan 0.000 0.426 995 A N 5.609 128.432 122.820 0.006 0.000 2.477 995 A HA 0.402 4.722 4.320 0.000 0.000 0.246 995 A C 1.206 178.791 177.584 0.003 0.000 1.078 995 A CA 0.413 52.451 52.037 0.003 0.000 0.770 995 A CB 0.086 19.085 19.000 -0.001 0.000 1.011 995 A HN 1.280 nan 8.150 nan 0.000 0.494 996 R N 1.785 122.285 120.500 0.000 0.000 2.237 996 R HA -0.119 4.221 4.340 0.000 0.000 0.219 996 R C 0.863 177.158 176.300 -0.008 0.000 1.080 996 R CA 1.377 57.475 56.100 -0.004 0.000 0.995 996 R CB -0.170 30.125 30.300 -0.008 0.000 0.875 996 R HN 0.787 nan 8.270 nan 0.000 0.462 997 E N 2.096 122.293 120.200 -0.006 0.000 2.209 997 E HA -0.205 4.145 4.350 0.000 0.000 0.196 997 E C 1.121 177.718 176.600 -0.005 0.000 0.993 997 E CA 1.235 57.631 56.400 -0.007 0.000 0.819 997 E CB -0.195 29.502 29.700 -0.005 0.000 0.745 997 E HN 0.448 nan 8.360 nan 0.000 0.477 998 K N 0.011 120.409 120.400 -0.002 0.000 2.486 998 K HA 0.100 4.420 4.320 0.000 0.000 0.194 998 K C 0.325 176.926 176.600 0.002 0.000 1.033 998 K CA 0.223 56.510 56.287 0.000 0.000 1.004 998 K CB 0.342 32.843 32.500 0.003 0.000 0.798 998 K HN 0.058 nan 8.250 nan 0.000 0.495 999 I N 1.136 121.706 120.570 -0.001 0.000 2.441 999 I HA 0.143 4.313 4.170 0.000 0.000 0.295 999 I C 0.075 176.184 176.117 -0.014 0.000 0.994 999 I CA -0.509 60.790 61.300 -0.002 0.000 1.144 999 I CB 1.477 39.477 38.000 0.000 0.000 1.314 999 I HN -0.082 nan 8.210 nan 0.000 0.445 1000 T N 5.354 119.901 114.554 -0.012 0.000 2.879 1000 T HA 0.671 5.021 4.350 0.000 0.000 0.290 1000 T C -0.599 174.087 174.700 -0.022 0.000 0.993 1000 T CA -0.847 61.240 62.100 -0.023 0.000 0.975 1000 T CB 1.249 70.109 68.868 -0.013 0.000 0.981 1000 T HN 0.421 nan 8.240 nan 0.000 0.439 1001 M N 3.699 123.264 119.600 -0.058 0.000 2.300 1001 M HA 0.431 4.911 4.480 0.000 0.000 0.348 1001 M C 1.092 177.388 176.300 -0.006 0.000 1.151 1001 M CA -1.002 54.266 55.300 -0.053 0.000 1.046 1001 M CB 1.795 34.255 32.600 -0.233 0.000 1.647 1001 M HN 0.884 nan 8.290 nan 0.000 0.451 1002 S N 2.893 118.636 115.700 0.072 0.000 2.460 1002 S HA 0.337 4.807 4.470 0.000 0.000 0.185 1002 S C 0.440 175.134 174.600 0.157 0.000 0.908 1002 S CA -0.113 58.136 58.200 0.082 0.000 0.894 1002 S CB 0.192 63.429 63.200 0.060 0.000 0.855 1002 S HN 0.760 nan 8.310 nan 0.000 0.574 1003 R N 2.136 122.741 120.500 0.175 0.000 2.873 1003 R HA 0.594 4.934 4.340 0.000 0.000 0.264 1003 R C -0.755 175.620 176.300 0.126 0.000 1.026 1003 R CA -0.968 55.232 56.100 0.167 0.000 1.002 1003 R CB -0.089 30.251 30.300 0.066 0.000 1.174 1003 R HN 0.502 nan 8.270 nan 0.000 0.488 1004 E N 1.556 121.683 120.200 -0.121 0.000 2.404 1004 E HA 0.049 4.399 4.350 0.000 0.000 0.261 1004 E C -0.037 176.426 176.600 -0.229 0.000 1.074 1004 E CA -0.124 55.969 56.400 -0.511 0.000 0.917 1004 E CB 0.745 30.070 29.700 -0.624 0.000 0.965 1004 E HN 0.623 nan 8.360 nan 0.000 0.433 1005 L N 0.045 121.133 121.223 -0.224 0.000 2.609 1005 L HA 0.315 4.655 4.340 0.000 0.000 0.230 1005 L C 0.999 177.802 176.870 -0.110 0.000 1.064 1005 L CA 0.649 55.421 54.840 -0.113 0.000 0.873 1005 L CB 0.528 42.550 42.059 -0.061 0.000 1.139 1005 L HN 0.811 nan 8.230 nan 0.000 0.490 1006 G N -0.715 107.996 108.800 -0.149 0.000 2.321 1006 G HA2 0.171 4.131 3.960 0.000 0.000 0.298 1006 G HA3 0.171 4.131 3.960 0.000 0.000 0.298 1006 G C -1.940 172.894 174.900 -0.110 0.000 1.385 1006 G CA -0.704 44.329 45.100 -0.112 0.000 0.856 1006 G HN -0.213 nan 8.290 nan 0.000 0.584 1007 Q N -0.432 119.318 119.800 -0.083 0.000 2.304 1007 Q HA 0.585 4.925 4.340 0.000 0.000 0.260 1007 Q C 0.618 176.583 176.000 -0.058 0.000 0.965 1007 Q CA 1.024 56.784 55.803 -0.073 0.000 0.898 1007 Q CB 1.236 29.935 28.738 -0.065 0.000 1.196 1007 Q HN 1.000 nan 8.270 nan 0.000 0.402 1008 G N 0.403 109.172 108.800 -0.051 0.000 2.735 1008 G HA2 0.366 4.326 3.960 0.000 0.000 0.301 1008 G HA3 0.366 4.326 3.960 0.000 0.000 0.301 1008 G C 0.474 175.339 174.900 -0.058 0.000 1.279 1008 G CA -0.163 44.919 45.100 -0.030 0.000 1.019 1008 G HN 0.720 nan 8.290 nan 0.000 0.497 1009 S N -0.400 115.277 115.700 -0.039 0.000 2.377 1009 S HA -0.179 4.291 4.470 0.000 0.000 0.224 1009 S C 1.596 176.003 174.600 -0.321 0.000 1.042 1009 S CA 1.638 59.743 58.200 -0.159 0.000 1.086 1009 S CB -0.460 62.710 63.200 -0.051 0.000 0.995 1009 S HN 0.346 nan 8.310 nan 0.000 0.428 1010 F N 2.282 122.127 119.950 -0.175 0.000 2.695 1010 F HA 0.551 5.078 4.527 0.000 0.000 0.303 1010 F C 1.414 177.030 175.800 -0.306 0.000 1.091 1010 F CA 0.192 58.010 58.000 -0.304 0.000 1.300 1010 F CB 0.748 39.382 39.000 -0.610 0.000 1.071 1010 F HN 0.597 nan 8.300 nan 0.000 0.578 1011 G N -0.345 108.399 108.800 -0.093 0.000 2.323 1011 G HA2 0.327 4.287 3.960 0.000 0.000 0.291 1011 G HA3 0.327 4.287 3.960 0.000 0.000 0.291 1011 G C -1.756 173.119 174.900 -0.042 0.000 1.278 1011 G CA -1.021 44.034 45.100 -0.076 0.000 0.860 1011 G HN -0.116 nan 8.290 nan 0.000 0.504 1012 M N 0.641 120.240 119.600 -0.002 0.000 2.277 1012 M HA 0.713 5.193 4.480 0.000 0.000 0.350 1012 M C -0.557 175.759 176.300 0.026 0.000 1.180 1012 M CA -0.449 54.843 55.300 -0.014 0.000 1.103 1012 M CB 1.737 34.336 32.600 -0.001 0.000 1.577 1012 M HN 0.395 nan 8.290 nan 0.000 0.459 1013 V N 5.555 125.428 119.914 -0.067 0.000 2.435 1013 V HA 0.451 4.571 4.120 0.000 0.000 0.290 1013 V C -1.077 174.941 176.094 -0.127 0.000 1.030 1013 V CA -0.483 61.813 62.300 -0.008 0.000 0.881 1013 V CB 1.114 32.931 31.823 -0.009 0.000 0.983 1013 V HN 0.797 nan 8.190 nan 0.000 0.445 1014 Y N 1.653 121.959 120.300 0.009 0.000 2.562 1014 Y HA 0.488 5.038 4.550 0.000 0.000 0.343 1014 Y C 0.350 176.256 175.900 0.009 0.000 1.025 1014 Y CA -0.730 57.374 58.100 0.007 0.000 1.082 1014 Y CB 1.792 40.256 38.460 0.007 0.000 1.264 1014 Y HN 0.666 nan 8.280 nan 0.000 0.478 1015 E N 0.683 120.982 120.200 0.166 0.000 2.319 1015 E HA 0.654 5.004 4.350 0.000 0.000 0.268 1015 E C -0.412 176.256 176.600 0.113 0.000 1.050 1015 E CA -0.330 56.132 56.400 0.105 0.000 0.878 1015 E CB 1.109 30.846 29.700 0.061 0.000 1.066 1015 E HN 0.843 nan 8.360 nan 0.000 0.406 1016 G N 0.699 109.542 108.800 0.071 0.000 2.548 1016 G HA2 0.423 4.383 3.960 0.000 0.000 0.301 1016 G HA3 0.423 4.383 3.960 0.000 0.000 0.301 1016 G C -1.647 173.273 174.900 0.033 0.000 1.349 1016 G CA -0.562 44.568 45.100 0.050 0.000 0.792 1016 G HN 0.467 nan 8.290 nan 0.000 0.481 1017 V N 0.117 120.045 119.914 0.023 0.000 2.604 1017 V HA 0.769 4.889 4.120 0.000 0.000 0.305 1017 V C 0.104 176.207 176.094 0.015 0.000 1.043 1017 V CA -0.391 61.919 62.300 0.018 0.000 0.888 1017 V CB 1.506 33.337 31.823 0.014 0.000 0.995 1017 V HN 1.451 nan 8.190 nan 0.000 0.429 1018 A N 4.509 127.339 122.820 0.017 0.000 2.285 1018 A HA 0.590 4.910 4.320 0.000 0.000 0.310 1018 A C -0.134 177.458 177.584 0.013 0.000 1.266 1018 A CA -0.690 51.357 52.037 0.017 0.000 0.832 1018 A CB 0.476 19.490 19.000 0.024 0.000 1.163 1018 A HN 0.752 nan 8.150 nan 0.000 0.499 1019 K N 1.405 121.810 120.400 0.008 0.000 2.412 1019 K HA 0.310 4.630 4.320 0.000 0.000 0.281 1019 K C 0.964 177.566 176.600 0.004 0.000 1.027 1019 K CA 0.925 57.215 56.287 0.005 0.000 0.989 1019 K CB 0.551 33.052 32.500 0.002 0.000 0.935 1019 K HN 1.405 nan 8.250 nan 0.000 0.475 1020 G N 1.971 110.772 108.800 0.002 0.000 2.372 1020 G HA2 -0.211 3.749 3.960 0.000 0.000 0.290 1020 G HA3 -0.211 3.749 3.960 0.000 0.000 0.290 1020 G C 0.425 175.323 174.900 -0.003 0.000 0.965 1020 G CA 0.624 45.722 45.100 -0.002 0.000 1.263 1020 G HN 0.561 nan 8.290 nan 0.000 0.498 1021 V N -2.616 117.300 119.914 0.004 0.000 3.539 1021 V HA 0.528 4.648 4.120 0.000 0.000 0.262 1021 V C 0.917 177.015 176.094 0.007 0.000 1.381 1021 V CA 0.838 63.142 62.300 0.007 0.000 1.060 1021 V CB 0.458 32.296 31.823 0.025 0.000 0.842 1021 V HN 0.557 nan 8.190 nan 0.000 0.445 1022 V N 1.705 121.624 119.914 0.009 0.000 2.732 1022 V HA 0.595 4.715 4.120 0.000 0.000 0.310 1022 V C -0.224 175.870 176.094 -0.000 0.000 1.053 1022 V CA -0.885 61.420 62.300 0.009 0.000 0.957 1022 V CB 1.592 33.425 31.823 0.017 0.000 1.018 1022 V HN 0.284 nan 8.190 nan 0.000 0.452 1023 K N 2.170 122.569 120.400 -0.003 0.000 2.322 1023 K HA 0.326 4.646 4.320 0.000 0.000 0.283 1023 K C 0.141 176.739 176.600 -0.003 0.000 1.042 1023 K CA -0.045 56.237 56.287 -0.008 0.000 0.958 1023 K CB -0.181 32.312 32.500 -0.011 0.000 0.984 1023 K HN 0.711 nan 8.250 nan 0.000 0.473 1024 D N 1.065 121.463 120.400 -0.004 0.000 3.041 1024 D HA -0.188 4.452 4.640 0.000 0.000 0.220 1024 D C -0.890 175.411 176.300 0.002 0.000 1.157 1024 D CA 1.019 55.018 54.000 -0.002 0.000 0.876 1024 D CB -0.907 39.892 40.800 -0.001 0.000 1.107 1024 D HN 0.682 nan 8.370 nan 0.000 0.422 1025 E N -0.726 119.475 120.200 0.002 0.000 2.283 1025 E HA 0.225 4.575 4.350 0.000 0.000 0.258 1025 E C -1.914 174.688 176.600 0.003 0.000 0.893 1025 E CA -1.686 54.717 56.400 0.005 0.000 0.798 1025 E CB 2.007 31.713 29.700 0.009 0.000 1.242 1025 E HN -0.172 nan 8.360 nan 0.000 0.414 1026 P HA -0.181 nan 4.420 nan 0.000 0.216 1026 P C -0.387 176.915 177.300 0.004 0.000 1.153 1026 P CA 1.359 64.460 63.100 0.002 0.000 0.858 1026 P CB 0.390 32.091 31.700 0.002 0.000 0.789 1027 E N -1.954 118.249 120.200 0.006 0.000 2.336 1027 E HA 0.526 4.876 4.350 0.000 0.000 0.267 1027 E C -0.830 175.776 176.600 0.011 0.000 0.906 1027 E CA -0.589 55.816 56.400 0.008 0.000 0.781 1027 E CB 2.214 31.919 29.700 0.008 0.000 1.261 1027 E HN -0.214 nan 8.360 nan 0.000 0.436 1028 T N 1.071 115.633 114.554 0.013 0.000 2.993 1028 T HA 0.318 4.668 4.350 0.000 0.000 0.312 1028 T C -0.603 174.107 174.700 0.018 0.000 1.115 1028 T CA -0.875 61.234 62.100 0.016 0.000 1.027 1028 T CB 1.306 70.186 68.868 0.019 0.000 1.116 1028 T HN 0.257 nan 8.240 nan 0.000 0.464 1029 R N 1.588 122.097 