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 2zm3_1_A DATA FIRST_RESID 980 DATA SEQUENCE SFSAADVYVP DEWEVAREKI TMSRELGQGS FGMVYEGVAK GVVKDEPETR DATA SEQUENCE VAIKTVNEAA SMRERIEFLN EASVMKEFNC HHVVRLLGVV SQGQPTLVIM DATA SEQUENCE ELMTRGDLKS YLRSLRPEXX XNPVLAPPSL 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 0.000 174.672 174.600 0.120 0.000 1.055 980 S CA 0.000 58.253 58.200 0.089 0.000 1.107 980 S CB 0.000 63.251 63.200 0.084 0.000 0.593 981 F N 2.783 122.742 119.950 0.015 0.000 2.410 981 F HA 0.704 5.231 4.527 0.000 0.000 0.348 981 F C 0.448 176.265 175.800 0.028 0.000 1.106 981 F CA 1.034 59.046 58.000 0.021 0.000 1.163 981 F CB 1.022 40.033 39.000 0.019 0.000 1.129 981 F HN 1.064 nan 8.300 nan 0.000 0.516 982 S N 3.840 119.205 115.700 -0.558 0.000 2.752 982 S HA 0.657 5.127 4.470 0.000 0.000 0.284 982 S C 0.424 174.783 174.600 -0.401 0.000 1.189 982 S CA -0.383 57.625 58.200 -0.321 0.000 0.835 982 S CB 0.781 63.901 63.200 -0.132 0.000 1.192 982 S HN 0.931 nan 8.310 nan 0.000 0.506 983 A N 0.631 123.366 122.820 -0.141 0.000 1.978 983 A HA 0.203 4.523 4.320 0.000 0.000 0.220 983 A C 2.244 179.845 177.584 0.028 0.000 1.170 983 A CA 2.193 54.232 52.037 0.004 0.000 0.636 983 A CB -1.645 17.314 19.000 -0.070 0.000 0.810 983 A HN 1.594 nan 8.150 nan 0.000 0.448 984 A N -0.487 122.292 122.820 -0.067 0.000 2.067 984 A HA -0.112 4.209 4.320 0.000 0.000 0.219 984 A C 1.596 179.139 177.584 -0.068 0.000 1.158 984 A CA 1.472 53.489 52.037 -0.034 0.000 0.661 984 A CB -0.358 18.625 19.000 -0.028 0.000 0.801 984 A HN 0.493 nan 8.150 nan 0.000 0.452 985 D N -0.760 119.520 120.400 -0.199 0.000 2.317 985 D HA 0.000 4.640 4.640 0.000 0.000 0.211 985 D C 1.585 177.812 176.300 -0.121 0.000 0.966 985 D CA 1.052 54.926 54.000 -0.211 0.000 0.876 985 D CB 0.409 40.927 40.800 -0.471 0.000 0.927 985 D HN 0.323 nan 8.370 nan 0.000 0.519 986 V N -0.735 119.119 119.914 -0.101 0.000 3.013 986 V HA -0.026 4.094 4.120 0.000 0.000 0.238 986 V C 1.286 177.279 176.094 -0.168 0.000 1.161 986 V CA 0.254 62.482 62.300 -0.119 0.000 1.170 986 V CB -0.129 31.588 31.823 -0.177 0.000 0.917 986 V HN 0.045 nan 8.190 nan 0.000 0.478 987 Y N 0.938 121.198 120.300 -0.067 0.000 2.482 987 Y HA 0.324 4.874 4.550 0.000 0.000 0.270 987 Y C 0.686 176.536 175.900 -0.084 0.000 1.152 987 Y CA 0.084 58.143 58.100 -0.069 0.000 1.292 987 Y CB 0.678 39.089 38.460 -0.081 0.000 1.070 987 Y HN 0.196 nan 8.280 nan 0.000 0.528 988 V N -2.264 117.678 119.914 0.047 0.000 2.588 988 V HA 0.602 4.722 4.120 0.000 0.000 0.304 988 V C -2.914 173.212 176.094 0.053 0.000 1.042 988 V CA -3.214 59.089 62.300 0.005 0.000 0.877 988 V CB 1.559 33.366 31.823 -0.027 0.000 0.996 988 V HN -0.221 nan 8.190 nan 0.000 0.425 989 P HA 0.247 nan 4.420 nan 0.000 0.266 989 P C -0.066 177.333 177.300 0.166 0.000 1.195 989 P CA 0.102 63.299 63.100 0.163 0.000 0.768 989 P CB 0.563 32.440 31.700 0.295 0.000 0.838 990 D N 1.045 121.498 120.400 0.088 0.000 2.378 990 D HA -0.094 4.546 4.640 0.000 0.000 0.222 990 D C 0.944 177.268 176.300 0.040 0.000 0.980 990 D CA 0.990 55.026 54.000 0.060 0.000 0.907 990 D CB -0.029 40.791 40.800 0.032 0.000 0.899 990 D HN 0.553 nan 8.370 nan 0.000 0.527 991 E N -1.476 118.732 120.200 0.015 0.000 2.479 991 E HA 0.002 4.352 4.350 0.000 0.000 0.193 991 E C 0.840 177.306 176.600 -0.223 0.000 1.049 991 E CA -0.113 56.221 56.400 -0.111 0.000 0.870 991 E CB 0.141 29.739 29.700 -0.171 0.000 0.944 991 E HN 0.404 nan 8.360 nan 0.000 0.492 992 W N 1.333 122.614 121.300 -0.031 0.000 3.211 992 W HA 0.112 4.772 4.660 0.000 0.000 0.292 992 W C 0.839 177.340 176.519 -0.030 0.000 1.268 992 W CA -0.536 56.787 57.345 -0.036 0.000 1.702 992 W CB 0.543 29.972 29.460 -0.051 0.000 1.092 992 W HN -0.077 nan 8.180 nan 0.000 0.643 993 E N 1.465 121.755 120.200 0.150 0.000 2.413 993 E HA 0.190 4.541 4.350 0.000 0.000 0.263 993 E C -0.524 176.112 176.600 0.060 0.000 1.015 993 E CA 0.120 56.575 56.400 0.092 0.000 0.916 993 E CB 0.914 30.648 29.700 0.057 0.000 0.947 993 E HN -0.102 nan 8.360 nan 0.000 0.440 994 V N 2.829 122.776 119.914 0.054 0.000 2.760 994 V HA 0.794 4.915 4.120 0.000 0.000 0.309 994 V C -0.610 175.500 176.094 0.027 0.000 1.077 994 V CA -0.264 62.057 62.300 0.036 0.000 0.910 994 V CB 1.573 33.421 31.823 0.042 0.000 1.008 994 V HN 0.932 nan 8.190 nan 0.000 0.424 995 A N 5.033 127.864 122.820 0.017 0.000 2.511 995 A HA 0.352 4.672 4.320 0.000 0.000 0.242 995 A C 1.192 178.783 177.584 0.011 0.000 1.069 995 A CA 0.557 52.601 52.037 0.012 0.000 0.763 995 A CB -0.006 18.998 19.000 0.007 0.000 1.001 995 A HN 1.147 nan 8.150 nan 0.000 0.498 996 R N 0.984 121.489 120.500 0.008 0.000 2.127 996 R HA -0.148 4.193 4.340 0.000 0.000 0.238 996 R C 1.236 177.536 176.300 -0.001 0.000 1.134 996 R CA 2.052 58.154 56.100 0.004 0.000 0.975 996 R CB -0.052 30.247 30.300 -0.001 0.000 0.865 996 R HN 0.909 nan 8.270 nan 0.000 0.447 997 E N -0.366 119.834 120.200 -0.001 0.000 2.511 997 E HA -0.060 4.290 4.350 0.000 0.000 0.196 997 E C 0.746 177.345 176.600 -0.001 0.000 1.066 997 E CA 0.392 56.791 56.400 -0.003 0.000 0.871 997 E CB 0.372 30.070 29.700 -0.003 0.000 0.863 997 E HN 0.247 nan 8.360 nan 0.000 0.520 998 K N 0.336 120.738 120.400 0.002 0.000 2.387 998 K HA 0.129 4.449 4.320 0.000 0.000 0.198 998 K C -0.143 176.460 176.600 0.006 0.000 1.022 998 K CA 0.142 56.431 56.287 0.004 0.000 1.128 998 K CB 0.823 33.328 32.500 0.007 0.000 0.853 998 K HN 0.000 nan 8.250 nan 0.000 0.523 999 I N 0.674 121.245 120.570 0.003 0.000 2.436 999 I HA 0.165 4.335 4.170 0.000 0.000 0.289 999 I C -0.229 175.882 176.117 -0.009 0.000 1.010 999 I CA -0.404 60.898 61.300 0.002 0.000 1.098 999 I CB 1.721 39.724 38.000 0.005 0.000 1.266 999 I HN -0.233 nan 8.210 nan 0.000 0.434 1000 T N 7.377 121.926 114.554 -0.008 0.000 2.848 1000 T HA 0.651 5.001 4.350 0.000 0.000 0.285 1000 T C -0.521 174.166 174.700 -0.020 0.000 0.995 1000 T CA -0.441 61.648 62.100 -0.018 0.000 0.970 1000 T CB 0.944 69.806 68.868 -0.010 0.000 0.976 1000 T HN 0.440 nan 8.240 nan 0.000 0.441 1001 M N 3.285 122.855 119.600 -0.050 0.000 2.363 1001 M HA 0.404 4.884 4.480 0.000 0.000 0.343 1001 M C 0.951 177.234 176.300 -0.027 0.000 1.165 1001 M CA -0.487 54.776 55.300 -0.061 0.000 1.046 1001 M CB 1.914 34.389 32.600 -0.208 0.000 1.648 1001 M HN 0.687 nan 8.290 nan 0.000 0.452 1002 S N 2.027 117.746 115.700 0.030 0.000 2.741 1002 S HA 0.334 4.804 4.470 0.000 0.000 0.245 1002 S C -0.103 174.545 174.600 0.080 0.000 1.083 1002 S CA -0.151 58.075 58.200 0.044 0.000 0.873 1002 S CB 0.541 63.767 63.200 0.043 0.000 0.814 1002 S HN 0.809 nan 8.310 nan 0.000 0.476 1003 R N 0.194 120.784 120.500 0.149 0.000 2.765 1003 R HA 0.403 4.743 4.340 0.000 0.000 0.277 1003 R C -1.880 174.552 176.300 0.221 0.000 1.028 1003 R CA -0.907 55.292 56.100 0.165 0.000 0.860 1003 R CB 0.304 30.656 30.300 0.086 0.000 1.270 1003 R HN 0.057 nan 8.270 nan 0.000 0.484 1004 E N 1.052 121.323 120.200 0.118 0.000 2.338 1004 E HA 0.144 4.494 4.350 0.000 0.000 0.272 1004 E C 0.004 176.561 176.600 -0.073 0.000 1.029 1004 E CA -0.210 56.138 56.400 -0.086 0.000 0.872 1004 E CB 1.134 30.762 29.700 -0.121 0.000 1.015 1004 E HN 0.436 nan 8.360 nan 0.000 0.417 1005 L N 1.477 122.624 121.223 -0.126 0.000 2.425 1005 L HA 0.299 4.639 4.340 0.000 0.000 0.215 1005 L C 0.920 177.744 176.870 -0.076 0.000 1.065 1005 L CA 0.265 55.066 54.840 -0.065 0.000 0.842 1005 L CB 0.455 42.492 42.059 -0.036 0.000 1.033 1005 L HN 0.722 nan 8.230 nan 0.000 0.474 1006 G N -0.368 108.357 108.800 -0.125 0.000 2.339 1006 G HA2 0.118 4.078 3.960 0.000 0.000 0.302 1006 G HA3 0.118 4.078 3.960 0.000 0.000 0.302 1006 G C -1.889 172.941 174.900 -0.118 0.000 1.425 1006 G CA -0.727 44.315 45.100 -0.098 0.000 0.899 1006 G HN -0.145 nan 8.290 nan 0.000 0.619 1007 Q N 0.192 119.939 119.800 -0.088 0.000 2.296 1007 Q HA 0.581 4.922 4.340 0.000 0.000 0.262 1007 Q C 0.742 176.707 176.000 -0.058 0.000 0.981 1007 Q CA 0.809 56.564 55.803 -0.080 0.000 0.905 1007 Q CB 0.865 29.563 28.738 -0.067 0.000 1.186 1007 Q HN 1.079 nan 8.270 nan 0.000 0.399 1008 G N 1.204 109.980 108.800 -0.039 0.000 2.537 1008 G HA2 0.295 4.256 3.960 0.000 0.000 0.297 1008 G HA3 0.295 4.256 3.960 0.000 0.000 0.297 1008 G C 0.306 175.170 174.900 -0.060 0.000 1.310 1008 G CA -0.156 44.941 45.100 -0.005 0.000 1.027 1008 G HN 0.785 nan 8.290 nan 0.000 0.505 1009 S N -1.516 114.112 115.700 -0.120 0.000 2.561 1009 S HA 0.102 4.572 4.470 0.000 0.000 0.225 1009 S C 0.994 175.197 174.600 -0.661 0.000 0.977 1009 S CA 0.548 58.502 58.200 -0.409 0.000 0.926 1009 S CB -0.192 62.672 63.200 -0.560 0.000 0.769 1009 S HN 0.403 nan 8.310 nan 0.000 0.533 1010 F N 0.848 120.813 119.950 0.024 0.000 2.831 1010 F HA 0.562 5.090 4.527 0.000 0.000 0.334 1010 F C 1.243 176.979 175.800 -0.106 0.000 1.071 1010 F CA -0.077 57.904 58.000 -0.032 0.000 1.172 1010 F CB 1.043 40.039 39.000 -0.007 0.000 1.054 1010 F HN 0.440 nan 8.300 nan 0.000 0.572 1011 G N 0.045 108.880 108.800 0.059 0.000 2.321 1011 G HA2 0.366 4.326 3.960 0.000 0.000 0.296 1011 G HA3 0.366 4.326 3.960 0.000 0.000 0.296 1011 G C -1.769 173.120 174.900 -0.018 0.000 1.287 1011 G CA -1.077 44.023 45.100 0.000 0.000 0.846 1011 G HN -0.127 nan 8.290 nan 0.000 0.508 1012 M N 0.650 120.221 119.600 -0.049 0.000 2.238 1012 M HA 0.564 5.044 4.480 0.000 0.000 0.347 1012 M C -0.123 176.024 176.300 -0.256 0.000 1.173 1012 M CA -0.073 55.103 55.300 -0.206 0.000 1.147 1012 M CB 1.099 33.495 32.600 -0.340 0.000 1.547 1012 M HN 0.395 nan 8.290 nan 0.000 0.455 1013 V N 6.057 125.779 119.914 -0.319 0.000 2.547 1013 V HA 0.473 4.594 4.120 0.000 0.000 0.299 1013 V C -0.911 174.951 176.094 -0.387 0.000 1.040 1013 V CA -0.559 61.626 62.300 -0.191 0.000 0.913 1013 V CB 1.111 32.903 31.823 -0.053 0.000 0.992 1013 V HN 0.801 nan 8.190 nan 0.000 0.449 1014 Y N 0.887 121.206 120.300 0.031 0.000 2.598 1014 Y HA 0.540 5.090 4.550 0.000 0.000 0.340 1014 Y C 0.241 176.154 175.900 0.022 0.000 1.038 1014 Y CA -0.893 57.220 58.100 0.022 0.000 1.100 1014 Y CB 1.550 40.021 38.460 0.018 0.000 1.281 1014 Y HN 0.608 nan 8.280 nan 0.000 0.488 1015 E N 0.307 120.621 120.200 0.190 0.000 2.248 1015 E HA 0.675 5.025 4.350 0.000 0.000 0.272 1015 E C -0.587 176.075 176.600 0.103 0.000 1.008 1015 E CA -0.481 55.986 56.400 0.111 0.000 0.856 1015 E CB 1.381 31.123 29.700 0.072 0.000 1.120 1015 E HN 0.872 nan 8.360 nan 0.000 0.397 1016 G N 0.741 109.581 108.800 0.068 0.000 2.600 1016 G HA2 0.450 4.410 3.960 