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 2vfv_1_A DATA FIRST_RESID 0 DATA SEQUENCE FMSDITVTNW AGNITYTAKE LLRPHSLDAL RALVADSARV RVLGSGHSFN DATA SEQUENCE EIAEPGDGGV LLSLAGLPSV VDVDTAARTV RVGGGVRYAE LARVVHARGL DATA SEQUENCE ALPNMASLPH ISVAGSVATG THGSGVGNGS LASVVREVEL VTADGSTVVI DATA SEQUENCE ARGDERFGGA VTSLGALGVV TSLTLDLEPA YEMEQHVFTE LPLAGLDPAT DATA SEQUENCE FETVMAAAYS VSLFTDWRAP GFRQVWLKRR TDRPLDGFPY AAPAAEKMHP DATA SEQUENCE VPGMPAVNCT EQFGVPGPWH ERLPHFRAEF TPSSGAELQS EYLMPREHAL DATA SEQUENCE AALHAMDAIR ETLAPVLQTC EIRTVAADAQ WLSPAYGRDT VAAHFTWVED DATA SEQUENCE TAAVLPVVRR LEEALVPFAA RPHWGKVFTV PAGELRALYP RLADFGALAG DATA SEQUENCE ALDPAGKFTN AFVRGVLA 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 0 F HA 0.000 nan 4.527 nan 0.000 0.279 0 F C 0.000 175.799 175.800 -0.001 0.000 0.967 0 F CA 0.000 57.998 58.000 -0.003 0.000 1.383 0 F CB 0.000 38.997 39.000 -0.005 0.000 1.145 1 M N 2.001 121.723 119.600 0.204 0.000 2.563 1 M HA 0.232 4.706 4.480 -0.009 0.000 0.231 1 M C 0.748 177.074 176.300 0.043 0.000 1.136 1 M CA 0.404 55.781 55.300 0.127 0.000 1.026 1 M CB -1.139 31.543 32.600 0.137 0.000 1.597 1 M HN 0.231 nan 8.290 nan 0.000 0.495 2 S N 0.275 115.984 115.700 0.015 0.000 2.593 2 S HA 0.170 4.634 4.470 -0.009 0.000 0.269 2 S C -0.112 174.476 174.600 -0.019 0.000 1.334 2 S CA -0.696 57.503 58.200 -0.001 0.000 1.015 2 S CB 0.910 64.108 63.200 -0.005 0.000 0.912 2 S HN 0.196 nan 8.310 nan 0.000 0.541 3 D N 1.375 121.769 120.400 -0.011 0.000 2.425 3 D HA 0.313 4.948 4.640 -0.009 0.000 0.247 3 D C 0.384 176.670 176.300 -0.022 0.000 1.147 3 D CA 0.097 54.089 54.000 -0.013 0.000 0.879 3 D CB 0.173 40.970 40.800 -0.004 0.000 1.179 3 D HN 0.657 nan 8.370 nan 0.000 0.456 4 I N -1.687 118.868 120.570 -0.025 0.000 2.707 4 I HA 0.489 4.653 4.170 -0.009 0.000 0.309 4 I C -0.084 176.027 176.117 -0.010 0.000 1.001 4 I CA -0.726 60.558 61.300 -0.027 0.000 1.129 4 I CB 1.855 39.830 38.000 -0.042 0.000 1.308 4 I HN -0.058 nan 8.210 nan 0.000 0.466 5 T N 4.183 118.730 114.554 -0.011 0.000 2.767 5 T HA 0.511 4.855 4.350 -0.009 0.000 0.284 5 T C -0.220 174.487 174.700 0.012 0.000 0.973 5 T CA -0.392 61.707 62.100 -0.002 0.000 0.996 5 T CB 1.329 70.186 68.868 -0.018 0.000 0.927 5 T HN 0.409 nan 8.240 nan 0.000 0.456 6 V N 4.366 124.312 119.914 0.054 0.000 2.417 6 V HA 0.702 4.817 4.120 -0.009 0.000 0.291 6 V C 0.574 176.746 176.094 0.130 0.000 1.024 6 V CA -0.829 61.540 62.300 0.116 0.000 0.861 6 V CB 1.509 33.438 31.823 0.176 0.000 0.985 6 V HN 1.092 nan 8.190 nan 0.000 0.436 7 T N 0.704 115.298 114.554 0.066 0.000 2.888 7 T HA 0.524 4.869 4.350 -0.009 0.000 0.288 7 T C -0.175 174.538 174.700 0.022 0.000 1.063 7 T CA -0.923 61.109 62.100 -0.113 0.000 1.010 7 T CB 1.854 70.635 68.868 -0.146 0.000 1.214 7 T HN 0.655 nan 8.240 nan 0.000 0.533 8 N N -0.352 118.263 118.700 -0.142 0.000 2.285 8 N HA 0.035 4.769 4.740 -0.009 0.000 0.262 8 N C 0.704 176.182 175.510 -0.054 0.000 1.299 8 N CA -0.855 52.192 53.050 -0.005 0.000 0.930 8 N CB -0.181 38.249 38.487 -0.096 0.000 1.157 8 N HN 0.932 nan 8.380 nan 0.000 0.532 9 W N 0.308 121.423 121.300 -0.308 0.000 2.355 9 W HA 0.060 4.714 4.660 -0.009 0.000 0.309 9 W C 2.154 178.497 176.519 -0.294 0.000 1.206 9 W CA 2.698 59.819 57.345 -0.373 0.000 1.284 9 W CB -0.690 28.330 29.460 -0.734 0.000 1.145 9 W HN 0.668 nan 8.180 nan 0.000 0.502 10 A N -0.017 122.644 122.820 -0.265 0.000 2.119 10 A HA 0.242 4.556 4.320 -0.009 0.000 0.217 10 A C 1.942 179.388 177.584 -0.230 0.000 1.153 10 A CA 1.567 53.424 52.037 -0.301 0.000 0.692 10 A CB -1.255 17.781 19.000 0.060 0.000 0.799 10 A HN 1.030 nan 8.150 nan 0.000 0.458 11 G N 0.382 109.055 108.800 -0.211 0.000 2.184 11 G HA2 -0.379 3.576 3.960 -0.009 0.000 0.264 11 G HA3 -0.379 3.576 3.960 -0.009 0.000 0.264 11 G C 0.752 175.578 174.900 -0.124 0.000 0.975 11 G CA 0.803 45.801 45.100 -0.170 0.000 0.642 11 G HN 0.871 nan 8.290 nan 0.000 0.536 12 N N 0.080 118.731 118.700 -0.081 0.000 2.457 12 N HA 0.035 4.769 4.740 -0.009 0.000 0.180 12 N C 0.639 176.097 175.510 -0.086 0.000 1.050 12 N CA 0.790 53.819 53.050 -0.036 0.000 0.906 12 N CB 0.218 38.743 38.487 0.065 0.000 0.968 12 N HN 0.366 nan 8.380 nan 0.000 0.445 13 I N 1.855 122.321 120.570 -0.174 0.000 2.355 13 I HA 0.209 4.374 4.170 -0.009 0.000 0.288 13 I C -0.379 175.454 176.117 -0.474 0.000 0.999 13 I CA -0.330 60.791 61.300 -0.297 0.000 1.163 13 I CB 1.205 39.002 38.000 -0.339 0.000 1.316 13 I HN -0.177 nan 8.210 nan 0.000 0.454 14 T N 6.698 121.036 114.554 -0.361 0.000 2.743 14 T HA 0.453 4.797 4.350 -0.009 0.000 0.292 14 T C -0.203 174.311 174.700 -0.309 0.000 0.972 14 T CA -0.277 61.630 62.100 -0.321 0.000 0.967 14 T CB 0.313 69.093 68.868 -0.148 0.000 0.926 14 T HN 0.112 nan 8.240 nan 0.000 0.459 15 Y N 1.661 121.954 120.300 -0.012 0.000 2.326 15 Y HA 0.191 4.735 4.550 -0.010 0.000 0.333 15 Y C 2.353 178.250 175.900 -0.004 0.000 1.240 15 Y CA -0.669 57.428 58.100 -0.006 0.000 1.365 15 Y CB 0.381 38.837 38.460 -0.008 0.000 1.289 15 Y HN 0.722 nan 8.280 nan 0.000 0.548 16 T N -1.493 113.168 114.554 0.179 0.000 3.035 16 T HA 0.094 4.438 4.350 -0.009 0.000 0.268 16 T C 0.880 175.628 174.700 0.080 0.000 1.109 16 T CA 0.290 62.446 62.100 0.094 0.000 1.119 16 T CB -0.494 68.418 68.868 0.073 0.000 0.900 16 T HN 0.658 nan 8.240 nan 0.000 0.503 17 A N 1.629 124.510 122.820 0.102 0.000 2.520 17 A HA 0.370 4.685 4.320 -0.009 0.000 0.245 17 A C 1.204 178.817 177.584 0.049 0.000 1.072 17 A CA -0.444 51.627 52.037 0.057 0.000 0.761 17 A CB 0.298 19.317 19.000 0.032 0.000 1.004 17 A HN 0.153 nan 8.150 nan 0.000 0.499 18 K N 0.780 121.196 120.400 0.027 0.000 2.404 18 K HA 0.177 4.491 4.320 -0.009 0.000 0.194 18 K C 0.251 176.854 176.600 0.005 0.000 1.023 18 K CA 0.620 56.916 56.287 0.016 0.000 1.094 18 K CB 0.267 32.773 32.500 0.011 0.000 0.841 18 K HN 0.848 nan 8.250 nan 0.000 0.523 19 E N 0.131 120.334 120.200 0.006 0.000 2.372 19 E HA 0.190 4.534 4.350 -0.009 0.000 0.279 19 E C -1.716 174.881 176.600 -0.004 0.000 0.946 19 E CA -0.711 55.685 56.400 -0.006 0.000 0.769 19 E CB 1.560 31.256 29.700 -0.007 0.000 1.230 19 E HN -0.118 nan 8.360 nan 0.000 0.442 20 L N 5.112 126.329 121.223 -0.010 0.000 2.262 20 L HA 0.400 4.735 4.340 -0.009 0.000 0.288 20 L C -1.181 175.684 176.870 -0.008 0.000 1.035 20 L CA -0.225 54.606 54.840 -0.014 0.000 0.820 20 L CB 0.603 42.655 42.059 -0.012 0.000 1.204 20 L HN 0.495 nan 8.230 nan 0.000 0.424 21 L N 6.111 127.332 121.223 -0.004 0.000 2.360 21 L HA 0.361 4.695 4.340 -0.009 0.000 0.276 21 L C 0.324 177.204 176.870 0.017 0.000 1.121 21 L CA -0.053 54.795 54.840 0.012 0.000 0.845 21 L CB 0.365 42.433 42.059 0.015 0.000 1.143 21 L HN 0.617 nan 8.230 nan 0.000 0.452 22 R N 3.999 124.519 120.500 0.033 0.000 2.585 22 R HA 0.271 4.606 4.340 -0.009 0.000 0.278 22 R C -2.453 173.889 176.300 0.071 0.000 1.663 22 R CA -1.663 54.460 56.100 0.039 0.000 1.592 22 R CB 0.876 31.195 30.300 0.032 0.000 1.200 22 R HN 0.361 nan 8.270 nan 0.000 0.611 23 P HA -0.107 nan 4.420 nan 0.000 0.264 23 P C 0.121 177.454 177.300 0.054 0.000 1.183 23 P CA 0.342 63.483 63.100 0.068 0.000 0.763 23 P CB 0.556 32.252 31.700 -0.005 0.000 0.807 24 H N 0.342 119.422 119.070 0.016 0.000 2.551 24 H HA 0.145 4.696 4.556 -0.007 0.000 0.266 24 H C 0.085 175.419 175.328 0.011 0.000 0.964 24 H CA -0.054 56.002 56.048 0.015 0.000 1.180 24 H CB 0.108 29.881 29.762 0.018 0.000 1.408 24 H HN 0.406 nan 8.280 nan 0.000 0.563 25 S N -0.161 115.266 115.700 -0.455 0.000 2.579 25 S HA 0.273 4.738 4.470 -0.009 0.000 0.272 25 S C 0.534 175.016 174.600 -0.197 0.000 1.141 25 S CA -0.821 57.199 58.200 -0.300 0.000 0.843 25 S CB 1.991 64.971 63.200 -0.365 0.000 1.122 25 S HN 0.079 nan 8.310 nan 0.000 0.468 26 L N 1.536 122.692 121.223 -0.112 0.000 2.046 26 L HA 0.032 4.366 4.340 -0.009 0.000 0.208 26 L C 1.950 178.775 176.870 -0.075 0.000 1.077 26 L CA 2.598 57.394 54.840 -0.073 0.000 0.747 26 L CB -1.118 40.914 42.059 -0.046 0.000 0.896 26 L HN 1.033 nan 8.230 nan 0.000 0.432 27 D N -0.756 119.593 120.400 -0.085 0.000 2.104 27 D HA -0.231 4.404 4.640 -0.009 0.000 0.194 27 D C 2.141 178.396 176.300 -0.074 0.000 0.994 27 D CA 1.601 55.562 54.000 -0.066 0.000 0.830 27 D CB -0.053 40.715 40.800 -0.054 0.000 0.959 27 D HN 0.458 nan 8.370 nan 0.000 0.452 28 A N -0.147 122.587 122.820 -0.142 0.000 1.902 28 A HA -0.110 4.204 4.320 -0.009 0.000 0.217 28 A C 2.152 179.701 177.584 -0.058 0.000 1.181 28 A CA 1.433 53.402 52.037 -0.113 0.000 0.623 28 A CB -0.894 17.963 19.000 -0.239 0.000 0.818 28 A HN 0.412 nan 8.150 nan 0.000 0.443 29 L N -0.114 121.069 121.223 -0.067 0.000 2.017 29 L HA -0.120 4.215 4.340 -0.009 0.000 0.208 29 L C 2.425 179.295 176.870 0.000 0.000 1.073 29 L CA 1.971 56.797 54.840 -0.023 0.000 0.745 29 L CB -0.576 41.469 42.059 -0.024 0.000 0.894 29 L HN 0.347 nan 8.230 nan 0.000 0.432 30 R N -0.388 120.108 120.500 -0.007 0.000 2.081 30 R HA -0.110 4.224 4.340 -0.009 0.000 0.235 30 R C 2.261 178.568 176.300 0.013 0.000 1.131 30 R CA 1.330 57.436 56.100 0.009 0.000 0.960 30 R CB -0.735 29.566 30.300 0.001 0.000 0.856 30 R HN 0.544 nan 8.270 nan 0.000 0.436 31 A N 1.321 124.142 122.820 0.002 0.000 1.898 31 A HA -0.150 4.165 4.320 -0.009 0.000 0.216 31 A C 2.102 179.691 177.584 0.009 0.000 1.181 31 A CA 1.000 53.041 52.037 0.006 0.000 0.620 31 A CB -0.486 18.517 19.000 0.005 0.000 0.819 31 A HN 0.223 nan 8.150 nan 0.000 0.442 32 L N 0.066 121.295 121.223 0.011 0.000 2.012 32 L HA -0.140 4.195 4.340 -0.009 0.000 0.210 32 L C 2.422 179.298 176.870 0.010 0.000 1.073 32 L CA 2.069 56.917 54.840 0.013 0.000 0.748 32 L CB -0.628 41.441 42.059 0.018 0.000 0.891 32 L HN 0.167 nan 8.230 nan 0.000 0.431 33 V N 0.070 120.002 119.914 0.029 0.000 2.261 33 V HA -0.314 3.801 4.120 -0.009 0.000 0.246 33 V C 2.807 178.902 176.094 0.002 0.000 1.047 33 V CA 1.769 64.094 62.300 0.041 0.000 1.015 33 V CB -1.445 30.460 31.823 0.137 0.000 0.642 33 V HN 0.623 nan 8.190 nan 0.000 0.446 34 A N -0.186 122.644 122.820 0.016 0.000 1.940 34 A HA -0.268 4.046 4.320 -0.009 0.000 0.219 34 A C 1.868 179.443 177.584 -0.015 0.000 1.176 34 A CA 2.247 54.286 52.037 0.003 0.000 0.631 34 A CB -0.564 18.442 19.000 0.010 0.000 0.814 34 A HN 0.571 nan 8.150 nan 0.000 0.446 35 D N -0.421 119.972 120.400 -0.013 0.000 2.349 35 D HA 0.125 4.759 4.640 -0.009 0.000 0.215 35 D C 0.030 176.314 176.300 -0.028 0.000 1.016 35 D CA 0.342 54.333 54.000 -0.015 0.000 0.870 35 D CB 0.175 40.972 40.800 -0.005 0.000 0.917 35 D HN 0.252 nan 8.370 nan 0.000 0.524 36 S N -0.089 115.584 115.700 -0.045 0.000 2.489 36 S HA 0.515 4.980 4.470 -0.009 0.000 0.291 36 S C 1.105 175.648 174.600 -0.095 0.000 1.151 36 S CA -0.551 57.612 58.200 -0.063 0.000 1.082 36 S CB 2.125 65.284 63.200 -0.069 0.000 1.019 36 S HN 0.136 nan 8.310 nan 0.000 0.492 37 A N 3.772 126.543 122.820 -0.082 0.000 1.897 37 A HA 0.099 4.414 4.320 -0.009 0.000 0.215 37 A C 0.821 178.324 177.584 -0.135 0.000 1.181 37 A CA 0.943 52.926 52.037 -0.090 0.000 0.620 37 A CB 0.053 19.019 19.000 -0.058 0.000 0.821 37 A HN 0.746 nan 8.150 nan 0.000 0.443 38 R N -1.542 118.875 120.500 -0.138 0.000 2.621 38 R HA 0.611 4.946 4.340 -0.009 0.000 0.284 38 R C -1.977 174.217 176.300 -0.177 0.000 0.998 38 R CA -0.479 55.519 56.100 -0.170 0.000 0.895 38 R CB 2.558 32.801 30.300 -0.094 0.000 1.195 38 R HN 0.045 nan 8.270 nan 0.000 0.450 39 V N 3.040 122.799 119.914 -0.258 0.000 2.760 39 V HA 0.598 4.713 4.120 -0.009 0.000 0.309 39 V C -0.540 175.547 176.094 -0.012 0.000 1.077 39 V CA -0.980 61.222 62.300 -0.164 0.000 0.910 39 V CB 2.211 33.892 31.823 -0.235 0.000 1.008 39 V HN 0.625 nan 8.190 nan 0.000 0.424 40 R N 2.034 122.549 120.500 0.024 0.000 2.837 40 R HA 0.756 5.090 4.340 -0.009 0.000 0.271 40 R C -1.413 174.895 176.300 0.013 0.000 0.993 40 R CA -0.752 55.381 56.100 0.055 0.000 0.931 40 R CB 2.384 32.673 30.300 -0.019 0.000 1.206 40 R HN 0.459 nan 8.270 nan 0.000 0.474 41 V N 2.406 122.325 119.914 0.008 0.000 2.472 41 V HA 0.393 4.507 4.120 -0.009 0.000 0.290 41 V C -0.257 175.785 176.094 -0.086 0.000 1.037 41 V CA -0.913 61.371 62.300 -0.027 0.000 0.908 41 V CB 1.710 33.527 31.823 -0.011 0.000 0.985 41 V HN 0.473 nan 8.190 nan 0.000 0.454 42 L N 4.059 125.222 121.223 -0.100 0.000 2.296 42 L HA 0.807 5.142 4.340 -0.009 0.000 0.286 42 L C 0.628 177.472 176.870 -0.044 0.000 1.023 42 L CA 0.640 55.415 54.840 -0.110 0.000 0.812 42 L CB 1.227 43.195 42.059 -0.152 0.000 1.223 42 L HN 0.708 nan 8.230 nan 0.000 0.421 43 G N 1.474 110.262 108.800 -0.020 0.000 3.286 43 G HA2 0.147 4.101 3.960 -0.009 0.000 0.173 43 G HA3 0.147 4.101 3.960 -0.009 0.000 0.173 43 G C 0.478 175.397 174.900 0.032 0.000 1.704 43 G CA 0.412 45.517 45.100 0.008 0.000 1.041 43 G HN 0.683 nan 8.290 nan 0.000 0.561 44 S N -0.759 114.977 115.700 0.060 0.000 2.605 44 S HA 0.363 4.828 4.470 -0.009 0.000 0.217 44 S C 1.620 176.275 174.600 0.091 0.000 0.958 44 S CA 0.883 59.139 58.200 0.094 0.000 0.919 