120.500 0.016 0.000 2.389 1029 R HA 0.582 4.922 4.340 0.000 0.000 0.295 1029 R C -0.015 176.298 176.300 0.021 0.000 1.075 1029 R CA -0.481 55.630 56.100 0.017 0.000 1.005 1029 R CB 0.554 30.861 30.300 0.011 0.000 0.987 1029 R HN 0.536 nan 8.270 nan 0.000 0.452 1030 V N -1.132 118.799 119.914 0.028 0.000 3.114 1030 V HA 0.830 4.950 4.120 0.000 0.000 0.308 1030 V C -0.562 175.559 176.094 0.044 0.000 1.168 1030 V CA -1.293 61.028 62.300 0.035 0.000 1.015 1030 V CB 1.993 33.840 31.823 0.040 0.000 1.050 1030 V HN 0.812 nan 8.190 nan 0.000 0.433 1031 A N 3.756 126.605 122.820 0.048 0.000 2.310 1031 A HA 0.887 5.207 4.320 0.000 0.000 0.299 1031 A C -0.390 177.243 177.584 0.082 0.000 1.147 1031 A CA -0.655 51.419 52.037 0.063 0.000 0.818 1031 A CB 0.469 19.500 19.000 0.050 0.000 1.096 1031 A HN 0.925 nan 8.150 nan 0.000 0.495 1032 I N 1.509 122.147 120.570 0.114 0.000 2.447 1032 I HA 0.364 4.534 4.170 0.000 0.000 0.287 1032 I C -0.256 175.957 176.117 0.160 0.000 1.023 1032 I CA -0.660 60.714 61.300 0.122 0.000 1.083 1032 I CB 1.512 39.574 38.000 0.104 0.000 1.245 1032 I HN 0.716 nan 8.210 nan 0.000 0.434 1033 K N 4.677 125.165 120.400 0.147 0.000 2.211 1033 K HA 0.481 4.801 4.320 0.000 0.000 0.275 1033 K C -0.331 176.342 176.600 0.122 0.000 1.024 1033 K CA -0.204 56.171 56.287 0.148 0.000 0.887 1033 K CB 0.981 33.593 32.500 0.187 0.000 1.084 1033 K HN 0.748 nan 8.250 nan 0.000 0.463 1034 T N 0.875 115.489 114.554 0.099 0.000 2.756 1034 T HA 0.413 4.763 4.350 0.000 0.000 0.290 1034 T C -0.447 174.233 174.700 -0.032 0.000 0.985 1034 T CA -0.933 61.196 62.100 0.048 0.000 0.955 1034 T CB 1.054 69.962 68.868 0.068 0.000 0.930 1034 T HN 0.172 nan 8.240 nan 0.000 0.451 1035 V N 5.639 125.508 119.914 -0.076 0.000 2.318 1035 V HA 0.320 4.440 4.120 0.000 0.000 0.271 1035 V C 0.833 176.897 176.094 -0.050 0.000 1.030 1035 V CA -0.972 61.245 62.300 -0.138 0.000 0.844 1035 V CB 0.086 31.743 31.823 -0.278 0.000 1.015 1035 V HN 1.033 nan 8.190 nan 0.000 0.460 1036 N N 3.281 121.960 118.700 -0.035 0.000 2.431 1036 N HA 0.225 4.965 4.740 0.000 0.000 0.289 1036 N C 0.918 176.421 175.510 -0.011 0.000 1.277 1036 N CA -0.717 52.325 53.050 -0.014 0.000 0.972 1036 N CB 1.158 39.642 38.487 -0.005 0.000 1.143 1036 N HN 0.486 nan 8.380 nan 0.000 0.578 1037 E N -0.291 119.906 120.200 -0.004 0.000 2.077 1037 E HA -0.161 4.189 4.350 0.000 0.000 0.193 1037 E C 0.745 177.346 176.600 0.001 0.000 0.989 1037 E CA 0.893 57.293 56.400 0.000 0.000 0.800 1037 E CB -0.326 29.376 29.700 0.003 0.000 0.746 1037 E HN 0.674 nan 8.360 nan 0.000 0.452 1038 A N 0.828 123.647 122.820 -0.001 0.000 2.958 1038 A HA 0.408 4.728 4.320 0.000 0.000 0.247 1038 A C 0.011 177.594 177.584 -0.002 0.000 1.679 1038 A CA 0.556 52.593 52.037 -0.001 0.000 1.345 1038 A CB -0.525 18.473 19.000 -0.002 0.000 1.013 1038 A HN 0.176 nan 8.150 nan 0.000 0.641 1039 A N 0.734 123.554 122.820 -0.000 0.000 2.343 1039 A HA 0.660 4.980 4.320 0.000 0.000 0.316 1039 A C 0.505 178.096 177.584 0.012 0.000 1.104 1039 A CA -0.266 51.775 52.037 0.006 0.000 0.768 1039 A CB 0.611 19.611 19.000 0.000 0.000 1.213 1039 A HN 0.884 nan 8.150 nan 0.000 0.456 1040 S N 2.341 118.052 115.700 0.019 0.000 2.569 1040 S HA 0.095 4.565 4.470 0.000 0.000 0.274 1040 S C 1.258 175.864 174.600 0.010 0.000 1.353 1040 S CA 0.322 58.533 58.200 0.017 0.000 1.023 1040 S CB 0.154 63.367 63.200 0.022 0.000 0.876 1040 S HN 0.903 nan 8.310 nan 0.000 0.540 1041 M N 0.949 120.551 119.600 0.004 0.000 2.159 1041 M HA -0.141 4.339 4.480 0.000 0.000 0.263 1041 M C 2.397 178.675 176.300 -0.037 0.000 1.063 1041 M CA 1.437 56.726 55.300 -0.018 0.000 1.110 1041 M CB -0.163 32.436 32.600 -0.002 0.000 1.374 1041 M HN 0.737 nan 8.290 nan 0.000 0.411 1042 R N 0.266 120.762 120.500 -0.007 0.000 2.091 1042 R HA -0.149 4.191 4.340 0.000 0.000 0.238 1042 R C 1.934 178.247 176.300 0.022 0.000 1.136 1042 R CA 1.856 57.956 56.100 0.000 0.000 0.959 1042 R CB -0.344 29.970 30.300 0.022 0.000 0.856 1042 R HN 0.552 nan 8.270 nan 0.000 0.437 1043 E N -0.198 120.040 120.200 0.064 0.000 2.072 1043 E HA -0.197 4.153 4.350 0.000 0.000 0.191 1043 E C 2.047 178.709 176.600 0.103 0.000 0.985 1043 E CA 0.720 57.224 56.400 0.174 0.000 0.801 1043 E CB -0.158 29.650 29.700 0.180 0.000 0.750 1043 E HN 0.278 nan 8.360 nan 0.000 0.452 1044 R N 0.837 121.344 120.500 0.012 0.000 2.148 1044 R HA -0.036 4.304 4.340 0.000 0.000 0.223 1044 R C 2.277 178.497 176.300 -0.135 0.000 1.088 1044 R CA 0.601 56.689 56.100 -0.021 0.000 0.985 1044 R CB -0.004 30.282 30.300 -0.024 0.000 0.880 1044 R HN 0.117 nan 8.270 nan 0.000 0.451 1045 I N 0.216 120.648 120.570 -0.229 0.000 2.333 1045 I HA -0.165 4.005 4.170 0.000 0.000 0.246 1045 I C 2.290 178.238 176.117 -0.282 0.000 1.106 1045 I CA 1.020 62.061 61.300 -0.431 0.000 1.411 1045 I CB -0.412 37.264 38.000 -0.540 0.000 1.082 1045 I HN 0.290 nan 8.210 nan 0.000 0.420 1046 E N 0.775 120.883 120.200 -0.153 0.000 2.204 1046 E HA -0.242 4.108 4.350 0.000 0.000 0.195 1046 E C 2.048 178.497 176.600 -0.251 0.000 0.990 1046 E CA 1.171 57.518 56.400 -0.088 0.000 0.821 1046 E CB 0.013 29.773 29.700 0.099 0.000 0.750 1046 E HN 0.433 nan 8.360 nan 0.000 0.477 1047 F N 0.475 119.987 119.950 -0.731 0.000 2.234 1047 F HA -0.104 4.423 4.527 0.000 0.000 0.296 1047 F C 1.727 177.200 175.800 -0.546 0.000 1.089 1047 F CA 0.579 57.889 58.000 -1.149 0.000 1.343 1047 F CB -0.048 38.023 39.000 -1.549 0.000 1.040 1047 F HN -0.018 nan 8.300 nan 0.000 0.498 1048 L N 0.715 121.560 121.223 -0.631 0.000 2.179 1048 L HA -0.048 4.292 4.340 0.000 0.000 0.208 1048 L C 1.913 178.548 176.870 -0.391 0.000 1.096 1048 L CA 1.394 55.888 54.840 -0.576 0.000 0.779 1048 L CB -1.653 40.206 42.059 -0.335 0.000 0.922 1048 L HN 0.235 nan 8.230 nan 0.000 0.443 1049 N N -0.762 117.771 118.700 -0.279 0.000 2.250 1049 N HA -0.189 4.551 4.740 0.000 0.000 0.181 1049 N C 1.607 176.992 175.510 -0.208 0.000 1.017 1049 N CA 0.695 53.643 53.050 -0.169 0.000 0.866 1049 N CB 0.107 38.547 38.487 -0.077 0.000 0.985 1049 N HN 0.384 nan 8.380 nan 0.000 0.429 1050 E N 0.888 120.949 120.200 -0.233 0.000 2.268 1050 E HA -0.099 4.251 4.350 0.000 0.000 0.195 1050 E C 1.562 178.010 176.600 -0.254 0.000 0.995 1050 E CA 0.754 57.047 56.400 -0.180 0.000 0.836 1050 E CB 0.081 29.723 29.700 -0.097 0.000 0.763 1050 E HN 0.356 nan 8.360 nan 0.000 0.491 1051 A N -0.253 122.329 122.820 -0.396 0.000 2.132 1051 A HA 0.087 4.407 4.320 0.000 0.000 0.213 1051 A C 2.118 179.419 177.584 -0.471 0.000 1.154 1051 A CA 0.512 52.288 52.037 -0.434 0.000 0.753 1051 A CB 0.058 18.726 19.000 -0.554 0.000 0.826 1051 A HN 0.175 nan 8.150 nan 0.000 0.469 1052 S N -0.281 115.177 115.700 -0.403 0.000 2.522 1052 S HA -0.053 4.417 4.470 0.000 0.000 0.227 1052 S C 1.834 176.189 174.600 -0.410 0.000 0.986 1052 S CA 1.211 59.179 58.200 -0.387 0.000 0.929 1052 S CB -0.272 62.781 63.200 -0.244 0.000 0.769 1052 S HN 0.614 nan 8.310 nan 0.000 0.529 1053 V N -0.984 118.672 119.914 -0.430 0.000 2.535 1053 V HA -0.012 4.108 4.120 0.000 0.000 0.246 1053 V C 2.187 177.638 176.094 -1.071 0.000 1.045 1053 V CA 0.749 62.688 62.300 -0.602 0.000 1.058 1053 V CB -0.762 30.791 31.823 -0.451 0.000 0.689 1053 V HN 0.327 nan 8.190 nan 0.000 0.461 1054 M N 1.855 120.964 119.600 -0.819 0.000 2.082 1054 M HA -0.233 4.247 4.480 0.000 0.000 0.258 1054 M C 2.456 178.269 176.300 -0.812 0.000 1.071 1054 M CA 2.956 57.781 55.300 -0.792 0.000 1.103 1054 M CB -0.980 31.364 32.600 -0.426 0.000 1.307 1054 M HN 0.667 nan 8.290 nan 0.000 0.409 1055 K N 0.306 120.235 120.400 -0.785 0.000 2.097 1055 K HA -0.283 4.037 4.320 0.000 0.000 0.214 1055 K C 1.725 178.144 176.600 -0.302 0.000 1.052 1055 K CA 2.360 58.175 56.287 -0.786 0.000 0.932 1055 K CB -0.865 30.969 32.500 -1.110 0.000 0.716 1055 K HN 0.391 nan 8.250 nan 0.000 0.455 1056 E N 0.575 120.514 120.200 -0.435 0.000 2.114 1056 E HA -0.157 4.193 4.350 0.000 0.000 0.199 1056 E C -0.253 176.337 176.600 -0.017 0.000 1.008 1056 E CA 0.930 57.181 56.400 -0.249 0.000 0.810 1056 E CB -0.049 29.421 29.700 -0.384 0.000 0.739 1056 E HN 0.307 nan 8.360 nan 0.000 0.456 1057 F N 0.911 120.811 119.950 -0.084 0.000 2.438 1057 F HA 0.244 4.771 4.527 0.000 0.000 0.356 1057 F C 0.420 176.280 175.800 0.099 0.000 1.099 1057 F CA -0.838 57.215 58.000 0.089 0.000 1.185 1057 F CB 0.303 39.273 39.000 -0.050 0.000 1.115 1057 F HN -0.036 nan 8.300 nan 0.000 0.526 1058 N N 3.064 121.957 118.700 0.321 0.000 2.790 1058 N HA 0.337 5.077 4.740 0.000 0.000 0.256 1058 N C -1.736 173.657 175.510 -0.194 0.000 1.409 1058 N CA -0.137 52.969 53.050 0.094 0.000 0.799 1058 N CB 0.573 39.145 38.487 0.142 0.000 1.170 1058 N HN 0.663 nan 8.380 nan 0.000 0.507 1059 C N 1.781 120.868 119.300 -0.356 0.000 2.634 1059 C HA 0.371 4.831 4.460 0.000 0.000 0.313 1059 C C 1.596 176.441 174.990 -0.242 0.000 1.198 1059 C CA -0.399 58.283 59.018 -0.560 0.000 1.605 1059 C CB 0.995 28.066 27.740 -1.116 0.000 2.196 1059 C HN 0.880 nan 8.230 nan 0.000 0.486 1060 H N 0.843 119.717 119.070 -0.326 0.000 2.491 1060 H HA 0.012 4.568 4.556 0.000 0.000 0.290 1060 H C 1.083 176.195 175.328 -0.360 0.000 1.050 1060 H CA 2.198 58.032 56.048 -0.357 0.000 1.309 1060 H CB -0.020 29.449 29.762 -0.488 0.000 1.392 1060 H HN 0.868 nan 8.280 nan 0.000 0.554 1061 H N -1.445 117.600 119.070 -0.041 0.000 2.542 1061 H HA 0.315 4.871 4.556 0.000 0.000 0.283 1061 H C -0.569 174.745 175.328 -0.023 0.000 1.059 1061 H CA -0.176 55.855 56.048 -0.028 0.000 1.162 1061 H CB 0.915 30.724 29.762 0.079 0.000 1.539 1061 H HN 0.018 nan 8.280 nan 0.000 0.543 1062 V N 1.914 121.850 119.914 0.036 0.000 2.417 1062 V HA 0.113 4.233 4.120 0.000 0.000 0.291 1062 V C 0.205 176.359 176.094 0.099 0.000 1.024 1062 V CA -1.104 61.274 62.300 0.130 0.000 0.861 1062 