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 1syo_1_B DATA FIRST_RESID 1007 DATA SEQUENCE AEFPELcSYT WEAVDTKNNM LYKINIcGNM GVAQcGPSSA VcMHDLKTDS DATA SEQUENCE FHSVGDSLLK TASRSLLEFN TTVNXXXXXX XIQSSITFLc GKTLGTPEFV DATA SEQUENCE TATDCVHYFE WRTTAAcKKN IFKANKEVPc YAFDRELKKH DLNPLIKTSG DATA SEQUENCE AYLVDDSDPD TSLFINVcRD IEVLRASSPQ VRVcPTGAAA cLVRGDRAFD DATA SEQUENCE VGRPQEGLKL VSNDRLVLSY VKXXXXXXXF cDGHSPAVTI TFVcPSERRE DATA SEQUENCE GTIPKLTAKS NcRFEIEWVT EYAcHRDYLE SRScSLSSAQ HDVAVDLQPL DATA SEQUENCE SRVXXXXSLF YTSEADEYTY YLSIcGGSQA PIcNKKDAAV cQVKKADSTQ DATA SEQUENCE VKVAGRPQNL TLRYSDGDLT LIYFGGEEcS SGFQRMSVIN FEcNQTAGNN DATA SEQUENCE GRGAPVFTGE VDcTYFFTWD TKYAcV 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 1007 A HA 0.000 nan 4.320 nan 0.000 0.244 1007 A C 0.000 177.503 177.584 -0.136 0.000 1.274 1007 A CA 0.000 51.978 52.037 -0.099 0.000 0.836 1007 A CB 0.000 18.962 19.000 -0.064 0.000 0.831 1008 E N 1.220 121.245 120.200 -0.291 0.000 3.439 1008 E HA -0.195 4.154 4.350 -0.001 0.000 0.149 1008 E C -0.790 175.604 176.600 -0.343 0.000 1.846 1008 E CA 1.094 57.199 56.400 -0.493 0.000 0.770 1008 E CB -1.526 28.061 29.700 -0.188 0.000 1.082 1008 E HN 1.664 nan 8.360 nan 0.000 0.357 1009 F N -1.193 118.626 119.950 -0.219 0.000 2.635 1009 F HA -0.243 4.283 4.527 -0.002 0.000 0.228 1009 F C -0.699 175.038 175.800 -0.106 0.000 1.029 1009 F CA 0.346 58.208 58.000 -0.230 0.000 0.907 1009 F CB -1.011 37.726 39.000 -0.439 0.000 0.893 1009 F HN 0.352 nan 8.300 nan 0.000 0.845 1010 P HA -0.218 nan 4.420 nan 0.000 0.219 1010 P C 1.243 178.628 177.300 0.141 0.000 1.146 1010 P CA 1.994 65.142 63.100 0.080 0.000 0.808 1010 P CB 0.136 31.858 31.700 0.036 0.000 0.779 1011 E N 0.130 120.422 120.200 0.152 0.000 2.511 1011 E HA -0.029 4.320 4.350 -0.001 0.000 0.196 1011 E C 1.597 178.410 176.600 0.355 0.000 1.066 1011 E CA 0.398 56.934 56.400 0.225 0.000 0.871 1011 E CB -0.714 29.096 29.700 0.184 0.000 0.863 1011 E HN 0.372 nan 8.360 nan 0.000 0.520 1012 L N -0.543 120.868 121.223 0.313 0.000 2.664 1012 L HA 0.187 4.526 4.340 -0.001 0.000 0.233 1012 L C 1.692 178.962 176.870 0.668 0.000 1.113 1012 L CA -0.203 54.922 54.840 0.477 0.000 0.896 1012 L CB 0.199 42.197 42.059 -0.101 0.000 1.163 1012 L HN 0.120 nan 8.230 nan 0.000 0.497 1013 c N -0.152 118.693 118.600 0.409 0.000 2.539 1013 c HA -0.022 4.547 4.570 -0.001 0.000 0.268 1013 c C 2.547 176.755 174.090 0.198 0.000 1.395 1013 c CA 0.605 57.120 56.329 0.310 0.000 1.757 1013 c CB -0.533 42.092 42.510 0.193 0.000 1.851 1013 c HN 0.478 nan 8.230 nan 0.000 0.545 1014 S N -0.614 115.157 115.700 0.118 0.000 2.607 1014 S HA 0.121 4.590 4.470 -0.001 0.000 0.224 1014 S C -0.213 173.959 174.600 -0.713 0.000 0.969 1014 S CA 0.509 58.501 58.200 -0.346 0.000 0.927 1014 S CB -0.259 62.600 63.200 -0.568 0.000 0.772 1014 S HN 0.700 nan 8.310 nan 0.000 0.533 1015 Y N -0.214 120.144 120.300 0.097 0.000 2.644 1015 Y HA 0.514 5.063 4.550 -0.001 0.000 0.338 1015 Y C -0.034 175.827 175.900 -0.065 0.000 1.119 1015 Y CA -1.432 56.606 58.100 -0.102 0.000 1.060 1015 Y CB 0.790 38.991 38.460 -0.432 0.000 1.294 1015 Y HN -0.301 nan 8.280 nan 0.000 0.472 1016 T N 1.601 116.168 114.554 0.022 0.000 2.756 1016 T HA 0.320 4.669 4.350 -0.001 0.000 0.290 1016 T C -1.168 173.550 174.700 0.029 0.000 0.985 1016 T CA -0.606 61.557 62.100 0.105 0.000 0.955 1016 T CB -0.045 68.868 68.868 0.076 0.000 0.930 1016 T HN 0.360 nan 8.240 nan 0.000 0.451 1017 W N 1.961 123.389 121.300 0.212 0.000 2.448 1017 W HA 0.558 5.217 4.660 -0.001 0.000 0.339 1017 W C 0.561 177.171 176.519 0.152 0.000 1.124 1017 W CA -0.904 56.562 57.345 0.201 0.000 1.262 1017 W CB 0.675 30.215 29.460 0.133 0.000 1.251 1017 W HN 0.521 nan 8.180 nan 0.000 0.597 1018 E N 1.106 121.601 120.200 0.492 0.000 2.256 1018 E HA 0.791 5.140 4.350 -0.001 0.000 0.267 1018 E C -0.971 175.938 176.600 0.515 0.000 0.892 1018 E CA -1.142 55.499 56.400 0.402 0.000 0.775 1018 E CB 2.154 32.068 29.700 0.357 0.000 1.207 1018 E HN 0.425 nan 8.360 nan 0.000 0.420 1019 A N 1.253 124.259 122.820 0.311 0.000 2.515 1019 A HA 0.703 5.023 4.320 -0.001 0.000 0.298 1019 A C -0.938 176.722 177.584 0.126 0.000 1.059 1019 A CA -0.734 51.497 52.037 0.323 0.000 0.698 1019 A CB 1.479 20.721 19.000 0.404 0.000 1.289 1019 A HN 0.422 nan 8.150 nan 0.000 0.404 1020 V N -1.079 118.810 119.914 -0.041 0.000 2.914 1020 V HA 0.837 4.956 4.120 -0.001 0.000 0.314 1020 V C -1.153 174.844 176.094 -0.163 0.000 1.084 1020 V CA -0.653 61.530 62.300 -0.194 0.000 0.963 1020 V CB 2.132 33.648 31.823 -0.512 0.000 1.025 1020 V HN 0.824 nan 8.190 nan 0.000 0.432 1021 D N 2.443 122.645 120.400 -0.330 0.000 2.460 1021 D HA 0.262 4.901 4.640 -0.001 0.000 0.268 1021 D C 1.359 177.518 176.300 -0.234 0.000 1.153 1021 D CA 0.393 54.087 54.000 -0.511 0.000 0.929 1021 D CB 1.288 41.586 40.800 -0.838 0.000 1.015 1021 D HN 0.931 nan 8.370 nan 0.000 0.502 1022 T N 0.698 115.183 114.554 -0.115 0.000 2.759 1022 T HA -0.233 4.116 4.350 -0.001 0.000 0.269 1022 T C 1.633 176.291 174.700 -0.070 0.000 1.042 1022 T CA 1.057 63.110 62.100 -0.080 0.000 1.140 1022 T CB -0.090 68.767 68.868 -0.017 0.000 0.864 1022 T HN 0.276 nan 8.240 nan 0.000 0.455 1023 K N 1.524 121.898 120.400 -0.042 0.000 2.032 1023 K HA -0.083 4.236 4.320 -0.001 0.000 0.209 1023 K C 2.011 178.578 176.600 -0.055 0.000 1.048 1023 K CA 1.933 58.203 56.287 -0.028 0.000 0.927 1023 K CB -0.334 32.173 32.500 0.012 0.000 0.712 1023 K HN 0.559 nan 8.250 nan 0.000 0.441 1024 N N 0.350 118.998 118.700 -0.085 0.000 2.280 1024 N HA 0.010 4.749 4.740 -0.001 0.000 0.192 1024 N C -0.568 174.857 175.510 -0.141 0.000 1.109 1024 N CA -0.215 52.775 53.050 -0.099 0.000 0.855 1024 N CB 0.309 38.741 38.487 -0.091 0.000 0.974 1024 N HN 0.105 nan 8.380 nan 0.000 0.482 1025 N N 0.867 119.473 118.700 -0.158 0.000 2.758 1025 N HA -0.133 4.606 4.740 -0.001 0.000 0.248 1025 N C -1.357 173.996 175.510 -0.262 0.000 1.076 1025 N CA 0.750 53.686 53.050 -0.191 0.000 0.696 1025 N CB -0.407 37.982 38.487 -0.164 0.000 0.979 1025 N HN 0.183 nan 8.380 nan 0.000 0.550 1026 M N 0.604 120.022 119.600 -0.303 0.000 2.294 1026 M HA 0.438 4.917 4.480 -0.001 0.000 0.335 1026 M C -0.110 175.925 176.300 -0.441 0.000 1.079 1026 M CA -0.628 54.423 55.300 -0.415 0.000 0.982 1026 M CB 1.565 33.871 32.600 -0.491 0.000 1.651 1026 M HN 0.224 nan 8.290 nan 0.000 0.437 1027 L N 3.902 124.867 121.223 -0.430 0.000 2.325 1027 L HA 0.551 4.890 4.340 -0.001 0.000 0.281 1027 L C -1.684 175.058 176.870 -0.214 0.000 1.004 1027 L CA -0.493 54.174 54.840 -0.287 0.000 0.823 1027 L CB 1.268 43.195 42.059 -0.220 0.000 1.236 1027 L HN 0.533 nan 8.230 nan 0.000 0.415 1028 Y N 3.638 123.926 120.300 -0.019 0.000 2.334 1028 Y HA 0.497 5.046 4.550 -0.001 0.000 0.328 1028 Y C -0.116 175.815 175.900 0.053 0.000 1.130 1028 Y CA -0.525 57.608 58.100 0.056 0.000 1.163 1028 Y CB 1.422 39.962 38.460 0.134 0.000 1.207 1028 Y HN 0.420 nan 8.280 nan 0.000 0.471 1029 K N 3.136 123.666 120.400 0.217 0.000 2.235 1029 K HA 0.576 4.895 4.320 -0.001 0.000 0.266 1029 K C -1.434 175.230 176.600 0.107 0.000 0.980 1029 K CA -0.148 56.232 56.287 0.156 0.000 0.849 1029 K CB 0.684 33.259 32.500 0.126 0.000 1.098 1029 K HN 0.590 nan 8.250 nan 0.000 0.445 1030 I N 3.250 123.899 120.570 0.131 0.000 2.410 1030 I HA 0.284 4.453 4.170 -0.001 0.000 0.286 1030 I C -0.814 175.447 176.117 0.240 0.000 1.009 1030 I CA -0.828 60.526 61.300 0.089 0.000 1.111 1030 I CB 1.770 39.767 38.000 -0.005 0.000 1.262 1030 I HN 0.517 nan 8.210 nan 0.000 0.443 1031 N N 6.880 125.659 118.700 0.131 0.000 2.573 1031 N HA 0.314 5.053 4.740 -0.001 0.000 0.262 1031 N C 0.709 176.299 175.510 0.133 0.000 1.029 1031 N CA -0.459 52.712 53.050 0.201 0.000 0.882 1031 N CB 0.984 39.546 38.487 0.124 0.000 1.204 1031 N HN 0.418 nan 8.380 nan 0.000 0.519 1032 I N 1.112 121.841 120.570 0.264 0.000 2.623 1032 I HA -0.200 3.969 4.170 -0.001 0.000 0.261 1032 I C 0.902 177.172 176.117 0.255 0.000 1.204 1032 I CA 0.735 62.213 61.300 0.297 0.000 1.444 1032 I CB -1.079 37.123 38.000 0.338 0.000 1.094 1032 I HN 0.601 nan 8.210 nan 0.000 0.451 1033 c N 0.453 119.165 118.600 0.187 0.000 2.881 1033 c HA 0.436 5.005 4.570 -0.001 0.000 0.290 1033 c C 1.598 175.744 174.090 0.094 0.000 1.362 1033 c CA -0.089 56.327 56.329 0.146 0.000 1.757 1033 c CB -0.980 41.608 42.510 0.131 0.000 2.265 1033 c HN 0.675 nan 8.230 nan 0.000 0.600 1034 G N 3.143 111.978 108.800 0.058 0.000 2.393 1034 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.299 1034 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.299 1034 G C -0.137 174.777 174.900 0.023 0.000 0.990 1034 G CA 0.403 45.517 45.100 0.022 0.000 1.118 1034 G HN 0.642 nan 8.290 nan 0.000 0.513 1035 N N -0.228 118.489 118.700 0.027 0.000 2.636 1035 N HA 0.145 4.884 4.740 -0.001 0.000 0.287 1035 N C 1.750 177.265 175.510 0.009 0.000 1.817 1035 N CA 0.302 53.361 53.050 0.015 0.000 0.842 1035 N CB 0.257 38.755 38.487 0.020 0.000 1.353 1035 N HN 0.659 nan 8.380 nan 0.000 0.500 1036 M N -1.994 117.607 119.600 0.001 0.000 2.435 1036 M HA 0.292 4.771 4.480 -0.001 0.000 0.265 1036 M C 0.869 177.150 176.300 -0.032 0.000 1.104 1036 M CA 0.919 56.217 55.300 -0.002 0.000 1.140 1036 M CB 0.111 32.713 32.600 0.004 0.000 1.372 1036 M HN 0.042 nan 8.290 nan 0.000 0.456 1037 G N 2.134 110.905 108.800 -0.049 0.000 2.546 1037 G HA2 -0.118 3.841 3.960 -0.001 0.000 0.285 1037 G HA3 -0.118 3.841 3.960 -0.001 0.000 0.285 1037 G C -0.614 174.216 174.900 -0.116 0.000 1.105 1037 G CA 0.162 45.220 45.100 -0.071 0.000 1.189 1037 G HN 0.675 nan 8.290 nan 0.000 0.534 1038 V N 1.487 121.310 119.914 -0.152 0.000 2.443 1038 V HA 0.692 4.811 4.120 -0.001 0.000 0.272 1038 V C 1.285 177.213 176.094 -0.277 0.000 1.002 1038 V CA 0.448 62.587 62.300 -0.267 0.000 0.840 1038 V CB 0.546 32.184 31.823 -0.309 0.000 1.042 1038 V HN 1.806 nan 8.190 nan 0.000 0.446 1039 A N 4.511 127.178 122.820 -0.254 0.000 1.985 1039 A HA -0.274 4.045 4.320 -0.001 0.000 0.223 1039 A C 1.701 179.158 177.584 -0.213 0.000 1.189 1039 A CA 2.716 54.634 52.037 -0.200 0.000 0.658 1039 A CB -0.319 18.578 19.000 -0.171 0.000 0.820 1039 A HN 0.842 nan 8.150 nan 0.000 0.464 1040 Q N -1.775 117.820 119.800 -0.341 0.000 2.297 1040 Q HA -0.005 4.334 4.340 -0.001 0.000 0.204 1040 Q C 1.923 177.829 176.000 -0.156 0.000 0.962 1040 Q CA 1.409 57.057 55.803 -0.257 0.000 0.879 1040 Q CB -0.632 27.905 28.738 -0.336 0.000 0.947 1040 Q HN 0.721 nan 8.270 nan 0.000 0.462 1041 c N -1.070 117.424 118.600 -0.175 0.000 2.674 1041 c HA 0.580 5.149 4.570 -0.001 0.000 0.276 1041 c C 1.073 175.130 174.090 -0.055 0.000 1.300 1041 c CA 0.539 56.824 56.329 -0.075 0.000 1.732 1041 c CB -0.780 41.698 42.510 -0.054 0.000 2.076 1041 c HN 0.656 nan 8.230 nan 0.000 0.548 1042 G N 1.147 109.901 108.800 -0.075 0.000 2.619 1042 G HA2 -0.076 3.883 3.960 -0.001 0.000 0.686 1042 G HA3 -0.076 3.883 3.960 -0.001 0.000 0.686 1042 G C -1.821 173.052 174.900 -0.044 0.000 1.256 1042 G CA -0.073 44.998 45.100 -0.048 0.000 0.826 1042 G HN -0.019 nan 8.290 nan 0.000 0.619 1043 P HA -0.015 nan 4.420 nan 0.000 0.221 1043 P C 1.450 178.745 177.300 -0.009 0.000 1.150 1043 P CA 1.850 64.936 63.100 -0.022 0.000 0.800 1043 P CB 0.043 31.734 31.700 -0.015 0.000 0.787 1044 S N -2.017 113.683 115.700 -0.000 0.000 2.577 1044 S HA 0.127 4.596 4.470 -0.001 0.000 0.219 1044 S C 0.963 175.566 174.600 0.005 0.000 0.962 1044 S CA -0.409 57.800 58.200 0.015 0.000 0.921 1044 S CB -0.662 62.556 63.200 0.031 0.000 0.789 1044 S HN 0.020 nan 8.310 nan 0.000 0.497 1045 S N 0.996 116.686 115.700 -0.016 0.000 2.531 1045 S HA 0.588 5.057 4.470 -0.001 0.000 0.279 1045 S C 0.994 175.543 174.600 -0.086 0.000 1.305 1045 S CA 0.034 58.212 58.200 -0.037 0.000 1.058 1045 S CB 0.852 64.034 63.200 -0.030 0.000 0.899 1045 S HN 0.573 nan 8.310 nan 0.000 0.493 1046 A N 4.616 127.321 122.820 -0.192 0.000 2.108 1046 A HA 0.441 4.760 4.320 -0.001 0.000 0.206 1046 A C 0.067 177.442 177.584 -0.349 0.000 1.212 1046 A CA 0.087 51.898 52.037 -0.378 0.000 0.843 1046 A CB 0.474 18.910 19.000 -0.941 0.000 0.902 1046 A HN 0.700 nan 8.150 nan 0.000 0.477 1047 V N 0.255 120.022 119.914 -0.246 0.000 2.445 1047 V HA 0.251 4.370 4.120 -0.001 0.000 0.283 1047 V C -0.960 175.141 176.094 0.012 0.000 1.014 1047 V CA -0.916 61.312 62.300 -0.120 0.000 0.852 1047 V CB 0.673 32.420 31.823 -0.127 0.000 1.021 1047 V HN 0.341 nan 8.190 nan 0.000 0.435 1048 c N 7.414 126.052 118.600 0.063 0.000 2.273 1048 c HA 0.702 5.271 4.570 -0.001 0.000 0.328 1048 c C 0.171 174.352 174.090 0.152 0.000 1.275 1048 c CA -0.472 55.921 56.329 0.107 0.000 1.704 1048 c CB 0.274 42.836 42.510 0.087 0.000 2.326 1048 c HN 0.956 nan 8.230 nan 0.000 0.517 1049 M N 6.904 126.567 119.600 0.105 0.000 2.101 1049 M HA 0.308 4.788 4.480 -0.001 0.000 0.340 1049 M C -0.580 175.722 176.300 0.004 0.000 1.057 1049 M CA -0.141 55.096 55.300 -0.105 0.000 0.984 1049 M CB 0.347 32.794 32.600 -0.255 0.000 1.560 1049 M HN 0.916 nan 8.290 nan 0.000 0.435 1050 H N 4.414 123.345 119.070 -0.232 0.000 2.741 1050 H HA 0.114 4.669 4.556 -0.001 0.000 0.282 1050 H C -0.861 174.244 175.328 -0.371 0.000 1.122 1050 H CA -0.695 55.114 56.048 -0.398 0.000 1.293 1050 H CB 0.632 30.128 29.762 -0.444 0.000 1.415 1050 H HN 0.644 nan 8.280 nan 0.000 0.472 1051 D N 6.072 126.403 120.400 -0.114 0.000 2.346 1051 D HA -0.055 4.585 4.640 -0.001 0.000 0.267 1051 D C 1.148 177.242 176.300 -0.343 0.000 1.320 1051 D CA 0.042 53.924 54.000 -0.198 0.000 0.951 1051 D CB 0.482 41.246 40.800 -0.061 0.000 1.079 1051 D HN 0.702 nan 8.370 nan 0.000 0.509 1052 L N 3.184 124.114 121.223 -0.487 0.000 2.362 1052 L HA -0.127 4.213 4.340 -0.001 0.000 0.219 1052 L C 2.174 178.877 176.870 -0.277 0.000 1.134 1052 L CA 0.676 55.204 54.840 -0.521 0.000 0.807 1052 L CB -0.102 41.681 42.059 -0.459 0.000 0.927 1052 L HN 0.272 nan 8.230 nan 0.000 0.447 1053 K N 0.123 120.402 120.400 -0.201 0.000 1.980 1053 K HA -0.093 4.226 4.320 -0.001 0.000 0.208 1053 K C 2.034 178.579 176.600 -0.092 0.000 1.043 1053 K CA 1.881 58.091 56.287 -0.127 0.000 0.938 1053 K CB -0.342 32.095 32.500 -0.105 0.000 0.724 1053 K HN 0.290 nan 8.250 nan 0.000 0.438 1054 T N -1.162 113.349 114.554 -0.073 0.000 3.148 1054 T HA -0.028 4.321 4.350 -0.001 0.000 0.253 1054 T C 0.155 174.839 174.700 -0.026 0.000 1.134 1054 T CA 0.507 62.588 62.100 -0.031 0.000 1.051 1054 T CB -0.259 68.612 68.868 0.006 0.000 0.959 1054 T HN 0.290 nan 8.240 nan 0.000 0.525 1055 D N 1.413 121.775 120.400 -0.063 0.000 