44 S CB 0.270 63.547 63.200 0.129 0.000 0.780 44 S HN 2.084 nan 8.310 nan 0.000 0.507 45 G N 1.763 110.603 108.800 0.067 0.000 2.168 45 G HA2 -0.283 3.672 3.960 -0.009 0.000 0.257 45 G HA3 -0.283 3.672 3.960 -0.009 0.000 0.257 45 G C 0.271 175.138 174.900 -0.055 0.000 0.997 45 G CA 0.453 45.584 45.100 0.052 0.000 0.708 45 G HN 0.662 nan 8.290 nan 0.000 0.520 46 H N 0.764 119.789 119.070 -0.075 0.000 2.645 46 H HA 0.255 4.806 4.556 -0.009 0.000 0.300 46 H C 1.511 176.765 175.328 -0.123 0.000 1.065 46 H CA 0.885 56.821 56.048 -0.186 0.000 1.173 46 H CB -0.015 29.598 29.762 -0.249 0.000 1.383 46 H HN 0.657 nan 8.280 nan 0.000 0.566 47 S N -0.723 114.957 115.700 -0.034 0.000 2.687 47 S HA 0.284 4.749 4.470 -0.009 0.000 0.283 47 S C 0.176 174.668 174.600 -0.181 0.000 1.170 47 S CA -0.683 57.554 58.200 0.061 0.000 1.008 47 S CB 0.963 64.224 63.200 0.103 0.000 1.026 47 S HN 0.128 nan 8.310 nan 0.000 0.541 48 F N 1.049 121.094 119.950 0.159 0.000 2.724 48 F HA 0.334 4.856 4.527 -0.008 0.000 0.310 48 F C 0.484 176.351 175.800 0.112 0.000 1.107 48 F CA -0.632 57.456 58.000 0.147 0.000 1.218 48 F CB 0.098 39.208 39.000 0.184 0.000 1.042 48 F HN 0.737 nan 8.300 nan 0.000 0.540 49 N N -1.349 117.478 118.700 0.213 0.000 3.439 49 N HA 0.185 4.920 4.740 -0.009 0.000 0.343 49 N C -0.115 175.470 175.510 0.124 0.000 1.597 49 N CA -0.788 52.362 53.050 0.168 0.000 0.733 49 N CB 0.282 38.899 38.487 0.218 0.000 1.973 49 N HN -0.042 nan 8.380 nan 0.000 0.646 50 E N -0.341 119.962 120.200 0.171 0.000 2.368 50 E HA 0.196 4.540 4.350 -0.009 0.000 0.188 50 E C 0.734 177.375 176.600 0.068 0.000 1.061 50 E CA -0.193 56.315 56.400 0.181 0.000 0.933 50 E CB -0.216 29.610 29.700 0.210 0.000 1.091 50 E HN 0.478 nan 8.360 nan 0.000 0.458 51 I N 0.767 121.172 120.570 -0.275 0.000 2.335 51 I HA -0.260 3.905 4.170 -0.009 0.000 0.251 51 I C 1.968 177.945 176.117 -0.234 0.000 1.129 51 I CA 1.080 61.950 61.300 -0.717 0.000 1.402 51 I CB 0.181 37.574 38.000 -1.011 0.000 1.069 51 I HN 0.092 nan 8.210 nan 0.000 0.424 52 A N -0.343 122.434 122.820 -0.072 0.000 2.275 52 A HA 0.013 4.328 4.320 -0.009 0.000 0.212 52 A C 0.874 178.355 177.584 -0.172 0.000 1.201 52 A CA -0.065 51.886 52.037 -0.143 0.000 0.843 52 A CB -0.325 18.521 19.000 -0.256 0.000 0.873 52 A HN 0.440 nan 8.150 nan 0.000 0.492 53 E N 1.597 121.831 120.200 0.058 0.000 2.217 53 E HA 0.183 4.527 4.350 -0.009 0.000 0.279 53 E C -1.887 174.751 176.600 0.062 0.000 1.068 53 E CA -2.258 54.230 56.400 0.148 0.000 0.882 53 E CB 0.890 30.751 29.700 0.269 0.000 1.039 53 E HN 0.199 nan 8.360 nan 0.000 0.418 54 P HA 0.182 nan 4.420 nan 0.000 0.255 54 P C 0.100 177.418 177.300 0.029 0.000 1.248 54 P CA 0.503 63.609 63.100 0.011 0.000 0.807 54 P CB 0.168 31.852 31.700 -0.026 0.000 1.150 55 G N 0.867 109.699 108.800 0.054 0.000 2.758 55 G HA2 -0.160 3.794 3.960 -0.009 0.000 0.686 55 G HA3 -0.160 3.794 3.960 -0.009 0.000 0.686 55 G C -1.018 173.903 174.900 0.035 0.000 1.389 55 G CA -0.795 44.335 45.100 0.049 0.000 0.845 55 G HN 0.149 nan 8.290 nan 0.000 0.572 56 D N 0.874 121.294 120.400 0.032 0.000 2.458 56 D HA 0.406 5.040 4.640 -0.009 0.000 0.243 56 D C 1.554 177.862 176.300 0.013 0.000 1.146 56 D CA 2.112 56.126 54.000 0.024 0.000 0.877 56 D CB 0.737 41.550 40.800 0.021 0.000 1.176 56 D HN 1.915 nan 8.370 nan 0.000 0.461 57 G N 2.051 110.856 108.800 0.009 0.000 2.234 57 G HA2 -0.222 3.733 3.960 -0.009 0.000 0.260 57 G HA3 -0.222 3.733 3.960 -0.009 0.000 0.260 57 G C 0.762 175.657 174.900 -0.008 0.000 0.987 57 G CA 0.188 45.288 45.100 0.001 0.000 0.625 57 G HN 0.813 nan 8.290 nan 0.000 0.532 58 G N -0.592 108.204 108.800 -0.007 0.000 2.503 58 G HA2 0.561 4.515 3.960 -0.009 0.000 0.257 58 G HA3 0.561 4.515 3.960 -0.009 0.000 0.257 58 G C 0.054 174.940 174.900 -0.024 0.000 1.214 58 G CA 0.267 45.353 45.100 -0.022 0.000 0.839 58 G HN 0.909 nan 8.290 nan 0.000 0.559 59 V N 2.164 122.055 119.914 -0.039 0.000 2.432 59 V HA 0.247 4.362 4.120 -0.009 0.000 0.275 59 V C -0.003 176.066 176.094 -0.042 0.000 1.043 59 V CA -0.529 61.750 62.300 -0.034 0.000 0.925 59 V CB 1.254 33.056 31.823 -0.034 0.000 0.985 59 V HN 0.571 nan 8.190 nan 0.000 0.466 60 L N 7.799 128.993 121.223 -0.049 0.000 2.280 60 L HA 0.675 5.010 4.340 -0.009 0.000 0.287 60 L C -0.547 176.289 176.870 -0.056 0.000 1.023 60 L CA -0.066 54.724 54.840 -0.084 0.000 0.819 60 L CB 1.118 43.090 42.059 -0.144 0.000 1.212 60 L HN 0.637 nan 8.230 nan 0.000 0.420 61 L N 2.643 123.842 121.223 -0.040 0.000 2.323 61 L HA 0.948 5.283 4.340 -0.009 0.000 0.265 61 L C -0.279 176.577 176.870 -0.023 0.000 1.012 61 L CA -0.444 54.386 54.840 -0.017 0.000 0.820 61 L CB 1.806 43.871 42.059 0.010 0.000 1.334 61 L HN 0.484 nan 8.230 nan 0.000 0.427 62 S N 0.431 116.124 115.700 -0.012 0.000 2.599 62 S HA 0.649 5.114 4.470 -0.009 0.000 0.287 62 S C 0.256 174.855 174.600 -0.002 0.000 1.105 62 S CA -0.768 57.425 58.200 -0.012 0.000 0.899 62 S CB 1.274 64.468 63.200 -0.010 0.000 1.100 62 S HN 0.785 nan 8.310 nan 0.000 0.482 63 L N 2.695 123.915 121.223 -0.005 0.000 2.611 63 L HA 0.288 4.623 4.340 -0.009 0.000 0.229 63 L C 2.252 179.124 176.870 0.003 0.000 1.137 63 L CA 0.325 55.163 54.840 -0.004 0.000 0.901 63 L CB -0.502 41.550 42.059 -0.012 0.000 1.098 63 L HN 0.824 nan 8.230 nan 0.000 0.456 64 A N 0.527 123.351 122.820 0.007 0.000 2.125 64 A HA -0.057 4.258 4.320 -0.009 0.000 0.219 64 A C 2.219 179.815 177.584 0.019 0.000 1.156 64 A CA 1.496 53.540 52.037 0.011 0.000 0.671 64 A CB -0.571 18.436 19.000 0.011 0.000 0.794 64 A HN 0.436 nan 8.150 nan 0.000 0.459 65 G N -1.057 107.759 108.800 0.027 0.000 2.777 65 G HA2 0.335 4.290 3.960 -0.009 0.000 0.211 65 G HA3 0.335 4.290 3.960 -0.009 0.000 0.211 65 G C 0.515 175.442 174.900 0.045 0.000 1.149 65 G CA -0.160 44.968 45.100 0.046 0.000 0.785 65 G HN 0.390 nan 8.290 nan 0.000 0.536 66 L N 0.952 122.188 121.223 0.022 0.000 2.357 66 L HA 0.354 4.688 4.340 -0.009 0.000 0.273 66 L C -2.065 174.811 176.870 0.010 0.000 1.080 66 L CA -2.048 52.799 54.840 0.011 0.000 0.803 66 L CB 1.267 43.322 42.059 -0.006 0.000 1.174 66 L HN -0.135 nan 8.230 nan 0.000 0.443 67 P HA 0.017 nan 4.420 nan 0.000 0.265 67 P C -0.954 176.346 177.300 0.001 0.000 1.193 67 P CA 0.092 63.196 63.100 0.008 0.000 0.765 67 P CB 0.475 32.179 31.700 0.007 0.000 0.823 68 S N 1.841 117.541 115.700 0.001 0.000 2.404 68 S HA 0.326 4.790 4.470 -0.009 0.000 0.309 68 S C -0.023 174.574 174.600 -0.005 0.000 1.076 68 S CA -0.566 57.631 58.200 -0.005 0.000 1.095 68 S CB 0.160 63.358 63.200 -0.003 0.000 0.972 68 S HN 0.122 nan 8.310 nan 0.000 0.484 69 V N 4.072 123.980 119.914 -0.010 0.000 2.483 69 V HA 0.532 4.647 4.120 -0.009 0.000 0.295 69 V C -0.260 175.827 176.094 -0.012 0.000 1.035 69 V CA -0.674 61.622 62.300 -0.008 0.000 0.896 69 V CB 1.828 33.646 31.823 -0.008 0.000 0.986 69 V HN 0.571 nan 8.190 nan 0.000 0.447 70 V N 3.217 123.127 119.914 -0.006 0.000 2.398 70 V HA 0.392 4.507 4.120 -0.009 0.000 0.282 70 V C -0.950 175.144 176.094 -0.001 0.000 1.014 70 V CA -0.396 61.900 62.300 -0.006 0.000 0.838 70 V CB 1.577 33.400 31.823 -0.001 0.000 1.018 70 V HN 0.948 nan 8.190 nan 0.000 0.432 71 D N 4.295 124.693 120.400 -0.004 0.000 2.464 71 D HA 0.401 5.035 4.640 -0.009 0.000 0.243 71 D C -0.504 175.795 176.300 -0.002 0.000 1.104 71 D CA -0.155 53.844 54.000 -0.002 0.000 0.883 71 D CB 1.732 42.529 40.800 -0.005 0.000 1.050 71 D HN 0.250 nan 8.370 nan 0.000 0.524 72 V N 3.683 123.597 119.914 0.001 0.000 2.498 72 V HA 0.239 4.353 4.120 -0.009 0.000 0.279 72 V C 0.332 176.424 176.094 -0.004 0.000 1.048 72 V CA -0.544 61.756 62.300 0.000 0.000 0.967 72 V CB 1.491 33.316 31.823 0.004 0.000 0.988 72 V HN 0.499 nan 8.190 nan 0.000 0.473 73 D N 3.505 123.900 120.400 -0.007 0.000 2.454 73 D HA 0.169 4.804 4.640 -0.009 0.000 0.225 73 D C 1.287 177.580 176.300 -0.011 0.000 1.081 73 D CA 0.023 54.017 54.000 -0.009 0.000 0.864 73 D CB 1.886 42.680 40.800 -0.011 0.000 1.040 73 D HN 0.708 nan 8.370 nan 0.000 0.517 74 T N 1.158 115.705 114.554 -0.011 0.000 2.777 74 T HA -0.108 4.236 4.350 -0.009 0.000 0.266 74 T C 1.864 176.554 174.700 -0.016 0.000 1.040 74 T CA 1.059 63.150 62.100 -0.014 0.000 1.141 74 T CB -0.092 68.768 68.868 -0.014 0.000 0.868 74 T HN 0.265 nan 8.240 nan 0.000 0.444 75 A N 1.827 124.639 122.820 -0.014 0.000 1.898 75 A HA 0.436 4.750 4.320 -0.009 0.000 0.216 75 A C 2.697 180.271 177.584 -0.016 0.000 1.181 75 A CA 1.623 53.651 52.037 -0.014 0.000 0.620 75 A CB -1.213 17.780 19.000 -0.012 0.000 0.819 75 A HN 0.778 nan 8.150 nan 0.000 0.442 76 A N -1.501 121.310 122.820 -0.016 0.000 2.169 76 A HA 0.217 4.532 4.320 -0.009 0.000 0.212 76 A C 1.141 178.714 177.584 -0.019 0.000 1.153 76 A CA 0.557 52.584 52.037 -0.018 0.000 0.756 76 A CB -0.301 18.688 19.000 -0.018 0.000 0.813 76 A HN 0.493 nan 8.150 nan 0.000 0.471 77 R N -0.020 120.469 120.500 -0.019 0.000 3.333 77 R HA -0.140 4.195 4.340 -0.009 0.000 0.256 77 R C -0.277 176.012 176.300 -0.018 0.000 1.010 77 R CA 0.873 56.960 56.100 -0.021 0.000 0.680 77 R CB -2.721 27.564 30.300 -0.025 0.000 1.102 77 R HN 0.739 nan 8.270 nan 0.000 0.440 78 T N -4.008 110.537 114.554 -0.014 0.000 2.916 78 T HA 0.717 5.061 4.350 -0.009 0.000 0.292 78 T C -0.416 174.281 174.700 -0.005 0.000 1.064 78 T CA -0.750 61.344 62.100 -0.009 0.000 1.011 78 T CB 2.749 71.610 68.868 -0.011 0.000 1.152 78 T HN 0.076 nan 8.240 nan 0.000 0.510 79 V N 1.069 120.983 119.914 0.000 0.000 2.623 79 V HA 0.680 4.794 4.120 -0.009 0.000 0.304 79 V C -0.666 175.427 176.094 -0.003 0.000 1.054 79 V CA -1.019 61.281 62.300 0.001 0.000 0.882 79 V CB 1.744 33.572 31.823 0.008 0.000 1.002 79 V HN 1.094 nan 8.190 nan 0.000 0.424 80 R N 4.910 125.406 120.500 -0.007 0.000 2.229 80 R HA 0.761 5.096 4.340 -0.009 0.000 0.328 80 R C -1.638 174.652 176.300 -0.017 0.000 1.009 80 R CA -0.214 55.880 56.100 -0.010 0.000 0.864 80 R CB 1.662 31.956 30.300 -0.010 0.000 1.085 80 R HN 0.621 nan 8.270 nan 0.000 0.453 81 V N 4.124 124.022 119.914 -0.026 0.000 2.735 81 V HA 0.652 4.767 4.120 -0.009 0.000 0.310 81 V C 0.005 176.073 176.094 -0.043 0.000 1.061 81 V CA -0.451 61.824 62.300 -0.041 0.000 0.913 81 V CB 1.907 33.688 31.823 -0.069 0.000 1.005 81 V HN 0.962 nan 8.190 nan 0.000 0.428 82 G N 3.315 112.090 108.800 -0.040 0.000 2.544 82 G HA2 0.387 4.341 3.960 -0.009 0.000 0.242 82 G HA3 0.387 4.341 3.960 -0.009 0.000 0.242 82 G C 1.047 175.917 174.900 -0.050 0.000 1.247 82 G CA 0.154 45.231 45.100 -0.037 0.000 0.840 82 G HN 1.431 nan 8.290 nan 0.000 0.578 83 G N 0.282 109.056 108.800 -0.044 0.000 2.509 83 G HA2 0.069 4.024 3.960 -0.009 0.000 0.218 83 G HA3 0.069 4.024 3.960 -0.009 0.000 0.218 83 G C 1.450 176.323 174.900 -0.044 0.000 1.124 83 G CA 1.126 46.197 45.100 -0.048 0.000 0.776 83 G HN 0.918 nan 8.290 nan 0.000 0.547 84 G N -0.186 108.592 108.800 -0.035 0.000 2.777 84 G HA2 0.242 4.196 3.960 -0.009 0.000 0.211 84 G HA3 0.242 4.196 3.960 -0.009 0.000 0.211 84 G C 0.547 175.430 174.900 -0.028 0.000 1.149 84 G CA -0.052 45.034 45.100 -0.024 0.000 0.785 84 G HN 0.253 nan 8.290 nan 0.000 0.536 85 V N 1.374 121.259 119.914 -0.048 0.000 2.694 85 V HA 0.106 4.221 4.120 -0.009 0.000 0.306 85 V C 0.681 176.725 176.094 -0.083 0.000 1.054 85 V CA 0.172 62.437 62.300 -0.058 0.000 1.161 85 V CB 0.523 32.300 31.823 -0.077 0.000 0.916 85 V HN 0.317 nan 8.190 nan 0.000 0.490 86 R N 2.729 123.207 120.500 -0.036 0.000 2.573 86 R HA 0.321 4.655 4.340 -0.009 0.000 0.272 86 R C 0.416 176.703 176.300 -0.021 0.000 1.009 86 R CA -0.581 55.517 56.100 -0.005 0.000 1.059 86 R CB 0.719 31.068 30.300 0.080 0.000 1.112 86 R HN 0.642 nan 8.270 nan 0.000 0.517 87 Y N 0.857 121.161 120.300 0.006 0.000 2.274 87 Y HA -0.248 4.297 4.550 -0.009 0.000 0.290 87 Y C 2.322 178.226 175.900 0.007 0.000 1.145 87 Y CA 1.812 59.917 58.100 0.009 0.000 1.203 87 Y CB -0.199 38.253 38.460 -0.014 0.000 0.984 87 Y HN 0.815 nan 8.280 nan 0.000 0.533 88 A N 0.127 123.025 122.820 0.128 0.000 1.873 88 A HA -0.313 4.002 4.320 -0.009 0.000 0.218 88 A C 2.086 179.726 177.584 0.093 0.000 1.193 88 A CA 2.256 54.343 52.037 0.083 0.000 0.629 88 A CB -0.681 18.406 19.000 0.144 0.000 0.826 88 A HN 0.435 nan 8.150 nan 0.000 0.447 89 E N -0.554 119.697 120.200 0.086 0.000 2.072 89 E HA -0.116 4.228 4.350 -0.009 0.000 0.190 89 E C 1.805 178.434 176.600 0.048 0.000 0.982 89 E CA 1.072 57.508 56.400 0.060 0.000 0.803 89 E CB -0.417 29.309 29.700 0.043 0.000 0.755 89 E HN 0.377 nan 8.360 nan 0.000 0.453 90 L N 0.583 121.824 121.223 0.029 0.000 2.013 90 L HA -0.169 4.166 4.340 -0.009 0.000 0.212 90 L C 2.212 179.151 176.870 0.115 0.000 1.073 90 L CA 2.582 57.442 54.840 0.033 0.000 0.753 90 L CB -1.143 40.885 42.059 -0.051 0.000 0.890 90 L HN 0.204 nan 8.230 nan 0.000 0.432 91 A N -0.559 122.348 122.820 0.146 0.000 1.873 91 A HA -0.235 4.080 4.320 -0.009 0.000 0.215 91 A C 2.534 180.084 177.584 -0.056 0.000 1.186 91 A CA 1.701 53.817 52.037 0.132 0.000 0.616 91 A CB -0.694 18.287 