V CB 1.997 33.926 31.823 0.177 0.000 0.985 1062 V HN 0.022 nan 8.190 nan 0.000 0.436 1063 V N 5.243 125.230 119.914 0.121 0.000 2.509 1063 V HA 0.049 4.169 4.120 0.000 0.000 0.297 1063 V C 0.660 176.826 176.094 0.120 0.000 1.014 1063 V CA 0.186 62.533 62.300 0.079 0.000 1.127 1063 V CB -0.083 31.774 31.823 0.057 0.000 0.925 1063 V HN 0.949 nan 8.190 nan 0.000 0.480 1064 R N 4.803 125.343 120.500 0.066 0.000 2.404 1064 R HA 0.604 4.944 4.340 0.000 0.000 0.291 1064 R C -0.643 175.692 176.300 0.058 0.000 1.025 1064 R CA -0.635 55.509 56.100 0.072 0.000 0.991 1064 R CB 1.090 31.426 30.300 0.061 0.000 1.053 1064 R HN 0.707 nan 8.270 nan 0.000 0.479 1065 L N 5.040 126.279 121.223 0.027 0.000 2.326 1065 L HA 0.264 4.604 4.340 0.000 0.000 0.278 1065 L C -0.160 176.783 176.870 0.122 0.000 1.092 1065 L CA -0.183 54.651 54.840 -0.010 0.000 0.810 1065 L CB 0.901 42.837 42.059 -0.206 0.000 1.153 1065 L HN 0.881 nan 8.230 nan 0.000 0.439 1066 L N 4.444 125.748 121.223 0.136 0.000 2.425 1066 L HA 0.510 4.850 4.340 0.000 0.000 0.215 1066 L C 0.865 177.890 176.870 0.258 0.000 1.065 1066 L CA 0.455 55.408 54.840 0.189 0.000 0.842 1066 L CB 0.216 42.338 42.059 0.105 0.000 1.033 1066 L HN 0.831 nan 8.230 nan 0.000 0.474 1067 G N -0.568 108.369 108.800 0.228 0.000 2.349 1067 G HA2 0.415 4.375 3.960 0.000 0.000 0.294 1067 G HA3 0.415 4.375 3.960 0.000 0.000 0.294 1067 G C -2.055 172.925 174.900 0.132 0.000 1.380 1067 G CA 0.064 45.314 45.100 0.251 0.000 0.811 1067 G HN -0.146 nan 8.290 nan 0.000 0.519 1068 V N -1.376 118.609 119.914 0.119 0.000 2.668 1068 V HA 0.755 4.875 4.120 0.000 0.000 0.304 1068 V C -0.820 175.303 176.094 0.049 0.000 1.071 1068 V CA -0.853 61.476 62.300 0.049 0.000 0.894 1068 V CB 1.507 33.318 31.823 -0.019 0.000 1.008 1068 V HN 0.995 nan 8.190 nan 0.000 0.425 1069 V N 6.191 126.128 119.914 0.039 0.000 2.427 1069 V HA 0.370 4.490 4.120 0.000 0.000 0.268 1069 V C 1.359 177.462 176.094 0.016 0.000 1.046 1069 V CA 0.851 63.167 62.300 0.026 0.000 0.970 1069 V CB 0.684 32.519 31.823 0.020 0.000 1.001 1069 V HN 1.191 nan 8.190 nan 0.000 0.476 1070 S N 3.156 118.858 115.700 0.004 0.000 2.539 1070 S HA 0.122 4.592 4.470 0.000 0.000 0.226 1070 S C 0.671 175.251 174.600 -0.033 0.000 1.054 1070 S CA -0.388 57.802 58.200 -0.017 0.000 0.910 1070 S CB 0.244 63.428 63.200 -0.027 0.000 0.818 1070 S HN 0.614 nan 8.310 nan 0.000 0.490 1071 Q N 2.354 122.141 119.800 -0.022 0.000 2.472 1071 Q HA 0.708 5.048 4.340 0.000 0.000 0.227 1071 Q C 0.329 176.323 176.000 -0.011 0.000 1.156 1071 Q CA 0.255 56.044 55.803 -0.022 0.000 0.924 1071 Q CB 0.124 28.857 28.738 -0.009 0.000 1.354 1071 Q HN 0.647 nan 8.270 nan 0.000 0.525 1072 G N 0.754 109.545 108.800 -0.014 0.000 2.324 1072 G HA2 0.029 3.989 3.960 0.000 0.000 0.293 1072 G HA3 0.029 3.989 3.960 0.000 0.000 0.293 1072 G C -0.173 174.723 174.900 -0.006 0.000 1.297 1072 G CA -0.585 44.511 45.100 -0.007 0.000 0.853 1072 G HN 0.258 nan 8.290 nan 0.000 0.535 1073 Q N 0.008 119.806 119.800 -0.004 0.000 1.941 1073 Q HA 0.185 4.525 4.340 0.000 0.000 0.201 1073 Q C -1.201 174.797 176.000 -0.004 0.000 0.982 1073 Q CA 2.013 57.815 55.803 -0.003 0.000 0.839 1073 Q CB -0.570 28.166 28.738 -0.004 0.000 0.904 1073 Q HN 0.541 nan 8.270 nan 0.000 0.427 1074 P HA 0.144 nan 4.420 nan 0.000 0.293 1074 P C -1.204 176.100 177.300 0.007 0.000 1.300 1074 P CA 0.010 63.107 63.100 -0.005 0.000 0.792 1074 P CB 1.476 33.167 31.700 -0.015 0.000 0.925 1075 T N 4.360 118.927 114.554 0.022 0.000 2.870 1075 T HA 0.273 4.623 4.350 0.000 0.000 0.300 1075 T C 0.467 175.216 174.700 0.081 0.000 0.989 1075 T CA -0.007 62.126 62.100 0.055 0.000 1.139 1075 T CB 0.029 68.956 68.868 0.098 0.000 0.920 1075 T HN 0.224 nan 8.240 nan 0.000 0.537 1076 L N 3.267 124.534 121.223 0.073 0.000 2.325 1076 L HA 0.680 5.020 4.340 0.000 0.000 0.278 1076 L C -0.453 176.481 176.870 0.106 0.000 1.023 1076 L CA -1.188 53.702 54.840 0.084 0.000 0.811 1076 L CB 1.690 43.775 42.059 0.043 0.000 1.249 1076 L HN 0.308 nan 8.230 nan 0.000 0.431 1077 V N 4.030 124.029 119.914 0.142 0.000 2.444 1077 V HA 0.381 4.501 4.120 0.000 0.000 0.294 1077 V C -0.130 176.013 176.094 0.083 0.000 1.022 1077 V CA -0.520 61.838 62.300 0.098 0.000 0.850 1077 V CB 2.110 34.010 31.823 0.129 0.000 0.992 1077 V HN 0.404 nan 8.190 nan 0.000 0.426 1078 I N 5.876 126.481 120.570 0.058 0.000 2.291 1078 I HA 0.439 4.609 4.170 0.000 0.000 0.290 1078 I C 0.076 176.226 176.117 0.055 0.000 1.050 1078 I CA -0.303 61.034 61.300 0.061 0.000 1.245 1078 I CB 0.806 38.845 38.000 0.064 0.000 1.405 1078 I HN 0.430 nan 8.210 nan 0.000 0.478 1079 M N 4.039 123.672 119.600 0.055 0.000 2.598 1079 M HA 0.334 4.814 4.480 0.000 0.000 0.317 1079 M C 0.457 176.783 176.300 0.043 0.000 1.201 1079 M CA -0.669 54.660 55.300 0.047 0.000 0.971 1079 M CB 1.718 34.347 32.600 0.048 0.000 1.657 1079 M HN 0.568 nan 8.290 nan 0.000 0.470 1080 E N 1.761 121.983 120.200 0.037 0.000 2.392 1080 E HA 0.178 4.528 4.350 0.000 0.000 0.264 1080 E C -1.314 175.294 176.600 0.014 0.000 1.024 1080 E CA -0.277 56.138 56.400 0.025 0.000 0.903 1080 E CB 0.884 30.594 29.700 0.015 0.000 0.963 1080 E HN 0.615 nan 8.360 nan 0.000 0.432 1081 L N 4.977 126.205 121.223 0.008 0.000 2.290 1081 L HA 0.202 4.542 4.340 0.000 0.000 0.284 1081 L C -0.511 176.347 176.870 -0.020 0.000 1.078 1081 L CA -0.494 54.346 54.840 0.001 0.000 0.815 1081 L CB 0.821 42.882 42.059 0.004 0.000 1.162 1081 L HN 0.741 nan 8.230 nan 0.000 0.435 1082 M N 4.740 124.324 119.600 -0.027 0.000 2.268 1082 M HA 0.138 4.618 4.480 0.000 0.000 0.340 1082 M C 1.158 177.421 176.300 -0.061 0.000 1.099 1082 M CA -0.353 54.916 55.300 -0.051 0.000 1.053 1082 M CB 0.641 33.213 32.600 -0.048 0.000 1.284 1082 M HN 0.606 nan 8.290 nan 0.000 0.410 1083 T N -1.025 113.484 114.554 -0.076 0.000 3.025 1083 T HA -0.035 4.315 4.350 0.000 0.000 0.270 1083 T C 1.259 175.911 174.700 -0.080 0.000 1.126 1083 T CA 0.944 63.002 62.100 -0.070 0.000 1.105 1083 T CB -0.004 68.820 68.868 -0.074 0.000 0.884 1083 T HN 0.607 nan 8.240 nan 0.000 0.522 1084 R N 1.018 121.449 120.500 -0.115 0.000 2.393 1084 R HA 0.452 4.792 4.340 0.000 0.000 0.244 1084 R C 1.441 177.725 176.300 -0.026 0.000 0.920 1084 R CA 0.158 56.204 56.100 -0.090 0.000 1.076 1084 R CB 0.141 30.314 30.300 -0.211 0.000 1.119 1084 R HN 0.534 nan 8.270 nan 0.000 0.524 1085 G N 2.650 111.430 108.800 -0.034 0.000 2.750 1085 G HA2 -0.279 3.681 3.960 0.000 0.000 0.228 1085 G HA3 -0.279 3.681 3.960 0.000 0.000 0.228 1085 G C -0.647 174.252 174.900 -0.002 0.000 1.367 1085 G CA -0.229 44.867 45.100 -0.006 0.000 0.871 1085 G HN 0.475 nan 8.290 nan 0.000 0.560 1086 D N -0.056 120.352 120.400 0.015 0.000 2.399 1086 D HA 0.187 4.827 4.640 0.000 0.000 0.241 1086 D C 1.698 178.038 176.300 0.066 0.000 1.133 1086 D CA -0.033 53.977 54.000 0.018 0.000 0.890 1086 D CB 1.362 42.167 40.800 0.008 0.000 1.201 1086 D HN 0.670 nan 8.370 nan 0.000 0.432 1087 L N 2.242 123.498 121.223 0.056 0.000 2.079 1087 L HA -0.183 4.157 4.340 0.000 0.000 0.210 1087 L C 2.421 179.390 176.870 0.165 0.000 1.081 1087 L CA 1.803 56.711 54.840 0.114 0.000 0.752 1087 L CB -0.788 41.313 42.059 0.070 0.000 0.896 1087 L HN 0.596 nan 8.230 nan 0.000 0.433 1088 K N -0.909 119.555 120.400 0.107 0.000 1.991 1088 K HA -0.180 4.140 4.320 0.000 0.000 0.212 1088 K C 2.048 178.709 176.600 0.101 0.000 1.049 1088 K CA 1.972 58.322 56.287 0.105 0.000 0.932 1088 K CB -0.211 32.335 32.500 0.077 0.000 0.717 1088 K HN 0.424 nan 8.250 nan 0.000 0.441 1089 S N 0.234 115.988 115.700 0.090 0.000 2.359 1089 S HA -0.207 4.263 4.470 0.000 0.000 0.224 1089 S C 1.691 176.347 174.600 0.093 0.000 1.035 1089 S CA 1.550 59.795 58.200 0.075 0.000 1.018 1089 S CB -0.657 62.582 63.200 0.064 0.000 0.876 1089 S HN 0.444 nan 8.310 nan 0.000 0.448 1090 Y N 2.466 122.782 120.300 0.025 0.000 2.114 1090 Y HA -0.205 4.345 4.550 0.000 0.000 0.282 1090 Y C 1.932 177.856 175.900 0.041 0.000 1.165 1090 Y CA 1.420 59.544 58.100 0.039 0.000 1.148 1090 Y CB -0.604 37.887 38.460 0.051 0.000 0.972 1090 Y HN 0.143 nan 8.280 nan 0.000 0.504 1091 L N -0.259 120.989 121.223 0.041 0.000 2.042 1091 L HA -0.266 4.074 4.340 0.000 0.000 0.210 1091 L C 2.754 179.554 176.870 -0.116 0.000 1.076 1091 L CA 1.406 56.212 54.840 -0.057 0.000 0.749 1091 L CB -0.584 41.511 42.059 0.060 0.000 0.893 1091 L HN 0.181 nan 8.230 nan 0.000 0.432 1092 R N 0.169 120.636 120.500 -0.055 0.000 2.083 1092 R HA -0.160 4.180 4.340 0.000 0.000 0.237 1092 R C 2.517 178.765 176.300 -0.087 0.000 1.137 1092 R CA 1.841 57.910 56.100 -0.051 0.000 0.951 1092 R CB -1.030 29.264 30.300 -0.011 0.000 0.851 1092 R HN 0.530 nan 8.270 nan 0.000 0.434 1093 S N 0.943 116.574 115.700 -0.115 0.000 2.440 1093 S HA -0.069 4.401 4.470 0.000 0.000 0.238 1093 S C 1.972 176.477 174.600 -0.159 0.000 1.010 1093 S CA 0.835 58.964 58.200 -0.119 0.000 0.972 1093 S CB -0.414 62.719 63.200 -0.111 0.000 0.774 1093 S HN 0.276 nan 8.310 nan 0.000 0.501 1094 L N 0.429 121.515 121.223 -0.229 0.000 2.610 1094 L HA 0.165 4.505 4.340 0.000 0.000 0.232 1094 L C 1.223 178.018 176.870 -0.124 0.000 1.149 1094 L CA 0.125 54.842 54.840 -0.204 0.000 0.872 1094 L CB -0.299 41.603 42.059 -0.261 0.000 0.992 1094 L HN 0.214 nan 8.230 nan 0.000 0.447 1095 R N 0.213 120.653 120.500 -0.100 0.000 2.560 1095 R HA 0.300 4.640 4.340 0.000 0.000 0.270 1095 R C -1.587 174.677 176.300 -0.059 0.000 1.074 1095 R CA -1.717 54.339 56.100 -0.073 0.000 1.140 1095 R CB -0.349 29.915 30.300 -0.059 0.000 1.073 1095 R HN -0.115 nan 8.270 nan 0.000 0.527 1107 P HA 0.127 nan 4.420 nan 0.000 0.261 1107 P C 0.406 177.679 177.300 -0.045 0.000 1.165 1107 P CA 0.697 63.772 63.100 -0.041 0.000 0.759 1107 P CB 0.846 32.533 31.700 -0.022 0.000 0.772 1108 S N 2.292 117.966 115.700 -0.043 0.000 2.645 1108 S HA 0.136 4.606 4.470 0.000 0.000 0.266 1108 S C 1.375 175.952 174.600 -0.038 0.000 1.258 1108 S CA -0.989 57.186 58.200 -0.041 0.000 0.990 1108 S CB 0.837 64.013 63.200 -0.040 0.000 0.967 1108 S HN 0.524 nan 8.310 nan 0.000 0.556 1109 L N 0.762 121.964 121.223 -0.035 0.000 2.043 1109 L HA -0.133 4.207 4.340 0.000 0.000 0.212 1109 L C 2.623 179.473 176.870 -0.034 0.000 1.075 1109 L CA 1.981 56.801 54.840 -0.033 0.000 0.752 1109 L CB -0.818 41.224 42.059 -0.029 0.000 0.891 1109 L HN 0.940 nan 8.230 nan 0.000 0.432 1110 S N -0.746 114.933 115.700 -0.034 0.000 2.368 1110 S HA -0.147 4.323 4.470 0.000 0.000 0.224 1110 S C 1.921 176.499 174.600 -0.038 0.000 1.029 1110 S CA 0.955 59.133 58.200 -0.036 0.000 0.988 1110 S CB 0.036 63.215 63.200 -0.033 0.000 0.838 1110 S HN 0.338 nan 8.310 nan 0.000 0.462 1111 K N 1.001 121.379 120.400 -0.036 0.000 2.026 1111 K HA 0.004 4.324 4.320 0.000 0.000 0.208 1111 K C 2.096 178.687 176.600 -0.016 0.000 1.048 1111 K CA 1.292 57.562 56.287 -0.030 0.000 0.929 1111 K CB -0.560 31.921 32.500 -0.032 0.000 0.713 1111 K HN 0.481 nan 8.250 nan 0.000 0.439 1112 M N 0.385 119.974 119.600 -0.019 0.000 2.117 1112 M HA -0.135 4.345 4.480 0.000 0.000 0.262 1112 M C 2.100 178.385 176.300 -0.025 0.000 1.065 1112 M CA 1.144 56.434 55.300 -0.017 0.000 1.114 1112 M CB -0.389 32.194 32.600 -0.029 0.000 1.361 1112 M HN -0.033 nan 8.290 nan 0.000 0.408 1113 I N 0.751 121.300 120.570 -0.036 0.000 2.194 1113 I HA -0.292 3.878 4.170 0.000 0.000 0.246 1113 I C 2.562 178.638 176.117 -0.068 0.000 1.093 1113 I CA 1.789 63.060 61.300 -0.049 0.000 1.355 1113 I CB -1.238 36.726 38.000 -0.060 0.000 1.046 1113 I HN 0.376 nan 8.210 nan 0.000 0.413 1114 Q N 0.611 120.374 119.800 -0.062 0.000 2.061 1114 Q HA -0.174 4.166 4.340 0.000 0.000 0.204 1114 Q C 2.276 178.244 176.000 -0.054 0.000 0.984 1114 Q CA 1.859 57.619 55.803 -0.072 0.000 0.846 1114 Q CB -0.237 28.483 28.738 -0.030 0.000 0.902 1114 Q HN 0.466 nan 8.270 nan 0.000 0.421 1115 M N -0.870 118.721 119.600 -0.016 0.000 2.117 1115 M HA -0.125 4.355 4.480 0.000 0.000 0.262 1115 M C 2.183 178.494 176.300 0.018 0.000 1.065 1115 M CA 1.456 56.759 55.300 0.005 0.000 1.114 1115 M CB -0.478 32.134 32.600 0.021 0.000 1.361 1115 M HN 0.305 nan 8.290 nan 0.000 0.408 1116 A N 0.838 123.672 122.820 0.023 0.000 1.865 1116 A HA -0.111 4.209 4.320 0.000 0.000 0.217 1116 A C 2.380 180.069 177.584 0.175 0.000 1.191 1116 A CA 2.147 54.261 52.037 0.127 0.000 0.623 1116 A CB -1.656 17.404 19.000 0.100 0.000 0.826 1116 A HN 0.556 nan 8.150 nan 0.000 0.444 1117 G N -0.772 108.017 108.800 -0.018 0.000 2.408 1117 G HA2 -0.170 3.791 3.960 0.000 0.000 0.217 1117 G HA3 -0.170 3.791 3.960 0.000 0.000 0.217 1117 G C 1.433 176.256 174.900 -0.128 0.000 1.150 1117 G CA 0.965 45.978 45.100 -0.144 0.000 0.776 1117 G HN 0.676 nan 8.290 nan 0.000 0.542 1118 E N -0.044 120.061 120.200 -0.159 0.000 2.107 1118 E HA 0.010 4.360 4.350 0.000 0.000 0.191 1118 E C 2.478 178.981 176.600 -0.160 0.000 0.982 1118 E CA 0.371 56.578 56.400 -0.322 0.000 0.809 1118 E CB -0.080 29.503 29.700 -0.194 0.000 0.756 1118 E HN 0.441 nan 8.360 nan 0.000 0.459 1119 I N 1.180 121.758 120.570 0.014 0.000 2.252 1119 I HA -0.230 3.940 4.170 0.000 0.000 0.245 1119 I C 2.560 178.706 176.117 0.049 0.000 1.102 1119 I CA 0.792 62.150 61.300 0.096 0.000 1.385 1119 I CB -0.307 37.830 38.000 0.227 0.000 1.064 1119 I HN 0.076 nan 8.210 nan 0.000 0.414 1120 A N 0.447 123.313 122.820 0.077 0.000 1.902 1120 A HA -0.299 4.021 4.320 0.000 0.000 0.217 1120 A C 1.978 179.466 177.584 -0.159 0.000 1.181 1120 A CA 2.316 54.244 52.037 -0.182 0.000 0.623 1120 A CB -0.725 18.211 19.000 -0.106 0.000 0.818 1120 A HN 0.427 nan 8.150 nan 0.000 0.443 1121 D N -0.770 119.644 120.400 0.024 0.000 2.117 1121 D HA -0.046 4.594 4.640 0.000 0.000 0.197 1121 D C 1.989 178.378 176.300 0.149 0.000 0.987 1121 D CA 1.623 55.743 54.000 0.201 0.000 0.829 1121 D CB -0.388 40.622 40.800 0.350 0.000 0.961 1121 D HN 0.315 nan 8.370 nan 0.000 0.460 1122 G N -0.082 108.760 108.800 0.069 0.000 2.422 1122 G HA2 -0.229 3.731 3.960 0.000 0.000 0.218 1122 G HA3 -0.229 3.731 3.960 0.000 0.000 0.218 1122 G C 1.504 176.335 174.900 -0.114 0.000 1.146 1122 G CA 0.710 45.836 45.100 0.043 0.000 0.769 1122 G HN 0.177 nan 8.290 nan 0.000 0.547 1123 M N 1.048 120.425 119.600 -0.371 0.000 2.156 1123 M HA 0.150 4.630 4.480 0.000 0.000 0.264 1123 M C 3.021 179.008 176.300 -0.523 0.000 1.067 1123 M CA 1.074 55.950 55.300 -0.708 0.000 1.131 1123 M CB -1.250 30.227 32.600 -1.871 0.000 1.368 1123 M HN 0.306 nan 8.290 nan 0.000 0.416 1124 A N -0.570 122.052 122.820 -0.331 0.000 1.883 1124 A HA -0.239 4.081 4.320 0.000 0.000 0.217 1124 A C 2.160 179.599 177.584 -0.243 0.000 1.186 1124 A CA 1.610 53.666 52.037 0.031 0.000 0.624 1124 A CB -1.245 17.968 19.000 0.355 0.000 0.822 1124 A HN 0.482 nan 8.150 nan 0.000 0.444 1125 Y N 0.434 120.341 120.300 -0.655 0.000 2.081 1125 Y HA -0.250 4.300 4.550 0.000 0.000 0.280 1125 Y C 2.133 177.675 175.900 -0.598 0.000 1.163 1125 Y CA 1.832 59.303 58.100 -1.049 0.000 1.135 1125 Y CB -0.433 37.611 38.460 -0.693 0.000 0.970 1125 Y HN 0.220 nan 8.280 nan 0.000 0.498 1126 L N 0.254 121.211 121.223 -0.444 0.000 1.978 1126 L HA -0.367 3.973 4.340 0.000 0.000 0.218 1126 L C 2.072 178.802 176.870 -0.232 0.000 1.075 1126 L CA 2.532 57.110 54.840 -0.437 0.000 0.767 1126 L CB -0.940 40.988 42.059 -0.218 0.000 0.890 1126 L HN 0.452 nan 8.230 nan 0.000 0.434 1127 N N -0.663 117.967 118.700 -0.118 0.000 2.166 1127 N HA -0.152 4.588 4.740 0.000 0.000 0.186 1127 N C 1.807 177.284 175.510 -0.055 0.000 1.019 1127 N CA 0.980 54.027 53.050 -0.005 0.000 0.856 1127 N CB -0.095 38.463 38.487 0.119 0.000 0.993 1127 N HN 0.355 nan 8.380 nan 0.000 0.426 1128 A N 1.355 124.095 122.820 -0.132 0.000 1.972 1128 A HA -0.087 4.233 4.320 0.000 0.000 0.219 1128 A C 1.603 179.112 177.584 -0.125 0.000 1.169 1128 A CA 1.112 53.092 52.037 -0.094 0.000 0.635 1128 A CB -0.240 18.714 19.000 -0.076 0.000 0.810 1128 A HN 0.328 nan 8.150 nan 0.000 0.446 1129 N N -0.217 118.356 118.700 -0.211 0.000 2.314 1129 N HA 0.013 4.753 4.740 0.000 0.000 0.200 1129 N C -0.609 174.924 175.510 0.039 0.000 1.135 1129 N CA 0.105 53.114 53.050 -0.067 0.000 0.835 1129 N CB 0.276 38.707 38.487 -0.093 0.000 0.989 1129 N HN 0.126 nan 8.380 nan 0.000 0.478 1130 K N 0.181 120.551 120.400 -0.049 0.000 3.203 1130 K HA -0.135 4.185 4.320 0.000 0.000 0.270 1130 K C -1.228 175.166 176.600 -0.343 0.000 1.132 1130 K CA 0.659 56.846 56.287 -0.166 0.000 0.794 1130 K CB -2.085 30.285 32.500 -0.217 0.000 1.270 1130 K HN 0.172 nan 8.250 nan 0.000 0.491 1131 F N -0.653 119.255 119.950 -0.071 0.000 2.540 1131 F HA 0.410 4.937 4.527 0.000 0.000 0.317 1131 F C 0.665 176.468 175.800 0.005 0.000 1.104 1131 F CA -1.050 56.930 58.000 -0.033 0.000 0.913 1131 F CB 1.767 40.736 39.000 -0.052 0.000 1.170 1131 F HN -0.228 nan 8.300 nan 0.000 0.450 1132 V N 3.803 123.841 119.914 0.207 0.000 2.350 1132 V HA 0.107 4.227 4.120 0.000 0.000 0.276 1132 V C 1.103 177.337 176.094 0.235 0.000 1.028 1132 V CA -0.467 61.956 62.300 0.204 0.000 0.860 1132 V CB 0.928 32.846 31.823 0.157 0.000 0.990 1132 V HN 0.872 nan 8.190 nan 0.000 0.453 1133 H N 5.151 124.337 119.070 0.193 0.000 2.353 1133 H HA -0.103 4.453 4.556 0.000 0.000 0.300 1133 H C 1.714 177.111 175.328 0.115 0.000 1.090 1133 H CA 2.235 58.397 56.048 0.190 0.000 1.327 1133 H CB 0.374 30.247 29.762 0.185 0.000 1.383 1133 H HN 0.742 nan 8.280 nan 0.000 0.508 1134 R N -1.257 119.395 120.500 0.254 0.000 4.002 1134 R HA -0.199 4.141 4.340 0.000 0.000 0.443 1134 R C 0.163 176.576 176.300 0.188 0.000 0.770 1134 R CA 1.621 57.777 56.100 0.094 0.000 1.648 1134 R CB -1.302 28.812 30.300 -0.311 0.000 2.287 1134 R HN 0.303 nan 8.270 nan 0.000 0.454 1135 D N 0.344 120.931 120.400 0.312 0.000 2.720 1135 D HA 0.149 4.789 4.640 0.000 0.000 0.285 1135 D C -0.843 175.628 176.300 0.284 0.000 1.359 1135 D CA -0.416 53.727 54.000 0.237 0.000 0.818 1135 D CB 0.278 41.130 40.800 0.086 0.000 1.108 1135 D HN 0.018 nan 8.370 nan 0.000 0.474 1136 L N 1.606 123.001 121.223 0.286 0.000 2.462 1136 L HA 0.538 4.878 4.340 0.000 0.000 0.272 1136 L C -0.478 176.420 176.870 0.047 0.000 1.166 1136 L CA 0.275 55.118 54.840 0.004 0.000 0.880 1136 L CB 0.445 42.535 42.059 0.052 0.000 1.142 1136 L HN 0.145 nan 8.230 nan 0.000 0.473 1137 A N 3.877 126.651 122.820 -0.077 0.000 2.597 1137 A HA 0.675 4.995 4.320 0.000 0.000 0.292 1137 A C 0.480 178.029 177.584 -0.057 0.000 1.057 1137 A CA -0.171 51.773 52.037 -0.155 0.000 0.674 1137 A CB 0.331 18.884 19.000 -0.745 0.000 1.278 1137 A HN 1.101 nan 8.150 nan 0.000 0.416 1138 A N 0.935 123.794 122.820 0.064 0.000 1.948 1138 A HA -0.186 4.134 4.320 0.000 0.000 0.220 1138 A C 1.983 179.569 177.584 0.004 0.000 1.177 1138 A CA 2.224 54.302 52.037 0.069 0.000 0.636 1138 A CB -0.626 18.463 19.000 0.149 0.000 0.815 1138 A HN 1.232 nan 8.150 nan 0.000 0.449 1139 R N -0.819 119.647 120.500 -0.056 0.000 2.241 1139 R HA -0.095 4.245 4.340 0.000 0.000 0.224 1139 R C 0.743 176.999 176.300 -0.074 0.000 1.101 1139 R CA 1.734 57.794 56.100 -0.067 0.000 0.995 1139 R CB -0.418 29.809 30.300 -0.122 0.000 0.870 1139 R HN 0.402 nan 8.270 nan 0.000 0.463 1140 N N -0.036 118.610 118.700 -0.091 0.000 2.325 1140 N HA 0.073 4.813 4.740 0.000 0.000 0.182 1140 N C -0.322 175.135 175.510 -0.088 0.000 1.088 1140 N CA 0.173 53.170 53.050 -0.087 0.000 0.879 1140 N CB 0.363 38.808 38.487 -0.069 0.000 0.983 1140 N HN 0.170 nan 8.380 nan 0.000 0.471 1141 C N 1.653 120.914 119.300 -0.064 0.000 2.405 1141 C HA 0.539 4.999 4.460 0.000 0.000 0.365 1141 C C 0.532 175.501 174.990 -0.035 0.000 1.233 1141 C CA -0.855 58.134 59.018 -0.049 0.000 2.230 