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 3cnz_1_B DATA FIRST_RESID 889 DATA SEQUENCE KIRVYCRLRP LCEKEIIAKE RNAXXXVDEF TVEHLWKXXX XKQHMYDRVF DATA SEQUENCE DGNATQDDVF EDTKYLVQSA VDGYNVCIFA YGQTGSGKTF TIYGADSNPG DATA SEQUENCE LTPRAMSELF RIMKKDSNKF SFSLKAYMVE LYQDTLVDLL LPKQAKRLKL DATA SEQUENCE DIKKDSKGMV SVENVTVVSI STYEELKTII QRGSEQRHXX XTLMNEQSSR DATA SEQUENCE SHLIVSVIIE STNLQTQAIA RGKLSFVDLA GSERVXXXXX XXXXXXXXXX DATA SEQUENCE XNKSLSALGD VISALSSGNQ HIPYRNHKLT MLMSDSLGGN AKTLMFVNIS DATA SEQUENCE PAESNLDETH NSLTYASRVR SIVNDPSKNV SSKEVARLKK LVSYWKEQAX DATA SEQUENCE XXXXXXELEE IQDE 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 889 K HA 0.000 nan 4.320 nan 0.000 0.191 889 K C 0.000 176.601 176.600 0.001 0.000 0.988 889 K CA 0.000 56.284 56.287 -0.005 0.000 0.838 889 K CB 0.000 32.500 32.500 0.001 0.000 1.064 890 I N 4.075 124.658 120.570 0.021 0.000 2.906 890 I HA -0.120 4.050 4.170 0.000 0.000 0.302 890 I C 0.633 176.775 176.117 0.042 0.000 1.220 890 I CA 0.363 61.687 61.300 0.040 0.000 1.441 890 I CB 0.223 38.269 38.000 0.076 0.000 1.336 890 I HN 0.195 nan 8.210 nan 0.000 0.565 891 R N 5.003 125.527 120.500 0.041 0.000 2.549 891 R HA 0.761 5.101 4.340 0.000 0.000 0.259 891 R C -0.791 175.555 176.300 0.077 0.000 1.095 891 R CA -0.780 55.364 56.100 0.073 0.000 1.148 891 R CB 1.375 31.740 30.300 0.107 0.000 1.181 891 R HN 0.381 nan 8.270 nan 0.000 0.571 892 V N 1.337 121.341 119.914 0.151 0.000 2.891 892 V HA 0.322 4.442 4.120 0.000 0.000 0.304 892 V C -1.648 174.569 176.094 0.205 0.000 1.171 892 V CA -0.843 61.517 62.300 0.100 0.000 0.943 892 V CB 2.138 34.057 31.823 0.161 0.000 1.037 892 V HN 0.532 nan 8.190 nan 0.000 0.427 893 Y N 2.154 122.231 120.300 -0.372 0.000 2.338 893 Y HA 0.554 5.104 4.550 0.000 0.000 0.333 893 Y C 0.183 175.940 175.900 -0.239 0.000 0.968 893 Y CA -0.994 56.911 58.100 -0.326 0.000 1.123 893 Y CB 1.792 39.926 38.460 -0.544 0.000 1.165 893 Y HN 0.775 nan 8.280 nan 0.000 0.452 894 C N 6.251 125.483 119.300 -0.113 0.000 2.347 894 C HA 0.648 5.108 4.460 0.000 0.000 0.353 894 C C 0.070 175.132 174.990 0.119 0.000 1.273 894 C CA -0.447 58.474 59.018 -0.162 0.000 1.861 894 C CB -0.517 27.034 27.740 -0.315 0.000 2.420 894 C HN 0.917 nan 8.230 nan 0.000 0.542 895 R N 6.517 127.127 120.500 0.184 0.000 2.467 895 R HA 0.468 4.808 4.340 0.000 0.000 0.299 895 R C -0.794 175.589 176.300 0.140 0.000 1.120 895 R CA -0.477 55.787 56.100 0.273 0.000 0.940 895 R CB 0.623 31.152 30.300 0.383 0.000 1.161 895 R HN 0.849 nan 8.270 nan 0.000 0.506 896 L N 3.465 124.752 121.223 0.107 0.000 2.470 896 L HA 0.470 4.810 4.340 0.000 0.000 0.243 896 L C 0.678 177.576 176.870 0.047 0.000 1.227 896 L CA -0.298 54.576 54.840 0.057 0.000 0.824 896 L CB 0.379 42.467 42.059 0.049 0.000 1.175 896 L HN 0.601 nan 8.230 nan 0.000 0.503 897 R N -0.376 120.127 120.500 0.006 0.000 2.764 897 R HA 0.605 4.945 4.340 0.000 0.000 0.270 897 R C -2.923 173.353 176.300 -0.041 0.000 1.014 897 R CA -1.676 54.400 56.100 -0.041 0.000 0.904 897 R CB 0.990 31.232 30.300 -0.097 0.000 1.236 897 R HN 0.242 nan 8.270 nan 0.000 0.466 898 P HA 0.120 nan 4.420 nan 0.000 0.286 898 P C -0.495 176.775 177.300 -0.050 0.000 1.293 898 P CA -0.535 62.536 63.100 -0.048 0.000 0.770 898 P CB 0.637 32.302 31.700 -0.059 0.000 1.206 899 L N 0.828 122.030 121.223 -0.035 0.000 2.278 899 L HA 0.122 4.462 4.340 0.000 0.000 0.287 899 L C 2.084 178.930 176.870 -0.040 0.000 1.072 899 L CA -0.735 54.088 54.840 -0.029 0.000 0.819 899 L CB 0.363 42.414 42.059 -0.013 0.000 1.176 899 L HN 0.561 nan 8.230 nan 0.000 0.435 900 C N 0.344 119.617 119.300 -0.046 0.000 2.395 900 C HA -0.177 4.284 4.460 0.000 0.000 0.287 900 C C 1.088 176.057 174.990 -0.035 0.000 1.281 900 C CA 0.468 59.456 59.018 -0.051 0.000 1.818 900 C CB -1.345 26.366 27.740 -0.048 0.000 1.990 900 C HN 1.064 nan 8.230 nan 0.000 0.516 901 E N -1.432 118.754 120.200 -0.024 0.000 3.828 901 E HA -0.179 4.171 4.350 0.000 0.000 0.329 901 E C 0.756 177.349 176.600 -0.010 0.000 0.788 901 E CA 0.746 57.137 56.400 -0.015 0.000 1.266 901 E CB -0.844 28.848 29.700 -0.014 0.000 1.643 901 E HN 0.579 nan 8.360 nan 0.000 0.409 902 K N 0.302 120.695 120.400 -0.012 0.000 2.262 902 K HA 0.094 4.414 4.320 0.000 0.000 0.200 902 K C 1.626 178.224 176.600 -0.003 0.000 1.058 902 K CA 1.111 57.394 56.287 -0.007 0.000 0.974 902 K CB 0.192 32.686 32.500 -0.009 0.000 0.910 902 K HN 0.259 nan 8.250 nan 0.000 0.484 903 E N 0.539 120.736 120.200 -0.004 0.000 2.158 903 E HA 0.020 4.370 4.350 0.000 0.000 0.191 903 E C 1.949 178.550 176.600 0.003 0.000 0.982 903 E CA 0.427 56.828 56.400 0.001 0.000 0.823 903 E CB 0.025 29.726 29.700 0.002 0.000 0.766 903 E HN 0.105 nan 8.360 nan 0.000 0.468 904 I N 1.524 122.094 120.570 0.000 0.000 2.454 904 I HA -0.238 3.932 4.170 0.000 0.000 0.254 904 I C 1.742 177.860 176.117 0.002 0.000 1.156 904 I CA 0.579 61.880 61.300 0.002 0.000 1.433 904 I CB 0.048 38.048 38.000 -0.001 0.000 1.082 904 I HN 0.143 nan 8.210 nan 0.000 0.432 905 I N 1.043 121.614 120.570 0.001 0.000 2.264 905 I HA -0.250 3.920 4.170 0.000 0.000 0.248 905 I C 2.377 178.496 176.117 0.004 0.000 1.111 905 I CA 1.567 62.869 61.300 0.002 0.000 1.382 905 I CB -1.743 36.258 38.000 0.002 0.000 1.060 905 I HN 0.213 nan 8.210 nan 0.000 0.418 906 A N 0.409 123.231 122.820 0.005 0.000 2.337 906 A HA 0.045 4.365 4.320 0.000 0.000 0.227 906 A C 1.054 178.643 177.584 0.007 0.000 1.259 906 A CA -0.133 51.908 52.037 0.006 0.000 0.870 906 A CB -0.688 18.317 19.000 0.007 0.000 0.927 906 A HN 0.524 nan 8.150 nan 0.000 0.497 907 K N 0.421 120.825 120.400 0.007 0.000 2.975 907 K HA -0.189 4.131 4.320 0.000 0.000 0.257 907 K C -0.498 176.109 176.600 0.011 0.000 1.005 907 K CA 0.914 57.206 56.287 0.008 0.000 0.738 907 K CB -1.751 30.754 32.500 0.008 0.000 1.236 907 K HN 0.522 nan 8.250 nan 0.000 0.483 908 E N 1.973 122.180 120.200 0.011 0.000 2.534 908 E HA -0.099 4.251 4.350 0.000 0.000 0.264 908 E C 0.517 177.128 176.600 0.019 0.000 0.981 908 E CA 0.642 57.051 56.400 0.016 0.000 0.948 908 E CB 0.460 30.169 29.700 0.015 0.000 0.934 908 E HN 0.199 nan 8.360 nan 0.000 0.459 909 R N 2.511 123.026 120.500 0.025 0.000 2.531 909 R HA 0.184 4.524 4.340 0.000 0.000 0.273 909 R C 0.442 176.763 176.300 0.035 0.000 1.070 909 R CA -0.712 55.405 56.100 0.029 0.000 1.112 909 R CB 0.154 30.474 30.300 0.034 0.000 1.049 909 R HN 0.274 nan 8.270 nan 0.000 0.508 910 N N 1.100 119.821 118.700 0.035 0.000 2.415 910 N HA 0.133 4.873 4.740 0.000 0.000 0.246 910 N C -0.652 174.890 175.510 0.055 0.000 1.078 910 N CA -0.041 53.032 53.050 0.038 0.000 0.942 910 N CB 0.885 39.391 38.487 0.032 0.000 1.140 910 N HN 0.660 nan 8.380 nan 0.000 0.501 916 D N -0.181 120.247 120.400 0.047 0.000 2.781 916 D HA 0.324 4.964 4.640 0.000 0.000 0.295 916 D C 0.082 176.384 176.300 0.003 0.000 1.143 916 D CA -0.528 53.501 54.000 0.049 0.000 1.076 916 D CB 1.126 41.984 40.800 0.097 0.000 1.444 916 D HN 0.223 nan 8.370 nan 0.000 0.567 917 E N -1.211 118.974 120.200 -0.024 0.000 2.438 917 E HA 0.127 4.477 4.350 0.000 0.000 0.192 917 E C -0.311 175.876 176.600 -0.689 0.000 1.110 917 E CA 0.217 56.423 56.400 -0.323 0.000 0.893 917 E CB -0.204 29.270 29.700 -0.376 0.000 0.990 917 E HN 0.300 nan 8.360 nan 0.000 0.490 918 F N -1.630 118.253 119.950 -0.112 0.000 3.031 918 F HA 0.159 4.686 4.527 0.000 0.000 0.365 918 F C 0.069 175.838 175.800 -0.051 0.000 1.128 918 F CA -0.199 57.738 58.000 -0.105 0.000 1.068 918 F CB 1.383 40.318 39.000 -0.110 0.000 1.280 918 F HN -0.248 nan 8.300 nan 0.000 0.529 919 T N 0.953 115.579 114.554 0.120 0.000 2.889 919 T HA 0.643 4.993 4.350 0.000 0.000 0.315 919 T C -1.155 173.620 174.700 0.125 0.000 1.291 919 T CA -0.786 61.381 62.100 0.111 0.000 1.028 919 T CB 2.612 71.521 68.868 0.067 0.000 1.235 919 T HN -0.094 nan 8.240 nan 0.000 0.491 920 V N -0.220 119.807 119.914 0.188 0.000 2.914 920 V HA 1.006 5.126 4.120 0.000 0.000 0.314 920 V C -1.053 175.179 176.094 0.230 0.000 1.084 920 V CA -0.936 61.482 62.300 0.197 0.000 0.963 920 V CB 1.946 33.899 31.823 0.216 0.000 1.025 920 V HN 0.993 nan 8.190 nan 0.000 0.432 921 E N 3.080 123.412 120.200 0.219 0.000 2.308 921 E HA 0.729 5.079 4.350 0.000 0.000 0.275 921 E C -1.350 175.444 176.600 0.324 0.000 0.890 921 E CA -0.483 56.064 56.400 0.244 0.000 0.754 921 E CB 1.633 31.410 29.700 0.127 0.000 1.207 921 E HN 1.238 nan 8.360 nan 0.000 0.426 922 H N 3.359 122.514 119.070 0.142 0.000 3.042 922 H HA 0.283 4.839 4.556 0.000 0.000 0.346 922 H C -1.294 174.139 175.328 0.176 0.000 1.294 922 H CA -1.018 55.122 56.048 0.153 0.000 1.141 922 H CB 0.183 30.057 29.762 0.187 0.000 1.872 922 H HN 0.541 nan 8.280 nan 0.000 0.541 923 L N 1.563 122.789 121.223 0.006 0.000 2.482 923 L HA 0.169 4.509 4.340 0.000 0.000 0.273 923 L C -0.072 176.767 176.870 -0.051 0.000 1.228 923 L CA 0.640 55.461 54.840 -0.031 0.000 0.827 923 L CB 0.250 42.325 42.059 0.026 0.000 1.099 923 L HN 0.848 nan 8.230 nan 0.000 0.494 924 W N 4.362 125.529 121.300 -0.222 0.000 3.146 924 W HA 0.236 4.896 4.660 0.000 0.000 0.319 924 W C -1.079 175.367 176.519 -0.122 0.000 1.258 924 W CA -0.850 56.374 57.345 -0.202 0.000 1.189 924 W CB 1.655 30.944 29.460 -0.286 0.000 1.412 924 W HN 0.547 nan 8.180 nan 0.000 0.567 931 Q N 2.092 121.778 119.800 -0.190 0.000 2.337 931 Q HA 0.323 4.663 4.340 0.000 0.000 0.270 931 Q C -1.408 174.406 176.000 -0.311 0.000 1.043 931 Q CA -0.631 55.092 55.803 -0.134 0.000 0.794 931 Q CB 2.076 30.749 28.738 -0.108 0.000 1.281 931 Q HN 0.569 nan 8.270 nan 0.000 0.446 932 H N 1.472 120.552 119.070 0.017 0.000 2.589 932 H HA 0.462 5.018 4.556 0.000 0.000 0.335 932 H C -0.544 174.679 175.328 -0.175 0.000 1.019 932 H CA -0.293 55.719 56.048 -0.060 0.000 1.213 932 H CB 1.207 31.040 29.762 0.117 0.000 1.472 932 H HN 0.345 nan 8.280 nan 0.000 0.508 933 M N 4.021 123.448 119.600 -0.289 0.000 2.205 933 M HA 0.369 4.849 4.480 0.000 0.000 0.344 933 M C -1.329 174.591 176.300 -0.633 0.000 1.085 933 M CA -0.513 54.614 55.300 -0.289 0.000 1.001 933 M CB 1.231 33.729 32.600 -0.170 0.000 1.626 933 M HN 0.501 nan 8.290 nan 0.000 0.442 934 Y N -0.356 119.962 120.300 0.030 0.000 2.605 934 Y HA 0.256 4.806 4.550 0.000 0.000 0.343 934 Y C 0.420 176.301 175.900 -0.033 0.000 1.036 934 Y CA -0.991 57.096 58.100 -0.023 0.000 1.065 934 Y CB 1.082 39.499 38.460 -0.073 0.000 1.288 934 Y HN 0.653 nan 8.280 nan 0.000 0.481 935 D N 0.178 120.628 120.400 0.082 0.000 2.403 935 D HA 0.028 4.668 4.640 0.000 0.000 0.227 935 D C 0.316 176.401 176.300 -0.358 0.000 0.995 935 D CA 1.126 55.118 54.000 -0.013 0.000 0.928 935 D CB 0.200 40.996 40.800 -0.008 0.000 0.887 935 D HN 0.220 nan 8.370 nan 0.000 0.529 936 R N -1.352 118.813 120.500 -0.559 0.000 2.829 936 R HA 0.461 4.801 4.340 0.000 0.000 0.283 936 R C -2.492 173.364 176.300 -0.741 0.000 1.013 936 R CA -0.715 54.771 56.100 -1.024 0.000 0.848 936 R CB 0.863 30.286 30.300 -1.462 0.000 1.291 936 R HN -0.200 nan 8.270 nan 0.000 0.496 937 V N 2.468 121.861 119.914 -0.869 0.000 2.697 937 V HA 0.486 4.606 4.120 0.000 0.000 0.296 937 V C -1.366 174.384 176.094 -0.573 0.000 1.140 937 V CA -0.617 61.377 62.300 -0.510 0.000 0.921 937 V CB 1.627 33.322 31.823 -0.213 0.000 1.036 937 V HN 0.571 nan 8.190 nan 0.000 0.438 938 F N 4.422 124.356 119.950 -0.027 0.000 2.361 938 F HA 0.455 4.982 4.527 0.000 0.000 0.364 938 F C 0.985 176.801 175.800 0.026 0.000 1.120 938 F CA -0.881 57.130 58.000 0.019 0.000 1.102 938 F CB 0.855 39.910 39.000 0.092 0.000 1.183 938 F HN 0.675 nan 8.300 nan 0.000 