2.737 1055 D HA -0.165 4.474 4.640 -0.001 0.000 0.238 1055 D C -0.222 176.069 176.300 -0.015 0.000 1.157 1055 D CA 0.812 54.803 54.000 -0.014 0.000 0.694 1055 D CB -1.319 39.486 40.800 0.008 0.000 1.021 1055 D HN 0.807 nan 8.370 nan 0.000 0.420 1056 S N -0.804 114.860 115.700 -0.060 0.000 2.627 1056 S HA 0.843 5.312 4.470 -0.001 0.000 0.283 1056 S C -0.497 173.900 174.600 -0.338 0.000 1.127 1056 S CA -1.090 57.021 58.200 -0.148 0.000 0.863 1056 S CB 1.416 64.598 63.200 -0.031 0.000 1.121 1056 S HN 0.083 nan 8.310 nan 0.000 0.479 1057 F N 0.368 120.159 119.950 -0.264 0.000 2.492 1057 F HA 0.673 5.199 4.527 -0.002 0.000 0.327 1057 F C -0.105 175.389 175.800 -0.511 0.000 1.079 1057 F CA -0.418 57.445 58.000 -0.228 0.000 0.967 1057 F CB 1.788 40.651 39.000 -0.229 0.000 1.169 1057 F HN 0.672 nan 8.300 nan 0.000 0.472 1058 H N -0.882 118.268 119.070 0.133 0.000 3.083 1058 H HA 0.304 4.859 4.556 -0.001 0.000 0.339 1058 H C -0.605 174.750 175.328 0.045 0.000 1.020 1058 H CA -0.877 55.212 56.048 0.068 0.000 1.360 1058 H CB 1.588 31.369 29.762 0.032 0.000 1.811 1058 H HN 0.517 nan 8.280 nan 0.000 0.493 1059 S N 1.369 117.148 115.700 0.132 0.000 2.576 1059 S HA 0.302 4.771 4.470 -0.001 0.000 0.276 1059 S C 0.910 175.555 174.600 0.075 0.000 1.339 1059 S CA 0.072 58.320 58.200 0.080 0.000 1.039 1059 S CB 0.265 63.493 63.200 0.048 0.000 0.902 1059 S HN 0.735 nan 8.310 nan 0.000 0.516 1060 V N 1.006 120.945 119.914 0.042 0.000 3.261 1060 V HA 0.677 4.796 4.120 -0.001 0.000 0.330 1060 V C 0.221 176.365 176.094 0.084 0.000 1.461 1060 V CA 0.197 62.514 62.300 0.029 0.000 1.127 1060 V CB 0.144 31.865 31.823 -0.171 0.000 1.044 1060 V HN 0.939 nan 8.190 nan 0.000 0.499 1061 G N 0.032 108.872 108.800 0.066 0.000 2.334 1061 G HA2 0.430 4.389 3.960 -0.001 0.000 0.290 1061 G HA3 0.430 4.389 3.960 -0.001 0.000 0.290 1061 G C -2.160 172.758 174.900 0.030 0.000 1.310 1061 G CA -0.272 44.887 45.100 0.097 0.000 1.308 1061 G HN 0.084 nan 8.290 nan 0.000 0.612 1062 D N 1.959 122.449 120.400 0.151 0.000 2.249 1062 D HA 0.308 4.948 4.640 -0.001 0.000 0.246 1062 D C 1.779 178.225 176.300 0.243 0.000 1.114 1062 D CA 0.018 54.094 54.000 0.127 0.000 0.854 1062 D CB 1.868 42.742 40.800 0.124 0.000 1.132 1062 D HN 0.283 nan 8.370 nan 0.000 0.461 1063 S N 3.362 119.150 115.700 0.146 0.000 2.442 1063 S HA -0.126 4.343 4.470 -0.001 0.000 0.236 1063 S C 1.947 176.706 174.600 0.264 0.000 1.007 1063 S CA 0.515 58.874 58.200 0.265 0.000 0.965 1063 S CB -0.162 63.115 63.200 0.128 0.000 0.773 1063 S HN 0.607 nan 8.310 nan 0.000 0.504 1064 L N -0.381 120.945 121.223 0.172 0.000 2.375 1064 L HA 0.238 4.577 4.340 -0.001 0.000 0.215 1064 L C 0.264 177.206 176.870 0.120 0.000 1.108 1064 L CA 0.270 55.184 54.840 0.124 0.000 0.830 1064 L CB -0.188 41.922 42.059 0.085 0.000 0.959 1064 L HN 0.279 nan 8.230 nan 0.000 0.457 1065 L N 0.915 122.230 121.223 0.152 0.000 2.923 1065 L HA 0.235 4.574 4.340 -0.001 0.000 0.231 1065 L C 0.262 177.208 176.870 0.128 0.000 1.300 1065 L CA 0.447 55.361 54.840 0.123 0.000 1.184 1065 L CB -0.332 41.800 42.059 0.122 0.000 1.511 1065 L HN 0.010 nan 8.230 nan 0.000 0.448 1066 K N -0.247 120.204 120.400 0.085 0.000 2.123 1066 K HA 0.737 5.056 4.320 -0.001 0.000 0.248 1066 K C -0.711 175.835 176.600 -0.090 0.000 0.969 1066 K CA -0.355 55.893 56.287 -0.066 0.000 0.882 1066 K CB 1.268 33.745 32.500 -0.039 0.000 1.080 1066 K HN 0.132 nan 8.250 nan 0.000 0.441 1067 T N 0.927 115.378 114.554 -0.173 0.000 2.952 1067 T HA 0.669 5.018 4.350 -0.001 0.000 0.305 1067 T C -1.751 172.881 174.700 -0.113 0.000 1.064 1067 T CA -0.703 61.340 62.100 -0.094 0.000 1.008 1067 T CB 1.676 70.512 68.868 -0.053 0.000 1.078 1067 T HN 0.706 nan 8.240 nan 0.000 0.459 1068 A N 2.068 124.852 122.820 -0.059 0.000 2.549 1068 A HA 0.959 5.278 4.320 -0.001 0.000 0.297 1068 A C -0.504 177.071 177.584 -0.014 0.000 1.061 1068 A CA -0.770 51.249 52.037 -0.030 0.000 0.690 1068 A CB 1.661 20.637 19.000 -0.040 0.000 1.287 1068 A HN 1.144 nan 8.150 nan 0.000 0.402 1069 S N 0.593 116.306 115.700 0.021 0.000 2.638 1069 S HA 0.552 5.021 4.470 -0.001 0.000 0.274 1069 S C 0.919 175.533 174.600 0.024 0.000 1.157 1069 S CA -0.159 58.047 58.200 0.011 0.000 0.826 1069 S CB 1.373 64.595 63.200 0.036 0.000 1.139 1069 S HN 1.106 nan 8.310 nan 0.000 0.474 1070 R N 0.685 121.180 120.500 -0.009 0.000 2.159 1070 R HA -0.145 4.194 4.340 -0.001 0.000 0.252 1070 R C 0.693 177.081 176.300 0.147 0.000 1.144 1070 R CA 2.433 58.528 56.100 -0.009 0.000 0.961 1070 R CB -0.804 29.496 30.300 -0.001 0.000 0.877 1070 R HN 0.678 nan 8.270 nan 0.000 0.444 1071 S N -0.403 115.409 115.700 0.186 0.000 2.602 1071 S HA 0.257 4.726 4.470 -0.001 0.000 0.240 1071 S C -0.639 174.169 174.600 0.346 0.000 0.992 1071 S CA -0.569 57.801 58.200 0.284 0.000 0.971 1071 S CB 0.672 63.986 63.200 0.189 0.000 0.855 1071 S HN 0.244 nan 8.310 nan 0.000 0.481 1072 L N 1.444 122.867 121.223 0.332 0.000 2.543 1072 L HA 0.536 4.875 4.340 -0.001 0.000 0.265 1072 L C -1.823 175.213 176.870 0.278 0.000 0.945 1072 L CA -0.377 54.648 54.840 0.309 0.000 0.869 1072 L CB 1.473 43.638 42.059 0.177 0.000 1.294 1072 L HN 0.066 nan 8.230 nan 0.000 0.405 1073 L N 4.516 125.938 121.223 0.332 0.000 2.305 1073 L HA 0.570 4.909 4.340 -0.001 0.000 0.284 1073 L C -0.557 176.284 176.870 -0.048 0.000 1.013 1073 L CA -0.464 54.464 54.840 0.146 0.000 0.819 1073 L CB 1.806 44.101 42.059 0.394 0.000 1.227 1073 L HN 0.639 nan 8.230 nan 0.000 0.417 1074 E N 3.639 123.677 120.200 -0.270 0.000 2.199 1074 E HA 0.512 4.861 4.350 -0.001 0.000 0.269 1074 E C -1.605 174.729 176.600 -0.443 0.000 0.899 1074 E CA -0.587 55.694 56.400 -0.198 0.000 0.772 1074 E CB 2.476 32.144 29.700 -0.054 0.000 1.155 1074 E HN 0.234 nan 8.360 nan 0.000 0.408 1075 F N 1.648 121.657 119.950 0.097 0.000 2.499 1075 F HA 0.333 4.859 4.527 -0.001 0.000 0.333 1075 F C 0.381 176.226 175.800 0.075 0.000 1.138 1075 F CA -0.586 57.466 58.000 0.087 0.000 0.945 1075 F CB 1.318 40.371 39.000 0.089 0.000 1.181 1075 F HN 0.289 nan 8.300 nan 0.000 0.435 1076 N N 0.548 119.381 118.700 0.223 0.000 2.478 1076 N HA 0.707 5.447 4.740 -0.001 0.000 0.275 1076 N C -0.324 175.277 175.510 0.151 0.000 1.221 1076 N CA -0.517 52.626 53.050 0.155 0.000 0.979 1076 N CB 1.879 40.428 38.487 0.104 0.000 1.202 1076 N HN 0.663 nan 8.380 nan 0.000 0.564 1077 T N -3.509 111.115 114.554 0.116 0.000 2.669 1077 T HA 0.359 4.708 4.350 -0.001 0.000 0.283 1077 T C 0.072 174.820 174.700 0.081 0.000 1.019 1077 T CA -0.624 61.536 62.100 0.099 0.000 1.039 1077 T CB 1.259 70.186 68.868 0.098 0.000 1.374 1077 T HN 0.488 nan 8.240 nan 0.000 0.523 1078 T N -0.876 113.720 114.554 0.070 0.000 3.296 1078 T HA 0.467 4.816 4.350 -0.001 0.000 0.285 1078 T C -0.125 174.611 174.700 0.059 0.000 1.014 1078 T CA -0.377 61.759 62.100 0.060 0.000 0.920 1078 T CB -0.343 68.555 68.868 0.051 0.000 1.143 1078 T HN 0.523 nan 8.240 nan 0.000 0.522 1079 V N 2.859 122.814 119.914 0.068 0.000 2.370 1079 V HA 0.356 4.475 4.120 -0.001 0.000 0.279 1079 V C 0.309 176.443 176.094 0.068 0.000 1.029 1079 V CA -1.211 61.131 62.300 0.070 0.000 0.870 1079 V CB 0.936 32.809 31.823 0.084 0.000 0.984 1079 V HN 0.456 nan 8.190 nan 0.000 0.451 1089 Q N 3.113 123.003 119.800 0.151 0.000 2.738 1089 Q HA 0.689 5.028 4.340 -0.001 0.000 0.301 1089 Q C -1.914 174.196 176.000 0.183 0.000 0.901 1089 Q CA -0.991 54.904 55.803 0.153 0.000 0.756 1089 Q CB 2.341 31.145 28.738 0.109 0.000 1.463 1089 Q HN 0.458 nan 8.270 nan 0.000 0.432 1090 S N 0.380 116.212 115.700 0.221 0.000 2.566 1090 S HA 0.746 5.215 4.470 -0.001 0.000 0.298 1090 S C -1.383 173.355 174.600 0.231 0.000 1.083 1090 S CA -0.645 57.717 58.200 0.270 0.000 0.978 1090 S CB 1.850 65.246 63.200 0.325 0.000 1.073 1090 S HN 0.517 nan 8.310 nan 0.000 0.491 1091 S N 2.139 117.962 115.700 0.205 0.000 2.672 1091 S HA 0.664 5.133 4.470 -0.001 0.000 0.291 1091 S C -1.305 173.471 174.600 0.294 0.000 1.145 1091 S CA -0.645 57.671 58.200 0.192 0.000 1.013 1091 S CB 0.108 63.363 63.200 0.092 0.000 1.017 1091 S HN 0.587 nan 8.310 nan 0.000 0.487 1092 I N 3.991 124.698 120.570 0.229 0.000 2.418 1092 I HA 0.321 4.490 4.170 -0.001 0.000 0.287 1092 I C -0.199 175.894 176.117 -0.041 0.000 1.008 1092 I CA -0.584 60.765 61.300 0.081 0.000 1.104 1092 I CB 2.259 40.229 38.000 -0.050 0.000 1.264 1092 I HN 0.431 nan 8.210 nan 0.000 0.438 1093 T N 6.199 120.707 114.554 -0.075 0.000 2.744 1093 T HA 0.488 4.837 4.350 -0.001 0.000 0.291 1093 T C -0.419 174.177 174.700 -0.172 0.000 0.957 1093 T CA -0.162 61.926 62.100 -0.019 0.000 1.002 1093 T CB 0.225 69.112 68.868 0.033 0.000 0.919 1093 T HN 0.106 nan 8.240 nan 0.000 0.468 1094 F N 3.053 123.025 119.950 0.036 0.000 2.404 1094 F HA 0.632 5.158 4.527 -0.002 0.000 0.339 1094 F C 0.233 176.053 175.800 0.034 0.000 1.105 1094 F CA -0.993 56.990 58.000 -0.028 0.000 1.087 1094 F CB 0.940 39.827 39.000 -0.190 0.000 1.143 1094 F HN 0.212 nan 8.300 nan 0.000 0.491 1095 L N 2.608 123.947 121.223 0.193 0.000 2.422 1095 L HA 0.382 4.721 4.340 -0.001 0.000 0.264 1095 L C -0.729 176.240 176.870 0.164 0.000 0.984 1095 L CA -0.986 53.942 54.840 0.148 0.000 0.819 1095 L CB 2.082 44.191 42.059 0.083 0.000 1.330 1095 L HN 0.670 nan 8.230 nan 0.000 0.410 1096 c N 2.070 120.779 118.600 0.181 0.000 2.596 1096 c HA 0.577 5.146 4.570 -0.001 0.000 0.414 1096 c C 0.871 175.159 174.090 0.330 0.000 1.396 1096 c CA 0.261 56.753 56.329 0.272 0.000 1.698 1096 c CB -1.141 41.562 42.510 0.321 0.000 2.572 1096 c HN 0.887 nan 8.230 nan 0.000 0.604 1097 G N 4.278 113.300 108.800 0.370 0.000 2.680 1097 G HA2 0.460 4.420 3.960 -0.001 0.000 0.290 1097 G HA3 0.460 4.420 3.960 -0.001 0.000 0.290 1097 G C -0.332 174.724 174.900 0.260 0.000 1.355 1097 G CA -0.532 44.786 45.100 0.364 0.000 0.903 1097 G HN 0.746 nan 8.290 nan 0.000 0.474 1098 K N -0.622 119.835 120.400 0.095 0.000 2.374 1098 K HA 0.197 4.517 4.320 -0.001 0.000 0.196 1098 K C 0.495 177.033 176.600 -0.103 0.000 1.023 1098 K CA 0.343 56.494 56.287 -0.227 0.000 1.103 1098 K CB 0.585 32.811 32.500 -0.457 0.000 0.848 1098 K HN 0.636 nan 8.250 nan 0.000 0.528 1099 T N -3.867 110.693 114.554 0.010 0.000 2.865 1099 T HA 0.281 4.630 4.350 -0.001 0.000 0.294 1099 T C 0.848 175.603 174.700 0.093 0.000 1.119 1099 T CA -0.901 61.222 62.100 0.038 0.000 1.007 1099 T CB 1.134 70.020 68.868 0.030 0.000 1.225 1099 T HN -0.150 nan 8.240 nan 0.000 0.515 1100 L N 0.959 122.260 121.223 0.130 0.000 2.127 1100 L HA 0.167 4.506 4.340 -0.001 0.000 0.211 1100 L C 1.818 178.830 176.870 0.237 0.000 1.089 1100 L CA 1.996 56.945 54.840 0.182 0.000 0.757 1100 L CB -1.257 40.982 42.059 0.301 0.000 0.899 1100 L HN 1.268 nan 8.230 nan 0.000 0.434 1101 G N -0.183 108.740 108.800 0.205 0.000 2.598 1101 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.244 1101 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.244 1101 G C -0.072 174.893 174.900 0.109 0.000 1.302 1101 G CA 0.007 45.201 45.100 0.156 0.000 0.903 1101 G HN 0.514 nan 8.290 nan 0.000 0.575 1102 T N -2.114 112.313 114.554 -0.211 0.000 2.932 1102 T HA 0.697 5.046 4.350 -0.001 0.000 0.318 1102 T C -3.335 170.669 174.700 -1.159 0.000 1.265 1102 T CA -0.522 61.135 62.100 -0.737 0.000 1.036 1102 T CB 3.084 71.384 68.868 -0.946 0.000 1.209 1102 T HN 0.849 nan 8.240 nan 0.000 0.484 1103 P HA 0.337 nan 4.420 nan 0.000 0.282 1103 P C -0.660 176.425 177.300 -0.358 0.000 1.274 1103 P CA -0.099 62.300 63.100 -1.168 0.000 0.770 1103 P CB 0.701 31.619 31.700 -1.303 0.000 0.867 1104 E N 2.764 122.871 120.200 -0.155 0.000 2.249 1104 E HA 0.229 4.578 4.350 -0.001 0.000 0.280 1104 E C -0.427 176.261 176.600 0.146 0.000 1.016 1104 E CA -0.796 55.624 56.400 0.032 0.000 0.830 1104 E CB 0.966 30.662 29.700 -0.008 0.000 1.081 1104 E HN 0.397 nan 8.360 nan 0.000 0.395 1105 F N 3.162 123.139 119.950 0.045 0.000 2.456 1105 F HA 0.054 4.581 4.527 -0.001 0.000 0.358 1105 F C 0.570 176.255 175.800 -0.193 0.000 1.095 1105 F CA -0.057 57.821 58.000 -0.204 0.000 1.216 1105 F CB 0.517 39.428 39.000 -0.148 0.000 1.125 1105 F HN 0.162 nan 8.300 nan 0.000 0.549 1106 V N 3.074 122.328 119.914 -1.100 0.000 2.695 1106 V HA 0.203 4.322 4.120 -0.001 0.000 0.230 1106 V C 0.600 176.031 176.094 -1.105 0.000 1.110 1106 V CA 1.117 62.955 62.300 -0.770 0.000 1.159 1106 V CB 0.033 31.576 31.823 -0.467 0.000 0.875 1106 V HN 0.854 nan 8.190 nan 0.000 0.502 1107 T N -1.645 112.163 114.554 -1.243 0.000 2.711 1107 T HA 0.726 5.075 4.350 -0.001 0.000 0.302 1107 T C -2.145 172.293 174.700 -0.437 0.000 1.373 1107 T CA 0.117 61.768 62.100 -0.749 0.000 1.000 1107 T CB 1.790 70.491 68.868 -0.278 0.000 1.483 1107 T HN 0.669 nan 8.240 nan 0.000 0.499 1108 A N 1.972 124.790 122.820 -0.003 0.000 2.476 1108 A HA 0.643 4.962 4.320 -0.001 0.000 0.280 1108 A C 0.404 177.965 177.584 -0.038 0.000 1.081 1108 A CA -0.028 51.987 52.037 -0.036 0.000 0.753 1108 A CB 0.754 19.764 19.000 0.016 0.000 1.248 1108 A HN 1.102 nan 8.150 nan 0.000 0.424 1109 T N -0.464 114.082 114.554 -0.013 0.000 3.449 1109 T HA 0.160 4.509 4.350 -0.001 0.000 0.387 1109 T C 0.554 175.229 174.700 -0.042 0.000 1.222 1109 T CA 1.069 63.177 62.100 0.014 0.000 1.008 1109 T CB 0.081 69.002 68.868 0.088 0.000 1.688 1109 T HN 0.439 nan 8.240 nan 0.000 0.542 1110 D N -0.602 119.793 120.400 -0.008 0.000 2.213 1110 D HA 0.077 4.716 4.640 -0.001 0.000 0.205 1110 D C 1.624 177.928 176.300 0.006 0.000 0.961 1110 D CA 0.719 54.717 54.000 -0.004 0.000 0.853 1110 D CB -0.196 40.612 40.800 0.014 0.000 0.967 1110 D HN 0.507 nan 8.370 nan 0.000 0.496 1111 C N 0.627 119.934 119.300 0.011 0.000 3.642 1111 C HA 0.293 4.752 4.460 -0.001 0.000 0.305 1111 C C 0.340 175.359 174.990 0.048 0.000 1.492 1111 C CA -0.412 58.636 59.018 0.050 0.000 1.809 1111 C CB 0.694 28.468 27.740 0.056 0.000 2.639 1111 C HN -0.083 nan 8.230 nan 0.000 0.672 1112 V N 0.632 120.509 119.914 -0.063 0.000 2.656 1112 V HA 0.427 4.546 4.120 -0.001 0.000 0.307 1112 V C -1.278 174.598 176.094 -0.363 0.000 1.051 1112 V CA -0.409 61.778 62.300 -0.189 0.000 0.893 1112 V CB 1.535 33.108 31.823 -0.416 0.000 0.999 1112 V HN 0.326 nan 8.190 nan 0.000 0.426 1113 H N 3.246 122.185 119.070 -0.218 0.000 2.595 1113 H HA 0.586 5.141 4.556 -0.001 0.000 0.313 1113 H C -1.170 173.972 175.328 -0.309 0.000 1.023 1113 H CA -0.345 55.641 56.048 -0.104 0.000 1.218 1113 H CB 0.672 30.576 29.762 0.237 0.000 1.403 1113 H HN 0.569 nan 8.280 nan 0.000 0.477 1114 Y N 2.781 122.900 120.300 -0.302 0.000 2.334 1114 Y HA 0.446 4.995 4.550 -0.001 0.000 0.328 1114 Y C -0.359 175.074 175.900 -0.779 0.000 1.130 1114 Y CA -0.473 57.424 58.100 -0.338 0.000 1.163 1114 Y CB 0.900 39.180 38.460 -0.301 0.000 1.207 1114 Y HN 0.457 nan 8.280 nan 0.000 0.471 1115 F N 0.344 120.278 119.950 -0.026 0.000 2.629 1115 F HA 0.467 4.993 4.527 -0.002 0.000 0.316 1115 F C -0.487 175.241 175.800 -0.121 0.000 1.081 1115 F CA -1.159 56.771 58.000 -0.116 0.000 0.954 1115 F CB 2.185 41.115 39.000 -0.117 0.000 1.337 1115 F HN 0.331 nan 8.300 nan 0.000 0.474 1116 E N 1.006 121.230 120.200 0.039 0.000 2.256 1116 E HA 0.241 4.590 4.350 -0.001 0.000 0.268 1116 E C -2.194 174.380 176.600 -0.044 0.000 0.877 1116 E CA -0.673 55.708 56.400 -0.033 0.000 0.757 1116 E CB 1.808 31.489 29.700 -0.032 0.000 1.183 1116 E HN 0.582 nan 8.360 nan 0.000 0.418 1117 W N 5.933 127.032 121.300 -0.335 0.000 2.543 1117 W HA 0.384 5.043 4.660 -0.001 0.000 0.318 1117 W C -1.112 175.287 176.519 -0.200 0.000 1.002 1117 W CA -1.000 56.136 57.345 -0.348 0.000 1.302 1117 W CB 0.939 30.018 29.460 -0.634 0.000 1.299 1117 W HN 0.540 nan 8.180 nan 0.000 0.424 1118 R N 3.354 124.004 120.500 0.249 0.000 2.210 1118 R HA 0.428 4.767 4.340 -0.001 0.000 0.338 1118 R C 0.043 176.470 176.300 0.212 0.000 1.062 1118 R CA 0.090 56.288 56.100 0.163 0.000 0.902 1118 R CB 1.535 31.873 30.300 0.064 0.000 1.050 1118 R HN 0.287 nan 8.270 nan 0.000 0.461 1119 T N -0.284 114.348 114.554 0.130 0.000 2.889 1119 T HA 0.078 4.427 4.350 -0.001 0.000 0.315 1119 T C 1.252 176.013 174.700 0.102 0.000 1.291 1119 T CA -0.585 61.549 62.100 0.058 0.000 1.028 1119 T CB 1.582 70.297 68.868 -0.254 0.000 1.235 1119 T HN 0.658 nan 8.240 nan 0.000 0.491 1120 T N 0.902 115.523 114.554 0.113 0.000 2.977 1120 T HA 0.050 4.399 4.350 -0.001 0.000 0.271 1120 T C 1.994 176.780 174.700 0.143 0.000 1.105 1120 T CA 1.176 63.377 62.100 0.169 0.000 1.116 1120 T CB -0.394 68.556 68.868 0.138 0.000 0.878 1120 T HN 0.718 nan 8.240 nan 0.000 0.509 1121 A N 0.821 123.685 122.820 0.073 0.000 2.167 1121 A HA 0.671 4.990 4.320 -0.001 0.000 0.214 1121 A C 2.287 179.993 177.584 0.202 0.000 1.151 1121 A CA 0.731 52.825 52.037 0.095 0.000 0.735 1121 A CB -0.579 18.432 19.000 0.018 0.000 0.802 1121 A HN 0.727 nan 8.150 nan 0.000 0.467 1122 A N -1.443 121.483 122.820 0.178 0.000 2.465 1122 A HA 0.416 4.735 4.320 -0.001 0.000 0.255 1122 A C 0.460 178.157 177.584 0.188 0.000 1.274 1122 A CA -0.148 52.045 52.037 0.261 0.000 0.920 1122 A CB -0.691 18.461 19.000 0.252 0.000 1.033 1122 A HN 0.410 nan 8.150 nan 0.000 0.516 1123 c N 0.125 118.820 118.600 0.157 0.000 2.398 1123 c HA 0.284 4.853 4.570 -0.001 0.000 0.364 1123 c C 1.720 175.825 174.090 0.026 0.000 1.219 1123 c CA -0.510 55.889 56.329 0.117 0.000 2.312 1123 c CB 0.944 43.549 42.510 0.158 0.000 2.428 1123 c HN 0.639 nan 8.230 nan 0.000 0.564 1124 K N 0.391 120.784 120.400 -0.012 0.000 2.283 1124 K HA -0.049 4.270 4.320 -0.001 0.000 0.202 1124 K C 0.245 176.801 176.600 -0.073 0.000 1.048 1124 K CA 1.111 57.374 56.287 -0.040 0.000 0.948 1124 K CB 0.067 32.544 32.500 -0.037 0.000 0.742 1124 K HN 0.585 nan 8.250 nan 0.000 0.458 1125 K N 0.528 120.854 120.400 -0.123 0.000 2.270 1125 K HA 0.216 4.535 4.320 -0.001 0.000 0.255 1125 K C -0.253 176.291 176.600 -0.092 0.000 0.936 1125 K CA -0.302 55.904 56.287 -0.135 0.000 0.809 1125 K CB 1.574 33.943 32.500 -0.218 0.000 1.131 1125 K HN -0.003 nan 8.250 nan 0.000 0.427 1126 N N 1.272 119.947 118.700 -0.041 0.000 2.512 1126 N HA -0.116 4.623 4.740 -0.001 0.000 0.183 1126 N C 1.282 176.819 175.510 0.045 0.000 1.073 1126 N CA 0.136 53.192 53.050 0.010 0.000 0.911 1126 N CB 0.018 38.508 38.487 0.005 0.000 0.964 1126 N HN 0.431 nan 8.380 nan 0.000 0.447 1127 I N 0.153 120.732 120.570 0.016 0.000 2.850 1127 I HA -0.157 4.012 4.170 -0.001 0.000 0.266 1127 I C 0.770 177.051 176.117 0.273 0.000 1.257 1127 I CA 0.995 62.344 61.300 0.082 0.000 1.465 1127 I CB -0.248 37.768 38.000 0.027 0.000 1.091 1127 I HN 0.077 nan 8.210 nan 0.000 0.467 1128 F N 0.740 120.687 119.950 -0.004 0.000 2.446 1128 F HA 0.208 4.734 4.527 -0.001 0.000 0.292 1128 F C 1.277 177.083 175.800 0.009 0.000 1.096 1128 F CA -0.050 57.945 58.000 -0.008 0.000 1.438 1128 F CB -0.713 38.289 39.000 0.003 0.000 1.107 1128 F HN -0.096 nan 8.300 nan 0.000 0.546 1129 K N 1.285 121.812 120.400 0.211 0.000 2.447 1129 K HA 0.302 4.621 4.320 -0.001 0.000 0.281 1129 K C 0.264 176.922 176.600 0.097 0.000 1.031 1129 K CA -0.160 56.206 56.287 0.132 0.000 1.019 1129 K CB 0.580 33.143 32.500 0.104 0.000 0.918 1129 K HN 0.024 nan 8.250 nan 0.000 0.476 1130 A N 2.505 125.376 122.820 0.085 0.000 2.351 1130 A HA 0.010 4.329 4.320 -0.001 0.000 0.257 1130 A C 1.175 178.804 177.584 0.074 0.000 1.087 1130 A CA -0.391 51.688 52.037 0.069 0.000 0.798 1130 A CB 0.258 19.301 19.000 0.071 0.000 1.033 1130 A HN 1.018 nan 8.150 nan 0.000 0.488 1131 N N -0.407 118.330 118.700 0.060 0.000 2.104 1131 N HA -0.142 4.597 4.740 -0.001 0.000 0.190 1131 N C -0.000 175.557 175.510 0.078 0.000 1.024 1131 N CA 1.437 54.523 53.050 0.060 0.000 0.853 1131 N CB -0.021 38.492 38.487 0.044 0.000 1.008 1131 N HN 0.475 nan 8.380 nan 0.000 0.424 1132 K N 0.839 121.291 120.400 0.086 0.000 2.616 1132 K HA 0.252 4.571 4.320 -0.001 0.000 0.255 1132 K C -2.019 174.658 176.600 0.129 0.000 0.995 1132 K CA -0.427 55.929 56.287 0.116 0.000 0.860 1132 K CB 1.393 33.958 32.500 0.109 0.000 1.264 1132 K HN 0.116 nan 8.250 nan 0.000 0.451 1133 E N 2.956 123.249 120.200 0.154 0.000 2.317 1133 E HA 0.639 4.988 4.350 -0.001 0.000 0.270 1133 E C -1.082 175.591 176.600 0.122 0.000 0.885 1133 E CA -1.108 55.379 56.400 0.145 0.000 0.760 1133 E CB 1.839 31.622 29.700 0.139 0.000 1.227 1133 E HN 0.412 nan 8.360 nan 0.000 0.434 1134 V N 0.080 120.021 119.914 0.045 0.000 3.113 1134 V HA 0.697 4.816 4.120 -0.001 0.000 0.316 1134 V C -2.698 173.287 176.094 -0.182 0.000 1.125 1134 V CA -2.653 59.520 62.300 -0.212 0.000 1.026 1134 V CB 1.277 33.027 31.823 -0.121 0.000 1.080 1134 V HN 0.577 nan 8.190 nan 0.000 0.444 1135 P HA 0.189 nan 4.420 nan 0.000 0.264 1135 P C -0.370 176.939 177.300 0.015 0.000 1.193 1135 P CA 0.183 63.179 63.100 -0.172 0.000 0.763 1135 P CB 0.471 31.812 31.700 -0.598 0.000 0.810 1136 c N 5.761 124.477 118.600 0.194 0.000 2.534 1136 c HA 0.465 5.034 4.570 -0.001 0.000 0.285 1136 c C -0.717 173.459 174.090 0.143 0.000 1.505 1136 c CA -0.245 56.129 56.329 0.075 0.000 1.715 1136 c CB -2.320 40.197 42.510 0.011 0.000 2.935 1136 c HN 0.636 nan 8.230 nan 0.000 0.540 1137 Y N -1.610 118.612 120.300 -0.131 0.000 2.713 1137 Y HA 0.796 5.346 4.550 -0.001 0.000 0.335 1137 Y C -0.904 174.904 175.900 -0.153 0.000 1.222 1137 Y CA -0.754 57.254 58.100 -0.153 0.000 1.061 1137 Y CB 0.821 39.183 38.460 -0.164 0.000 1.314 1137 Y HN 0.154 nan 8.280 nan 0.000 0.453 1138 A N 1.539 124.140 122.820 -0.366 0.000 2.555 1138 A HA 0.652 4.971 4.320 -0.001 0.000 0.297 1138 A C -2.225 175.225 177.584 -0.222 0.000 1.060 1138 A CA -0.658 51.127 52.037 -0.420 0.000 0.710 1138 A CB 0.686 19.532 19.000 -0.255 0.000 1.282 1138 A HN 0.599 nan 8.150 nan 0.000 0.399 1139 F N 1.738 121.673 119.950 -0.026 0.000 2.375 1139 F HA 0.456 4.982 4.527 -0.001 0.000 0.333 1139 F C 0.975 176.818 175.800 0.073 0.000 1.104 1139 F CA 0.327 58.386 58.000 0.098 0.000 1.149 1139 F CB 1.333 40.374 39.000 0.068 0.000 1.190 1139 F HN 0.772 nan 8.300 nan 0.000 0.533 1140 D N 0.598 121.198 120.400 0.333 0.000 2.564 1140 D HA 0.339 4.978 4.640 -0.001 0.000 0.273 1140 D C 0.797 177.175 176.300 0.131 0.000 1.192 1140 D CA -0.619 53.488 54.000 0.178 0.000 1.080 1140 D CB 0.478 41.412 40.800 0.224 0.000 1.160 1140 D HN 0.308 nan 8.370 nan 0.000 0.607 1141 R N -0.566 119.976 120.500 0.071 0.000 2.159 1141 R HA -0.057 4.282 4.340 -0.001 0.000 0.237 1141 R C 1.124 177.435 176.300 0.018 0.000 1.131 1141 R CA 1.349 57.468 56.100 0.033 0.000 0.982 1141 R CB -0.372 29.938 30.300 0.015 0.000 0.868 1141 R HN 0.571 nan 8.270 nan 0.000 0.453 1142 E N 0.671 120.891 120.200 0.035 0.000 2.403 1142 E HA 0.116 4.465 4.350 -0.001 0.000 0.188 1142 E C -0.260 176.350 176.600 0.017 0.000 1.056 1142 E CA -0.111 56.291 56.400 0.002 0.000 0.892 1142 E CB 0.225 29.912 29.700 -0.022 0.000 1.049 1142 E HN 0.166 nan 8.360 nan 0.000 0.465 1143 L N 0.429 121.689 121.223 0.062 0.000 3.843 1143 L HA -0.288 4.051 4.340 -0.001 0.000 0.411 1143 L C -0.426 176.593 176.870 0.249 0.000 1.205 1143 L CA 0.844 55.733 54.840 0.082 0.000 0.945 1143 L CB -1.494 40.515 42.059 -0.083 0.000 1.929 1143 L HN 0.144 nan 8.230 nan 0.000 0.934 1144 K N 0.765 121.324 120.400 0.265 0.000 2.185 1144 K HA 0.457 4.776 4.320 -0.001 0.000 0.269 1144 K C 0.176 176.912 176.600 0.226 0.000 0.987 1144 K CA -0.668 55.730 56.287 0.184 0.000 0.865 1144 K CB 1.910 34.379 32.500 -0.051 0.000 1.090 1144 K HN -0.004 nan 8.250 nan 0.000 0.450 1145 K N 2.951 123.413 120.400 0.103 0.000 2.249 1145 K HA 0.120 4.439 4.320 -0.001 0.000 0.280 1145 K C -0.853 175.620 176.600 -0.211 0.000 1.033 1145 K CA -0.416 55.763 56.287 -0.180 0.000 0.946 1145 K CB 0.574 32.904 32.500 -0.283 0.000 1.005 1145 K HN 0.662 nan 8.250 nan 0.000 0.469 1146 H N 3.039 122.054 119.070 -0.091 0.000 2.685 1146 H HA 0.130 4.685 4.556 -0.001 0.000 0.307 1146 H C -1.152 174.144 175.328 -0.054 0.000 1.017 1146 H CA -0.759 55.267 56.048 -0.037 0.000 1.237 1146 H CB 1.350 31.086 29.762 -0.045 0.000 1.409 1146 H HN 0.587 nan 8.280 nan 0.000 0.488 1147 D N 3.785 124.210 120.400 0.041 0.000 2.408 1147 D HA 0.118 4.757 4.640 -0.001 0.000 0.243 1147 D C 0.161 176.442 176.300 -0.032 0.000 1.075 1147 D CA -0.622 53.388 54.000 0.016 0.000 0.832 1147 D CB 1.561 42.346 40.800 -0.025 0.000 1.162 1147 D HN 0.261 nan 8.370 nan 0.000 0.515 1148 L N 3.739 124.890 121.223 -0.120 0.000 2.628 1148 L HA 0.246 4.585 4.340 -0.001 0.000 0.229 1148 L C 1.665 178.399 176.870 -0.227 0.000 1.137 1148 L CA 0.110 54.801 54.840 -0.250 0.000 0.909 1148 L CB -0.904 40.868 42.059 -0.478 0.000 1.137 1148 L HN 0.341 nan 8.230 nan 0.000 0.470 1149 N N 0.671 119.290 118.700 -0.135 0.000 2.091 1149 N HA -0.199 4.540 4.740 -0.001 0.000 0.193 1149 N C -0.960 174.463 175.510 -0.146 0.000 1.021 1149 N CA 1.664 54.652 53.050 -0.104 0.000 0.862 1149 N CB -0.821 37.624 38.487 -0.069 0.000 1.018 1149 N HN 0.258 nan 8.380 nan 0.000 0.429 1150 P HA -0.096 nan 4.420 nan 0.000 0.221 1150 P C 0.726 177.811 177.300 -0.358 0.000 1.145 1150 P CA 0.932 63.847 63.100 -0.308 0.000 0.795 1150 P CB 0.114 31.526 31.700 -0.481 0.000 0.775 1151 L N -2.021 118.975 121.223 -0.379 0.000 2.529 1151 L HA 0.116 4.455 4.340 -0.001 0.000 0.223 1151 L C 1.030 177.934 176.870 0.058 0.000 1.113 1151 L CA -0.222 54.499 54.840 -0.198 0.000 0.861 1151 L CB -0.266 41.563 42.059 -0.383 0.000 1.012 1151 L HN -0.090 nan 8.230 nan 0.000 0.461 1152 I N 1.216 121.781 120.570 -0.008 0.000 2.668 1152 I HA -0.070 4.099 4.170 -0.001 0.000 0.285 1152 I C 0.480 176.634 176.117 0.062 0.000 1.168 1152 I CA 0.597 61.936 61.300 0.064 0.000 1.424 1152 I CB 0.247 38.259 38.000 0.020 0.000 1.377 1152 I HN 0.060 nan 8.210 nan 0.000 0.560 1153 K N 4.308 124.763 120.400 0.091 0.000 2.183 1153 K HA 0.251 4.570 4.320 -0.001 0.000 0.274 1153 K C 0.851 177.428 176.600 -0.038 0.000 1.009 1153 K CA -0.316 55.962 56.287 -0.015 0.000 0.888 1153 K CB 1.555 34.001 32.500 -0.090 0.000 1.078 1153 K HN 0.687 nan 8.250 nan 0.000 0.459 1154 T N -2.393 112.112 114.554 -0.082 0.000 3.044 1154 T HA 0.032 4.381 4.350 -0.001 0.000 0.250 1154 T C 0.653 175.297 174.700 -0.093 0.000 1.081 1154 T CA -0.148 61.896 62.100 -0.093 0.000 1.040 1154 T CB 0.308 69.084 68.868 -0.153 0.000 0.962 1154 T HN 0.275 nan 8.240 nan 0.000 0.506 1155 S N 0.049 115.683 115.700 -0.111 0.000 2.721 1155 S HA 0.616 5.085 4.470 -0.001 0.000 0.264 1155 S C 0.146 174.655 174.600 -0.151 0.000 1.161 1155 S CA 0.247 58.378 58.200 -0.116 0.000 1.113 1155 S CB 0.259 63.390 63.200 -0.116 0.000 1.079 1155 S HN 1.241 nan 8.310 nan 0.000 0.479 1156 G N 2.994 111.706 108.800 -0.146 0.000 2.472 1156 G HA2 0.452 4.411 3.960 -0.001 0.000 0.205 1156 G HA3 0.452 4.411 3.960 -0.001 0.000 0.205 1156 G C -0.306 174.469 174.900 -0.208 0.000 1.270 1156 G CA -0.270 44.710 45.100 -0.201 0.000 0.974 1156 G HN 1.815 nan 8.290 nan 0.000 0.542 1157 A N -2.134 120.506 122.820 -0.299 0.000 2.515 1157 A HA 0.848 5.168 4.320 -0.001 0.000 0.299 1157 A C -1.632 175.765 177.584 -0.310 0.000 1.179 1157 A CA -0.513 51.392 52.037 -0.221 0.000 0.656 1157 A CB 0.627 19.569 19.000 -0.097 0.000 1.306 1157 A HN 1.637 nan 8.150 nan 0.000 0.459 1158 Y N 0.103 120.391 120.300 -0.021 0.000 2.387 1158 Y HA 0.531 5.080 4.550 -0.001 0.000 0.336 1158 Y C 0.311 176.233 175.900 0.037 0.000 1.067 1158 Y CA -0.771 57.315 58.100 -0.023 0.000 1.114 1158 Y CB 1.536 39.988 38.460 -0.014 0.000 1.208 1158 Y HN 0.534 nan 8.280 nan 0.000 0.458 1159 L N 4.807 126.138 121.223 0.180 0.000 2.290 1159 L HA 0.406 4.745 4.340 -0.001 0.000 0.284 1159 L C -0.853 176.072 176.870 0.091 0.000 1.078 1159 L CA -0.432 54.563 54.840 0.258 0.000 0.815 1159 L CB 0.677 42.854 42.059 0.197 0.000 1.162 1159 L HN 0.434 nan 8.230 nan 0.000 0.435 1160 V N 5.088 125.042 119.914 0.067 0.000 2.465 1160 V HA 0.189 4.308 4.120 -0.001 0.000 0.279 1160 V C 0.497 176.564 176.094 -0.045 0.000 1.045 1160 V CA -0.893 61.379 62.300 -0.046 0.000 0.938 1160 V CB 1.385 33.183 31.823 -0.041 0.000 0.986 1160 V HN 0.692 nan 8.190 nan 0.000 0.467 1161 D N 4.090 124.445 120.400 -0.076 0.000 2.401 1161 D HA 0.131 4.770 4.640 -0.001 0.000 0.254 1161 D C -0.493 175.785 176.300 -0.037 0.000 1.192 1161 D CA 0.258 54.226 54.000 -0.054 0.000 0.885 1161 D CB 1.050 41.809 40.800 -0.069 0.000 1.147 1161 D HN 0.864 nan 8.370 nan 0.000 0.478 1162 D N 0.241 120.626 120.400 -0.026 0.000 3.096 1162 D HA 0.162 4.801 4.640 -0.001 0.000 0.277 1162 D C 0.404 176.693 176.300 -0.019 0.000 1.256 1162 D CA -0.231 53.759 54.000 -0.017 0.000 1.044 1162 D CB 0.235 41.028 40.800 -0.013 0.000 1.318 1162 D HN 0.304 nan 8.370 nan 0.000 0.622 1163 S N -1.739 113.949 115.700 -0.020 0.000 3.186 1163 S HA 0.114 4.583 4.470 -0.001 0.000 0.253 1163 S C 0.371 174.956 174.600 -0.026 0.000 1.071 1163 S CA 0.080 58.267 58.200 -0.022 0.000 0.796 1163 S CB -0.578 62.608 63.200 -0.022 0.000 0.818 1163 S HN 0.483 nan 8.310 nan 0.000 0.498 1164 D N 4.651 125.032 120.400 -0.031 0.000 2.661 1164 D HA 0.076 4.715 4.640 -0.001 0.000 0.244 1164 D C -1.925 174.352 176.300 -0.038 0.000 1.196 1164 D CA -0.525 53.451 54.000 -0.040 0.000 0.881 1164 D CB 1.098 41.867 40.800 -0.052 0.000 1.141 1164 D HN 0.169 nan 