1141 C CB 0.518 28.243 27.740 -0.025 0.000 2.443 1141 C HN 0.191 nan 8.230 nan 0.000 0.556 1142 M N 1.823 121.400 119.600 -0.039 0.000 2.664 1142 M HA 0.557 5.037 4.480 0.000 0.000 0.314 1142 M C -0.832 175.426 176.300 -0.069 0.000 1.200 1142 M CA -0.501 54.772 55.300 -0.045 0.000 0.916 1142 M CB 1.566 34.141 32.600 -0.041 0.000 1.717 1142 M HN 0.353 nan 8.290 nan 0.000 0.470 1143 V N 1.300 121.148 119.914 -0.111 0.000 2.459 1143 V HA 0.691 4.811 4.120 0.000 0.000 0.295 1143 V C 0.273 176.257 176.094 -0.183 0.000 1.029 1143 V CA -0.918 61.269 62.300 -0.189 0.000 0.874 1143 V CB 1.323 32.915 31.823 -0.386 0.000 0.985 1143 V HN 1.013 nan 8.190 nan 0.000 0.438 1144 A N 2.549 125.272 122.820 -0.162 0.000 2.271 1144 A HA 0.539 4.859 4.320 0.000 0.000 0.288 1144 A C 1.238 178.678 177.584 -0.240 0.000 1.094 1144 A CA -0.104 51.845 52.037 -0.147 0.000 0.828 1144 A CB 0.399 19.349 19.000 -0.084 0.000 1.091 1144 A HN 0.953 nan 8.150 nan 0.000 0.493 1145 E N 0.452 120.537 120.200 -0.192 0.000 2.108 1145 E HA -0.271 4.079 4.350 0.000 0.000 0.203 1145 E C 0.950 177.371 176.600 -0.297 0.000 1.022 1145 E CA 2.389 58.649 56.400 -0.233 0.000 0.823 1145 E CB -0.128 29.506 29.700 -0.110 0.000 0.744 1145 E HN 0.768 nan 8.360 nan 0.000 0.456 1146 D N -1.516 118.817 120.400 -0.112 0.000 2.325 1146 D HA -0.076 4.564 4.640 0.000 0.000 0.234 1146 D C -0.034 176.388 176.300 0.204 0.000 1.122 1146 D CA -0.082 53.956 54.000 0.064 0.000 0.850 1146 D CB -0.615 40.252 40.800 0.113 0.000 0.921 1146 D HN 0.352 nan 8.370 nan 0.000 0.513 1147 F N -1.445 118.484 119.950 -0.036 0.000 2.748 1147 F HA -0.258 4.269 4.527 0.000 0.000 0.370 1147 F C 0.552 176.309 175.800 -0.072 0.000 0.620 1147 F CA 0.835 58.778 58.000 -0.096 0.000 1.233 1147 F CB -2.484 36.483 39.000 -0.054 0.000 1.708 1147 F HN -0.083 nan 8.300 nan 0.000 0.298 1148 T N 1.858 116.479 114.554 0.110 0.000 2.928 1148 T HA 0.427 4.777 4.350 0.000 0.000 0.305 1148 T C 0.549 175.275 174.700 0.043 0.000 1.035 1148 T CA -0.140 62.031 62.100 0.118 0.000 1.145 1148 T CB 1.171 70.136 68.868 0.162 0.000 0.963 1148 T HN 0.043 nan 8.240 nan 0.000 0.545 1149 V N 4.587 124.535 119.914 0.057 0.000 2.617 1149 V HA 0.521 4.641 4.120 0.000 0.000 0.298 1149 V C 0.209 176.340 176.094 0.061 0.000 1.048 1149 V CA -0.579 61.732 62.300 0.019 0.000 0.964 1149 V CB 1.529 33.356 31.823 0.006 0.000 1.004 1149 V HN 0.772 nan 8.190 nan 0.000 0.466 1150 K N 2.736 123.152 120.400 0.027 0.000 2.508 1150 K HA 0.591 4.911 4.320 0.000 0.000 0.260 1150 K C -1.673 174.937 176.600 0.016 0.000 0.949 1150 K CA -0.978 55.337 56.287 0.047 0.000 0.834 1150 K CB 2.355 34.863 32.500 0.013 0.000 1.365 1150 K HN 0.287 nan 8.250 nan 0.000 0.437 1151 I N 1.063 121.655 120.570 0.037 0.000 2.519 1151 I HA 0.235 4.405 4.170 0.000 0.000 0.287 1151 I C 1.215 177.297 176.117 -0.058 0.000 1.047 1151 I CA 0.191 61.477 61.300 -0.023 0.000 1.381 1151 I CB 1.058 39.072 38.000 0.022 0.000 1.417 1151 I HN 0.986 nan 8.210 nan 0.000 0.540 1152 G N 3.238 111.880 108.800 -0.264 0.000 3.102 1152 G HA2 0.040 4.000 3.960 0.000 0.000 0.204 1152 G HA3 0.040 4.000 3.960 0.000 0.000 0.204 1152 G C -0.295 174.324 174.900 -0.468 0.000 1.155 1152 G CA -0.006 44.929 45.100 -0.275 0.000 0.931 1152 G HN 0.495 nan 8.290 nan 0.000 0.691 1153 D N -0.013 120.023 120.400 -0.606 0.000 2.505 1153 D HA 0.454 5.094 4.640 0.000 0.000 0.250 1153 D C -0.624 175.340 176.300 -0.561 0.000 1.164 1153 D CA -0.775 52.976 54.000 -0.414 0.000 0.870 1153 D CB 1.079 41.780 40.800 -0.165 0.000 1.160 1153 D HN 0.048 nan 8.370 nan 0.000 0.549 1154 F N 1.096 121.012 119.950 -0.057 0.000 2.698 1154 F HA 0.282 4.809 4.527 0.000 0.000 0.304 1154 F C 2.170 177.898 175.800 -0.120 0.000 1.108 1154 F CA -0.643 57.260 58.000 -0.160 0.000 1.263 1154 F CB 1.196 40.160 39.000 -0.060 0.000 1.013 1154 F HN 0.498 nan 8.300 nan 0.000 0.532 1155 G N 0.110 108.938 108.800 0.046 0.000 2.535 1155 G HA2 -0.215 3.745 3.960 0.000 0.000 0.218 1155 G HA3 -0.215 3.745 3.960 0.000 0.000 0.218 1155 G C 1.346 176.257 174.900 0.017 0.000 1.122 1155 G CA 0.729 45.864 45.100 0.057 0.000 0.769 1155 G HN 0.257 nan 8.290 nan 0.000 0.549 1156 M N 0.565 120.143 119.600 -0.037 0.000 2.306 1156 M HA 0.249 4.729 4.480 0.000 0.000 0.292 1156 M C 1.203 177.456 176.300 -0.078 0.000 1.018 1156 M CA -0.031 55.228 55.300 -0.067 0.000 1.007 1156 M CB 0.781 33.327 32.600 -0.090 0.000 1.510 1156 M HN 0.081 nan 8.290 nan 0.000 0.537 1157 T N 0.524 115.059 114.554 -0.032 0.000 2.882 1157 T HA 0.579 4.929 4.350 0.000 0.000 0.287 1157 T C 0.030 174.809 174.700 0.132 0.000 1.014 1157 T CA -0.517 61.609 62.100 0.045 0.000 1.049 1157 T CB 1.031 69.966 68.868 0.112 0.000 1.001 1157 T HN 0.148 nan 8.240 nan 0.000 0.525 1158 R N 1.877 122.483 120.500 0.177 0.000 2.771 1158 R HA 0.406 4.746 4.340 0.000 0.000 0.274 1158 R C -1.109 175.240 176.300 0.083 0.000 0.987 1158 R CA -0.861 55.321 56.100 0.137 0.000 0.908 1158 R CB 1.503 31.823 30.300 0.033 0.000 1.213 1158 R HN 0.870 nan 8.270 nan 0.000 0.468 1159 D N 2.362 122.689 120.400 -0.121 0.000 2.350 1159 D HA 0.338 4.978 4.640 0.000 0.000 0.249 1159 D C 0.149 176.257 176.300 -0.320 0.000 1.119 1159 D CA -0.121 53.536 54.000 -0.572 0.000 0.886 1159 D CB 0.646 41.182 40.800 -0.440 0.000 1.195 1159 D HN 0.472 nan 8.370 nan 0.000 0.437 1163 T N -0.073 114.465 114.554 -0.027 0.000 13.111 1163 T HA -0.227 4.123 4.350 0.000 0.000 0.409 1163 T C 0.313 174.999 174.700 -0.023 0.000 1.518 1163 T CA 0.528 62.616 62.100 -0.020 0.000 2.479 1163 T CB -1.501 67.355 68.868 -0.020 0.000 2.698 1163 T HN 0.818 nan 8.240 nan 0.000 0.544 1168 K N 2.222 122.744 120.400 0.204 0.000 2.412 1168 K HA 0.213 4.533 4.320 0.000 0.000 0.284 1168 K C 0.791 177.449 176.600 0.096 0.000 1.046 1168 K CA 0.701 57.093 56.287 0.176 0.000 0.999 1168 K CB 0.983 33.643 32.500 0.266 0.000 0.941 1168 K HN 0.687 nan 8.250 nan 0.000 0.474 1169 G N 2.857 111.700 108.800 0.072 0.000 2.547 1169 G HA2 -0.009 3.952 3.960 0.000 0.000 0.214 1169 G HA3 -0.009 3.952 3.960 0.000 0.000 0.214 1169 G C 0.681 175.608 174.900 0.044 0.000 1.254 1169 G CA 0.628 45.757 45.100 0.048 0.000 0.817 1169 G HN 0.700 nan 8.290 nan 0.000 0.551 1170 G N -0.564 108.262 108.800 0.043 0.000 2.773 1170 G HA2 0.426 4.386 3.960 0.000 0.000 0.186 1170 G HA3 0.426 4.386 3.960 0.000 0.000 0.186 1170 G C -0.331 174.595 174.900 0.043 0.000 1.411 1170 G CA -0.497 44.625 45.100 0.037 0.000 1.054 1170 G HN 0.179 nan 8.290 nan 0.000 0.579 1171 K N 0.747 121.169 120.400 0.036 0.000 2.451 1171 K HA 0.292 4.612 4.320 0.000 0.000 0.280 1171 K C 0.265 176.893 176.600 0.047 0.000 1.020 1171 K CA 0.138 56.449 56.287 0.038 0.000 1.008 1171 K CB 0.515 33.032 32.500 0.029 0.000 0.917 1171 K HN 0.489 nan 8.250 nan 0.000 0.478 1172 G N 2.960 111.797 108.800 0.061 0.000 2.452 1172 G HA2 0.496 4.457 3.960 0.000 0.000 0.324 1172 G HA3 0.496 4.457 3.960 0.000 0.000 0.324 1172 G C 0.293 175.232 174.900 0.065 0.000 1.214 1172 G CA -0.610 44.533 45.100 0.072 0.000 0.947 1172 G HN 0.563 nan 8.290 nan 0.000 0.478 1173 L N 1.952 123.207 121.223 0.053 0.000 2.818 1173 L HA 0.296 4.636 4.340 0.000 0.000 0.243 1173 L C 0.461 177.367 176.870 0.061 0.000 1.185 1173 L CA -0.172 54.697 54.840 0.048 0.000 0.988 1173 L CB -0.129 41.945 42.059 0.026 0.000 1.292 1173 L HN 0.237 nan 8.230 nan 0.000 0.519 1174 L N 1.844 123.119 121.223 0.085 0.000 2.453 1174 L HA 0.165 4.505 4.340 0.000 0.000 0.272 1174 L C -1.846 175.116 176.870 0.153 0.000 1.182 1174 L CA -1.706 53.201 54.840 0.112 0.000 0.858 1174 L CB -0.054 42.101 42.059 0.159 0.000 1.120 1174 L HN -0.117 nan 8.230 nan 0.000 0.474 1175 P HA -0.028 nan 4.420 nan 0.000 0.267 1175 P C 0.798 178.306 177.300 0.346 0.000 1.209 1175 P CA -0.308 62.951 63.100 0.264 0.000 0.763 1175 P CB 0.750 32.639 31.700 0.314 0.000 0.816 1176 V N 2.428 122.492 119.914 0.251 0.000 2.759 1176 V HA -0.181 3.939 4.120 0.000 0.000 0.256 1176 V C 1.678 177.893 176.094 0.202 0.000 1.080 1176 V CA 1.068 63.477 62.300 0.182 0.000 1.101 1176 V CB -1.040 30.829 31.823 0.076 0.000 0.698 1176 V HN 0.395 nan 8.190 nan 0.000 0.477 1177 R N -0.766 119.900 120.500 0.276 0.000 2.237 1177 R HA -0.022 4.318 4.340 0.000 0.000 0.219 1177 R C 1.778 178.110 176.300 0.052 0.000 1.080 1177 R CA 1.438 57.606 56.100 0.114 0.000 0.995 1177 R CB -0.297 29.965 30.300 -0.064 0.000 0.875 1177 R HN 0.631 nan 8.270 nan 0.000 0.462 1178 W N 0.426 121.894 121.300 0.281 0.000 3.220 1178 W HA 0.298 4.958 4.660 0.000 0.000 0.328 1178 W C 0.211 176.975 176.519 0.408 0.000 1.205 1178 W CA -0.463 57.093 57.345 0.351 0.000 1.773 1178 W CB 0.280 29.907 29.460 0.278 0.000 1.086 1178 W HN -0.038 nan 8.180 nan 0.000 0.622 1179 M N 1.104 120.949 119.600 0.409 0.000 2.233 1179 M HA 0.115 4.595 4.480 0.000 0.000 0.355 1179 M C 1.012 177.141 176.300 -0.285 0.000 1.191 1179 M CA 0.020 55.424 55.300 0.172 0.000 1.101 1179 M CB 1.394 34.069 32.600 0.126 0.000 1.592 1179 M HN -0.273 nan 8.290 nan 0.000 0.461 1180 S N 2.504 117.843 115.700 -0.602 0.000 2.593 1180 S HA 0.263 4.733 4.470 0.000 0.000 0.269 1180 S C -2.105 171.923 174.600 -0.954 0.000 1.334 1180 S CA -1.101 56.262 58.200 -1.394 0.000 1.015 1180 S CB 0.487 63.221 63.200 -0.776 0.000 0.912 1180 S HN 0.448 nan 8.310 nan 0.000 0.541 1181 P HA -0.189 nan 4.420 nan 0.000 0.216 1181 P C 1.613 178.602 177.300 -0.518 0.000 1.153 1181 P CA 1.553 64.231 63.100 -0.704 0.000 0.858 1181 P CB -0.089 31.082 31.700 -0.882 0.000 0.789 1182 E N -0.647 119.233 120.200 -0.534 0.000 2.208 1182 E HA -0.072 4.278 4.350 0.000 0.000 0.193 1182 E C 1.525 177.912 176.600 -0.354 0.000 0.988 1182 E CA 1.239 57.420 56.400 -0.365 0.000 0.828 1182 E CB -0.861 28.664 29.700 -0.292 0.000 0.763 1182 E HN 0.153 nan 8.360 nan 0.000 0.478 1183 S N 1.229 