0.476 939 D N 1.651 122.139 120.400 0.147 0.000 2.349 939 D HA 0.012 4.652 4.640 0.000 0.000 0.239 939 D C 1.447 177.818 176.300 0.118 0.000 1.315 939 D CA 0.045 54.106 54.000 0.103 0.000 0.937 939 D CB 0.411 41.251 40.800 0.068 0.000 1.133 939 D HN 0.590 nan 8.370 nan 0.000 0.489 940 G N 0.105 108.948 108.800 0.073 0.000 2.476 940 G HA2 -0.330 3.630 3.960 0.000 0.000 0.218 940 G HA3 -0.330 3.630 3.960 0.000 0.000 0.218 940 G C 1.216 176.146 174.900 0.050 0.000 1.164 940 G CA 0.500 45.628 45.100 0.047 0.000 0.768 940 G HN 0.613 nan 8.290 nan 0.000 0.560 941 N N 1.628 120.361 118.700 0.056 0.000 2.585 941 N HA 0.000 4.740 4.740 0.000 0.000 0.188 941 N C 1.132 176.691 175.510 0.082 0.000 1.102 941 N CA 0.720 53.804 53.050 0.056 0.000 0.920 941 N CB -0.178 38.340 38.487 0.051 0.000 0.963 941 N HN 0.331 nan 8.380 nan 0.000 0.447 942 A N 1.938 124.830 122.820 0.120 0.000 2.489 942 A HA 0.185 4.505 4.320 0.000 0.000 0.289 942 A C 0.986 178.625 177.584 0.091 0.000 1.216 942 A CA -0.374 51.757 52.037 0.156 0.000 0.883 942 A CB -0.443 18.743 19.000 0.310 0.000 1.110 942 A HN 0.299 nan 8.150 nan 0.000 0.523 943 T N 0.886 115.485 114.554 0.075 0.000 2.802 943 T HA 0.091 4.441 4.350 0.000 0.000 0.305 943 T C 0.997 175.706 174.700 0.015 0.000 1.053 943 T CA -0.259 61.878 62.100 0.061 0.000 1.058 943 T CB 0.507 69.407 68.868 0.053 0.000 0.988 943 T HN 0.618 nan 8.240 nan 0.000 0.539 944 Q N 0.400 120.204 119.800 0.008 0.000 2.376 944 Q HA -0.160 4.180 4.340 0.000 0.000 0.211 944 Q C 1.633 177.601 176.000 -0.053 0.000 0.986 944 Q CA 1.936 57.691 55.803 -0.080 0.000 0.886 944 Q CB -0.451 28.190 28.738 -0.162 0.000 0.927 944 Q HN 0.941 nan 8.270 nan 0.000 0.457 945 D N 0.584 120.978 120.400 -0.009 0.000 2.110 945 D HA -0.114 4.526 4.640 0.000 0.000 0.202 945 D C 1.278 177.627 176.300 0.083 0.000 0.975 945 D CA 0.991 55.014 54.000 0.038 0.000 0.839 945 D CB 0.208 41.028 40.800 0.034 0.000 0.996 945 D HN 0.091 nan 8.370 nan 0.000 0.464 946 D N 0.007 120.445 120.400 0.064 0.000 2.178 946 D HA -0.121 4.519 4.640 0.000 0.000 0.201 946 D C 2.249 178.588 176.300 0.064 0.000 0.980 946 D CA 0.746 54.812 54.000 0.111 0.000 0.842 946 D CB 0.159 41.054 40.800 0.159 0.000 0.948 946 D HN 0.203 nan 8.370 nan 0.000 0.472 947 V N 0.866 120.685 119.914 -0.159 0.000 2.358 947 V HA -0.213 3.907 4.120 0.000 0.000 0.246 947 V C 2.104 178.192 176.094 -0.010 0.000 1.047 947 V CA 1.152 63.213 62.300 -0.399 0.000 1.035 947 V CB -0.580 30.972 31.823 -0.452 0.000 0.658 947 V HN 0.079 nan 8.190 nan 0.000 0.452 948 F N 0.904 120.800 119.950 -0.090 0.000 2.661 948 F HA 0.013 4.540 4.527 0.000 0.000 0.298 948 F C 2.165 177.971 175.800 0.011 0.000 1.137 948 F CA 1.258 59.226 58.000 -0.053 0.000 1.454 948 F CB 0.078 39.022 39.000 -0.094 0.000 1.103 948 F HN 0.164 nan 8.300 nan 0.000 0.577 949 E N 0.228 120.479 120.200 0.085 0.000 2.076 949 E HA -0.159 4.191 4.350 0.000 0.000 0.190 949 E C 1.733 178.380 176.600 0.078 0.000 0.979 949 E CA 1.514 57.953 56.400 0.065 0.000 0.807 949 E CB -0.325 29.454 29.700 0.132 0.000 0.761 949 E HN 0.315 nan 8.360 nan 0.000 0.454 950 D N -0.972 119.555 120.400 0.211 0.000 2.363 950 D HA -0.048 4.592 4.640 0.000 0.000 0.220 950 D C 0.910 177.461 176.300 0.418 0.000 0.994 950 D CA 1.455 55.688 54.000 0.390 0.000 0.890 950 D CB 0.353 41.554 40.800 0.668 0.000 0.906 950 D HN 0.354 nan 8.370 nan 0.000 0.530 951 T N -2.929 111.636 114.554 0.019 0.000 3.003 951 T HA 0.093 4.443 4.350 0.000 0.000 0.261 951 T C 1.568 175.733 174.700 -0.892 0.000 1.003 951 T CA -0.345 61.488 62.100 -0.445 0.000 0.917 951 T CB 0.663 69.299 68.868 -0.386 0.000 1.084 951 T HN -0.085 nan 8.240 nan 0.000 0.522 952 K N 1.250 121.263 120.400 -0.645 0.000 2.144 952 K HA -0.296 4.024 4.320 0.000 0.000 0.209 952 K C 2.006 178.346 176.600 -0.434 0.000 1.047 952 K CA 2.286 58.161 56.287 -0.687 0.000 0.927 952 K CB -0.614 31.675 32.500 -0.351 0.000 0.716 952 K HN 0.709 nan 8.250 nan 0.000 0.454 953 Y N 0.047 120.246 120.300 -0.167 0.000 2.014 953 Y HA -0.295 4.255 4.550 0.000 0.000 0.272 953 Y C 1.945 177.786 175.900 -0.098 0.000 1.164 953 Y CA 1.501 59.538 58.100 -0.104 0.000 1.114 953 Y CB -1.120 37.294 38.460 -0.077 0.000 0.961 953 Y HN -0.055 nan 8.280 nan 0.000 0.489 954 L N 0.411 121.370 121.223 -0.440 0.000 2.082 954 L HA -0.330 4.010 4.340 0.000 0.000 0.223 954 L C 2.461 179.236 176.870 -0.158 0.000 1.086 954 L CA 1.903 56.605 54.840 -0.231 0.000 0.793 954 L CB -1.114 40.651 42.059 -0.490 0.000 0.896 954 L HN 0.295 nan 8.230 nan 0.000 0.441 955 V N -0.735 119.053 119.914 -0.211 0.000 2.876 955 V HA -0.326 3.794 4.120 0.000 0.000 0.265 955 V C 2.193 178.266 176.094 -0.033 0.000 1.135 955 V CA 2.130 64.383 62.300 -0.078 0.000 1.152 955 V CB -0.632 31.153 31.823 -0.063 0.000 0.727 955 V HN 0.546 nan 8.190 nan 0.000 0.511 956 Q N -1.014 118.778 119.800 -0.014 0.000 2.548 956 Q HA 0.050 4.390 4.340 0.000 0.000 0.230 956 Q C 2.272 178.301 176.000 0.048 0.000 0.899 956 Q CA 1.282 57.094 55.803 0.014 0.000 0.936 956 Q CB -0.004 28.752 28.738 0.029 0.000 1.114 956 Q HN 0.463 nan 8.270 nan 0.000 0.606 957 S N 0.968 116.717 115.700 0.080 0.000 2.374 957 S HA -0.223 4.247 4.470 0.000 0.000 0.227 957 S C 1.923 176.632 174.600 0.182 0.000 1.037 957 S CA 1.261 59.550 58.200 0.149 0.000 1.024 957 S CB -0.658 62.589 63.200 0.077 0.000 0.861 957 S HN 0.567 nan 8.310 nan 0.000 0.456 958 A N 1.341 124.215 122.820 0.089 0.000 1.908 958 A HA -0.093 4.227 4.320 0.000 0.000 0.218 958 A C 2.451 180.067 177.584 0.053 0.000 1.181 958 A CA 1.884 53.962 52.037 0.069 0.000 0.627 958 A CB -1.004 18.002 19.000 0.011 0.000 0.818 958 A HN 0.640 nan 8.150 nan 0.000 0.445 959 V N -2.543 117.390 119.914 0.033 0.000 2.871 959 V HA -0.076 4.044 4.120 0.000 0.000 0.256 959 V C 1.429 177.498 176.094 -0.042 0.000 1.082 959 V CA 2.139 64.449 62.300 0.017 0.000 1.105 959 V CB -0.684 31.162 31.823 0.038 0.000 0.713 959 V HN 0.333 nan 8.190 nan 0.000 0.473 960 D N 1.660 122.058 120.400 -0.003 0.000 2.264 960 D HA 0.171 4.811 4.640 0.000 0.000 0.208 960 D C 1.755 178.010 176.300 -0.075 0.000 0.966 960 D CA 1.758 55.742 54.000 -0.026 0.000 0.864 960 D CB 0.307 41.156 40.800 0.081 0.000 0.933 960 D HN 0.789 nan 8.370 nan 0.000 0.499 961 G N -1.331 107.433 108.800 -0.059 0.000 2.200 961 G HA2 -0.181 3.779 3.960 0.000 0.000 0.145 961 G HA3 -0.181 3.779 3.960 0.000 0.000 0.145 961 G C -0.280 174.516 174.900 -0.173 0.000 1.021 961 G CA -0.670 44.350 45.100 -0.133 0.000 0.720 961 G HN 0.158 nan 8.290 nan 0.000 0.494 962 Y N 0.257 120.548 120.300 -0.014 0.000 2.403 962 Y HA 0.620 5.170 4.550 0.000 0.000 0.323 962 Y C 0.649 176.538 175.900 -0.018 0.000 1.226 962 Y CA -0.851 57.242 58.100 -0.011 0.000 1.235 962 Y CB 1.280 39.737 38.460 -0.005 0.000 1.248 962 Y HN 0.093 nan 8.280 nan 0.000 0.489 963 N N 1.030 119.857 118.700 0.210 0.000 2.801 963 N HA 0.291 5.031 4.740 0.000 0.000 0.235 963 N C -1.702 173.840 175.510 0.052 0.000 1.069 963 N CA -0.145 52.959 53.050 0.091 0.000 0.946 963 N CB 0.110 38.636 38.487 0.065 0.000 1.212 963 N HN 0.312 nan 8.380 nan 0.000 0.509 964 V N 1.765 121.682 119.914 0.004 0.000 2.775 964 V HA 0.289 4.409 4.120 0.000 0.000 0.299 964 V C 0.324 176.342 176.094 -0.127 0.000 1.062 964 V CA -0.754 61.505 62.300 -0.068 0.000 1.063 964 V CB 0.994 32.744 31.823 -0.121 0.000 0.994 964 V HN 0.739 nan 8.190 nan 0.000 0.483 965 C N 6.614 125.845 119.300 -0.114 0.000 2.551 965 C HA 0.678 5.138 4.460 0.000 0.000 0.332 965 C C -0.854 174.101 174.990 -0.058 0.000 1.139 965 C CA -0.568 58.389 59.018 -0.102 0.000 1.328 965 C CB -0.177 27.555 27.740 -0.013 0.000 1.903 965 C HN 0.808 nan 8.230 nan 0.000 0.459 966 I N 7.006 127.500 120.570 -0.127 0.000 2.439 966 I HA 0.547 4.717 4.170 0.000 0.000 0.285 966 I C -0.338 175.881 176.117 0.170 0.000 1.021 966 I CA -0.300 60.991 61.300 -0.014 0.000 1.091 966 I CB 1.014 38.939 38.000 -0.126 0.000 1.242 966 I HN 0.717 nan 8.210 nan 0.000 0.439 967 F N 4.435 124.433 119.950 0.080 0.000 2.611 967 F HA 0.984 5.511 4.527 0.000 0.000 0.324 967 F C -0.601 175.313 175.800 0.190 0.000 1.061 967 F CA -0.922 57.147 58.000 0.114 0.000 0.954 967 F CB 1.552 40.598 39.000 0.076 0.000 1.301 967 F HN 0.399 nan 8.300 nan 0.000 0.482 968 A N 1.797 124.709 122.820 0.153 0.000 2.355 968 A HA 0.739 5.059 4.320 0.000 0.000 0.324 968 A C -2.310 175.428 177.584 0.257 0.000 1.117 968 A CA -0.690 51.401 52.037 0.089 0.000 0.785 968 A CB 1.105 20.161 19.000 0.093 0.000 1.254 968 A HN 0.954 nan 8.150 nan 0.000 0.453 969 Y N 0.429 120.762 120.300 0.056 0.000 2.457 969 Y HA 0.632 5.182 4.550 0.000 0.000 0.343 969 Y C 0.108 176.048 175.900 0.067 0.000 0.994 969 Y CA 0.300 58.471 58.100 0.119 0.000 1.031 969 Y CB 2.081 40.644 38.460 0.171 0.000 1.246 969 Y HN 1.522 nan 8.280 nan 0.000 0.449 970 G N 4.302 113.037 108.800 -0.109 0.000 2.336 970 G HA2 0.246 4.206 3.960 0.000 0.000 0.300 970 G HA3 0.246 4.206 3.960 0.000 0.000 0.300 970 G C -2.026 172.816 174.900 -0.095 0.000 1.375 970 G CA -0.836 44.265 45.100 0.002 0.000 0.885 970 G HN 0.821 nan 8.290 nan 0.000 0.599 971 Q N -0.356 119.430 119.800 -0.023 0.000 2.317 971 Q HA 0.567 4.907 4.340 0.000 0.000 0.229 971 Q C -0.165 175.822 176.000 -0.022 0.000 0.984 971 Q CA -0.087 55.700 55.803 -0.028 0.000 0.911 971 Q CB 0.694 29.439 28.738 0.012 0.000 1.217 971 Q HN 0.408 nan 8.270 nan 0.000 0.501 972 T N 1.226 115.766 114.554 -0.024 0.000 2.871 972 T HA 0.307 4.657 4.350 0.000 0.000 0.296 972 T C 0.975 175.668 174.700 -0.013 0.000 0.998 972 T CA 0.970 63.059 62.100 -0.019 0.000 1.162 972 T CB 0.076 68.934 68.868 -0.017 0.000 0.947 972 T HN 0.958 nan 8.240 nan 0.000 0.536 973 G N 2.390 111.180 108.800 -0.017 0.000 2.194 973 G HA2 -0.340 3.620 3.960 0.000 0.000 0.236 973 G HA3 -0.340 3.620 3.960 0.000 0.000 0.236 973 G C 1.290 176.173 174.900 -0.028 0.000 0.987 973 G CA 0.771 45.857 45.100 -0.024 0.000 0.635 973 G HN 0.954 nan 8.290 nan 0.000 0.520 974 S N -0.412 115.279 115.700 -0.014 0.000 2.387 974 S HA 0.397 4.867 4.470 0.000 0.000 0.226 974 S C 2.061 176.653 174.600 -0.014 0.000 1.026 974 S CA 1.803 59.998 58.200 -0.008 0.000 0.972 974 S CB 0.124 63.332 63.200 0.013 0.000 0.814 974 S HN 2.368 nan 8.310 nan 0.000 0.477 975 G N 0.693 109.495 108.800 0.002 0.000 2.161 975 G HA2 -0.105 3.855 3.960 0.000 0.000 0.140 975 G HA3 -0.105 3.855 3.960 0.000 0.000 0.140 975 G C 0.524 175.473 174.900 0.082 0.000 1.040 975 G CA 0.088 45.209 45.100 0.036 0.000 0.735 975 G HN 0.412 nan 8.290 nan 0.000 0.496 976 K N -0.102 120.330 120.400 0.054 0.000 1.965 976 K HA -0.053 4.267 4.320 0.000 0.000 0.214 976 K C 2.445 179.074 176.600 0.049 0.000 1.046 976 K CA 1.949 58.264 56.287 0.046 0.000 0.944 976 K CB -0.438 32.096 32.500 0.056 0.000 0.726 976 K HN 0.171 nan 8.250 nan 0.000 0.441 977 T N 1.140 115.741 114.554 0.078 0.000 2.849 977 T HA -0.147 4.203 4.350 0.000 0.000 0.270 977 T C 1.423 176.168 174.700 0.076 0.000 1.066 977 T CA 1.044 63.212 62.100 0.113 0.000 1.130 977 T CB -0.290 68.620 68.868 0.069 0.000 0.864 977 T HN 0.206 nan 8.240 nan 0.000 0.481 978 F N 1.630 121.538 119.950 -0.070 0.000 2.234 978 F HA -0.096 4.431 4.527 0.000 0.000 0.299 978 F C 2.272 177.991 175.800 -0.136 0.000 1.087 978 F CA 1.003 58.945 58.000 -0.096 0.000 1.340 978 F CB -0.262 38.679 39.000 -0.098 0.000 1.031 978 F HN 0.055 nan 8.300 nan 0.000 0.500 979 T N 0.961 115.470 114.554 -0.075 0.000 2.814 979 T HA -0.033 4.317 4.350 0.000 0.000 0.254 979 T C 2.021 176.488 174.700 -0.387 0.000 1.037 979 T CA 1.200 63.124 62.100 -0.294 0.000 1.143 979 T CB -0.127 68.512 68.868 -0.381 0.000 0.866 979 T HN 0.068 nan 8.240 nan 0.000 0.431 980 I N -0.222 120.176 120.570 -0.287 0.000 2.439 980 I HA -0.014 4.156 4.170 0.000 0.000 0.251 980 I C 1.560 177.292 176.117 -0.642 0.000 1.139 980 I CA 1.632 62.702 61.300 -0.383 0.000 1.438 980 I CB -0.828 37.032 38.000 -0.234 0.000 1.085 980 I HN 0.318 nan 8.210 nan 0.000 0.427 981 Y N -0.007 120.144 120.300 -0.249 0.000 2.701 981 Y HA 0.437 4.987 4.550 0.000 0.000 0.275 981 Y C 1.632 177.341 175.900 -0.317 0.000 1.133 981 Y CA 0.537 58.484 58.100 -0.255 0.000 1.241 981 Y CB -0.197 38.161 38.460 -0.171 0.000 1.389 981 Y HN 0.187 nan 8.280 nan 0.000 0.486 982 G N 1.001 109.651 108.800 -0.251 0.000 2.796 982 G HA2 0.065 4.025 3.960 0.000 0.000 0.226 982 G HA3 0.065 4.025 3.960 0.000 0.000 0.226 982 G C -0.381 174.377 174.900 -0.236 0.000 1.381 982 G CA -0.545 44.251 45.100 -0.508 0.000 0.867 982 G HN 0.685 nan 8.290 nan 0.000 0.552 983 A N -1.236 121.458 122.820 -0.209 0.000 2.282 983 A HA 0.762 5.082 4.320 0.000 0.000 0.324 983 A C 1.150 178.710 177.584 -0.041 0.000 1.119 983 A CA 0.833 52.855 52.037 -0.026 0.000 0.880 983 A CB 0.580 19.631 19.000 0.085 0.000 1.294 983 A HN 0.908 nan 8.150 nan 0.000 0.493 984 D N 0.407 120.807 120.400 -0.000 0.000 2.154 984 D HA -0.220 4.420 4.640 0.000 0.000 0.190 984 D C 2.020 178.295 176.300 -0.041 0.000 1.003 984 D CA 2.641 56.625 54.000 -0.027 0.000 0.849 984 D CB -0.124 40.664 40.800 -0.020 0.000 0.942 984 D HN 0.557 nan 8.370 nan 0.000 0.446 985 S N -1.437 114.249 115.700 -0.023 0.000 2.501 985 S HA 0.010 4.480 4.470 0.000 0.000 0.220 985 S C 0.811 175.385 174.600 -0.043 0.000 0.997 985 S CA -0.022 58.162 58.200 -0.027 0.000 0.919 985 S CB 0.155 63.353 63.200 -0.003 0.000 0.778 985 S HN 0.038 nan 8.310 nan 0.000 0.523 986 N N 2.293 120.954 118.700 -0.064 0.000 2.791 986 N HA 0.489 5.229 4.740 0.000 0.000 0.265 986 N C -3.293 172.065 175.510 -0.253 0.000 1.580 986 N CA -1.914 51.066 53.050 -0.118 0.000 0.809 986 N CB 1.220 39.687 38.487 -0.033 0.000 1.178 986 N HN 0.132 nan 8.380 nan 0.000 0.499 987 P HA 0.124 nan 4.420 nan 0.000 0.266 987 P C 0.561 177.640 177.300 -0.368 0.000 1.195 987 P CA 0.090 63.028 63.100 -0.270 0.000 0.768 987 P CB 0.863 32.427 31.700 -0.226 0.000 0.838 988 G N 1.602 110.166 108.800 -0.393 0.000 2.582 988 G HA2 0.166 4.126 3.960 0.000 0.000 0.232 988 G HA3 0.166 4.126 3.960 0.000 0.000 0.232 988 G C 0.835 175.488 174.900 -0.411 0.000 1.458 988 G CA -0.529 44.311 45.100 -0.434 0.000 1.062 988 G HN 0.393 nan 8.290 nan 0.000 0.566 989 L N -0.554 120.449 121.223 -0.366 0.000 2.109 989 L HA -0.007 4.333 4.340 0.000 0.000 0.207 989 L C 3.161 179.780 176.870 -0.418 0.000 1.086 989 L CA 1.562 56.283 54.840 -0.198 0.000 0.760 989 L CB -0.749 41.276 42.059 -0.057 0.000 0.910 989 L HN 0.465 nan 8.230 nan 0.000 0.437 990 T N 0.149 114.226 114.554 -0.796 0.000 2.737 990 T HA -0.058 4.292 4.350 0.000 0.000 0.265 990 T C -0.522 173.875 174.700 -0.506 0.000 1.038 990 T CA 1.282 62.766 62.100 -1.027 0.000 1.144 990 T CB -1.173 66.999 68.868 -1.160 0.000 0.866 990 T HN 0.286 nan 8.240 nan 0.000 0.434 991 P HA -0.032 nan 4.420 nan 0.000 0.217 991 P C 1.422 178.571 177.300 -0.250 0.000 1.151 991 P CA 1.166 64.130 63.100 -0.228 0.000 0.828 991 P CB -0.018 31.565 31.700 -0.195 0.000 0.788 992 R N -0.041 120.187 120.500 -0.453 0.000 2.075 992 R HA -0.001 4.339 4.340 0.000 0.000 0.232 992 R C 2.586 178.602 176.300 -0.474 0.000 1.126 992 R CA 1.438 57.102 56.100 -0.727 0.000 0.963 992 R CB -0.970 28.377 30.300 -1.588 0.000 0.858 992 R HN 0.126 nan 8.270 nan 0.000 0.435 993 A N 1.055 123.807 122.820 -0.113 0.000 1.877 993 A HA -0.167 4.153 4.320 0.000 0.000 0.216 993 A C 2.054 179.729 177.584 0.151 0.000 1.186 993 A CA 1.338 53.581 52.037 0.344 0.000 0.620 993 A CB -0.317 18.914 19.000 0.386 0.000 0.822 993 A HN 0.110 nan 8.150 nan 0.000 0.443 994 M N -0.146 119.484 119.600 0.051 0.000 2.346 994 M HA -0.073 4.407 4.480 0.000 0.000 0.263 994 M C 2.271 178.611 176.300 0.065 0.000 1.064 994 M CA 1.503 56.876 55.300 0.122 0.000 1.083 994 M CB -1.710 30.983 32.600 0.156 0.000 1.399 994 M HN 0.471 nan 8.290 nan 0.000 0.435 995 S N 0.038 115.696 115.700 -0.070 0.000 2.357 995 S HA -0.099 4.371 4.470 0.000 0.000 0.221 995 S C 1.794 176.330 174.600 -0.107 0.000 1.031 995 S CA 0.919 58.966 58.200 -0.255 0.000 0.982 995 S CB 0.126 63.210 63.200 -0.193 0.000 0.853 995 S HN 0.369 nan 8.310 nan 0.000 0.458 996 E N 1.293 121.504 120.200 0.019 0.000 2.051 996 E HA -0.110 4.240 4.350 0.000 0.000 0.192 996 E C 2.071 178.669 176.600 -0.003 0.000 0.991 996 E CA 0.648 57.081 56.400 0.054 0.000 0.799 996 E CB -0.819 28.978 29.700 0.162 0.000 0.748 996 E HN 0.397 nan 8.360 nan 0.000 0.449 997 L N 0.317 121.543 121.223 0.005 0.000 2.089 997 L HA -0.183 4.157 4.340 0.000 0.000 0.213 997 L C 2.079 178.789 176.870 -0.267 0.000 1.079 997 L CA 1.664 56.441 54.840 -0.105 0.000 0.758 997 L CB -0.868 41.149 42.059 -0.069 0.000 0.891 997 L HN 0.011 nan 8.230 nan 0.000 0.433 998 F N -0.364 119.440 119.950 -0.242 0.000 2.293 998 F HA -0.098 4.429 4.527 0.000 0.000 0.297 998 F C 2.394 178.048 175.800 -0.243 0.000 1.089 998 F CA 1.054 58.883 58.000 -0.285 0.000 1.377 998 F CB -0.315 38.451 39.000 -0.390 0.000 1.051 998 F HN 0.213 nan 8.300 nan 0.000 0.511 999 R N 1.005 121.480 120.500 -0.041 0.000 2.073 999 R HA -0.091 4.249 4.340 0.000 0.000 0.229 999 R C 1.740 177.991 176.300 -0.082 0.000 1.120 999 R CA 1.758 57.830 56.100 -0.047 0.000 0.967 999 R CB -1.660 28.624 30.300 -0.028 0.000 0.862 999 R HN 0.279 nan 8.270 nan 0.000 0.436 1000 I N 0.638 121.141 120.570 -0.113 0.000 2.208 1000 I HA -0.256 3.914 4.170 0.000 0.000 0.245 1000 I C 2.492 178.472 176.117 -0.229 0.000 1.097 1000 I CA 1.741 62.966 61.300 -0.125 0.000 1.363 1000 I CB -0.335 37.597 38.000 -0.113 0.000 1.051 1000 I HN 0.172 nan 8.210 nan 0.000 0.413 1001 M N 0.307 119.622 119.600 -0.475 0.000 2.080 1001 M HA -0.259 4.221 4.480 0.000 0.000 0.260 1001 M C 2.476 178.557 176.300 -0.364 0.000 1.068 1001 M CA 1.841 56.616 55.300 -0.875 0.000 1.109 1001 M CB -0.566 31.343 32.600 -1.151 0.000 1.342 1001 M HN 0.175 nan 8.290 nan 0.000 0.405 1002 K N 1.271 121.554 120.400 -0.193 0.000 2.026 1002 K HA -0.230 4.090 4.320 0.000 0.000 0.208 1002 K C 2.042 178.643 176.600 0.001 0.000 1.048 1002 K CA 1.842 58.099 56.287 -0.051 0.000 0.929 1002 K CB -0.186 32.306 32.500 -0.014 0.000 0.713 1002 K HN 0.291 nan 8.250 nan 0.000 0.439 1003 K N 0.053 120.452 120.400 -0.002 0.000 2.097 1003 K HA -0.142 4.178 4.320 0.000 0.000 0.206 1003 K C 0.700 177.346 176.600 0.076 0.000 1.049 1003 K CA 1.965 58.272 56.287 0.033 0.000 0.933 1003 K CB 0.013 32.529 32.500 0.026 0.000 0.717 1003 K HN 0.122 nan 8.250 nan 0.000 0.442 1004 D N 0.592 121.056 120.400 0.107 0.000 2.328 1004 D HA 0.036 4.676 4.640 0.000 0.000 0.221 1004 D C 1.153 177.641 176.300 0.313 0.000 1.072 1004 D CA 0.158 54.292 54.000 0.224 0.000 0.850 1004 D CB 0.547 41.519 40.800 0.286 0.000 0.922 1004 D HN 0.143 nan 8.370 nan 0.000 0.516 1005 S N 0.563 116.397 115.700 0.223 0.000 2.462 1005 S HA -0.146 4.324 4.470 0.000 0.000 0.243 1005 S C 1.559 176.271 174.600 0.186 0.000 1.003 1005 S CA 0.692 59.037 58.200 0.242 0.000 0.970 1005 S CB -0.285 62.995 63.200 0.133 0.000 0.762 1005 S HN 0.363 nan 8.310 nan 0.000 0.510 1006 N N -0.523 118.262 118.700 0.143 0.000 2.461 1006 N HA 0.011 4.751 4.740 0.000 0.000 0.188 1006 N C 1.331 176.872 175.510 0.052 0.000 1.134 1006 N CA 0.359 53.460 53.050 0.084 0.000 0.878 1006 N CB 0.140 38.665 38.487 0.064 0.000 0.972 1006 N HN 0.187 nan 8.380 nan 0.000 0.456 1007 K N -0.690 119.762 120.400 0.086 0.000 2.424 1007 K HA 0.161 4.481 4.320 0.000 0.000 0.200 1007 K C -0.267 176.161 176.600 -0.286 0.000 1.279 1007 K CA 0.452 56.679 56.287 -0.100 0.000 0.918 1007 K CB 0.304 32.752 32.500 -0.087 0.000 1.287 1007 K HN -0.083 nan 8.250 nan 0.000 0.502 1008 F N 2.072 122.024 119.950 0.004 0.000 2.507 1008 F HA 0.379 4.906 4.527 0.000 0.000 0.327 1008 F C 0.517 176.247 175.800 -0.117 0.000 1.068 1008 F CA -1.071 56.819 58.000 -0.183 0.000 0.965 1008 F CB 1.691 40.385 39.000 -0.511 0.000 1.192 1008 F HN -0.166 nan 8.300 nan 0.000 0.476 1009 S N 1.051 116.731 115.700 -0.033 0.000 2.549 1009 S HA 0.808 5.278 4.470 0.000 0.000 0.297 1009 S C -0.996 173.561 174.600 -0.071 0.000 1.115 1009 S CA -0.644 57.604 58.200 0.080 0.000 1.059 1009 S CB 1.211 64.434 63.200 0.039 0.000 1.046 1009 S HN 0.418 nan 8.310 nan 0.000 0.506 1010 F N 0.459 120.434 119.950 0.041 0.000 2.671 1010 F HA 0.820 5.347 4.527 0.000 0.000 0.373 1010 F C 0.703 176.503 175.800 -0.001 0.000 1.122 1010 F CA -0.765 57.238 58.000 0.005 0.000 1.082 1010 F CB 1.986 40.952 39.000 -0.056 0.000 1.399 1010 F HN 0.714 nan 8.300 nan 0.000 0.509 1011 S N 1.165 116.999 115.700 0.224 0.000 2.582 1011 S HA 0.631 5.101 4.470 0.000 0.000 0.287 1011 S C -2.062 172.599 174.600 0.102 0.000 1.146 1011 S CA -0.519 57.754 58.200 0.123 0.000 0.941 1011 S CB 0.604 63.853 63.200 0.082 0.000 1.115 1011 S HN 0.436 nan 8.310 nan 0.000 0.458 1012 L N 4.069 125.339 121.223 0.078 0.000 2.301 1012 L HA 0.838 5.178 4.340 0.000 0.000 0.264 1012 L C -0.508 176.415 176.870 0.087 0.000 1.016 1012 L CA -0.358 54.522 54.840 0.067 0.000 0.821 1012 L CB 1.870 43.952 42.059 0.038 0.000 1.346 1012 L HN 0.830 nan 8.230 nan 0.000 0.429 1013 K N 0.430 120.887 120.400 0.094 0.000 2.610 1013 K HA 0.922 5.242 4.320 0.000 0.000 0.278 1013 K C -1.775 174.894 176.600 0.115 0.000 0.964 1013 K CA -0.911 55.442 56.287 0.110 0.000 0.859 1013 K CB 1.959 34.526 32.500 0.112 0.000 1.434 1013 K HN 0.630 nan 8.250 nan 0.000 0.410 1014 A N 0.923 123.820 122.820 0.128 0.000 2.609 1014 A HA 0.801 5.121 4.320 0.000 0.000 0.291 1014 A C -2.168 175.518 177.584 0.170 0.000 1.096 1014 A CA -0.931 51.158 52.037 0.086 0.000 0.684 1014 A CB 1.328 20.355 19.000 0.045 0.000 1.282 1014 A HN 0.892 nan 8.150 nan 0.000 0.412 1015 Y N -1.341 119.005 120.300 0.075 0.000 2.441 1015 Y HA 0.751 5.301 4.550 0.000 0.000 0.334 1015 Y C -0.880 175.067 175.900 0.079 0.000 1.061 1015 Y CA -1.159 56.981 58.100 0.067 0.000 1.032 1015 Y CB 1.503 39.996 38.460 0.055 0.000 1.266 1015 Y HN 0.839 nan 8.280 nan 0.000 0.441 1016 M N 5.464 125.173 119.600 0.182 0.000 2.364 1016 M HA 0.831 5.311 4.480 0.000 0.000 0.334 1016 M C -2.200 174.210 176.300 0.183 0.000 1.107 1016 M CA -0.845 54.531 55.300 0.128 0.000 0.988 1016 M CB 1.768 34.426 32.600 0.096 0.000 1.673 1016 M HN 0.785 nan 8.290 nan 0.000 0.441 1017 V N 3.857 123.878 119.914 0.177 0.000 2.925 1017 V HA 0.556 4.676 4.120 0.000 0.000 0.311 1017 V C -1.622 174.556 176.094 0.139 0.000 1.104 1017 V CA -0.432 61.969 62.300 0.167 0.000 0.954 1017 V CB 2.507 34.455 31.823 0.209 0.000 1.022 1017 V HN 0.965 nan 8.190 nan 0.000 0.427 1018 E N 4.031 124.306 120.200 0.124 0.000 2.191 1018 E HA 0.483 4.833 4.350 0.000 0.000 0.263 1018 E C -1.776 174.909 176.600 0.142 0.000 0.881 1018 E CA -0.774 55.701 56.400 0.124 0.000 0.757 1018 E CB 1.862 31.622 29.700 0.098 0.000 1.147 1018 E HN 0.572 nan 8.360 nan 0.000 0.414 1019 L N 6.217 127.535 121.223 0.159 0.000 2.264 1019 L HA 0.259 4.599 4.340 0.000 0.000 0.287 1019 L C -0.615 176.343 176.870 0.147 0.000 1.039 1019 L CA -0.118 54.824 54.840 0.171 0.000 0.829 1019 L CB 0.541 42.714 42.059 0.189 0.000 1.211 1019 L HN 0.719 nan 8.230 nan 0.000 0.427 1020 Y N 3.651 123.985 120.300 0.057 0.000 2.186 1020 Y HA 0.232 4.782 4.550 0.000 0.000 0.286 1020 Y C 0.611 176.535 