8.370 nan 0.000 0.530 1165 P HA 0.042 nan 4.420 nan 0.000 0.245 1165 P C 0.561 177.844 177.300 -0.029 0.000 1.212 1165 P CA 0.238 63.322 63.100 -0.026 0.000 0.774 1165 P CB 0.509 32.197 31.700 -0.019 0.000 0.999 1166 D N -1.155 119.223 120.400 -0.037 0.000 2.355 1166 D HA 0.026 4.666 4.640 -0.001 0.000 0.206 1166 D C 0.658 176.930 176.300 -0.045 0.000 1.010 1166 D CA 0.964 54.943 54.000 -0.035 0.000 0.875 1166 D CB 0.588 41.365 40.800 -0.037 0.000 0.966 1166 D HN 0.217 nan 8.370 nan 0.000 0.512 1167 T N -1.858 112.657 114.554 -0.065 0.000 2.912 1167 T HA 0.636 4.985 4.350 -0.001 0.000 0.288 1167 T C -0.327 174.296 174.700 -0.130 0.000 1.030 1167 T CA -0.697 61.350 62.100 -0.088 0.000 1.020 1167 T CB 2.436 71.249 68.868 -0.091 0.000 1.056 1167 T HN -0.316 nan 8.240 nan 0.000 0.480 1168 S N 1.761 117.322 115.700 -0.232 0.000 2.605 1168 S HA 0.494 4.963 4.470 -0.001 0.000 0.308 1168 S C -0.752 173.500 174.600 -0.579 0.000 1.113 1168 S CA -0.797 57.172 58.200 -0.385 0.000 1.049 1168 S CB 0.799 63.694 63.200 -0.509 0.000 1.001 1168 S HN 0.716 nan 8.310 nan 0.000 0.480 1169 L N 4.649 125.646 121.223 -0.376 0.000 2.264 1169 L HA 0.558 4.897 4.340 -0.001 0.000 0.289 1169 L C -1.376 175.417 176.870 -0.130 0.000 1.044 1169 L CA -0.365 54.294 54.840 -0.302 0.000 0.807 1169 L CB 0.371 42.324 42.059 -0.176 0.000 1.192 1169 L HN 0.634 nan 8.230 nan 0.000 0.425 1170 F N 5.872 125.797 119.950 -0.040 0.000 2.482 1170 F HA 0.544 5.070 4.527 -0.001 0.000 0.331 1170 F C 0.312 176.125 175.800 0.021 0.000 1.115 1170 F CA -1.023 56.977 58.000 -0.001 0.000 0.955 1170 F CB 1.772 40.768 39.000 -0.007 0.000 1.136 1170 F HN 0.325 nan 8.300 nan 0.000 0.452 1171 I N -0.003 120.747 120.570 0.300 0.000 2.969 1171 I HA 0.660 4.829 4.170 -0.001 0.000 0.307 1171 I C -1.483 174.854 176.117 0.365 0.000 1.149 1171 I CA -0.829 60.631 61.300 0.265 0.000 1.008 1171 I CB 2.328 40.500 38.000 0.286 0.000 1.232 1171 I HN 0.435 nan 8.210 nan 0.000 0.435 1172 N N 2.112 121.002 118.700 0.318 0.000 2.545 1172 N HA 0.682 5.421 4.740 -0.001 0.000 0.289 1172 N C -1.672 174.094 175.510 0.427 0.000 1.279 1172 N CA -0.646 52.629 53.050 0.374 0.000 0.824 1172 N CB 2.473 41.073 38.487 0.188 0.000 1.395 1172 N HN 0.550 nan 8.380 nan 0.000 0.526 1173 V N 1.234 121.377 119.914 0.381 0.000 2.417 1173 V HA 0.284 4.403 4.120 -0.001 0.000 0.291 1173 V C 0.480 176.721 176.094 0.244 0.000 1.024 1173 V CA -0.621 61.875 62.300 0.327 0.000 0.861 1173 V CB 0.619 32.538 31.823 0.160 0.000 0.985 1173 V HN 1.006 nan 8.190 nan 0.000 0.436 1174 c N 3.364 122.147 118.600 0.305 0.000 4.378 1174 c HA -0.163 4.406 4.570 -0.001 0.000 0.279 1174 c C 0.949 175.171 174.090 0.220 0.000 1.481 1174 c CA 1.636 58.103 56.329 0.230 0.000 1.849 1174 c CB -2.664 39.904 42.510 0.095 0.000 1.542 1174 c HN 1.151 nan 8.230 nan 0.000 0.743 1175 R N 0.119 120.747 120.500 0.213 0.000 2.756 1175 R HA 0.584 4.923 4.340 -0.001 0.000 0.273 1175 R C -1.081 175.250 176.300 0.051 0.000 1.030 1175 R CA -0.196 55.980 56.100 0.127 0.000 0.887 1175 R CB 0.229 30.591 30.300 0.104 0.000 1.274 1175 R HN 0.184 nan 8.270 nan 0.000 0.461 1176 D N 0.953 121.368 120.400 0.025 0.000 2.360 1176 D HA 0.138 4.777 4.640 -0.001 0.000 0.242 1176 D C -0.074 176.227 176.300 0.001 0.000 1.184 1176 D CA -0.231 53.761 54.000 -0.014 0.000 0.930 1176 D CB 0.902 41.702 40.800 0.001 0.000 1.161 1176 D HN 0.441 nan 8.370 nan 0.000 0.447 1177 I N 0.772 121.336 120.570 -0.010 0.000 2.337 1177 I HA -0.036 4.133 4.170 -0.001 0.000 0.291 1177 I C 0.890 176.998 176.117 -0.016 0.000 1.046 1177 I CA -0.415 60.881 61.300 -0.006 0.000 1.324 1177 I CB 0.724 38.725 38.000 0.003 0.000 1.409 1177 I HN 0.254 nan 8.210 nan 0.000 0.494 1178 E N 6.876 127.061 120.200 -0.026 0.000 2.081 1178 E HA 0.017 4.366 4.350 -0.001 0.000 0.270 1178 E C 0.712 177.286 176.600 -0.042 0.000 1.180 1178 E CA -0.070 56.314 56.400 -0.028 0.000 0.926 1178 E CB 1.039 30.718 29.700 -0.034 0.000 1.035 1178 E HN 0.545 nan 8.360 nan 0.000 0.418 1179 V N 3.072 122.968 119.914 -0.030 0.000 3.235 1179 V HA -0.034 4.086 4.120 -0.001 0.000 0.259 1179 V C 1.912 177.985 176.094 -0.034 0.000 1.133 1179 V CA 0.444 62.723 62.300 -0.034 0.000 1.128 1179 V CB -0.461 31.353 31.823 -0.016 0.000 0.757 1179 V HN 0.502 nan 8.190 nan 0.000 0.469 1180 L N 0.358 121.564 121.223 -0.027 0.000 1.961 1180 L HA -0.055 4.284 4.340 -0.001 0.000 0.210 1180 L C 2.392 179.242 176.870 -0.032 0.000 1.072 1180 L CA 1.872 56.698 54.840 -0.024 0.000 0.749 1180 L CB -0.394 41.656 42.059 -0.014 0.000 0.889 1180 L HN 0.266 nan 8.230 nan 0.000 0.432 1181 R N 0.108 120.585 120.500 -0.039 0.000 2.586 1181 R HA 0.318 4.657 4.340 -0.001 0.000 0.306 1181 R C 0.117 176.374 176.300 -0.070 0.000 1.079 1181 R CA -0.094 55.978 56.100 -0.047 0.000 1.083 1181 R CB -0.113 30.162 30.300 -0.041 0.000 1.306 1181 R HN 0.159 nan 8.270 nan 0.000 0.567 1182 A N 0.890 123.662 122.820 -0.080 0.000 2.567 1182 A HA 0.048 4.367 4.320 -0.001 0.000 0.240 1182 A C 1.404 178.916 177.584 -0.121 0.000 1.053 1182 A CA 0.486 52.455 52.037 -0.114 0.000 0.755 1182 A CB 0.193 19.117 19.000 -0.125 0.000 0.978 1182 A HN 0.529 nan 8.150 nan 0.000 0.507 1183 S N 1.875 117.487 115.700 -0.146 0.000 2.419 1183 S HA -0.058 4.411 4.470 -0.001 0.000 0.233 1183 S C 1.097 175.615 174.600 -0.136 0.000 1.016 1183 S CA 1.081 59.197 58.200 -0.139 0.000 0.974 1183 S CB -0.353 62.751 63.200 -0.161 0.000 0.786 1183 S HN 1.095 nan 8.310 nan 0.000 0.492 1184 S N 2.101 117.699 115.700 -0.170 0.000 2.525 1184 S HA 0.460 4.929 4.470 -0.001 0.000 0.290 1184 S C -1.466 173.070 174.600 -0.108 0.000 1.152 1184 S CA -1.833 56.272 58.200 -0.157 0.000 1.072 1184 S CB 1.552 64.596 63.200 -0.260 0.000 1.027 1184 S HN 0.117 nan 8.310 nan 0.000 0.500 1185 P HA -0.132 nan 4.420 nan 0.000 0.215 1185 P C 1.093 178.396 177.300 0.005 0.000 1.157 1185 P CA 1.143 64.227 63.100 -0.026 0.000 0.859 1185 P CB 0.094 31.787 31.700 -0.013 0.000 0.786 1186 Q N -0.131 119.699 119.800 0.051 0.000 2.061 1186 Q HA -0.104 4.235 4.340 -0.001 0.000 0.204 1186 Q C 2.407 178.531 176.000 0.206 0.000 0.984 1186 Q CA 1.516 57.417 55.803 0.164 0.000 0.846 1186 Q CB -0.862 28.080 28.738 0.339 0.000 0.902 1186 Q HN 0.073 nan 8.270 nan 0.000 0.421 1187 V N 0.833 120.774 119.914 0.046 0.000 2.324 1187 V HA -0.312 3.807 4.120 -0.001 0.000 0.250 1187 V C 2.210 178.307 176.094 0.005 0.000 1.060 1187 V CA 2.050 64.316 62.300 -0.056 0.000 1.042 1187 V CB -0.533 31.067 31.823 -0.372 0.000 0.650 1187 V HN 0.274 nan 8.190 nan 0.000 0.450 1188 R N -0.354 120.132 120.500 -0.024 0.000 2.170 1188 R HA -0.143 4.196 4.340 -0.001 0.000 0.242 1188 R C 1.894 178.194 176.300 0.001 0.000 1.145 1188 R CA 1.266 57.355 56.100 -0.019 0.000 0.984 1188 R CB -0.460 29.824 30.300 -0.026 0.000 0.869 1188 R HN 0.462 nan 8.270 nan 0.000 0.455 1189 V N -0.239 119.689 119.914 0.022 0.000 3.380 1189 V HA -0.102 4.017 4.120 -0.001 0.000 0.268 1189 V C 0.819 176.915 176.094 0.003 0.000 1.168 1189 V CA 0.289 62.594 62.300 0.007 0.000 1.156 1189 V CB -0.554 31.274 31.823 0.008 0.000 0.785 1189 V HN 0.333 nan 8.190 nan 0.000 0.487 1190 c N 1.512 120.134 118.600 0.037 0.000 2.676 1190 c HA 0.249 4.818 4.570 -0.001 0.000 0.416 1190 c C -1.819 172.275 174.090 0.007 0.000 1.299 1190 c CA -0.890 55.461 56.329 0.036 0.000 2.048 1190 c CB -0.123 42.438 42.510 0.085 0.000 2.713 1190 c HN 0.308 nan 8.230 nan 0.000 0.624 1191 P HA 0.155 nan 4.420 nan 0.000 0.276 1191 P C 0.178 177.481 177.300 0.003 0.000 1.264 1191 P CA 0.205 63.303 63.100 -0.003 0.000 0.769 1191 P CB 0.123 31.823 31.700 0.000 0.000 0.840 1192 T N 0.706 115.261 114.554 0.001 0.000 2.934 1192 T HA 0.210 4.559 4.350 -0.001 0.000 0.321 1192 T C 1.398 176.101 174.700 0.006 0.000 1.080 1192 T CA 0.549 62.651 62.100 0.003 0.000 1.132 1192 T CB -0.097 68.773 68.868 0.004 0.000 1.039 1192 T HN 0.807 nan 8.240 nan 0.000 0.543 1193 G N 1.321 110.124 108.800 0.005 0.000 2.258 1193 G HA2 -0.016 3.943 3.960 -0.001 0.000 0.233 1193 G HA3 -0.016 3.943 3.960 -0.001 0.000 0.233 1193 G C 0.367 175.261 174.900 -0.010 0.000 1.006 1193 G CA -0.035 45.069 45.100 0.007 0.000 0.620 1193 G HN 1.701 nan 8.290 nan 0.000 0.511 1194 A N 0.380 123.190 122.820 -0.017 0.000 2.425 1194 A HA 0.816 5.135 4.320 -0.001 0.000 0.249 1194 A C 1.342 178.868 177.584 -0.096 0.000 1.084 1194 A CA 1.018 53.029 52.037 -0.045 0.000 0.781 1194 A CB 1.006 19.997 19.000 -0.014 0.000 1.019 1194 A HN 1.798 nan 8.150 nan 0.000 0.490 1195 A N 1.355 124.038 122.820 -0.228 0.000 2.288 1195 A HA 0.605 4.924 4.320 -0.001 0.000 0.216 1195 A C 0.912 178.298 177.584 -0.329 0.000 1.199 1195 A CA 0.900 52.705 52.037 -0.388 0.000 0.891 1195 A CB 0.011 18.468 19.000 -0.905 0.000 0.923 1195 A HN 1.992 nan 8.150 nan 0.000 0.500 1196 A N -0.701 121.993 122.820 -0.210 0.000 2.375 1196 A HA 0.544 4.863 4.320 -0.001 0.000 0.295 1196 A C -0.894 176.669 177.584 -0.035 0.000 1.066 1196 A CA -0.294 51.698 52.037 -0.076 0.000 0.722 1196 A CB 0.590 19.561 19.000 -0.048 0.000 1.206 1196 A HN 0.771 nan 8.150 nan 0.000 0.435 1197 c N 4.153 122.761 118.600 0.014 0.000 2.364 1197 c HA 0.763 5.333 4.570 -0.001 0.000 0.324 1197 c C -1.197 172.853 174.090 -0.067 0.000 1.234 1197 c CA -0.600 55.747 56.329 0.031 0.000 1.417 1197 c CB 0.173 42.759 42.510 0.127 0.000 2.101 1197 c HN 0.964 nan 8.230 nan 0.000 0.466 1198 L N 7.017 128.226 121.223 -0.024 0.000 2.287 1198 L HA 0.712 5.051 4.340 -0.001 0.000 0.287 1198 L C -0.532 176.374 176.870 0.061 0.000 1.022 1198 L CA 0.085 54.900 54.840 -0.042 0.000 0.814 1198 L CB 1.558 43.656 42.059 0.066 0.000 1.217 1198 L HN 0.585 nan 8.230 nan 0.000 0.420 1199 V N 6.369 126.205 119.914 -0.131 0.000 2.370 1199 V HA 0.654 4.773 4.120 -0.001 0.000 0.283 1199 V C -0.131 175.951 176.094 -0.021 0.000 1.023 1199 V CA -0.599 61.651 62.300 -0.084 0.000 0.857 1199 V CB 1.468 33.187 31.823 -0.174 0.000 0.985 1199 V HN 0.813 nan 8.190 nan 0.000 0.443 1200 R N 3.471 124.015 120.500 0.075 0.000 2.604 1200 R HA 0.514 4.853 4.340 -0.001 0.000 0.270 1200 R C 0.591 176.943 176.300 0.087 0.000 1.052 1200 R CA 0.122 56.273 56.100 0.086 0.000 0.902 1200 R CB 1.891 32.278 30.300 0.144 0.000 1.233 1200 R HN 0.965 nan 8.270 nan 0.000 0.455 1201 G N 3.102 111.931 108.800 0.048 0.000 2.361 1201 G HA2 -0.344 3.615 3.960 -0.001 0.000 0.294 1201 G HA3 -0.344 3.615 3.960 -0.001 0.000 0.294 1201 G C 0.317 175.230 174.900 0.022 0.000 1.004 1201 G CA 1.513 46.639 45.100 0.042 0.000 0.870 1201 G HN 1.117 nan 8.290 nan 0.000 0.510 1202 D N -2.336 118.065 120.400 0.002 0.000 2.945 1202 D HA -0.193 4.446 4.640 -0.001 0.000 0.225 1202 D C 0.645 176.902 176.300 -0.072 0.000 1.158 1202 D CA 1.701 55.687 54.000 -0.024 0.000 0.805 1202 D CB -0.576 40.215 40.800 -0.015 0.000 1.098 1202 D HN 0.835 nan 8.370 nan 0.000 0.426 1203 R N 0.032 120.468 120.500 -0.106 0.000 2.320 1203 R HA 0.705 5.044 4.340 -0.001 0.000 0.319 1203 R C -0.283 175.679 176.300 -0.563 0.000 0.969 1203 R CA -0.270 55.635 56.100 -0.325 0.000 0.857 1203 R CB 1.738 31.871 30.300 -0.277 0.000 1.160 1203 R HN 0.155 nan 8.270 nan 0.000 0.491 1204 A N 4.013 126.537 122.820 -0.493 0.000 2.331 1204 A HA 0.644 4.963 4.320 -0.001 0.000 0.283 1204 A C -0.767 176.490 177.584 -0.545 0.000 1.142 1204 A CA -0.188 51.636 52.037 -0.354 0.000 0.812 1204 A CB 0.246 19.164 19.000 -0.137 0.000 1.074 1204 A HN 0.582 nan 8.150 nan 0.000 0.497 1205 F N 0.643 120.612 119.950 0.032 0.000 2.551 1205 F HA 0.338 4.864 4.527 -0.001 0.000 0.316 1205 F C 0.169 175.972 175.800 0.005 0.000 1.089 1205 F CA -0.844 57.171 58.000 0.024 0.000 0.915 1205 F CB 1.834 40.864 39.000 0.050 0.000 1.186 1205 F HN 0.538 nan 8.300 nan 0.000 0.456 1206 D N 1.927 122.434 120.400 0.179 0.000 2.339 1206 D HA 0.114 4.753 4.640 -0.001 0.000 0.241 1206 D C -0.047 176.312 176.300 0.098 0.000 1.183 1206 D CA 0.428 54.484 54.000 0.093 0.000 0.859 1206 D CB 1.697 42.533 40.800 0.060 0.000 1.067 1206 D HN 0.423 nan 8.370 nan 0.000 0.484 1207 V N 3.215 123.168 119.914 0.064 0.000 3.319 1207 V HA 0.477 4.596 4.120 -0.001 0.000 0.317 1207 V C 0.246 176.390 176.094 0.084 0.000 1.411 1207 V CA 0.722 63.065 62.300 0.072 0.000 1.112 1207 V CB -0.105 31.715 31.823 -0.003 0.000 1.031 1207 V HN 0.722 nan 8.190 nan 0.000 0.448 1208 G N 1.011 109.843 108.800 0.053 0.000 2.093 1208 G HA2 0.349 4.308 3.960 -0.001 0.000 0.298 1208 G HA3 0.349 4.308 3.960 -0.001 0.000 0.298 1208 G C -1.138 173.732 174.900 -0.050 0.000 1.713 1208 G CA -0.930 44.221 45.100 0.086 0.000 0.907 1208 G HN 0.260 nan 8.290 nan 0.000 0.702 1209 R N 2.492 123.007 120.500 0.026 0.000 2.787 1209 R HA 0.697 5.036 4.340 -0.001 0.000 0.271 1209 R C -2.411 173.975 176.300 0.143 0.000 0.993 1209 R CA -1.950 54.133 56.100 -0.027 0.000 0.993 1209 R CB 2.545 32.863 30.300 0.030 0.000 1.155 1209 R HN 0.388 nan 8.270 nan 0.000 0.486 1210 P HA -0.020 nan 4.420 nan 0.000 0.276 1210 P C -1.099 176.363 177.300 0.269 0.000 1.243 1210 P CA 0.259 63.581 63.100 0.370 0.000 0.768 1210 P CB 1.675 33.543 31.700 0.280 0.000 0.856 1211 Q N 3.251 123.211 119.800 0.267 0.000 2.341 1211 Q HA 0.087 4.426 4.340 -0.001 0.000 0.173 1211 Q C 0.286 176.420 176.000 0.223 0.000 0.659 1211 Q CA -0.136 55.788 55.803 0.202 0.000 0.776 1211 Q CB 0.350 29.180 28.738 0.154 0.000 1.108 1211 Q HN 0.598 nan 8.270 nan 0.000 0.538 1212 E N 0.074 120.374 120.200 0.167 0.000 2.280 1212 E HA 0.514 4.863 4.350 -0.001 0.000 0.261 1212 E C -0.028 176.631 176.600 0.099 0.000 1.088 1212 E CA -0.541 55.961 56.400 0.171 0.000 0.915 1212 E CB 1.060 30.814 29.700 0.091 0.000 1.141 1212 E HN 0.384 nan 8.360 nan 0.000 0.433 1213 G N 0.769 109.595 108.800 0.042 0.000 2.653 1213 G HA2 0.179 4.138 3.960 -0.001 0.000 0.265 1213 G HA3 0.179 4.138 3.960 -0.001 0.000 0.265 1213 G C -0.131 174.714 174.900 -0.091 0.000 1.237 1213 G CA -0.895 44.143 45.100 -0.104 0.000 0.946 1213 G HN 0.499 nan 8.290 nan 0.000 0.522 1214 L N 0.064 121.214 121.223 -0.122 0.000 2.540 1214 L HA 0.116 4.455 4.340 -0.001 0.000 0.276 1214 L C 0.299 177.094 176.870 -0.124 0.000 1.212 1214 L CA 0.669 55.436 54.840 -0.122 0.000 0.893 1214 L CB 0.364 42.330 42.059 -0.154 0.000 1.138 1214 L HN 0.459 nan 8.230 nan 0.000 0.491 1215 K N 5.442 125.791 120.400 -0.086 0.000 2.207 1215 K HA 0.430 4.749 4.320 -0.001 0.000 0.255 1215 K C -0.802 175.749 176.600 -0.081 0.000 0.941 1215 K CA -0.687 55.552 56.287 -0.079 0.000 0.825 1215 K CB 2.333 34.803 32.500 -0.049 0.000 1.119 1215 K HN 0.509 nan 8.250 nan 0.000 0.430 1216 L N 5.044 126.208 121.223 -0.098 0.000 