116.663 115.700 -0.443 0.000 2.377 1183 S HA 0.074 4.544 4.470 0.000 0.000 0.223 1183 S C 2.115 176.493 174.600 -0.368 0.000 1.030 1183 S CA 0.516 58.375 58.200 -0.568 0.000 0.970 1183 S CB -0.216 62.546 63.200 -0.731 0.000 0.830 1183 S HN 0.193 nan 8.310 nan 0.000 0.473 1184 L N 1.272 122.324 121.223 -0.286 0.000 2.079 1184 L HA -0.152 4.188 4.340 0.000 0.000 0.210 1184 L C 2.555 179.336 176.870 -0.149 0.000 1.081 1184 L CA 1.314 56.045 54.840 -0.181 0.000 0.752 1184 L CB -0.344 41.603 42.059 -0.187 0.000 0.896 1184 L HN 0.273 nan 8.230 nan 0.000 0.433 1185 K N -0.445 119.850 120.400 -0.175 0.000 2.067 1185 K HA -0.096 4.224 4.320 0.000 0.000 0.203 1185 K C 0.957 177.493 176.600 -0.107 0.000 1.048 1185 K CA 1.423 57.637 56.287 -0.123 0.000 0.954 1185 K CB 0.305 32.737 32.500 -0.114 0.000 0.737 1185 K HN 0.275 nan 8.250 nan 0.000 0.444 1186 D N -1.826 118.491 120.400 -0.139 0.000 2.474 1186 D HA 0.128 4.768 4.640 0.000 0.000 0.213 1186 D C 0.646 176.879 176.300 -0.113 0.000 1.120 1186 D CA 0.613 54.549 54.000 -0.106 0.000 0.836 1186 D CB 1.090 41.832 40.800 -0.096 0.000 1.019 1186 D HN 0.380 nan 8.370 nan 0.000 0.507 1187 G N 1.159 109.845 108.800 -0.189 0.000 2.176 1187 G HA2 -0.252 3.708 3.960 0.000 0.000 0.252 1187 G HA3 -0.252 3.708 3.960 0.000 0.000 0.252 1187 G C 0.127 174.869 174.900 -0.263 0.000 1.024 1187 G CA 0.269 45.255 45.100 -0.189 0.000 0.755 1187 G HN 0.287 nan 8.290 nan 0.000 0.507 1188 V N 0.323 120.009 119.914 -0.380 0.000 2.407 1188 V HA 0.729 4.849 4.120 0.000 0.000 0.278 1188 V C 0.035 175.868 176.094 -0.436 0.000 1.037 1188 V CA -0.536 61.617 62.300 -0.245 0.000 0.900 1188 V CB 1.016 32.757 31.823 -0.137 0.000 0.983 1188 V HN 0.230 nan 8.190 nan 0.000 0.459 1189 F N 2.904 122.864 119.950 0.018 0.000 2.482 1189 F HA 0.749 5.276 4.527 0.000 0.000 0.331 1189 F C 0.570 176.383 175.800 0.022 0.000 1.115 1189 F CA -0.398 57.624 58.000 0.037 0.000 0.955 1189 F CB 2.303 41.338 39.000 0.059 0.000 1.136 1189 F HN 0.620 nan 8.300 nan 0.000 0.452 1190 T N -3.256 111.403 114.554 0.175 0.000 2.696 1190 T HA 0.255 4.605 4.350 0.000 0.000 0.291 1190 T C 0.836 175.550 174.700 0.022 0.000 1.095 1190 T CA 0.047 62.161 62.100 0.023 0.000 1.026 1190 T CB 1.228 70.036 68.868 -0.100 0.000 1.390 1190 T HN 0.594 nan 8.240 nan 0.000 0.513 1191 T N -1.270 113.189 114.554 -0.158 0.000 2.995 1191 T HA -0.076 4.274 4.350 0.000 0.000 0.269 1191 T C 1.256 175.961 174.700 0.008 0.000 1.091 1191 T CA 1.047 63.120 62.100 -0.045 0.000 1.128 1191 T CB -0.867 67.942 68.868 -0.098 0.000 0.891 1191 T HN 0.583 nan 8.240 nan 0.000 0.492 1192 Y N 2.655 123.007 120.300 0.085 0.000 2.293 1192 Y HA 0.041 4.591 4.550 0.000 0.000 0.291 1192 Y C 3.169 179.152 175.900 0.139 0.000 1.137 1192 Y CA 0.595 58.733 58.100 0.062 0.000 1.202 1192 Y CB -0.996 37.487 38.460 0.039 0.000 0.990 1192 Y HN 0.484 nan 8.280 nan 0.000 0.537 1193 S N -0.824 115.051 115.700 0.291 0.000 2.436 1193 S HA -0.124 4.346 4.470 0.000 0.000 0.228 1193 S C 1.517 176.371 174.600 0.423 0.000 1.014 1193 S CA 1.105 59.487 58.200 0.303 0.000 0.950 1193 S CB -0.311 63.011 63.200 0.204 0.000 0.784 1193 S HN 0.275 nan 8.310 nan 0.000 0.504 1194 D N 1.760 122.392 120.400 0.387 0.000 2.117 1194 D HA -0.016 4.624 4.640 0.000 0.000 0.197 1194 D C 2.049 178.647 176.300 0.496 0.000 0.987 1194 D CA 0.881 55.162 54.000 0.468 0.000 0.829 1194 D CB -0.492 40.605 40.800 0.495 0.000 0.961 1194 D HN 0.301 nan 8.370 nan 0.000 0.460 1195 V N 0.935 120.996 119.914 0.244 0.000 2.407 1195 V HA -0.200 3.920 4.120 0.000 0.000 0.248 1195 V C 2.121 178.416 176.094 0.335 0.000 1.055 1195 V CA 1.243 63.571 62.300 0.048 0.000 1.049 1195 V CB -0.448 31.250 31.823 -0.209 0.000 0.662 1195 V HN 0.405 nan 8.190 nan 0.000 0.455 1196 W N 1.286 122.737 121.300 0.252 0.000 2.304 1196 W HA -0.266 4.394 4.660 0.000 0.000 0.328 1196 W C 2.607 179.388 176.519 0.436 0.000 1.242 1196 W CA 2.434 59.989 57.345 0.350 0.000 1.243 1196 W CB -0.780 28.842 29.460 0.270 0.000 1.170 1196 W HN 0.331 nan 8.180 nan 0.000 0.460 1197 S N 1.003 117.147 115.700 0.739 0.000 2.380 1197 S HA -0.309 4.161 4.470 0.000 0.000 0.229 1197 S C 1.551 176.453 174.600 0.504 0.000 1.043 1197 S CA 2.017 60.609 58.200 0.654 0.000 1.038 1197 S CB -1.274 62.304 63.200 0.631 0.000 0.872 1197 S HN 0.399 nan 8.310 nan 0.000 0.456 1198 F N 2.502 122.659 119.950 0.346 0.000 2.120 1198 F HA -0.105 4.422 4.527 0.000 0.000 0.300 1198 F C 2.292 178.186 175.800 0.157 0.000 1.095 1198 F CA 1.430 59.598 58.000 0.281 0.000 1.249 1198 F CB -0.985 38.234 39.000 0.366 0.000 0.995 1198 F HN 0.218 nan 8.300 nan 0.000 0.480 1199 G N -0.256 108.593 108.800 0.081 0.000 2.432 1199 G HA2 -0.201 3.759 3.960 0.000 0.000 0.219 1199 G HA3 -0.201 3.759 3.960 0.000 0.000 0.219 1199 G C 1.696 176.596 174.900 -0.001 0.000 1.135 1199 G CA 1.128 46.070 45.100 -0.262 0.000 0.767 1199 G HN 0.369 nan 8.290 nan 0.000 0.550 1200 V N 0.628 120.685 119.914 0.238 0.000 2.427 1200 V HA -0.135 3.985 4.120 0.000 0.000 0.248 1200 V C 2.934 179.188 176.094 0.266 0.000 1.051 1200 V CA 1.545 63.987 62.300 0.238 0.000 1.048 1200 V CB -0.014 31.807 31.823 -0.003 0.000 0.666 1200 V HN 0.338 nan 8.190 nan 0.000 0.456 1201 V N -0.755 119.287 119.914 0.213 0.000 2.970 1201 V HA -0.103 4.017 4.120 0.000 0.000 0.260 1201 V C 2.005 178.090 176.094 -0.015 0.000 1.100 1201 V CA 1.539 63.937 62.300 0.164 0.000 1.122 1201 V CB -0.270 31.631 31.823 0.130 0.000 0.721 1201 V HN 0.480 nan 8.190 nan 0.000 0.483 1202 L N -1.398 119.722 121.223 -0.172 0.000 2.056 1202 L HA -0.093 4.247 4.340 0.000 0.000 0.207 1202 L C 2.340 179.222 176.870 0.020 0.000 1.078 1202 L CA 2.339 57.072 54.840 -0.178 0.000 0.749 1202 L CB -0.587 41.292 42.059 -0.300 0.000 0.901 1202 L HN 0.583 nan 8.230 nan 0.000 0.433 1203 W N 1.358 122.634 121.300 -0.041 0.000 2.358 1203 W HA -0.195 4.465 4.660 0.000 0.000 0.303 1203 W C 2.430 178.961 176.519 0.020 0.000 1.208 1203 W CA 1.589 58.960 57.345 0.043 0.000 1.274 1203 W CB 0.049 29.592 29.460 0.139 0.000 1.138 1203 W HN 0.096 nan 8.180 nan 0.000 0.515 1204 E N 0.036 120.425 120.200 0.315 0.000 2.058 1204 E HA -0.266 4.084 4.350 0.000 0.000 0.194 1204 E C 2.108 178.715 176.600 0.012 0.000 0.997 1204 E CA 1.931 58.451 56.400 0.199 0.000 0.801 1204 E CB -0.503 29.385 29.700 0.313 0.000 0.746 1204 E HN 0.349 nan 8.360 nan 0.000 0.450 1205 I N 0.765 121.340 120.570 0.008 0.000 2.226 1205 I HA -0.254 3.916 4.170 0.000 0.000 0.245 1205 I C 2.386 178.446 176.117 -0.094 0.000 1.100 1205 I CA 0.964 62.251 61.300 -0.022 0.000 1.374 1205 I CB -0.207 37.782 38.000 -0.019 0.000 1.057 1205 I HN 0.084 nan 8.210 nan 0.000 0.413 1206 A N -0.056 122.668 122.820 -0.160 0.000 2.119 1206 A HA -0.114 4.206 4.320 0.000 0.000 0.217 1206 A C 2.026 179.416 177.584 -0.322 0.000 1.153 1206 A CA 1.711 53.617 52.037 -0.218 0.000 0.692 1206 A CB -0.681 18.191 19.000 -0.213 0.000 0.799 1206 A HN 0.504 nan 8.150 nan 0.000 0.458 1207 T N -3.538 110.762 114.554 -0.424 0.000 3.174 1207 T HA 0.431 4.782 4.350 0.000 0.000 0.269 1207 T C 0.366 174.918 174.700 -0.247 0.000 1.017 1207 T CA -0.045 61.785 62.100 -0.450 0.000 0.899 1207 T CB -0.666 67.703 68.868 -0.832 0.000 1.077 1207 T HN 0.523 nan 8.240 nan 0.000 0.552 1208 L N 0.684 121.811 121.223 -0.161 0.000 3.677 1208 L HA -0.258 4.082 4.340 0.000 0.000 0.464 1208 L C 0.886 177.727 176.870 -0.049 0.000 1.278 1208 L CA 0.257 55.044 54.840 -0.090 0.000 0.806 1208 L CB -2.510 39.491 42.059 -0.097 0.000 1.610 1208 L HN 0.870 nan 8.230 nan 0.000 0.867 1209 A N -0.738 122.073 122.820 -0.014 0.000 2.876 1209 A HA -0.188 4.132 4.320 0.000 0.000 0.287 1209 A C 0.631 178.271 177.584 0.093 0.000 1.455 1209 A CA 1.574 53.658 52.037 0.078 0.000 0.744 1209 A CB -1.265 17.784 19.000 0.083 0.000 1.041 1209 A HN 0.710 nan 8.150 nan 0.000 0.500 1210 E N -0.382 119.855 120.200 0.062 0.000 2.351 1210 E HA 0.372 4.722 4.350 0.000 0.000 0.255 1210 E C 0.515 177.296 176.600 0.302 0.000 1.188 1210 E CA -0.528 55.950 56.400 0.131 0.000 0.940 1210 E CB 0.416 30.147 29.700 0.051 0.000 1.094 1210 E HN 0.589 nan 8.360 nan 0.000 0.474 1211 Q N 1.747 121.699 119.800 0.253 0.000 2.294 1211 Q HA 0.193 4.533 4.340 0.000 0.000 0.257 1211 Q C -2.331 173.736 176.000 0.111 0.000 0.955 1211 Q CA -2.071 53.858 55.803 0.209 0.000 0.936 1211 Q CB 0.731 29.560 28.738 0.152 0.000 1.188 1211 Q HN 0.088 nan 8.270 nan 0.000 0.420 1212 P HA -0.099 nan 4.420 nan 0.000 0.264 1212 P C -1.319 175.701 177.300 -0.466 0.000 1.193 1212 P CA 0.531 63.151 63.100 -0.799 0.000 0.763 1212 P CB 0.062 31.168 31.700 -0.990 0.000 0.810 1213 Y N -0.767 119.275 120.300 -0.429 0.000 3.389 1213 Y HA -0.252 4.298 4.550 0.000 0.000 0.213 1213 Y C 0.898 176.699 175.900 -0.165 0.000 1.272 1213 Y CA 0.408 58.333 58.100 -0.292 0.000 1.444 1213 Y CB -2.723 35.575 38.460 -0.269 0.000 1.445 1213 Y HN 0.451 nan 8.280 nan 0.000 0.583 1214 Q N 0.801 120.598 119.800 -0.005 0.000 2.330 1214 Q HA 0.347 4.687 4.340 0.000 0.000 0.279 1214 Q C 1.421 177.425 176.000 0.007 0.000 1.024 1214 Q CA 1.304 57.126 55.803 0.032 0.000 0.900 1214 Q CB 0.564 29.341 28.738 0.065 0.000 1.221 1214 Q HN 0.833 nan 8.270 nan 0.000 0.396 1215 G N 2.977 111.780 108.800 0.005 0.000 2.213 1215 G HA2 -0.201 3.759 3.960 0.000 0.000 0.226 1215 G HA3 -0.201 3.759 3.960 0.000 0.000 0.226 1215 G C -0.132 174.748 174.900 -0.034 0.000 0.992 1215 G CA 0.004 45.095 45.100 -0.015 0.000 0.632 1215 G HN 0.499 nan 8.290 nan 0.000 0.511 1216 L N 1.550 122.751 121.223 -0.037 0.000 2.334 1216 L HA 0.708 5.048 4.340 0.000 0.000 0.270 1216 L C 0.950 177.806 176.870 -0.023 0.000 1.018 1216 L CA -0.343 54.464 54.840 -0.056 0.000 0.811 1216 L CB 1.766 43.759 42.059 -0.111 0.000 1.271 1216 L HN 0.374 nan 8.230 nan 0.000 0.443 1217 S N -0.465 