0.000 0.000 0.293 1016 G HA3 0.450 4.410 3.960 0.000 0.000 0.293 1016 G C -1.625 173.294 174.900 0.032 0.000 1.408 1016 G CA -0.535 44.593 45.100 0.046 0.000 0.782 1016 G HN 0.427 nan 8.290 nan 0.000 0.482 1017 V N 0.162 120.089 119.914 0.022 0.000 2.540 1017 V HA 0.756 4.876 4.120 0.000 0.000 0.302 1017 V C 0.182 176.285 176.094 0.016 0.000 1.035 1017 V CA -0.523 61.788 62.300 0.017 0.000 0.873 1017 V CB 1.421 33.251 31.823 0.012 0.000 0.992 1017 V HN 1.341 nan 8.190 nan 0.000 0.428 1018 A N 4.517 127.347 122.820 0.017 0.000 2.273 1018 A HA 0.633 4.954 4.320 0.000 0.000 0.315 1018 A C -0.099 177.492 177.584 0.012 0.000 1.256 1018 A CA -0.712 51.335 52.037 0.017 0.000 0.851 1018 A CB 0.480 19.494 19.000 0.023 0.000 1.172 1018 A HN 0.798 nan 8.150 nan 0.000 0.508 1019 K N 1.981 122.387 120.400 0.009 0.000 2.219 1019 K HA 0.451 4.771 4.320 0.000 0.000 0.280 1019 K C 0.443 177.046 176.600 0.005 0.000 1.104 1019 K CA 0.452 56.743 56.287 0.006 0.000 0.925 1019 K CB 0.677 33.179 32.500 0.004 0.000 1.261 1019 K HN 1.413 nan 8.250 nan 0.000 0.445 1020 G N 1.656 110.459 108.800 0.005 0.000 2.742 1020 G HA2 -0.175 3.785 3.960 0.000 0.000 0.257 1020 G HA3 -0.175 3.785 3.960 0.000 0.000 0.257 1020 G C 0.184 175.085 174.900 0.002 0.000 1.143 1020 G CA -0.036 45.064 45.100 0.001 0.000 1.064 1020 G HN 0.566 nan 8.290 nan 0.000 0.529 1021 V N -3.685 116.232 119.914 0.006 0.000 3.359 1021 V HA 0.591 4.712 4.120 0.000 0.000 0.270 1021 V C 0.749 176.849 176.094 0.010 0.000 1.583 1021 V CA 0.664 62.970 62.300 0.011 0.000 1.019 1021 V CB 0.530 32.367 31.823 0.024 0.000 0.831 1021 V HN 0.738 nan 8.190 nan 0.000 0.426 1022 V N 1.520 121.438 119.914 0.008 0.000 2.769 1022 V HA 0.445 4.565 4.120 0.000 0.000 0.312 1022 V C 0.070 176.164 176.094 0.000 0.000 1.058 1022 V CA -0.961 61.344 62.300 0.008 0.000 0.952 1022 V CB 1.921 33.752 31.823 0.012 0.000 1.019 1022 V HN 0.331 nan 8.190 nan 0.000 0.445 1023 K N 2.844 123.243 120.400 -0.002 0.000 2.402 1023 K HA 0.150 4.470 4.320 0.000 0.000 0.285 1023 K C -0.140 176.458 176.600 -0.003 0.000 1.054 1023 K CA 0.230 56.514 56.287 -0.006 0.000 1.001 1023 K CB 0.034 32.529 32.500 -0.008 0.000 0.946 1023 K HN 0.741 nan 8.250 nan 0.000 0.473 1024 D N 1.157 121.554 120.400 -0.005 0.000 2.946 1024 D HA -0.167 4.473 4.640 0.000 0.000 0.202 1024 D C -0.538 175.761 176.300 -0.001 0.000 1.068 1024 D CA 1.316 55.314 54.000 -0.004 0.000 1.011 1024 D CB -0.638 40.160 40.800 -0.003 0.000 1.105 1024 D HN 0.646 nan 8.370 nan 0.000 0.425 1025 E N -0.033 120.167 120.200 0.000 0.000 2.134 1025 E HA 0.251 4.601 4.350 0.000 0.000 0.278 1025 E C -1.674 174.927 176.600 0.002 0.000 0.959 1025 E CA -1.737 54.665 56.400 0.003 0.000 0.783 1025 E CB 1.649 31.353 29.700 0.006 0.000 1.095 1025 E HN -0.074 nan 8.360 nan 0.000 0.399 1026 P HA -0.115 nan 4.420 nan 0.000 0.216 1026 P C -0.520 176.782 177.300 0.003 0.000 1.153 1026 P CA 1.218 64.319 63.100 0.002 0.000 0.848 1026 P CB 0.407 32.108 31.700 0.002 0.000 0.787 1027 E N -2.073 118.130 120.200 0.005 0.000 2.367 1027 E HA 0.512 4.862 4.350 0.000 0.000 0.273 1027 E C -1.029 175.576 176.600 0.009 0.000 0.903 1027 E CA -0.643 55.761 56.400 0.007 0.000 0.764 1027 E CB 2.179 31.883 29.700 0.007 0.000 1.252 1027 E HN -0.247 nan 8.360 nan 0.000 0.446 1028 T N 1.253 115.814 114.554 0.011 0.000 2.971 1028 T HA 0.368 4.718 4.350 0.000 0.000 0.304 1028 T C -0.539 174.170 174.700 0.014 0.000 1.038 1028 T CA -0.912 61.196 62.100 0.012 0.000 1.007 1028 T CB 1.131 70.007 68.868 0.015 0.000 1.055 1028 T HN 0.260 nan 8.240 nan 0.000 0.451 1029 R N 1.561 122.068 120.500 0.012 0.000 2.491 1029 R HA 0.563 4.904 4.340 0.000 0.000 0.283 1029 R C 0.187 176.498 176.300 0.019 0.000 1.072 1029 R CA -0.477 55.632 56.100 0.015 0.000 1.048 1029 R CB 0.480 30.785 30.300 0.009 0.000 0.983 1029 R HN 0.555 nan 8.270 nan 0.000 0.450 1030 V N -1.361 118.569 119.914 0.028 0.000 3.160 1030 V HA 0.880 5.000 4.120 0.000 0.000 0.310 1030 V C -0.758 175.365 176.094 0.048 0.000 1.181 1030 V CA -1.288 61.033 62.300 0.036 0.000 1.047 1030 V CB 2.054 33.901 31.823 0.041 0.000 1.068 1030 V HN 0.799 nan 8.190 nan 0.000 0.441 1031 A N 2.652 125.504 122.820 0.054 0.000 2.317 1031 A HA 0.871 5.191 4.320 0.000 0.000 0.327 1031 A C -0.540 177.102 177.584 0.097 0.000 1.178 1031 A CA -0.670 51.410 52.037 0.072 0.000 0.817 1031 A CB 0.634 19.668 19.000 0.057 0.000 1.189 1031 A HN 0.812 nan 8.150 nan 0.000 0.489 1032 I N 2.561 123.214 120.570 0.139 0.000 2.355 1032 I HA 0.284 4.454 4.170 0.000 0.000 0.288 1032 I C -0.175 176.073 176.117 0.220 0.000 0.999 1032 I CA -0.313 61.089 61.300 0.171 0.000 1.163 1032 I CB 1.339 39.446 38.000 0.180 0.000 1.316 1032 I HN 0.664 nan 8.210 nan 0.000 0.454 1033 K N 4.617 125.150 120.400 0.222 0.000 2.156 1033 K HA 0.555 4.876 4.320 0.000 0.000 0.271 1033 K C 0.122 176.872 176.600 0.250 0.000 0.995 1033 K CA -0.525 55.925 56.287 0.271 0.000 0.890 1033 K CB 2.021 34.747 32.500 0.378 0.000 1.073 1033 K HN 0.691 nan 8.250 nan 0.000 0.454 1034 T N -1.885 112.738 114.554 0.114 0.000 2.908 1034 T HA 0.556 4.906 4.350 0.000 0.000 0.290 1034 T C -0.499 173.994 174.700 -0.345 0.000 1.034 1034 T CA -0.816 61.260 62.100 -0.041 0.000 1.010 1034 T CB 1.453 70.380 68.868 0.098 0.000 1.068 1034 T HN 0.180 nan 8.240 nan 0.000 0.481 1035 V N 3.211 122.852 119.914 -0.455 0.000 2.482 1035 V HA 0.404 4.524 4.120 0.000 0.000 0.295 1035 V C -0.430 175.534 176.094 -0.217 0.000 1.026 1035 V CA -1.108 60.922 62.300 -0.450 0.000 0.856 1035 V CB 1.681 33.041 31.823 -0.773 0.000 1.001 1035 V HN 0.922 nan 8.190 nan 0.000 0.424 1036 N N 2.774 121.397 118.700 -0.128 0.000 2.444 1036 N HA 0.076 4.816 4.740 0.000 0.000 0.255 1036 N C 1.211 176.681 175.510 -0.066 0.000 1.255 1036 N CA -0.096 52.910 53.050 -0.073 0.000 0.933 1036 N CB 1.119 39.581 38.487 -0.040 0.000 1.143 1036 N HN 0.831 nan 8.380 nan 0.000 0.453 1037 E N 0.902 121.075 120.200 -0.045 0.000 2.130 1037 E HA -0.167 4.183 4.350 0.000 0.000 0.196 1037 E C 0.236 176.820 176.600 -0.026 0.000 0.998 1037 E CA 0.928 57.308 56.400 -0.033 0.000 0.806 1037 E CB 0.055 29.742 29.700 -0.020 0.000 0.738 1037 E HN 0.630 nan 8.360 nan 0.000 0.459 1038 A N 0.460 123.266 122.820 -0.024 0.000 3.197 1038 A HA 0.534 4.854 4.320 0.000 0.000 0.263 1038 A C -0.167 177.404 177.584 -0.020 0.000 1.524 1038 A CA 0.345 52.372 52.037 -0.017 0.000 1.176 1038 A CB -0.139 18.855 19.000 -0.011 0.000 1.096 1038 A HN 0.243 nan 8.150 nan 0.000 0.655 1039 A N 0.478 123.281 122.820 -0.029 0.000 2.386 1039 A HA 0.688 5.008 4.320 0.000 0.000 0.311 1039 A C 0.444 178.015 177.584 -0.022 0.000 1.068 1039 A CA -0.019 52.002 52.037 -0.028 0.000 0.743 1039 A CB 0.664 19.633 19.000 -0.051 0.000 1.258 1039 A HN 1.249 nan 8.150 nan 0.000 0.429 1040 S N 2.365 118.060 115.700 -0.008 0.000 2.563 1040 S HA 0.063 4.533 4.470 0.000 0.000 0.284 1040 S C 1.204 175.794 174.600 -0.018 0.000 1.331 1040 S CA 0.483 58.680 58.200 -0.005 0.000 1.047 1040 S CB 0.084 63.286 63.200 0.004 0.000 0.859 1040 S HN 0.992 nan 8.310 nan 0.000 0.514 1041 M N 1.138 120.728 119.600 -0.017 0.000 2.202 1041 M HA -0.143 4.337 4.480 0.000 0.000 0.262 1041 M C 2.226 178.491 176.300 -0.058 0.000 1.063 1041 M CA 1.811 57.091 55.300 -0.034 0.000 1.097 1041 M CB -0.238 32.357 32.600 -0.008 0.000 1.382 1041 M HN 0.830 nan 8.290 nan 0.000 0.413 1042 R N 0.862 121.343 120.500 -0.031 0.000 2.073 1042 R HA -0.129 4.211 4.340 0.000 0.000 0.234 1042 R C 1.790 178.075 176.300 -0.025 0.000 1.134 1042 R CA 2.002 58.084 56.100 -0.031 0.000 0.952 1042 R CB -0.659 29.640 30.300 -0.001 0.000 0.850 1042 R HN 0.418 nan 8.270 nan 0.000 0.433 1043 E N 0.047 120.256 120.200 0.014 0.000 2.152 1043 E HA -0.138 4.212 4.350 0.000 0.000 0.192 1043 E C 1.978 178.570 176.600 -0.014 0.000 0.983 1043 E CA 0.826 57.278 56.400 0.087 0.000 0.818 1043 E CB -0.258 29.533 29.700 0.152 0.000 0.758 1043 E HN 0.379 nan 8.360 nan 0.000 0.467 1044 R N 0.753 121.208 120.500 -0.074 0.000 2.075 1044 R HA -0.046 4.294 4.340 0.000 0.000 0.232 1044 R C 2.380 178.578 176.300 -0.170 0.000 1.126 1044 R CA 0.937 56.968 56.100 -0.116 0.000 0.963 1044 R CB -0.231 30.004 30.300 -0.108 0.000 0.858 1044 R HN 0.095 nan 8.270 nan 0.000 0.435 1045 I N 0.770 121.182 120.570 -0.263 0.000 2.226 1045 I HA -0.245 3.925 4.170 0.000 0.000 0.245 1045 I C 2.376 178.287 176.117 -0.343 0.000 1.100 1045 I CA 1.507 62.516 61.300 -0.484 0.000 1.374 1045 I CB -0.261 37.398 38.000 -0.569 0.000 1.057 1045 I HN 0.313 nan 8.210 nan 0.000 0.413 1046 E N 1.079 121.155 120.200 -0.206 0.000 2.077 1046 E HA -0.273 4.077 4.350 0.000 0.000 0.193 1046 E C 2.041 178.429 176.600 -0.354 0.000 0.989 1046 E CA 1.409 57.722 56.400 -0.144 0.000 0.800 1046 E CB -0.349 29.398 29.700 0.078 0.000 0.746 1046 E HN 0.371 nan 8.360 nan 0.000 0.452 1047 F N 0.263 119.714 119.950 -0.831 0.000 2.065 1047 F HA -0.216 4.311 4.527 0.000 0.000 0.298 1047 F C 1.672 177.145 175.800 -0.545 0.000 1.112 1047 F CA 1.300 58.632 58.000 -1.113 0.000 1.212 1047 F CB -0.357 38.083 39.000 -0.934 0.000 0.975 1047 F HN 0.115 nan 8.300 nan 0.000 0.476 1048 L N 0.694 121.688 121.223 -0.382 0.000 2.056 1048 L HA -0.202 4.138 4.340 0.000 0.000 0.207 1048 L C 2.206 178.882 176.870 -0.324 0.000 1.078 1048 L CA 1.450 56.078 54.840 -0.354 0.000 0.749 1048 L CB -1.729 40.225 42.059 -0.175 0.000 0.901 1048 L HN 0.169 nan 8.230 nan 0.000 0.433 1049 N N -0.222 118.321 118.700 -0.263 0.000 2.166 1049 N HA -0.225 4.515 4.740 0.000 0.000 0.186 1049 N C 1.843 177.218 175.510 -0.225 0.000 1.019 1049 N CA 1.190 54.130 53.050 -0.184 0.000 0.856 1049 N CB -0.080 38.336 38.487 -0.119 0.000 0.993 1049 N HN 0.497 nan 8.380 nan 0.000 0.426 1050 E N 0.410 120.453 120.200 -0.261 0.000 2.153 1050 E HA -0.064 4.286 4.350 0.000 0.000 0.194 1050 E C 1.689 178.098 176.600 -0.319 0.000 0.988 1050 E CA 0.978 57.245 56.400 -0.221 0.000 0.811 1050 E CB 0.010 29.628 29.700 -0.136 0.000 0.746 1050 E HN 0.330 nan 8.360 nan 0.000 0.466 1051 A N 0.201 122.752 122.820 -0.449 0.000 1.929 1051 A HA -0.077 4.243 4.320 0.000 0.000 0.216 1051 A C 2.355 179.634 177.584 -0.508 0.000 1.176 1051 A CA 1.342 53.084 52.037 -0.491 0.000 0.628 1051 A CB -0.467 18.188 19.000 -0.574 0.000 0.816 1051 A HN 0.259 nan 8.150 nan 0.000 0.444 1052 S N -0.330 115.106 115.700 -0.440 0.000 2.383 1052 S HA -0.142 4.328 4.470 0.000 0.000 0.229 1052 S C 1.913 176.230 174.600 -0.471 0.000 1.030 1052 S CA 1.514 59.451 58.200 -0.439 0.000 1.002 1052 S CB -0.401 