2.264 1216 L HA 0.142 4.481 4.340 -0.001 0.000 0.287 1216 L C 0.730 177.554 176.870 -0.078 0.000 1.039 1216 L CA -0.314 54.457 54.840 -0.116 0.000 0.829 1216 L CB 0.890 42.860 42.059 -0.149 0.000 1.211 1216 L HN 0.655 nan 8.230 nan 0.000 0.427 1217 V N 0.888 120.766 119.914 -0.060 0.000 2.922 1217 V HA 0.247 4.366 4.120 -0.001 0.000 0.242 1217 V C 0.802 176.873 176.094 -0.038 0.000 1.094 1217 V CA 0.387 62.664 62.300 -0.039 0.000 1.106 1217 V CB 0.677 32.487 31.823 -0.022 0.000 0.799 1217 V HN 0.626 nan 8.190 nan 0.000 0.474 1218 S N -0.151 115.521 115.700 -0.046 0.000 2.570 1218 S HA 0.332 4.801 4.470 -0.001 0.000 0.286 1218 S C 0.739 175.303 174.600 -0.059 0.000 1.099 1218 S CA -0.017 58.160 58.200 -0.038 0.000 0.913 1218 S CB 1.536 64.724 63.200 -0.020 0.000 1.085 1218 S HN 0.489 nan 8.310 nan 0.000 0.480 1219 N N 1.519 120.196 118.700 -0.039 0.000 2.069 1219 N HA -0.215 4.524 4.740 -0.001 0.000 0.196 1219 N C 0.816 176.305 175.510 -0.035 0.000 1.024 1219 N CA 2.129 55.160 53.050 -0.032 0.000 0.869 1219 N CB -0.228 38.259 38.487 0.001 0.000 1.035 1219 N HN 0.802 nan 8.380 nan 0.000 0.434 1220 D N -0.882 119.510 120.400 -0.014 0.000 2.340 1220 D HA 0.053 4.692 4.640 -0.001 0.000 0.217 1220 D C -0.047 176.254 176.300 0.002 0.000 1.081 1220 D CA 0.120 54.124 54.000 0.007 0.000 0.842 1220 D CB 0.204 41.013 40.800 0.014 0.000 0.934 1220 D HN 0.289 nan 8.370 nan 0.000 0.511 1221 R N -0.154 120.329 120.500 -0.029 0.000 2.771 1221 R HA 0.699 5.038 4.340 -0.001 0.000 0.274 1221 R C -0.890 175.395 176.300 -0.025 0.000 0.987 1221 R CA -0.815 55.283 56.100 -0.002 0.000 0.908 1221 R CB 2.261 32.568 30.300 0.011 0.000 1.213 1221 R HN -0.057 nan 8.270 nan 0.000 0.468 1222 L N 1.257 122.508 121.223 0.047 0.000 2.371 1222 L HA 0.725 5.064 4.340 -0.001 0.000 0.262 1222 L C -0.753 176.217 176.870 0.166 0.000 1.006 1222 L CA -1.220 53.650 54.840 0.050 0.000 0.818 1222 L CB 2.526 44.589 42.059 0.006 0.000 1.354 1222 L HN 0.461 nan 8.230 nan 0.000 0.415 1223 V N 0.459 120.438 119.914 0.109 0.000 2.760 1223 V HA 0.716 4.835 4.120 -0.001 0.000 0.309 1223 V C -1.537 174.602 176.094 0.075 0.000 1.077 1223 V CA -0.748 61.620 62.300 0.112 0.000 0.910 1223 V CB 2.083 33.924 31.823 0.030 0.000 1.008 1223 V HN 0.577 nan 8.190 nan 0.000 0.424 1224 L N 3.748 125.019 121.223 0.080 0.000 2.349 1224 L HA 0.850 5.189 4.340 -0.001 0.000 0.278 1224 L C -0.052 176.666 176.870 -0.255 0.000 0.996 1224 L CA 0.286 55.081 54.840 -0.075 0.000 0.825 1224 L CB 2.079 44.132 42.059 -0.010 0.000 1.243 1224 L HN 0.908 nan 8.230 nan 0.000 0.412 1225 S N 4.093 119.649 115.700 -0.240 0.000 2.475 1225 S HA 0.704 5.173 4.470 -0.001 0.000 0.298 1225 S C -1.291 173.205 174.600 -0.173 0.000 1.119 1225 S CA -0.270 57.822 58.200 -0.179 0.000 1.085 1225 S CB 0.900 64.078 63.200 -0.038 0.000 1.028 1225 S HN 0.409 nan 8.310 nan 0.000 0.489 1226 Y N 1.072 121.431 120.300 0.098 0.000 2.446 1226 Y HA 0.655 5.205 4.550 -0.001 0.000 0.345 1226 Y C 0.174 176.129 175.900 0.091 0.000 0.984 1226 Y CA -1.246 56.912 58.100 0.097 0.000 1.058 1226 Y CB 1.504 40.024 38.460 0.101 0.000 1.220 1226 Y HN 0.492 nan 8.280 nan 0.000 0.455 1227 V N 0.059 120.128 119.914 0.259 0.000 3.078 1227 V HA 0.794 4.913 4.120 -0.001 0.000 0.311 1227 V C -1.013 175.161 176.094 0.133 0.000 1.138 1227 V CA -0.967 61.434 62.300 0.168 0.000 1.007 1227 V CB 2.441 34.340 31.823 0.126 0.000 1.045 1227 V HN 0.640 nan 8.190 nan 0.000 0.432 1237 c N 0.822 119.323 118.600 -0.165 0.000 2.563 1237 c HA 0.102 4.671 4.570 -0.001 0.000 0.268 1237 c C 0.558 174.674 174.090 0.044 0.000 1.365 1237 c CA 0.534 56.840 56.329 -0.038 0.000 1.754 1237 c CB -0.899 41.515 42.510 -0.161 0.000 1.932 1237 c HN 0.598 nan 8.230 nan 0.000 0.536 1238 D N 0.278 120.656 120.400 -0.036 0.000 2.735 1238 D HA -0.161 4.478 4.640 -0.001 0.000 0.235 1238 D C 1.255 177.346 176.300 -0.348 0.000 1.175 1238 D CA 1.266 55.206 54.000 -0.101 0.000 0.683 1238 D CB -1.300 39.511 40.800 0.018 0.000 1.008 1238 D HN 0.758 nan 8.370 nan 0.000 0.416 1239 G N 0.124 108.771 108.800 -0.254 0.000 2.220 1239 G HA2 -0.352 3.608 3.960 -0.001 0.000 0.269 1239 G HA3 -0.352 3.608 3.960 -0.001 0.000 0.269 1239 G C 0.248 174.976 174.900 -0.286 0.000 0.977 1239 G CA 0.647 45.581 45.100 -0.276 0.000 0.634 1239 G HN 0.692 nan 8.290 nan 0.000 0.539 1240 H N 1.159 120.211 119.070 -0.030 0.000 2.620 1240 H HA 0.477 5.032 4.556 -0.001 0.000 0.313 1240 H C 0.419 175.738 175.328 -0.015 0.000 1.075 1240 H CA 0.196 56.233 56.048 -0.018 0.000 1.397 1240 H CB 1.088 30.840 29.762 -0.016 0.000 1.446 1240 H HN 0.181 nan 8.280 nan 0.000 0.493 1241 S N 5.528 121.293 115.700 0.108 0.000 2.533 1241 S HA 0.108 4.578 4.470 -0.001 0.000 0.282 1241 S C -2.015 172.648 174.600 0.105 0.000 1.304 1241 S CA -0.929 57.316 58.200 0.076 0.000 1.063 1241 S CB 0.384 63.624 63.200 0.066 0.000 0.881 1241 S HN 0.464 nan 8.310 nan 0.000 0.493 1242 P HA 0.384 nan 4.420 nan 0.000 0.268 1242 P C -1.167 176.244 177.300 0.186 0.000 1.205 1242 P CA -0.080 63.127 63.100 0.177 0.000 0.771 1242 P CB 0.559 32.356 31.700 0.162 0.000 0.858 1243 A N 2.235 125.202 122.820 0.246 0.000 2.517 1243 A HA 0.612 4.931 4.320 -0.001 0.000 0.297 1243 A C -1.436 176.323 177.584 0.292 0.000 1.050 1243 A CA -0.491 51.679 52.037 0.223 0.000 0.694 1243 A CB 1.263 20.352 19.000 0.148 0.000 1.277 1243 A HN 0.266 nan 8.150 nan 0.000 0.400 1244 V N 1.425 121.506 119.914 0.278 0.000 2.531 1244 V HA 0.700 4.819 4.120 -0.001 0.000 0.301 1244 V C -0.264 175.924 176.094 0.158 0.000 1.034 1244 V CA -0.395 62.074 62.300 0.280 0.000 0.865 1244 V CB 1.886 33.925 31.823 0.360 0.000 0.995 1244 V HN 0.899 nan 8.190 nan 0.000 0.424 1245 T N 6.159 120.775 114.554 0.104 0.000 2.815 1245 T HA 0.648 4.997 4.350 -0.001 0.000 0.289 1245 T C -0.363 174.331 174.700 -0.010 0.000 1.000 1245 T CA -0.118 61.993 62.100 0.018 0.000 0.958 1245 T CB 0.769 69.651 68.868 0.023 0.000 0.944 1245 T HN 0.402 nan 8.240 nan 0.000 0.442 1246 I N 2.691 123.219 120.570 -0.070 0.000 2.412 1246 I HA 0.406 4.575 4.170 -0.001 0.000 0.296 1246 I C 0.195 176.197 176.117 -0.193 0.000 0.987 1246 I CA -0.651 60.552 61.300 -0.162 0.000 1.180 1246 I CB 1.804 39.657 38.000 -0.244 0.000 1.340 1246 I HN 0.453 nan 8.210 nan 0.000 0.455 1247 T N 6.060 120.469 114.554 -0.241 0.000 2.809 1247 T HA 0.492 4.841 4.350 -0.001 0.000 0.296 1247 T C -0.568 174.021 174.700 -0.186 0.000 1.015 1247 T CA -0.366 61.663 62.100 -0.117 0.000 0.954 1247 T CB 0.228 69.073 68.868 -0.038 0.000 0.950 1247 T HN 0.088 nan 8.240 nan 0.000 0.450 1248 F N 2.930 122.883 119.950 0.006 0.000 2.405 1248 F HA 0.553 5.079 4.527 -0.001 0.000 0.355 1248 F C 0.489 176.285 175.800 -0.008 0.000 1.121 1248 F CA -1.130 56.859 58.000 -0.018 0.000 1.112 1248 F CB 1.090 40.014 39.000 -0.127 0.000 1.126 1248 F HN 0.296 nan 8.300 nan 0.000 0.481 1249 V N 2.544 122.554 119.914 0.159 0.000 2.540 1249 V HA 0.504 4.623 4.120 -0.001 0.000 0.302 1249 V C -0.704 175.448 176.094 0.097 0.000 1.035 1249 V CA -1.135 61.229 62.300 0.106 0.000 0.873 1249 V CB 1.249 33.114 31.823 0.071 0.000 0.992 1249 V HN 0.965 nan 8.190 nan 0.000 0.428 1250 c N 9.840 128.485 118.600 0.075 0.000 2.555 1250 c HA 0.609 5.178 4.570 -0.001 0.000 0.385 1250 c C -1.447 172.665 174.090 0.036 0.000 1.296 1250 c CA -1.083 55.279 56.329 0.054 0.000 1.757 1250 c CB -0.047 42.488 42.510 0.041 0.000 2.445 1250 c HN 0.969 nan 8.230 nan 0.000 0.571 1251 P HA 0.135 nan 4.420 nan 0.000 0.274 1251 P C 0.608 177.919 177.300 0.019 0.000 1.231 1251 P CA 0.150 63.275 63.100 0.041 0.000 0.790 1251 P CB 1.030 32.767 31.700 0.062 0.000 0.951 1252 S N 0.045 115.755 115.700 0.017 0.000 2.423 1252 S HA -0.089 4.381 4.470 -0.001 0.000 0.231 1252 S C 0.589 175.203 174.600 0.022 0.000 1.014 1252 S CA 0.838 59.040 58.200 0.004 0.000 0.965 1252 S CB -0.367 62.840 63.200 0.011 0.000 0.785 1252 S HN 0.502 nan 8.310 nan 0.000 0.495 1253 E N 0.304 120.534 120.200 0.050 0.000 2.343 1253 E HA 0.524 4.874 4.350 -0.001 0.000 0.270 1253 E C -0.778 175.886 176.600 0.108 0.000 0.895 1253 E CA -0.888 55.560 56.400 0.079 0.000 0.767 1253 E CB 1.154 30.891 29.700 0.062 0.000 1.248 1253 E HN 0.055 nan 8.360 nan 0.000 0.440 1254 R N 1.879 122.464 120.500 0.142 0.000 2.590 1254 R HA 0.419 4.758 4.340 -0.001 0.000 0.274 1254 R C -0.327 176.038 176.300 0.108 0.000 1.061 1254 R CA -0.090 56.099 56.100 0.148 0.000 1.081 1254 R CB 0.172 30.585 30.300 0.188 0.000 0.984 1254 R HN 0.508 nan 8.270 nan 0.000 0.448 1255 R N -0.030 120.521 120.500 0.086 0.000 2.716 1255 R HA 0.287 4.626 4.340 -0.001 0.000 0.271 1255 R C -0.989 175.342 176.300 0.051 0.000 1.028 1255 R CA -0.983 55.160 56.100 0.071 0.000 0.883 1255 R CB 0.124 30.464 30.300 0.066 0.000 1.250 1255 R HN 0.239 nan 8.270 nan 0.000 0.465 1256 E N 0.871 121.103 120.200 0.053 0.000 2.442 1256 E HA 0.219 4.568 4.350 -0.001 0.000 0.262 1256 E C 0.532 177.165 176.600 0.055 0.000 1.004 1256 E CA 0.556 56.982 56.400 0.044 0.000 0.928 1256 E CB 0.163 29.892 29.700 0.049 0.000 0.937 1256 E HN 0.738 nan 8.360 nan 0.000 0.446 1257 G N 1.822 110.658 108.800 0.060 0.000 2.562 1257 G HA2 0.222 4.181 3.960 -0.001 0.000 0.233 1257 G HA3 0.222 4.181 3.960 -0.001 0.000 0.233 1257 G C -0.132 174.834 174.900 0.110 0.000 1.266 1257 G CA 0.069 45.237 45.100 0.113 0.000 0.852 1257 G HN 0.487 nan 8.290 nan 0.000 0.581 1258 T N -0.670 113.971 114.554 0.144 0.000 2.886 1258 T HA 0.528 4.877 4.350 -0.001 0.000 0.292 1258 T C -0.038 174.654 174.700 -0.014 0.000 1.012 1258 T CA -0.877 61.264 62.100 0.068 0.000 0.982 1258 T CB 1.471 70.376 68.868 0.061 0.000 1.018 1258 T HN 0.282 nan 8.240 nan 0.000 0.451 1259 I N 4.091 124.593 120.570 -0.113 0.000 2.892 1259 I HA 0.243 4.412 4.170 -0.001 0.000 0.287 1259 I C -1.693 174.110 176.117 -0.524 0.000 1.205 1259 I CA -1.754 59.364 61.300 -0.303 0.000 1.409 1259 I CB -0.051 37.843 38.000 -0.177 0.000 1.367 1259 I HN 0.521 nan 8.210 nan 0.000 0.597 1260 P HA 0.108 nan 4.420 nan 0.000 0.271 1260 P C -1.423 175.662 177.300 -0.358 0.000 1.220 1260 P CA -0.481 62.113 63.100 -0.843 0.000 0.768 1260 P CB 0.229 31.226 31.700 -1.171 0.000 0.848 1261 K N 3.188 123.467 120.400 -0.202 0.000 2.182 1261 K HA 0.467 4.786 4.320 -0.001 0.000 0.262 1261 K C -0.247 176.316 176.600 -0.062 0.000 0.957 1261 K CA -1.060 55.162 56.287 -0.107 0.000 0.842 1261 K CB 1.497 33.956 32.500 -0.068 0.000 1.099 1261 K HN 0.350 nan 8.250 nan 0.000 0.438 1262 L N 4.856 126.059 121.223 -0.033 0.000 2.342 1262 L HA 0.065 4.404 4.340 -0.001 0.000 0.285 1262 L C 0.560 177.433 176.870 0.005 0.000 1.095 1262 L CA 0.046 54.893 54.840 0.011 0.000 0.843 1262 L CB 0.747 42.831 42.059 0.041 0.000 1.201 1262 L HN 1.100 nan 8.230 nan 0.000 0.445 1263 T N 0.652 115.209 114.554 0.005 0.000 3.065 1263 T HA 0.381 4.730 4.350 -0.001 0.000 0.252 1263 T C 0.416 175.111 174.700 -0.010 0.000 1.099 1263 T CA 0.325 62.422 62.100 -0.005 0.000 1.063 1263 T CB 0.309 69.172 68.868 -0.008 0.000 0.948 1263 T HN 0.615 nan 8.240 nan 0.000 0.506 1264 A N 1.695 124.514 122.820 -0.002 0.000 2.530 1264 A HA 0.597 4.917 4.320 -0.001 0.000 0.297 1264 A C -1.199 176.345 177.584 -0.066 0.000 1.059 1264 A CA -1.247 50.769 52.037 -0.035 0.000 0.782 1264 A CB 1.048 20.024 19.000 -0.041 0.000 1.301 1264 A HN 0.460 nan 8.150 nan 0.000 0.394 1265 K N 0.377 120.690 120.400 -0.145 0.000 2.616 1265 K HA 0.680 4.999 4.320 -0.001 0.000 0.241 1265 K C -0.908 175.481 176.600 -0.353 0.000 0.961 1265 K CA -0.366 55.707 56.287 -0.358 0.000 0.942 1265 K CB 1.760 34.108 32.500 -0.254 0.000 1.153 1265 K HN 0.512 nan 8.250 nan 0.000 0.452 1266 S N 4.247 119.714 115.700 -0.388 0.000 2.664 1266 S HA 0.244 4.713 4.470 -0.001 0.000 0.262 1266 S C -0.668 173.764 174.600 -0.280 0.000 1.229 1266 S CA -0.565 57.471 58.200 -0.273 0.000 1.151 1266 S CB -0.180 62.902 63.200 -0.196 0.000 1.054 1266 S HN 0.742 nan 8.310 nan 0.000 0.483 1267 N N 2.811 121.379 118.700 -0.220 0.000 2.641 1267 N HA -0.165 4.574 4.740 -0.001 0.000 0.267 1267 N C 0.278 175.746 175.510 -0.070 0.000 1.087 1267 N CA 0.917 53.909 53.050 -0.098 0.000 0.731 1267 N CB -2.043 36.341 38.487 -0.171 0.000 0.886 1267 N HN 0.948 nan 8.380 nan 0.000 0.547 1268 c N -1.211 117.338 118.600 -0.084 0.000 4.331 1268 c HA -0.233 4.337 4.570 -0.001 0.000 0.293 1268 c C 0.900 175.022 174.090 0.053 0.000 1.436 1268 c CA 1.134 57.537 56.329 0.122 0.000 1.993 1268 c CB -1.861 40.773 42.510 0.207 0.000 1.266 1268 c HN 0.727 nan 8.230 nan 0.000 0.795 1269 R N 0.468 120.801 120.500 -0.278 0.000 2.443 1269 R HA 0.630 4.969 4.340 -0.001 0.000 0.287 1269 R C -0.699 175.478 176.300 -0.204 0.000 1.425 1269 R CA -0.567 55.477 56.100 -0.093 0.000 1.300 1269 R CB -0.252 29.987 30.300 -0.102 0.000 1.129 1269 R HN 0.177 nan 8.270 nan 0.000 0.577 1270 F N 1.233 121.209 119.950 0.044 0.000 2.385 1270 F HA 0.485 5.011 4.527 -0.001 0.000 0.336 1270 F C 0.572 176.386 175.800 0.024 0.000 1.100 1270 F CA -0.421 57.599 58.000 0.032 0.000 1.116 1270 F CB 1.404 40.433 39.000 0.048 0.000 1.166 1270 F HN 0.281 nan 8.300 nan 0.000 0.511 1271 E N 3.288 123.588 120.200 0.166 0.000 2.224 1271 E HA 0.587 4.936 4.350 -0.001 0.000 0.265 1271 E C -1.176 175.463 176.600 0.065 0.000 0.878 1271 E CA -0.536 55.914 56.400 0.084 0.000 0.759 1271 E CB 2.554 32.271 29.700 0.028 0.000 1.164 1271 E HN 0.446 nan 8.360 nan 0.000 0.414 1272 I N 1.963 122.550 120.570 0.029 0.000 2.498 1272 I HA 0.274 4.443 4.170 -0.001 0.000 0.290 1272 I C -0.353 175.729 176.117 -0.059 0.000 1.032 1272 I CA -0.662 60.631 61.300 -0.011 0.000 1.073 1272 I CB 2.098 40.090 38.000 -0.013 0.000 1.251 1272 I HN 0.472 nan 8.210 nan 0.000 0.426 1273 E N 5.788 125.959 120.200 -0.047 0.000 2.171 1273 E HA 0.260 4.609 4.350 -0.001 0.000 0.271 1273 E C -1.927 174.681 176.600 0.013 0.000 0.916 1273 E CA -0.680 55.700 56.400 -0.034 0.000 0.774 1273 E CB 1.747 31.442 29.700 -0.008 0.000 1.128 1273 E HN 0.531 nan 8.360 nan 0.000 0.403 1274 W N 6.423 127.586 121.300 -0.228 0.000 2.463 1274 W HA 0.331 4.991 4.660 -0.002 0.000 0.316 1274 W C -1.711 174.781 176.519 -0.045 0.000 1.004 1274 W CA -0.974 56.266 57.345 -0.174 0.000 1.309 1274 W CB 1.129 30.387 29.460 -0.337 0.000 1.288 1274 W HN 0.246 nan 8.180 nan 0.000 0.423 1275 V N 6.084 126.235 119.914 0.395 0.000 2.405 1275 V HA 0.376 4.495 4.120 -0.001 0.000 0.264 1275 V C 0.364 176.664 176.094 0.343 0.000 1.048 1275 V CA 0.335 62.795 62.300 0.267 0.000 0.966 1275 V CB 0.624 32.547 31.823 0.166 0.000 1.015 1275 V HN 0.472 nan 8.190 nan 0.000 0.477 1276 T N 2.668 117.344 