175.900 0.041 0.000 1.109 1020 Y CA 0.903 59.013 58.100 0.017 0.000 1.099 1020 Y CB 0.365 38.834 38.460 0.015 0.000 1.030 1020 Y HN 0.682 nan 8.280 nan 0.000 0.495 1021 Q N 0.744 120.588 119.800 0.074 0.000 2.759 1021 Q HA 0.158 4.498 4.340 0.000 0.000 0.225 1021 Q C -1.335 174.759 176.000 0.156 0.000 0.823 1021 Q CA -0.198 55.627 55.803 0.037 0.000 0.828 1021 Q CB 0.794 29.538 28.738 0.010 0.000 1.425 1021 Q HN 0.496 nan 8.270 nan 0.000 0.449 1022 D N 1.495 122.013 120.400 0.195 0.000 2.931 1022 D HA -0.159 4.481 4.640 0.000 0.000 0.228 1022 D C -0.809 175.562 176.300 0.118 0.000 1.180 1022 D CA 1.745 55.820 54.000 0.125 0.000 0.784 1022 D CB -0.502 40.294 40.800 -0.007 0.000 1.093 1022 D HN 0.441 nan 8.370 nan 0.000 0.421 1023 T N 1.075 115.723 114.554 0.157 0.000 3.064 1023 T HA 0.383 4.733 4.350 0.000 0.000 0.367 1023 T C 0.498 175.282 174.700 0.140 0.000 1.202 1023 T CA -0.518 61.664 62.100 0.138 0.000 1.133 1023 T CB 1.265 70.227 68.868 0.157 0.000 1.074 1023 T HN 0.050 nan 8.240 nan 0.000 0.519 1024 L N 4.334 125.623 121.223 0.111 0.000 2.367 1024 L HA 0.609 4.949 4.340 0.000 0.000 0.275 1024 L C 0.210 177.131 176.870 0.085 0.000 1.129 1024 L CA -0.396 54.507 54.840 0.105 0.000 0.839 1024 L CB 0.855 42.967 42.059 0.089 0.000 1.133 1024 L HN 0.403 nan 8.230 nan 0.000 0.453 1025 V N 0.238 120.205 119.914 0.088 0.000 2.823 1025 V HA 0.525 4.645 4.120 0.000 0.000 0.312 1025 V C -0.839 175.298 176.094 0.072 0.000 1.072 1025 V CA -0.955 61.386 62.300 0.068 0.000 0.937 1025 V CB 2.171 34.029 31.823 0.059 0.000 1.013 1025 V HN 0.630 nan 8.190 nan 0.000 0.430 1026 D N 2.755 123.191 120.400 0.059 0.000 2.317 1026 D HA 0.439 5.079 4.640 0.000 0.000 0.234 1026 D C 0.724 177.059 176.300 0.059 0.000 1.112 1026 D CA -0.324 53.717 54.000 0.067 0.000 0.840 1026 D CB 1.607 42.439 40.800 0.053 0.000 1.078 1026 D HN 0.653 nan 8.370 nan 0.000 0.486 1027 L N 3.333 124.598 121.223 0.069 0.000 2.592 1027 L HA 0.156 4.496 4.340 0.000 0.000 0.227 1027 L C 1.606 178.505 176.870 0.048 0.000 1.127 1027 L CA 0.089 54.958 54.840 0.049 0.000 0.884 1027 L CB 0.180 42.267 42.059 0.046 0.000 1.065 1027 L HN 0.365 nan 8.230 nan 0.000 0.457 1028 L N 0.873 122.136 121.223 0.065 0.000 2.728 1028 L HA 0.171 4.511 4.340 0.000 0.000 0.235 1028 L C -0.190 176.709 176.870 0.048 0.000 1.197 1028 L CA -0.206 54.671 54.840 0.063 0.000 0.992 1028 L CB 0.283 42.399 42.059 0.094 0.000 1.263 1028 L HN 0.167 nan 8.230 nan 0.000 0.484 1029 L N 0.417 121.661 121.223 0.036 0.000 2.379 1029 L HA 0.332 4.672 4.340 0.000 0.000 0.269 1029 L C -0.806 176.075 176.870 0.018 0.000 1.084 1029 L CA -1.154 53.702 54.840 0.026 0.000 0.802 1029 L CB 0.387 42.459 42.059 0.022 0.000 1.175 1029 L HN -0.133 nan 8.230 nan 0.000 0.448 1030 P HA 0.049 nan 4.420 nan 0.000 0.211 1030 P C 0.253 177.555 177.300 0.004 0.000 1.183 1030 P CA 0.666 63.771 63.100 0.009 0.000 0.901 1030 P CB 0.713 32.419 31.700 0.009 0.000 0.762 1031 K N -0.220 120.183 120.400 0.004 0.000 2.380 1031 K HA 0.220 4.540 4.320 0.000 0.000 0.243 1031 K C -0.019 176.582 176.600 0.002 0.000 1.071 1031 K CA -1.089 55.199 56.287 0.001 0.000 0.942 1031 K CB 0.588 33.089 32.500 0.001 0.000 1.324 1031 K HN -0.059 nan 8.250 nan 0.000 0.517 1032 Q N 0.387 120.188 119.800 0.000 0.000 2.618 1032 Q HA -0.123 4.217 4.340 0.000 0.000 0.344 1032 Q C -0.047 175.955 176.000 0.003 0.000 1.073 1032 Q CA 0.444 56.247 55.803 0.001 0.000 1.105 1032 Q CB 0.341 29.079 28.738 -0.001 0.000 1.028 1032 Q HN 0.575 nan 8.270 nan 0.000 0.397 1033 A N 5.041 127.864 122.820 0.005 0.000 2.345 1033 A HA 0.042 4.362 4.320 0.000 0.000 0.225 1033 A C 0.205 177.794 177.584 0.008 0.000 1.243 1033 A CA 0.343 52.385 52.037 0.008 0.000 0.875 1033 A CB -0.153 18.854 19.000 0.011 0.000 0.929 1033 A HN 0.962 nan 8.150 nan 0.000 0.502 1034 K N 0.869 121.273 120.400 0.006 0.000 3.035 1034 K HA -0.242 4.078 4.320 0.000 0.000 0.262 1034 K C -0.175 176.430 176.600 0.008 0.000 1.024 1034 K CA 1.034 57.325 56.287 0.006 0.000 0.748 1034 K CB -2.297 30.207 32.500 0.006 0.000 1.247 1034 K HN 0.788 nan 8.250 nan 0.000 0.482 1035 R N 0.933 121.438 120.500 0.009 0.000 2.486 1035 R HA 0.022 4.362 4.340 0.000 0.000 0.304 1035 R C -0.029 176.277 176.300 0.010 0.000 0.913 1035 R CA 0.271 56.379 56.100 0.012 0.000 1.124 1035 R CB 0.131 30.440 30.300 0.014 0.000 0.891 1035 R HN 0.357 nan 8.270 nan 0.000 0.410 1036 L N 2.617 123.845 121.223 0.009 0.000 2.751 1036 L HA 0.313 4.653 4.340 0.000 0.000 0.241 1036 L C 0.635 177.510 176.870 0.009 0.000 1.146 1036 L CA -1.082 53.762 54.840 0.007 0.000 0.879 1036 L CB 0.646 42.707 42.059 0.004 0.000 1.687 1036 L HN 0.641 nan 8.230 nan 0.000 0.527 1037 K N 1.254 121.659 120.400 0.008 0.000 2.273 1037 K HA 0.344 4.664 4.320 0.000 0.000 0.287 1037 K C -1.276 175.329 176.600 0.008 0.000 1.089 1037 K CA -0.593 55.700 56.287 0.011 0.000 0.909 1037 K CB 0.525 33.031 32.500 0.010 0.000 1.123 1037 K HN 0.142 nan 8.250 nan 0.000 0.473 1038 L N 3.158 124.388 121.223 0.012 0.000 2.410 1038 L HA 0.109 4.449 4.340 0.000 0.000 0.273 1038 L C 0.165 177.040 176.870 0.009 0.000 1.144 1038 L CA 0.793 55.637 54.840 0.007 0.000 0.863 1038 L CB 0.363 42.432 42.059 0.016 0.000 1.140 1038 L HN 0.675 nan 8.230 nan 0.000 0.463 1039 D N 3.367 123.765 120.400 -0.003 0.000 2.391 1039 D HA 0.313 4.953 4.640 0.000 0.000 0.245 1039 D C -0.601 175.695 176.300 -0.007 0.000 1.069 1039 D CA -0.476 53.525 54.000 0.000 0.000 0.831 1039 D CB 1.749 42.547 40.800 -0.003 0.000 1.204 1039 D HN 0.118 nan 8.370 nan 0.000 0.503 1040 I N 3.415 123.988 120.570 0.005 0.000 2.363 1040 I HA 0.227 4.397 4.170 0.000 0.000 0.292 1040 I C 0.744 176.857 176.117 -0.007 0.000 1.075 1040 I CA 0.009 61.309 61.300 0.000 0.000 1.333 1040 I CB -0.128 37.880 38.000 0.014 0.000 1.415 1040 I HN 0.118 nan 8.210 nan 0.000 0.502 1041 K N 5.487 125.876 120.400 -0.018 0.000 2.439 1041 K HA 0.697 5.017 4.320 0.000 0.000 0.260 1041 K C -0.839 175.747 176.600 -0.024 0.000 1.032 1041 K CA -1.114 55.162 56.287 -0.018 0.000 0.882 1041 K CB 2.645 35.135 32.500 -0.016 0.000 1.420 1041 K HN 0.442 nan 8.250 nan 0.000 0.455 1042 K N 0.017 120.404 120.400 -0.023 0.000 2.468 1042 K HA 0.262 4.582 4.320 0.000 0.000 0.252 1042 K C -0.965 175.627 176.600 -0.014 0.000 0.932 1042 K CA -0.916 55.356 56.287 -0.024 0.000 0.794 1042 K CB 1.285 33.760 32.500 -0.042 0.000 1.241 1042 K HN 0.516 nan 8.250 nan 0.000 0.428 1043 D N 1.468 121.863 120.400 -0.009 0.000 2.398 1043 D HA -0.003 4.637 4.640 0.000 0.000 0.264 1043 D C 0.906 177.204 176.300 -0.003 0.000 1.263 1043 D CA 0.032 54.030 54.000 -0.003 0.000 1.037 1043 D CB 0.188 40.989 40.800 0.002 0.000 1.101 1043 D HN 0.575 nan 8.370 nan 0.000 0.551 1044 S N -0.257 115.443 115.700 -0.000 0.000 2.365 1044 S HA -0.242 4.228 4.470 0.000 0.000 0.225 1044 S C 1.490 176.089 174.600 -0.002 0.000 1.039 1044 S CA 0.924 59.124 58.200 0.000 0.000 1.033 1044 S CB -0.474 62.727 63.200 0.001 0.000 0.887 1044 S HN 0.456 nan 8.310 nan 0.000 0.447 1045 K N 1.246 121.645 120.400 -0.003 0.000 2.296 1045 K HA 0.176 4.496 4.320 0.000 0.000 0.200 1045 K C 1.320 177.918 176.600 -0.003 0.000 1.048 1045 K CA 0.764 57.048 56.287 -0.004 0.000 0.966 1045 K CB -0.689 31.806 32.500 -0.007 0.000 0.754 1045 K HN 0.736 nan 8.250 nan 0.000 0.466 1046 G N 2.166 110.962 108.800 -0.006 0.000 2.526 1046 G HA2 -0.200 3.760 3.960 0.000 0.000 0.225 1046 G HA3 -0.200 3.760 3.960 0.000 0.000 0.225 1046 G C -0.428 174.461 174.900 -0.018 0.000 1.120 1046 G CA -0.041 45.050 45.100 -0.015 0.000 0.904 1046 G HN 0.226 nan 8.290 nan 0.000 0.498 1047 M N 1.658 121.251 119.600 -0.011 0.000 2.134 1047 M HA 0.577 5.057 4.480 0.000 0.000 0.310 1047 M C 0.763 177.061 176.300 -0.003 0.000 0.966 1047 M CA -0.959 54.340 55.300 -0.001 0.000 0.922 1047 M CB 1.749 34.360 32.600 0.018 0.000 1.537 1047 M HN 0.635 nan 8.290 nan 0.000 0.424 1048 V N 3.027 122.933 119.914 -0.013 0.000 2.963 1048 V HA 0.784 4.904 4.120 0.000 0.000 0.306 1048 V C -0.166 175.946 176.094 0.030 0.000 1.077 1048 V CA 0.013 62.306 62.300 -0.011 0.000 1.124 1048 V CB 0.913 32.716 31.823 -0.033 0.000 0.987 1048 V HN 0.992 nan 8.190 nan 0.000 0.487 1049 S N 1.629 117.331 115.700 0.004 0.000 2.565 1049 S HA 0.512 4.982 4.470 0.000 0.000 0.274 1049 S C -1.125 173.424 174.600 -0.085 0.000 1.144 1049 S CA -0.687 57.493 58.200 -0.033 0.000 0.849 1049 S CB 1.141 64.312 63.200 -0.048 0.000 1.103 1049 S HN 1.171 nan 8.310 nan 0.000 0.455 1050 V N 2.753 122.560 119.914 -0.177 0.000 2.461 1050 V HA 0.261 4.381 4.120 0.000 0.000 0.275 1050 V C 1.760 177.777 176.094 -0.128 0.000 1.047 1050 V CA 0.139 62.359 62.300 -0.133 0.000 0.955 1050 V CB 1.004 32.743 31.823 -0.141 0.000 0.988 1050 V HN 1.121 nan 8.190 nan 0.000 0.471 1051 E N 4.796 124.953 120.200 -0.071 0.000 2.035 1051 E HA -0.227 4.123 4.350 0.000 0.000 0.204 1051 E C 0.697 177.262 176.600 -0.058 0.000 1.025 1051 E CA 1.442 57.810 56.400 -0.053 0.000 0.835 1051 E CB 0.089 29.772 29.700 -0.028 0.000 0.764 1051 E HN 0.673 nan 8.360 nan 0.000 0.457 1052 N N 0.190 118.860 118.700 -0.049 0.000 2.558 1052 N HA 0.237 4.977 4.740 0.000 0.000 0.242 1052 N C -1.756 173.723 175.510 -0.052 0.000 0.979 1052 N CA -0.163 52.863 53.050 -0.041 0.000 0.931 1052 N CB 1.513 39.988 38.487 -0.020 0.000 1.122 1052 N HN 0.088 nan 8.380 nan 0.000 0.508 1053 V N 2.055 121.924 119.914 -0.076 0.000 2.891 1053 V HA 0.427 4.547 4.120 0.000 0.000 0.304 1053 V C -0.465 175.598 176.094 -0.052 0.000 1.171 1053 V CA -0.568 61.686 62.300 -0.077 0.000 0.943 1053 V CB 1.892 33.612 31.823 -0.171 0.000 1.037 1053 V HN 0.493 nan 8.190 nan 0.000 0.427 1054 T N 5.987 120.542 114.554 0.002 0.000 2.793 1054 T HA 0.320 4.670 4.350 0.000 0.000 0.289 1054 T C -0.089 174.652 174.700 0.069 0.000 0.956 1054 T CA 0.343 62.462 62.100 0.032 0.000 1.177 1054 T CB 0.376 69.272 68.868 0.046 0.000 0.897 1054 T HN 0.637 nan 8.240 nan 0.000 0.533 1055 V N 5.137 125.088 119.914 0.061 0.000 2.472 1055 V HA 0.366 4.486 4.120 0.000 0.000 0.290 1055 V C 0.065 176.219 176.094 0.100 0.000 1.037 1055 V CA -0.678 61.690 62.300 0.113 0.000 0.908 1055 V CB 1.938 33.812 31.823 0.084 0.000 0.985 1055 V HN 0.655 nan 8.190 nan 0.000 0.454 1056 V N 3.846 123.832 119.914 0.119 0.000 2.334 1056 V HA 0.302 4.422 4.120 0.000 0.000 0.281 1056 V C 0.315 176.465 176.094 0.094 0.000 1.016 1056 V CA -0.469 61.887 62.300 0.093 0.000 0.832 1056 V CB 1.515 33.391 31.823 0.088 0.000 0.999 1056 V HN 0.882 nan 8.190 nan 0.000 0.439 1057 S N 6.572 122.319 115.700 0.080 0.000 2.437 1057 S HA 0.318 4.788 4.470 0.000 0.000 0.304 1057 S C 0.352 175.003 174.600 0.086 0.000 1.167 1057 S CA -0.413 57.835 58.200 0.080 0.000 1.106 1057 S CB -0.266 62.974 63.200 0.066 0.000 1.099 1057 S HN 0.447 nan 8.310 nan 0.000 0.524 1058 I N 2.790 123.422 120.570 0.103 0.000 2.892 1058 I HA 0.041 4.211 4.170 0.000 0.000 0.287 1058 I C 1.175 177.368 176.117 0.127 0.000 1.205 1058 I CA 0.527 61.902 61.300 0.124 0.000 1.409 1058 I CB 0.524 38.627 38.000 0.170 0.000 1.367 1058 I HN 0.565 nan 8.210 nan 0.000 0.597 1059 S N 1.446 117.225 115.700 0.132 0.000 2.631 1059 S HA 0.088 4.558 4.470 0.000 0.000 0.246 1059 S C 0.563 175.256 174.600 0.155 0.000 1.068 1059 S CA -0.078 58.196 58.200 0.123 0.000 0.995 1059 S CB 0.901 64.150 63.200 0.081 0.000 0.944 1059 S HN 0.808 nan 8.310 nan 0.000 0.529 1060 T N 0.040 114.690 114.554 0.161 0.000 2.982 1060 T HA 0.365 4.715 4.350 0.000 0.000 0.321 1060 T C -0.185 174.554 174.700 0.065 0.000 1.229 1060 T CA -0.540 61.641 62.100 0.134 0.000 