115.220 115.700 -0.026 0.000 2.654 1217 S HA 0.263 4.733 4.470 0.000 0.000 0.283 1217 S C 0.687 175.280 174.600 -0.013 0.000 1.180 1217 S CA -0.841 57.355 58.200 -0.008 0.000 1.021 1217 S CB 1.409 64.605 63.200 -0.006 0.000 1.018 1217 S HN 0.557 nan 8.310 nan 0.000 0.532 1218 N N 1.828 120.532 118.700 0.007 0.000 2.073 1218 N HA -0.197 4.543 4.740 0.000 0.000 0.199 1218 N C 1.549 177.051 175.510 -0.013 0.000 1.023 1218 N CA 1.904 54.958 53.050 0.007 0.000 0.880 1218 N CB -0.597 37.907 38.487 0.029 0.000 1.052 1218 N HN 0.733 nan 8.380 nan 0.000 0.449 1219 E N 0.917 121.113 120.200 -0.008 0.000 2.049 1219 E HA -0.206 4.144 4.350 0.000 0.000 0.198 1219 E C 2.000 178.588 176.600 -0.020 0.000 1.007 1219 E CA 1.210 57.603 56.400 -0.012 0.000 0.809 1219 E CB -0.201 29.495 29.700 -0.006 0.000 0.749 1219 E HN 0.552 nan 8.360 nan 0.000 0.450 1220 Q N 0.072 119.857 119.800 -0.025 0.000 2.079 1220 Q HA -0.114 4.226 4.340 0.000 0.000 0.200 1220 Q C 2.403 178.384 176.000 -0.031 0.000 0.974 1220 Q CA 1.219 57.006 55.803 -0.026 0.000 0.840 1220 Q CB -0.017 28.694 28.738 -0.044 0.000 0.898 1220 Q HN 0.097 nan 8.270 nan 0.000 0.430 1221 V N 1.302 121.164 119.914 -0.086 0.000 2.287 1221 V HA -0.266 3.854 4.120 0.000 0.000 0.248 1221 V C 2.184 178.194 176.094 -0.141 0.000 1.053 1221 V CA 1.359 63.548 62.300 -0.185 0.000 1.027 1221 V CB -0.649 31.021 31.823 -0.255 0.000 0.646 1221 V HN 0.430 nan 8.190 nan 0.000 0.447 1222 L N 0.443 121.610 121.223 -0.094 0.000 1.997 1222 L HA -0.227 4.113 4.340 0.000 0.000 0.216 1222 L C 2.623 179.453 176.870 -0.066 0.000 1.074 1222 L CA 2.208 57.001 54.840 -0.079 0.000 0.763 1222 L CB -1.076 40.955 42.059 -0.046 0.000 0.890 1222 L HN 0.323 nan 8.230 nan 0.000 0.434 1223 R N -1.902 118.581 120.500 -0.028 0.000 2.090 1223 R HA -0.167 4.173 4.340 0.000 0.000 0.228 1223 R C 2.155 178.459 176.300 0.005 0.000 1.110 1223 R CA 1.259 57.352 56.100 -0.012 0.000 0.973 1223 R CB -0.438 29.866 30.300 0.007 0.000 0.869 1223 R HN 0.321 nan 8.270 nan 0.000 0.440 1224 F N 1.255 121.129 119.950 -0.126 0.000 2.075 1224 F HA -0.203 4.324 4.527 0.000 0.000 0.297 1224 F C 2.026 177.758 175.800 -0.114 0.000 1.113 1224 F CA 1.370 59.296 58.000 -0.123 0.000 1.218 1224 F CB -0.436 38.463 39.000 -0.168 0.000 0.984 1224 F HN -0.304 nan 8.300 nan 0.000 0.472 1225 V N 0.616 120.380 119.914 -0.251 0.000 2.427 1225 V HA -0.331 3.789 4.120 0.000 0.000 0.248 1225 V C 2.502 178.477 176.094 -0.198 0.000 1.051 1225 V CA 2.166 64.287 62.300 -0.298 0.000 1.048 1225 V CB -0.635 31.054 31.823 -0.223 0.000 0.666 1225 V HN 0.408 nan 8.190 nan 0.000 0.456 1226 M N -0.749 118.764 119.600 -0.146 0.000 2.279 1226 M HA -0.165 4.315 4.480 0.000 0.000 0.264 1226 M C 1.909 178.229 176.300 0.033 0.000 1.062 1226 M CA 1.615 56.882 55.300 -0.055 0.000 1.099 1226 M CB -0.212 32.346 32.600 -0.071 0.000 1.394 1226 M HN 0.377 nan 8.290 nan 0.000 0.426 1227 E N -1.006 119.145 120.200 -0.082 0.000 2.474 1227 E HA 0.107 4.457 4.350 0.000 0.000 0.194 1227 E C 0.881 177.357 176.600 -0.206 0.000 1.041 1227 E CA 0.372 56.694 56.400 -0.129 0.000 0.874 1227 E CB 0.495 30.126 29.700 -0.114 0.000 0.914 1227 E HN 0.626 nan 8.360 nan 0.000 0.498 1228 G N 0.979 109.668 108.800 -0.186 0.000 2.151 1228 G HA2 -0.159 3.801 3.960 0.000 0.000 0.140 1228 G HA3 -0.159 3.801 3.960 0.000 0.000 0.140 1228 G C 0.384 175.119 174.900 -0.275 0.000 1.020 1228 G CA -0.509 44.507 45.100 -0.139 0.000 0.688 1228 G HN 0.386 nan 8.290 nan 0.000 0.500 1229 G N -0.303 108.068 108.800 -0.715 0.000 2.491 1229 G HA2 0.586 4.546 3.960 0.000 0.000 0.242 1229 G HA3 0.586 4.546 3.960 0.000 0.000 0.242 1229 G C 0.117 174.651 174.900 -0.611 0.000 1.266 1229 G CA -0.067 44.186 45.100 -1.412 0.000 0.844 1229 G HN 0.647 nan 8.290 nan 0.000 0.571 1230 L N 0.355 121.538 121.223 -0.065 0.000 2.309 1230 L HA 0.471 4.811 4.340 0.000 0.000 0.261 1230 L C 0.039 177.013 176.870 0.174 0.000 1.021 1230 L CA -1.030 53.828 54.840 0.030 0.000 0.823 1230 L CB 1.996 44.094 42.059 0.064 0.000 1.366 1230 L HN 0.299 nan 8.230 nan 0.000 0.423 1231 L N 0.832 121.877 121.223 -0.297 0.000 2.417 1231 L HA 0.194 4.534 4.340 0.000 0.000 0.268 1231 L C -0.327 176.613 176.870 0.117 0.000 1.158 1231 L CA -0.292 54.314 54.840 -0.391 0.000 0.819 1231 L CB 0.506 41.862 42.059 -1.172 0.000 1.112 1231 L HN 0.475 nan 8.230 nan 0.000 0.458 1232 D N 1.481 121.989 120.400 0.180 0.000 2.283 1232 D HA 0.109 4.749 4.640 0.000 0.000 0.248 1232 D C -0.102 176.358 176.300 0.266 0.000 1.072 1232 D CA -0.429 53.716 54.000 0.241 0.000 0.929 1232 D CB 1.141 42.017 40.800 0.126 0.000 1.182 1232 D HN 0.269 nan 8.370 nan 0.000 0.433 1233 K N 1.935 122.205 120.400 -0.217 0.000 2.412 1233 K HA 0.134 4.454 4.320 0.000 0.000 0.284 1233 K C -2.330 174.109 176.600 -0.268 0.000 1.046 1233 K CA -1.030 54.793 56.287 -0.774 0.000 0.999 1233 K CB 0.194 31.784 32.500 -1.516 0.000 0.941 1233 K HN 0.035 nan 8.250 nan 0.000 0.474 1234 P HA -0.030 nan 4.420 nan 0.000 0.265 1234 P C -1.091 176.094 177.300 -0.191 0.000 1.193 1234 P CA -0.067 62.902 63.100 -0.218 0.000 0.765 1234 P CB 0.420 31.891 31.700 -0.381 0.000 0.823 1235 D N 2.646 122.956 120.400 -0.151 0.000 2.531 1235 D HA -0.050 4.590 4.640 0.000 0.000 0.239 1235 D C 0.675 176.900 176.300 -0.125 0.000 1.144 1235 D CA 1.127 55.054 54.000 -0.122 0.000 0.869 1235 D CB -0.505 40.239 40.800 -0.095 0.000 1.160 1235 D HN 0.384 nan 8.370 nan 0.000 0.484 1236 N N -0.065 118.571 118.700 -0.106 0.000 2.925 1236 N HA -0.212 4.528 4.740 0.000 0.000 0.244 1236 N C -0.510 174.944 175.510 -0.095 0.000 1.000 1236 N CA 0.516 53.511 53.050 -0.091 0.000 0.895 1236 N CB -1.150 37.286 38.487 -0.086 0.000 1.119 1236 N HN 0.464 nan 8.380 nan 0.000 0.569 1237 C N 1.665 120.897 119.300 -0.114 0.000 2.585 1237 C HA 0.370 4.830 4.460 0.000 0.000 0.406 1237 C C -1.768 173.189 174.990 -0.055 0.000 1.312 1237 C CA -1.585 57.376 59.018 -0.095 0.000 1.924 1237 C CB -0.238 27.434 27.740 -0.113 0.000 2.578 1237 C HN 0.173 nan 8.230 nan 0.000 0.580 1238 P HA 0.075 nan 4.420 nan 0.000 0.262 1238 P C 0.407 177.724 177.300 0.028 0.000 1.182 1238 P CA 0.495 63.589 63.100 -0.010 0.000 0.761 1238 P CB 0.517 32.209 31.700 -0.014 0.000 0.795 1239 D N 2.549 122.969 120.400 0.033 0.000 2.133 1239 D HA -0.189 4.451 4.640 0.000 0.000 0.195 1239 D C 1.608 177.959 176.300 0.086 0.000 0.997 1239 D CA 1.289 55.335 54.000 0.076 0.000 0.840 1239 D CB -0.342 40.489 40.800 0.051 0.000 0.947 1239 D HN 0.362 nan 8.370 nan 0.000 0.452 1240 M N 0.351 119.974 119.600 0.039 0.000 2.117 1240 M HA -0.153 4.327 4.480 0.000 0.000 0.262 1240 M C 1.951 178.256 176.300 0.008 0.000 1.065 1240 M CA 1.068 56.377 55.300 0.016 0.000 1.114 1240 M CB -0.308 32.292 32.600 -0.000 0.000 1.361 1240 M HN 0.015 nan 8.290 nan 0.000 0.408 1241 L N 0.299 121.534 121.223 0.020 0.000 2.093 1241 L HA -0.131 4.209 4.340 0.000 0.000 0.208 1241 L C 2.203 179.084 176.870 0.019 0.000 1.085 1241 L CA 1.635 56.477 54.840 0.002 0.000 0.755 1241 L CB -1.258 40.800 42.059 -0.002 0.000 0.904 1241 L HN 0.333 nan 8.230 nan 0.000 0.435 1242 F N 0.356 120.263 119.950 -0.072 0.000 2.146 1242 F HA -0.164 4.363 4.527 0.000 0.000 0.298 1242 F C 2.344 178.084 175.800 -0.099 0.000 1.096 1242 F CA 1.382 59.343 58.000 -0.065 0.000 1.275 1242 F CB -0.152 38.847 39.000 -0.001 0.000 1.008 1242 F HN 0.100 nan 8.300 nan 0.000 0.480 1243 E N 0.507 120.644 120.200 -0.105 0.000 2.160 1243 E HA -0.189 4.161 4.350 0.000 0.000 0.195 1243 E C 2.392 178.838 176.600 -0.256 0.000 0.991 1243 E CA 0.913 57.199 56.400 -0.190 0.000 0.810 1243 E CB -0.575 29.091 29.700 -0.056 0.000 0.742 1243 E HN 0.458 nan 8.360 nan 0.000 0.466 1244 L N -0.439 120.652 121.223 -0.219 0.000 2.027 1244 L HA -0.176 4.164 4.340 0.000 0.000 0.206 1244 L C 2.169 178.798 176.870 -0.402 0.000 1.074 1244 L CA 1.187 55.897 54.840 -0.215 0.000 0.745 1244 L CB -0.207 41.781 42.059 -0.119 0.000 0.898 1244 L HN 0.284 nan 8.230 nan 0.000 0.433 1245 M N -1.140 118.090 119.600 -0.617 0.000 2.117 1245 M HA -0.233 4.247 4.480 0.000 0.000 0.262 1245 M C 2.259 177.776 176.300 -1.305 0.000 1.065 1245 M CA 1.634 56.196 55.300 -1.230 0.000 1.114 1245 M CB -0.680 31.015 32.600 -1.509 0.000 1.361 1245 M HN 0.129 nan 8.290 nan 0.000 0.408 1246 R N 0.565 120.549 120.500 -0.861 0.000 2.103 1246 R HA -0.129 4.211 4.340 0.000 0.000 0.242 1246 R C 2.177 178.316 176.300 -0.267 0.000 1.142 1246 R CA 1.771 57.598 56.100 -0.454 0.000 0.960 1246 R CB -0.497 29.572 30.300 -0.385 0.000 0.858 1246 R HN 0.483 nan 8.270 nan 0.000 0.439 1247 M N -0.476 118.950 119.600 -0.291 0.000 2.156 1247 M HA -0.133 4.347 4.480 0.000 0.000 0.264 1247 M C 2.436 178.643 176.300 -0.156 0.000 1.067 1247 M CA 1.211 56.412 55.300 -0.165 0.000 1.131 1247 M CB -0.334 32.181 32.600 -0.142 0.000 1.368 1247 M HN 0.189 nan 8.290 nan 0.000 0.416 1248 C N -0.478 118.640 119.300 -0.303 0.000 2.422 1248 C HA -0.121 4.339 4.460 0.000 0.000 0.286 1248 C C 1.797 176.749 174.990 -0.063 0.000 1.412 1248 C CA 0.223 59.104 59.018 -0.228 0.000 1.786 1248 C CB -1.227 26.314 27.740 -0.332 0.000 1.835 1248 C HN 0.669 nan 8.230 nan 0.000 0.533 1249 W N -0.422 120.773 121.300 -0.175 0.000 3.239 1249 W HA 0.298 4.958 4.660 0.000 0.000 0.348 1249 W C 0.738 177.342 176.519 0.142 0.000 1.183 1249 W CA -0.560 56.661 57.345 -0.206 0.000 1.819 1249 W CB -1.062 28.121 29.460 -0.461 0.000 1.091 1249 W HN 0.219 nan 8.180 nan 0.000 0.629 1250 Q N 0.889 120.848 119.800 0.266 0.000 2.520 1250 Q HA -0.199 4.141 4.340 0.000 0.000 0.320 1250 Q C 1.089 177.266 176.000 0.295 0.000 1.104 1250 Q CA 0.467 56.401 55.803 0.218 0.000 1.062 1250 Q CB -0.485 28.314 28.738 0.102 0.000 1.005 1250 Q HN 0.406 nan 8.270 nan 0.000 0.390 1251 Y N 3.589 123.997 120.300 0.180 0.000 2.151 1251 Y HA -0.284 