62.635 63.200 -0.273 0.000 0.829 1052 S HN 0.365 nan 8.310 nan 0.000 0.467 1053 V N 1.884 121.536 119.914 -0.437 0.000 2.295 1053 V HA -0.186 3.934 4.120 0.000 0.000 0.246 1053 V C 2.198 177.689 176.094 -1.004 0.000 1.049 1053 V CA 1.742 63.706 62.300 -0.561 0.000 1.024 1053 V CB -0.599 30.991 31.823 -0.389 0.000 0.648 1053 V HN 0.493 nan 8.190 nan 0.000 0.447 1054 M N -0.800 118.301 119.600 -0.832 0.000 2.296 1054 M HA -0.167 4.313 4.480 0.000 0.000 0.265 1054 M C 2.222 178.058 176.300 -0.773 0.000 1.064 1054 M CA 1.510 56.274 55.300 -0.892 0.000 1.109 1054 M CB -0.508 31.820 32.600 -0.454 0.000 1.396 1054 M HN 0.249 nan 8.290 nan 0.000 0.430 1055 K N 0.319 120.271 120.400 -0.748 0.000 2.097 1055 K HA -0.229 4.091 4.320 0.000 0.000 0.214 1055 K C 1.831 178.197 176.600 -0.390 0.000 1.052 1055 K CA 1.660 57.461 56.287 -0.811 0.000 0.932 1055 K CB -0.248 31.601 32.500 -1.086 0.000 0.716 1055 K HN 0.346 nan 8.250 nan 0.000 0.455 1056 E N 0.126 120.050 120.200 -0.461 0.000 2.106 1056 E HA -0.089 4.262 4.350 0.000 0.000 0.192 1056 E C 0.432 177.026 176.600 -0.009 0.000 0.984 1056 E CA 0.595 56.872 56.400 -0.204 0.000 0.806 1056 E CB -0.167 29.376 29.700 -0.262 0.000 0.750 1056 E HN 0.156 nan 8.360 nan 0.000 0.458 1057 F N 2.204 122.089 119.950 -0.107 0.000 2.506 1057 F HA 0.089 4.616 4.527 0.000 0.000 0.369 1057 F C 0.960 176.758 175.800 -0.005 0.000 1.114 1057 F CA -0.535 57.467 58.000 0.004 0.000 1.121 1057 F CB -0.431 38.436 39.000 -0.222 0.000 1.104 1057 F HN -0.220 nan 8.300 nan 0.000 0.564 1058 N N 3.658 122.495 118.700 0.228 0.000 2.776 1058 N HA 0.242 4.982 4.740 0.000 0.000 0.245 1058 N C -1.588 173.794 175.510 -0.213 0.000 1.121 1058 N CA -0.053 53.018 53.050 0.034 0.000 0.852 1058 N CB 0.965 39.508 38.487 0.095 0.000 1.142 1058 N HN 0.631 nan 8.380 nan 0.000 0.514 1059 C N 2.446 121.517 119.300 -0.381 0.000 2.797 1059 C HA 0.388 4.848 4.460 0.000 0.000 0.306 1059 C C 1.716 176.573 174.990 -0.222 0.000 1.207 1059 C CA -0.568 58.150 59.018 -0.500 0.000 1.507 1059 C CB 0.666 27.739 27.740 -1.112 0.000 2.028 1059 C HN 0.870 nan 8.230 nan 0.000 0.475 1060 H N 0.923 119.832 119.070 -0.268 0.000 2.518 1060 H HA 0.029 4.586 4.556 0.000 0.000 0.289 1060 H C 0.923 176.013 175.328 -0.397 0.000 1.051 1060 H CA 2.106 57.958 56.048 -0.327 0.000 1.280 1060 H CB -0.034 29.479 29.762 -0.414 0.000 1.380 1060 H HN 0.850 nan 8.280 nan 0.000 0.566 1061 H N -1.324 117.714 119.070 -0.052 0.000 2.487 1061 H HA 0.357 4.914 4.556 0.000 0.000 0.290 1061 H C -0.747 174.562 175.328 -0.031 0.000 1.081 1061 H CA -0.188 55.837 56.048 -0.039 0.000 1.116 1061 H CB 0.776 30.583 29.762 0.075 0.000 1.560 1061 H HN 0.017 nan 8.280 nan 0.000 0.548 1062 V N 1.618 121.538 119.914 0.009 0.000 2.531 1062 V HA 0.131 4.251 4.120 0.000 0.000 0.301 1062 V C -0.009 176.130 176.094 0.075 0.000 1.034 1062 V CA -1.108 61.255 62.300 0.105 0.000 0.865 1062 V CB 2.299 34.175 31.823 0.088 0.000 0.995 1062 V HN 0.020 nan 8.190 nan 0.000 0.424 1063 V N 5.412 125.413 119.914 0.145 0.000 2.509 1063 V HA 0.083 4.203 4.120 0.000 0.000 0.297 1063 V C 0.770 176.916 176.094 0.087 0.000 1.014 1063 V CA 0.236 62.591 62.300 0.091 0.000 1.127 1063 V CB 0.049 31.939 31.823 0.112 0.000 0.925 1063 V HN 0.817 nan 8.190 nan 0.000 0.480 1064 R N 4.044 124.564 120.500 0.033 0.000 2.390 1064 R HA 0.472 4.812 4.340 0.000 0.000 0.291 1064 R C -0.424 175.891 176.300 0.025 0.000 1.070 1064 R CA -0.642 55.475 56.100 0.028 0.000 1.014 1064 R CB 0.790 31.104 30.300 0.023 0.000 1.007 1064 R HN 0.740 nan 8.270 nan 0.000 0.466 1065 L N 5.847 127.068 121.223 -0.002 0.000 2.290 1065 L HA 0.203 4.543 4.340 0.000 0.000 0.284 1065 L C 0.114 177.021 176.870 0.063 0.000 1.078 1065 L CA -0.164 54.660 54.840 -0.025 0.000 0.815 1065 L CB 0.790 42.752 42.059 -0.161 0.000 1.162 1065 L HN 0.813 nan 8.230 nan 0.000 0.435 1066 L N 5.154 126.424 121.223 0.078 0.000 2.590 1066 L HA 0.504 4.844 4.340 0.000 0.000 0.227 1066 L C 0.814 177.788 176.870 0.173 0.000 1.099 1066 L CA 0.335 55.247 54.840 0.121 0.000 0.872 1066 L CB 0.067 42.170 42.059 0.073 0.000 1.088 1066 L HN 0.841 nan 8.230 nan 0.000 0.479 1067 G N -0.597 108.302 108.800 0.166 0.000 2.359 1067 G HA2 0.317 4.277 3.960 0.000 0.000 0.296 1067 G HA3 0.317 4.277 3.960 0.000 0.000 0.296 1067 G C -1.928 173.033 174.900 0.102 0.000 1.308 1067 G CA -0.644 44.579 45.100 0.204 0.000 0.894 1067 G HN -0.298 nan 8.290 nan 0.000 0.564 1068 V N -0.516 119.464 119.914 0.110 0.000 2.789 1068 V HA 0.637 4.757 4.120 0.000 0.000 0.311 1068 V C -0.146 175.989 176.094 0.067 0.000 1.073 1068 V CA -0.788 61.549 62.300 0.062 0.000 0.921 1068 V CB 1.978 33.817 31.823 0.027 0.000 1.009 1068 V HN 0.889 nan 8.190 nan 0.000 0.426 1069 V N 3.495 123.446 119.914 0.061 0.000 2.288 1069 V HA 0.231 4.351 4.120 0.000 0.000 0.266 1069 V C 1.119 177.238 176.094 0.041 0.000 1.048 1069 V CA 0.568 62.896 62.300 0.047 0.000 0.842 1069 V CB 0.782 32.627 31.823 0.038 0.000 1.064 1069 V HN 1.098 nan 8.190 nan 0.000 0.472 1070 S N 2.674 118.393 115.700 0.032 0.000 2.483 1070 S HA 0.080 4.550 4.470 0.000 0.000 0.221 1070 S C 0.945 175.545 174.600 -0.002 0.000 1.030 1070 S CA -0.079 58.131 58.200 0.016 0.000 0.925 1070 S CB 0.139 63.347 63.200 0.012 0.000 0.795 1070 S HN 0.561 nan 8.310 nan 0.000 0.511 1071 Q N 2.216 122.019 119.800 0.006 0.000 3.181 1071 Q HA 0.573 4.913 4.340 0.000 0.000 0.293 1071 Q C 0.394 176.395 176.000 0.003 0.000 1.406 1071 Q CA 0.264 56.069 55.803 0.004 0.000 1.026 1071 Q CB 0.083 28.829 28.738 0.012 0.000 1.630 1071 Q HN 0.721 nan 8.270 nan 0.000 0.553 1072 G N 0.346 109.144 108.800 -0.003 0.000 2.452 1072 G HA2 0.259 4.219 3.960 0.000 0.000 0.224 1072 G HA3 0.259 4.219 3.960 0.000 0.000 0.224 1072 G C -1.718 173.174 174.900 -0.012 0.000 1.208 1072 G CA -0.462 44.635 45.100 -0.004 0.000 0.946 1072 G HN 0.187 nan 8.290 nan 0.000 0.481 1073 Q N 0.539 120.329 119.800 -0.015 0.000 2.443 1073 Q HA 0.556 4.896 4.340 0.000 0.000 0.258 1073 Q C -2.736 173.246 176.000 -0.029 0.000 0.967 1073 Q CA -0.971 54.818 55.803 -0.024 0.000 0.951 1073 Q CB 2.275 31.000 28.738 -0.021 0.000 1.459 1073 Q HN 0.660 nan 8.270 nan 0.000 0.415 1074 P HA 0.328 nan 4.420 nan 0.000 0.277 1074 P C -0.729 176.550 177.300 -0.035 0.000 1.240 1074 P CA -0.360 62.712 63.100 -0.047 0.000 0.798 1074 P CB 0.733 32.400 31.700 -0.054 0.000 0.979 1075 T N 1.985 116.511 114.554 -0.047 0.000 2.916 1075 T HA 0.273 4.623 4.350 0.000 0.000 0.303 1075 T C 0.317 175.051 174.700 0.056 0.000 1.025 1075 T CA 0.067 62.172 62.100 0.009 0.000 1.142 1075 T CB -0.128 68.758 68.868 0.029 0.000 0.947 1075 T HN 0.201 nan 8.240 nan 0.000 0.544 1076 L N 2.912 124.205 121.223 0.118 0.000 2.365 1076 L HA 0.634 4.974 4.340 0.000 0.000 0.273 1076 L C -0.548 176.441 176.870 0.198 0.000 1.000 1076 L CA -1.225 53.709 54.840 0.157 0.000 0.819 1076 L CB 1.960 44.071 42.059 0.086 0.000 1.284 1076 L HN 0.322 nan 8.230 nan 0.000 0.418 1077 V N 3.951 124.018 119.914 0.254 0.000 2.384 1077 V HA 0.379 4.499 4.120 0.000 0.000 0.287 1077 V C -0.103 176.044 176.094 0.089 0.000 1.020 1077 V CA -0.394 61.963 62.300 0.096 0.000 0.850 1077 V CB 1.868 33.650 31.823 -0.069 0.000 0.987 1077 V HN 0.443 nan 8.190 nan 0.000 0.436 1078 I N 6.806 127.411 120.570 0.058 0.000 2.312 1078 I HA 0.366 4.537 4.170 0.000 0.000 0.291 1078 I C 0.298 176.443 176.117 0.046 0.000 1.031 1078 I CA 0.368 61.705 61.300 0.062 0.000 1.293 1078 I CB 0.762 38.798 38.000 0.060 0.000 1.403 1078 I HN 0.387 nan 8.210 nan 0.000 0.484 1079 M N 3.975 123.606 119.600 0.051 0.000 2.706 1079 M HA 0.378 4.858 4.480 0.000 0.000 0.304 1079 M C 0.184 176.508 176.300 0.039 0.000 1.217 1079 M CA -0.784 54.541 55.300 0.042 0.000 0.922 1079 M CB 1.085 33.715 32.600 0.050 0.000 1.637 1079 M HN 0.519 nan 8.290 nan 0.000 0.492 1080 E N 1.274 121.493 120.200 0.031 0.000 2.384 1080 E HA 0.153 4.503 4.350 0.000 0.000 0.266 1080 E C -1.274 175.335 176.600 0.014 0.000 1.012 1080 E CA -0.421 55.989 56.400 0.017 0.000 0.901 1080 E CB 0.766 30.469 29.700 0.004 0.000 0.967 1080 E HN 0.436 nan 8.360 nan 0.000 0.435 1081 L N 5.424 126.651 121.223 0.007 0.000 2.319 1081 L HA 0.218 4.559 4.340 0.000 0.000 0.280 1081 L C -0.789 176.069 176.870 -0.020 0.000 1.099 1081 L CA 0.077 54.918 54.840 0.001 0.000 0.828 1081 L CB 1.066 43.128 42.059 0.005 0.000 1.150 1081 L HN 0.621 nan 8.230 nan 0.000 0.442 1082 M N 5.042 124.628 119.600 -0.025 0.000 2.131 1082 M HA 0.186 4.666 4.480 0.000 0.000 0.345 1082 M C 1.281 177.544 176.300 -0.061 0.000 1.060 1082 M CA -0.228 55.041 55.300 -0.051 0.000 1.011 1082 M CB 0.450 33.022 32.600 -0.047 0.000 1.328 1082 M HN 0.778 nan 8.290 nan 0.000 0.396 1083 T N -0.484 114.024 114.554 -0.077 0.000 2.897 1083 T HA -0.088 4.262 4.350 0.000 0.000 0.271 1083 T C 1.355 176.010 174.700 -0.075 0.000 1.084 1083 T CA 1.163 63.221 62.100 -0.070 0.000 1.123 1083 T CB -0.019 68.801 68.868 -0.080 0.000 0.865 1083 T HN 0.623 nan 8.240 nan 0.000 0.496 1084 R N 0.969 121.398 120.500 -0.119 0.000 2.359 1084 R HA 0.450 4.790 4.340 0.000 0.000 0.231 1084 R C 1.496 177.777 176.300 -0.031 0.000 0.913 1084 R CA 0.173 56.216 56.100 -0.095 0.000 1.075 1084 R CB 0.076 30.231 30.300 -0.242 0.000 1.087 1084 R HN 0.587 nan 8.270 nan 0.000 0.515 1085 G N 2.121 110.902 108.800 -0.032 0.000 2.645 1085 G HA2 -0.289 3.671 3.960 0.000 0.000 0.239 1085 G HA3 -0.289 3.671 3.960 0.000 0.000 0.239 1085 G C -0.796 174.105 174.900 0.002 0.000 1.331 1085 G CA -0.186 44.914 45.100 0.000 0.000 0.890 1085 G HN 0.473 nan 8.290 nan 0.000 0.572 1086 D N 0.306 120.721 120.400 0.027 0.000 2.345 1086 D HA 0.264 4.904 4.640 0.000 0.000 0.247 1086 D C 1.716 178.062 176.300 0.078 0.000 1.108 1086 D CA -0.146 53.871 54.000 0.029 0.000 0.894 1086 D CB 1.649 42.460 40.800 0.018 0.000 1.203 1086 D HN 0.668 nan 8.370 nan 0.000 0.430 1087 L N 2.845 124.109 121.223 0.069 0.000 2.081 1087 L HA -0.221 4.120 4.340 0.000 0.000 0.212 1087 L C 2.401 179.383 176.870 0.187 0.000 1.080 1087 L CA 1.884 56.806 54.840 0.136 0.000 0.754 1087 L CB -0.731 41.386 42.059 0.097 0.000 0.893 1087 L HN 0.612 nan 8.230 nan 0.000 0.433 1088 K N -0.641 119.835 120.400 0.127 0.000 1.991 1088 K HA -0.195 4.125 4.320 0.000 0.000 0.212 1088 K C 2.108 178.778 176.600 0.116 0.000 1.049 1088 K CA 1.988 58.350 56.287 0.126 0.000 0.932 1088 K CB -0.314 32.247 32.500 0.102 0.000 0.717 1088 K HN 0.592 nan 8.250 nan 0.000 0.441 1089 S N -0.482 115.281 115.700 0.105 0.000 2.481 1089 S HA -0.152 4.318 4.470 