114.554 0.204 0.000 3.041 1276 T HA 0.308 4.657 4.350 -0.001 0.000 0.321 1276 T C 0.521 175.264 174.700 0.071 0.000 1.184 1276 T CA -0.562 61.625 62.100 0.144 0.000 1.050 1276 T CB 1.743 70.597 68.868 -0.022 0.000 1.159 1276 T HN 0.723 nan 8.240 nan 0.000 0.469 1277 E N 2.384 122.585 120.200 0.001 0.000 2.472 1277 E HA -0.024 4.325 4.350 -0.001 0.000 0.200 1277 E C 0.376 176.885 176.600 -0.151 0.000 1.046 1277 E CA 0.774 57.134 56.400 -0.066 0.000 0.871 1277 E CB -0.011 29.622 29.700 -0.111 0.000 0.806 1277 E HN 0.716 nan 8.360 nan 0.000 0.533 1278 Y N -0.094 120.182 120.300 -0.040 0.000 2.509 1278 Y HA -0.046 4.503 4.550 -0.001 0.000 0.293 1278 Y C 2.257 178.114 175.900 -0.072 0.000 1.133 1278 Y CA 0.599 58.653 58.100 -0.076 0.000 1.283 1278 Y CB 0.102 38.474 38.460 -0.146 0.000 1.001 1278 Y HN 0.078 nan 8.280 nan 0.000 0.555 1279 A N -0.991 121.874 122.820 0.075 0.000 2.119 1279 A HA -0.027 4.292 4.320 -0.001 0.000 0.216 1279 A C 1.254 178.949 177.584 0.185 0.000 1.152 1279 A CA 0.220 52.308 52.037 0.085 0.000 0.708 1279 A CB -1.037 18.024 19.000 0.103 0.000 0.805 1279 A HN 0.358 nan 8.150 nan 0.000 0.460 1280 c N -0.241 118.415 118.600 0.094 0.000 2.711 1280 c HA 0.443 5.012 4.570 -0.001 0.000 0.306 1280 c C 0.899 174.918 174.090 -0.119 0.000 1.479 1280 c CA -0.303 56.039 56.329 0.022 0.000 2.271 1280 c CB -0.283 42.165 42.510 -0.104 0.000 2.155 1280 c HN 0.804 nan 8.230 nan 0.000 0.674 1281 H N -0.499 118.414 119.070 -0.261 0.000 2.652 1281 H HA 0.344 4.899 4.556 -0.001 0.000 0.349 1281 H C 1.045 176.307 175.328 -0.110 0.000 1.099 1281 H CA -0.352 55.419 56.048 -0.461 0.000 1.417 1281 H CB 0.347 29.866 29.762 -0.405 0.000 1.457 1281 H HN 0.526 nan 8.280 nan 0.000 0.568 1282 R N 1.013 121.525 120.500 0.020 0.000 2.096 1282 R HA -0.190 4.149 4.340 -0.001 0.000 0.240 1282 R C 1.274 177.664 176.300 0.150 0.000 1.139 1282 R CA 1.998 58.141 56.100 0.070 0.000 0.952 1282 R CB -0.266 30.065 30.300 0.053 0.000 0.854 1282 R HN 0.991 nan 8.270 nan 0.000 0.436 1283 D N -0.842 119.708 120.400 0.250 0.000 2.378 1283 D HA -0.221 4.418 4.640 -0.001 0.000 0.222 1283 D C 1.451 177.922 176.300 0.286 0.000 0.980 1283 D CA 0.705 54.855 54.000 0.249 0.000 0.907 1283 D CB -0.342 40.577 40.800 0.198 0.000 0.899 1283 D HN 0.410 nan 8.370 nan 0.000 0.527 1284 Y N 1.187 121.537 120.300 0.083 0.000 2.475 1284 Y HA 0.143 4.693 4.550 -0.001 0.000 0.289 1284 Y C 1.848 177.823 175.900 0.125 0.000 1.121 1284 Y CA 0.618 58.687 58.100 -0.052 0.000 1.257 1284 Y CB 0.039 38.178 38.460 -0.534 0.000 1.026 1284 Y HN -0.093 nan 8.280 nan 0.000 0.555 1285 L N -0.866 120.381 121.223 0.039 0.000 2.470 1285 L HA 0.238 4.577 4.340 -0.001 0.000 0.219 1285 L C 0.257 177.105 176.870 -0.038 0.000 1.071 1285 L CA 0.234 55.026 54.840 -0.081 0.000 0.850 1285 L CB 0.100 42.086 42.059 -0.122 0.000 1.040 1285 L HN -0.052 nan 8.230 nan 0.000 0.475 1286 E N -0.529 119.703 120.200 0.052 0.000 2.339 1286 E HA 0.552 4.901 4.350 -0.001 0.000 0.262 1286 E C -0.948 175.668 176.600 0.027 0.000 0.934 1286 E CA -0.447 55.950 56.400 -0.004 0.000 0.802 1286 E CB 2.553 32.274 29.700 0.035 0.000 1.275 1286 E HN -0.126 nan 8.360 nan 0.000 0.427 1287 S N -0.014 115.659 115.700 -0.045 0.000 2.543 1287 S HA 0.269 4.739 4.470 -0.001 0.000 0.271 1287 S C -0.570 174.022 174.600 -0.014 0.000 1.148 1287 S CA -0.747 57.446 58.200 -0.013 0.000 0.914 1287 S CB 0.953 64.086 63.200 -0.111 0.000 1.096 1287 S HN 0.401 nan 8.310 nan 0.000 0.471 1288 R N 2.191 122.701 120.500 0.016 0.000 2.423 1288 R HA 0.244 4.584 4.340 -0.001 0.000 0.248 1288 R C 0.454 176.742 176.300 -0.021 0.000 1.019 1288 R CA 0.131 56.237 56.100 0.011 0.000 1.119 1288 R CB -1.008 29.312 30.300 0.033 0.000 1.176 1288 R HN 0.732 nan 8.270 nan 0.000 0.526 1289 S N -2.784 112.891 115.700 -0.043 0.000 2.705 1289 S HA 0.162 4.631 4.470 -0.001 0.000 0.280 1289 S C 0.391 174.936 174.600 -0.092 0.000 1.174 1289 S CA -0.796 57.372 58.200 -0.053 0.000 0.823 1289 S CB 1.337 64.519 63.200 -0.030 0.000 1.162 1289 S HN 0.143 nan 8.310 nan 0.000 0.487 1290 c N 2.818 121.365 118.600 -0.089 0.000 2.460 1290 c HA 0.565 5.135 4.570 -0.001 0.000 0.322 1290 c C 0.932 174.930 174.090 -0.153 0.000 1.333 1290 c CA 0.243 56.492 56.329 -0.132 0.000 1.631 1290 c CB -2.816 39.625 42.510 -0.114 0.000 1.672 1290 c HN 0.796 nan 8.230 nan 0.000 0.596 1291 S N -0.366 115.255 115.700 -0.131 0.000 2.556 1291 S HA 0.808 5.277 4.470 -0.001 0.000 0.271 1291 S C -1.307 173.205 174.600 -0.146 0.000 1.135 1291 S CA -0.684 57.437 58.200 -0.131 0.000 0.858 1291 S CB 1.302 64.455 63.200 -0.079 0.000 1.114 1291 S HN 0.228 nan 8.310 nan 0.000 0.468 1292 L N 2.200 123.320 121.223 -0.171 0.000 2.370 1292 L HA 0.766 5.105 4.340 -0.001 0.000 0.266 1292 L C -0.018 176.894 176.870 0.069 0.000 1.002 1292 L CA -0.765 53.953 54.840 -0.204 0.000 0.818 1292 L CB 2.479 44.260 42.059 -0.463 0.000 1.325 1292 L HN 0.994 nan 8.230 nan 0.000 0.418 1293 S N -0.198 115.722 115.700 0.366 0.000 2.621 1293 S HA 0.393 4.862 4.470 -0.001 0.000 0.302 1293 S C 0.614 175.264 174.600 0.083 0.000 1.093 1293 S CA -0.642 57.637 58.200 0.133 0.000 1.017 1293 S CB 1.902 65.146 63.200 0.073 0.000 1.077 1293 S HN 0.529 nan 8.310 nan 0.000 0.517 1294 S N 1.283 116.996 115.700 0.022 0.000 2.359 1294 S HA -0.086 4.383 4.470 -0.001 0.000 0.224 1294 S C 2.208 176.819 174.600 0.018 0.000 1.035 1294 S CA 1.400 59.608 58.200 0.012 0.000 1.018 1294 S CB -0.961 62.241 63.200 0.004 0.000 0.876 1294 S HN 0.952 nan 8.310 nan 0.000 0.448 1295 A N 0.643 123.464 122.820 0.002 0.000 1.972 1295 A HA -0.155 4.164 4.320 -0.001 0.000 0.219 1295 A C 2.045 179.608 177.584 -0.034 0.000 1.169 1295 A CA 1.723 53.757 52.037 -0.005 0.000 0.635 1295 A CB -0.437 18.557 19.000 -0.010 0.000 0.810 1295 A HN 0.574 nan 8.150 nan 0.000 0.446 1296 Q N -2.254 117.459 119.800 -0.144 0.000 2.394 1296 Q HA -0.007 4.332 4.340 -0.001 0.000 0.218 1296 Q C 1.228 176.974 176.000 -0.423 0.000 0.907 1296 Q CA 0.600 56.203 55.803 -0.333 0.000 0.919 1296 Q CB 0.205 28.578 28.738 -0.609 0.000 1.051 1296 Q HN 0.819 nan 8.270 nan 0.000 0.538 1297 H N -0.920 118.148 119.070 -0.003 0.000 2.986 1297 H HA 0.196 4.752 4.556 -0.001 0.000 0.267 1297 H C -0.263 174.913 175.328 -0.253 0.000 1.072 1297 H CA 0.383 56.286 56.048 -0.242 0.000 1.202 1297 H CB 1.074 30.690 29.762 -0.244 0.000 1.535 1297 H HN 0.247 nan 8.280 nan 0.000 0.522 1298 D N 0.758 121.189 120.400 0.051 0.000 3.041 1298 D HA -0.144 4.496 4.640 -0.001 0.000 0.220 1298 D C -0.299 175.993 176.300 -0.013 0.000 1.157 1298 D CA 0.627 54.671 54.000 0.074 0.000 0.876 1298 D CB -1.275 39.645 40.800 0.201 0.000 1.107 1298 D HN 0.269 nan 8.370 nan 0.000 0.422 1299 V N -0.554 119.326 119.914 -0.057 0.000 2.752 1299 V HA 0.686 4.805 4.120 -0.001 0.000 0.302 1299 V C -1.335 174.682 176.094 -0.128 0.000 1.133 1299 V CA -0.113 62.086 62.300 -0.168 0.000 0.919 1299 V CB 1.972 33.549 31.823 -0.410 0.000 1.026 1299 V HN 0.208 nan 8.190 nan 0.000 0.429 1300 A N 6.334 129.080 122.820 -0.123 0.000 2.252 1300 A HA 0.850 5.169 4.320 -0.001 0.000 0.309 1300 A C -0.887 176.617 177.584 -0.133 0.000 1.285 1300 A CA -0.332 51.651 52.037 -0.090 0.000 0.900 1300 A CB 0.923 19.888 19.000 -0.058 0.000 1.157 1300 A HN 1.212 nan 8.150 nan 0.000 0.536 1301 V N 2.271 122.102 119.914 -0.138 0.000 2.888 1301 V HA 0.584 4.703 4.120 -0.001 0.000 0.309 1301 V C -1.399 174.614 176.094 -0.136 0.000 1.114 1301 V CA -0.615 61.587 62.300 -0.164 0.000 0.940 1301 V CB 2.430 34.104 31.823 -0.248 0.000 1.021 1301 V HN 0.942 nan 8.190 nan 0.000 0.426 1302 D N 2.554 122.883 120.400 -0.118 0.000 2.470 1302 D HA 0.393 5.032 4.640 -0.001 0.000 0.233 1302 D C 0.041 176.246 176.300 -0.159 0.000 1.372 1302 D CA -0.363 53.568 54.000 -0.115 0.000 0.994 1302 D CB 1.512 42.277 40.800 -0.059 0.000 1.377 1302 D HN 0.370 nan 8.370 nan 0.000 0.586 1303 L N 2.793 123.863 121.223 -0.255 0.000 2.592 1303 L HA 0.081 4.420 4.340 -0.001 0.000 0.227 1303 L C 2.158 178.836 176.870 -0.319 0.000 1.127 1303 L CA 0.013 54.629 54.840 -0.374 0.000 0.884 1303 L CB -0.055 41.694 42.059 -0.517 0.000 1.065 1303 L HN 0.428 nan 8.230 nan 0.000 0.457 1304 Q N 2.317 121.991 119.800 -0.211 0.000 2.082 1304 Q HA -0.198 4.141 4.340 -0.001 0.000 0.211 1304 Q C -0.734 175.157 176.000 -0.181 0.000 1.002 1304 Q CA 2.407 58.122 55.803 -0.146 0.000 0.868 1304 Q CB -1.565 27.116 28.738 -0.094 0.000 0.931 1304 Q HN 0.247 nan 8.270 nan 0.000 0.414 1305 P HA -0.175 nan 4.420 nan 0.000 0.223 1305 P C 0.753 177.865 177.300 -0.314 0.000 1.140 1305 P CA 1.167 64.073 63.100 -0.324 0.000 0.783 1305 P CB -0.159 31.249 31.700 -0.487 0.000 0.759 1306 L N -0.107 120.932 121.223 -0.307 0.000 2.418 1306 L HA -0.045 4.294 4.340 -0.001 0.000 0.218 1306 L C 2.625 179.611 176.870 0.192 0.000 1.125 1306 L CA 1.211 56.026 54.840 -0.041 0.000 0.835 1306 L CB -0.886 41.092 42.059 -0.134 0.000 0.953 1306 L HN 0.080 nan 8.230 nan 0.000 0.454 1307 S N 0.758 116.507 115.700 0.081 0.000 2.465 1307 S HA -0.164 4.305 4.470 -0.001 0.000 0.241 1307 S C 1.018 175.678 174.600 0.099 0.000 1.000 1307 S CA 0.308 58.581 58.200 0.122 0.000 0.964 1307 S CB -0.482 62.752 63.200 0.055 0.000 0.763 1307 S HN 0.523 nan 8.310 nan 0.000 0.512 1308 R N 0.905 121.442 120.500 0.062 0.000 2.275 1308 R HA 0.701 5.040 4.340 -0.001 0.000 0.326 1308 R C -1.100 175.195 176.300 -0.008 0.000 0.973 1308 R CA -0.715 55.396 56.100 0.019 0.000 0.854 1308 R CB 1.160 31.465 30.300 0.009 0.000 1.156 1308 R HN 0.066 nan 8.270 nan 0.000 0.487 1315 L N 2.320 123.452 121.223 -0.151 0.000 2.622 1315 L HA 0.429 4.768 4.340 -0.001 0.000 0.233 1315 L C -0.087 176.756 176.870 -0.044 0.000 1.156 1315 L CA 0.720 55.510 54.840 -0.084 0.000 0.866 1315 L CB -0.663 41.416 42.059 0.034 0.000 0.980 1315 L HN 0.726 nan 8.230 nan 0.000 0.448 1316 F N -3.016 116.863 119.950 -0.117 0.000 2.538 1316 F HA 0.620 5.146 4.527 -0.002 0.000 0.325 1316 F C -0.604 175.137 175.800 -0.098 0.000 1.066 1316 F CA -1.646 56.331 58.000 -0.038 0.000 0.946 1316 F CB 0.217 39.233 39.000 0.026 0.000 1.199 1316 F HN -0.243 nan 8.300 nan 0.000 0.473 1317 Y N 0.024 120.408 120.300 0.139 0.000 2.403 1317 Y HA 0.613 5.162 4.550 -0.002 0.000 0.323 1317 Y C 0.497 176.489 175.900 0.153 0.000 1.226 1317 Y CA -0.657 57.445 58.100 0.005 0.000 1.235 1317 Y CB 1.957 40.334 38.460 -0.137 0.000 1.248 1317 Y HN 0.800 nan 8.280 nan 0.000 0.489 1318 T N -1.694 112.999 114.554 0.230 0.000 2.881 1318 T HA 0.695 5.044 4.350 -0.001 0.000 0.290 1318 T C -0.765 173.986 174.700 0.085 0.000 1.000 1318 T CA -0.934 61.278 62.100 0.187 0.000 0.978 1318 T CB 1.342 70.360 68.868 0.250 0.000 0.997 1318 T HN 0.444 nan 8.240 nan 0.000 0.443 1319 S N 2.475 118.222 115.700 0.078 0.000 2.659 1319 S HA 0.421 4.890 4.470 -0.001 0.000 0.312 1319 S C -0.377 174.313 174.600 0.151 0.000 1.114 1319 S CA -0.834 57.462 58.200 0.160 0.000 1.063 1319 S CB 1.133 64.534 63.200 0.335 0.000 0.996 1319 S HN 0.691 nan 8.310 nan 0.000 0.478 1320 E N 1.874 122.142 120.200 0.113 0.000 2.366 1320 E HA 0.615 4.965 4.350 -0.001 0.000 0.266 1320 E C -0.026 176.668 176.600 0.155 0.000 1.051 1320 E CA -0.094 56.355 56.400 0.083 0.000 0.884 1320 E CB 1.461 31.199 29.700 0.064 0.000 1.006 1320 E HN 0.684 nan 8.360 nan 0.000 0.417 1321 A N 2.288 125.170 122.820 0.103 0.000 2.532 1321 A HA 0.351 4.670 4.320 -0.001 0.000 0.290 1321 A C 0.446 178.095 177.584 0.109 0.000 1.143 1321 A CA -0.610 51.528 52.037 0.168 0.000 0.728 1321 A CB 1.012 20.065 19.000 0.090 0.000 1.317 1321 A HN 0.489 nan 8.150 nan 0.000 0.414 1322 D N 0.103 120.588 120.400 0.142 0.000 2.084 1322 D HA -0.127 4.512 4.640 -0.001 0.000 0.194 1322 D C 1.091 177.398 176.300 0.013 0.000 0.990 1322 D CA 2.054 56.102 54.000 0.079 0.000 0.826 1322 D CB 0.203 41.061 40.800 0.097 0.000 0.971 1322 D HN 0.736 nan 8.370 nan 0.000 0.453 1323 E N -1.513 118.695 120.200 0.014 0.000 2.460 1323 E HA 0.074 4.423 4.350 -0.001 0.000 0.200 1323 E C -0.159 176.151 176.600 -0.484 0.000 1.011 1323 E CA 0.037 56.307 56.400 -0.216 0.000 0.912 1323 E CB 0.666 30.217 29.700 -0.250 0.000 0.953 1323 E HN 0.262 nan 8.360 nan 0.000 0.494 1324 Y N -0.727 119.466 120.300 -0.179 0.000 2.669 1324 Y HA 0.439 4.989 4.550 -0.001 0.000 0.335 1324 Y C -0.125 175.510 175.900 -0.442 0.000 1.116 1324 Y CA -1.102 56.781 58.100 -0.362 0.000 1.081 1324 Y CB 1.946 40.048 38.460 -0.597 0.000 1.297 1324 Y HN -0.374 nan 8.280 nan 0.000 0.484 1325 T N 0.818 115.126 114.554 -0.410 0.000 2.879 1325 T HA 0.472 4.821 4.350 -0.001 0.000 0.290 1325 T C -1.710 172.509 174.700 -0.803 0.000 0.993 1325 T CA -0.801 61.008 62.100 -0.486 0.000 0.975 1325 T CB 0.339 68.968 68.868 -0.399 0.000 0.981 1325 T HN 0.280 nan 8.240 nan 0.000 0.439 1326 Y N 1.696 121.734 120.300 -0.436 0.000 2.341 1326 Y HA 0.549 5.098 4.550 -0.001 0.000 0.337 1326 Y C -0.518 175.135 175.900 -0.413 0.000 1.014 1326 Y CA -1.042 56.855 58.100 -0.337 0.000 1.111 1326 Y CB 0.956 39.417 38.460 0.001 0.000 1.194 1326 Y HN 0.562 nan 8.280 nan 0.000 0.462 1327 Y N 3.545 123.914 120.300 0.115 0.000 2.335 1327 Y HA 0.573 5.122 4.550 -0.002 0.000 0.338 1327 Y C -1.016 174.923 175.900 0.064 0.000 0.977 1327 Y CA -1.174 56.992 58.100 0.109 0.000 1.114 1327 Y CB 0.999 39.439 38.460 -0.033 0.000 1.182 1327 Y HN 0.361 nan 8.280 nan 0.000 0.463 1328 L N 3.441 124.815 121.223 0.251 0.000 2.349 1328 L HA 0.584 4.923 4.340 -0.001 0.000 0.278 1328 L C -0.305 176.722 176.870 0.262 0.000 0.996 1328 L CA -0.564 54.352 54.840 0.127 0.000 0.825 1328 L CB 1.838 43.874 42.059 -0.038 0.000 1.243 1328 L HN 0.605 nan 8.230 nan 0.000 0.412 1329 S N 3.630 119.408 115.700 0.131 0.000 2.667 1329 S HA 0.784 5.254 4.470 -0.001 0.000 0.304 1329 S C -0.347 174.289 174.600 0.060 0.000 1.135 1329 S CA -0.695 57.603 58.200 0.163 0.000 1.125 1329 S CB 0.482 63.740 63.200 0.097 0.000 0.996 1329 S HN 0.562 nan 8.310 nan 0.000 0.474 1330 I N -1.140 119.539 120.570 0.183 0.000 2.707 1330 I HA 0.704 4.874 4.170 -0.001 0.000 0.309 1330 I C -0.285 175.938 176.117 0.178 0.000 1.001 1330 I CA -0.924 60.486 61.300 0.183 0.000 1.129 1330 I CB 1.204 39.397 38.000 0.322 0.000 1.308 1330 I HN 0.731 nan 8.210 nan 0.000 0.466 1331 c N 4.524 123.251 118.600 0.212 0.000 2.735 1331 c HA -0.014 4.555 4.570 -0.001 0.000 0.256 1331 c C 1.454 175.588 174.090 0.073 0.000 1.159 1331 c CA 0.540 56.937 56.329 0.113 0.000 2.626 1331 c CB -2.928 39.603 42.510 0.035 0.000 1.597 1331 c HN 1.756 nan 8.230 nan 0.000 0.412 1332 G N 0.817 109.659 108.800 0.069 0.000 2.233 1332 G HA2 0.023 