1.044 1060 T CB 0.937 69.831 68.868 0.043 0.000 1.184 1060 T HN 0.087 nan 8.240 nan 0.000 0.477 1061 Y N 3.344 123.410 120.300 -0.390 0.000 2.283 1061 Y HA -0.130 4.420 4.550 0.000 0.000 0.285 1061 Y C 1.856 177.534 175.900 -0.370 0.000 1.176 1061 Y CA 2.156 59.728 58.100 -0.880 0.000 1.229 1061 Y CB -0.039 37.583 38.460 -1.397 0.000 0.975 1061 Y HN 0.740 nan 8.280 nan 0.000 0.537 1062 E N 0.127 120.122 120.200 -0.340 0.000 2.106 1062 E HA -0.189 4.161 4.350 0.000 0.000 0.192 1062 E C 1.959 178.428 176.600 -0.218 0.000 0.984 1062 E CA 1.408 57.599 56.400 -0.350 0.000 0.806 1062 E CB -0.065 29.509 29.700 -0.211 0.000 0.750 1062 E HN 0.709 nan 8.360 nan 0.000 0.458 1063 E N 0.888 121.027 120.200 -0.101 0.000 2.008 1063 E HA -0.101 4.249 4.350 0.000 0.000 0.191 1063 E C 2.200 178.786 176.600 -0.023 0.000 0.986 1063 E CA 0.226 56.603 56.400 -0.039 0.000 0.807 1063 E CB -0.146 29.566 29.700 0.020 0.000 0.766 1063 E HN 0.080 nan 8.360 nan 0.000 0.450 1064 L N 1.910 123.157 121.223 0.041 0.000 2.051 1064 L HA -0.266 4.074 4.340 0.000 0.000 0.214 1064 L C 2.293 179.177 176.870 0.024 0.000 1.076 1064 L CA 1.909 56.805 54.840 0.093 0.000 0.758 1064 L CB -0.498 41.708 42.059 0.245 0.000 0.890 1064 L HN 0.106 nan 8.230 nan 0.000 0.433 1065 K N -1.289 119.053 120.400 -0.096 0.000 2.097 1065 K HA -0.187 4.133 4.320 0.000 0.000 0.205 1065 K C 1.870 178.383 176.600 -0.145 0.000 1.050 1065 K CA 1.736 57.904 56.287 -0.198 0.000 0.938 1065 K CB -0.058 32.088 32.500 -0.589 0.000 0.718 1065 K HN 0.245 nan 8.250 nan 0.000 0.442 1066 T N 0.149 114.624 114.554 -0.131 0.000 3.113 1066 T HA 0.119 4.469 4.350 0.000 0.000 0.256 1066 T C 1.504 176.177 174.700 -0.046 0.000 1.131 1066 T CA 0.319 62.363 62.100 -0.093 0.000 1.074 1066 T CB -0.003 68.811 68.868 -0.091 0.000 0.944 1066 T HN 0.191 nan 8.240 nan 0.000 0.516 1067 I N -0.149 120.409 120.570 -0.020 0.000 2.429 1067 I HA 0.068 4.238 4.170 0.000 0.000 0.247 1067 I C 2.047 178.176 176.117 0.020 0.000 1.099 1067 I CA 0.779 62.084 61.300 0.009 0.000 1.422 1067 I CB -0.128 37.893 38.000 0.036 0.000 1.112 1067 I HN 0.211 nan 8.210 nan 0.000 0.430 1068 I N 0.600 121.188 120.570 0.030 0.000 2.361 1068 I HA -0.296 3.874 4.170 0.000 0.000 0.251 1068 I C 2.576 178.726 176.117 0.055 0.000 1.133 1068 I CA 1.352 62.700 61.300 0.080 0.000 1.413 1068 I CB -0.314 37.715 38.000 0.048 0.000 1.073 1068 I HN 0.330 nan 8.210 nan 0.000 0.424 1069 Q N 0.876 120.671 119.800 -0.010 0.000 2.224 1069 Q HA -0.210 4.130 4.340 0.000 0.000 0.203 1069 Q C 2.274 178.236 176.000 -0.063 0.000 0.970 1069 Q CA 1.076 56.855 55.803 -0.041 0.000 0.865 1069 Q CB 0.043 28.743 28.738 -0.063 0.000 0.922 1069 Q HN 0.359 nan 8.270 nan 0.000 0.445 1070 R N -1.018 119.451 120.500 -0.051 0.000 2.236 1070 R HA -0.034 4.306 4.340 0.000 0.000 0.208 1070 R C 1.757 178.005 176.300 -0.088 0.000 1.036 1070 R CA 1.225 57.291 56.100 -0.057 0.000 1.001 1070 R CB -0.102 30.179 30.300 -0.032 0.000 0.896 1070 R HN 0.256 nan 8.270 nan 0.000 0.464 1071 G N -1.049 107.687 108.800 -0.106 0.000 2.545 1071 G HA2 -0.149 3.811 3.960 0.000 0.000 0.212 1071 G HA3 -0.149 3.811 3.960 0.000 0.000 0.212 1071 G C 1.229 175.780 174.900 -0.581 0.000 1.144 1071 G CA 0.360 45.328 45.100 -0.220 0.000 0.813 1071 G HN 0.343 nan 8.290 nan 0.000 0.531 1072 S N 0.157 115.546 115.700 -0.520 0.000 2.436 1072 S HA -0.050 4.420 4.470 0.000 0.000 0.228 1072 S C 2.088 176.530 174.600 -0.265 0.000 1.014 1072 S CA 1.488 59.344 58.200 -0.573 0.000 0.950 1072 S CB -0.054 63.057 63.200 -0.148 0.000 0.784 1072 S HN 0.341 nan 8.310 nan 0.000 0.504 1073 E N 0.759 120.859 120.200 -0.167 0.000 2.371 1073 E HA 0.054 4.404 4.350 0.000 0.000 0.194 1073 E C 1.831 178.382 176.600 -0.081 0.000 1.012 1073 E CA 0.544 56.894 56.400 -0.084 0.000 0.860 1073 E CB -0.151 29.502 29.700 -0.079 0.000 0.811 1073 E HN 0.528 nan 8.360 nan 0.000 0.502 1074 Q N -0.445 119.273 119.800 -0.137 0.000 2.331 1074 Q HA 0.085 4.425 4.340 0.000 0.000 0.203 1074 Q C 1.131 177.072 176.000 -0.098 0.000 0.944 1074 Q CA 0.770 56.510 55.803 -0.105 0.000 0.892 1074 Q CB 0.325 28.997 28.738 -0.110 0.000 0.983 1074 Q HN -0.031 nan 8.270 nan 0.000 0.482 1075 R N -0.800 119.606 120.500 -0.157 0.000 2.362 1075 R HA 0.144 4.484 4.340 0.000 0.000 0.227 1075 R C 0.317 176.591 176.300 -0.044 0.000 0.905 1075 R CA 0.003 56.034 56.100 -0.115 0.000 1.067 1075 R CB 0.006 30.189 30.300 -0.196 0.000 1.078 1075 R HN 0.316 nan 8.270 nan 0.000 0.516 1081 L N -2.548 118.681 121.223 0.010 0.000 2.463 1081 L HA 0.668 5.008 4.340 0.000 0.000 0.219 1081 L C 1.737 178.613 176.870 0.010 0.000 1.088 1081 L CA 0.166 55.012 54.840 0.009 0.000 0.849 1081 L CB -0.271 41.792 42.059 0.007 0.000 1.012 1081 L HN 0.168 nan 8.230 nan 0.000 0.468 1082 M N -0.441 119.164 119.600 0.010 0.000 2.260 1082 M HA 0.256 4.736 4.480 0.000 0.000 0.295 1082 M C -0.207 176.099 176.300 0.011 0.000 1.042 1082 M CA 0.169 55.474 55.300 0.009 0.000 1.116 1082 M CB 0.702 33.304 32.600 0.003 0.000 1.796 1082 M HN 0.038 nan 8.290 nan 0.000 0.617 1083 N N 2.033 120.742 118.700 0.015 0.000 2.819 1083 N HA 0.030 4.770 4.740 0.000 0.000 0.284 1083 N C 0.588 176.110 175.510 0.020 0.000 1.196 1083 N CA 0.234 53.296 53.050 0.020 0.000 1.114 1083 N CB 0.103 38.610 38.487 0.033 0.000 1.437 1083 N HN 0.548 nan 8.380 nan 0.000 0.518 1084 E N 0.756 120.970 120.200 0.022 0.000 2.441 1084 E HA -0.113 4.237 4.350 0.000 0.000 0.212 1084 E C 1.494 178.124 176.600 0.050 0.000 0.840 1084 E CA -0.057 56.361 56.400 0.029 0.000 1.143 1084 E CB 0.030 29.747 29.700 0.029 0.000 1.153 1084 E HN 0.361 nan 8.360 nan 0.000 0.539 1085 Q N 1.880 121.716 119.800 0.060 0.000 1.998 1085 Q HA -0.280 4.060 4.340 0.000 0.000 0.209 1085 Q C 2.211 178.286 176.000 0.125 0.000 1.002 1085 Q CA 3.495 59.368 55.803 0.117 0.000 0.858 1085 Q CB -0.702 28.057 28.738 0.034 0.000 0.932 1085 Q HN 0.268 nan 8.270 nan 0.000 0.416 1086 S N 0.356 116.091 115.700 0.058 0.000 2.368 1086 S HA -0.264 4.206 4.470 0.000 0.000 0.226 1086 S C 2.141 176.742 174.600 0.002 0.000 1.044 1086 S CA 1.746 59.963 58.200 0.030 0.000 1.062 1086 S CB -1.228 61.976 63.200 0.007 0.000 0.931 1086 S HN 0.555 nan 8.310 nan 0.000 0.440 1087 S N 1.495 117.195 115.700 0.001 0.000 2.444 1087 S HA -0.149 4.321 4.470 0.000 0.000 0.244 1087 S C 1.710 176.275 174.600 -0.058 0.000 1.025 1087 S CA 1.604 59.792 58.200 -0.021 0.000 0.995 1087 S CB -0.447 62.748 63.200 -0.008 0.000 0.781 1087 S HN 0.660 nan 8.310 nan 0.000 0.496 1088 R N 1.007 121.472 120.500 -0.058 0.000 2.546 1088 R HA 0.164 4.504 4.340 0.000 0.000 0.320 1088 R C -0.272 175.828 176.300 -0.333 0.000 1.021 1088 R CA 0.031 56.040 56.100 -0.151 0.000 1.088 1088 R CB 0.244 30.500 30.300 -0.073 0.000 1.278 1088 R HN 0.458 nan 8.270 nan 0.000 0.557 1089 S N -1.269 114.250 115.700 -0.302 0.000 2.685 1089 S HA 0.481 4.951 4.470 0.000 0.000 0.282 1089 S C -1.147 173.167 174.600 -0.477 0.000 1.159 1089 S CA -0.985 56.955 58.200 -0.433 0.000 0.833 1089 S CB 1.589 64.754 63.200 -0.059 0.000 1.151 1089 S HN 0.179 nan 8.310 nan 0.000 0.485 1090 H N 0.165 119.237 119.070 0.003 0.000 2.495 1090 H HA 0.650 5.206 4.556 0.000 0.000 0.348 1090 H C -1.079 174.287 175.328 0.063 0.000 1.113 1090 H CA -0.612 55.450 56.048 0.024 0.000 1.195 1090 H CB 1.602 31.359 29.762 -0.009 0.000 1.521 1090 H HN 0.585 nan 8.280 nan 0.000 0.509 1091 L N 3.869 125.210 121.223 0.196 0.000 2.381 1091 L HA 0.560 4.901 4.340 0.000 0.000 0.268 1091 L C -1.222 175.763 176.870 0.192 0.000 0.997 1091 L CA -0.870 54.071 54.840 0.168 0.000 0.818 1091 L CB 1.654 43.794 42.059 0.135 0.000 1.310 1091 L HN 0.509 nan 8.230 nan 0.000 0.416 1092 I N 4.348 125.019 120.570 0.168 0.000 2.569 1092 I HA 0.441 4.611 4.170 0.000 0.000 0.290 1092 I C -1.022 175.162 176.117 0.112 0.000 1.088 1092 I CA -0.632 60.756 61.300 0.147 0.000 1.047 1092 I CB 2.265 40.333 38.000 0.113 0.000 1.237 1092 I HN 0.231 nan 8.210 nan 0.000 0.421 1093 V N 5.064 125.042 119.914 0.106 0.000 2.588 1093 V HA 0.713 4.833 4.120 0.000 0.000 0.304 1093 V C -0.767 175.299 176.094 -0.046 0.000 1.042 1093 V CA 0.075 62.395 62.300 0.033 0.000 0.877 1093 V CB 2.113 34.010 31.823 0.123 0.000 0.996 1093 V HN 0.792 nan 8.190 nan 0.000 0.425 1094 S N 4.861 120.374 115.700 -0.312 0.000 2.521 1094 S HA 0.790 5.260 4.470 0.000 0.000 0.295 1094 S C -0.969 173.474 174.600 -0.261 0.000 1.098 1094 S CA -0.606 57.383 58.200 -0.351 0.000 0.999 1094 S CB 1.926 64.726 63.200 -0.667 0.000 1.034 1094 S HN 0.690 nan 8.310 nan 0.000 0.483 1095 V N 3.167 123.037 119.914 -0.074 0.000 2.487 1095 V HA 0.489 4.609 4.120 0.000 0.000 0.298 1095 V C -0.917 175.193 176.094 0.025 0.000 1.028 1095 V CA -0.633 61.670 62.300 0.005 0.000 0.860 1095 V CB 1.376 33.241 31.823 0.070 0.000 0.991 1095 V HN 0.797 nan 8.190 nan 0.000 0.427 1096 I N 5.745 126.349 120.570 0.056 0.000 2.306 1096 I HA 0.377 4.547 4.170 0.000 0.000 0.288 1096 I C -0.011 176.142 176.117 0.059 0.000 1.036 1096 I CA 0.158 61.498 61.300 0.066 0.000 1.221 1096 I CB 0.899 38.957 38.000 0.097 0.000 1.385 1096 I HN 0.438 nan 8.210 nan 0.000 0.472 1097 I N 5.702 126.302 120.570 0.049 0.000 2.337 1097 I HA 0.157 4.327 4.170 0.000 0.000 0.291 1097 I C 0.443 176.592 176.117 0.053 0.000 1.046 1097 I CA -0.273 61.065 61.300 0.064 0.000 1.324 1097 I CB 0.548 38.586 38.000 0.063 0.000 1.409 1097 I HN 0.507 nan 8.210 nan 0.000 0.494 1098 E N 6.196 126.433 120.200 0.061 0.000 1.993 1098 E HA 0.164 4.514 4.350 0.000 0.000 0.271 1098 E C -0.330 176.230 176.600 -0.066 0.000 1.008 1098 E CA -0.332 56.076 56.400 0.013 0.000 0.814 1098 E CB 0.685 30.402 29.700 0.029 0.000 1.098 1098 E HN 0.533 nan 8.360 nan 0.000 0.407 1099 S N 3.396 119.014 115.700 -0.137 0.000 2.499 1099 S HA 0.478 4.948 4.470 0.000 0.000 0.279 1099 S C -0.461 174.065 174.600 -0.124 0.000 1.219 1099 S CA -0.495 57.519 58.200 -0.311 0.000 1.062 1099 S CB 1.035 64.013 63.200 -0.370 0.000 0.978 1099 S HN 0.350 nan 8.310 nan 0.000 0.489 1100 T N 5.102 119.598 114.554 -0.095 0.000 2.963 1100 T HA 0.287 4.637 4.350 0.000 0.000 0.328 1100 T C -0.346 174.351 174.700 -0.005 0.000 1.048 1100 T CA -0.717 61.376 62.100 -0.012 0.000 1.033 1100 T CB 0.421 69.255 68.868 -0.056 0.000 1.010 1100 T HN 0.752 nan 8.240 nan 0.000 0.469 1101 N N 3.717 122.390 118.700 -0.045 0.000 2.440 1101 N HA 0.063 4.803 4.740 0.000 0.000 0.265 1101 N C 1.263 176.586 175.510 -0.312 0.000 1.239 1101 N CA -0.007 52.761 53.050 -0.470 0.000 0.909 1101 N CB 0.585 38.872 38.487 -0.333 0.000 1.066 1101 N HN 0.592 nan 8.380 nan 0.000 0.474 1102 L N 2.901 123.912 121.223 -0.354 0.000 2.127 1102 L HA -0.256 4.084 4.340 0.000 0.000 0.211 1102 L C 2.276 179.057 176.870 -0.148 0.000 1.089 1102 L CA 1.402 56.125 54.840 -0.195 0.000 0.757 1102 L CB -0.163 41.799 42.059 -0.162 0.000 0.899 1102 L HN 0.715 nan 8.230 nan 0.000 0.434 1103 Q N -2.056 117.641 119.800 -0.172 0.000 2.388 1103 Q HA -0.021 4.319 4.340 0.000 0.000 0.204 1103 Q C 1.885 177.825 176.000 -0.100 0.000 0.946 1103 Q CA 0.910 56.644 55.803 -0.115 0.000 0.880 1103 Q CB -0.516 28.158 28.738 -0.106 0.000 0.997 1103 Q HN 0.111 nan 8.270 nan 0.000 0.552 1104 T N 0.819 115.301 114.554 -0.120 0.000 2.803 1104 T HA -0.152 4.198 4.350 0.000 0.000 0.269 1104 T C 0.517 175.177 174.700 -0.066 0.000 1.052 1104 T CA 1.336 63.387 62.100 -0.082 0.000 1.136 1104 T CB -0.169 68.652 68.868 -0.079 0.000 0.864 1104 T HN 0.336 nan 8.240 nan 0.000 0.467 1105 Q N -1.533 118.217 119.800 -0.085 0.000 2.305 1105 Q HA -0.175 4.165 4.340 0.000 0.000 0.203 1105 Q C 