0.000 0.000 0.231 1089 S C 1.921 176.583 174.600 0.103 0.000 0.996 1089 S CA 0.575 58.825 58.200 0.084 0.000 0.942 1089 S CB -0.516 62.724 63.200 0.066 0.000 0.768 1089 S HN 0.524 nan 8.310 nan 0.000 0.520 1090 Y N 2.220 122.543 120.300 0.038 0.000 2.220 1090 Y HA 0.142 4.693 4.550 0.000 0.000 0.291 1090 Y C 1.863 177.794 175.900 0.051 0.000 1.129 1090 Y CA 1.078 59.207 58.100 0.048 0.000 1.161 1090 Y CB -0.393 38.102 38.460 0.059 0.000 0.997 1090 Y HN 0.198 nan 8.280 nan 0.000 0.522 1091 L N -0.083 121.137 121.223 -0.006 0.000 2.083 1091 L HA -0.205 4.135 4.340 0.000 0.000 0.209 1091 L C 2.612 179.405 176.870 -0.128 0.000 1.083 1091 L CA 1.452 56.234 54.840 -0.097 0.000 0.752 1091 L CB -0.455 41.629 42.059 0.042 0.000 0.899 1091 L HN 0.142 nan 8.230 nan 0.000 0.433 1092 R N -0.283 120.181 120.500 -0.060 0.000 2.092 1092 R HA -0.127 4.214 4.340 0.000 0.000 0.231 1092 R C 2.521 178.771 176.300 -0.082 0.000 1.119 1092 R CA 1.513 57.583 56.100 -0.050 0.000 0.970 1092 R CB -0.335 29.963 30.300 -0.004 0.000 0.864 1092 R HN 0.436 nan 8.270 nan 0.000 0.440 1093 S N 0.569 116.200 115.700 -0.114 0.000 2.507 1093 S HA -0.034 4.437 4.470 0.000 0.000 0.235 1093 S C 1.779 176.285 174.600 -0.157 0.000 0.988 1093 S CA 0.729 58.860 58.200 -0.115 0.000 0.944 1093 S CB -0.178 62.963 63.200 -0.099 0.000 0.762 1093 S HN 0.262 nan 8.310 nan 0.000 0.526 1094 L N 0.110 121.200 121.223 -0.220 0.000 2.509 1094 L HA 0.220 4.560 4.340 0.000 0.000 0.222 1094 L C 1.006 177.804 176.870 -0.121 0.000 1.123 1094 L CA -0.005 54.716 54.840 -0.199 0.000 0.856 1094 L CB -0.209 41.696 42.059 -0.256 0.000 0.985 1094 L HN 0.158 nan 8.230 nan 0.000 0.456 1095 R N 1.435 121.876 120.500 -0.099 0.000 2.543 1095 R HA 0.082 4.422 4.340 0.000 0.000 0.277 1095 R C -1.384 174.881 176.300 -0.058 0.000 1.074 1095 R CA -1.295 54.761 56.100 -0.073 0.000 1.076 1095 R CB 0.125 30.388 30.300 -0.062 0.000 0.993 1095 R HN -0.110 nan 8.270 nan 0.000 0.459 1096 P HA -0.068 nan 4.420 nan 0.000 0.251 1096 P C -0.775 176.506 177.300 -0.032 0.000 1.251 1096 P CA 0.836 63.912 63.100 -0.040 0.000 0.763 1096 P CB 0.384 32.060 31.700 -0.039 0.000 1.067 1102 P HA -0.074 nan 4.420 nan 0.000 0.224 1102 P C 0.972 178.294 177.300 0.038 0.000 1.142 1102 P CA 0.655 63.770 63.100 0.026 0.000 0.778 1102 P CB 0.611 32.327 31.700 0.027 0.000 0.764 1103 V N -1.436 118.517 119.914 0.066 0.000 3.621 1103 V HA 0.177 4.297 4.120 0.000 0.000 0.285 1103 V C 0.228 176.392 176.094 0.117 0.000 1.346 1103 V CA 0.064 62.427 62.300 0.105 0.000 1.104 1103 V CB -0.293 31.631 31.823 0.169 0.000 0.913 1103 V HN -0.081 nan 8.190 nan 0.000 0.432 1104 L N 1.723 122.985 121.223 0.065 0.000 2.316 1104 L HA 0.836 5.176 4.340 0.000 0.000 0.280 1104 L C -0.278 176.574 176.870 -0.031 0.000 1.006 1104 L CA -0.159 54.698 54.840 0.029 0.000 0.836 1104 L CB 1.377 43.440 42.059 0.007 0.000 1.221 1104 L HN 0.170 nan 8.230 nan 0.000 0.418 1105 A N 4.425 127.213 122.820 -0.054 0.000 2.498 1105 A HA 0.913 5.233 4.320 0.000 0.000 0.298 1105 A C -2.720 174.815 177.584 -0.082 0.000 1.075 1105 A CA -1.607 50.390 52.037 -0.065 0.000 0.714 1105 A CB 1.437 20.404 19.000 -0.054 0.000 1.299 1105 A HN 0.405 nan 8.150 nan 0.000 0.407 1106 P HA 0.229 nan 4.420 nan 0.000 0.264 1106 P C -2.434 174.825 177.300 -0.068 0.000 1.179 1106 P CA -0.076 62.976 63.100 -0.081 0.000 0.763 1106 P CB -0.319 31.336 31.700 -0.075 0.000 0.806 1107 P HA 0.123 nan 4.420 nan 0.000 0.278 1107 P C -0.157 177.113 177.300 -0.050 0.000 1.238 1107 P CA -0.361 62.712 63.100 -0.046 0.000 0.794 1107 P CB 0.478 32.169 31.700 -0.016 0.000 0.955 1108 S N 1.977 117.647 115.700 -0.050 0.000 2.617 1108 S HA 0.047 4.517 4.470 0.000 0.000 0.259 1108 S C 1.190 175.766 174.600 -0.041 0.000 1.301 1108 S CA -0.527 57.646 58.200 -0.046 0.000 0.984 1108 S CB -0.078 63.096 63.200 -0.044 0.000 0.954 1108 S HN 0.377 nan 8.310 nan 0.000 0.572 1109 L N 1.024 122.224 121.223 -0.039 0.000 2.079 1109 L HA -0.041 4.299 4.340 0.000 0.000 0.210 1109 L C 2.587 179.436 176.870 -0.035 0.000 1.081 1109 L CA 2.269 57.087 54.840 -0.036 0.000 0.752 1109 L CB -1.297 40.742 42.059 -0.033 0.000 0.896 1109 L HN 0.895 nan 8.230 nan 0.000 0.433 1110 S N -1.106 114.574 115.700 -0.034 0.000 2.368 1110 S HA -0.142 4.328 4.470 0.000 0.000 0.224 1110 S C 2.037 176.617 174.600 -0.033 0.000 1.029 1110 S CA 0.971 59.151 58.200 -0.034 0.000 0.988 1110 S CB -0.192 62.989 63.200 -0.031 0.000 0.838 1110 S HN 0.435 nan 8.310 nan 0.000 0.462 1111 K N 0.960 121.340 120.400 -0.033 0.000 2.097 1111 K HA 0.034 4.355 4.320 0.000 0.000 0.205 1111 K C 2.086 178.680 176.600 -0.009 0.000 1.050 1111 K CA 1.184 57.457 56.287 -0.024 0.000 0.938 1111 K CB -0.568 31.911 32.500 -0.036 0.000 0.718 1111 K HN 0.493 nan 8.250 nan 0.000 0.442 1112 M N 0.354 119.944 119.600 -0.017 0.000 2.175 1112 M HA -0.111 4.369 4.480 0.000 0.000 0.264 1112 M C 1.944 178.233 176.300 -0.018 0.000 1.063 1112 M CA 1.063 56.355 55.300 -0.015 0.000 1.119 1112 M CB -0.252 32.330 32.600 -0.030 0.000 1.377 1112 M HN -0.030 nan 8.290 nan 0.000 0.415 1113 I N 0.230 120.782 120.570 -0.030 0.000 2.252 1113 I HA -0.244 3.926 4.170 0.000 0.000 0.245 1113 I C 2.464 178.546 176.117 -0.059 0.000 1.102 1113 I CA 1.561 62.837 61.300 -0.041 0.000 1.385 1113 I CB -1.345 36.622 38.000 -0.055 0.000 1.064 1113 I HN 0.340 nan 8.210 nan 0.000 0.414 1114 Q N 1.033 120.802 119.800 -0.052 0.000 2.020 1114 Q HA -0.169 4.171 4.340 0.000 0.000 0.202 1114 Q C 2.316 178.304 176.000 -0.021 0.000 0.982 1114 Q CA 1.846 57.615 55.803 -0.056 0.000 0.838 1114 Q CB -0.264 28.469 28.738 -0.009 0.000 0.899 1114 Q HN 0.399 nan 8.270 nan 0.000 0.423 1115 M N -0.624 118.988 119.600 0.020 0.000 2.106 1115 M HA -0.220 4.260 4.480 0.000 0.000 0.259 1115 M C 2.118 178.454 176.300 0.061 0.000 1.068 1115 M CA 1.711 57.040 55.300 0.049 0.000 1.100 1115 M CB -0.395 32.241 32.600 0.059 0.000 1.351 1115 M HN 0.364 nan 8.290 nan 0.000 0.404 1116 A N 0.237 123.094 122.820 0.060 0.000 1.873 1116 A HA -0.038 4.282 4.320 0.000 0.000 0.215 1116 A C 2.356 180.057 177.584 0.195 0.000 1.186 1116 A CA 1.867 54.013 52.037 0.180 0.000 0.616 1116 A CB -1.544 17.541 19.000 0.141 0.000 0.823 1116 A HN 0.538 nan 8.150 nan 0.000 0.442 1117 G N -0.518 108.275 108.800 -0.012 0.000 2.418 1117 G HA2 -0.192 3.769 3.960 0.000 0.000 0.217 1117 G HA3 -0.192 3.769 3.960 0.000 0.000 0.217 1117 G C 1.426 176.254 174.900 -0.121 0.000 1.158 1117 G CA 1.009 46.015 45.100 -0.155 0.000 0.771 1117 G HN 0.654 nan 8.290 nan 0.000 0.545 1118 E N 0.020 120.134 120.200 -0.144 0.000 2.077 1118 E HA -0.053 4.298 4.350 0.000 0.000 0.193 1118 E C 2.499 178.980 176.600 -0.199 0.000 0.989 1118 E CA 0.638 56.837 56.400 -0.335 0.000 0.800 1118 E CB -0.141 29.486 29.700 -0.120 0.000 0.746 1118 E HN 0.469 nan 8.360 nan 0.000 0.452 1119 I N 1.048 121.620 120.570 0.003 0.000 2.252 1119 I HA -0.247 3.923 4.170 0.000 0.000 0.245 1119 I C 2.522 178.612 176.117 -0.046 0.000 1.102 1119 I CA 0.901 62.240 61.300 0.065 0.000 1.385 1119 I CB -0.286 37.859 38.000 0.241 0.000 1.064 1119 I HN 0.087 nan 8.210 nan 0.000 0.414 1120 A N 0.245 123.026 122.820 -0.065 0.000 1.930 1120 A HA -0.268 4.052 4.320 0.000 0.000 0.217 1120 A C 1.939 179.429 177.584 -0.156 0.000 1.175 1120 A CA 2.116 53.970 52.037 -0.305 0.000 0.627 1120 A CB -0.636 18.206 19.000 -0.263 0.000 0.815 1120 A HN 0.422 nan 8.150 nan 0.000 0.443 1121 D N -0.490 119.915 120.400 0.009 0.000 2.087 1121 D HA -0.070 4.570 4.640 0.000 0.000 0.192 1121 D C 2.049 178.423 176.300 0.124 0.000 0.993 1121 D CA 1.864 55.974 54.000 0.184 0.000 0.828 1121 D CB -0.484 40.469 40.800 0.255 0.000 0.968 1121 D HN 0.286 nan 8.370 nan 0.000 0.448 1122 G N -0.128 108.710 108.800 0.063 0.000 2.450 1122 G HA2 -0.247 3.714 3.960 0.000 0.000 0.220 1122 G HA3 -0.247 3.714 3.960 0.000 0.000 0.220 1122 G C 1.500 176.356 174.900 -0.074 0.000 1.130 1122 G CA 0.876 46.010 45.100 0.056 0.000 0.760 1122 G HN 0.200 nan 8.290 nan 0.000 0.557 1123 M N 0.864 120.278 119.600 -0.310 0.000 2.193 1123 M HA 0.179 4.659 4.480 0.000 0.000 0.265 1123 M C 3.046 179.083 176.300 -0.439 0.000 1.071 1123 M CA 1.028 55.967 55.300 -0.602 0.000 1.140 1123 M CB -1.228 30.457 32.600 -1.524 0.000 1.369 1123 M HN 0.300 nan 8.290 nan 0.000 0.423 1124 A N -0.339 122.327 122.820 -0.256 0.000 1.917 1124 A HA -0.252 4.068 4.320 0.000 0.000 0.219 1124 A C 2.166 179.561 177.584 -0.315 0.000 1.182 1124 A CA 1.815 53.860 52.037 0.013 0.000 0.633 1124 A CB -1.292 17.898 19.000 0.317 0.000 0.819 1124 A HN 0.522 nan 8.150 nan 0.000 0.448 1125 Y N 0.462 120.385 120.300 -0.629 0.000 2.128 1125 Y HA -0.204 4.346 4.550 0.000 0.000 0.284 1125 Y C 2.030 177.618 175.900 -0.520 0.000 1.154 1125 Y CA 1.893 59.410 58.100 -0.972 0.000 1.149 1125 Y CB -0.348 37.779 38.460 -0.554 0.000 0.976 1125 Y HN 0.223 nan 8.280 nan 0.000 0.505 1126 L N 0.313 121.308 121.223 -0.381 0.000 1.989 1126 L HA -0.309 4.031 4.340 0.000 0.000 0.211 1126 L C 2.134 178.909 176.870 -0.158 0.000 1.071 1126 L CA 2.213 56.855 54.840 -0.329 0.000 0.749 1126 L CB -0.871 41.098 42.059 -0.151 0.000 0.890 1126 L HN 0.388 nan 8.230 nan 0.000 0.431 1127 N N -0.279 118.366 118.700 -0.092 0.000 2.205 1127 N HA -0.171 4.569 4.740 0.000 0.000 0.186 1127 N C 1.794 177.272 175.510 -0.054 0.000 1.015 1127 N CA 0.951 54.001 53.050 -0.001 0.000 0.862 1127 N CB -0.089 38.465 38.487 0.112 0.000 0.986 1127 N HN 0.344 nan 8.380 nan 0.000 0.429 1128 A N 1.279 124.003 122.820 -0.160 0.000 1.968 1128 A HA -0.026 4.294 4.320 0.000 0.000 0.217 1128 A C 1.569 179.076 177.584 -0.127 0.000 1.169 1128 A CA 0.880 52.843 52.037 -0.123 0.000 0.638 1128 A CB -0.079 18.813 19.000 -0.181 0.000 0.812 1128 A HN 0.274 nan 8.150 nan 0.000 0.446 1129 N N 0.294 118.873 118.700 -0.203 0.000 2.362 1129 N HA 0.014 4.754 4.740 0.000 0.000 0.204 1129 N C -0.614 174.876 175.510 -0.034 0.000 1.166 1129 N CA 0.050 53.061 53.050 -0.066 0.000 0.831 1129 N CB 0.246 38.709 38.487 -0.041 0.000 1.008 1129 N HN 0.097 nan 8.380 nan 0.000 0.472 1130 K N 0.313 120.656 120.400 -0.095 0.000 3.239 1130 K HA -0.164 4.156 4.320 0.000 0.000 0.270 1130 K C -1.100 175.280 176.600 -0.367 0.000 1.049 1130 K CA 0.788 56.959 56.287 -0.193 0.000 0.769 1130 K CB -2.000 30.364 32.500 -0.228 0.000 1.305 1130 K HN 0.199 nan 8.250 nan 0.000 0.469 1131 F N -0.964 118.959 119.950 -0.046 0.000 2.551 1131 F HA 0.469 4.996 4.527 0.000 0.000 0.316 1131 F C 0.636 176.445 175.800 0.014 0.000 1.089 1131 F CA -1.029 56.968 