19.000 -0.032 0.000 0.823 91 A HN 0.537 nan 8.150 nan 0.000 0.442 92 R N -0.282 120.210 120.500 -0.013 0.000 2.094 92 R HA -0.145 4.189 4.340 -0.009 0.000 0.239 92 R C 1.954 178.285 176.300 0.051 0.000 1.137 92 R CA 2.181 58.291 56.100 0.015 0.000 0.943 92 R CB -0.500 29.840 30.300 0.066 0.000 0.850 92 R HN 0.309 nan 8.270 nan 0.000 0.433 93 V N 0.901 120.851 119.914 0.060 0.000 2.307 93 V HA -0.224 3.891 4.120 -0.009 0.000 0.245 93 V C 2.475 178.612 176.094 0.072 0.000 1.045 93 V CA 1.730 64.064 62.300 0.058 0.000 1.024 93 V CB -0.409 31.440 31.823 0.042 0.000 0.651 93 V HN 0.498 nan 8.190 nan 0.000 0.449 94 V N -0.862 119.118 119.914 0.110 0.000 2.407 94 V HA -0.305 3.810 4.120 -0.009 0.000 0.248 94 V C 2.381 178.569 176.094 0.155 0.000 1.055 94 V CA 2.608 64.980 62.300 0.120 0.000 1.049 94 V CB -1.220 30.683 31.823 0.132 0.000 0.662 94 V HN 0.649 nan 8.190 nan 0.000 0.455 95 H N 1.629 120.774 119.070 0.125 0.000 2.352 95 H HA 0.007 4.557 4.556 -0.009 0.000 0.299 95 H C 2.207 177.572 175.328 0.062 0.000 1.097 95 H CA 2.190 58.306 56.048 0.113 0.000 1.311 95 H CB -0.496 29.124 29.762 -0.237 0.000 1.377 95 H HN 0.528 nan 8.280 nan 0.000 0.504 96 A N 0.562 123.387 122.820 0.009 0.000 2.070 96 A HA -0.120 4.195 4.320 -0.009 0.000 0.220 96 A C 2.025 179.574 177.584 -0.057 0.000 1.159 96 A CA 1.290 53.306 52.037 -0.035 0.000 0.656 96 A CB -0.185 18.830 19.000 0.025 0.000 0.800 96 A HN 0.336 nan 8.150 nan 0.000 0.453 97 R N -1.257 119.220 120.500 -0.038 0.000 2.317 97 R HA 0.161 4.496 4.340 -0.009 0.000 0.208 97 R C 1.149 177.417 176.300 -0.055 0.000 0.914 97 R CA 0.683 56.763 56.100 -0.034 0.000 1.060 97 R CB -0.438 29.855 30.300 -0.011 0.000 1.015 97 R HN 0.791 nan 8.270 nan 0.000 0.498 98 G N 1.201 109.941 108.800 -0.101 0.000 2.136 98 G HA2 -0.253 3.701 3.960 -0.009 0.000 0.242 98 G HA3 -0.253 3.701 3.960 -0.009 0.000 0.242 98 G C -0.001 174.861 174.900 -0.063 0.000 0.989 98 G CA 0.156 45.196 45.100 -0.100 0.000 0.682 98 G HN 0.225 nan 8.290 nan 0.000 0.522 99 L N -0.981 120.212 121.223 -0.049 0.000 2.257 99 L HA 0.997 5.331 4.340 -0.009 0.000 0.257 99 L C 0.362 177.115 176.870 -0.195 0.000 1.033 99 L CA -0.726 54.060 54.840 -0.088 0.000 0.835 99 L CB 2.159 44.180 42.059 -0.063 0.000 1.398 99 L HN 0.639 nan 8.230 nan 0.000 0.429 100 A N 0.409 122.972 122.820 -0.428 0.000 2.608 100 A HA 0.725 5.040 4.320 -0.009 0.000 0.292 100 A C -1.617 175.544 177.584 -0.704 0.000 1.066 100 A CA -0.537 50.784 52.037 -1.193 0.000 0.676 100 A CB 1.193 19.122 19.000 -1.785 0.000 1.277 100 A HN 0.507 nan 8.150 nan 0.000 0.413 101 L N 1.517 122.255 121.223 -0.809 0.000 2.379 101 L HA 0.457 4.792 4.340 -0.009 0.000 0.269 101 L C -1.220 175.671 176.870 0.035 0.000 1.084 101 L CA -1.863 52.893 54.840 -0.141 0.000 0.802 101 L CB 1.424 43.583 42.059 0.166 0.000 1.175 101 L HN 0.623 nan 8.230 nan 0.000 0.448 102 P HA -0.040 nan 4.420 nan 0.000 0.229 102 P C -0.296 177.223 177.300 0.366 0.000 1.160 102 P CA 0.868 64.124 63.100 0.260 0.000 0.777 102 P CB 0.429 32.222 31.700 0.154 0.000 0.814 103 N N -1.613 117.247 118.700 0.267 0.000 2.823 103 N HA 0.481 5.216 4.740 -0.009 0.000 0.251 103 N C -1.442 174.151 175.510 0.138 0.000 1.392 103 N CA -0.632 52.551 53.050 0.221 0.000 0.864 103 N CB 1.534 40.078 38.487 0.095 0.000 1.481 103 N HN -0.281 nan 8.380 nan 0.000 0.508 104 M N 1.273 120.899 119.600 0.044 0.000 2.575 104 M HA 0.550 5.024 4.480 -0.009 0.000 0.284 104 M C -0.449 175.714 176.300 -0.229 0.000 1.253 104 M CA -0.589 54.625 55.300 -0.144 0.000 0.861 104 M CB 2.004 34.562 32.600 -0.070 0.000 1.733 104 M HN 0.620 nan 8.290 nan 0.000 0.462 105 A N 0.443 123.042 122.820 -0.369 0.000 2.262 105 A HA 0.369 4.684 4.320 -0.009 0.000 0.273 105 A C 1.156 178.531 177.584 -0.349 0.000 1.202 105 A CA 0.357 52.179 52.037 -0.358 0.000 0.811 105 A CB -0.132 18.645 19.000 -0.372 0.000 1.159 105 A HN 0.998 nan 8.150 nan 0.000 0.505 106 S N -1.272 114.196 115.700 -0.386 0.000 2.423 106 S HA 0.045 4.510 4.470 -0.009 0.000 0.231 106 S C 0.394 174.933 174.600 -0.102 0.000 1.014 106 S CA 1.222 59.167 58.200 -0.426 0.000 0.965 106 S CB -0.482 62.505 63.200 -0.355 0.000 0.785 106 S HN 0.876 nan 8.310 nan 0.000 0.495 107 L N 1.918 123.050 121.223 -0.153 0.000 2.439 107 L HA 0.489 4.823 4.340 -0.009 0.000 0.270 107 L C -2.311 174.395 176.870 -0.273 0.000 0.972 107 L CA -1.839 52.921 54.840 -0.133 0.000 0.836 107 L CB 2.237 44.146 42.059 -0.250 0.000 1.255 107 L HN -0.191 nan 8.230 nan 0.000 0.404 108 P HA -0.039 nan 4.420 nan 0.000 0.236 108 P C 0.064 177.207 177.300 -0.261 0.000 1.177 108 P CA 0.707 63.629 63.100 -0.296 0.000 0.773 108 P CB 0.075 31.577 31.700 -0.331 0.000 0.878 109 H N 0.718 119.727 119.070 -0.101 0.000 2.768 109 H HA 0.373 4.924 4.556 -0.009 0.000 0.228 109 H C 0.484 175.724 175.328 -0.146 0.000 1.812 109 H CA -0.075 55.915 56.048 -0.096 0.000 1.273 109 H CB -0.814 28.891 29.762 -0.096 0.000 1.631 109 H HN 0.239 nan 8.280 nan 0.000 0.526 110 I N 0.689 121.255 120.570 -0.007 0.000 2.686 110 I HA 0.112 4.276 4.170 -0.009 0.000 0.295 110 I C 0.405 176.589 176.117 0.111 0.000 1.114 110 I CA -1.009 60.283 61.300 -0.013 0.000 1.038 110 I CB 2.237 40.145 38.000 -0.153 0.000 1.238 110 I HN 0.126 nan 8.210 nan 0.000 0.420 111 S N 3.783 119.529 115.700 0.077 0.000 2.579 111 S HA 0.228 4.693 4.470 -0.009 0.000 0.275 111 S C 0.920 175.541 174.600 0.035 0.000 1.345 111 S CA -0.681 57.539 58.200 0.033 0.000 1.031 111 S CB 1.566 64.778 63.200 0.020 0.000 0.892 111 S HN 0.399 nan 8.310 nan 0.000 0.529 112 V N 2.767 122.612 119.914 -0.115 0.000 2.270 112 V HA -0.100 4.014 4.120 -0.009 0.000 0.245 112 V C 2.985 179.077 176.094 -0.004 0.000 1.043 112 V CA 2.204 64.395 62.300 -0.181 0.000 1.014 112 V CB -1.777 29.819 31.823 -0.378 0.000 0.645 112 V HN 1.044 nan 8.190 nan 0.000 0.447 113 A N 0.607 123.412 122.820 -0.026 0.000 1.902 113 A HA -0.109 4.206 4.320 -0.009 0.000 0.217 113 A C 2.400 179.994 177.584 0.016 0.000 1.181 113 A CA 2.047 54.078 52.037 -0.010 0.000 0.623 113 A CB -1.270 17.711 19.000 -0.032 0.000 0.818 113 A HN 0.540 nan 8.150 nan 0.000 0.443 114 G N -0.925 107.894 108.800 0.030 0.000 2.408 114 G HA2 -0.106 3.848 3.960 -0.009 0.000 0.217 114 G HA3 -0.106 3.848 3.960 -0.009 0.000 0.217 114 G C 1.811 176.765 174.900 0.090 0.000 1.150 114 G CA 1.276 46.405 45.100 0.048 0.000 0.776 114 G HN 0.486 nan 8.290 nan 0.000 0.542 115 S N 0.131 115.907 115.700 0.127 0.000 2.348 115 S HA -0.152 4.313 4.470 -0.009 0.000 0.221 115 S C 2.648 177.332 174.600 0.141 0.000 1.033 115 S CA 1.684 59.982 58.200 0.163 0.000 1.010 115 S CB -0.448 62.914 63.200 0.270 0.000 0.891 115 S HN 0.525 nan 8.310 nan 0.000 0.442 116 V N 0.326 120.314 119.914 0.123 0.000 2.809 116 V HA 0.157 4.271 4.120 -0.009 0.000 0.256 116 V C 2.147 178.263 176.094 0.036 0.000 1.080 116 V CA 1.178 63.526 62.300 0.081 0.000 1.102 116 V CB -1.321 30.543 31.823 0.068 0.000 0.705 116 V HN 0.385 nan 8.190 nan 0.000 0.475 117 A N 1.712 124.549 122.820 0.028 0.000 2.019 117 A HA -0.116 4.198 4.320 -0.009 0.000 0.219 117 A C 2.330 179.914 177.584 0.000 0.000 1.164 117 A CA 2.439 54.467 52.037 -0.014 0.000 0.644 117 A CB -0.842 18.148 19.000 -0.017 0.000 0.805 117 A HN 0.855 nan 8.150 nan 0.000 0.449 118 T N -6.196 108.418 114.554 0.100 0.000 3.003 118 T HA 0.456 4.801 4.350 -0.009 0.000 0.261 118 T C 1.119 175.925 174.700 0.178 0.000 1.003 118 T CA 1.011 63.244 62.100 0.221 0.000 0.917 118 T CB 0.520 69.607 68.868 0.365 0.000 1.084 118 T HN 1.691 nan 8.240 nan 0.000 0.522 119 G N 1.473 110.327 108.800 0.090 0.000 2.131 119 G HA2 -0.195 3.759 3.960 -0.009 0.000 0.201 119 G HA3 -0.195 3.759 3.960 -0.009 0.000 0.201 119 G C 0.037 174.949 174.900 0.020 0.000 1.000 119 G CA -0.221 44.899 45.100 0.033 0.000 0.680 119 G HN 0.659 nan 8.290 nan 0.000 0.514 120 T N 1.010 115.621 114.554 0.094 0.000 2.946 120 T HA 0.490 4.834 4.350 -0.009 0.000 0.311 120 T C 0.317 175.059 174.700 0.070 0.000 1.063 120 T CA 1.335 63.514 62.100 0.132 0.000 1.139 120 T CB 0.474 69.398 68.868 0.093 0.000 0.994 120 T HN 1.109 nan 8.240 nan 0.000 0.547 121 H N -0.948 118.134 119.070 0.021 0.000 2.990 121 H HA 0.714 5.265 4.556 -0.009 0.000 0.336 121 H C 0.149 175.434 175.328 -0.072 0.000 1.306 121 H CA -0.994 55.037 56.048 -0.028 0.000 1.118 121 H CB 0.787 30.540 29.762 -0.015 0.000 1.856 121 H HN 0.664 nan 8.280 nan 0.000 0.538 122 G N -0.394 108.401 108.800 -0.008 0.000 3.134 122 G HA2 0.483 4.437 3.960 -0.009 0.000 0.158 122 G HA3 0.483 4.437 3.960 -0.009 0.000 0.158 122 G C -0.731 174.238 174.900 0.115 0.000 1.334 122 G CA -0.255 44.819 45.100 -0.043 0.000 1.001 122 G HN 0.676 nan 8.290 nan 0.000 0.600 123 S N -2.236 113.473 115.700 0.015 0.000 2.671 123 S HA 0.748 5.213 4.470 -0.009 0.000 0.299 123 S C -0.361 174.176 174.600 -0.106 0.000 1.116 123 S CA 0.403 58.590 58.200 -0.021 0.000 0.912 123 S CB 1.435 64.614 63.200 -0.035 0.000 1.130 123 S HN 2.159 nan 8.310 nan 0.000 0.501 124 G N 0.226 108.942 108.800 -0.141 0.000 3.101 124 G HA2 -0.024 3.930 3.960 -0.009 0.000 0.672 124 G HA3 -0.024 3.930 3.960 -0.009 0.000 0.672 124 G C 0.248 175.035 174.900 -0.189 0.000 1.331 124 G CA -0.197 44.770 45.100 -0.220 0.000 0.925 124 G HN 1.519 nan 8.290 nan 0.000 0.596 125 V N 0.403 120.218 119.914 -0.164 0.000 2.626 125 V HA 0.273 4.388 4.120 -0.009 0.000 0.252 125 V C 2.131 178.155 176.094 -0.117 0.000 1.067 125 V CA 2.681 64.906 62.300 -0.124 0.000 1.081 125 V CB -0.355 31.405 31.823 -0.106 0.000 0.686 125 V HN 1.843 nan 8.190 nan 0.000 0.468 126 G N 0.267 108.980 108.800 -0.145 0.000 3.233 126 G HA2 0.151 4.106 3.960 -0.009 0.000 0.234 126 G HA3 0.151 4.106 3.960 -0.009 0.000 0.234 126 G C 0.226 175.046 174.900 -0.133 0.000 1.137 126 G CA -0.358 44.672 45.100 -0.117 0.000 0.763 126 G HN 0.497 nan 8.290 nan 0.000 0.549 127 N N 1.242 119.833 118.700 -0.181 0.000 2.422 127 N HA 0.390 5.124 4.740 -0.009 0.000 0.266 127 N C 0.639 176.104 175.510 -0.075 0.000 1.007 127 N CA -0.183 52.773 53.050 -0.157 0.000 0.941 127 N CB 1.824 40.160 38.487 -0.250 0.000 1.115 127 N HN 0.100 nan 8.380 nan 0.000 0.492 128 G N 0.448 109.229 108.800 -0.032 0.000 2.651 128 G HA2 0.211 4.166 3.960 -0.009 0.000 0.260 128 G HA3 0.211 4.166 3.960 -0.009 0.000 0.260 128 G C 0.411 175.325 174.900 0.024 0.000 1.216 128 G CA -0.423 44.676 45.100 -0.003 0.000 0.913 128 G HN 0.540 nan 8.290 nan 0.000 0.535 129 S N -0.705 115.021 115.700 0.044 0.000 2.587 129 S HA 0.070 4.535 4.470 -0.009 0.000 0.260 129 S C 1.661 176.305 174.600 0.073 0.000 1.353 129 S CA -0.496 57.751 58.200 0.079 0.000 0.995 129 S CB 0.545 63.796 63.200 0.084 0.000 0.912 129 S HN 0.422 nan 8.310 nan 0.000 0.568 130 L N 0.669 121.934 121.223 0.070 0.000 2.079 130 L HA -0.117 4.218 4.340 -0.009 0.000 0.210 130 L C 3.032 179.972 176.870 0.118 0.000 1.081 130 L CA 1.591 56.480 54.840 0.082 0.000 0.752 130 L CB -1.275 40.812 42.059 0.047 0.000 0.896 130 L HN 0.933 nan 8.230 nan 0.000 0.433 131 A N 0.384 123.259 122.820 0.091 0.000 2.019 131 A HA -0.201 4.113 4.320 -0.009 0.000 0.219 131 A C 2.505 180.131 177.584 0.070 0.000 1.164 131 A CA 1.740 53.816 52.037 0.065 0.000 0.644 131 A CB -0.575 18.436 19.000 0.018 0.000 0.805 131 A HN 0.547 nan 8.150 nan 0.000 0.449 132 S N 0.102 115.847 115.700 0.076 0.000 2.442 132 S HA -0.111 4.354 4.470 -0.009 0.000 0.236 132 S C 1.544 176.205 174.600 0.101 0.000 1.007 132 S CA 1.396 59.645 58.200 0.082 0.000 0.965 132 S CB -1.008 62.230 63.200 0.064 0.000 0.773 132 S HN 1.097 nan 8.310 nan 0.000 0.504 133 V N -1.065 118.911 119.914 0.104 0.000 3.608 133 V HA 0.401 4.516 4.120 -0.009 0.000 0.269 133 V C 0.719 176.882 176.094 0.114 0.000 1.245 133 V CA -0.407 61.953 62.300 0.099 0.000 1.138 133 V CB -0.739 31.140 31.823 0.093 0.000 0.841 133 V HN 0.306 nan 8.190 nan 0.000 0.451 134 V N 3.226 123.227 119.914 0.146 0.000 2.521 134 V HA 0.232 4.346 4.120 -0.009 0.000 0.286 134 V C 1.680 177.949 176.094 0.291 0.000 1.034 134 V CA 0.631 63.042 62.300 0.184 0.000 1.045 134 V CB 0.709 32.633 31.823 0.169 0.000 0.974 134 V HN 0.788 nan 8.190 nan 0.000 0.480 135 R N 3.007 123.604 120.500 0.161 0.000 2.335 135 R HA 0.414 4.748 4.340 -0.009 0.000 0.210 135 R C 0.445 176.645 176.300 -0.167 0.000 0.892 135 R CA -0.110 55.970 56.100 -0.034 0.000 1.048 135 R CB 0.981 31.235 30.300 -0.075 0.000 1.067 135 R HN 0.689 nan 8.270 nan 0.000 0.524 136 E N 0.949 121.202 120.200 0.087 0.000 2.375 136 E HA 0.308 4.653 4.350 -0.009 0.000 0.280 136 E C -1.680 175.030 176.600 0.182 0.000 0.972 136 E CA -1.005 55.458 56.400 0.106 0.000 0.782 136 E CB 2.660 32.356 29.700 -0.007 0.000 1.229 136 E HN 0.083 nan 8.360 nan 0.000 0.439 137 V N -0.148 119.880 119.914 0.190 0.000 2.823 137 V HA 0.690 4.804 4.120 -0.009 0.000 0.312 137 V C -0.947 175.168 176.094 0.036 0.000 1.072 137 V CA -0.709 61.642 62.300 0.084 0.000 0.937 137 V CB 1.803 33.652 31.823 0.042 0.000 1.013 137 V HN 0.706 nan 8.190 nan 0.000 0.430 138 E N 3.827 124.028 