0.333 176.311 176.000 -0.036 0.000 0.663 1105 Q CA 0.920 56.687 55.803 -0.060 0.000 1.389 1105 Q CB -2.085 26.628 28.738 -0.042 0.000 1.566 1105 Q HN 0.724 nan 8.270 nan 0.000 0.755 1106 A N 0.604 123.407 122.820 -0.029 0.000 2.440 1106 A HA 0.454 4.774 4.320 0.000 0.000 0.251 1106 A C 0.275 177.870 177.584 0.018 0.000 1.089 1106 A CA -0.103 51.933 52.037 -0.002 0.000 0.779 1106 A CB 0.238 19.243 19.000 0.009 0.000 1.022 1106 A HN 0.168 nan 8.150 nan 0.000 0.492 1107 I N 1.460 122.033 120.570 0.006 0.000 2.437 1107 I HA 0.549 4.719 4.170 0.000 0.000 0.298 1107 I C 0.579 176.688 176.117 -0.012 0.000 0.984 1107 I CA 0.275 61.574 61.300 -0.001 0.000 1.214 1107 I CB 1.777 39.771 38.000 -0.010 0.000 1.365 1107 I HN 0.714 nan 8.210 nan 0.000 0.469 1108 A N 6.202 129.004 122.820 -0.030 0.000 2.355 1108 A HA 0.836 5.156 4.320 0.000 0.000 0.317 1108 A C -0.206 177.348 177.584 -0.050 0.000 1.094 1108 A CA -0.679 51.325 52.037 -0.055 0.000 0.764 1108 A CB 0.891 19.840 19.000 -0.086 0.000 1.230 1108 A HN 0.687 nan 8.150 nan 0.000 0.448 1109 R N 2.506 122.981 120.500 -0.040 0.000 2.639 1109 R HA 0.423 4.763 4.340 0.000 0.000 0.273 1109 R C 0.169 176.463 176.300 -0.010 0.000 1.732 1109 R CA 0.051 56.141 56.100 -0.016 0.000 1.586 1109 R CB 0.538 30.835 30.300 -0.004 0.000 1.263 1109 R HN 0.953 nan 8.270 nan 0.000 0.615 1110 G N 1.160 109.956 108.800 -0.006 0.000 2.535 1110 G HA2 0.301 4.261 3.960 0.000 0.000 0.303 1110 G HA3 0.301 4.261 3.960 0.000 0.000 0.303 1110 G C -1.153 173.764 174.900 0.028 0.000 1.237 1110 G CA -0.436 44.672 45.100 0.013 0.000 0.986 1110 G HN 0.311 nan 8.290 nan 0.000 0.494 1111 K N -0.794 119.624 120.400 0.031 0.000 2.513 1111 K HA 0.478 4.798 4.320 0.000 0.000 0.251 1111 K C -1.977 174.611 176.600 -0.020 0.000 0.939 1111 K CA -0.789 55.508 56.287 0.016 0.000 0.793 1111 K CB 2.032 34.549 32.500 0.027 0.000 1.241 1111 K HN 0.323 nan 8.250 nan 0.000 0.431 1112 L N 3.099 124.297 121.223 -0.042 0.000 2.318 1112 L HA 0.475 4.815 4.340 0.000 0.000 0.277 1112 L C -1.283 175.478 176.870 -0.182 0.000 1.008 1112 L CA 0.177 54.941 54.840 -0.128 0.000 0.846 1112 L CB 1.468 43.500 42.059 -0.045 0.000 1.220 1112 L HN 0.544 nan 8.230 nan 0.000 0.423 1113 S N 4.647 120.157 115.700 -0.316 0.000 2.502 1113 S HA 0.753 5.223 4.470 0.000 0.000 0.304 1113 S C -1.027 173.332 174.600 -0.403 0.000 1.097 1113 S CA -0.395 57.660 58.200 -0.241 0.000 1.045 1113 S CB 0.437 63.558 63.200 -0.132 0.000 1.019 1113 S HN 0.369 nan 8.310 nan 0.000 0.481 1114 F N 3.176 123.097 119.950 -0.050 0.000 2.469 1114 F HA 0.669 5.196 4.527 0.000 0.000 0.332 1114 F C 0.041 175.848 175.800 0.011 0.000 1.103 1114 F CA -0.788 57.187 58.000 -0.041 0.000 0.979 1114 F CB 1.824 40.738 39.000 -0.143 0.000 1.137 1114 F HN 0.221 nan 8.300 nan 0.000 0.463 1115 V N 1.830 121.883 119.914 0.232 0.000 2.735 1115 V HA 0.400 4.520 4.120 0.000 0.000 0.310 1115 V C -1.181 175.062 176.094 0.250 0.000 1.061 1115 V CA -0.755 61.680 62.300 0.224 0.000 0.913 1115 V CB 2.119 34.066 31.823 0.207 0.000 1.005 1115 V HN 0.702 nan 8.190 nan 0.000 0.428 1116 D N 4.198 124.744 120.400 0.244 0.000 2.440 1116 D HA 0.411 5.051 4.640 0.000 0.000 0.252 1116 D C -0.477 175.964 176.300 0.235 0.000 1.180 1116 D CA -0.235 53.904 54.000 0.232 0.000 0.894 1116 D CB 1.198 42.153 40.800 0.258 0.000 1.111 1116 D HN 0.354 nan 8.370 nan 0.000 0.544 1117 L N 1.462 122.839 121.223 0.257 0.000 2.479 1117 L HA 0.520 4.860 4.340 0.000 0.000 0.248 1117 L C 1.369 178.359 176.870 0.200 0.000 1.205 1117 L CA -0.759 54.303 54.840 0.372 0.000 0.817 1117 L CB 0.544 42.754 42.059 0.251 0.000 1.162 1117 L HN 0.351 nan 8.230 nan 0.000 0.486 1118 A N 0.158 123.060 122.820 0.137 0.000 2.267 1118 A HA 0.486 4.806 4.320 0.000 0.000 0.271 1118 A C 0.480 178.019 177.584 -0.076 0.000 1.131 1118 A CA 0.081 52.045 52.037 -0.121 0.000 0.818 1118 A CB -0.190 18.608 19.000 -0.336 0.000 1.118 1118 A HN 0.778 nan 8.150 nan 0.000 0.501 1119 G N -0.200 108.542 108.800 -0.097 0.000 2.272 1119 G HA2 0.319 4.279 3.960 0.000 0.000 0.247 1119 G HA3 0.319 4.279 3.960 0.000 0.000 0.247 1119 G C 0.979 175.787 174.900 -0.154 0.000 1.272 1119 G CA 0.457 45.496 45.100 -0.103 0.000 0.921 1119 G HN 1.411 nan 8.290 nan 0.000 0.495 1120 S N 1.179 116.723 115.700 -0.261 0.000 2.595 1120 S HA -0.041 4.429 4.470 0.000 0.000 0.235 1120 S C 0.792 175.323 174.600 -0.115 0.000 0.974 1120 S CA 0.612 58.583 58.200 -0.382 0.000 0.942 1120 S CB -0.043 62.686 63.200 -0.785 0.000 0.766 1120 S HN 0.770 nan 8.310 nan 0.000 0.536 1121 E N 0.788 120.954 120.200 -0.056 0.000 2.376 1121 E HA 0.379 4.729 4.350 0.000 0.000 0.254 1121 E C -0.186 176.424 176.600 0.017 0.000 1.213 1121 E CA -0.830 55.575 56.400 0.009 0.000 0.945 1121 E CB 0.583 30.290 29.700 0.010 0.000 1.057 1121 E HN 0.082 nan 8.360 nan 0.000 0.479 1122 R N 0.150 120.675 120.500 0.042 0.000 2.758 1122 R HA 0.528 4.868 4.340 0.000 0.000 0.265 1122 R C -0.971 175.348 176.300 0.031 0.000 1.016 1122 R CA -0.654 55.472 56.100 0.043 0.000 1.040 1122 R CB 1.732 32.072 30.300 0.066 0.000 1.152 1122 R HN 0.331 nan 8.270 nan 0.000 0.503 1141 K N 0.591 121.043 120.400 0.086 0.000 2.218 1141 K HA -0.166 4.154 4.320 0.000 0.000 0.205 1141 K C 1.456 178.176 176.600 0.201 0.000 1.046 1141 K CA 1.946 58.316 56.287 0.138 0.000 0.933 1141 K CB -0.346 32.242 32.500 0.147 0.000 0.728 1141 K HN 0.316 nan 8.250 nan 0.000 0.454 1142 S N 2.442 118.224 115.700 0.136 0.000 2.336 1142 S HA -0.099 4.371 4.470 0.000 0.000 0.214 1142 S C 2.013 176.560 174.600 -0.089 0.000 1.032 1142 S CA 0.839 58.958 58.200 -0.135 0.000 1.001 1142 S CB -0.645 62.471 63.200 -0.141 0.000 0.953 1142 S HN 0.145 nan 8.310 nan 0.000 0.430 1143 L N 1.963 123.169 121.223 -0.030 0.000 2.263 1143 L HA -0.052 4.288 4.340 0.000 0.000 0.216 1143 L C 2.835 179.679 176.870 -0.042 0.000 1.111 1143 L CA 1.606 56.417 54.840 -0.047 0.000 0.773 1143 L CB -1.881 40.156 42.059 -0.035 0.000 0.906 1143 L HN 0.533 nan 8.230 nan 0.000 0.439 1144 S N -0.364 115.339 115.700 0.006 0.000 2.357 1144 S HA -0.059 4.411 4.470 0.000 0.000 0.221 1144 S C 2.103 176.724 174.600 0.035 0.000 1.031 1144 S CA 1.102 59.322 58.200 0.034 0.000 0.982 1144 S CB 0.144 63.382 63.200 0.064 0.000 0.853 1144 S HN 0.459 nan 8.310 nan 0.000 0.458 1145 A N 0.933 123.779 122.820 0.044 0.000 1.969 1145 A HA 0.077 4.397 4.320 0.000 0.000 0.218 1145 A C 2.066 179.655 177.584 0.008 0.000 1.169 1145 A CA 1.297 53.363 52.037 0.050 0.000 0.635 1145 A CB -0.647 18.416 19.000 0.105 0.000 0.810 1145 A HN 0.551 nan 8.150 nan 0.000 0.445 1146 L N -0.201 120.999 121.223 -0.039 0.000 2.156 1146 L HA 0.076 4.416 4.340 0.000 0.000 0.208 1146 L C 2.252 179.087 176.870 -0.058 0.000 1.095 1146 L CA 1.904 56.704 54.840 -0.067 0.000 0.770 1146 L CB -0.633 41.355 42.059 -0.119 0.000 0.914 1146 L HN 0.271 nan 8.230 nan 0.000 0.439 1147 G N -1.358 107.401 108.800 -0.069 0.000 2.448 1147 G HA2 -0.181 3.779 3.960 0.000 0.000 0.218 1147 G HA3 -0.181 3.779 3.960 0.000 0.000 0.218 1147 G C 1.190 176.160 174.900 0.116 0.000 1.135 1147 G CA 0.713 45.789 45.100 -0.038 0.000 0.784 1147 G HN 0.424 nan 8.290 nan 0.000 0.543 1148 D N 0.345 120.784 120.400 0.066 0.000 2.213 1148 D HA -0.036 4.604 4.640 0.000 0.000 0.205 1148 D C 2.640 178.947 176.300 0.013 0.000 0.961 1148 D CA 0.471 54.507 54.000 0.059 0.000 0.853 1148 D CB 0.124 40.953 40.800 0.048 0.000 0.967 1148 D HN 0.220 nan 8.370 nan 0.000 0.496 1149 V N 1.411 121.316 119.914 -0.015 0.000 2.719 1149 V HA -0.111 4.009 4.120 0.000 0.000 0.252 1149 V C 2.424 178.504 176.094 -0.024 0.000 1.065 1149 V CA 0.755 63.014 62.300 -0.069 0.000 1.086 1149 V CB -0.147 31.649 31.823 -0.046 0.000 0.700 1149 V HN 0.144 nan 8.190 nan 0.000 0.467 1150 I N -0.213 120.369 120.570 0.020 0.000 2.439 1150 I HA -0.136 4.034 4.170 0.000 0.000 0.251 1150 I C 2.404 178.562 176.117 0.067 0.000 1.139 1150 I CA 1.062 62.393 61.300 0.051 0.000 1.438 1150 I CB -0.122 37.926 38.000 0.080 0.000 1.085 1150 I HN 0.255 nan 8.210 nan 0.000 0.427 1151 S N 0.741 116.488 115.700 0.077 0.000 2.377 1151 S HA -0.019 4.451 4.470 0.000 0.000 0.223 1151 S C 2.297 176.910 174.600 0.023 0.000 1.030 1151 S CA 1.013 59.251 58.200 0.062 0.000 0.970 1151 S CB -0.236 63.012 63.200 0.080 0.000 0.830 1151 S HN 0.486 nan 8.310 nan 0.000 0.473 1152 A N 1.985 124.805 122.820 -0.001 0.000 1.865 1152 A HA -0.067 4.253 4.320 0.000 0.000 0.217 1152 A C 2.070 179.636 177.584 -0.029 0.000 1.191 1152 A CA 1.361 53.381 52.037 -0.028 0.000 0.623 1152 A CB -0.942 18.005 19.000 -0.088 0.000 0.826 1152 A HN 0.454 nan 8.150 nan 0.000 0.444 1153 L N -0.733 120.472 121.223 -0.030 0.000 2.275 1153 L HA -0.103 4.237 4.340 0.000 0.000 0.215 1153 L C 2.700 179.575 176.870 0.008 0.000 1.119 1153 L CA 1.296 56.132 54.840 -0.008 0.000 0.790 1153 L CB -0.283 41.784 42.059 0.014 0.000 0.919 1153 L HN 0.472 nan 8.230 nan 0.000 0.443 1154 S N -1.352 114.355 115.700 0.012 0.000 2.458 1154 S HA -0.035 4.435 4.470 0.000 0.000 0.223 1154 S C 2.067 176.670 174.600 0.005 0.000 1.019 1154 S CA 0.863 59.071 58.200 0.013 0.000 0.937 1154 S CB 0.170 63.382 63.200 0.019 0.000 0.788 1154 S HN 0.335 nan 8.310 nan 0.000 0.511 1155 S N -0.300 115.403 115.700 0.004 0.000 2.458 1155 S HA 0.334 4.804 4.470 0.000 0.000 0.223 1155 S C 1.414 176.015 174.600 0.002 0.000 1.019 1155 S CA 0.655 58.857 58.200 0.003 0.000 0.937 1155 S CB 0.328 63.531 63.200 0.006 0.000 0.788 1155 S HN 0.808 nan 8.310 nan 0.000 0.511 1156 G N 2.057 110.857 108.800 0.000 0.000 2.159 1156 G HA2 -0.219 3.741 3.960 0.000 0.000 0.227 1156 G HA3 -0.219 3.741 3.960 0.000 0.000 0.227 1156 G C -0.182 174.718 174.900 0.001 0.000 0.986 1156 G CA -0.382 44.719 45.100 0.001 0.000 0.651 1156 G HN 0.501 nan 8.290 nan 0.000 0.523 1157 N N -0.072 118.628 118.700 0.000 0.000 2.292 1157 N HA 0.132 4.872 4.740 0.000 0.000 0.242 1157 N C 1.136 176.649 175.510 0.006 0.000 1.243 1157 N CA 0.429 53.485 53.050 0.009 0.000 0.851 1157 N CB 0.294 38.790 38.487 0.015 0.000 1.093 1157 N HN 0.232 nan 8.380 nan 0.000 0.450 1158 Q N 0.787 120.604 119.800 0.028 0.000 2.432 1158 Q HA -0.020 4.320 4.340 0.000 0.000 0.205 1158 Q C -0.454 175.573 176.000 0.045 0.000 0.945 1158 Q CA 1.018 56.839 55.803 0.030 0.000 0.924 1158 Q CB 0.040 28.800 28.738 0.038 0.000 1.016 1158 Q HN 0.485 nan 8.270 nan 0.000 0.503 1159 H N 0.624 119.665 119.070 -0.049 0.000 2.595 1159 H HA 0.249 4.805 4.556 0.000 0.000 0.313 1159 H C -1.045 174.207 175.328 -0.127 0.000 1.023 1159 H CA -0.639 55.366 56.048 -0.071 0.000 1.218 1159 H CB 0.352 30.085 29.762 -0.048 0.000 1.403 1159 H HN -0.016 nan 8.280 nan 0.000 0.477 1160 I N 8.310 128.486 120.570 -0.657 0.000 2.328 1160 I HA 0.198 4.368 4.170 0.000 0.000 0.287 1160 I C -2.392 173.177 176.117 -0.914 0.000 1.012 1160 I CA -2.991 57.877 61.300 -0.719 0.000 1.195 1160 I CB 1.235 38.729 38.000 -0.843 0.000 1.350 1160 I HN 0.461 nan 8.210 nan 0.000 0.464 1161 P HA 0.089 nan 4.420 nan 0.000 0.263 1161 P C -0.316 176.861 177.300 -0.204 0.000 1.601 1161 P CA 0.180 63.087 63.100 -0.321 0.000 1.161 1161 P CB 0.129 31.779 31.700 -0.084 0.000 1.730 1162 Y N 2.155 122.404 120.300 -0.085 0.000 2.301 1162 Y HA 0.150 4.700 4.550 -0.000 0.000 0.295 1162 Y C 2.440 178.336 175.900 -0.007 0.000 1.126 1162 Y CA 0.660 58.733 58.100 -0.046 0.000 1.154 1162 Y CB -0.532 37.897 38.460 -0.051 0.000 1.075 1162 Y HN 0.157 nan 8.280 nan 0.000 0.534 1163 R N 0.705 121.306 120.500 0.169 0.000 2.357 1163 R HA -0.111 4.229 4.340 0.000 0.000 0.202 1163 R C 1.141 177.497 176.300 0.094 