58.000 -0.005 0.000 0.915 1131 F CB 1.740 40.742 39.000 0.004 0.000 1.186 1131 F HN -0.216 nan 8.300 nan 0.000 0.456 1132 V N 3.078 123.133 119.914 0.235 0.000 2.435 1132 V HA 0.175 4.295 4.120 0.000 0.000 0.290 1132 V C 0.853 177.079 176.094 0.220 0.000 1.030 1132 V CA -0.548 61.875 62.300 0.206 0.000 0.881 1132 V CB 1.311 33.232 31.823 0.163 0.000 0.983 1132 V HN 0.868 nan 8.190 nan 0.000 0.445 1133 H N 4.506 123.663 119.070 0.145 0.000 2.307 1133 H HA 0.012 4.568 4.556 0.000 0.000 0.303 1133 H C 1.462 176.827 175.328 0.062 0.000 1.073 1133 H CA 2.033 58.141 56.048 0.100 0.000 1.338 1133 H CB 0.384 30.174 29.762 0.048 0.000 1.389 1133 H HN 0.727 nan 8.280 nan 0.000 0.503 1134 R N -0.920 119.748 120.500 0.280 0.000 3.785 1134 R HA -0.169 4.172 4.340 0.000 0.000 0.476 1134 R C -0.380 176.067 176.300 0.245 0.000 0.905 1134 R CA 1.216 57.418 56.100 0.171 0.000 1.412 1134 R CB -1.377 28.789 30.300 -0.223 0.000 2.077 1134 R HN 0.318 nan 8.270 nan 0.000 0.504 1135 D N 0.032 120.690 120.400 0.430 0.000 2.914 1135 D HA 0.136 4.776 4.640 0.000 0.000 0.349 1135 D C -1.062 175.351 176.300 0.187 0.000 1.540 1135 D CA -0.390 53.788 54.000 0.296 0.000 0.778 1135 D CB 0.374 41.264 40.800 0.151 0.000 1.213 1135 D HN 0.011 nan 8.370 nan 0.000 0.451 1136 L N 1.697 122.976 121.223 0.093 0.000 2.462 1136 L HA 0.602 4.942 4.340 0.000 0.000 0.272 1136 L C -0.356 176.534 176.870 0.033 0.000 1.166 1136 L CA 0.334 55.112 54.840 -0.104 0.000 0.880 1136 L CB 0.318 42.392 42.059 0.025 0.000 1.142 1136 L HN 0.193 nan 8.230 nan 0.000 0.473 1137 A N 3.861 126.635 122.820 -0.078 0.000 2.586 1137 A HA 0.675 4.995 4.320 0.000 0.000 0.291 1137 A C 0.447 178.017 177.584 -0.024 0.000 1.062 1137 A CA -0.148 51.834 52.037 -0.091 0.000 0.666 1137 A CB 0.228 18.769 19.000 -0.765 0.000 1.281 1137 A HN 1.012 nan 8.150 nan 0.000 0.421 1138 A N 0.706 123.590 122.820 0.107 0.000 1.940 1138 A HA -0.152 4.169 4.320 0.000 0.000 0.219 1138 A C 1.936 179.536 177.584 0.025 0.000 1.176 1138 A CA 2.105 54.201 52.037 0.097 0.000 0.631 1138 A CB -0.616 18.488 19.000 0.174 0.000 0.814 1138 A HN 1.184 nan 8.150 nan 0.000 0.446 1139 R N -1.005 119.475 120.500 -0.033 0.000 2.237 1139 R HA -0.016 4.324 4.340 0.000 0.000 0.219 1139 R C 0.463 176.719 176.300 -0.073 0.000 1.080 1139 R CA 1.557 57.624 56.100 -0.055 0.000 0.995 1139 R CB -0.379 29.856 30.300 -0.109 0.000 0.875 1139 R HN 0.320 nan 8.270 nan 0.000 0.462 1140 N N -0.115 118.525 118.700 -0.100 0.000 2.230 1140 N HA 0.122 4.862 4.740 0.000 0.000 0.202 1140 N C -0.778 174.668 175.510 -0.106 0.000 1.119 1140 N CA -0.077 52.910 53.050 -0.104 0.000 0.851 1140 N CB 0.515 38.934 38.487 -0.113 0.000 0.990 1140 N HN 0.174 nan 8.380 nan 0.000 0.497 1141 C N 0.662 119.922 119.300 -0.065 0.000 2.470 1141 C HA 0.629 5.089 4.460 0.000 0.000 0.341 1141 C C 0.159 175.137 174.990 -0.021 0.000 1.190 1141 C CA -0.864 58.128 59.018 -0.044 0.000 1.904 1141 C CB 1.387 29.118 27.740 -0.015 0.000 2.354 1141 C HN 0.162 nan 8.230 nan 0.000 0.509 1142 M N 1.413 121.001 119.600 -0.020 0.000 2.572 1142 M HA 0.520 5.001 4.480 0.000 0.000 0.299 1142 M C -1.125 175.139 176.300 -0.060 0.000 1.205 1142 M CA -0.483 54.799 55.300 -0.030 0.000 0.876 1142 M CB 1.748 34.335 32.600 -0.023 0.000 1.728 1142 M HN 0.329 nan 8.290 nan 0.000 0.458 1143 V N 1.482 121.326 119.914 -0.117 0.000 2.417 1143 V HA 0.684 4.804 4.120 0.000 0.000 0.291 1143 V C 0.385 176.357 176.094 -0.203 0.000 1.024 1143 V CA -0.774 61.401 62.300 -0.208 0.000 0.861 1143 V CB 1.319 32.862 31.823 -0.466 0.000 0.985 1143 V HN 1.022 nan 8.190 nan 0.000 0.436 1144 A N 2.980 125.697 122.820 -0.173 0.000 2.259 1144 A HA 0.493 4.813 4.320 0.000 0.000 0.278 1144 A C 1.276 178.699 177.584 -0.268 0.000 1.107 1144 A CA 0.029 51.968 52.037 -0.163 0.000 0.828 1144 A CB 0.274 19.213 19.000 -0.101 0.000 1.111 1144 A HN 0.917 nan 8.150 nan 0.000 0.498 1145 E N 0.040 120.110 120.200 -0.217 0.000 2.118 1145 E HA -0.214 4.137 4.350 0.000 0.000 0.195 1145 E C 0.857 177.233 176.600 -0.374 0.000 0.992 1145 E CA 2.116 58.350 56.400 -0.275 0.000 0.804 1145 E CB -0.159 29.455 29.700 -0.142 0.000 0.741 1145 E HN 0.725 nan 8.360 nan 0.000 0.458 1146 D N -1.630 118.663 120.400 -0.179 0.000 2.336 1146 D HA -0.038 4.602 4.640 0.000 0.000 0.228 1146 D C -0.083 176.315 176.300 0.163 0.000 1.120 1146 D CA -0.171 53.828 54.000 -0.002 0.000 0.839 1146 D CB -0.520 40.332 40.800 0.087 0.000 0.932 1146 D HN 0.283 nan 8.370 nan 0.000 0.509 1147 F N -1.512 118.422 119.950 -0.026 0.000 2.656 1147 F HA -0.246 4.282 4.527 0.000 0.000 0.381 1147 F C 0.431 176.209 175.800 -0.036 0.000 0.603 1147 F CA 0.706 58.666 58.000 -0.066 0.000 1.335 1147 F CB -2.528 36.464 39.000 -0.014 0.000 1.836 1147 F HN -0.105 nan 8.300 nan 0.000 0.290 1148 T N 2.150 116.777 114.554 0.123 0.000 2.902 1148 T HA 0.419 4.769 4.350 0.000 0.000 0.301 1148 T C 0.490 175.233 174.700 0.073 0.000 1.012 1148 T CA -0.094 62.090 62.100 0.140 0.000 1.151 1148 T CB 1.174 70.130 68.868 0.146 0.000 0.946 1148 T HN 0.054 nan 8.240 nan 0.000 0.542 1149 V N 5.099 125.081 119.914 0.113 0.000 2.481 1149 V HA 0.490 4.610 4.120 0.000 0.000 0.286 1149 V C 0.208 176.368 176.094 0.109 0.000 1.042 1149 V CA -0.601 61.740 62.300 0.069 0.000 0.928 1149 V CB 1.369 33.230 31.823 0.064 0.000 0.986 1149 V HN 0.771 nan 8.190 nan 0.000 0.462 1150 K N 3.853 124.287 120.400 0.056 0.000 2.477 1150 K HA 0.587 4.907 4.320 0.000 0.000 0.255 1150 K C -1.402 175.216 176.600 0.029 0.000 0.952 1150 K CA -1.010 55.318 56.287 0.068 0.000 0.826 1150 K CB 2.481 34.996 32.500 0.025 0.000 1.331 1150 K HN 0.333 nan 8.250 nan 0.000 0.437 1151 I N 1.816 122.406 120.570 0.033 0.000 2.533 1151 I HA 0.069 4.239 4.170 0.000 0.000 0.284 1151 I C 1.182 177.281 176.117 -0.031 0.000 1.109 1151 I CA 0.501 61.764 61.300 -0.061 0.000 1.412 1151 I CB 0.144 38.099 38.000 -0.076 0.000 1.396 1151 I HN 1.013 nan 8.210 nan 0.000 0.543 1152 G N 5.042 113.762 108.800 -0.133 0.000 3.342 1152 G HA2 0.056 4.016 3.960 0.000 0.000 0.252 1152 G HA3 0.056 4.016 3.960 0.000 0.000 0.252 1152 G C 0.047 174.909 174.900 -0.063 0.000 1.011 1152 G CA -0.030 45.055 45.100 -0.024 0.000 0.869 1152 G HN 0.636 nan 8.290 nan 0.000 0.514 1153 D N -0.467 119.748 120.400 -0.308 0.000 2.964 1153 D HA 0.377 5.017 4.640 0.000 0.000 0.234 1153 D C -1.053 174.971 176.300 -0.461 0.000 1.223 1153 D CA -0.528 53.356 54.000 -0.192 0.000 0.889 1153 D CB 1.693 42.440 40.800 -0.088 0.000 1.609 1153 D HN -0.038 nan 8.370 nan 0.000 0.523 1154 F N 1.226 121.167 119.950 -0.015 0.000 2.775 1154 F HA 0.267 4.794 4.527 0.000 0.000 0.313 1154 F C 1.987 177.710 175.800 -0.130 0.000 1.121 1154 F CA -0.515 57.404 58.000 -0.135 0.000 1.206 1154 F CB 1.279 40.283 39.000 0.007 0.000 1.052 1154 F HN 0.523 nan 8.300 nan 0.000 0.524 1155 G N 0.464 109.279 108.800 0.026 0.000 2.462 1155 G HA2 -0.194 3.766 3.960 0.000 0.000 0.220 1155 G HA3 -0.194 3.766 3.960 0.000 0.000 0.220 1155 G C 1.406 176.295 174.900 -0.019 0.000 1.121 1155 G CA 0.864 45.982 45.100 0.031 0.000 0.758 1155 G HN 0.150 nan 8.290 nan 0.000 0.559 1156 M N 1.627 121.170 119.600 -0.096 0.000 2.333 1156 M HA 0.128 4.608 4.480 0.000 0.000 0.257 1156 M C 0.853 177.083 176.300 -0.116 0.000 1.078 1156 M CA 0.157 55.389 55.300 -0.113 0.000 1.005 1156 M CB -0.303 32.216 32.600 -0.135 0.000 1.444 1156 M HN 0.168 nan 8.290 nan 0.000 0.496 1157 T N 1.080 115.589 114.554 -0.076 0.000 2.930 1157 T HA 0.403 4.754 4.350 0.000 0.000 0.306 1157 T C 0.324 175.093 174.700 0.116 0.000 1.045 1157 T CA -0.278 61.840 62.100 0.031 0.000 1.134 1157 T CB 1.464 70.415 68.868 0.139 0.000 0.961 1157 T HN 0.131 nan 8.240 nan 0.000 0.545 1158 R N 1.456 122.056 120.500 0.165 0.000 2.750 1158 R HA 0.410 4.750 4.340 0.000 0.000 0.281 1158 R C -0.946 175.450 176.300 0.161 0.000 0.972 1158 R CA -0.941 55.240 56.100 0.135 0.000 0.912 1158 R CB 1.674 31.986 30.300 0.021 0.000 1.187 1158 R HN 0.800 nan 8.270 nan 0.000 0.464 1159 D N 3.087 123.500 120.400 0.022 0.000 2.317 1159 D HA 0.273 4.914 4.640 0.000 0.000 0.252 1159 D C 0.089 176.259 176.300 -0.217 0.000 1.174 1159 D CA -0.221 53.589 54.000 -0.316 0.000 0.866 1159 D CB 0.487 41.121 40.800 -0.277 0.000 1.127 1159 D HN 0.460 nan 8.370 nan 0.000 0.467 1163 T N 0.040 114.573 114.554 -0.034 0.000 3.026 1163 T HA 0.130 4.480 4.350 0.000 0.000 0.245 1163 T C -0.566 174.121 174.700 -0.020 0.000 1.004 1163 T CA 0.699 62.787 62.100 -0.020 0.000 1.069 1163 T CB 0.308 69.167 68.868 -0.015 0.000 1.005 1163 T HN 0.140 nan 8.240 nan 0.000 0.472 1168 K N 2.587 123.106 120.400 0.197 0.000 2.383 1168 K HA 0.256 4.576 4.320 0.000 0.000 0.286 1168 K C 0.823 177.475 176.600 0.087 0.000 1.051 1168 K CA 0.843 57.213 56.287 0.139 0.000 0.974 1168 K CB 1.054 33.684 32.500 0.216 0.000 0.968 1168 K HN 0.657 nan 8.250 nan 0.000 0.475 1169 G N 2.809 111.641 108.800 0.055 0.000 2.454 1169 G HA2 0.004 3.964 3.960 0.000 0.000 0.214 1169 G HA3 0.004 3.964 3.960 0.000 0.000 0.214 1169 G C 0.630 175.551 174.900 0.036 0.000 1.217 1169 G CA 0.682 45.805 45.100 0.039 0.000 0.799 1169 G HN 0.727 nan 8.290 nan 0.000 0.538 1170 G N -0.576 108.243 108.800 0.032 0.000 3.247 1170 G HA2 0.448 4.409 3.960 0.000 0.000 0.163 1170 G HA3 0.448 4.409 3.960 0.000 0.000 0.163 1170 G C -0.635 174.284 174.900 0.032 0.000 1.206 1170 G CA -0.339 44.777 45.100 0.028 0.000 0.918 1170 G HN 0.330 nan 8.290 nan 0.000 0.625 1171 K N 0.495 120.909 120.400 0.024 0.000 2.472 1171 K HA 0.458 4.778 4.320 0.000 0.000 0.280 1171 K C 0.267 176.883 176.600 0.027 0.000 1.028 1171 K CA 0.625 56.927 56.287 0.025 0.000 1.045 1171 K CB 0.136 32.646 32.500 0.017 0.000 0.902 1171 K HN 0.593 nan 8.250 nan 0.000 0.478 1172 G N 3.035 111.858 108.800 0.038 0.000 2.473 1172 G HA2 0.533 4.494 3.960 0.000 0.000 0.321 1172 G HA3 0.533 4.494 3.960 0.000 0.000 0.321 1172 G C -0.282 174.640 174.900 0.036 0.000 1.200 1172 G CA -0.787 44.336 45.100 0.038 0.000 0.963 1172 G HN 0.604 nan 8.290 nan 0.000 0.483 1173 L N 0.592 121.828 121.223 0.022 0.000 2.906 1173 L HA 0.308 4.648 4.340 0.000 0.000 0.255 1173 L C 0.355 177.242 176.870 0.029 0.000 1.166 1173 L CA -0.137 54.714 54.840 0.019 0.000 0.977 1173 L CB 0.071 42.128 42.059 -0.004 0.000 1.313 1173 L HN 0.214 nan 8.230 nan 0.000 0.549 1174 L N 2.707 123.962 121.223 0.054 0.000 2.490 1174 L HA 0.140 4.480 4.340 0.000 0.000 0.274 1174 L C -1.660 175.282 176.870 0.119 0.000 1.201 1174 L CA -1.493 53.398 54.840 0.086 0.000 0.869 1174 L CB -0.202 41.946 42.059 