120.200 0.001 0.000 2.155 138 E HA 0.641 4.985 4.350 -0.009 0.000 0.264 138 E C -1.380 175.196 176.600 -0.039 0.000 0.886 138 E CA -0.473 55.918 56.400 -0.014 0.000 0.752 138 E CB 2.237 31.929 29.700 -0.014 0.000 1.133 138 E HN 0.666 nan 8.360 nan 0.000 0.414 139 L N 2.933 124.126 121.223 -0.050 0.000 2.322 139 L HA 0.398 4.732 4.340 -0.009 0.000 0.281 139 L C -0.505 176.322 176.870 -0.073 0.000 1.014 139 L CA -1.111 53.676 54.840 -0.089 0.000 0.815 139 L CB 1.681 43.672 42.059 -0.114 0.000 1.247 139 L HN 0.287 nan 8.230 nan 0.000 0.421 140 V N 2.392 122.258 119.914 -0.080 0.000 2.389 140 V HA 0.220 4.334 4.120 -0.009 0.000 0.264 140 V C 0.747 176.819 176.094 -0.036 0.000 1.049 140 V CA -0.362 61.917 62.300 -0.034 0.000 0.932 140 V CB 1.041 32.861 31.823 -0.006 0.000 1.011 140 V HN 0.924 nan 8.190 nan 0.000 0.475 141 T N 2.738 117.302 114.554 0.017 0.000 2.852 141 T HA 0.531 4.876 4.350 -0.009 0.000 0.281 141 T C 1.493 176.346 174.700 0.255 0.000 0.993 141 T CA 0.023 62.170 62.100 0.078 0.000 0.933 141 T CB 1.397 70.293 68.868 0.046 0.000 1.187 141 T HN 0.605 nan 8.240 nan 0.000 0.559 142 A N 0.774 123.803 122.820 0.349 0.000 2.024 142 A HA -0.069 4.245 4.320 -0.009 0.000 0.220 142 A C 1.795 179.438 177.584 0.099 0.000 1.164 142 A CA 1.808 53.998 52.037 0.254 0.000 0.643 142 A CB -1.069 18.012 19.000 0.134 0.000 0.806 142 A HN 0.957 nan 8.150 nan 0.000 0.451 143 D N -2.788 117.660 120.400 0.081 0.000 2.328 143 D HA 0.307 4.941 4.640 -0.009 0.000 0.221 143 D C 1.114 177.439 176.300 0.041 0.000 1.072 143 D CA 0.872 54.897 54.000 0.042 0.000 0.850 143 D CB -0.388 40.430 40.800 0.029 0.000 0.922 143 D HN 0.731 nan 8.370 nan 0.000 0.516 144 G N 0.176 109.014 108.800 0.062 0.000 2.195 144 G HA2 -0.271 3.684 3.960 -0.009 0.000 0.246 144 G HA3 -0.271 3.684 3.960 -0.009 0.000 0.246 144 G C 0.399 175.317 174.900 0.031 0.000 0.984 144 G CA 0.330 45.458 45.100 0.047 0.000 0.633 144 G HN 0.830 nan 8.290 nan 0.000 0.525 145 S N -0.038 115.679 115.700 0.029 0.000 2.632 145 S HA 0.688 5.153 4.470 -0.009 0.000 0.271 145 S C 0.145 174.751 174.600 0.009 0.000 1.260 145 S CA 0.443 58.652 58.200 0.015 0.000 1.010 145 S CB 1.896 65.104 63.200 0.013 0.000 0.965 145 S HN 0.504 nan 8.310 nan 0.000 0.534 146 T N 1.972 116.526 114.554 0.000 0.000 2.856 146 T HA 0.501 4.845 4.350 -0.009 0.000 0.292 146 T C -0.522 174.174 174.700 -0.008 0.000 0.980 146 T CA -0.445 61.651 62.100 -0.008 0.000 1.091 146 T CB 0.778 69.639 68.868 -0.010 0.000 0.936 146 T HN 0.550 nan 8.240 nan 0.000 0.503 147 V N 4.187 124.092 119.914 -0.015 0.000 2.540 147 V HA 0.458 4.572 4.120 -0.009 0.000 0.302 147 V C -0.269 175.820 176.094 -0.009 0.000 1.035 147 V CA -0.761 61.533 62.300 -0.011 0.000 0.873 147 V CB 2.008 33.823 31.823 -0.014 0.000 0.992 147 V HN 0.674 nan 8.190 nan 0.000 0.428 148 V N 6.362 126.276 119.914 -0.000 0.000 2.459 148 V HA 0.568 4.683 4.120 -0.009 0.000 0.295 148 V C -0.298 175.811 176.094 0.025 0.000 1.029 148 V CA -0.393 61.912 62.300 0.008 0.000 0.874 148 V CB 1.682 33.505 31.823 0.000 0.000 0.985 148 V HN 0.683 nan 8.190 nan 0.000 0.438 149 I N 3.966 124.572 120.570 0.061 0.000 2.447 149 I HA 0.790 4.955 4.170 -0.009 0.000 0.287 149 I C 0.079 176.287 176.117 0.151 0.000 1.023 149 I CA -0.528 60.841 61.300 0.116 0.000 1.083 149 I CB 1.926 40.017 38.000 0.152 0.000 1.245 149 I HN 0.676 nan 8.210 nan 0.000 0.434 150 A N 5.810 128.606 122.820 -0.040 0.000 2.354 150 A HA 0.672 4.987 4.320 -0.009 0.000 0.321 150 A C -0.232 176.838 177.584 -0.857 0.000 1.125 150 A CA -0.784 51.024 52.037 -0.381 0.000 0.799 150 A CB 1.393 20.255 19.000 -0.230 0.000 1.293 150 A HN 0.802 nan 8.150 nan 0.000 0.452 151 R N -0.142 119.524 120.500 -1.390 0.000 2.585 151 R HA 0.330 4.664 4.340 -0.009 0.000 0.275 151 R C 1.225 177.276 176.300 -0.414 0.000 1.018 151 R CA 1.904 57.332 56.100 -1.120 0.000 1.072 151 R CB -0.031 29.839 30.300 -0.716 0.000 0.953 151 R HN 1.800 nan 8.270 nan 0.000 0.419 152 G N 2.843 111.531 108.800 -0.186 0.000 2.308 152 G HA2 -0.256 3.699 3.960 -0.009 0.000 0.221 152 G HA3 -0.256 3.699 3.960 -0.009 0.000 0.221 152 G C -0.083 174.814 174.900 -0.006 0.000 1.032 152 G CA 0.130 45.191 45.100 -0.064 0.000 0.623 152 G HN 0.710 nan 8.290 nan 0.000 0.506 153 D N 1.946 122.338 120.400 -0.013 0.000 2.425 153 D HA 0.215 4.849 4.640 -0.009 0.000 0.247 153 D C 1.930 178.310 176.300 0.133 0.000 1.147 153 D CA 0.360 54.395 54.000 0.058 0.000 0.879 153 D CB 0.813 41.651 40.800 0.062 0.000 1.179 153 D HN 0.467 nan 8.370 nan 0.000 0.456 154 E N 4.735 125.015 120.200 0.134 0.000 2.219 154 E HA -0.248 4.097 4.350 -0.009 0.000 0.198 154 E C 1.160 177.921 176.600 0.269 0.000 0.998 154 E CA 1.132 57.648 56.400 0.193 0.000 0.818 154 E CB -0.291 29.502 29.700 0.156 0.000 0.741 154 E HN 0.546 nan 8.360 nan 0.000 0.477 155 R N -0.833 119.782 120.500 0.192 0.000 2.276 155 R HA 0.119 4.453 4.340 -0.009 0.000 0.196 155 R C 1.974 178.241 176.300 -0.055 0.000 0.961 155 R CA 0.458 56.636 56.100 0.129 0.000 1.024 155 R CB -0.377 29.973 30.300 0.082 0.000 0.940 155 R HN 0.092 nan 8.270 nan 0.000 0.480 156 F N 1.335 121.211 119.950 -0.122 0.000 2.216 156 F HA -0.039 4.482 4.527 -0.009 0.000 0.300 156 F C 2.163 177.743 175.800 -0.365 0.000 1.085 156 F CA 1.460 59.352 58.000 -0.181 0.000 1.326 156 F CB -0.461 38.487 39.000 -0.086 0.000 1.027 156 F HN 0.014 nan 8.300 nan 0.000 0.497 157 G N -0.671 107.817 108.800 -0.520 0.000 2.479 157 G HA2 -0.189 3.765 3.960 -0.009 0.000 0.220 157 G HA3 -0.189 3.765 3.960 -0.009 0.000 0.220 157 G C 1.716 175.523 174.900 -1.822 0.000 1.115 157 G CA 0.728 45.194 45.100 -1.057 0.000 0.757 157 G HN 0.588 nan 8.290 nan 0.000 0.560 158 G N -0.657 107.065 108.800 -1.797 0.000 3.159 158 G HA2 0.416 4.371 3.960 -0.009 0.000 0.232 158 G HA3 0.416 4.371 3.960 -0.009 0.000 0.232 158 G C 1.266 175.959 174.900 -0.345 0.000 1.116 158 G CA 1.005 45.584 45.100 -0.868 0.000 0.767 158 G HN 0.505 nan 8.290 nan 0.000 0.547 159 A N -0.262 122.247 122.820 -0.519 0.000 2.169 159 A HA 0.491 4.806 4.320 -0.009 0.000 0.210 159 A C 2.034 179.411 177.584 -0.346 0.000 1.168 159 A CA 0.845 52.666 52.037 -0.360 0.000 0.813 159 A CB 0.234 19.048 19.000 -0.310 0.000 0.861 159 A HN 0.160 nan 8.150 nan 0.000 0.481 160 V N -1.002 118.637 119.914 -0.459 0.000 2.490 160 V HA 0.016 4.131 4.120 -0.009 0.000 0.238 160 V C 1.057 177.039 176.094 -0.187 0.000 1.056 160 V CA 1.487 63.597 62.300 -0.316 0.000 1.075 160 V CB -0.623 30.982 31.823 -0.362 0.000 0.746 160 V HN 0.330 nan 8.190 nan 0.000 0.479 161 T N 1.480 115.920 114.554 -0.191 0.000 3.162 161 T HA 0.249 4.594 4.350 -0.009 0.000 0.316 161 T C 0.687 175.261 174.700 -0.210 0.000 1.182 161 T CA 0.180 62.196 62.100 -0.140 0.000 1.015 161 T CB 0.352 69.174 68.868 -0.078 0.000 1.089 161 T HN 0.315 nan 8.240 nan 0.000 0.646 162 S N 2.153 117.757 115.700 -0.159 0.000 2.629 162 S HA 0.231 4.696 4.470 -0.009 0.000 0.236 162 S C 1.042 175.574 174.600 -0.114 0.000 1.010 162 S CA -0.500 57.659 58.200 -0.068 0.000 0.981 162 S CB -0.186 63.086 63.200 0.121 0.000 0.919 162 S HN 0.753 nan 8.310 nan 0.000 0.514 163 L N 0.832 121.922 121.223 -0.222 0.000 4.001 163 L HA -0.286 4.049 4.340 -0.009 0.000 0.413 163 L C 1.175 178.001 176.870 -0.074 0.000 1.185 163 L CA 0.214 54.935 54.840 -0.198 0.000 0.963 163 L CB -2.434 39.443 42.059 -0.303 0.000 1.976 163 L HN 0.556 nan 8.230 nan 0.000 0.939 164 G N -1.142 107.622 108.800 -0.059 0.000 2.168 164 G HA2 -0.237 3.717 3.960 -0.009 0.000 0.257 164 G HA3 -0.237 3.717 3.960 -0.009 0.000 0.257 164 G C 0.793 175.675 174.900 -0.030 0.000 0.997 164 G CA 0.589 45.653 45.100 -0.060 0.000 0.708 164 G HN 1.113 nan 8.290 nan 0.000 0.520 165 A N -0.793 122.058 122.820 0.051 0.000 2.251 165 A HA 0.633 4.948 4.320 -0.009 0.000 0.209 165 A C 2.021 179.627 177.584 0.037 0.000 1.187 165 A CA 1.123 53.238 52.037 0.130 0.000 0.823 165 A CB -0.058 19.085 19.000 0.239 0.000 0.846 165 A HN 0.658 nan 8.150 nan 0.000 0.486 166 L N -1.861 119.286 121.223 -0.127 0.000 2.638 166 L HA 0.418 4.752 4.340 -0.009 0.000 0.232 166 L C 1.117 177.718 176.870 -0.449 0.000 1.099 166 L CA 0.481 55.203 54.840 -0.197 0.000 0.883 166 L CB 0.137 42.098 42.059 -0.164 0.000 1.136 166 L HN 0.502 nan 8.230 nan 0.000 0.492 167 G N -0.298 107.921 108.800 -0.969 0.000 2.357 167 G HA2 0.048 4.002 3.960 -0.009 0.000 0.289 167 G HA3 0.048 4.002 3.960 -0.009 0.000 0.289 167 G C -1.446 172.917 174.900 -0.896 0.000 1.302 167 G CA -0.837 43.350 45.100 -1.522 0.000 0.936 167 G HN -0.309 nan 8.290 nan 0.000 0.513 168 V N 0.659 120.245 119.914 -0.547 0.000 2.385 168 V HA 0.428 4.543 4.120 -0.009 0.000 0.269 168 V C 0.739 176.733 176.094 -0.165 0.000 1.043 168 V CA -0.557 61.602 62.300 -0.236 0.000 0.906 168 V CB 1.200 32.976 31.823 -0.077 0.000 0.995 168 V HN 0.718 nan 8.190 nan 0.000 0.467 169 V N 5.889 125.723 119.914 -0.134 0.000 2.387 169 V HA 0.074 4.189 4.120 -0.009 0.000 0.260 169 V C 1.553 177.609 176.094 -0.063 0.000 1.054 169 V CA 0.670 62.915 62.300 -0.093 0.000 0.967 169 V CB 0.661 32.435 31.823 -0.081 0.000 1.036 169 V HN 1.120 nan 8.190 nan 0.000 0.481 170 T N 0.991 115.513 114.554 -0.053 0.000 2.978 170 T HA 0.099 4.443 4.350 -0.009 0.000 0.262 170 T C 0.750 175.430 174.700 -0.033 0.000 1.063 170 T CA 0.349 62.425 62.100 -0.039 0.000 1.140 170 T CB 0.253 69.101 68.868 -0.033 0.000 0.886 170 T HN 0.511 nan 8.240 nan 0.000 0.470 171 S N 0.086 115.768 115.700 -0.030 0.000 2.579 171 S HA 0.767 5.232 4.470 -0.009 0.000 0.272 171 S C -1.742 172.848 174.600 -0.017 0.000 1.141 171 S CA -0.933 57.252 58.200 -0.025 0.000 0.843 171 S CB 1.926 65.115 63.200 -0.019 0.000 1.122 171 S HN 0.274 nan 8.310 nan 0.000 0.468 172 L N 0.937 122.152 121.223 -0.013 0.000 2.393 172 L HA 0.703 5.038 4.340 -0.009 0.000 0.260 172 L C -0.379 176.496 176.870 0.008 0.000 1.002 172 L CA -0.468 54.376 54.840 0.008 0.000 0.818 172 L CB 2.042 44.106 42.059 0.008 0.000 1.369 172 L HN 0.567 nan 8.230 nan 0.000 0.412 173 T N 2.225 116.795 114.554 0.027 0.000 2.807 173 T HA 0.798 5.143 4.350 -0.009 0.000 0.279 173 T C -0.827 173.895 174.700 0.036 0.000 0.993 173 T CA -0.365 61.745 62.100 0.018 0.000 0.970 173 T CB 1.237 70.108 68.868 0.005 0.000 0.950 173 T HN 0.142 nan 8.240 nan 0.000 0.441 174 L N 2.774 124.014 121.223 0.028 0.000 2.354 174 L HA 0.509 4.843 4.340 -0.009 0.000 0.269 174 L C 0.077 176.964 176.870 0.028 0.000 1.005 174 L CA -0.687 54.179 54.840 0.044 0.000 0.819 174 L CB 1.605 43.697 42.059 0.055 0.000 1.311 174 L HN 0.540 nan 8.230 nan 0.000 0.423 175 D N 2.182 122.600 120.400 0.030 0.000 2.264 175 D HA 0.583 5.217 4.640 -0.009 0.000 0.249 175 D C -0.449 175.854 176.300 0.005 0.000 1.070 175 D CA -0.011 53.996 54.000 0.011 0.000 0.912 175 D CB 1.602 42.408 40.800 0.010 0.000 1.193 175 D HN 0.231 nan 8.370 nan 0.000 0.427 176 L N 0.662 121.875 121.223 -0.016 0.000 2.309 176 L HA 0.456 4.791 4.340 -0.009 0.000 0.261 176 L C 0.304 177.142 176.870 -0.054 0.000 1.021 176 L CA -0.874 53.939 54.840 -0.044 0.000 0.823 176 L CB 2.109 44.138 42.059 -0.049 0.000 1.366 176 L HN 0.427 nan 8.230 nan 0.000 0.423 177 E N 0.073 120.223 120.200 -0.083 0.000 2.393 177 E HA 0.593 4.938 4.350 -0.009 0.000 0.265 177 E C -2.829 173.724 176.600 -0.077 0.000 0.941 177 E CA -2.424 53.933 56.400 -0.072 0.000 0.801 177 E CB 1.687 31.339 29.700 -0.080 0.000 1.313 177 E HN 0.153 nan 8.360 nan 0.000 0.435 178 P HA 0.046 nan 4.420 nan 0.000 0.268 178 P C -0.719 176.586 177.300 0.009 0.000 1.205 178 P CA 0.169 63.254 63.100 -0.025 0.000 0.771 178 P CB 0.602 32.297 31.700 -0.007 0.000 0.858 179 A N 3.558 126.364 122.820 -0.023 0.000 2.561 179 A HA 0.320 4.635 4.320 -0.009 0.000 0.234 179 A C -0.405 177.277 177.584 0.163 0.000 1.055 179 A CA 0.657 52.690 52.037 -0.006 0.000 0.756 179 A CB -0.877 18.198 19.000 0.126 0.000 0.986 179 A HN 0.613 nan 8.150 nan 0.000 0.505 180 Y N -0.687 119.660 120.300 0.079 0.000 2.562 180 Y HA 0.767 5.311 4.550 -0.009 0.000 0.345 180 Y C -0.399 175.637 175.900 0.227 0.000 1.045 180 Y CA -1.362 56.792 58.100 0.091 0.000 1.028 180 Y CB 1.239 39.670 38.460 -0.047 0.000 1.297 180 Y HN 0.540 nan 8.280 nan 0.000 0.463 181 E N 3.118 123.468 120.200 0.250 0.000 2.227 181 E HA 0.564 4.909 4.350 -0.009 0.000 0.268 181 E C -0.942 175.760 176.600 0.170 0.000 0.990 181 E CA -0.763 55.733 56.400 0.160 0.000 0.856 181 E CB 2.363 32.137 29.700 0.123 0.000 1.159 181 E HN 0.816 nan 8.360 nan 0.000 0.401 182 M N 0.821 120.484 119.600 0.106 0.000 2.593 182 M HA 0.364 4.839 4.480 -0.009 0.000 0.290 182 M C -0.738 175.599 176.300 0.062 0.000 1.244 182 M CA -0.613 54.755 55.300 0.112 0.000 0.857 182 M CB 2.677 35.356 32.600 0.133 0.000 1.738 182 M HN 0.254 nan 8.290 nan 0.000 0.461 183 E N 1.269 121.520 120.200 0.085 0.000 2.238 183 E HA 0.390 4.735 4.350 -0.009 0.000 0.267 183 E C -1.445 175.171 176.600 0.026 0.000 0.887 183 E CA -0.744 55.668 56.400 0.021 0.000 0.769 183 E CB 2.887 32.648 29.700 0.101 0.000 1.187 183 