4.266 4.550 0.000 0.000 0.284 1251 Y C 0.670 176.594 175.900 0.041 0.000 1.166 1251 Y CA 1.711 59.883 58.100 0.121 0.000 1.163 1251 Y CB 0.286 38.772 38.460 0.042 0.000 0.974 1251 Y HN 0.611 nan 8.280 nan 0.000 0.511 1252 N N 0.445 119.262 118.700 0.194 0.000 2.444 1252 N HA 0.124 4.864 4.740 0.000 0.000 0.271 1252 N C -2.124 173.357 175.510 -0.048 0.000 1.069 1252 N CA -2.280 50.811 53.050 0.068 0.000 0.965 1252 N CB 1.439 39.982 38.487 0.093 0.000 1.092 1252 N HN -0.028 nan 8.380 nan 0.000 0.476 1253 P HA -0.098 nan 4.420 nan 0.000 0.216 1253 P C 0.583 177.574 177.300 -0.515 0.000 1.153 1253 P CA 1.425 64.407 63.100 -0.196 0.000 0.844 1253 P CB 0.198 31.834 31.700 -0.106 0.000 0.787 1254 K N -1.066 118.995 120.400 -0.565 0.000 2.442 1254 K HA -0.043 4.277 4.320 0.000 0.000 0.198 1254 K C 1.346 177.758 176.600 -0.312 0.000 1.044 1254 K CA 1.373 57.290 56.287 -0.616 0.000 0.948 1254 K CB -1.279 31.018 32.500 -0.338 0.000 0.762 1254 K HN 0.139 nan 8.250 nan 0.000 0.472 1255 M N 0.966 120.452 119.600 -0.190 0.000 2.431 1255 M HA 0.172 4.652 4.480 0.000 0.000 0.237 1255 M C -0.284 175.976 176.300 -0.066 0.000 1.130 1255 M CA 0.134 55.378 55.300 -0.092 0.000 1.002 1255 M CB -0.230 32.347 32.600 -0.038 0.000 1.524 1255 M HN 0.066 nan 8.290 nan 0.000 0.482 1256 R N 0.813 121.260 120.500 -0.089 0.000 2.500 1256 R HA 0.424 4.764 4.340 0.000 0.000 0.277 1256 R C -2.223 174.047 176.300 -0.050 0.000 1.026 1256 R CA -1.525 54.550 56.100 -0.042 0.000 1.058 1256 R CB 0.021 30.330 30.300 0.015 0.000 1.078 1256 R HN -0.022 nan 8.270 nan 0.000 0.509 1257 P HA 0.023 nan 4.420 nan 0.000 0.272 1257 P C -0.633 176.608 177.300 -0.098 0.000 1.240 1257 P CA -0.394 62.665 63.100 -0.069 0.000 0.791 1257 P CB 0.755 32.402 31.700 -0.090 0.000 0.978 1258 S N 0.021 115.686 115.700 -0.057 0.000 2.669 1258 S HA 0.294 4.764 4.470 0.000 0.000 0.270 1258 S C 0.827 175.346 174.600 -0.135 0.000 1.225 1258 S CA -0.343 57.814 58.200 -0.072 0.000 0.991 1258 S CB -0.001 63.233 63.200 0.055 0.000 0.987 1258 S HN 0.181 nan 8.310 nan 0.000 0.552 1259 F N 0.252 120.191 119.950 -0.018 0.000 2.171 1259 F HA 0.030 4.557 4.527 0.000 0.000 0.300 1259 F C 2.085 177.885 175.800 0.001 0.000 1.090 1259 F CA 0.970 58.913 58.000 -0.095 0.000 1.293 1259 F CB -0.780 38.169 39.000 -0.085 0.000 1.013 1259 F HN 0.452 nan 8.300 nan 0.000 0.486 1260 L N -0.497 120.888 121.223 0.271 0.000 2.083 1260 L HA -0.217 4.123 4.340 0.000 0.000 0.209 1260 L C 2.313 179.309 176.870 0.211 0.000 1.083 1260 L CA 1.435 56.456 54.840 0.302 0.000 0.752 1260 L CB -0.608 41.614 42.059 0.272 0.000 0.899 1260 L HN 0.170 nan 8.230 nan 0.000 0.433 1261 E N 0.211 120.477 120.200 0.110 0.000 2.047 1261 E HA -0.186 4.164 4.350 0.000 0.000 0.191 1261 E C 2.295 178.900 176.600 0.008 0.000 0.987 1261 E CA 1.073 57.506 56.400 0.056 0.000 0.799 1261 E CB 0.010 29.724 29.700 0.022 0.000 0.752 1261 E HN 0.441 nan 8.360 nan 0.000 0.449 1262 I N 0.944 121.501 120.570 -0.023 0.000 2.163 1262 I HA -0.300 3.870 4.170 0.000 0.000 0.243 1262 I C 2.393 178.471 176.117 -0.065 0.000 1.085 1262 I CA 1.190 62.461 61.300 -0.049 0.000 1.347 1262 I CB -0.488 37.453 38.000 -0.098 0.000 1.044 1262 I HN 0.139 nan 8.210 nan 0.000 0.408 1263 I N 0.616 121.138 120.570 -0.080 0.000 2.163 1263 I HA -0.337 3.833 4.170 0.000 0.000 0.243 1263 I C 2.850 178.757 176.117 -0.350 0.000 1.085 1263 I CA 1.805 62.967 61.300 -0.231 0.000 1.347 1263 I CB -0.435 37.390 38.000 -0.292 0.000 1.044 1263 I HN 0.263 nan 8.210 nan 0.000 0.408 1264 S N 0.394 115.947 115.700 -0.244 0.000 2.419 1264 S HA -0.183 4.287 4.470 0.000 0.000 0.233 1264 S C 2.053 176.614 174.600 -0.066 0.000 1.016 1264 S CA 1.717 59.844 58.200 -0.123 0.000 0.974 1264 S CB -0.409 62.852 63.200 0.101 0.000 0.786 1264 S HN 0.577 nan 8.310 nan 0.000 0.492 1265 S N 0.710 116.373 115.700 -0.062 0.000 2.593 1265 S HA 0.192 4.662 4.470 0.000 0.000 0.217 1265 S C 1.262 175.829 174.600 -0.054 0.000 0.966 1265 S CA 0.250 58.427 58.200 -0.039 0.000 0.914 1265 S CB -0.627 62.555 63.200 -0.030 0.000 0.776 1265 S HN 0.856 nan 8.310 nan 0.000 0.523 1266 I N -2.590 117.923 120.570 -0.094 0.000 4.541 1266 I HA 0.346 4.516 4.170 0.000 0.000 0.337 1266 I C 1.512 177.548 176.117 -0.136 0.000 1.338 1266 I CA -0.478 60.762 61.300 -0.100 0.000 1.244 1266 I CB 0.002 37.939 38.000 -0.104 0.000 1.417 1266 I HN 0.101 nan 8.210 nan 0.000 0.501 1267 K N 1.637 121.949 120.400 -0.147 0.000 2.152 1267 K HA -0.148 4.172 4.320 0.000 0.000 0.206 1267 K C 1.283 177.880 176.600 -0.005 0.000 1.048 1267 K CA 1.919 58.131 56.287 -0.124 0.000 0.933 1267 K CB -0.227 32.216 32.500 -0.095 0.000 0.721 1267 K HN 0.262 nan 8.250 nan 0.000 0.447 1268 E N 0.850 121.056 120.200 0.010 0.000 2.478 1268 E HA -0.075 4.275 4.350 0.000 0.000 0.198 1268 E C 0.672 177.272 176.600 0.001 0.000 1.046 1268 E CA 0.697 57.117 56.400 0.034 0.000 0.870 1268 E CB 0.263 29.982 29.700 0.032 0.000 0.818 1268 E HN 0.397 nan 8.360 nan 0.000 0.527 1269 E N -0.987 119.190 120.200 -0.039 0.000 2.548 1269 E HA 0.130 4.480 4.350 0.000 0.000 0.206 1269 E C -0.443 176.109 176.600 -0.082 0.000 1.005 1269 E CA -0.090 56.279 56.400 -0.050 0.000 0.951 1269 E CB 0.340 30.008 29.700 -0.054 0.000 1.035 1269 E HN 0.056 nan 8.360 nan 0.000 0.470 1270 M N 0.778 120.308 119.600 -0.117 0.000 2.291 1270 M HA 0.278 4.758 4.480 0.000 0.000 0.324 1270 M C 0.365 176.643 176.300 -0.037 0.000 1.148 1270 M CA -0.200 55.000 55.300 -0.166 0.000 1.104 1270 M CB 0.607 32.958 32.600 -0.415 0.000 1.483 1270 M HN -0.049 nan 8.290 nan 0.000 0.467 1271 E N 1.547 121.745 120.200 -0.003 0.000 2.404 1271 E HA 0.040 4.390 4.350 0.000 0.000 0.261 1271 E C -1.511 175.152 176.600 0.104 0.000 1.074 1271 E CA -1.352 55.078 56.400 0.049 0.000 0.917 1271 E CB 0.188 29.923 29.700 0.059 0.000 0.965 1271 E HN 0.376 nan 8.360 nan 0.000 0.433 1272 P HA -0.281 nan 4.420 nan 0.000 0.222 1272 P C 1.315 178.683 177.300 0.113 0.000 1.159 1272 P CA 1.828 64.977 63.100 0.082 0.000 0.920 1272 P CB -0.118 31.612 31.700 0.050 0.000 0.793 1273 G N -1.590 107.282 108.800 0.119 0.000 2.507 1273 G HA2 -0.327 3.633 3.960 0.000 0.000 0.221 1273 G HA3 -0.327 3.633 3.960 0.000 0.000 0.221 1273 G C 1.379 176.374 174.900 0.157 0.000 1.119 1273 G CA 0.567 45.731 45.100 0.107 0.000 0.751 1273 G HN 0.164 nan 8.290 nan 0.000 0.574 1274 F N 1.617 121.626 119.950 0.100 0.000 2.063 1274 F HA -0.234 4.293 4.527 0.000 0.000 0.298 1274 F C 2.737 178.680 175.800 0.238 0.000 1.105 1274 F CA 2.193 60.306 58.000 0.188 0.000 1.215 1274 F CB -0.371 38.755 39.000 0.210 0.000 0.972 1274 F HN 0.175 nan 8.300 nan 0.000 0.483 1275 R N 0.308 120.933 120.500 0.210 0.000 2.117 1275 R HA -0.214 4.126 4.340 0.000 0.000 0.243 1275 R C 2.075 178.353 176.300 -0.036 0.000 1.143 1275 R CA 2.187 58.285 56.100 -0.002 0.000 0.968 1275 R CB -0.356 29.750 30.300 -0.322 0.000 0.863 1275 R HN 0.445 nan 8.270 nan 0.000 0.444 1276 E N -0.675 119.493 120.200 -0.053 0.000 2.072 1276 E HA -0.139 4.211 4.350 0.000 0.000 0.190 1276 E C 1.856 178.383 176.600 -0.122 0.000 0.982 1276 E CA 1.636 57.988 56.400 -0.080 0.000 0.803 1276 E CB 0.100 29.754 29.700 -0.078 0.000 0.755 1276 E HN 0.421 nan 8.360 nan 0.000 0.453 1277 V N -0.950 118.849 119.914 -0.192 0.000 3.431 1277 V HA 0.105 4.225 4.120 0.000 0.000 0.253 1277 V C 0.980 176.920 176.094 -0.257 0.000 1.184 1277 V CA 0.089 62.194 62.300 -0.325 0.000 1.104 1277 V CB 0.058 31.450 31.823 -0.718 0.000 0.799 1277 V HN 0.131 nan 8.190 nan 0.000 0.462 1278 S N 0.015 115.552 115.700 -0.271 0.000 2.585 1278 S HA 0.248 4.718 4.470 0.000 0.000 0.273 1278 S C 0.668 175.239 174.600 -0.048 0.000 1.339 1278 S CA 0.211 58.256 58.200 -0.259 0.000 1.028 1278 S CB 0.671 63.215 63.200 -1.094 0.000 0.906 1278 S HN 0.515 nan 8.310 nan 0.000 0.528 1279 F N 2.276 122.213 119.950 -0.021 0.000 2.186 1279 F HA -0.027 4.500 4.527 0.000 0.000 0.299 1279 F C 1.889 177.714 175.800 0.043 0.000 1.090 1279 F CA 1.140 59.163 58.000 0.039 0.000 1.307 1279 F CB -0.757 38.327 39.000 0.141 0.000 1.019 1279 F HN 0.827 nan 8.300 nan 0.000 0.489 1280 Y N 0.097 120.234 120.300 -0.272 0.000 2.069 1280 Y HA -0.337 4.213 4.550 0.000 0.000 0.278 1280 Y C 1.438 177.048 175.900 -0.485 0.000 1.175 1280 Y CA 2.350 60.191 58.100 -0.431 0.000 1.134 1280 Y CB -0.848 37.425 38.460 -0.312 0.000 0.965 1280 Y HN 0.155 nan 8.280 nan 0.000 0.498 1281 Y N 0.318 120.546 120.300 -0.120 0.000 2.537 1281 Y HA 0.148 4.699 4.550 0.000 0.000 0.303 1281 Y C 0.869 176.663 175.900 -0.178 0.000 1.176 1281 Y CA -0.333 57.685 58.100 -0.138 0.000 1.273 1281 Y CB -0.119 38.320 38.460 -0.035 0.000 1.110 1281 Y HN 0.008 nan 8.280 nan 0.000 0.518 1282 S N -1.209 114.405 115.700 -0.145 0.000 2.722 1282 S HA 0.192 4.662 4.470 0.000 0.000 0.292 1282 S C 1.056 175.585 174.600 -0.119 0.000 1.135 1282 S CA -0.842 57.298 58.200 -0.101 0.000 1.003 1282 S CB 1.496 64.657 63.200 -0.065 0.000 1.067 1282 S HN 0.241 nan 8.310 nan 0.000 0.546 1283 E N 1.508 121.680 120.200 -0.047 0.000 2.077 1283 E HA -0.179 4.171 4.350 0.000 0.000 0.193 1283 E C 1.787 178.373 176.600 -0.024 0.000 0.989 1283 E CA 1.604 57.985 56.400 -0.031 0.000 0.800 1283 E CB -0.570 29.129 29.700 -0.001 0.000 0.746 1283 E HN 0.860 nan 8.360 nan 0.000 0.452 1284 E N 1.292 121.510 120.200 0.029 0.000 2.114 1284 E HA -0.183 4.167 4.350 0.000 0.000 0.199 1284 E C 1.338 177.955 176.600 0.029 0.000 1.008 1284 E CA 0.700 57.166 56.400 0.110 0.000 0.810 1284 E CB -0.233 29.661 29.700 0.324 0.000 0.739 1284 E HN 0.067 nan 8.360 nan 0.000 0.456 1285 N N 0.000 118.575 118.700 -0.209 0.000 1.763 1285 N HA 0.000 4.740 4.740 0.000 0.000 0.220 1285 N CA 0.000 52.837 53.050 -0.356 0.000 0.885 1285 N CB 0.000 37.985 38.487 -0.837 0.000 1.341 1285 N HN 0.000 nan 8.380 nan 0.000 0.667