0.147 0.000 1.123 1174 L HN -0.077 nan 8.230 nan 0.000 0.484 1175 P HA 0.007 nan 4.420 nan 0.000 0.271 1175 P C 0.864 178.336 177.300 0.287 0.000 1.220 1175 P CA -0.371 62.853 63.100 0.206 0.000 0.768 1175 P CB 1.207 33.044 31.700 0.229 0.000 0.848 1176 V N 2.495 122.532 119.914 0.204 0.000 2.490 1176 V HA -0.214 3.906 4.120 0.000 0.000 0.250 1176 V C 2.012 178.193 176.094 0.146 0.000 1.061 1176 V CA 1.310 63.689 62.300 0.131 0.000 1.064 1176 V CB -1.432 30.411 31.823 0.034 0.000 0.670 1176 V HN 0.406 nan 8.190 nan 0.000 0.461 1177 R N -1.045 119.586 120.500 0.217 0.000 2.357 1177 R HA 0.029 4.369 4.340 0.000 0.000 0.202 1177 R C 1.497 177.811 176.300 0.023 0.000 1.047 1177 R CA 1.176 57.310 56.100 0.056 0.000 1.034 1177 R CB -0.191 30.067 30.300 -0.070 0.000 0.875 1177 R HN 0.645 nan 8.270 nan 0.000 0.473 1178 W N -0.393 121.034 121.300 0.211 0.000 2.714 1178 W HA 0.308 4.968 4.660 0.000 0.000 0.353 1178 W C -0.152 176.569 176.519 0.335 0.000 0.999 1178 W CA -0.497 57.022 57.345 0.290 0.000 1.629 1178 W CB 0.416 30.019 29.460 0.238 0.000 1.106 1178 W HN -0.014 nan 8.180 nan 0.000 0.545 1179 M N 1.019 120.833 119.600 0.357 0.000 2.318 1179 M HA 0.142 4.622 4.480 0.000 0.000 0.347 1179 M C 1.075 177.201 176.300 -0.290 0.000 1.175 1179 M CA -0.012 55.368 55.300 0.133 0.000 1.075 1179 M CB 1.584 34.226 32.600 0.070 0.000 1.614 1179 M HN -0.250 nan 8.290 nan 0.000 0.456 1180 S N 2.351 117.723 115.700 -0.547 0.000 2.584 1180 S HA 0.214 4.684 4.470 0.000 0.000 0.270 1180 S C -2.129 171.921 174.600 -0.917 0.000 1.346 1180 S CA -1.004 56.459 58.200 -1.227 0.000 1.018 1180 S CB 0.356 63.164 63.200 -0.653 0.000 0.899 1180 S HN 0.451 nan 8.310 nan 0.000 0.542 1181 P HA -0.174 nan 4.420 nan 0.000 0.215 1181 P C 1.674 178.675 177.300 -0.499 0.000 1.153 1181 P CA 1.527 64.227 63.100 -0.667 0.000 0.853 1181 P CB -0.078 31.176 31.700 -0.744 0.000 0.788 1182 E N -0.458 119.437 120.200 -0.509 0.000 2.152 1182 E HA -0.079 4.271 4.350 0.000 0.000 0.192 1182 E C 1.650 178.031 176.600 -0.366 0.000 0.983 1182 E CA 1.311 57.489 56.400 -0.371 0.000 0.818 1182 E CB -1.110 28.408 29.700 -0.305 0.000 0.758 1182 E HN 0.152 nan 8.360 nan 0.000 0.467 1183 S N 1.537 116.952 115.700 -0.475 0.000 2.368 1183 S HA -0.012 4.459 4.470 0.000 0.000 0.224 1183 S C 2.184 176.563 174.600 -0.369 0.000 1.029 1183 S CA 0.965 58.794 58.200 -0.618 0.000 0.988 1183 S CB -0.315 62.398 63.200 -0.811 0.000 0.838 1183 S HN 0.197 nan 8.310 nan 0.000 0.462 1184 L N 1.124 122.169 121.223 -0.297 0.000 2.083 1184 L HA -0.104 4.236 4.340 0.000 0.000 0.209 1184 L C 2.569 179.351 176.870 -0.146 0.000 1.083 1184 L CA 1.264 55.993 54.840 -0.186 0.000 0.752 1184 L CB -0.340 41.601 42.059 -0.197 0.000 0.899 1184 L HN 0.268 nan 8.230 nan 0.000 0.433 1185 K N -0.631 119.665 120.400 -0.173 0.000 2.067 1185 K HA -0.092 4.228 4.320 0.000 0.000 0.203 1185 K C 0.809 177.350 176.600 -0.098 0.000 1.048 1185 K CA 1.299 57.513 56.287 -0.123 0.000 0.954 1185 K CB 0.350 32.772 32.500 -0.130 0.000 0.737 1185 K HN 0.189 nan 8.250 nan 0.000 0.444 1186 D N -1.642 118.685 120.400 -0.122 0.000 2.520 1186 D HA 0.133 4.773 4.640 0.000 0.000 0.223 1186 D C 0.240 176.497 176.300 -0.071 0.000 1.186 1186 D CA 0.589 54.539 54.000 -0.083 0.000 0.821 1186 D CB 1.319 42.073 40.800 -0.078 0.000 1.072 1186 D HN 0.406 nan 8.370 nan 0.000 0.518 1187 G N 1.453 110.182 108.800 -0.119 0.000 2.198 1187 G HA2 -0.277 3.684 3.960 0.000 0.000 0.260 1187 G HA3 -0.277 3.684 3.960 0.000 0.000 0.260 1187 G C 0.356 175.215 174.900 -0.070 0.000 1.025 1187 G CA 0.296 45.365 45.100 -0.051 0.000 0.769 1187 G HN 0.281 nan 8.290 nan 0.000 0.507 1188 V N 0.095 119.860 119.914 -0.248 0.000 2.546 1188 V HA 0.710 4.830 4.120 0.000 0.000 0.284 1188 V C 0.068 175.929 176.094 -0.389 0.000 1.050 1188 V CA -0.144 62.063 62.300 -0.155 0.000 0.981 1188 V CB 1.071 32.830 31.823 -0.107 0.000 0.990 1188 V HN 0.234 nan 8.190 nan 0.000 0.474 1189 F N 3.007 122.963 119.950 0.009 0.000 2.529 1189 F HA 0.684 5.212 4.527 0.000 0.000 0.320 1189 F C 0.442 176.243 175.800 0.001 0.000 1.118 1189 F CA -0.406 57.609 58.000 0.024 0.000 0.915 1189 F CB 2.291 41.316 39.000 0.042 0.000 1.161 1189 F HN 0.609 nan 8.300 nan 0.000 0.445 1190 T N -3.299 111.332 114.554 0.129 0.000 2.669 1190 T HA 0.287 4.637 4.350 0.000 0.000 0.283 1190 T C 0.954 175.634 174.700 -0.033 0.000 1.019 1190 T CA 0.080 62.153 62.100 -0.045 0.000 1.039 1190 T CB 1.129 69.826 68.868 -0.284 0.000 1.374 1190 T HN 0.535 nan 8.240 nan 0.000 0.523 1191 T N -1.355 113.066 114.554 -0.222 0.000 2.915 1191 T HA -0.075 4.276 4.350 0.000 0.000 0.269 1191 T C 1.502 176.208 174.700 0.010 0.000 1.071 1191 T CA 1.069 63.137 62.100 -0.053 0.000 1.132 1191 T CB -0.910 67.908 68.868 -0.084 0.000 0.878 1191 T HN 0.600 nan 8.240 nan 0.000 0.479 1192 Y N 3.040 123.391 120.300 0.084 0.000 2.200 1192 Y HA -0.005 4.545 4.550 0.000 0.000 0.290 1192 Y C 3.167 179.153 175.900 0.144 0.000 1.137 1192 Y CA 0.462 58.598 58.100 0.059 0.000 1.163 1192 Y CB -1.252 37.230 38.460 0.036 0.000 0.988 1192 Y HN 0.452 nan 8.280 nan 0.000 0.518 1193 S N -0.679 115.186 115.700 0.276 0.000 2.453 1193 S HA -0.133 4.337 4.470 0.000 0.000 0.231 1193 S C 1.429 176.271 174.600 0.403 0.000 1.005 1193 S CA 1.169 59.535 58.200 0.276 0.000 0.949 1193 S CB -0.338 62.928 63.200 0.109 0.000 0.774 1193 S HN 0.307 nan 8.310 nan 0.000 0.510 1194 D N 1.617 122.252 120.400 0.392 0.000 2.144 1194 D HA 0.014 4.655 4.640 0.000 0.000 0.200 1194 D C 2.017 178.668 176.300 0.584 0.000 0.978 1194 D CA 0.724 55.025 54.000 0.502 0.000 0.833 1194 D CB -0.417 40.708 40.800 0.542 0.000 0.961 1194 D HN 0.304 nan 8.370 nan 0.000 0.470 1195 V N 0.825 120.922 119.914 0.305 0.000 2.407 1195 V HA -0.186 3.934 4.120 0.000 0.000 0.248 1195 V C 2.130 178.435 176.094 0.353 0.000 1.055 1195 V CA 1.115 63.458 62.300 0.072 0.000 1.049 1195 V CB -0.402 31.283 31.823 -0.230 0.000 0.662 1195 V HN 0.415 nan 8.190 nan 0.000 0.455 1196 W N 0.971 122.434 121.300 0.271 0.000 2.335 1196 W HA -0.231 4.429 4.660 0.000 0.000 0.311 1196 W C 2.486 179.291 176.519 0.478 0.000 1.213 1196 W CA 2.203 59.776 57.345 0.381 0.000 1.274 1196 W CB -0.501 29.135 29.460 0.293 0.000 1.148 1196 W HN 0.321 nan 8.180 nan 0.000 0.498 1197 S N 0.673 116.798 115.700 0.707 0.000 2.368 1197 S HA -0.227 4.244 4.470 0.000 0.000 0.225 1197 S C 1.534 176.443 174.600 0.516 0.000 1.030 1197 S CA 1.552 60.134 58.200 0.636 0.000 0.999 1197 S CB -1.072 62.483 63.200 0.592 0.000 0.844 1197 S HN 0.331 nan 8.310 nan 0.000 0.459 1198 F N 2.704 122.870 119.950 0.361 0.000 2.120 1198 F HA -0.111 4.417 4.527 0.000 0.000 0.300 1198 F C 2.260 178.152 175.800 0.153 0.000 1.095 1198 F CA 1.343 59.513 58.000 0.285 0.000 1.249 1198 F CB -1.010 38.240 39.000 0.418 0.000 0.995 1198 F HN 0.222 nan 8.300 nan 0.000 0.480 1199 G N -0.164 108.666 108.800 0.049 0.000 2.440 1199 G HA2 -0.239 3.721 3.960 0.000 0.000 0.218 1199 G HA3 -0.239 3.721 3.960 0.000 0.000 0.218 1199 G C 1.709 176.613 174.900 0.007 0.000 1.154 1199 G CA 1.289 46.173 45.100 -0.360 0.000 0.767 1199 G HN 0.364 nan 8.290 nan 0.000 0.552 1200 V N 0.901 121.020 119.914 0.341 0.000 2.515 1200 V HA -0.137 3.983 4.120 0.000 0.000 0.250 1200 V C 3.032 179.304 176.094 0.297 0.000 1.058 1200 V CA 1.580 64.078 62.300 0.331 0.000 1.064 1200 V CB 0.025 31.900 31.823 0.086 0.000 0.675 1200 V HN 0.410 nan 8.190 nan 0.000 0.461 1201 V N -1.442 118.608 119.914 0.228 0.000 2.719 1201 V HA -0.073 4.047 4.120 0.000 0.000 0.252 1201 V C 2.068 178.176 176.094 0.024 0.000 1.065 1201 V CA 1.409 63.824 62.300 0.191 0.000 1.086 1201 V CB -0.419 31.501 31.823 0.162 0.000 0.700 1201 V HN 0.444 nan 8.190 nan 0.000 0.467 1202 L N -1.292 119.833 121.223 -0.164 0.000 2.046 1202 L HA -0.122 4.219 4.340 0.000 0.000 0.208 1202 L C 2.424 179.299 176.870 0.008 0.000 1.077 1202 L CA 2.532 57.257 54.840 -0.190 0.000 0.747 1202 L CB -0.680 41.171 42.059 -0.346 0.000 0.896 1202 L HN 0.587 nan 8.230 nan 0.000 0.432 1203 W N 1.368 122.638 121.300 -0.050 0.000 2.338 1203 W HA -0.218 4.442 4.660 0.000 0.000 0.304 1203 W C 2.443 178.968 176.519 0.010 0.000 1.212 1203 W CA 1.766 59.130 57.345 0.033 0.000 1.264 1203 W CB 0.008 29.555 29.460 0.145 0.000 1.142 1203 W HN 0.096 nan 8.180 nan 0.000 0.512 1204 E N -0.025 120.365 120.200 0.317 0.000 2.077 1204 E HA -0.250 4.100 4.350 0.000 0.000 0.193 1204 E C 2.081 178.678 176.600 -0.005 0.000 0.989 1204 E CA 1.832 58.344 56.400 0.187 0.000 0.800 1204 E CB -0.459 29.437 29.700 0.326 0.000 0.746 1204 E HN 0.383 nan 8.360 nan 0.000 0.452 1205 I N 0.798 121.367 120.570 -0.002 0.000 2.315 1205 I HA -0.223 3.947 4.170 0.000 0.000 0.248 1205 I C 2.389 178.443 176.117 -0.106 0.000 1.117 1205 I CA 0.863 62.144 61.300 -0.032 0.000 1.404 1205 I CB -0.217 37.770 38.000 -0.023 0.000 1.071 1205 I HN 0.063 nan 8.210 nan 0.000 0.419 1206 A N 0.324 123.040 122.820 -0.173 0.000 2.119 1206 A HA -0.096 4.224 4.320 0.000 0.000 0.216 1206 A C 2.081 179.465 177.584 -0.333 0.000 1.152 1206 A CA 1.673 53.573 52.037 -0.230 0.000 0.708 1206 A CB -0.731 18.130 19.000 -0.232 0.000 0.805 1206 A HN 0.511 nan 8.150 nan 0.000 0.460 1207 T N -3.563 110.734 114.554 -0.429 0.000 3.054 1207 T HA 0.405 4.755 4.350 0.000 0.000 0.255 1207 T C 0.519 175.067 174.700 -0.254 0.000 1.035 1207 T CA 0.052 61.871 62.100 -0.469 0.000 0.941 1207 T CB -0.489 67.854 68.868 -0.875 0.000 1.026 1207 T HN 0.466 nan 8.240 nan 0.000 0.533 1208 L N 0.801 121.922 121.223 -0.170 0.000 3.739 1208 L HA -0.251 4.089 4.340 0.000 0.000 0.442 1208 L C 0.803 177.641 176.870 -0.054 0.000 1.241 1208 L CA 0.217 55.000 54.840 -0.096 0.000 0.819 1208 L CB -2.418 39.580 42.059 -0.101 0.000 1.679 1208 L HN 0.814 nan 8.230 nan 0.000 0.889 1209 A N -0.770 122.035 122.820 -0.026 0.000 2.734 1209 A HA -0.167 4.153 4.320 0.000 0.000 0.294 1209 A C 0.582 178.223 177.584 0.094 0.000 1.455 1209 A CA 1.416 53.502 52.037 0.082 0.000 0.730 1209 A CB -1.253 17.811 19.000 0.107 0.000 1.077 1209 A HN 0.676 nan 8.150 nan 0.000 0.448 1210 E N -0.017 120.216 120.200 0.056 0.000 2.314 1210 E HA 0.361 4.711 4.350 0.000 0.000 0.262 1210 E C 0.492 177.295 176.600 0.338 0.000 1.093 1210 E CA -0.652 55.828 56.400 0.133 0.000 0.908 1210 E CB 0.577 30.299 29.700 0.036 0.000 1.091 1210 E HN 0.638 nan 8.360 nan 0.000 0.425 1211 Q N 2.148 122.107 119.800 0.265 0.000 2.297 1211 Q HA 0.114 4.454 4.340 0.000 0.000 0.267 1211 Q C -2.261 173.817 176.000 0.130 0.000 1.006 1211 Q CA -1.731 54.203 55.803 