E HN 0.458 nan 8.360 nan 0.000 0.416 184 Q N 2.515 122.230 119.800 -0.143 0.000 2.368 184 Q HA 0.263 4.597 4.340 -0.009 0.000 0.263 184 Q C -1.502 174.271 176.000 -0.379 0.000 1.009 184 Q CA -0.629 55.084 55.803 -0.150 0.000 0.818 184 Q CB 0.683 29.333 28.738 -0.147 0.000 1.239 184 Q HN 0.542 nan 8.270 nan 0.000 0.464 185 H N 1.532 120.463 119.070 -0.231 0.000 2.511 185 H HA 0.466 5.016 4.556 -0.009 0.000 0.328 185 H C -0.832 174.175 175.328 -0.534 0.000 1.044 185 H CA -0.481 55.337 56.048 -0.384 0.000 1.212 185 H CB 1.617 31.279 29.762 -0.167 0.000 1.428 185 H HN 0.309 nan 8.280 nan 0.000 0.483 186 V N 4.416 123.858 119.914 -0.787 0.000 2.667 186 V HA 0.463 4.577 4.120 -0.009 0.000 0.308 186 V C -0.566 175.005 176.094 -0.871 0.000 1.048 186 V CA -0.677 61.164 62.300 -0.766 0.000 0.928 186 V CB 1.119 32.315 31.823 -1.046 0.000 1.004 186 V HN 0.565 nan 8.190 nan 0.000 0.444 187 F N 0.637 120.471 119.950 -0.194 0.000 2.613 187 F HA 0.708 5.230 4.527 -0.009 0.000 0.314 187 F C 0.267 176.081 175.800 0.024 0.000 1.075 187 F CA -0.699 57.273 58.000 -0.046 0.000 0.945 187 F CB 2.485 41.517 39.000 0.054 0.000 1.310 187 F HN 0.511 nan 8.300 nan 0.000 0.467 188 T N -1.257 113.434 114.554 0.228 0.000 2.863 188 T HA 0.584 4.929 4.350 -0.009 0.000 0.285 188 T C -1.110 173.708 174.700 0.197 0.000 1.009 188 T CA -0.780 61.424 62.100 0.174 0.000 0.989 188 T CB 1.854 70.775 68.868 0.090 0.000 1.004 188 T HN 0.566 nan 8.240 nan 0.000 0.455 189 E N 0.208 120.516 120.200 0.181 0.000 3.375 189 E HA -0.145 4.200 4.350 -0.009 0.000 0.160 189 E C -1.275 175.439 176.600 0.190 0.000 1.617 189 E CA 0.063 56.558 56.400 0.159 0.000 0.787 189 E CB -1.242 28.527 29.700 0.115 0.000 1.087 189 E HN 0.771 nan 8.360 nan 0.000 0.375 190 L N 3.494 124.857 121.223 0.235 0.000 2.276 190 L HA 0.481 4.816 4.340 -0.009 0.000 0.286 190 L C -2.437 174.597 176.870 0.273 0.000 1.024 190 L CA -1.620 53.368 54.840 0.247 0.000 0.826 190 L CB 1.213 43.423 42.059 0.253 0.000 1.211 190 L HN -0.059 nan 8.230 nan 0.000 0.422 191 P HA 0.034 nan 4.420 nan 0.000 0.269 191 P C 0.322 177.749 177.300 0.212 0.000 1.209 191 P CA -0.259 62.931 63.100 0.150 0.000 0.776 191 P CB 0.806 32.572 31.700 0.111 0.000 0.876 192 L N 3.439 124.742 121.223 0.133 0.000 2.179 192 L HA 0.170 4.505 4.340 -0.009 0.000 0.208 192 L C 0.840 177.806 176.870 0.161 0.000 1.096 192 L CA 1.058 55.995 54.840 0.162 0.000 0.779 192 L CB -1.158 40.879 42.059 -0.036 0.000 0.922 192 L HN 0.320 nan 8.230 nan 0.000 0.443 193 A N -0.271 122.627 122.820 0.130 0.000 2.522 193 A HA 0.426 4.741 4.320 -0.009 0.000 0.256 193 A C 1.457 179.113 177.584 0.119 0.000 1.086 193 A CA 0.409 52.524 52.037 0.131 0.000 0.763 193 A CB -1.035 18.022 19.000 0.095 0.000 1.024 193 A HN 1.112 nan 8.150 nan 0.000 0.502 194 G N 1.020 109.889 108.800 0.116 0.000 2.179 194 G HA2 -0.177 3.778 3.960 -0.009 0.000 0.260 194 G HA3 -0.177 3.778 3.960 -0.009 0.000 0.260 194 G C 0.187 175.146 174.900 0.099 0.000 0.977 194 G CA 0.360 45.516 45.100 0.093 0.000 0.641 194 G HN 1.439 nan 8.290 nan 0.000 0.533 195 L N 2.953 124.257 121.223 0.135 0.000 2.395 195 L HA 0.477 4.812 4.340 -0.009 0.000 0.268 195 L C 0.543 177.495 176.870 0.137 0.000 1.223 195 L CA -0.630 54.294 54.840 0.139 0.000 1.093 195 L CB -0.292 41.892 42.059 0.207 0.000 1.349 195 L HN 0.371 nan 8.230 nan 0.000 0.427 196 D N 3.171 123.626 120.400 0.091 0.000 2.432 196 D HA 0.341 4.975 4.640 -0.009 0.000 0.258 196 D C -1.995 174.350 176.300 0.075 0.000 1.146 196 D CA -2.215 51.827 54.000 0.071 0.000 1.015 196 D CB 0.033 40.861 40.800 0.046 0.000 1.107 196 D HN 0.101 nan 8.370 nan 0.000 0.529 197 P HA -0.161 nan 4.420 nan 0.000 0.215 197 P C 1.246 178.588 177.300 0.070 0.000 1.157 197 P CA 2.699 65.835 63.100 0.060 0.000 0.874 197 P CB -0.105 31.611 31.700 0.027 0.000 0.790 198 A N -1.175 121.664 122.820 0.031 0.000 1.902 198 A HA -0.167 4.148 4.320 -0.009 0.000 0.217 198 A C 2.245 179.805 177.584 -0.040 0.000 1.181 198 A CA 2.405 54.444 52.037 0.002 0.000 0.623 198 A CB -1.820 17.179 19.000 -0.001 0.000 0.818 198 A HN 0.169 nan 8.150 nan 0.000 0.443 199 T N -0.926 113.599 114.554 -0.049 0.000 2.777 199 T HA -0.088 4.257 4.350 -0.009 0.000 0.266 199 T C 1.616 176.183 174.700 -0.221 0.000 1.040 199 T CA 1.406 63.392 62.100 -0.189 0.000 1.141 199 T CB -0.384 68.391 68.868 -0.155 0.000 0.868 199 T HN 0.443 nan 8.240 nan 0.000 0.444 200 F N 2.016 121.857 119.950 -0.182 0.000 2.095 200 F HA -0.118 4.404 4.527 -0.009 0.000 0.298 200 F C 2.444 178.144 175.800 -0.167 0.000 1.104 200 F CA 1.819 59.717 58.000 -0.170 0.000 1.232 200 F CB -0.283 38.654 39.000 -0.105 0.000 0.987 200 F HN 0.175 nan 8.300 nan 0.000 0.475 201 E N -0.674 119.497 120.200 -0.050 0.000 2.058 201 E HA -0.214 4.130 4.350 -0.009 0.000 0.194 201 E C 2.054 178.527 176.600 -0.212 0.000 0.997 201 E CA 2.100 58.430 56.400 -0.116 0.000 0.801 201 E CB -0.337 29.352 29.700 -0.017 0.000 0.746 201 E HN 0.397 nan 8.360 nan 0.000 0.450 202 T N 0.246 114.674 114.554 -0.211 0.000 2.684 202 T HA -0.153 4.192 4.350 -0.009 0.000 0.267 202 T C 1.886 176.427 174.700 -0.265 0.000 1.036 202 T CA 1.428 63.399 62.100 -0.216 0.000 1.148 202 T CB -0.274 68.455 68.868 -0.232 0.000 0.863 202 T HN 0.033 nan 8.240 nan 0.000 0.436 203 V N 1.670 121.330 119.914 -0.422 0.000 2.295 203 V HA -0.157 3.958 4.120 -0.009 0.000 0.246 203 V C 2.515 178.450 176.094 -0.265 0.000 1.049 203 V CA 1.422 63.532 62.300 -0.316 0.000 1.024 203 V CB -0.483 31.083 31.823 -0.427 0.000 0.648 203 V HN 0.450 nan 8.190 nan 0.000 0.447 204 M N -0.403 118.917 119.600 -0.467 0.000 2.394 204 M HA 0.052 4.527 4.480 -0.009 0.000 0.264 204 M C 1.920 178.076 176.300 -0.240 0.000 1.073 204 M CA 1.543 56.588 55.300 -0.425 0.000 1.111 204 M CB -1.236 30.996 32.600 -0.614 0.000 1.401 204 M HN 0.395 nan 8.290 nan 0.000 0.448 205 A N -0.705 122.002 122.820 -0.188 0.000 2.348 205 A HA 0.511 4.826 4.320 -0.009 0.000 0.224 205 A C 2.099 179.652 177.584 -0.051 0.000 1.227 205 A CA 0.695 52.667 52.037 -0.108 0.000 0.885 205 A CB -0.428 18.516 19.000 -0.093 0.000 0.933 205 A HN 0.359 nan 8.150 nan 0.000 0.506 206 A N -0.610 122.190 122.820 -0.034 0.000 2.121 206 A HA 0.513 4.828 4.320 -0.009 0.000 0.218 206 A C 1.204 178.800 177.584 0.021 0.000 1.154 206 A CA 1.408 53.467 52.037 0.038 0.000 0.679 206 A CB -0.304 18.798 19.000 0.170 0.000 0.795 206 A HN 1.277 nan 8.150 nan 0.000 0.458 207 A N -3.317 119.508 122.820 0.009 0.000 2.583 207 A HA 0.533 4.848 4.320 -0.009 0.000 0.289 207 A C 0.304 177.947 177.584 0.099 0.000 1.151 207 A CA -0.063 52.013 52.037 0.064 0.000 0.695 207 A CB -0.401 18.641 19.000 0.070 0.000 1.290 207 A HN 0.370 nan 8.150 nan 0.000 0.419 208 Y N 0.980 121.291 120.300 0.018 0.000 2.114 208 Y HA -0.021 4.523 4.550 -0.009 0.000 0.282 208 Y C 1.217 177.130 175.900 0.023 0.000 1.165 208 Y CA 2.565 60.676 58.100 0.018 0.000 1.148 208 Y CB 0.136 38.624 38.460 0.048 0.000 0.972 208 Y HN 0.688 nan 8.280 nan 0.000 0.504 209 S N 0.139 115.908 115.700 0.115 0.000 2.594 209 S HA 0.658 5.122 4.470 -0.009 0.000 0.296 209 S C -1.685 172.939 174.600 0.040 0.000 1.124 209 S CA -0.681 57.526 58.200 0.012 0.000 1.011 209 S CB 1.039 64.290 63.200 0.086 0.000 1.016 209 S HN -0.036 nan 8.310 nan 0.000 0.485 210 V N 4.050 123.943 119.914 -0.036 0.000 2.588 210 V HA 0.651 4.765 4.120 -0.009 0.000 0.304 210 V C -0.198 175.827 176.094 -0.114 0.000 1.042 210 V CA -0.627 61.636 62.300 -0.060 0.000 0.877 210 V CB 2.005 33.752 31.823 -0.128 0.000 0.996 210 V HN 0.876 nan 8.190 nan 0.000 0.425 211 S N 4.690 120.319 115.700 -0.117 0.000 2.536 211 S HA 0.777 5.242 4.470 -0.009 0.000 0.298 211 S C -0.649 173.723 174.600 -0.380 0.000 1.083 211 S CA -0.599 57.404 58.200 -0.328 0.000 0.995 211 S CB 1.521 64.403 63.200 -0.530 0.000 1.058 211 S HN 0.526 nan 8.310 nan 0.000 0.488 212 L N 2.476 123.388 121.223 -0.517 0.000 2.322 212 L HA 0.656 4.991 4.340 -0.009 0.000 0.279 212 L C -1.248 175.253 176.870 -0.615 0.000 1.036 212 L CA -0.586 53.981 54.840 -0.455 0.000 0.807 212 L CB 0.704 42.364 42.059 -0.664 0.000 1.226 212 L HN 0.525 nan 8.230 nan 0.000 0.433 213 F N 0.092 119.995 119.950 -0.079 0.000 2.532 213 F HA 0.653 5.175 4.527 -0.009 0.000 0.321 213 F C 0.355 176.141 175.800 -0.023 0.000 1.089 213 F CA -0.513 57.431 58.000 -0.093 0.000 0.926 213 F CB 2.377 41.291 39.000 -0.142 0.000 1.168 213 F HN 0.327 nan 8.300 nan 0.000 0.459 214 T N 0.068 114.625 114.554 0.005 0.000 2.883 214 T HA 0.283 4.628 4.350 -0.009 0.000 0.301 214 T C -0.357 174.194 174.700 -0.248 0.000 1.158 214 T CA -0.631 61.328 62.100 -0.235 0.000 1.007 214 T CB 1.271 69.698 68.868 -0.736 0.000 1.186 214 T HN 0.674 nan 8.240 nan 0.000 0.499 215 D N 0.308 120.605 120.400 -0.173 0.000 2.349 215 D HA 0.045 4.680 4.640 -0.009 0.000 0.214 215 D C 0.549 176.917 176.300 0.113 0.000 1.063 215 D CA -0.108 53.888 54.000 -0.007 0.000 0.847 215 D CB -0.420 40.406 40.800 0.043 0.000 0.933 215 D HN 0.815 nan 8.370 nan 0.000 0.513 216 W N 0.628 121.947 121.300 0.031 0.000 4.551 216 W HA -0.305 4.350 4.660 -0.009 0.000 0.343 216 W C 1.251 177.788 176.519 0.029 0.000 1.269 216 W CA 0.028 57.387 57.345 0.023 0.000 0.799 216 W CB -1.564 27.956 29.460 0.100 0.000 2.352 216 W HN 0.075 nan 8.180 nan 0.000 1.462 217 R N 0.222 120.822 120.500 0.167 0.000 1.799 217 R HA 0.524 4.858 4.340 -0.009 0.000 0.150 217 R C 1.434 177.785 176.300 0.085 0.000 1.953 217 R CA 0.178 56.351 56.100 0.123 0.000 1.598 217 R CB -0.775 29.578 30.300 0.089 0.000 1.119 217 R HN 0.024 nan 8.270 nan 0.000 0.479 218 A N 2.707 125.554 122.820 0.044 0.000 2.483 218 A HA 0.219 4.533 4.320 -0.009 0.000 0.238 218 A C -2.163 175.424 177.584 0.005 0.000 1.070 218 A CA -0.928 51.127 52.037 0.029 0.000 0.770 218 A CB -0.435 18.576 19.000 0.019 0.000 1.008 218 A HN 0.121 nan 8.150 nan 0.000 0.497 219 P HA 0.347 nan 4.420 nan 0.000 0.265 219 P C 0.826 178.063 177.300 -0.104 0.000 1.187 219 P CA 1.928 65.020 63.100 -0.014 0.000 0.766 219 P CB 0.364 32.076 31.700 0.019 0.000 0.820 220 G N 1.190 109.833 108.800 -0.261 0.000 2.587 220 G HA2 -0.127 3.827 3.960 -0.009 0.000 0.212 220 G HA3 -0.127 3.827 3.960 -0.009 0.000 0.212 220 G C -1.252 173.196 174.900 -0.754 0.000 1.327 220 G CA -0.868 43.972 45.100 -0.433 0.000 0.898 220 G HN 0.331 nan 8.290 nan 0.000 0.551 221 F N 0.716 120.608 119.950 -0.096 0.000 2.469 221 F HA 0.688 5.209 4.527 -0.009 0.000 0.332 221 F C 1.621 177.406 175.800 -0.024 0.000 1.103 221 F CA -1.046 56.883 58.000 -0.119 0.000 0.979 221 F CB 1.856 40.805 39.000 -0.086 0.000 1.137 221 F HN 0.315 nan 8.300 nan 0.000 0.463 222 R N 0.861 121.442 120.500 0.136 0.000 2.093 222 R HA 0.096 4.431 4.340 -0.009 0.000 0.224 222 R C -0.251 176.167 176.300 0.198 0.000 1.101 222 R CA 0.777 56.953 56.100 0.127 0.000 0.979 222 R CB -0.111 30.238 30.300 0.081 0.000 0.877 222 R HN 0.716 nan 8.270 nan 0.000 0.441 223 Q N -0.327 119.643 119.800 0.284 0.000 2.416 223 Q HA 0.533 4.867 4.340 -0.009 0.000 0.281 223 Q C -1.431 174.808 176.000 0.398 0.000 1.067 223 Q CA -0.761 55.259 55.803 0.362 0.000 0.809 223 Q CB 3.374 32.396 28.738 0.472 0.000 1.418 223 Q HN -0.213 nan 8.270 nan 0.000 0.411 224 V N 0.850 121.011 119.914 0.412 0.000 2.577 224 V HA 0.451 4.566 4.120 -0.009 0.000 0.303 224 V C -1.532 174.825 176.094 0.438 0.000 1.042 224 V CA -0.760 61.734 62.300 0.323 0.000 0.872 224 V CB 1.168 33.093 31.823 0.170 0.000 0.998 224 V HN 0.660 nan 8.190 nan 0.000 0.423 225 W N 5.112 126.430 121.300 0.030 0.000 2.417 225 W HA 0.738 5.393 4.660 -0.009 0.000 0.315 225 W C -0.784 175.715 176.519 -0.032 0.000 1.045 225 W CA -1.040 56.311 57.345 0.011 0.000 1.221 225 W CB 1.406 30.877 29.460 0.018 0.000 1.309 225 W HN 0.275 nan 8.180 nan 0.000 0.453 226 L N 4.230 125.542 121.223 0.148 0.000 2.280 226 L HA 0.372 4.707 4.340 -0.009 0.000 0.287 226 L C -0.028 176.934 176.870 0.152 0.000 1.023 226 L CA -0.882 54.009 54.840 0.084 0.000 0.819 226 L CB 0.931 42.996 42.059 0.010 0.000 1.212 226 L HN 0.203 nan 8.230 nan 0.000 0.420 227 K N 4.377 124.882 120.400 0.174 0.000 2.347 227 K HA 0.407 4.721 4.320 -0.009 0.000 0.262 227 K C -0.353 176.383 176.600 0.227 0.000 1.052 227 K CA -0.628 55.782 56.287 0.205 0.000 0.946 227 K CB 1.294 33.940 32.500 0.243 0.000 1.220 227 K HN 0.330 nan 8.250 nan 0.000 0.450 228 R N 3.505 124.127 120.500 0.203 0.000 2.407 228 R HA 0.279 4.614 4.340 -0.009 0.000 0.303 228 R C -0.643 175.747 176.300 0.149 0.000 0.981 228 R CA -0.575 55.631 56.100 0.176 0.000 0.905 228 R CB 0.825 31.217 30.300 0.152 0.000 1.099 228 R HN 0.589 nan 8.270 nan 0.000 0.459 229 R N 1.421 121.975 120.500 0.090 0.000 2.389 229 R HA 0.043 4.378 4.340 -0.009 0.000 0.295 229 R C 1.344 177.682 176.300 0.063 0.000 1.075 229 R CA 0.346 56.472 56.100 0.042 0.000 1.005 229 R CB 0.854 31.069 30.300 -0.142 0.000 0.987 229 R HN 0.749 nan 8.270 nan 0.000 0.452 230 T N -2.144 112.463 114.554 0.087 0.000 3.007 230 T HA -0.133 4.211 4.350 -0.009 0.000 0.270 230 