0.000 1.047 1163 R CA 0.527 56.696 56.100 0.115 0.000 1.034 1163 R CB -0.377 29.979 30.300 0.093 0.000 0.875 1163 R HN 0.348 nan 8.270 nan 0.000 0.473 1164 N N -0.427 118.332 118.700 0.098 0.000 2.309 1164 N HA -0.098 4.643 4.740 0.000 0.000 0.182 1164 N C 0.071 175.647 175.510 0.110 0.000 1.018 1164 N CA 1.104 54.207 53.050 0.088 0.000 0.876 1164 N CB 0.134 38.672 38.487 0.086 0.000 0.972 1164 N HN 0.154 nan 8.380 nan 0.000 0.434 1165 H N -1.184 117.908 119.070 0.037 0.000 3.037 1165 H HA 0.278 4.834 4.556 0.000 0.000 0.355 1165 H C 0.015 175.358 175.328 0.025 0.000 1.263 1165 H CA -0.593 55.472 56.048 0.028 0.000 1.129 1165 H CB 1.131 30.904 29.762 0.019 0.000 1.861 1165 H HN -0.232 nan 8.280 nan 0.000 0.546 1166 K N 1.533 122.284 120.400 0.584 0.000 2.057 1166 K HA -0.139 4.181 4.320 0.000 0.000 0.207 1166 K C 1.830 178.488 176.600 0.097 0.000 1.049 1166 K CA 1.429 57.876 56.287 0.266 0.000 0.931 1166 K CB 0.043 32.693 32.500 0.250 0.000 0.714 1166 K HN 0.216 nan 8.250 nan 0.000 0.440 1167 L N 1.812 122.995 121.223 -0.066 0.000 1.997 1167 L HA -0.243 4.097 4.340 0.000 0.000 0.216 1167 L C 2.186 178.966 176.870 -0.151 0.000 1.074 1167 L CA 2.489 57.193 54.840 -0.228 0.000 0.763 1167 L CB -1.315 40.444 42.059 -0.501 0.000 0.890 1167 L HN 0.353 nan 8.230 nan 0.000 0.434 1168 T N -3.711 110.792 114.554 -0.085 0.000 3.098 1168 T HA -0.123 4.227 4.350 0.000 0.000 0.266 1168 T C 1.734 176.432 174.700 -0.004 0.000 1.145 1168 T CA 1.387 63.481 62.100 -0.011 0.000 1.092 1168 T CB -0.424 68.498 68.868 0.090 0.000 0.908 1168 T HN 0.407 nan 8.240 nan 0.000 0.526 1169 M N 0.033 119.629 119.600 -0.007 0.000 2.325 1169 M HA 0.202 4.682 4.480 0.000 0.000 0.265 1169 M C 1.930 178.182 176.300 -0.080 0.000 1.094 1169 M CA 0.712 55.989 55.300 -0.039 0.000 1.161 1169 M CB -0.142 32.469 32.600 0.018 0.000 1.358 1169 M HN 0.146 nan 8.290 nan 0.000 0.446 1170 L N 0.206 121.397 121.223 -0.053 0.000 2.083 1170 L HA -0.130 4.210 4.340 0.000 0.000 0.209 1170 L C 2.018 178.834 176.870 -0.089 0.000 1.083 1170 L CA 1.556 56.370 54.840 -0.044 0.000 0.752 1170 L CB -0.844 41.200 42.059 -0.025 0.000 0.899 1170 L HN 0.437 nan 8.230 nan 0.000 0.433 1171 M N -1.240 118.278 119.600 -0.138 0.000 2.581 1171 M HA 0.054 4.534 4.480 0.000 0.000 0.224 1171 M C 1.941 178.107 176.300 -0.223 0.000 1.171 1171 M CA 0.150 55.342 55.300 -0.179 0.000 0.993 1171 M CB -0.569 31.893 32.600 -0.230 0.000 1.685 1171 M HN 0.073 nan 8.290 nan 0.000 0.479 1172 S N 2.088 117.611 115.700 -0.295 0.000 2.402 1172 S HA -0.178 4.292 4.470 0.000 0.000 0.233 1172 S C 1.219 175.573 174.600 -0.411 0.000 1.030 1172 S CA 2.103 59.963 58.200 -0.566 0.000 1.003 1172 S CB -0.271 62.636 63.200 -0.488 0.000 0.813 1172 S HN 0.661 nan 8.310 nan 0.000 0.477 1173 D N 0.328 120.600 120.400 -0.214 0.000 2.338 1173 D HA 0.126 4.766 4.640 0.000 0.000 0.208 1173 D C 1.711 177.964 176.300 -0.079 0.000 0.997 1173 D CA 0.451 54.378 54.000 -0.121 0.000 0.880 1173 D CB -0.581 40.179 40.800 -0.068 0.000 0.980 1173 D HN 0.187 nan 8.370 nan 0.000 0.509 1174 S N 0.279 115.921 115.700 -0.096 0.000 2.356 1174 S HA -0.014 4.456 4.470 0.000 0.000 0.223 1174 S C 0.553 175.128 174.600 -0.040 0.000 1.032 1174 S CA 0.552 58.710 58.200 -0.070 0.000 1.005 1174 S CB -0.090 63.023 63.200 -0.144 0.000 0.867 1174 S HN 0.184 nan 8.310 nan 0.000 0.449 1175 L N 1.143 122.336 121.223 -0.051 0.000 2.264 1175 L HA 0.501 4.841 4.340 0.000 0.000 0.287 1175 L C 1.384 178.308 176.870 0.091 0.000 1.039 1175 L CA 0.470 55.325 54.840 0.024 0.000 0.829 1175 L CB -0.355 41.721 42.059 0.028 0.000 1.211 1175 L HN 0.458 nan 8.230 nan 0.000 0.427 1176 G N 2.755 111.599 108.800 0.073 0.000 2.383 1176 G HA2 -0.257 3.703 3.960 0.000 0.000 0.229 1176 G HA3 -0.257 3.703 3.960 0.000 0.000 0.229 1176 G C 0.633 175.574 174.900 0.069 0.000 1.089 1176 G CA 0.088 45.241 45.100 0.088 0.000 0.640 1176 G HN 0.908 nan 8.290 nan 0.000 0.510 1177 G N 0.239 109.064 108.800 0.043 0.000 2.486 1177 G HA2 0.371 4.331 3.960 0.000 0.000 0.272 1177 G HA3 0.371 4.331 3.960 0.000 0.000 0.272 1177 G C 0.198 175.110 174.900 0.019 0.000 1.426 1177 G CA 0.425 45.533 45.100 0.014 0.000 1.058 1177 G HN 0.797 nan 8.290 nan 0.000 0.531 1178 N N 0.402 119.111 118.700 0.015 0.000 2.549 1178 N HA 0.464 5.204 4.740 0.000 0.000 0.267 1178 N C -0.314 175.226 175.510 0.050 0.000 1.182 1178 N CA 0.623 53.696 53.050 0.037 0.000 1.019 1178 N CB -0.216 38.289 38.487 0.029 0.000 1.380 1178 N HN 0.767 nan 8.380 nan 0.000 0.505 1179 A N 2.326 125.182 122.820 0.060 0.000 2.581 1179 A HA 0.318 4.638 4.320 0.000 0.000 0.294 1179 A C -1.231 176.370 177.584 0.029 0.000 1.035 1179 A CA -0.929 51.144 52.037 0.061 0.000 0.684 1179 A CB 0.941 19.956 19.000 0.024 0.000 1.282 1179 A HN 0.381 nan 8.150 nan 0.000 0.417 1180 K N 1.823 122.220 120.400 -0.006 0.000 2.266 1180 K HA 0.464 4.784 4.320 0.000 0.000 0.274 1180 K C -0.635 175.953 176.600 -0.020 0.000 1.090 1180 K CA -0.098 56.149 56.287 -0.067 0.000 0.925 1180 K CB 1.174 33.556 32.500 -0.197 0.000 1.225 1180 K HN 0.695 nan 8.250 nan 0.000 0.458 1181 T N 2.923 117.485 114.554 0.014 0.000 2.907 1181 T HA 0.406 4.756 4.350 0.000 0.000 0.284 1181 T C -0.631 174.103 174.700 0.056 0.000 1.004 1181 T CA -0.550 61.587 62.100 0.062 0.000 1.063 1181 T CB 0.901 69.841 68.868 0.120 0.000 0.992 1181 T HN 0.263 nan 8.240 nan 0.000 0.483 1182 L N 2.717 123.968 121.223 0.047 0.000 2.371 1182 L HA 0.833 5.173 4.340 0.000 0.000 0.262 1182 L C -1.155 175.607 176.870 -0.181 0.000 1.006 1182 L CA -0.900 53.898 54.840 -0.071 0.000 0.818 1182 L CB 2.038 44.016 42.059 -0.135 0.000 1.354 1182 L HN 0.780 nan 8.230 nan 0.000 0.415 1183 M N 3.076 122.455 119.600 -0.369 0.000 2.433 1183 M HA 0.509 4.989 4.480 0.000 0.000 0.290 1183 M C -2.086 173.922 176.300 -0.487 0.000 1.173 1183 M CA -0.318 54.578 55.300 -0.672 0.000 0.905 1183 M CB 2.064 34.213 32.600 -0.752 0.000 1.692 1183 M HN 0.535 nan 8.290 nan 0.000 0.462 1184 F N 3.828 123.557 119.950 -0.368 0.000 2.366 1184 F HA 0.394 4.921 4.527 0.000 0.000 0.366 1184 F C -0.015 175.716 175.800 -0.115 0.000 1.096 1184 F CA -0.645 57.267 58.000 -0.146 0.000 1.060 1184 F CB 1.756 40.703 39.000 -0.087 0.000 1.282 1184 F HN 0.367 nan 8.300 nan 0.000 0.450 1185 V N 5.670 125.580 119.914 -0.007 0.000 2.381 1185 V HA 0.169 4.289 4.120 0.000 0.000 0.257 1185 V C -0.076 176.047 176.094 0.048 0.000 1.057 1185 V CA -0.079 62.215 62.300 -0.009 0.000 1.013 1185 V CB -0.396 31.295 31.823 -0.220 0.000 1.069 1185 V HN 0.694 nan 8.190 nan 0.000 0.484 1186 N N 7.438 126.203 118.700 0.109 0.000 2.406 1186 N HA 0.370 5.110 4.740 0.000 0.000 0.251 1186 N C -0.629 174.913 175.510 0.055 0.000 1.069 1186 N CA -0.522 52.581 53.050 0.087 0.000 0.947 1186 N CB 0.606 39.141 38.487 0.081 0.000 1.111 1186 N HN 0.536 nan 8.380 nan 0.000 0.497 1187 I N 0.980 121.569 120.570 0.031 0.000 2.437 1187 I HA 0.218 4.388 4.170 0.000 0.000 0.298 1187 I C 0.444 176.568 176.117 0.012 0.000 0.984 1187 I CA -0.484 60.824 61.300 0.014 0.000 1.214 1187 I CB 1.574 39.563 38.000 -0.018 0.000 1.365 1187 I HN 0.330 nan 8.210 nan 0.000 0.469 1188 S N 7.096 122.805 115.700 0.014 0.000 2.461 1188 S HA 0.386 4.856 4.470 0.000 0.000 0.322 1188 S C -1.179 173.430 174.600 0.015 0.000 1.063 1188 S CA -1.539 56.666 58.200 0.009 0.000 1.120 1188 S CB 0.915 64.121 63.200 0.011 0.000 0.968 1188 S HN 0.441 nan 8.310 nan 0.000 0.467 1189 P HA -0.117 nan 4.420 nan 0.000 0.217 1189 P C 0.446 177.767 177.300 0.035 0.000 1.148 1189 P CA 0.654 63.768 63.100 0.024 0.000 0.834 1189 P CB -0.230 31.482 31.700 0.021 0.000 0.783 1190 A N 1.209 124.046 122.820 0.028 0.000 2.591 1190 A HA -0.144 4.176 4.320 0.000 0.000 0.244 1190 A C 1.781 179.394 177.584 0.048 0.000 1.031 1190 A CA 0.379 52.436 52.037 0.032 0.000 0.767 1190 A CB -0.538 18.476 19.000 0.024 0.000 0.942 1190 A HN 0.287 nan 8.150 nan 0.000 0.514 1191 E N 2.544 122.774 120.200 0.051 0.000 2.070 1191 E HA -0.254 4.096 4.350 0.000 0.000 0.197 1191 E C 2.082 178.716 176.600 0.058 0.000 1.004 1191 E CA 1.962 58.400 56.400 0.063 0.000 0.805 1191 E CB -0.122 29.609 29.700 0.051 0.000 0.744 1191 E HN 0.976 nan 8.360 nan 0.000 0.451 1192 S N 0.685 116.411 115.700 0.042 0.000 2.420 1192 S HA -0.141 4.329 4.470 0.000 0.000 0.237 1192 S C 1.265 175.894 174.600 0.048 0.000 1.023 1192 S CA 1.260 59.482 58.200 0.037 0.000 0.991 1192 S CB -0.278 62.938 63.200 0.027 0.000 0.792 1192 S HN 0.263 nan 8.310 nan 0.000 0.488 1193 N N 0.957 119.691 118.700 0.056 0.000 2.295 1193 N HA 0.284 5.024 4.740 0.000 0.000 0.221 1193 N C 1.006 176.575 175.510 0.098 0.000 1.129 1193 N CA -0.036 53.054 53.050 0.067 0.000 0.836 1193 N CB 0.220 38.738 38.487 0.051 0.000 1.040 1193 N HN 0.388 nan 8.380 nan 0.000 0.494 1194 L N 0.342 121.633 121.223 0.114 0.000 2.131 1194 L HA -0.147 4.193 4.340 0.000 0.000 0.210 1194 L C 1.508 178.534 176.870 0.261 0.000 1.092 1194 L CA 1.345 56.293 54.840 0.179 0.000 0.759 1194 L CB 0.114 42.287 42.059 0.190 0.000 0.903 1194 L HN 0.036 nan 8.230 nan 0.000 0.435 1195 D N -0.489 120.037 120.400 0.209 0.000 2.085 1195 D HA -0.174 4.466 4.640 0.000 0.000 0.199 1195 D C 2.044 178.523 176.300 0.299 0.000 0.981 1195 D CA 0.972 55.136 54.000 0.274 0.000 0.834 1195 D CB -0.051 40.847 40.800 0.164 0.000 0.992 1195 D HN 0.259 nan 8.370 nan 0.000 0.457 1196 E N 0.646 120.968 120.200 0.203 0.000 2.086 1196 E HA -0.158 4.192 4.350 0.000 0.000 0.200 1196 E C 2.176 178.895 176.600 0.198 0.000 1.012 1196 E CA 0.983 57.496 56.400 0.187 0.000 0.812 1196 E CB -0.776 28.999 29.700 0.126 0.000 0.743 1196 E HN 0.242 nan 8.360 nan 0.000 0.453 1197 T N 0.381 115.034 114.554 0.164 0.000 2.592 1197 T HA -0.265 4.085 4.350 0.000 0.000 0.267 1197 T C 1.733 176.501 174.700 0.114 0.000 1.060 1197 T CA 2.179 64.343 62.100 0.106 0.000 1.167 1197 T CB -0.622 68.281 68.868 0.059 0.000 0.863 1197 T HN 0.347 nan 8.240 nan 0.000 0.431 1198 H N 2.146 121.287 119.070 0.119 0.000 2.251 1198 H HA -0.086 4.470 4.556 0.000 0.000 0.294 1198 H C 2.312 177.670 175.328 0.050 0.000 1.078 1198 H CA 2.193 58.285 56.048 0.073 0.000 1.246 1198 H CB -0.507 29.401 29.762 0.244 0.000 1.358 1198 H HN 0.282 nan 8.280 nan 0.000 0.488 1199 N N 0.116 118.935 118.700 0.198 0.000 2.096 1199 N HA -0.192 4.548 4.740 0.000 0.000 0.195 1199 N C 2.063 177.694 175.510 0.201 0.000 1.017 1199 N CA 1.572 54.718 53.050 0.160 0.000 0.870 1199 N CB -0.471 38.200 38.487 0.306 0.000 1.024 1199 N HN 0.329 nan 8.380 nan 0.000 0.434 1200 S N 1.634 117.473 115.700 0.231 0.000 2.349 1200 S HA -0.030 4.440 4.470 0.000 0.000 0.216 1200 S C 2.294 176.916 174.600 0.036 0.000 1.033 1200 S CA 0.730 59.100 58.200 0.283 0.000 1.021 1200 S CB -0.579 62.762 63.200 0.236 0.000 0.968 1200 S HN 0.205 nan 8.310 nan 0.000 0.426 1201 L N 1.113 122.273 121.223 -0.105 0.000 2.034 1201 L HA -0.245 4.095 4.340 0.000 0.000 0.217 1201 L C 2.751 179.506 176.870 -0.191 0.000 1.077 1201 L CA 1.542 56.247 54.840 -0.225 0.000 0.769 1201 L CB -1.361 40.389 42.059 -0.516 0.000 0.890 1201 L HN 0.354 nan 8.230 nan 0.000 0.435 1202 T N -1.384 112.977 114.554 -0.321 0.000 2.580 1202 T HA -0.272 4.078 4.350 0.000 0.000 0.265 1202 T C 1.714 176.293 174.700 -0.201 0.000 1.063 1202 T CA 1.863 63.770 62.100 -0.322 0.000 1.170 1202 T CB -0.520 68.072 68.868 -0.461 0.000 0.863 1202 T HN 0.277 nan 8.240 nan 0.000 0.418 1203 Y N 1.049 121.264 120.300 -0.143 0.000 2.256 1203 Y HA -0.110 4.440 4.550 0.000 0.000 0.288 1203 Y C 2.649 178.418 175.900 -0.220 0.000 1.155 1203 Y CA 0.679 58.663 58.100 -0.193 