0.218 0.000 0.896 1211 Q CB 0.453 29.284 28.738 0.154 0.000 1.186 1211 Q HN 0.094 nan 8.270 nan 0.000 0.392 1212 P HA -0.061 nan 4.420 nan 0.000 0.268 1212 P C -1.290 175.745 177.300 -0.442 0.000 1.205 1212 P CA 0.372 62.946 63.100 -0.877 0.000 0.771 1212 P CB 0.145 31.186 31.700 -1.099 0.000 0.858 1213 Y N -1.194 118.817 120.300 -0.482 0.000 3.929 1213 Y HA -0.260 4.290 4.550 0.000 0.000 0.225 1213 Y C 0.998 176.779 175.900 -0.198 0.000 1.200 1213 Y CA 0.425 58.328 58.100 -0.329 0.000 1.791 1213 Y CB -2.595 35.673 38.460 -0.321 0.000 1.561 1213 Y HN 0.440 nan 8.280 nan 0.000 0.657 1214 Q N 0.900 120.688 119.800 -0.020 0.000 2.333 1214 Q HA 0.260 4.600 4.340 0.000 0.000 0.299 1214 Q C 1.495 177.485 176.000 -0.017 0.000 1.067 1214 Q CA 1.741 57.551 55.803 0.013 0.000 0.943 1214 Q CB 0.471 29.238 28.738 0.049 0.000 1.233 1214 Q HN 0.867 nan 8.270 nan 0.000 0.401 1215 G N 2.856 111.645 108.800 -0.018 0.000 2.234 1215 G HA2 -0.217 3.743 3.960 0.000 0.000 0.235 1215 G HA3 -0.217 3.743 3.960 0.000 0.000 0.235 1215 G C -0.118 174.747 174.900 -0.058 0.000 0.997 1215 G CA 0.101 45.178 45.100 -0.037 0.000 0.623 1215 G HN 0.512 nan 8.290 nan 0.000 0.514 1216 L N 1.901 123.084 121.223 -0.068 0.000 2.331 1216 L HA 0.669 5.009 4.340 0.000 0.000 0.275 1216 L C 1.138 177.979 176.870 -0.049 0.000 1.022 1216 L CA -0.349 54.440 54.840 -0.086 0.000 0.812 1216 L CB 1.849 43.814 42.059 -0.156 0.000 1.257 1216 L HN 0.404 nan 8.230 nan 0.000 0.435 1217 S N 0.404 116.078 115.700 -0.043 0.000 2.645 1217 S HA 0.180 4.651 4.470 0.000 0.000 0.266 1217 S C 0.834 175.414 174.600 -0.033 0.000 1.258 1217 S CA -0.714 57.472 58.200 -0.024 0.000 0.990 1217 S CB 0.995 64.185 63.200 -0.016 0.000 0.967 1217 S HN 0.600 nan 8.310 nan 0.000 0.556 1218 N N 1.155 119.847 118.700 -0.013 0.000 2.137 1218 N HA -0.171 4.569 4.740 0.000 0.000 0.190 1218 N C 1.515 177.005 175.510 -0.032 0.000 1.017 1218 N CA 1.692 54.733 53.050 -0.014 0.000 0.859 1218 N CB -0.506 37.989 38.487 0.014 0.000 1.002 1218 N HN 0.880 nan 8.380 nan 0.000 0.428 1219 E N 0.601 120.786 120.200 -0.024 0.000 2.208 1219 E HA -0.086 4.264 4.350 0.000 0.000 0.193 1219 E C 1.503 178.083 176.600 -0.033 0.000 0.988 1219 E CA 0.579 56.964 56.400 -0.024 0.000 0.828 1219 E CB 0.171 29.863 29.700 -0.014 0.000 0.763 1219 E HN 0.433 nan 8.360 nan 0.000 0.478 1220 Q N -0.451 119.324 119.800 -0.042 0.000 2.269 1220 Q HA -0.050 4.291 4.340 0.000 0.000 0.201 1220 Q C 2.162 178.125 176.000 -0.061 0.000 0.946 1220 Q CA 0.736 56.513 55.803 -0.042 0.000 0.877 1220 Q CB 0.452 29.157 28.738 -0.056 0.000 0.963 1220 Q HN 0.173 nan 8.270 nan 0.000 0.472 1221 V N 1.005 120.843 119.914 -0.126 0.000 2.358 1221 V HA -0.230 3.890 4.120 0.000 0.000 0.246 1221 V C 2.084 178.076 176.094 -0.171 0.000 1.047 1221 V CA 1.185 63.338 62.300 -0.246 0.000 1.035 1221 V CB -0.448 31.167 31.823 -0.348 0.000 0.658 1221 V HN 0.330 nan 8.190 nan 0.000 0.452 1222 L N 0.451 121.608 121.223 -0.110 0.000 2.012 1222 L HA -0.155 4.185 4.340 0.000 0.000 0.210 1222 L C 2.557 179.389 176.870 -0.063 0.000 1.073 1222 L CA 1.975 56.762 54.840 -0.088 0.000 0.748 1222 L CB -0.909 41.116 42.059 -0.057 0.000 0.891 1222 L HN 0.234 nan 8.230 nan 0.000 0.431 1223 R N -2.005 118.481 120.500 -0.024 0.000 2.073 1223 R HA -0.157 4.183 4.340 0.000 0.000 0.229 1223 R C 2.229 178.544 176.300 0.025 0.000 1.120 1223 R CA 1.436 57.535 56.100 -0.001 0.000 0.967 1223 R CB -0.627 29.682 30.300 0.015 0.000 0.862 1223 R HN 0.317 nan 8.270 nan 0.000 0.436 1224 F N 1.288 121.171 119.950 -0.112 0.000 2.046 1224 F HA -0.232 4.295 4.527 0.000 0.000 0.297 1224 F C 2.049 177.796 175.800 -0.089 0.000 1.123 1224 F CA 1.505 59.446 58.000 -0.099 0.000 1.199 1224 F CB -0.344 38.577 39.000 -0.132 0.000 0.972 1224 F HN -0.284 nan 8.300 nan 0.000 0.474 1225 V N 0.165 120.012 119.914 -0.112 0.000 2.667 1225 V HA -0.277 3.844 4.120 0.000 0.000 0.252 1225 V C 2.394 178.401 176.094 -0.145 0.000 1.065 1225 V CA 1.863 64.059 62.300 -0.173 0.000 1.083 1225 V CB -0.500 31.212 31.823 -0.185 0.000 0.692 1225 V HN 0.438 nan 8.190 nan 0.000 0.468 1226 M N -0.642 118.888 119.600 -0.118 0.000 2.319 1226 M HA -0.084 4.396 4.480 0.000 0.000 0.265 1226 M C 1.669 177.993 176.300 0.039 0.000 1.068 1226 M CA 1.482 56.739 55.300 -0.071 0.000 1.118 1226 M CB 0.086 32.640 32.600 -0.075 0.000 1.395 1226 M HN 0.303 nan 8.290 nan 0.000 0.435 1227 E N -1.065 119.109 120.200 -0.044 0.000 2.463 1227 E HA 0.173 4.523 4.350 0.000 0.000 0.193 1227 E C 0.757 177.242 176.600 -0.192 0.000 1.041 1227 E CA 0.338 56.684 56.400 -0.090 0.000 0.879 1227 E CB 0.492 30.132 29.700 -0.100 0.000 0.997 1227 E HN 0.645 nan 8.360 nan 0.000 0.478 1228 G N 0.766 109.493 108.800 -0.123 0.000 2.184 1228 G HA2 -0.204 3.756 3.960 0.000 0.000 0.206 1228 G HA3 -0.204 3.756 3.960 0.000 0.000 0.206 1228 G C 0.518 175.280 174.900 -0.230 0.000 0.995 1228 G CA -0.447 44.566 45.100 -0.146 0.000 0.651 1228 G HN 0.440 nan 8.290 nan 0.000 0.511 1229 G N -0.320 108.139 108.800 -0.568 0.000 2.544 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 -0.011 174.599 174.900 -0.483 0.000 1.247 1229 G CA -0.060 44.376 45.100 -1.107 0.000 0.840 1229 G HN 0.726 nan 8.290 nan 0.000 0.578 1230 L N 0.278 121.433 121.223 -0.113 0.000 2.350 1230 L HA 0.420 4.760 4.340 0.000 0.000 0.260 1230 L C 0.008 176.973 176.870 0.158 0.000 1.015 1230 L CA -1.040 53.830 54.840 0.050 0.000 0.821 1230 L CB 2.114 44.229 42.059 0.094 0.000 1.370 1230 L HN 0.312 nan 8.230 nan 0.000 0.416 1231 L N 1.412 122.459 121.223 -0.293 0.000 2.485 1231 L HA 0.081 4.421 4.340 0.000 0.000 0.275 1231 L C -0.116 176.831 176.870 0.128 0.000 1.207 1231 L CA -0.152 54.461 54.840 -0.379 0.000 0.855 1231 L CB 0.067 41.511 42.059 -1.025 0.000 1.114 1231 L HN 0.463 nan 8.230 nan 0.000 0.485 1232 D N 2.637 123.126 120.400 0.149 0.000 2.372 1232 D HA 0.024 4.665 4.640 0.000 0.000 0.243 1232 D C 0.184 176.593 176.300 0.183 0.000 1.121 1232 D CA -0.231 53.878 54.000 0.181 0.000 0.898 1232 D CB 0.907 41.761 40.800 0.089 0.000 1.202 1232 D HN 0.327 nan 8.370 nan 0.000 0.428 1233 K N 2.566 122.798 120.400 -0.279 0.000 2.453 1233 K HA 0.063 4.383 4.320 0.000 0.000 0.280 1233 K C -2.292 174.144 176.600 -0.273 0.000 1.045 1233 K CA -0.950 54.890 56.287 -0.745 0.000 1.059 1233 K CB 0.177 31.691 32.500 -1.644 0.000 0.901 1233 K HN 0.063 nan 8.250 nan 0.000 0.475 1234 P HA -0.044 nan 4.420 nan 0.000 0.267 1234 P C -0.911 176.272 177.300 -0.196 0.000 1.200 1234 P CA -0.193 62.776 63.100 -0.218 0.000 0.772 1234 P CB 0.453 31.921 31.700 -0.386 0.000 0.855 1235 D N 2.245 122.550 120.400 -0.159 0.000 2.458 1235 D HA -0.020 4.620 4.640 0.000 0.000 0.243 1235 D C 0.516 176.740 176.300 -0.128 0.000 1.146 1235 D CA 0.801 54.724 54.000 -0.128 0.000 0.877 1235 D CB -0.194 40.546 40.800 -0.100 0.000 1.176 1235 D HN 0.287 nan 8.370 nan 0.000 0.461 1236 N N 1.108 119.743 118.700 -0.109 0.000 2.909 1236 N HA -0.231 4.509 4.740 0.000 0.000 0.242 1236 N C -0.250 175.202 175.510 -0.097 0.000 0.975 1236 N CA 0.646 53.640 53.050 -0.093 0.000 0.921 1236 N CB -2.062 36.374 38.487 -0.086 0.000 1.112 1236 N HN 0.459 nan 8.380 nan 0.000 0.581 1237 C N 2.757 121.986 119.300 -0.118 0.000 2.648 1237 C HA 0.273 4.733 4.460 0.000 0.000 0.419 1237 C C -1.632 173.323 174.990 -0.059 0.000 1.352 1237 C CA -1.176 57.780 59.018 -0.103 0.000 1.816 1237 C CB -0.441 27.226 27.740 -0.123 0.000 2.598 1237 C HN 0.190 nan 8.230 nan 0.000 0.598 1238 P HA 0.064 nan 4.420 nan 0.000 0.262 1238 P C 0.353 177.662 177.300 0.015 0.000 1.182 1238 P CA 0.542 63.631 63.100 -0.019 0.000 0.761 1238 P CB 0.487 32.172 31.700 -0.024 0.000 0.795 1239 D N 2.235 122.648 120.400 0.022 0.000 2.158 1239 D HA -0.192 4.448 4.640 0.000 0.000 0.197 1239 D C 1.636 177.978 176.300 0.070 0.000 0.995 1239 D CA 1.316 55.353 54.000 0.062 0.000 0.846 1239 D CB -0.397 40.428 40.800 0.041 0.000 0.941 1239 D HN 0.409 nan 8.370 nan 0.000 0.456 1240 M N 0.068 119.684 119.600 0.027 0.000 2.117 1240 M HA -0.143 4.337 4.480 0.000 0.000 0.262 1240 M C 2.008 178.304 176.300 -0.007 0.000 1.065 1240 M CA 1.180 56.482 55.300 0.004 0.000 1.114 1240 M CB -0.132 32.462 32.600 -0.009 0.000 1.361 1240 M HN 0.029 nan 8.290 nan 0.000 0.408 1241 L N -0.582 120.642 121.223 0.003 0.000 2.046 1241 L HA -0.231 4.109 4.340 0.000 0.000 0.208 1241 L C 2.463 179.327 176.870 -0.009 0.000 1.077 1241 L CA 1.250 56.078 54.840 -0.019 0.000 0.747 1241 L CB -0.726 41.320 42.059 -0.021 0.000 0.896 1241 L HN 0.285 nan 8.230 nan 0.000 0.432 1242 F N 1.105 120.998 119.950 -0.096 0.000 2.186 1242 F HA -0.176 4.352 4.527 0.000 0.000 0.299 1242 F C 2.513 178.241 175.800 -0.120 0.000 1.090 1242 F CA 1.332 59.275 58.000 -0.094 0.000 1.307 1242 F CB -0.121 38.861 39.000 -0.031 0.000 1.019 1242 F HN 0.024 nan 8.300 nan 0.000 0.489 1243 E N 0.191 120.299 120.200 -0.153 0.000 2.118 1243 E HA -0.199 4.151 4.350 0.000 0.000 0.195 1243 E C 2.264 178.694 176.600 -0.283 0.000 0.992 1243 E CA 0.882 57.142 56.400 -0.233 0.000 0.804 1243 E CB -0.878 28.769 29.700 -0.088 0.000 0.741 1243 E HN 0.363 nan 8.360 nan 0.000 0.458 1244 L N 0.384 121.467 121.223 -0.234 0.000 2.056 1244 L HA -0.060 4.280 4.340 0.000 0.000 0.207 1244 L C 2.239 178.868 176.870 -0.402 0.000 1.078 1244 L CA 1.452 56.157 54.840 -0.225 0.000 0.749 1244 L CB -0.513 41.471 42.059 -0.126 0.000 0.901 1244 L HN 0.094 nan 8.230 nan 0.000 0.433 1245 M N -1.270 117.971 119.600 -0.597 0.000 2.108 1245 M HA -0.232 4.248 4.480 0.000 0.000 0.261 1245 M C 2.303 177.893 176.300 -1.184 0.000 1.066 1245 M CA 1.657 56.275 55.300 -1.136 0.000 1.107 1245 M CB -0.426 31.418 32.600 -1.260 0.000 1.356 1245 M HN 0.147 nan 8.290 nan 0.000 0.406 1246 R N 0.112 120.128 120.500 -0.806 0.000 2.096 1246 R HA -0.089 4.252 4.340 0.000 0.000 0.235 1246 R C 2.094 178.220 176.300 -0.290 0.000 1.127 1246 R CA 1.471 57.280 56.100 -0.485 0.000 0.968 1246 R CB -0.395 29.629 30.300 -0.461 0.000 0.861 1246 R HN 0.443 nan 8.270 nan 0.000 0.440 1247 M N -0.486 118.939 119.600 -0.291 0.000 2.254 1247 M HA -0.130 4.350 4.480 0.000 0.000 0.265 1247 M C 2.263 178.470 176.300 -0.156 0.000 1.066 1247 M CA 1.086 56.284 55.300 -0.171 0.000 1.123 1247 M CB -0.142 32.374 32.600 -0.141 0.000 1.388 1247 M HN 0.203 nan 8.290 nan 0.000 0.425 1248 C N -0.769 118.354 119.300 -0.296 0.000 2.446 1248 C HA -0.088 4.372 4.460 0.000 0.000 0.279 1248 C C 1.500 176.424 174.990 -0.110 0.000 1.366 1248 C CA 0.131 59.001 59.018 -0.246 0.000 1.763 1248 C CB -0.890 