T C 1.063 175.793 174.700 0.049 0.000 1.107 230 T CA 1.161 63.306 62.100 0.075 0.000 1.118 230 T CB -0.127 68.789 68.868 0.081 0.000 0.889 230 T HN 0.673 nan 8.240 nan 0.000 0.506 231 D N 0.687 121.107 120.400 0.033 0.000 2.328 231 D HA 0.012 4.647 4.640 -0.009 0.000 0.226 231 D C 0.657 176.955 176.300 -0.004 0.000 1.066 231 D CA -0.180 53.826 54.000 0.010 0.000 0.861 231 D CB -0.013 40.785 40.800 -0.003 0.000 0.912 231 D HN 0.271 nan 8.370 nan 0.000 0.521 232 R N 0.734 121.237 120.500 0.005 0.000 2.854 232 R HA 0.467 4.802 4.340 -0.009 0.000 0.271 232 R C -2.639 173.675 176.300 0.023 0.000 0.996 232 R CA -2.067 54.039 56.100 0.011 0.000 0.961 232 R CB 0.481 30.791 30.300 0.017 0.000 1.182 232 R HN 0.023 nan 8.270 nan 0.000 0.479 233 P HA 0.050 nan 4.420 nan 0.000 0.268 233 P C -0.618 176.696 177.300 0.023 0.000 1.205 233 P CA -0.350 62.763 63.100 0.021 0.000 0.771 233 P CB 0.603 32.313 31.700 0.017 0.000 0.858 234 L N 3.840 125.072 121.223 0.015 0.000 2.294 234 L HA 0.388 4.723 4.340 -0.009 0.000 0.283 234 L C -0.349 176.524 176.870 0.005 0.000 1.015 234 L CA -0.355 54.484 54.840 -0.002 0.000 0.831 234 L CB 0.497 42.527 42.059 -0.048 0.000 1.217 234 L HN 0.169 nan 8.230 nan 0.000 0.420 235 D N 2.838 123.252 120.400 0.024 0.000 2.383 235 D HA 0.397 5.032 4.640 -0.009 0.000 0.248 235 D C 0.343 176.667 176.300 0.040 0.000 1.170 235 D CA 0.058 54.075 54.000 0.029 0.000 0.977 235 D CB 0.870 41.693 40.800 0.038 0.000 1.120 235 D HN 0.695 nan 8.370 nan 0.000 0.481 236 G N -0.490 108.325 108.800 0.024 0.000 2.554 236 G HA2 0.225 4.180 3.960 -0.009 0.000 0.238 236 G HA3 0.225 4.180 3.960 -0.009 0.000 0.238 236 G C -0.904 174.022 174.900 0.043 0.000 1.259 236 G CA -0.218 44.899 45.100 0.029 0.000 0.843 236 G HN 0.325 nan 8.290 nan 0.000 0.582 237 F N 3.828 123.691 119.950 -0.145 0.000 2.453 237 F HA 0.418 4.939 4.527 -0.009 0.000 0.358 237 F C -1.377 174.218 175.800 -0.342 0.000 1.129 237 F CA -2.393 55.446 58.000 -0.269 0.000 1.200 237 F CB 2.182 40.866 39.000 -0.526 0.000 1.431 237 F HN 0.311 nan 8.300 nan 0.000 0.503 238 P HA -0.092 nan 4.420 nan 0.000 0.241 238 P C 0.770 177.700 177.300 -0.618 0.000 1.191 238 P CA 0.969 63.708 63.100 -0.602 0.000 0.771 238 P CB -0.103 31.209 31.700 -0.647 0.000 0.929 239 Y N 0.540 120.474 120.300 -0.609 0.000 2.516 239 Y HA 0.297 4.841 4.550 -0.009 0.000 0.291 239 Y C 1.553 177.345 175.900 -0.181 0.000 1.131 239 Y CA 0.346 58.162 58.100 -0.474 0.000 1.281 239 Y CB -0.287 37.717 38.460 -0.761 0.000 1.013 239 Y HN -0.014 nan 8.280 nan 0.000 0.554 240 A N -0.538 122.325 122.820 0.072 0.000 2.609 240 A HA 0.829 5.143 4.320 -0.009 0.000 0.291 240 A C -1.052 176.743 177.584 0.352 0.000 1.096 240 A CA -0.600 51.590 52.037 0.254 0.000 0.684 240 A CB 0.333 19.566 19.000 0.388 0.000 1.282 240 A HN 0.082 nan 8.150 nan 0.000 0.412 241 A N 1.666 124.667 122.820 0.301 0.000 2.388 241 A HA 0.695 5.010 4.320 -0.009 0.000 0.257 241 A C -2.429 175.335 177.584 0.300 0.000 1.095 241 A CA -1.426 50.764 52.037 0.255 0.000 0.791 241 A CB -0.430 18.654 19.000 0.140 0.000 1.029 241 A HN 0.521 nan 8.150 nan 0.000 0.489 242 P HA 0.214 nan 4.420 nan 0.000 0.268 242 P C -0.089 177.107 177.300 -0.173 0.000 1.204 242 P CA 0.226 63.240 63.100 -0.143 0.000 0.768 242 P CB 0.561 32.205 31.700 -0.093 0.000 0.842 243 A N 3.304 125.906 122.820 -0.363 0.000 2.511 243 A HA 0.340 4.655 4.320 -0.009 0.000 0.242 243 A C 1.568 179.048 177.584 -0.174 0.000 1.069 243 A CA 0.376 52.241 52.037 -0.286 0.000 0.763 243 A CB -0.252 18.465 19.000 -0.472 0.000 1.001 243 A HN 0.601 nan 8.150 nan 0.000 0.498 244 A N 2.194 124.987 122.820 -0.045 0.000 2.021 244 A HA 0.202 4.517 4.320 -0.009 0.000 0.216 244 A C 0.827 178.522 177.584 0.185 0.000 1.163 244 A CA 0.905 52.987 52.037 0.074 0.000 0.676 244 A CB -0.018 19.006 19.000 0.040 0.000 0.818 244 A HN 0.848 nan 8.150 nan 0.000 0.453 245 E N -0.851 119.409 120.200 0.100 0.000 2.359 245 E HA 0.351 4.696 4.350 -0.009 0.000 0.266 245 E C -0.951 175.670 176.600 0.034 0.000 0.920 245 E CA -0.943 55.560 56.400 0.171 0.000 0.788 245 E CB 1.574 31.307 29.700 0.055 0.000 1.279 245 E HN 0.211 nan 8.360 nan 0.000 0.438 246 K N 1.682 122.164 120.400 0.137 0.000 2.436 246 K HA 0.083 4.398 4.320 -0.009 0.000 0.275 246 K C -0.559 175.960 176.600 -0.136 0.000 0.999 246 K CA 0.242 56.484 56.287 -0.075 0.000 0.980 246 K CB 0.428 32.954 32.500 0.042 0.000 0.919 246 K HN 0.306 nan 8.250 nan 0.000 0.484 247 M N 2.735 122.183 119.600 -0.254 0.000 2.598 247 M HA 0.233 4.707 4.480 -0.009 0.000 0.317 247 M C -0.272 176.054 176.300 0.044 0.000 1.179 247 M CA -0.650 54.581 55.300 -0.115 0.000 0.936 247 M CB 1.471 33.969 32.600 -0.170 0.000 1.713 247 M HN 0.615 nan 8.290 nan 0.000 0.460 248 H N 2.097 121.171 119.070 0.007 0.000 2.492 248 H HA 0.356 4.906 4.556 -0.009 0.000 0.345 248 H C -2.066 173.155 175.328 -0.179 0.000 1.136 248 H CA -1.554 54.478 56.048 -0.027 0.000 1.202 248 H CB 2.308 32.054 29.762 -0.028 0.000 1.524 248 H HN 0.250 nan 8.280 nan 0.000 0.506 249 P HA -0.169 nan 4.420 nan 0.000 0.217 249 P C 0.000 177.175 177.300 -0.209 0.000 1.151 249 P CA 1.037 63.590 63.100 -0.911 0.000 0.849 249 P CB 0.282 31.474 31.700 -0.847 0.000 0.787 250 V N 0.699 120.792 119.914 0.297 0.000 2.328 250 V HA 0.252 4.366 4.120 -0.009 0.000 0.278 250 V C -2.272 173.834 176.094 0.021 0.000 1.021 250 V CA -2.197 60.181 62.300 0.131 0.000 0.838 250 V CB 1.055 32.950 31.823 0.121 0.000 0.999 250 V HN -0.083 nan 8.190 nan 0.000 0.447 251 P HA 0.202 nan 4.420 nan 0.000 0.262 251 P C 1.075 178.356 177.300 -0.032 0.000 1.182 251 P CA 1.481 64.581 63.100 0.000 0.000 0.761 251 P CB 0.646 32.358 31.700 0.019 0.000 0.795 252 G N 1.976 110.749 108.800 -0.045 0.000 2.284 252 G HA2 -0.222 3.732 3.960 -0.009 0.000 0.230 252 G HA3 -0.222 3.732 3.960 -0.009 0.000 0.230 252 G C 0.242 175.072 174.900 -0.116 0.000 1.021 252 G CA -0.353 44.713 45.100 -0.056 0.000 0.619 252 G HN 0.401 nan 8.290 nan 0.000 0.510 253 M N 1.536 120.980 119.600 -0.260 0.000 2.226 253 M HA 0.355 4.829 4.480 -0.009 0.000 0.324 253 M C -2.340 173.764 176.300 -0.326 0.000 1.112 253 M CA -2.279 52.755 55.300 -0.443 0.000 1.176 253 M CB -0.306 31.706 32.600 -0.980 0.000 1.430 253 M HN -0.051 nan 8.290 nan 0.000 0.462 254 P HA 0.172 nan 4.420 nan 0.000 0.276 254 P C -0.060 177.318 177.300 0.130 0.000 1.264 254 P CA 0.002 63.100 63.100 -0.003 0.000 0.769 254 P CB 0.325 32.026 31.700 0.000 0.000 0.840 255 A N 3.828 126.708 122.820 0.101 0.000 2.125 255 A HA -0.121 4.193 4.320 -0.009 0.000 0.219 255 A C 2.017 179.610 177.584 0.016 0.000 1.156 255 A CA 1.110 53.197 52.037 0.084 0.000 0.671 255 A CB -1.213 17.806 19.000 0.033 0.000 0.794 255 A HN 0.445 nan 8.150 nan 0.000 0.459 256 V N 0.765 120.688 119.914 0.014 0.000 2.688 256 V HA -0.235 3.880 4.120 -0.009 0.000 0.256 256 V C 1.766 177.849 176.094 -0.018 0.000 1.084 256 V CA 2.431 64.732 62.300 0.001 0.000 1.103 256 V CB -0.862 30.971 31.823 0.017 0.000 0.688 256 V HN 0.621 nan 8.190 nan 0.000 0.480 257 N N -0.679 117.981 118.700 -0.067 0.000 2.459 257 N HA -0.016 4.719 4.740 -0.009 0.000 0.181 257 N C 0.589 176.058 175.510 -0.067 0.000 1.046 257 N CA 0.875 53.800 53.050 -0.207 0.000 0.904 257 N CB -0.526 37.607 38.487 -0.590 0.000 0.964 257 N HN 0.479 nan 8.380 nan 0.000 0.444 258 C N 0.755 119.973 119.300 -0.137 0.000 2.335 258 C HA 0.412 4.867 4.460 -0.009 0.000 0.363 258 C C 1.078 175.986 174.990 -0.138 0.000 1.198 258 C CA -1.051 57.808 59.018 -0.266 0.000 2.279 258 C CB 0.995 28.563 27.740 -0.287 0.000 2.334 258 C HN 0.397 nan 8.230 nan 0.000 0.559 259 T N -0.607 113.868 114.554 -0.131 0.000 2.856 259 T HA 0.173 4.517 4.350 -0.009 0.000 0.306 259 T C -0.222 174.398 174.700 -0.133 0.000 1.062 259 T CA -0.335 61.705 62.100 -0.100 0.000 1.083 259 T CB 0.407 69.233 68.868 -0.071 0.000 0.984 259 T HN 0.786 nan 8.240 nan 0.000 0.542 260 E N 1.086 121.210 120.200 -0.126 0.000 2.413 260 E HA 0.108 4.453 4.350 -0.009 0.000 0.263 260 E C 0.237 176.721 176.600 -0.193 0.000 1.015 260 E CA -0.086 56.237 56.400 -0.127 0.000 0.916 260 E CB 0.494 30.134 29.700 -0.100 0.000 0.947 260 E HN 0.668 nan 8.360 nan 0.000 0.440 261 Q N 1.988 121.661 119.800 -0.212 0.000 3.182 261 Q HA 0.346 4.680 4.340 -0.009 0.000 0.212 261 Q C -0.370 175.478 176.000 -0.253 0.000 1.099 261 Q CA -0.785 54.775 55.803 -0.405 0.000 0.680 261 Q CB 0.445 28.753 28.738 -0.715 0.000 3.554 261 Q HN 0.684 nan 8.270 nan 0.000 0.361 262 F N 0.326 120.038 119.950 -0.398 0.000 3.093 262 F HA -0.244 4.278 4.527 -0.009 0.000 0.283 262 F C 1.013 176.551 175.800 -0.438 0.000 0.848 262 F CA 1.037 58.822 58.000 -0.359 0.000 1.059 262 F CB -2.046 36.807 39.000 -0.246 0.000 1.191 262 F HN 0.812 nan 8.300 nan 0.000 0.514 263 G N -0.965 107.471 108.800 -0.607 0.000 2.168 263 G HA2 -0.243 3.712 3.960 -0.009 0.000 0.257 263 G HA3 -0.243 3.712 3.960 -0.009 0.000 0.257 263 G C 0.072 174.789 174.900 -0.305 0.000 0.997 263 G CA -0.018 44.556 45.100 -0.876 0.000 0.708 263 G HN 0.689 nan 8.290 nan 0.000 0.520 264 V N 2.190 121.996 119.914 -0.181 0.000 2.485 264 V HA 0.275 4.389 4.120 -0.009 0.000 0.287 264 V C -1.166 174.878 176.094 -0.083 0.000 1.022 264 V CA -0.906 61.337 62.300 -0.094 0.000 1.067 264 V CB 0.844 32.626 31.823 -0.069 0.000 0.967 264 V HN 0.196 nan 8.190 nan 0.000 0.479 265 P HA 0.389 nan 4.420 nan 0.000 0.268 265 P C 0.177 177.456 177.300 -0.035 0.000 1.205 265 P CA 0.392 63.480 63.100 -0.019 0.000 0.771 265 P CB 0.860 32.567 31.700 0.011 0.000 0.858 266 G N 2.282 111.058 108.800 -0.041 0.000 2.649 266 G HA2 0.562 4.517 3.960 -0.009 0.000 0.290 266 G HA3 0.562 4.517 3.960 -0.009 0.000 0.290 266 G C -3.278 171.574 174.900 -0.081 0.000 1.426 266 G CA -1.394 43.660 45.100 -0.077 0.000 0.794 266 G HN 0.209 nan 8.290 nan 0.000 0.483 267 P HA 0.017 nan 4.420 nan 0.000 0.269 267 P C 1.192 178.324 177.300 -0.280 0.000 1.215 267 P CA -0.349 62.652 63.100 -0.166 0.000 0.780 267 P CB 0.683 32.141 31.700 -0.403 0.000 0.898 268 W N 4.769 125.905 121.300 -0.273 0.000 2.290 268 W HA -0.262 4.392 4.660 -0.009 0.000 0.318 268 W C 1.465 177.896 176.519 -0.146 0.000 1.248 268 W CA 2.191 59.310 57.345 -0.377 0.000 1.263 268 W CB -2.582 26.263 29.460 -1.025 0.000 1.147 268 W HN 0.517 nan 8.180 nan 0.000 0.494 269 H N 0.423 118.608 119.070 -1.475 0.000 2.555 269 H HA 0.158 4.709 4.556 -0.009 0.000 0.269 269 H C 0.777 175.742 175.328 -0.606 0.000 0.988 269 H CA 1.189 56.518 56.048 -1.197 0.000 1.178 269 H CB -0.961 27.718 29.762 -1.805 0.000 1.373 269 H HN 0.365 nan 8.280 nan 0.000 0.588 270 E N 0.336 120.041 120.200 -0.825 0.000 2.476 270 E HA 0.148 4.492 4.350 -0.009 0.000 0.196 270 E C 1.145 177.579 176.600 -0.276 0.000 1.029 270 E CA -0.229 55.849 56.400 -0.537 0.000 0.896 270 E CB 0.655 30.008 29.700 -0.579 0.000 1.012 270 E HN 0.250 nan 8.360 nan 0.000 0.475 271 R N -0.556 119.827 120.500 -0.194 0.000 2.561 271 R HA 0.217 4.551 4.340 -0.009 0.000 0.213 271 R C 1.976 178.300 176.300 0.040 0.000 0.885 271 R CA 0.032 56.099 56.100 -0.056 0.000 1.002 271 R CB 0.052 30.339 30.300 -0.022 0.000 1.432 271 R HN 0.125 nan 8.270 nan 0.000 0.651 272 L N 1.629 122.879 121.223 0.044 0.000 2.027 272 L HA 0.001 4.336 4.340 -0.009 0.000 0.206 272 L C -1.305 175.571 176.870 0.010 0.000 1.074 272 L CA 0.914 55.818 54.840 0.106 0.000 0.745 272 L CB -1.304 40.862 42.059 0.179 0.000 0.898 272 L HN -0.012 nan 8.230 nan 0.000 0.433 273 P HA -0.011 nan 4.420 nan 0.000 0.272 273 P C -0.154 177.115 177.300 -0.051 0.000 1.230 273 P CA 0.446 63.470 63.100 -0.127 0.000 0.788 273 P CB 0.299 31.939 31.700 -0.101 0.000 0.949 274 H N -0.362 118.637 119.070 -0.118 0.000 2.529 274 H HA 0.118 4.669 4.556 -0.009 0.000 0.277 274 H C 0.004 174.912 175.328 -0.701 0.000 0.999 274 H CA 0.262 56.085 56.048 -0.375 0.000 1.256 274 H CB -0.116 29.219 29.762 -0.710 0.000 1.402 274 H HN 0.317 nan 8.280 nan 0.000 0.566 275 F N 1.578 121.548 119.950 0.033 0.000 2.482 275 F HA 0.275 4.796 4.527 -0.009 0.000 0.331 275 F C 0.401 176.217 175.800 0.027 0.000 1.115 275 F CA -1.434 56.591 58.000 0.042 0.000 0.955 275 F CB 1.141 40.227 39.000 0.144 0.000 1.136 275 F HN -0.004 nan 8.300 nan 0.000 0.452 276 R N 1.595 122.202 120.500 0.179 0.000 2.643 276 R HA 0.516 4.851 4.340 -0.009 0.000 0.270 276 R C 0.770 177.176 176.300 0.178 0.000 1.061 276 R CA 0.101 56.264 56.100 0.106 0.000 1.107 276 R CB 0.570 30.913 30.300 0.073 0.000 0.999 276 R HN 0.777 nan 8.270 nan 0.000 0.460 277 A N 2.472 125.337 122.820 0.076 0.000 1.978 277 A HA -0.202 4.113 4.320 -0.009 0.000 0.220 277 A C 1.674 179.443 177.584 0.308 0.000 1.170 277 A CA 1.716 53.836 52.037 0.138 0.000 0.636 277 A CB -0.479 18.563 19.000 0.071 0.000 0.810 277 A HN 0.927 nan 8.150 nan 0.000 0.448 278 E N -1.435 118.896 120.200 0.218 0.000 2.338 278 E HA -0.020 4.325 4.350 -0.009 0.000 0.197 278 E C 0.212 176.980 176.600 0.279 0.000 1.007 278 E CA 0.191 56.710 56.400 0.199 0.000 0.849 278 E CB -0.163 29.620 29.700 