3.982 3.960 -0.001 0.000 0.270 1332 G HA3 0.023 3.982 3.960 -0.001 0.000 0.270 1332 G C 0.553 175.477 174.900 0.041 0.000 1.011 1332 G CA 0.613 45.737 45.100 0.040 0.000 0.762 1332 G HN 1.989 nan 8.290 nan 0.000 0.511 1333 G N -0.765 108.072 108.800 0.062 0.000 2.616 1333 G HA2 0.548 4.507 3.960 -0.001 0.000 0.268 1333 G HA3 0.548 4.507 3.960 -0.001 0.000 0.268 1333 G C 0.282 175.217 174.900 0.058 0.000 1.213 1333 G CA 0.480 45.626 45.100 0.077 0.000 0.926 1333 G HN 0.729 nan 8.290 nan 0.000 0.523 1334 S N 0.094 115.839 115.700 0.074 0.000 2.554 1334 S HA 0.351 4.820 4.470 -0.001 0.000 0.278 1334 S C 0.049 174.693 174.600 0.074 0.000 1.242 1334 S CA -0.532 57.701 58.200 0.056 0.000 1.051 1334 S CB 1.637 64.875 63.200 0.064 0.000 0.986 1334 S HN 0.528 nan 8.310 nan 0.000 0.502 1335 Q N 1.107 120.890 119.800 -0.028 0.000 2.212 1335 Q HA 0.581 4.920 4.340 -0.001 0.000 0.238 1335 Q C -0.032 175.723 176.000 -0.408 0.000 0.955 1335 Q CA -0.615 55.102 55.803 -0.143 0.000 0.906 1335 Q CB 1.483 30.129 28.738 -0.153 0.000 1.215 1335 Q HN 0.828 nan 8.270 nan 0.000 0.478 1336 A N 2.767 125.052 122.820 -0.892 0.000 2.466 1336 A HA 0.214 4.533 4.320 -0.001 0.000 0.238 1336 A C -1.568 175.566 177.584 -0.750 0.000 1.074 1336 A CA -0.828 50.287 52.037 -1.538 0.000 0.774 1336 A CB -0.355 17.446 19.000 -1.999 0.000 1.015 1336 A HN 0.550 nan 8.150 nan 0.000 0.498 1337 P HA -0.164 nan 4.420 nan 0.000 0.216 1337 P C 1.279 178.404 177.300 -0.291 0.000 1.150 1337 P CA 0.986 63.898 63.100 -0.314 0.000 0.843 1337 P CB 0.050 31.623 31.700 -0.212 0.000 0.787 1338 I N -1.620 118.724 120.570 -0.377 0.000 3.334 1338 I HA -0.094 4.075 4.170 -0.001 0.000 0.282 1338 I C -0.120 175.858 176.117 -0.232 0.000 1.313 1338 I CA 0.757 61.892 61.300 -0.275 0.000 1.396 1338 I CB -0.033 37.795 38.000 -0.286 0.000 1.054 1338 I HN -0.059 nan 8.210 nan 0.000 0.495 1339 c N 0.926 119.360 118.600 -0.276 0.000 2.975 1339 c HA 0.332 4.901 4.570 -0.001 0.000 0.234 1339 c C 1.123 175.114 174.090 -0.165 0.000 1.666 1339 c CA -0.587 55.627 56.329 -0.191 0.000 1.534 1339 c CB -1.406 40.990 42.510 -0.190 0.000 2.642 1339 c HN 0.435 nan 8.230 nan 0.000 0.516 1340 N N 1.435 120.049 118.700 -0.143 0.000 2.356 1340 N HA -0.024 4.715 4.740 -0.001 0.000 0.178 1340 N C 1.865 177.325 175.510 -0.082 0.000 1.075 1340 N CA 0.367 53.349 53.050 -0.113 0.000 0.889 1340 N CB 0.201 38.623 38.487 -0.108 0.000 0.999 1340 N HN 0.493 nan 8.380 nan 0.000 0.464 1341 K N 0.274 120.629 120.400 -0.075 0.000 2.476 1341 K HA 0.168 4.487 4.320 -0.001 0.000 0.196 1341 K C 0.046 176.616 176.600 -0.051 0.000 1.025 1341 K CA 0.337 56.590 56.287 -0.056 0.000 1.138 1341 K CB 0.382 32.852 32.500 -0.049 0.000 0.860 1341 K HN -0.066 nan 8.250 nan 0.000 0.515 1342 K N 0.227 120.591 120.400 -0.059 0.000 2.092 1342 K HA 0.279 4.598 4.320 -0.001 0.000 0.252 1342 K C -1.201 175.364 176.600 -0.058 0.000 0.988 1342 K CA -0.616 55.640 56.287 -0.052 0.000 0.837 1342 K CB 0.370 32.840 32.500 -0.050 0.000 1.493 1342 K HN -0.069 nan 8.250 nan 0.000 0.449 1343 D N 0.451 120.817 120.400 -0.057 0.000 2.586 1343 D HA 0.428 5.067 4.640 -0.001 0.000 0.254 1343 D C -1.762 174.496 176.300 -0.070 0.000 1.248 1343 D CA -0.136 53.827 54.000 -0.062 0.000 0.843 1343 D CB 0.572 41.340 40.800 -0.053 0.000 1.332 1343 D HN 0.584 nan 8.370 nan 0.000 0.523 1344 A N 1.214 123.984 122.820 -0.083 0.000 2.330 1344 A HA 0.721 5.040 4.320 -0.001 0.000 0.313 1344 A C 0.930 178.427 177.584 -0.145 0.000 1.124 1344 A CA -0.108 51.872 52.037 -0.095 0.000 0.774 1344 A CB 1.596 20.555 19.000 -0.068 0.000 1.198 1344 A HN 0.381 nan 8.150 nan 0.000 0.465 1345 A N 2.192 124.866 122.820 -0.243 0.000 1.930 1345 A HA 0.391 4.710 4.320 -0.001 0.000 0.215 1345 A C 0.666 178.059 177.584 -0.318 0.000 1.176 1345 A CA 1.344 53.109 52.037 -0.453 0.000 0.632 1345 A CB -0.032 18.277 19.000 -1.151 0.000 0.819 1345 A HN 0.992 nan 8.150 nan 0.000 0.445 1346 V N -0.887 118.906 119.914 -0.201 0.000 2.577 1346 V HA 0.427 4.546 4.120 -0.001 0.000 0.303 1346 V C -0.935 175.149 176.094 -0.017 0.000 1.042 1346 V CA -0.814 61.438 62.300 -0.079 0.000 0.872 1346 V CB 1.115 32.917 31.823 -0.036 0.000 0.998 1346 V HN 0.348 nan 8.190 nan 0.000 0.423 1347 c N 5.215 123.834 118.600 0.033 0.000 2.396 1347 c HA 0.594 5.163 4.570 -0.001 0.000 0.321 1347 c C -0.343 173.736 174.090 -0.018 0.000 1.233 1347 c CA -0.359 55.980 56.329 0.018 0.000 1.440 1347 c CB 1.236 43.769 42.510 0.038 0.000 2.110 1347 c HN 0.994 nan 8.230 nan 0.000 0.473 1348 Q N 3.648 123.364 119.800 -0.139 0.000 2.256 1348 Q HA 0.713 5.052 4.340 -0.001 0.000 0.257 1348 Q C -1.441 174.461 176.000 -0.163 0.000 0.936 1348 Q CA -0.334 55.248 55.803 -0.369 0.000 0.903 1348 Q CB 1.704 30.122 28.738 -0.533 0.000 1.263 1348 Q HN 0.701 nan 8.270 nan 0.000 0.440 1349 V N 4.327 124.147 119.914 -0.156 0.000 2.525 1349 V HA 0.288 4.407 4.120 -0.001 0.000 0.299 1349 V C -0.435 175.669 176.094 0.017 0.000 1.034 1349 V CA -0.875 61.427 62.300 0.004 0.000 0.863 1349 V CB 1.757 33.641 31.823 0.101 0.000 0.999 1349 V HN 0.720 nan 8.190 nan 0.000 0.423 1350 K N 3.517 123.923 120.400 0.010 0.000 2.412 1350 K HA 0.219 4.538 4.320 -0.001 0.000 0.281 1350 K C 1.050 177.510 176.600 -0.233 0.000 1.027 1350 K CA -0.135 55.980 56.287 -0.288 0.000 0.989 1350 K CB 0.653 33.031 32.500 -0.202 0.000 0.935 1350 K HN 0.583 nan 8.250 nan 0.000 0.475 1351 K N 2.214 122.429 120.400 -0.308 0.000 2.097 1351 K HA -0.113 4.206 4.320 -0.001 0.000 0.205 1351 K C 1.327 177.849 176.600 -0.130 0.000 1.050 1351 K CA 1.364 57.546 56.287 -0.176 0.000 0.938 1351 K CB 0.060 32.460 32.500 -0.167 0.000 0.718 1351 K HN 0.628 nan 8.250 nan 0.000 0.442 1352 A N 1.023 123.750 122.820 -0.155 0.000 2.302 1352 A HA -0.026 4.293 4.320 -0.001 0.000 0.219 1352 A C -0.004 177.530 177.584 -0.083 0.000 1.243 1352 A CA 0.376 52.351 52.037 -0.103 0.000 0.856 1352 A CB 0.179 19.117 19.000 -0.102 0.000 0.893 1352 A HN 0.155 nan 8.150 nan 0.000 0.491 1353 D N -1.332 119.016 120.400 -0.086 0.000 2.881 1353 D HA 0.036 4.675 4.640 -0.001 0.000 0.238 1353 D C 0.642 176.915 176.300 -0.045 0.000 1.368 1353 D CA 0.314 54.280 54.000 -0.057 0.000 0.871 1353 D CB 0.161 40.929 40.800 -0.052 0.000 1.516 1353 D HN -0.024 nan 8.370 nan 0.000 0.544 1354 S N 0.652 116.331 115.700 -0.036 0.000 2.461 1354 S HA -0.195 4.274 4.470 -0.001 0.000 0.249 1354 S C 1.670 176.259 174.600 -0.018 0.000 1.012 1354 S CA 2.405 60.592 58.200 -0.022 0.000 0.982 1354 S CB -0.038 63.151 63.200 -0.019 0.000 0.764 1354 S HN 0.601 nan 8.310 nan 0.000 0.506 1355 T N -1.755 112.787 114.554 -0.019 0.000 3.044 1355 T HA 0.198 4.547 4.350 -0.001 0.000 0.250 1355 T C 0.729 175.425 174.700 -0.007 0.000 1.081 1355 T CA -0.120 61.970 62.100 -0.016 0.000 1.040 1355 T CB -0.188 68.670 68.868 -0.017 0.000 0.962 1355 T HN 0.435 nan 8.240 nan 0.000 0.506 1356 Q N 1.787 121.587 119.800 -0.000 0.000 2.348 1356 Q HA 0.415 4.754 4.340 -0.001 0.000 0.251 1356 Q C -1.460 174.559 176.000 0.032 0.000 1.113 1356 Q CA -0.276 55.540 55.803 0.021 0.000 0.902 1356 Q CB 0.257 29.014 28.738 0.033 0.000 1.333 1356 Q HN 0.245 nan 8.270 nan 0.000 0.457 1357 V N 5.189 125.114 119.914 0.019 0.000 2.448 1357 V HA 0.475 4.595 4.120 -0.001 0.000 0.295 1357 V C -0.447 175.650 176.094 0.004 0.000 1.025 1357 V CA -0.784 61.521 62.300 0.008 0.000 0.859 1357 V CB 1.785 33.602 31.823 -0.010 0.000 0.988 1357 V HN 0.582 nan 8.190 nan 0.000 0.431 1358 K N 3.494 123.886 120.400 -0.013 0.000 2.397 1358 K HA 0.555 4.874 4.320 -0.001 0.000 0.253 1358 K C -0.926 175.654 176.600 -0.032 0.000 0.932 1358 K CA -0.705 55.574 56.287 -0.013 0.000 0.795 1358 K CB 2.432 34.926 32.500 -0.010 0.000 1.159 1358 K HN 0.391 nan 8.250 nan 0.000 0.424 1359 V N 2.232 122.142 119.914 -0.007 0.000 2.508 1359 V HA 0.166 4.285 4.120 -0.001 0.000 0.281 1359 V C 0.996 177.103 176.094 0.022 0.000 1.041 1359 V CA -0.029 62.267 62.300 -0.007 0.000 1.016 1359 V CB 0.998 32.819 31.823 -0.005 0.000 0.984 1359 V HN 0.873 nan 8.190 nan 0.000 0.478 1360 A N 3.959 126.787 122.820 0.013 0.000 2.574 1360 A HA 0.736 5.055 4.320 -0.001 0.000 0.283 1360 A C 0.716 178.392 177.584 0.153 0.000 1.270 1360 A CA 0.340 52.429 52.037 0.087 0.000 0.945 1360 A CB -0.085 18.867 19.000 -0.080 0.000 1.127 1360 A HN 1.438 nan 8.150 nan 0.000 0.522 1361 G N -0.276 108.576 108.800 0.086 0.000 2.322 1361 G HA2 0.380 4.339 3.960 -0.001 0.000 0.289 1361 G HA3 0.380 4.339 3.960 -0.001 0.000 0.289 1361 G C -1.235 173.656 174.900 -0.014 0.000 1.687 1361 G CA -1.126 44.032 45.100 0.096 0.000 0.944 1361 G HN 0.334 nan 8.290 nan 0.000 0.718 1362 R N 2.924 123.409 120.500 -0.024 0.000 2.637 1362 R HA 0.529 4.869 4.340 -0.001 0.000 0.291 1362 R C -1.580 174.721 176.300 0.002 0.000 0.963 1362 R CA -1.988 54.072 56.100 -0.066 0.000 0.901 1362 R CB 2.783 33.031 30.300 -0.087 0.000 1.160 1362 R HN 0.355 nan 8.270 nan 0.000 0.457 1363 P HA -0.194 nan 4.420 nan 0.000 0.220 1363 P C 0.262 177.613 177.300 0.085 0.000 1.144 1363 P CA 1.387 64.543 63.100 0.094 0.000 0.800 1363 P CB 0.456 32.157 31.700 0.001 0.000 0.772 1364 Q N -0.727 119.057 119.800 -0.026 0.000 2.432 1364 Q HA 0.039 4.378 4.340 -0.001 0.000 0.205 1364 Q C 0.151 176.045 176.000 -0.176 0.000 0.945 1364 Q CA 0.646 56.405 55.803 -0.074 0.000 0.924 1364 Q CB -0.378 28.313 28.738 -0.079 0.000 1.016 1364 Q HN 0.265 nan 8.270 nan 0.000 0.503 1365 N N 0.550 119.054 118.700 -0.327 0.000 3.012 1365 N HA 0.251 4.990 4.740 -0.001 0.000 0.270 1365 N C -1.442 173.629 175.510 -0.733 0.000 1.469 1365 N CA -0.081 52.430 53.050 -0.897 0.000 0.928 1365 N CB 0.753 38.257 38.487 -1.637 0.000 1.219 1365 N HN 0.158 nan 8.380 nan 0.000 0.492 1366 L N 0.275 121.322 121.223 -0.293 0.000 2.334 1366 L HA 0.665 5.004 4.340 -0.001 0.000 0.276 1366 L C -0.792 176.048 176.870 -0.050 0.000 1.014 1366 L CA -0.257 54.409 54.840 -0.291 0.000 0.815 1366 L CB 1.659 43.529 42.059 -0.316 0.000 1.268 1366 L HN 0.109 nan 8.230 nan 0.000 0.428 1367 T N 5.313 119.840 114.554 -0.045 0.000 3.031 1367 T HA 0.367 4.716 4.350 -0.001 0.000 0.305 1367 T C -1.190 173.482 174.700 -0.046 0.000 0.985 1367 T CA -0.302 61.812 62.100 0.024 0.000 1.008 1367 T CB 1.355 70.297 68.868 0.123 0.000 1.005 1367 T HN 0.394 nan 8.240 nan 0.000 0.444 1368 L N 4.207 125.384 121.223 -0.076 0.000 2.282 1368 L HA 0.785 5.124 4.340 -0.001 0.000 0.288 1368 L C -0.117 176.705 176.870 -0.079 0.000 1.033 1368 L CA -0.305 54.477 54.840 -0.097 0.000 0.807 1368 L CB 0.883 42.844 42.059 -0.163 0.000 1.209 1368 L HN 0.627 nan 8.230 nan 0.000 0.423 1369 R N 3.858 124.344 120.500 -0.023 0.000 2.686 1369 R HA 0.490 4.829 4.340 -0.001 0.000 0.283 1369 R C -2.161 174.165 176.300 0.043 0.000 0.978 1369 R CA -0.660 55.435 56.100 -0.008 0.000 0.897 1369 R CB 1.459 31.785 30.300 0.043 0.000 1.192 1369 R HN 0.637 nan 8.270 nan 0.000 0.457 1370 Y N 2.035 122.236 120.300 -0.166 0.000 2.346 1370 Y HA 0.560 5.110 4.550 -0.002 0.000 0.332 1370 Y C -1.464 174.301 175.900 -0.225 0.000 0.985 1370 Y CA -0.195 57.807 58.100 -0.163 0.000 1.112 1370 Y CB 2.155 40.498 38.460 -0.195 0.000 1.170 1370 Y HN 0.637 nan 8.280 nan 0.000 0.447 1371 S N 4.192 119.478 115.700 -0.690 0.000 2.543 1371 S HA 0.366 4.836 4.470 -0.001 0.000 0.273 1371 S C -1.451 172.854 174.600 -0.492 0.000 1.152 1371 S CA -0.618 57.200 58.200 -0.638 0.000 0.910 1371 S CB 0.691 63.308 63.200 -0.973 0.000 1.105 1371 S HN 0.777 nan 8.310 nan 0.000 0.465 1372 D N 2.622 122.822 120.400 -0.335 0.000 2.737 1372 D HA -0.160 4.479 4.640 -0.001 0.000 0.233 1372 D C 1.030 177.222 176.300 -0.180 0.000 1.155 1372 D CA 2.442 56.359 54.000 -0.138 0.000 0.667 1372 D CB -1.480 39.344 40.800 0.039 0.000 1.060 1372 D HN 1.525 nan 8.370 nan 0.000 0.427 1373 G N -1.015 107.543 108.800 -0.403 0.000 2.199 1373 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.254 1373 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.254 1373 G C -0.219 174.519 174.900 -0.269 0.000 0.982 1373 G CA 0.303 45.233 45.100 -0.284 0.000 0.632 1373 G HN 0.462 nan 8.290 nan 0.000 0.529 1374 D N 0.338 120.527 120.400 -0.352 0.000 2.217 1374 D HA 0.552 5.191 4.640 -0.001 0.000 0.243 1374 D C -0.070 176.212 176.300 -0.031 0.000 1.054 1374 D CA -0.432 53.516 54.000 -0.086 0.000 0.838 1374 D CB 2.167 42.975 40.800 0.014 0.000 1.162 1374 D HN 0.234 nan 8.370 nan 0.000 0.472 1375 L N 1.823 123.185 121.223 0.232 0.000 2.307 1375 L HA 0.463 4.803 4.340 -0.001 0.000 0.282 1375 L C -0.528 176.493 176.870 0.252 0.000 1.051 1375 L CA 0.258 55.284 54.840 0.310 0.000 0.804 1375 L CB 1.520 43.743 42.059 0.275 0.000 1.197 1375 L HN 0.240 nan 8.230 nan 0.000 0.431 1376 T N 5.882 120.558 114.554 0.204 0.000 2.921 1376 T HA 0.482 4.831 4.350 -0.001 0.000 0.297 1376 T C -1.366 173.448 174.700 0.191 0.000 1.013 1376 T CA -0.321 61.919 62.100 0.233 0.000 0.990 1376 T CB 1.371 70.352 68.868 0.189 0.000 1.023 1376 T HN 0.508 nan 8.240 nan 0.000 0.447 1377 L N 4.628 126.017 121.223 0.275 0.000 2.298 1377 L HA 0.683 5.022 4.340 -0.001 0.000 0.284 1377 L C -1.248 175.697 176.870 0.125 0.000 1.013 1377 L CA -0.614 54.318 54.840 0.154 0.000 0.824 1377 L CB 0.418 42.644 42.059 0.280 0.000 1.221 1377 L HN 0.640 nan 8.230 nan 0.000 0.418 1378 I N 5.614 126.199 120.570 0.025 0.000 2.406 1378 I HA 0.327 4.496 4.170 -0.001 0.000 0.290 1378 I C -1.178 174.965 176.117 0.044 0.000 0.999 1378 I CA -0.567 60.800 61.300 0.112 0.000 1.124 1378 I CB 1.385 39.480 38.000 0.158 0.000 1.289 1378 I HN 0.504 nan 8.210 nan 0.000 0.441 1379 Y N 6.372 126.819 120.300 0.244 0.000 2.341 1379 Y HA 0.555 5.104 4.550 -0.001 0.000 0.338 1379 Y C -0.132 175.906 175.900 0.229 0.000 0.965 1379 Y CA -0.617 57.570 58.100 0.146 0.000 1.108 1379 Y CB 1.556 40.058 38.460 0.069 0.000 1.180 1379 Y HN 0.493 nan 8.280 nan 0.000 0.458 1380 F N -1.466 118.593 119.950 0.181 0.000 3.012 1380 F HA 0.851 5.377 4.527 -0.002 0.000 0.346 1380 F C 0.907 176.742 175.800 0.059 0.000 1.239 1380 F CA -1.238 56.815 58.000 0.088 0.000 1.028 1380 F CB 0.781 39.792 39.000 0.018 0.000 1.497 1380 F HN 0.482 nan 8.300 nan 0.000 0.521 1381 G N 0.060 108.980 108.800 0.200 0.000 2.160 1381 G HA2 0.091 4.050 3.960 -0.001 0.000 0.244 1381 G HA3 0.091 4.050 3.960 -0.001 0.000 0.244 1381 G C 0.229 175.140 174.900 0.019 0.000 1.022 1381 G CA -0.014 45.117 45.100 0.052 0.000 0.741 1381 G HN 1.335 nan 8.290 nan 0.000 0.508 1382 G N -0.919 107.912 108.800 0.052 0.000 2.563 1382 G HA2 0.553 4.512 3.960 -0.001 0.000 0.283 1382 G HA3 0.553 4.512 3.960 -0.001 0.000 0.283 1382 G C 0.114 175.041 