0.000 1.203 1203 Y CB -0.313 37.956 38.460 -0.317 0.000 0.980 1203 Y HN 0.237 nan 8.280 nan 0.000 0.530 1204 A N -1.070 121.721 122.820 -0.048 0.000 1.872 1204 A HA -0.158 4.162 4.320 0.000 0.000 0.214 1204 A C 2.377 180.059 177.584 0.163 0.000 1.187 1204 A CA 1.801 53.825 52.037 -0.022 0.000 0.614 1204 A CB -0.930 18.002 19.000 -0.114 0.000 0.826 1204 A HN 0.327 nan 8.150 nan 0.000 0.442 1205 S N -0.660 115.164 115.700 0.207 0.000 2.382 1205 S HA -0.126 4.344 4.470 0.000 0.000 0.228 1205 S C 2.081 176.710 174.600 0.049 0.000 1.027 1205 S CA 1.177 59.463 58.200 0.143 0.000 0.991 1205 S CB -0.294 62.923 63.200 0.028 0.000 0.823 1205 S HN 0.557 nan 8.310 nan 0.000 0.469 1206 R N 0.458 120.971 120.500 0.023 0.000 2.096 1206 R HA -0.052 4.288 4.340 0.000 0.000 0.235 1206 R C 2.081 178.408 176.300 0.045 0.000 1.127 1206 R CA 1.215 57.325 56.100 0.016 0.000 0.968 1206 R CB -0.579 29.730 30.300 0.014 0.000 0.861 1206 R HN 0.265 nan 8.270 nan 0.000 0.440 1207 V N 1.129 121.084 119.914 0.069 0.000 2.568 1207 V HA -0.241 3.879 4.120 0.000 0.000 0.253 1207 V C 2.106 178.247 176.094 0.079 0.000 1.072 1207 V CA 1.636 63.989 62.300 0.088 0.000 1.084 1207 V CB -0.532 31.362 31.823 0.118 0.000 0.676 1207 V HN 0.319 nan 8.190 nan 0.000 0.469 1208 R N 0.596 121.138 120.500 0.071 0.000 2.189 1208 R HA -0.083 4.257 4.340 0.000 0.000 0.218 1208 R C 2.477 178.793 176.300 0.026 0.000 1.074 1208 R CA 1.368 57.499 56.100 0.051 0.000 0.991 1208 R CB -0.344 29.979 30.300 0.038 0.000 0.883 1208 R HN 0.714 nan 8.270 nan 0.000 0.457 1209 S N 0.674 116.386 115.700 0.020 0.000 2.436 1209 S HA 0.028 4.498 4.470 0.000 0.000 0.228 1209 S C 1.079 175.689 174.600 0.018 0.000 1.014 1209 S CA 0.002 58.208 58.200 0.009 0.000 0.950 1209 S CB -0.201 63.001 63.200 0.003 0.000 0.784 1209 S HN 0.099 nan 8.310 nan 0.000 0.504 1210 I N 2.832 123.420 120.570 0.031 0.000 2.752 1210 I HA 0.096 4.267 4.170 0.000 0.000 0.289 1210 I C -0.706 175.430 176.117 0.031 0.000 1.197 1210 I CA -0.215 61.106 61.300 0.036 0.000 1.432 1210 I CB 0.535 38.566 38.000 0.051 0.000 1.359 1210 I HN 0.052 nan 8.210 nan 0.000 0.571 1211 V N 6.277 126.208 119.914 0.027 0.000 2.407 1211 V HA 0.323 4.443 4.120 0.000 0.000 0.291 1211 V C -0.139 175.972 176.094 0.028 0.000 1.018 1211 V CA -0.833 61.480 62.300 0.022 0.000 0.842 1211 V CB 1.377 33.209 31.823 0.015 0.000 0.996 1211 V HN 0.661 nan 8.190 nan 0.000 0.426 1212 N N 2.253 120.969 118.700 0.027 0.000 2.476 1212 N HA 0.418 5.158 4.740 0.000 0.000 0.276 1212 N C -0.601 174.928 175.510 0.032 0.000 1.204 1212 N CA -0.675 52.395 53.050 0.032 0.000 0.974 1212 N CB 0.951 39.457 38.487 0.031 0.000 1.204 1212 N HN 0.694 nan 8.380 nan 0.000 0.543 1213 D N 0.623 121.047 120.400 0.041 0.000 2.485 1213 D HA 0.263 4.903 4.640 0.000 0.000 0.256 1213 D C -2.528 173.816 176.300 0.073 0.000 1.141 1213 D CA -1.956 52.073 54.000 0.048 0.000 0.942 1213 D CB 0.431 41.255 40.800 0.041 0.000 1.003 1213 D HN 0.249 nan 8.370 nan 0.000 0.507 1214 P HA 0.178 nan 4.420 nan 0.000 0.282 1214 P C -0.699 176.786 177.300 0.309 0.000 1.262 1214 P CA -0.357 62.869 63.100 0.210 0.000 0.773 1214 P CB 1.409 33.181 31.700 0.120 0.000 0.879 1215 S N 2.683 118.533 115.700 0.249 0.000 2.548 1215 S HA 0.309 4.779 4.470 0.000 0.000 0.276 1215 S C -0.685 173.749 174.600 -0.276 0.000 1.129 1215 S CA -0.855 57.361 58.200 0.026 0.000 0.931 1215 S CB 1.018 64.222 63.200 0.007 0.000 1.068 1215 S HN 0.221 nan 8.310 nan 0.000 0.480 1216 K N 2.910 122.988 120.400 -0.537 0.000 2.322 1216 K HA 0.142 4.462 4.320 0.000 0.000 0.283 1216 K C -0.203 176.236 176.600 -0.268 0.000 1.042 1216 K CA -0.461 55.459 56.287 -0.612 0.000 0.958 1216 K CB 0.250 32.413 32.500 -0.560 0.000 0.984 1216 K HN 0.470 nan 8.250 nan 0.000 0.473 1217 N N 3.689 122.269 118.700 -0.200 0.000 2.508 1217 N HA 0.045 4.785 4.740 0.000 0.000 0.253 1217 N C -1.105 174.353 175.510 -0.087 0.000 1.145 1217 N CA -0.298 52.690 53.050 -0.104 0.000 0.973 1217 N CB 0.123 38.571 38.487 -0.065 0.000 1.305 1217 N HN 0.250 nan 8.380 nan 0.000 0.506 1218 V N 0.934 120.804 119.914 -0.075 0.000 2.581 1218 V HA 0.517 4.637 4.120 0.000 0.000 0.303 1218 V C 0.470 176.546 176.094 -0.030 0.000 1.041 1218 V CA -0.936 61.333 62.300 -0.051 0.000 0.907 1218 V CB 1.686 33.479 31.823 -0.051 0.000 0.994 1218 V HN 0.454 nan 8.190 nan 0.000 0.442 1219 S N 2.268 117.956 115.700 -0.019 0.000 2.060 1219 S HA 0.325 4.795 4.470 0.000 0.000 0.156 1219 S C 0.400 174.997 174.600 -0.006 0.000 1.690 1219 S CA -0.458 57.736 58.200 -0.010 0.000 1.238 1219 S CB 0.242 63.437 63.200 -0.007 0.000 1.150 1219 S HN 1.073 nan 8.310 nan 0.000 0.437 1220 S N 1.891 117.587 115.700 -0.006 0.000 2.542 1220 S HA -0.022 4.448 4.470 0.000 0.000 0.287 1220 S C 1.237 175.834 174.600 -0.005 0.000 1.315 1220 S CA -0.318 57.879 58.200 -0.006 0.000 1.037 1220 S CB 0.400 63.596 63.200 -0.006 0.000 0.822 1220 S HN 0.625 nan 8.310 nan 0.000 0.513 1221 K N 0.908 121.302 120.400 -0.009 0.000 2.585 1221 K HA -0.111 4.209 4.320 0.000 0.000 0.194 1221 K C 0.769 177.367 176.600 -0.003 0.000 1.037 1221 K CA 1.083 57.364 56.287 -0.010 0.000 0.964 1221 K CB -0.061 32.428 32.500 -0.018 0.000 0.787 1221 K HN 0.722 nan 8.250 nan 0.000 0.488 1222 E N -0.060 120.140 120.200 -0.001 0.000 2.175 1222 E HA -0.020 4.330 4.350 0.000 0.000 0.195 1222 E C 2.005 178.610 176.600 0.009 0.000 0.934 1222 E CA 0.536 56.938 56.400 0.004 0.000 0.870 1222 E CB 0.081 29.782 29.700 0.001 0.000 0.838 1222 E HN 0.073 nan 8.360 nan 0.000 0.474 1223 V N 1.956 121.874 119.914 0.006 0.000 2.515 1223 V HA -0.173 3.947 4.120 0.000 0.000 0.250 1223 V C 2.427 178.530 176.094 0.014 0.000 1.058 1223 V CA 1.716 64.022 62.300 0.009 0.000 1.064 1223 V CB -0.793 31.032 31.823 0.003 0.000 0.675 1223 V HN 0.198 nan 8.190 nan 0.000 0.461 1224 A N -0.042 122.785 122.820 0.012 0.000 2.067 1224 A HA -0.207 4.113 4.320 0.000 0.000 0.219 1224 A C 2.409 180.008 177.584 0.026 0.000 1.158 1224 A CA 1.728 53.775 52.037 0.015 0.000 0.661 1224 A CB -0.529 18.475 19.000 0.008 0.000 0.801 1224 A HN 0.497 nan 8.150 nan 0.000 0.452 1225 R N -0.264 120.252 120.500 0.027 0.000 2.075 1225 R HA -0.013 4.327 4.340 0.000 0.000 0.232 1225 R C 1.884 178.219 176.300 0.059 0.000 1.126 1225 R CA 1.295 57.418 56.100 0.039 0.000 0.963 1225 R CB -0.357 29.963 30.300 0.033 0.000 0.858 1225 R HN 0.522 nan 8.270 nan 0.000 0.435 1226 L N 0.934 122.188 121.223 0.051 0.000 2.042 1226 L HA -0.212 4.128 4.340 0.000 0.000 0.210 1226 L C 2.540 179.454 176.870 0.073 0.000 1.076 1226 L CA 1.355 56.231 54.840 0.059 0.000 0.749 1226 L CB -0.513 41.567 42.059 0.036 0.000 0.893 1226 L HN 0.164 nan 8.230 nan 0.000 0.432 1227 K N 0.451 120.885 120.400 0.057 0.000 2.074 1227 K HA -0.227 4.093 4.320 0.000 0.000 0.209 1227 K C 2.149 178.802 176.600 0.089 0.000 1.048 1227 K CA 1.513 57.836 56.287 0.060 0.000 0.926 1227 K CB -0.231 32.294 32.500 0.042 0.000 0.713 1227 K HN 0.149 nan 8.250 nan 0.000 0.444 1228 K N 1.137 121.592 120.400 0.093 0.000 2.026 1228 K HA -0.037 4.283 4.320 0.000 0.000 0.208 1228 K C 2.130 178.853 176.600 0.206 0.000 1.048 1228 K CA 0.714 57.071 56.287 0.118 0.000 0.929 1228 K CB -0.393 32.157 32.500 0.084 0.000 0.713 1228 K HN 0.036 nan 8.250 nan 0.000 0.439 1229 L N 0.577 121.938 121.223 0.231 0.000 1.997 1229 L HA -0.245 4.095 4.340 0.000 0.000 0.216 1229 L C 2.361 179.510 176.870 0.465 0.000 1.074 1229 L CA 2.262 57.334 54.840 0.385 0.000 0.763 1229 L CB -1.053 41.180 42.059 0.291 0.000 0.890 1229 L HN 0.219 nan 8.230 nan 0.000 0.434 1230 V N -3.118 116.944 119.914 0.247 0.000 2.295 1230 V HA -0.258 3.862 4.120 0.000 0.000 0.246 1230 V C 2.592 178.807 176.094 0.203 0.000 1.049 1230 V CA 2.286 64.696 62.300 0.183 0.000 1.024 1230 V CB -0.525 31.350 31.823 0.086 0.000 0.648 1230 V HN 0.386 nan 8.190 nan 0.000 0.447 1231 S N -0.718 115.087 115.700 0.175 0.000 2.356 1231 S HA -0.214 4.256 4.470 0.000 0.000 0.223 1231 S C 1.938 176.648 174.600 0.183 0.000 1.032 1231 S CA 1.812 60.099 58.200 0.146 0.000 1.005 1231 S CB -0.731 62.538 63.200 0.116 0.000 0.867 1231 S HN 0.894 nan 8.310 nan 0.000 0.449 1232 Y N 0.791 121.129 120.300 0.063 0.000 2.097 1232 Y HA -0.168 4.382 4.550 0.000 0.000 0.282 1232 Y C 1.733 177.582 175.900 -0.084 0.000 1.152 1232 Y CA 1.561 59.630 58.100 -0.052 0.000 1.136 1232 Y CB -1.281 37.091 38.460 -0.148 0.000 0.975 1232 Y HN 0.394 nan 8.280 nan 0.000 0.498 1233 W N 1.204 122.271 121.300 -0.389 0.000 2.338 1233 W HA -0.166 4.494 4.660 0.000 0.000 0.304 1233 W C 2.499 178.884 176.519 -0.223 0.000 1.212 1233 W CA 2.145 59.216 57.345 -0.458 0.000 1.264 1233 W CB -0.407 28.887 29.460 -0.277 0.000 1.142 1233 W HN -0.020 nan 8.180 nan 0.000 0.512 1234 K N 0.199 120.665 120.400 0.109 0.000 2.103 1234 K HA -0.247 4.073 4.320 0.000 0.000 0.207 1234 K C 1.777 178.399 176.600 0.038 0.000 1.048 1234 K CA 1.659 57.988 56.287 0.071 0.000 0.930 1234 K CB -0.458 32.084 32.500 0.071 0.000 0.716 1234 K HN 0.254 nan 8.250 nan 0.000 0.444 1235 E N 1.346 121.566 120.200 0.034 0.000 2.273 1235 E HA -0.225 4.125 4.350 0.000 0.000 0.198 1235 E C 0.350 176.958 176.600 0.014 0.000 1.002 1235 E CA 0.920 57.344 56.400 0.039 0.000 0.828 1235 E CB 0.157 29.909 29.700 0.087 0.000 0.747 1235 E HN 0.127 nan 8.360 nan 0.000 0.491 1236 Q N 0.282 120.068 119.800 -0.023 0.000 3.027 1236 Q HA 0.360 4.700 4.340 0.000 0.000 0.260 1236 Q C -0.760 175.246 176.000 0.011 0.000 1.379 1236 Q CA 0.551 56.340 55.803 -0.024 0.000 1.038 1236 Q CB 0.529 29.224 28.738 -0.070 0.000 1.578 1236 Q HN 0.417 nan 8.270 nan 0.000 0.571 1246 L N 2.575 123.797 121.223 -0.001 0.000 2.483 1246 L HA 0.141 4.481 4.340 0.000 0.000 0.275 1246 L C 0.547 177.416 176.870 -0.003 0.000 1.220 1246 L CA 0.733 55.570 54.840 -0.005 0.000 0.833 1246 L CB 0.345 42.398 42.059 -0.011 0.000 1.102 1246 L HN 0.107 nan 8.230 nan 0.000 0.490 1247 E N 0.816 121.014 120.200 -0.003 0.000 2.334 1247 E HA 0.347 4.697 4.350 0.000 0.000 0.256 1247 E C -0.975 175.625 176.600 -0.000 0.000 0.958 1247 E CA -0.923 55.477 56.400 0.000 0.000 0.821 1247 E CB 1.080 30.781 29.700 0.002 0.000 1.269 1247 E HN 0.372 nan 8.360 nan 0.000 0.413 1248 E N 0.693 120.896 120.200 0.005 0.000 2.349 1248 E HA 0.180 4.530 4.350 0.000 0.000 0.262 1248 E C 0.163 176.769 176.600 0.010 0.000 1.088 1248 E CA -0.360 56.045 56.400 0.009 0.000 0.899 1248 E CB 0.580 30.289 29.700 0.016 0.000 1.044 1248 E HN 0.343 nan 8.360 nan 0.000 0.420 1249 I N 2.094 122.671 120.570 0.012 0.000 2.683 1249 I HA -0.114 4.056 4.170 0.000 0.000 0.286 1249 I C 1.065 177.212 176.117 0.049 0.000 1.175 1249 I CA 0.483 61.791 61.300 0.014 0.000 1.429 1249 I CB -0.013 37.998 38.000 0.019 0.000 1.371 1249 I HN 0.383 nan 8.210 nan 0.000 0.569 1250 Q N 5.654 125.489 119.800 0.060 0.000 2.230 1250 Q HA 0.206 4.546 4.340 0.000 0.000 0.253 1250 Q C -0.831 175.283 176.000 0.191 0.000 0.919 1250 Q CA -0.500 55.360 55.803 0.095 0.000 0.908 1250 Q CB 1.614 30.394 28.738 0.071 0.000 1.245 1250 Q HN 0.568 nan 8.270 nan 0.000 0.437 1251 D N 1.935 122.415 120.400 0.133 0.000 2.434 1251 D HA 0.030 4.670 4.640 0.000 0.000 0.232 1251 D C -0.117 176.141 176.300 -0.070 0.000 1.166 1251 D CA 0.113 54.142 54.000 0.048 0.000 0.830 1251 D CB 0.416 41.205 40.800 -0.018 0.000 0.960 1251 D HN 0.582 nan 8.370 nan 0.000 0.497 1252 E N 0.000 120.247 120.200 0.078 0.000 2.725 1252 E HA 0.000 4.350 4.350 0.000 0.000 0.291 1252 E CA 0.000 56.425 56.400 0.041 0.000 0.976 1252 E CB 0.000 29.734 29.700 0.057 0.000 0.812 1252 E HN 0.000 nan 8.360 nan 0.000 0.440