0.139 0.000 0.774 278 E HN 0.596 nan 8.360 nan 0.000 0.506 279 F N 1.838 121.911 119.950 0.205 0.000 2.413 279 F HA 0.186 4.708 4.527 -0.008 0.000 0.359 279 F C -0.046 175.897 175.800 0.239 0.000 1.122 279 F CA -0.630 57.496 58.000 0.210 0.000 1.160 279 F CB 0.552 39.703 39.000 0.252 0.000 1.146 279 F HN -0.229 nan 8.300 nan 0.000 0.514 280 T N 5.178 119.561 114.554 -0.285 0.000 3.466 280 T HA 0.383 4.728 4.350 -0.009 0.000 0.297 280 T C -2.639 171.866 174.700 -0.326 0.000 1.640 280 T CA -1.451 60.443 62.100 -0.343 0.000 1.631 280 T CB -0.112 68.602 68.868 -0.257 0.000 0.928 280 T HN 0.429 nan 8.240 nan 0.000 0.688 281 P HA 0.234 nan 4.420 nan 0.000 0.276 281 P C 0.965 178.342 177.300 0.127 0.000 1.235 281 P CA -0.313 62.692 63.100 -0.157 0.000 0.772 281 P CB 1.560 33.199 31.700 -0.101 0.000 0.871 282 S N 1.360 117.073 115.700 0.022 0.000 2.496 282 S HA 0.076 4.541 4.470 -0.009 0.000 0.224 282 S C 0.807 175.283 174.600 -0.206 0.000 0.996 282 S CA 0.408 58.623 58.200 0.026 0.000 0.927 282 S CB -0.409 62.766 63.200 -0.041 0.000 0.774 282 S HN 0.710 nan 8.310 nan 0.000 0.524 283 S N -1.267 114.122 115.700 -0.520 0.000 2.643 283 S HA 0.790 5.255 4.470 -0.009 0.000 0.270 283 S C -0.582 173.220 174.600 -1.331 0.000 1.166 283 S CA -0.488 56.896 58.200 -1.360 0.000 0.815 283 S CB 1.152 63.894 63.200 -0.762 0.000 1.139 283 S HN 0.792 nan 8.310 nan 0.000 0.472 284 G N -0.609 107.212 108.800 -1.632 0.000 2.682 284 G HA2 0.697 4.652 3.960 -0.009 0.000 0.300 284 G HA3 0.697 4.652 3.960 -0.009 0.000 0.300 284 G C -0.669 174.055 174.900 -0.293 0.000 1.391 284 G CA -0.414 44.250 45.100 -0.726 0.000 0.990 284 G HN 1.331 nan 8.290 nan 0.000 0.501 285 A N 1.993 124.773 122.820 -0.066 0.000 3.015 285 A HA 0.648 4.963 4.320 -0.009 0.000 0.293 285 A C 0.338 177.996 177.584 0.123 0.000 1.572 285 A CA -0.246 51.799 52.037 0.014 0.000 1.274 285 A CB -0.564 18.443 19.000 0.011 0.000 1.156 285 A HN 0.819 nan 8.150 nan 0.000 0.562 286 E N 1.023 121.348 120.200 0.209 0.000 2.407 286 E HA 0.724 5.068 4.350 -0.009 0.000 0.279 286 E C -1.741 175.066 176.600 0.346 0.000 1.012 286 E CA -0.939 55.626 56.400 0.274 0.000 0.800 286 E CB 1.099 30.980 29.700 0.302 0.000 1.276 286 E HN 0.260 nan 8.360 nan 0.000 0.452 287 L N 0.312 121.682 121.223 0.246 0.000 2.286 287 L HA 0.567 4.902 4.340 -0.009 0.000 0.265 287 L C -0.389 176.394 176.870 -0.146 0.000 1.012 287 L CA -0.924 53.998 54.840 0.137 0.000 0.818 287 L CB 2.124 44.365 42.059 0.304 0.000 1.337 287 L HN 0.578 nan 8.230 nan 0.000 0.438 288 Q N 0.045 119.581 119.800 -0.440 0.000 2.379 288 Q HA 0.602 4.936 4.340 -0.009 0.000 0.278 288 Q C -1.674 174.284 176.000 -0.069 0.000 1.068 288 Q CA -0.636 54.906 55.803 -0.435 0.000 0.816 288 Q CB 2.886 31.218 28.738 -0.676 0.000 1.387 288 Q HN 0.579 nan 8.270 nan 0.000 0.413 289 S N 0.840 116.493 115.700 -0.079 0.000 2.569 289 S HA 0.616 5.080 4.470 -0.009 0.000 0.280 289 S C -1.463 173.104 174.600 -0.056 0.000 1.111 289 S CA -0.771 57.493 58.200 0.107 0.000 0.887 289 S CB 2.317 65.821 63.200 0.506 0.000 1.095 289 S HN 0.592 nan 8.310 nan 0.000 0.476 290 E N 0.659 120.738 120.200 -0.201 0.000 2.352 290 E HA 0.488 4.833 4.350 -0.009 0.000 0.280 290 E C -2.117 174.177 176.600 -0.510 0.000 0.930 290 E CA -0.508 55.841 56.400 -0.085 0.000 0.765 290 E CB 1.304 31.145 29.700 0.236 0.000 1.219 290 E HN 0.615 nan 8.360 nan 0.000 0.434 291 Y N 2.383 122.833 120.300 0.249 0.000 2.391 291 Y HA 0.483 5.028 4.550 -0.009 0.000 0.341 291 Y C -0.660 175.301 175.900 0.101 0.000 0.965 291 Y CA -0.791 57.399 58.100 0.150 0.000 1.067 291 Y CB 1.512 40.072 38.460 0.166 0.000 1.199 291 Y HN 0.352 nan 8.280 nan 0.000 0.450 292 L N 4.707 126.004 121.223 0.124 0.000 2.325 292 L HA 0.662 4.997 4.340 -0.009 0.000 0.281 292 L C -0.552 176.346 176.870 0.046 0.000 1.004 292 L CA -0.189 54.673 54.840 0.036 0.000 0.823 292 L CB 1.349 43.376 42.059 -0.053 0.000 1.236 292 L HN 0.632 nan 8.230 nan 0.000 0.415 293 M N 3.326 122.960 119.600 0.056 0.000 2.690 293 M HA 0.555 5.030 4.480 -0.009 0.000 0.302 293 M C -2.512 173.807 176.300 0.031 0.000 1.234 293 M CA -1.874 53.478 55.300 0.087 0.000 0.853 293 M CB 2.492 35.186 32.600 0.157 0.000 1.748 293 M HN 0.190 nan 8.290 nan 0.000 0.469 294 P HA 0.042 nan 4.420 nan 0.000 0.262 294 P C -0.138 177.089 177.300 -0.121 0.000 1.182 294 P CA 0.300 63.343 63.100 -0.094 0.000 0.761 294 P CB 0.450 32.019 31.700 -0.219 0.000 0.795 295 R N 4.437 124.878 120.500 -0.098 0.000 2.127 295 R HA -0.195 4.139 4.340 -0.009 0.000 0.238 295 R C 1.884 178.129 176.300 -0.091 0.000 1.134 295 R CA 1.524 57.590 56.100 -0.058 0.000 0.975 295 R CB -0.236 30.046 30.300 -0.029 0.000 0.865 295 R HN 0.519 nan 8.270 nan 0.000 0.447 296 E N -0.473 119.620 120.200 -0.179 0.000 2.333 296 E HA -0.228 4.116 4.350 -0.009 0.000 0.198 296 E C 0.580 177.086 176.600 -0.157 0.000 1.007 296 E CA 1.521 57.809 56.400 -0.186 0.000 0.845 296 E CB -0.401 29.165 29.700 -0.222 0.000 0.766 296 E HN 0.691 nan 8.360 nan 0.000 0.507 297 H N 0.038 119.057 119.070 -0.086 0.000 2.526 297 H HA 0.372 4.922 4.556 -0.009 0.000 0.274 297 H C 1.965 177.083 175.328 -0.349 0.000 0.999 297 H CA -0.023 55.914 56.048 -0.186 0.000 1.157 297 H CB 0.535 30.249 29.762 -0.080 0.000 1.407 297 H HN 0.319 nan 8.280 nan 0.000 0.568 298 A N 1.342 124.038 122.820 -0.205 0.000 1.869 298 A HA -0.208 4.106 4.320 -0.009 0.000 0.218 298 A C 2.155 179.459 177.584 -0.467 0.000 1.203 298 A CA 1.443 53.264 52.037 -0.361 0.000 0.638 298 A CB -0.761 17.913 19.000 -0.543 0.000 0.831 298 A HN 0.377 nan 8.150 nan 0.000 0.450 299 L N -1.115 119.818 121.223 -0.483 0.000 2.056 299 L HA -0.180 4.155 4.340 -0.009 0.000 0.207 299 L C 3.137 179.934 176.870 -0.122 0.000 1.078 299 L CA 1.029 55.694 54.840 -0.291 0.000 0.749 299 L CB -0.625 41.337 42.059 -0.162 0.000 0.901 299 L HN 0.479 nan 8.230 nan 0.000 0.433 300 A N 0.130 122.807 122.820 -0.239 0.000 1.902 300 A HA -0.194 4.121 4.320 -0.009 0.000 0.217 300 A C 2.534 179.765 177.584 -0.588 0.000 1.181 300 A CA 1.829 53.676 52.037 -0.316 0.000 0.623 300 A CB -0.695 18.082 19.000 -0.372 0.000 0.818 300 A HN 0.409 nan 8.150 nan 0.000 0.443 301 A N -0.291 121.973 122.820 -0.927 0.000 1.877 301 A HA -0.040 4.275 4.320 -0.009 0.000 0.216 301 A C 2.171 179.650 177.584 -0.175 0.000 1.186 301 A CA 1.492 53.136 52.037 -0.654 0.000 0.620 301 A CB -0.634 18.102 19.000 -0.439 0.000 0.822 301 A HN 0.471 nan 8.150 nan 0.000 0.443 302 L N -1.337 119.816 121.223 -0.116 0.000 2.083 302 L HA -0.198 4.137 4.340 -0.009 0.000 0.209 302 L C 2.634 179.476 176.870 -0.045 0.000 1.083 302 L CA 1.243 56.112 54.840 0.048 0.000 0.752 302 L CB -0.683 41.422 42.059 0.076 0.000 0.899 302 L HN 0.485 nan 8.230 nan 0.000 0.433 303 H N -0.539 118.526 119.070 -0.008 0.000 2.395 303 H HA -0.021 4.529 4.556 -0.009 0.000 0.299 303 H C 2.267 177.585 175.328 -0.017 0.000 1.070 303 H CA 1.278 57.327 56.048 0.002 0.000 1.356 303 H CB 0.102 29.858 29.762 -0.010 0.000 1.401 303 H HN 0.350 nan 8.280 nan 0.000 0.524 304 A N 1.138 124.008 122.820 0.084 0.000 1.877 304 A HA -0.182 4.133 4.320 -0.009 0.000 0.216 304 A C 2.615 180.154 177.584 -0.076 0.000 1.186 304 A CA 1.601 53.677 52.037 0.065 0.000 0.620 304 A CB -0.621 18.501 19.000 0.204 0.000 0.822 304 A HN 0.260 nan 8.150 nan 0.000 0.443 305 M N -0.896 118.595 119.600 -0.181 0.000 2.117 305 M HA -0.161 4.313 4.480 -0.009 0.000 0.262 305 M C 1.994 177.884 176.300 -0.684 0.000 1.065 305 M CA 2.055 57.054 55.300 -0.501 0.000 1.114 305 M CB -0.639 31.576 32.600 -0.643 0.000 1.361 305 M HN 0.583 nan 8.290 nan 0.000 0.408 306 D N 0.591 120.734 120.400 -0.429 0.000 2.149 306 D HA -0.164 4.471 4.640 -0.009 0.000 0.198 306 D C 1.831 178.088 176.300 -0.071 0.000 0.990 306 D CA 1.784 55.708 54.000 -0.126 0.000 0.839 306 D CB 0.103 40.946 40.800 0.071 0.000 0.948 306 D HN 0.307 nan 8.370 nan 0.000 0.460 307 A N 0.261 123.046 122.820 -0.059 0.000 2.015 307 A HA -0.017 4.298 4.320 -0.009 0.000 0.219 307 A C 2.103 179.652 177.584 -0.058 0.000 1.163 307 A CA 1.301 53.323 52.037 -0.025 0.000 0.646 307 A CB -0.805 18.195 19.000 0.000 0.000 0.806 307 A HN 0.587 nan 8.150 nan 0.000 0.448 308 I N -2.784 117.712 120.570 -0.123 0.000 3.877 308 I HA 0.223 4.387 4.170 -0.009 0.000 0.332 308 I C 1.537 177.573 176.117 -0.135 0.000 1.525 308 I CA -0.046 61.183 61.300 -0.119 0.000 1.146 308 I CB 0.092 38.012 38.000 -0.133 0.000 1.137 308 I HN 0.277 nan 8.210 nan 0.000 0.424 309 R N 1.203 121.630 120.500 -0.121 0.000 2.120 309 R HA -0.116 4.218 4.340 -0.009 0.000 0.234 309 R C 1.206 177.542 176.300 0.060 0.000 1.123 309 R CA 1.653 57.725 56.100 -0.047 0.000 0.975 309 R CB -0.658 29.725 30.300 0.139 0.000 0.866 309 R HN 0.507 nan 8.270 nan 0.000 0.446 310 E N 0.434 120.657 120.200 0.040 0.000 2.204 310 E HA -0.105 4.240 4.350 -0.009 0.000 0.195 310 E C 1.512 178.135 176.600 0.038 0.000 0.990 310 E CA 1.682 58.112 56.400 0.050 0.000 0.821 310 E CB 0.041 29.761 29.700 0.033 0.000 0.750 310 E HN 0.442 nan 8.360 nan 0.000 0.477 311 T N 1.002 115.559 114.554 0.005 0.000 2.896 311 T HA -0.015 4.330 4.350 -0.009 0.000 0.263 311 T C 1.905 176.619 174.700 0.022 0.000 1.050 311 T CA 0.565 62.659 62.100 -0.010 0.000 1.140 311 T CB 0.020 68.858 68.868 -0.052 0.000 0.877 311 T HN 0.073 nan 8.240 nan 0.000 0.457 312 L N 0.777 122.030 121.223 0.050 0.000 2.095 312 L HA 0.080 4.415 4.340 -0.009 0.000 0.204 312 L C 3.082 180.141 176.870 0.315 0.000 1.080 312 L CA 0.953 55.903 54.840 0.184 0.000 0.759 312 L CB -0.699 41.429 42.059 0.115 0.000 0.914 312 L HN 0.199 nan 8.230 nan 0.000 0.439 313 A N 0.751 123.731 122.820 0.268 0.000 1.883 313 A HA -0.142 4.173 4.320 -0.009 0.000 0.217 313 A C 0.010 177.729 177.584 0.225 0.000 1.186 313 A CA 1.807 54.011 52.037 0.278 0.000 0.624 313 A CB -1.835 17.303 19.000 0.229 0.000 0.822 313 A HN 0.276 nan 8.150 nan 0.000 0.444 314 P HA -0.087 nan 4.420 nan 0.000 0.220 314 P C 1.072 178.458 177.300 0.143 0.000 1.148 314 P CA 1.718 64.892 63.100 0.124 0.000 0.803 314 P CB -0.083 31.663 31.700 0.078 0.000 0.782 315 V N -5.016 115.013 119.914 0.193 0.000 3.376 315 V HA 0.287 4.402 4.120 -0.009 0.000 0.313 315 V C 0.287 176.645 176.094 0.440 0.000 1.393 315 V CA -0.476 61.959 62.300 0.226 0.000 1.125 315 V CB -0.621 31.252 31.823 0.082 0.000 1.037 315 V HN -0.128 nan 8.190 nan 0.000 0.440 316 L N 1.080 122.549 121.223 0.411 0.000 2.295 316 L HA 0.515 4.850 4.340 -0.009 0.000 0.285 316 L C 1.084 178.103 176.870 0.248 0.000 1.035 316 L CA 0.477 55.561 54.840 0.406 0.000 0.806 316 L CB 1.824 44.135 42.059 0.420 0.000 1.214 316 L HN 0.183 nan 8.230 nan 0.000 0.426 317 Q N 1.667 121.585 119.800 0.197 0.000 2.107 317 Q HA 0.171 4.506 4.340 -0.009 0.000 0.195 317 Q C -0.086 175.986 176.000 0.119 0.000 0.964 317 Q CA 0.761 56.652 55.803 0.145 0.000 0.833 317 Q CB 0.495 29.320 28.738 0.145 0.000 0.910 317 Q HN 0.717 nan 8.270 nan 0.000 0.465 318 T N -1.042 113.572 114.554 0.100 0.000 2.886 318 T HA 0.279 4.623 4.350 -0.009 0.000 0.330 318 T C -2.097 172.612 174.700 0.015 0.000 1.488 318 T CA -0.628 61.527 62.100 0.091 0.000 1.054 318 T CB 1.575 70.522 68.868 0.131 0.000 1.348 318 T HN 0.292 nan 8.240 nan 0.000 0.489 319 C N 3.472 122.746 119.300 -0.043 0.000 2.351 319 C HA 0.846 5.300 4.460 -0.009 0.000 0.326 319 C C -0.349 174.535 174.990 -0.176 0.000 1.272 319 C CA -0.284 58.563 59.018 -0.285 0.000 1.650 319 C CB 0.296 27.819 27.740 -0.362 0.000 2.257 319 C HN 1.001 nan 8.230 nan 0.000 0.505 320 E N 5.282 125.345 120.200 -0.228 0.000 2.210 320 E HA 0.565 4.910 4.350 -0.009 0.000 0.266 320 E C -1.068 175.342 176.600 -0.317 0.000 0.883 320 E CA -0.596 55.542 56.400 -0.437 0.000 0.761 320 E CB 1.071 30.519 29.700 -0.421 0.000 1.156 320 E HN 0.686 nan 8.360 nan 0.000 0.412 321 I N 4.277 124.629 120.570 -0.363 0.000 2.336 321 I HA 0.461 4.626 4.170 -0.009 0.000 0.292 321 I C 0.336 176.320 176.117 -0.221 0.000 0.991 321 I CA -0.405 60.776 61.300 -0.198 0.000 1.227 321 I CB 0.984 38.895 38.000 -0.148 0.000 1.366 321 I HN 0.613 nan 8.210 nan 0.000 0.466 322 R N 2.839 123.272 120.500 -0.112 0.000 2.869 322 R HA 0.746 5.081 4.340 -0.009 0.000 0.263 322 R C -0.550 175.704 176.300 -0.078 0.000 1.066 322 R CA -0.799 55.242 56.100 -0.099 0.000 0.960 322 R CB 2.520 32.805 30.300 -0.025 0.000 1.221 322 R HN 0.724 nan 8.270 nan 0.000 0.474 323 T N -1.955 112.545 114.554 -0.091 0.000 2.908 323 T HA 0.727 5.071 4.350 -0.009 0.000 0.290 323 T C -0.674 173.960 174.700 -0.111 0.000 1.034 323 T CA -0.723 61.320 62.100 -0.094 0.000 1.010 323 T CB 1.736 70.546 68.868 -0.097 0.000 1.068 323 T HN 0.190 nan 8.240 nan 0.000 0.481 324 V N 0.950 120.791 119.914 -0.121 0.000 2.808 324 V HA 0.744 4.859 4.120 -0.009 0.000 0.308 324 V C 0.405 176.445 176.094 -0.090 0.000 1.099 324 V CA -1.271 60.959 62.300 -0.116 0.000 0.920 324 V CB 1.616 33.332 31.823 -0.178 0.000 1.014 324 V HN 1.392 nan 8.190 nan 0.000 0.425 325 A N 2.994 125.769 122.820 -0.075 0.000 2.445 325 A HA 