174.900 0.046 0.000 1.309 1382 G CA -0.441 44.692 45.100 0.055 0.000 1.022 1382 G HN 0.488 nan 8.290 nan 0.000 0.501 1383 E N 0.554 120.787 120.200 0.056 0.000 2.384 1383 E HA 0.064 4.413 4.350 -0.001 0.000 0.266 1383 E C -0.079 176.568 176.600 0.079 0.000 1.012 1383 E CA 0.293 56.726 56.400 0.055 0.000 0.901 1383 E CB 0.866 30.597 29.700 0.051 0.000 0.967 1383 E HN 0.405 nan 8.360 nan 0.000 0.435 1384 E N 1.622 121.862 120.200 0.066 0.000 2.392 1384 E HA 0.015 4.364 4.350 -0.001 0.000 0.264 1384 E C -0.521 176.146 176.600 0.111 0.000 1.024 1384 E CA -0.222 56.229 56.400 0.086 0.000 0.903 1384 E CB 0.682 30.423 29.700 0.069 0.000 0.963 1384 E HN 0.397 nan 8.360 nan 0.000 0.432 1385 c N 1.556 120.249 118.600 0.155 0.000 2.347 1385 c HA 0.043 4.612 4.570 -0.001 0.000 0.366 1385 c C 2.250 176.393 174.090 0.088 0.000 1.241 1385 c CA -0.029 56.385 56.329 0.140 0.000 2.360 1385 c CB 0.935 43.560 42.510 0.192 0.000 2.290 1385 c HN 0.977 nan 8.230 nan 0.000 0.587 1386 S N 1.004 116.735 115.700 0.051 0.000 2.440 1386 S HA -0.167 4.302 4.470 -0.001 0.000 0.240 1386 S C 1.602 176.186 174.600 -0.027 0.000 1.014 1386 S CA 1.843 60.051 58.200 0.013 0.000 0.980 1386 S CB -0.622 62.580 63.200 0.003 0.000 0.775 1386 S HN 0.960 nan 8.310 nan 0.000 0.499 1387 S N 0.464 116.130 115.700 -0.057 0.000 2.453 1387 S HA 0.373 4.842 4.470 -0.001 0.000 0.231 1387 S C 1.777 176.330 174.600 -0.077 0.000 1.005 1387 S CA 0.794 58.875 58.200 -0.198 0.000 0.949 1387 S CB -0.729 62.190 63.200 -0.468 0.000 0.774 1387 S HN 1.552 nan 8.310 nan 0.000 0.510 1388 G N 0.204 109.038 108.800 0.056 0.000 2.231 1388 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.206 1388 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.206 1388 G C -0.150 174.875 174.900 0.208 0.000 0.996 1388 G CA -0.161 45.006 45.100 0.110 0.000 0.645 1388 G HN 0.548 nan 8.290 nan 0.000 0.498 1389 F N 3.580 123.609 119.950 0.131 0.000 2.471 1389 F HA 0.561 5.087 4.527 -0.002 0.000 0.365 1389 F C 0.967 176.864 175.800 0.162 0.000 1.095 1389 F CA -0.330 57.795 58.000 0.208 0.000 1.174 1389 F CB 0.570 39.793 39.000 0.371 0.000 1.105 1389 F HN 0.219 nan 8.300 nan 0.000 0.535 1390 Q N 6.077 125.687 119.800 -0.317 0.000 2.274 1390 Q HA 0.102 4.441 4.340 -0.001 0.000 0.280 1390 Q C 0.112 175.974 176.000 -0.230 0.000 1.047 1390 Q CA 0.023 55.709 55.803 -0.195 0.000 0.907 1390 Q CB 0.602 29.243 28.738 -0.162 0.000 1.171 1390 Q HN 0.605 nan 8.270 nan 0.000 0.381 1391 R N 2.585 123.141 120.500 0.093 0.000 2.640 1391 R HA 0.122 4.461 4.340 -0.001 0.000 0.270 1391 R C 0.104 176.546 176.300 0.236 0.000 1.024 1391 R CA 0.598 56.868 56.100 0.283 0.000 1.085 1391 R CB 0.206 30.742 30.300 0.393 0.000 0.963 1391 R HN 0.598 nan 8.270 nan 0.000 0.426 1392 M N -1.108 118.696 119.600 0.339 0.000 2.575 1392 M HA 0.522 5.002 4.480 -0.001 0.000 0.284 1392 M C -1.257 175.251 176.300 0.347 0.000 1.253 1392 M CA -0.743 54.748 55.300 0.317 0.000 0.861 1392 M CB 2.667 35.428 32.600 0.268 0.000 1.733 1392 M HN 0.253 nan 8.290 nan 0.000 0.462 1393 S N 1.254 117.159 115.700 0.341 0.000 2.536 1393 S HA 0.824 5.293 4.470 -0.001 0.000 0.298 1393 S C -1.040 173.717 174.600 0.260 0.000 1.083 1393 S CA -0.801 57.607 58.200 0.347 0.000 0.995 1393 S CB 2.198 65.666 63.200 0.446 0.000 1.058 1393 S HN 0.982 nan 8.310 nan 0.000 0.488 1394 V N 1.194 121.220 119.914 0.186 0.000 2.525 1394 V HA 0.676 4.795 4.120 -0.001 0.000 0.299 1394 V C -1.255 175.040 176.094 0.335 0.000 1.034 1394 V CA -0.721 61.709 62.300 0.217 0.000 0.863 1394 V CB 0.904 32.819 31.823 0.153 0.000 0.999 1394 V HN 0.839 nan 8.190 nan 0.000 0.423 1395 I N 5.746 126.501 120.570 0.309 0.000 2.321 1395 I HA 0.455 4.624 4.170 -0.001 0.000 0.291 1395 I C 0.032 176.258 176.117 0.181 0.000 0.998 1395 I CA -0.385 61.054 61.300 0.233 0.000 1.227 1395 I CB 1.333 39.401 38.000 0.114 0.000 1.368 1395 I HN 0.622 nan 8.210 nan 0.000 0.466 1396 N N 7.195 125.983 118.700 0.147 0.000 2.521 1396 N HA 0.260 4.999 4.740 -0.001 0.000 0.236 1396 N C -0.713 174.849 175.510 0.085 0.000 1.067 1396 N CA -0.186 52.957 53.050 0.155 0.000 0.939 1396 N CB 0.660 39.231 38.487 0.141 0.000 1.201 1396 N HN 0.333 nan 8.380 nan 0.000 0.511 1397 F N 1.102 121.136 119.950 0.140 0.000 2.471 1397 F HA 0.103 4.630 4.527 -0.001 0.000 0.353 1397 F C 1.118 176.981 175.800 0.106 0.000 1.113 1397 F CA 0.051 58.112 58.000 0.103 0.000 1.262 1397 F CB 0.865 39.864 39.000 -0.001 0.000 1.146 1397 F HN 0.272 nan 8.300 nan 0.000 0.578 1398 E N 1.576 121.939 120.200 0.273 0.000 2.248 1398 E HA 0.283 4.632 4.350 -0.001 0.000 0.267 1398 E C -1.339 175.372 176.600 0.184 0.000 0.877 1398 E CA -0.720 55.797 56.400 0.195 0.000 0.759 1398 E CB 1.523 31.311 29.700 0.147 0.000 1.182 1398 E HN 0.686 nan 8.360 nan 0.000 0.418 1399 c N 4.949 123.633 118.600 0.139 0.000 2.632 1399 c HA 0.579 5.148 4.570 -0.001 0.000 0.415 1399 c C -0.544 173.598 174.090 0.088 0.000 1.332 1399 c CA -0.184 56.205 56.329 0.100 0.000 1.874 1399 c CB -0.947 41.606 42.510 0.072 0.000 2.596 1399 c HN 0.644 nan 8.230 nan 0.000 0.590 1400 N N 4.304 123.050 118.700 0.078 0.000 2.812 1400 N HA 0.106 4.845 4.740 -0.001 0.000 0.262 1400 N C 0.471 176.008 175.510 0.044 0.000 1.241 1400 N CA -0.319 52.772 53.050 0.068 0.000 0.854 1400 N CB 1.137 39.681 38.487 0.096 0.000 1.506 1400 N HN 0.824 nan 8.380 nan 0.000 0.576 1401 Q N 0.339 120.149 119.800 0.016 0.000 2.096 1401 Q HA -0.081 4.258 4.340 -0.001 0.000 0.204 1401 Q C 1.430 177.432 176.000 0.003 0.000 0.982 1401 Q CA 2.156 57.952 55.803 -0.012 0.000 0.850 1401 Q CB -0.332 28.397 28.738 -0.016 0.000 0.901 1401 Q HN 0.786 nan 8.270 nan 0.000 0.422 1402 T N -1.708 112.861 114.554 0.024 0.000 3.148 1402 T HA 0.384 4.734 4.350 -0.001 0.000 0.253 1402 T C 0.865 175.598 174.700 0.055 0.000 1.134 1402 T CA 0.307 62.427 62.100 0.033 0.000 1.051 1402 T CB -0.139 68.748 68.868 0.032 0.000 0.959 1402 T HN 0.271 nan 8.240 nan 0.000 0.525 1403 A N 1.343 124.209 122.820 0.075 0.000 2.632 1403 A HA 0.459 4.779 4.320 -0.001 0.000 0.229 1403 A C 1.191 178.846 177.584 0.120 0.000 1.047 1403 A CA 0.169 52.275 52.037 0.114 0.000 0.754 1403 A CB -0.756 18.343 19.000 0.165 0.000 0.969 1403 A HN 0.709 nan 8.150 nan 0.000 0.509 1404 G N 0.661 109.535 108.800 0.125 0.000 2.771 1404 G HA2 0.301 4.260 3.960 -0.001 0.000 0.242 1404 G HA3 0.301 4.260 3.960 -0.001 0.000 0.242 1404 G C 0.309 175.299 174.900 0.150 0.000 1.233 1404 G CA 0.306 45.477 45.100 0.117 0.000 0.858 1404 G HN 1.246 nan 8.290 nan 0.000 0.591 1405 N N -0.039 118.737 118.700 0.126 0.000 2.681 1405 N HA -0.199 4.540 4.740 -0.001 0.000 0.259 1405 N C 0.319 175.922 175.510 0.156 0.000 1.066 1405 N CA 1.171 54.305 53.050 0.140 0.000 0.717 1405 N CB -1.097 37.503 38.487 0.187 0.000 0.885 1405 N HN 0.770 nan 8.380 nan 0.000 0.547 1406 N N -0.758 118.011 118.700 0.114 0.000 2.710 1406 N HA -0.244 4.495 4.740 -0.001 0.000 0.249 1406 N C 1.081 176.663 175.510 0.120 0.000 1.059 1406 N CA 1.897 55.008 53.050 0.102 0.000 0.720 1406 N CB -1.186 37.364 38.487 0.105 0.000 0.983 1406 N HN 0.902 nan 8.380 nan 0.000 0.544 1407 G N -1.317 107.561 108.800 0.131 0.000 2.199 1407 G HA2 -0.415 3.544 3.960 -0.001 0.000 0.254 1407 G HA3 -0.415 3.544 3.960 -0.001 0.000 0.254 1407 G C 1.004 176.072 174.900 0.280 0.000 0.982 1407 G CA 0.519 45.697 45.100 0.130 0.000 0.632 1407 G HN 0.497 nan 8.290 nan 0.000 0.529 1408 R N 0.880 121.610 120.500 0.384 0.000 2.189 1408 R HA 0.261 4.600 4.340 -0.001 0.000 0.223 1408 R C 2.075 178.727 176.300 0.586 0.000 1.092 1408 R CA 1.163 57.574 56.100 0.517 0.000 0.989 1408 R CB -0.390 30.180 30.300 0.449 0.000 0.876 1408 R HN 1.441 nan 8.270 nan 0.000 0.457 1409 G N 0.310 109.379 108.800 0.449 0.000 2.601 1409 G HA2 -0.174 3.785 3.960 -0.001 0.000 0.261 1409 G HA3 -0.174 3.785 3.960 -0.001 0.000 0.261 1409 G C -0.683 174.424 174.900 0.346 0.000 1.289 1409 G CA -0.238 45.115 45.100 0.422 0.000 0.920 1409 G HN 0.622 nan 8.290 nan 0.000 0.571 1410 A N -0.288 122.496 122.820 -0.059 0.000 2.555 1410 A HA 0.815 5.134 4.320 -0.001 0.000 0.297 1410 A C -2.671 174.275 177.584 -1.063 0.000 1.060 1410 A CA -0.006 51.697 52.037 -0.557 0.000 0.710 1410 A CB 1.909 20.847 19.000 -0.103 0.000 1.282 1410 A HN 1.036 nan 8.150 nan 0.000 0.399 1411 P HA 0.401 nan 4.420 nan 0.000 0.272 1411 P C -0.612 176.518 177.300 -0.283 0.000 1.230 1411 P CA -0.015 62.511 63.100 -0.957 0.000 0.788 1411 P CB 1.007 32.111 31.700 -0.992 0.000 0.949 1412 V N 2.780 122.683 119.914 -0.019 0.000 2.524 1412 V HA 0.191 4.310 4.120 -0.001 0.000 0.297 1412 V C -0.079 176.133 176.094 0.197 0.000 1.035 1412 V CA -0.716 61.638 62.300 0.090 0.000 0.867 1412 V CB 1.054 32.892 31.823 0.026 0.000 1.004 1412 V HN 0.463 nan 8.190 nan 0.000 0.426 1413 F N 4.515 124.508 119.950 0.072 0.000 2.572 1413 F HA 0.359 4.885 4.527 -0.001 0.000 0.370 1413 F C 1.386 177.069 175.800 -0.195 0.000 1.103 1413 F CA 1.128 58.961 58.000 -0.277 0.000 1.286 1413 F CB 1.540 40.372 39.000 -0.279 0.000 1.105 1413 F HN 0.710 nan 8.300 nan 0.000 0.583 1414 T N 1.359 115.280 114.554 -1.054 0.000 3.058 1414 T HA 0.606 4.955 4.350 -0.001 0.000 0.247 1414 T C 0.595 174.744 174.700 -0.919 0.000 0.987 1414 T CA 0.250 61.934 62.100 -0.694 0.000 1.062 1414 T CB -0.027 68.619 68.868 -0.371 0.000 1.048 1414 T HN 0.995 nan 8.240 nan 0.000 0.468 1415 G N 0.033 108.052 108.800 -1.302 0.000 2.387 1415 G HA2 0.481 4.440 3.960 -0.001 0.000 0.294 1415 G HA3 0.481 4.440 3.960 -0.001 0.000 0.294 1415 G C -2.252 172.489 174.900 -0.266 0.000 1.509 1415 G CA -0.736 43.932 45.100 -0.720 0.000 0.806 1415 G HN 0.355 nan 8.290 nan 0.000 0.546 1416 E N -0.751 119.480 120.200 0.051 0.000 2.227 1416 E HA 0.692 5.041 4.350 -0.001 0.000 0.268 1416 E C -1.305 175.314 176.600 0.033 0.000 0.907 1416 E CA -0.820 55.613 56.400 0.055 0.000 0.786 1416 E CB 2.393 32.155 29.700 0.102 0.000 1.191 1416 E HN 0.326 nan 8.360 nan 0.000 0.411 1417 V N 4.180 124.088 119.914 -0.009 0.000 2.509 1417 V HA 0.128 4.248 4.120 -0.001 0.000 0.289 1417 V C -1.090 174.948 176.094 -0.094 0.000 1.026 1417 V CA -0.822 61.475 62.300 -0.005 0.000 0.872 1417 V CB 1.506 33.369 31.823 0.067 0.000 1.017 1417 V HN 0.905 nan 8.190 nan 0.000 0.436 1418 D N 3.168 123.533 120.400 -0.058 0.000 2.704 1418 D HA -0.234 4.406 4.640 -0.001 0.000 0.232 1418 D C 0.954 177.210 176.300 -0.073 0.000 1.183 1418 D CA 1.182 55.173 54.000 -0.014 0.000 0.647 1418 D CB -0.865 39.979 40.800 0.074 0.000 1.013 1418 D HN 0.975 nan 8.370 nan 0.000 0.415 1419 c N -1.967 116.538 118.600 -0.157 0.000 4.552 1419 c HA -0.171 4.399 4.570 -0.001 0.000 0.268 1419 c C 0.852 174.770 174.090 -0.287 0.000 1.288 1419 c CA 0.831 57.050 56.329 -0.184 0.000 1.776 1419 c CB -2.371 40.274 42.510 0.224 0.000 1.415 1419 c HN 0.593 nan 8.230 nan 0.000 0.729 1420 T N 0.187 114.476 114.554 -0.441 0.000 2.770 1420 T HA 0.568 4.917 4.350 -0.001 0.000 0.283 1420 T C -0.637 173.606 174.700 -0.762 0.000 0.988 1420 T CA -0.001 61.861 62.100 -0.395 0.000 0.957 1420 T CB 0.668 69.326 68.868 -0.351 0.000 0.930 1420 T HN 0.225 nan 8.240 nan 0.000 0.443 1421 Y N 2.344 122.489 120.300 -0.259 0.000 2.330 1421 Y HA 0.577 5.126 4.550 -0.002 0.000 0.336 1421 Y C -0.244 175.352 175.900 -0.507 0.000 1.036 1421 Y CA -1.241 56.715 58.100 -0.240 0.000 1.125 1421 Y CB 0.721 39.166 38.460 -0.026 0.000 1.194 1421 Y HN 0.525 nan 8.280 nan 0.000 0.469 1422 F N 3.590 123.377 119.950 -0.272 0.000 2.436 1422 F HA 0.598 5.124 4.527 -0.002 0.000 0.340 1422 F C -0.799 174.652 175.800 -0.581 0.000 1.113 1422 F CA -1.030 56.802 58.000 -0.280 0.000 1.022 1422 F CB 0.845 39.683 39.000 -0.271 0.000 1.128 1422 F HN 0.243 nan 8.300 nan 0.000 0.466 1423 F N 0.154 120.163 119.950 0.098 0.000 2.577 1423 F HA 0.628 5.154 4.527 -0.002 0.000 0.318 1423 F C 0.083 175.887 175.800 0.006 0.000 1.065 1423 F CA -0.931 57.079 58.000 0.017 0.000 0.929 1423 F CB 2.178 41.196 39.000 0.030 0.000 1.237 1423 F HN 0.178 nan 8.300 nan 0.000 0.468 1424 T N 1.390 116.041 114.554 0.162 0.000 2.856 1424 T HA 0.347 4.697 4.350 -0.001 0.000 0.283 1424 T C -1.966 172.791 174.700 0.095 0.000 1.008 1424 T CA -0.452 61.701 62.100 0.089 0.000 0.997 1424 T CB 1.171 70.066 68.868 0.045 0.000 0.992 1424 T HN 0.512 nan 8.240 nan 0.000 0.454 1425 W N 3.552 124.726 121.300 -0.210 0.000 2.740 1425 W HA 0.339 4.999 4.660 -0.001 0.000 0.316 1425 W C -1.752 174.719 176.519 -0.079 0.000 1.020 1425 W CA -1.360 55.830 57.345 -0.258 0.000 1.278 1425 W CB 0.631 29.672 29.460 -0.699 0.000 1.224 1425 W HN 0.543 nan 8.180 nan 0.000 0.393 1426 D N 2.985 123.618 120.400 0.389 0.000 2.317 1426 D HA 0.434 5.073 4.640 -0.001 0.000 0.252 1426 D C 0.152 176.690 176.300 0.397 0.000 1.174 1426 D CA 1.132 55.317 54.000 0.307 0.000 0.866 1426 D CB 1.641 42.558 40.800 0.195 0.000 1.127 1426 D HN 0.093 nan 8.370 nan 0.000 0.467 1427 T N -0.046 114.693 114.554 0.309 0.000 2.840 1427 T HA 0.232 4.581 4.350 -0.001 0.000 0.317 1427 T C 0.600 175.389 174.700 0.148 0.000 1.401 1427 T CA -0.799 61.469 62.100 0.279 0.000 1.028 1427 T CB 1.068 70.114 68.868 0.297 0.000 1.317 1427 T HN 0.391 nan 8.240 nan 0.000 0.495 1428 K N 1.301 121.732 120.400 0.052 0.000 2.103 1428 K HA -0.026 4.293 4.320 -0.001 0.000 0.204 1428 K C 1.017 177.519 176.600 -0.163 0.000 1.052 1428 K CA 1.304 57.528 56.287 -0.105 0.000 0.945 1428 K CB -0.514 31.843 32.500 -0.239 0.000 0.722 1428 K HN 0.629 nan 8.250 nan 0.000 0.443 1429 Y N 1.319 121.594 120.300 -0.041 0.000 2.736 1429 Y HA -0.066 4.483 4.550 -0.001 0.000 0.298 1429 Y C 1.900 177.696 175.900 -0.173 0.000 1.156 1429 Y CA 0.596 58.625 58.100 -0.118 0.000 1.384 1429 Y CB -0.160 38.200 38.460 -0.167 0.000 0.976 1429 Y HN 0.289 nan 8.280 nan 0.000 0.556 1430 A N -1.802 121.019 122.820 0.000 0.000 2.470 1430 A HA 0.243 4.563 4.320 -0.001 0.000 0.251 1430 A C 0.099 177.680 177.584 -0.004 0.000 1.245 1430 A CA -0.325 51.703 52.037 -0.016 0.000 0.932 1430 A CB -0.547 18.523 19.000 0.118 0.000 1.037 1430 A HN 0.265 nan 8.150 nan 0.000 0.522 1431 c N 0.626 119.207 118.600 -0.031 0.000 2.369 1431 c HA 0.528 5.097 4.570 -0.001 0.000 0.358 1431 c C 1.099 175.144 174.090 -0.075 0.000 1.274 1431 c CA -0.891 55.420 56.329 -0.030 0.000 1.935 1431 c CB 0.235 42.725 42.510 -0.033 0.000 2.431 1431 c HN 0.377 nan 8.230 nan 0.000 0.545 1432 V N 0.000 119.866 119.914 -0.080 0.000 2.409 1432 V HA 0.000 4.119 4.120 -0.001 0.000 0.244 1432 V CA 0.000 62.216 62.300 -0.139 0.000 1.235 1432 V CB 0.000 31.730 31.823 -0.155 0.000 1.184 1432 V HN 0.000 nan 8.190 nan 0.000 0.556