26.609 27.740 -0.402 0.000 1.929 1248 C HN 0.655 nan 8.230 nan 0.000 0.509 1249 W N 0.983 122.128 121.300 -0.259 0.000 3.151 1249 W HA 0.315 4.975 4.660 0.000 0.000 0.424 1249 W C 0.448 177.038 176.519 0.119 0.000 1.012 1249 W CA -0.727 56.389 57.345 -0.383 0.000 2.018 1249 W CB -1.144 27.896 29.460 -0.699 0.000 1.087 1249 W HN 0.351 nan 8.180 nan 0.000 0.740 1250 Q N 0.138 120.114 119.800 0.294 0.000 2.349 1250 Q HA -0.140 4.200 4.340 0.000 0.000 0.287 1250 Q C 1.034 177.245 176.000 0.352 0.000 1.044 1250 Q CA 0.384 56.338 55.803 0.251 0.000 0.918 1250 Q CB 0.723 29.534 28.738 0.121 0.000 1.242 1250 Q HN 0.321 nan 8.270 nan 0.000 0.405 1251 Y N 2.584 122.983 120.300 0.166 0.000 2.200 1251 Y HA -0.166 4.384 4.550 0.000 0.000 0.290 1251 Y C 0.972 176.894 175.900 0.036 0.000 1.137 1251 Y CA 1.289 59.450 58.100 0.102 0.000 1.163 1251 Y CB 0.333 38.816 38.460 0.037 0.000 0.988 1251 Y HN 0.577 nan 8.280 nan 0.000 0.518 1252 N N 1.367 120.131 118.700 0.107 0.000 2.402 1252 N HA 0.060 4.800 4.740 0.000 0.000 0.252 1252 N C -2.171 173.288 175.510 -0.084 0.000 1.118 1252 N CA -1.857 51.183 53.050 -0.015 0.000 0.945 1252 N CB 1.150 39.647 38.487 0.016 0.000 1.147 1252 N HN 0.048 nan 8.380 nan 0.000 0.495 1253 P HA -0.160 nan 4.420 nan 0.000 0.217 1253 P C 0.522 177.509 177.300 -0.521 0.000 1.148 1253 P CA 1.609 64.586 63.100 -0.206 0.000 0.834 1253 P CB 0.290 31.914 31.700 -0.125 0.000 0.783 1254 K N -1.537 118.560 120.400 -0.505 0.000 2.439 1254 K HA 0.062 4.382 4.320 0.000 0.000 0.197 1254 K C 1.376 177.811 176.600 -0.274 0.000 1.041 1254 K CA 0.737 56.706 56.287 -0.531 0.000 0.970 1254 K CB -0.204 32.105 32.500 -0.319 0.000 0.773 1254 K HN 0.124 nan 8.250 nan 0.000 0.479 1255 M N 0.608 120.106 119.600 -0.170 0.000 2.495 1255 M HA 0.086 4.566 4.480 0.000 0.000 0.237 1255 M C 0.218 176.480 176.300 -0.065 0.000 1.131 1255 M CA 0.434 55.683 55.300 -0.084 0.000 1.032 1255 M CB -0.276 32.304 32.600 -0.034 0.000 1.513 1255 M HN -0.049 nan 8.290 nan 0.000 0.488 1256 R N 0.873 121.324 120.500 -0.082 0.000 2.560 1256 R HA 0.334 4.674 4.340 0.000 0.000 0.270 1256 R C -2.173 174.093 176.300 -0.056 0.000 1.074 1256 R CA -1.376 54.699 56.100 -0.043 0.000 1.140 1256 R CB -0.142 30.165 30.300 0.013 0.000 1.073 1256 R HN -0.010 nan 8.270 nan 0.000 0.527 1257 P HA 0.065 nan 4.420 nan 0.000 0.276 1257 P C -0.772 176.456 177.300 -0.120 0.000 1.244 1257 P CA -0.490 62.565 63.100 -0.075 0.000 0.801 1257 P CB 1.011 32.661 31.700 -0.083 0.000 1.006 1258 S N 0.203 115.857 115.700 -0.077 0.000 2.645 1258 S HA 0.276 4.746 4.470 0.000 0.000 0.266 1258 S C 0.810 175.310 174.600 -0.166 0.000 1.258 1258 S CA -0.301 57.834 58.200 -0.108 0.000 0.990 1258 S CB -0.066 63.157 63.200 0.038 0.000 0.967 1258 S HN 0.188 nan 8.310 nan 0.000 0.556 1259 F N 0.203 120.151 119.950 -0.004 0.000 2.216 1259 F HA 0.047 4.575 4.527 0.000 0.000 0.300 1259 F C 2.057 177.870 175.800 0.021 0.000 1.085 1259 F CA 0.821 58.772 58.000 -0.081 0.000 1.326 1259 F CB -0.764 38.175 39.000 -0.101 0.000 1.027 1259 F HN 0.442 nan 8.300 nan 0.000 0.497 1260 L N -0.343 121.045 121.223 0.275 0.000 2.046 1260 L HA -0.216 4.125 4.340 0.000 0.000 0.208 1260 L C 2.303 179.318 176.870 0.242 0.000 1.077 1260 L CA 1.534 56.565 54.840 0.318 0.000 0.747 1260 L CB -0.651 41.560 42.059 0.254 0.000 0.896 1260 L HN 0.172 nan 8.230 nan 0.000 0.432 1261 E N 0.140 120.415 120.200 0.125 0.000 2.106 1261 E HA -0.184 4.166 4.350 0.000 0.000 0.192 1261 E C 2.284 178.904 176.600 0.032 0.000 0.984 1261 E CA 0.977 57.420 56.400 0.072 0.000 0.806 1261 E CB 0.011 29.729 29.700 0.030 0.000 0.750 1261 E HN 0.472 nan 8.360 nan 0.000 0.458 1262 I N 0.927 121.501 120.570 0.007 0.000 2.142 1262 I HA -0.285 3.885 4.170 0.000 0.000 0.240 1262 I C 2.346 178.442 176.117 -0.036 0.000 1.078 1262 I CA 1.165 62.455 61.300 -0.016 0.000 1.343 1262 I CB -0.323 37.645 38.000 -0.053 0.000 1.046 1262 I HN 0.117 nan 8.210 nan 0.000 0.405 1263 I N 0.219 120.758 120.570 -0.051 0.000 2.208 1263 I HA -0.325 3.845 4.170 0.000 0.000 0.245 1263 I C 2.804 178.731 176.117 -0.317 0.000 1.097 1263 I CA 1.545 62.722 61.300 -0.205 0.000 1.363 1263 I CB -0.462 37.378 38.000 -0.267 0.000 1.051 1263 I HN 0.233 nan 8.210 nan 0.000 0.413 1264 S N 0.606 116.190 115.700 -0.192 0.000 2.383 1264 S HA -0.208 4.262 4.470 0.000 0.000 0.229 1264 S C 2.190 176.762 174.600 -0.047 0.000 1.030 1264 S CA 1.932 60.085 58.200 -0.077 0.000 1.002 1264 S CB -0.392 62.886 63.200 0.130 0.000 0.829 1264 S HN 0.607 nan 8.310 nan 0.000 0.467 1265 S N 1.088 116.763 115.700 -0.041 0.000 2.522 1265 S HA 0.097 4.567 4.470 0.000 0.000 0.227 1265 S C 1.441 176.015 174.600 -0.043 0.000 0.986 1265 S CA 0.571 58.755 58.200 -0.027 0.000 0.929 1265 S CB -0.669 62.520 63.200 -0.019 0.000 0.769 1265 S HN 0.840 nan 8.310 nan 0.000 0.529 1266 I N -1.858 118.665 120.570 -0.079 0.000 4.102 1266 I HA 0.384 4.554 4.170 0.000 0.000 0.325 1266 I C 1.445 177.486 176.117 -0.127 0.000 1.471 1266 I CA -0.552 60.694 61.300 -0.090 0.000 1.133 1266 I CB 0.127 38.072 38.000 -0.091 0.000 1.184 1266 I HN 0.117 nan 8.210 nan 0.000 0.451 1267 K N 0.910 121.235 120.400 -0.124 0.000 2.097 1267 K HA -0.046 4.275 4.320 0.000 0.000 0.206 1267 K C 1.077 177.674 176.600 -0.004 0.000 1.049 1267 K CA 1.271 57.501 56.287 -0.095 0.000 0.933 1267 K CB -0.190 32.287 32.500 -0.040 0.000 0.717 1267 K HN 0.217 nan 8.250 nan 0.000 0.442 1268 E N 1.208 121.412 120.200 0.007 0.000 2.482 1268 E HA -0.078 4.272 4.350 0.000 0.000 0.196 1268 E C 0.803 177.398 176.600 -0.009 0.000 1.047 1268 E CA 0.790 57.202 56.400 0.020 0.000 0.869 1268 E CB 0.286 30.001 29.700 0.025 0.000 0.836 1268 E HN 0.557 nan 8.360 nan 0.000 0.520 1269 E N -0.562 119.613 120.200 -0.041 0.000 2.481 1269 E HA 0.088 4.439 4.350 0.000 0.000 0.198 1269 E C 0.230 176.783 176.600 -0.079 0.000 1.027 1269 E CA -0.194 56.176 56.400 -0.051 0.000 0.900 1269 E CB 0.393 30.062 29.700 -0.053 0.000 0.993 1269 E HN 0.042 nan 8.360 nan 0.000 0.482 1270 M N 1.296 120.824 119.600 -0.121 0.000 2.240 1270 M HA 0.151 4.631 4.480 0.000 0.000 0.333 1270 M C 0.334 176.608 176.300 -0.042 0.000 1.110 1270 M CA 0.332 55.528 55.300 -0.174 0.000 1.173 1270 M CB 0.279 32.627 32.600 -0.420 0.000 1.458 1270 M HN -0.062 nan 8.290 nan 0.000 0.458 1271 E N 2.223 122.421 120.200 -0.003 0.000 2.390 1271 E HA 0.076 4.427 4.350 0.000 0.000 0.261 1271 E C -1.511 175.146 176.600 0.095 0.000 1.076 1271 E CA -1.420 55.008 56.400 0.047 0.000 0.905 1271 E CB 0.325 30.058 29.700 0.056 0.000 0.984 1271 E HN 0.393 nan 8.360 nan 0.000 0.427 1272 P HA -0.217 nan 4.420 nan 0.000 0.217 1272 P C 1.168 178.514 177.300 0.077 0.000 1.158 1272 P CA 1.527 64.661 63.100 0.056 0.000 0.887 1272 P CB 0.012 31.730 31.700 0.030 0.000 0.792 1273 G N -1.993 106.862 108.800 0.093 0.000 2.586 1273 G HA2 -0.255 3.705 3.960 0.000 0.000 0.215 1273 G HA3 -0.255 3.705 3.960 0.000 0.000 0.215 1273 G C 1.229 176.202 174.900 0.122 0.000 1.128 1273 G CA -0.098 45.048 45.100 0.076 0.000 0.774 1273 G HN 0.178 nan 8.290 nan 0.000 0.543 1274 F N 1.257 121.238 119.950 0.052 0.000 2.171 1274 F HA -0.006 4.522 4.527 0.000 0.000 0.300 1274 F C 2.564 178.452 175.800 0.147 0.000 1.090 1274 F CA 1.442 59.523 58.000 0.135 0.000 1.293 1274 F CB -0.043 39.056 39.000 0.165 0.000 1.013 1274 F HN 0.155 nan 8.300 nan 0.000 0.486 1275 R N 0.722 121.240 120.500 0.030 0.000 2.148 1275 R HA -0.157 4.183 4.340 0.000 0.000 0.227 1275 R C 1.686 177.908 176.300 -0.130 0.000 1.103 1275 R CA 1.771 57.741 56.100 -0.216 0.000 0.983 1275 R CB -0.320 29.684 30.300 -0.492 0.000 0.874 1275 R HN 0.533 nan 8.270 nan 0.000 0.451 1276 E N -0.332 119.804 120.200 -0.106 0.000 2.478 1276 E HA -0.040 4.311 4.350 0.000 0.000 0.194 1276 E C 1.451 177.967 176.600 -0.140 0.000 1.045 1276 E CA 0.705 57.043 56.400 -0.103 0.000 0.868 1276 E CB 0.637 30.284 29.700 -0.089 0.000 0.885 1276 E HN 0.349 nan 8.360 nan 0.000 0.505 1277 V N -1.835 117.961 119.914 -0.197 0.000 3.497 1277 V HA 0.173 4.293 4.120 0.000 0.000 0.272 1277 V C 0.865 176.838 176.094 -0.203 0.000 1.474 1277 V CA 0.058 62.180 62.300 -0.297 0.000 1.025 1277 V CB 0.377 31.794 31.823 -0.677 0.000 0.820 1277 V HN 0.182 nan 8.190 nan 0.000 0.437 1278 S N 0.008 115.568 115.700 -0.232 0.000 2.614 1278 S HA 0.374 4.845 4.470 0.000 0.000 0.265 1278 S C 0.722 175.341 174.600 0.031 0.000 1.303 1278 S CA 0.260 58.353 58.200 -0.178 0.000 1.000 1278 S CB 0.952 63.604 63.200 -0.914 0.000 0.935 1278 S HN 0.494 nan 8.310 nan 0.000 0.551 1279 F N 1.449 121.426 119.950 0.044 0.000 2.206 1279 F HA 0.007 4.534 4.527 0.000 0.000 0.298 1279 F C 1.919 177.762 175.800 0.072 0.000 1.090 1279 F CA 1.073 59.130 58.000 0.096 0.000 1.323 1279 F CB -0.705 38.416 39.000 0.202 0.000 1.028 1279 F HN 0.820 nan 8.300 nan 0.000 0.492 1280 Y N -0.016 120.193 120.300 -0.151 0.000 2.114 1280 Y HA -0.325 4.226 4.550 0.000 0.000 0.282 1280 Y C 1.159 176.767 175.900 -0.487 0.000 1.165 1280 Y CA 2.251 60.151 58.100 -0.335 0.000 1.148 1280 Y CB -0.656 37.674 38.460 -0.216 0.000 0.972 1280 Y HN 0.139 nan 8.280 nan 0.000 0.504 1281 Y N 0.151 120.402 120.300 -0.082 0.000 2.645 1281 Y HA 0.199 4.750 4.550 0.000 0.000 0.307 1281 Y C 0.713 176.517 175.900 -0.159 0.000 1.151 1281 Y CA -0.300 57.736 58.100 -0.107 0.000 1.291 1281 Y CB -0.158 38.297 38.460 -0.009 0.000 1.135 1281 Y HN -0.036 nan 8.280 nan 0.000 0.523 1282 S N -1.501 114.108 115.700 -0.150 0.000 2.687 1282 S HA 0.225 4.695 4.470 0.000 0.000 0.283 1282 S C 0.998 175.511 174.600 -0.145 0.000 1.170 1282 S CA -0.822 57.310 58.200 -0.114 0.000 1.008 1282 S CB 1.526 64.678 63.200 -0.081 0.000 1.026 1282 S HN 0.186 nan 8.310 nan 0.000 0.541 1283 E N 1.300 121.461 120.200 -0.064 0.000 2.150 1283 E HA -0.126 4.224 4.350 0.000 0.000 0.193 1283 E C 1.737 178.307 176.600 -0.051 0.000 0.985 1283 E CA 1.232 57.602 56.400 -0.051 0.000 0.814 1283 E CB -0.448 29.245 29.700 -0.011 0.000 0.752 1283 E HN 0.828 nan 8.360 nan 0.000 0.466 1284 E N 1.090 121.282 120.200 -0.013 0.000 2.097 1284 E HA -0.174 4.176 4.350 0.000 0.000 0.196 1284 E C 1.271 177.856 176.600 -0.025 0.000 1.000 1284 E CA 0.761 57.207 56.400 0.078 0.000 0.804 1284 E CB -0.141 29.738 29.700 0.299 0.000 0.740 1284 E HN 0.066 nan 8.360 nan 0.000 0.454 1285 N N 0.000 118.481 118.700 -0.364 0.000 1.763 1285 N HA 0.000 4.740 4.740 0.000 0.000 0.220 1285 N CA 0.000 52.741 53.050 -0.515 0.000 0.885 1285 N CB 0.000 37.854 38.487 -1.054 0.000 1.341 1285 N HN 0.000 nan 8.380 nan 0.000 0.667