0.722 5.036 4.320 -0.009 0.000 0.242 325 A C 0.889 178.439 177.584 -0.057 0.000 1.075 325 A CA 0.408 52.406 52.037 -0.065 0.000 0.777 325 A CB 0.290 19.256 19.000 -0.058 0.000 1.013 325 A HN 1.854 nan 8.150 nan 0.000 0.493 326 A N 2.041 124.821 122.820 -0.067 0.000 2.598 326 A HA 0.246 4.560 4.320 -0.009 0.000 0.239 326 A C 0.271 177.821 177.584 -0.057 0.000 1.032 326 A CA 0.519 52.506 52.037 -0.084 0.000 0.760 326 A CB -0.174 18.760 19.000 -0.110 0.000 0.946 326 A HN 0.825 nan 8.150 nan 0.000 0.512 327 D N 1.699 122.072 120.400 -0.044 0.000 2.168 327 D HA 0.543 5.178 4.640 -0.009 0.000 0.246 327 D C 0.888 177.223 176.300 0.057 0.000 1.050 327 D CA 0.363 54.381 54.000 0.030 0.000 0.857 327 D CB 1.733 42.586 40.800 0.088 0.000 1.169 327 D HN 0.453 nan 8.370 nan 0.000 0.453 328 A N 3.904 126.789 122.820 0.110 0.000 2.119 328 A HA -0.044 4.271 4.320 -0.009 0.000 0.216 328 A C 0.989 178.772 177.584 0.330 0.000 1.152 328 A CA 0.519 52.683 52.037 0.211 0.000 0.708 328 A CB -0.055 19.048 19.000 0.172 0.000 0.805 328 A HN 0.499 nan 8.150 nan 0.000 0.460 329 Q N -0.035 119.884 119.800 0.200 0.000 2.289 329 Q HA -0.018 4.316 4.340 -0.009 0.000 0.273 329 Q C 0.374 176.557 176.000 0.305 0.000 1.029 329 Q CA -0.246 55.592 55.803 0.058 0.000 0.896 329 Q CB 0.352 29.073 28.738 -0.028 0.000 1.182 329 Q HN 0.700 nan 8.270 nan 0.000 0.385 330 W N 2.549 123.891 121.300 0.070 0.000 2.342 330 W HA -0.154 4.501 4.660 -0.009 0.000 0.297 330 W C 1.372 177.818 176.519 -0.123 0.000 1.213 330 W CA 0.565 57.809 57.345 -0.169 0.000 1.251 330 W CB -0.419 28.973 29.460 -0.113 0.000 1.136 330 W HN 0.500 nan 8.180 nan 0.000 0.526 331 L N 0.353 121.620 121.223 0.074 0.000 2.607 331 L HA 0.139 4.474 4.340 -0.009 0.000 0.228 331 L C 1.202 178.251 176.870 0.298 0.000 1.123 331 L CA -0.074 54.730 54.840 -0.060 0.000 0.890 331 L CB -0.411 41.334 42.059 -0.524 0.000 1.103 331 L HN -0.274 nan 8.230 nan 0.000 0.468 332 S N 0.914 116.812 115.700 0.329 0.000 2.533 332 S HA 0.119 4.583 4.470 -0.009 0.000 0.282 332 S C -1.381 173.471 174.600 0.421 0.000 1.304 332 S CA -1.073 57.321 58.200 0.322 0.000 1.063 332 S CB 1.022 64.364 63.200 0.237 0.000 0.881 332 S HN -0.033 nan 8.310 nan 0.000 0.493 333 P HA 0.001 nan 4.420 nan 0.000 0.223 333 P C 0.477 177.814 177.300 0.062 0.000 1.144 333 P CA 0.963 64.134 63.100 0.118 0.000 0.783 333 P CB 0.071 31.717 31.700 -0.090 0.000 0.771 334 A N -2.090 120.774 122.820 0.074 0.000 2.370 334 A HA 0.038 4.353 4.320 -0.009 0.000 0.238 334 A C 0.265 177.893 177.584 0.073 0.000 1.289 334 A CA -0.493 51.560 52.037 0.026 0.000 0.885 334 A CB -1.502 17.481 19.000 -0.029 0.000 0.961 334 A HN 0.106 nan 8.150 nan 0.000 0.499 335 Y N 0.898 121.249 120.300 0.085 0.000 2.805 335 Y HA 0.243 4.788 4.550 -0.009 0.000 0.331 335 Y C 1.394 177.335 175.900 0.067 0.000 1.241 335 Y CA 1.056 59.228 58.100 0.121 0.000 1.546 335 Y CB 0.101 38.693 38.460 0.220 0.000 1.248 335 Y HN 0.578 nan 8.280 nan 0.000 0.559 336 G N 5.045 113.288 108.800 -0.928 0.000 2.196 336 G HA2 -0.313 3.642 3.960 -0.009 0.000 0.268 336 G HA3 -0.313 3.642 3.960 -0.009 0.000 0.268 336 G C -0.030 174.663 174.900 -0.345 0.000 0.975 336 G CA 0.548 45.118 45.100 -0.884 0.000 0.648 336 G HN 1.036 nan 8.290 nan 0.000 0.538 337 R N -0.617 119.754 120.500 -0.215 0.000 2.566 337 R HA 0.492 4.827 4.340 -0.009 0.000 0.271 337 R C -1.682 174.558 176.300 -0.100 0.000 1.071 337 R CA -0.997 55.025 56.100 -0.129 0.000 0.915 337 R CB 0.999 31.240 30.300 -0.098 0.000 1.228 337 R HN -0.051 nan 8.270 nan 0.000 0.449 338 D N 2.004 122.351 120.400 -0.089 0.000 2.488 338 D HA 0.153 4.788 4.640 -0.009 0.000 0.238 338 D C -0.482 175.774 176.300 -0.074 0.000 1.138 338 D CA 0.921 54.875 54.000 -0.077 0.000 0.873 338 D CB 1.222 41.981 40.800 -0.068 0.000 1.183 338 D HN 0.430 nan 8.370 nan 0.000 0.458 339 T N 0.989 115.500 114.554 -0.072 0.000 2.876 339 T HA 0.438 4.782 4.350 -0.009 0.000 0.289 339 T C -0.810 173.856 174.700 -0.056 0.000 1.014 339 T CA -0.628 61.430 62.100 -0.069 0.000 0.986 339 T CB 2.070 70.882 68.868 -0.092 0.000 1.021 339 T HN 0.092 nan 8.240 nan 0.000 0.458 340 V N 2.298 122.196 119.914 -0.027 0.000 2.513 340 V HA 0.880 4.994 4.120 -0.009 0.000 0.299 340 V C -0.661 175.432 176.094 -0.001 0.000 1.035 340 V CA -0.565 61.737 62.300 0.003 0.000 0.889 340 V CB 1.120 32.973 31.823 0.049 0.000 0.988 340 V HN 1.099 nan 8.190 nan 0.000 0.440 341 A N 5.488 128.300 122.820 -0.013 0.000 2.342 341 A HA 0.948 5.262 4.320 -0.009 0.000 0.323 341 A C -0.267 177.365 177.584 0.080 0.000 1.125 341 A CA -0.185 51.861 52.037 0.015 0.000 0.785 341 A CB 1.666 20.610 19.000 -0.092 0.000 1.221 341 A HN 1.826 nan 8.150 nan 0.000 0.463 342 A N 2.053 124.975 122.820 0.171 0.000 2.323 342 A HA 0.604 4.918 4.320 -0.009 0.000 0.305 342 A C -0.660 177.017 177.584 0.155 0.000 1.275 342 A CA -0.373 51.756 52.037 0.155 0.000 0.804 342 A CB 0.012 19.203 19.000 0.318 0.000 1.152 342 A HN 1.119 nan 8.150 nan 0.000 0.487 343 H N 1.526 120.499 119.070 -0.162 0.000 2.458 343 H HA 0.706 5.256 4.556 -0.009 0.000 0.330 343 H C -1.640 173.394 175.328 -0.491 0.000 1.111 343 H CA -0.661 55.301 56.048 -0.144 0.000 1.245 343 H CB 0.684 30.392 29.762 -0.091 0.000 1.456 343 H HN 0.442 nan 8.280 nan 0.000 0.488 344 F N 2.909 122.234 119.950 -1.042 0.000 2.477 344 F HA 0.276 4.798 4.527 -0.009 0.000 0.335 344 F C -0.078 174.917 175.800 -1.341 0.000 1.130 344 F CA -0.818 56.512 58.000 -1.117 0.000 0.948 344 F CB 2.127 40.240 39.000 -1.477 0.000 1.154 344 F HN 0.455 nan 8.300 nan 0.000 0.439 345 T N 2.974 117.171 114.554 -0.595 0.000 2.762 345 T HA 0.214 4.558 4.350 -0.009 0.000 0.303 345 T C -0.599 174.020 174.700 -0.136 0.000 0.977 345 T CA -0.405 61.549 62.100 -0.243 0.000 0.961 345 T CB 0.014 68.939 68.868 0.096 0.000 0.944 345 T HN 0.377 nan 8.240 nan 0.000 0.481 346 W N 2.633 123.977 121.300 0.073 0.000 2.359 346 W HA 0.524 5.178 4.660 -0.009 0.000 0.344 346 W C 0.614 177.186 176.519 0.087 0.000 1.170 346 W CA -1.415 55.984 57.345 0.090 0.000 1.296 346 W CB 0.505 30.000 29.460 0.057 0.000 1.197 346 W HN 0.455 nan 8.180 nan 0.000 0.618 347 V N -0.213 119.913 119.914 0.354 0.000 2.928 347 V HA -0.049 4.065 4.120 -0.009 0.000 0.307 347 V C 0.212 176.426 176.094 0.200 0.000 1.105 347 V CA -0.433 62.000 62.300 0.222 0.000 1.223 347 V CB 0.704 32.626 31.823 0.166 0.000 0.930 347 V HN 0.748 nan 8.190 nan 0.000 0.499 348 E N 2.595 122.884 120.200 0.149 0.000 1.802 348 E HA 0.166 4.511 4.350 -0.009 0.000 0.265 348 E C -0.714 175.931 176.600 0.076 0.000 1.168 348 E CA -0.097 56.379 56.400 0.127 0.000 1.033 348 E CB -0.097 29.670 29.700 0.111 0.000 1.095 348 E HN 0.863 nan 8.360 nan 0.000 0.436 349 D N 2.658 123.093 120.400 0.059 0.000 2.364 349 D HA 0.091 4.726 4.640 -0.009 0.000 0.251 349 D C 0.524 176.815 176.300 -0.016 0.000 1.282 349 D CA -0.294 53.717 54.000 0.019 0.000 0.927 349 D CB 0.940 41.750 40.800 0.016 0.000 1.267 349 D HN 0.192 nan 8.370 nan 0.000 0.531 350 T N 0.850 115.398 114.554 -0.009 0.000 2.665 350 T HA -0.154 4.191 4.350 -0.009 0.000 0.268 350 T C 1.897 176.558 174.700 -0.064 0.000 1.035 350 T CA 1.821 63.902 62.100 -0.032 0.000 1.151 350 T CB 0.049 68.912 68.868 -0.008 0.000 0.862 350 T HN 0.493 nan 8.240 nan 0.000 0.438 351 A N 1.198 123.990 122.820 -0.047 0.000 1.933 351 A HA 0.165 4.480 4.320 -0.009 0.000 0.218 351 A C 2.583 180.122 177.584 -0.075 0.000 1.175 351 A CA 1.823 53.827 52.037 -0.054 0.000 0.628 351 A CB -0.927 18.051 19.000 -0.036 0.000 0.814 351 A HN 0.529 nan 8.150 nan 0.000 0.444 352 A N -0.949 121.825 122.820 -0.077 0.000 1.970 352 A HA 0.159 4.473 4.320 -0.009 0.000 0.216 352 A C 2.157 179.638 177.584 -0.172 0.000 1.170 352 A CA 1.459 53.440 52.037 -0.093 0.000 0.645 352 A CB -0.540 18.425 19.000 -0.058 0.000 0.816 352 A HN 0.322 nan 8.150 nan 0.000 0.447 353 V N 0.133 119.911 119.914 -0.227 0.000 2.407 353 V HA -0.163 3.952 4.120 -0.009 0.000 0.245 353 V C 2.505 178.331 176.094 -0.446 0.000 1.041 353 V CA 1.468 63.494 62.300 -0.456 0.000 1.040 353 V CB -0.668 30.840 31.823 -0.526 0.000 0.671 353 V HN 0.551 nan 8.190 nan 0.000 0.455 354 L N 0.112 121.177 121.223 -0.264 0.000 2.043 354 L HA -0.165 4.169 4.340 -0.009 0.000 0.212 354 L C 0.027 176.788 176.870 -0.181 0.000 1.075 354 L CA 1.944 56.668 54.840 -0.193 0.000 0.752 354 L CB -1.911 40.082 42.059 -0.109 0.000 0.891 354 L HN 0.381 nan 8.230 nan 0.000 0.432 355 P HA -0.100 nan 4.420 nan 0.000 0.218 355 P C 1.886 179.081 177.300 -0.175 0.000 1.149 355 P CA 0.948 63.964 63.100 -0.140 0.000 0.817 355 P CB 0.095 31.727 31.700 -0.113 0.000 0.785 356 V N -0.564 119.196 119.914 -0.256 0.000 2.379 356 V HA -0.172 3.943 4.120 -0.009 0.000 0.245 356 V C 2.469 178.372 176.094 -0.320 0.000 1.044 356 V CA 1.509 63.628 62.300 -0.301 0.000 1.036 356 V CB -1.183 30.394 31.823 -0.410 0.000 0.664 356 V HN -0.047 nan 8.190 nan 0.000 0.453 357 V N 0.221 119.905 119.914 -0.383 0.000 2.282 357 V HA -0.328 3.786 4.120 -0.009 0.000 0.249 357 V C 2.636 178.663 176.094 -0.112 0.000 1.057 357 V CA 2.571 64.759 62.300 -0.188 0.000 1.032 357 V CB -0.772 30.989 31.823 -0.104 0.000 0.645 357 V HN 0.478 nan 8.190 nan 0.000 0.447 358 R N 0.253 120.688 120.500 -0.109 0.000 2.083 358 R HA -0.192 4.142 4.340 -0.009 0.000 0.237 358 R C 2.349 178.582 176.300 -0.112 0.000 1.137 358 R CA 1.878 57.929 56.100 -0.082 0.000 0.951 358 R CB -0.500 29.759 30.300 -0.068 0.000 0.851 358 R HN 0.385 nan 8.270 nan 0.000 0.434 359 R N 0.096 120.518 120.500 -0.131 0.000 2.081 359 R HA -0.088 4.246 4.340 -0.009 0.000 0.235 359 R C 2.011 178.214 176.300 -0.161 0.000 1.131 359 R CA 1.571 57.592 56.100 -0.131 0.000 0.960 359 R CB -0.883 29.342 30.300 -0.124 0.000 0.856 359 R HN 0.342 nan 8.270 nan 0.000 0.436 360 L N 1.006 122.107 121.223 -0.203 0.000 2.017 360 L HA -0.105 4.230 4.340 -0.009 0.000 0.208 360 L C 1.680 178.352 176.870 -0.329 0.000 1.073 360 L CA 1.977 56.654 54.840 -0.272 0.000 0.745 360 L CB -0.635 41.222 42.059 -0.337 0.000 0.894 360 L HN 0.304 nan 8.230 nan 0.000 0.432 361 E N -0.409 119.587 120.200 -0.340 0.000 2.085 361 E HA -0.268 4.077 4.350 -0.009 0.000 0.194 361 E C 2.033 178.512 176.600 -0.201 0.000 0.994 361 E CA 1.682 57.884 56.400 -0.329 0.000 0.801 361 E CB -0.190 29.405 29.700 -0.174 0.000 0.743 361 E HN 0.634 nan 8.360 nan 0.000 0.453 362 E N 0.481 120.590 120.200 -0.152 0.000 2.085 362 E HA -0.213 4.131 4.350 -0.009 0.000 0.194 362 E C 2.061 178.579 176.600 -0.136 0.000 0.994 362 E CA 1.009 57.334 56.400 -0.126 0.000 0.801 362 E CB -0.154 29.483 29.700 -0.104 0.000 0.743 362 E HN 0.252 nan 8.360 nan 0.000 0.453 363 A N 0.723 123.463 122.820 -0.133 0.000 2.015 363 A HA -0.097 4.217 4.320 -0.009 0.000 0.219 363 A C 2.003 179.559 177.584 -0.048 0.000 1.163 363 A CA 0.937 52.919 52.037 -0.091 0.000 0.646 363 A CB -0.244 18.705 19.000 -0.087 0.000 0.806 363 A HN 0.146 nan 8.150 nan 0.000 0.448 364 L N -0.877 120.298 121.223 -0.081 0.000 2.585 364 L HA 0.040 4.374 4.340 -0.009 0.000 0.226 364 L C 1.986 178.795 176.870 -0.101 0.000 1.113 364 L CA -0.097 54.759 54.840 0.027 0.000 0.876 364 L CB 0.022 42.064 42.059 -0.027 0.000 1.072 364 L HN 0.147 nan 8.230 nan 0.000 0.468 365 V N 1.264 121.067 119.914 -0.185 0.000 2.324 365 V HA -0.203 3.912 4.120 -0.009 0.000 0.250 365 V C -0.150 175.747 176.094 -0.329 0.000 1.060 365 V CA 2.053 64.232 62.300 -0.201 0.000 1.042 365 V CB -1.386 30.337 31.823 -0.167 0.000 0.650 365 V HN 0.395 nan 8.190 nan 0.000 0.450 366 P HA -0.071 nan 4.420 nan 0.000 0.228 366 P C 0.690 177.438 177.300 -0.921 0.000 1.151 366 P CA 1.188 63.788 63.100 -0.834 0.000 0.770 366 P CB -0.095 30.874 31.700 -1.217 0.000 0.786 367 F N -1.790 118.058 119.950 -0.169 0.000 2.668 367 F HA 0.561 5.083 4.527 -0.009 0.000 0.301 367 F C 1.141 176.953 175.800 0.020 0.000 1.106 367 F CA -0.918 56.980 58.000 -0.171 0.000 1.289 367 F CB -0.805 38.136 39.000 -0.098 0.000 1.006 367 F HN -0.212 nan 8.300 nan 0.000 0.535 368 A N 0.490 123.337 122.820 0.045 0.000 2.791 368 A HA -0.017 4.297 4.320 -0.009 0.000 0.292 368 A C 0.840 178.451 177.584 0.045 0.000 1.487 368 A CA 0.415 52.474 52.037 0.036 0.000 0.760 368 A CB -2.042 17.001 19.000 0.071 0.000 1.031 368 A HN 0.776 nan 8.150 nan 0.000 0.503 369 A N 0.144 123.004 122.820 0.067 0.000 2.492 369 A HA 0.536 4.850 4.320 -0.009 0.000 0.254 369 A C 0.687 178.296 177.584 0.041 0.000 1.091 369 A CA 0.241 52.340 52.037 0.104 0.000 0.768 369 A CB 0.067 19.162 19.000 0.158 0.000 1.028 369 A HN 0.664 nan 8.150 nan 0.000 0.498 370 R N 3.647 124.138 120.500 -0.016 0.000 2.294 370 R HA 0.414 4.749 4.340 -0.009 0.000 0.319 370 R C -2.645 173.554 176.300 -0.169 0.000 0.984 370 R CA -1.766 54.240 56.100 -0.157 0.000 0.861 370 R CB 1.506 31.650 30.300 -0.260 0.000 1.104 370 R HN 0.530 nan 8.270 nan 0.000 0.451 371 P HA -0.038 nan 4.420 nan 0.000 0.278 371 P C -0.872 176.123 177.300 -0.508 0.000 1.238 371 P CA -0.215 62.594 63.100 -0.484 0.000 0.794 371 P CB 0.662 31.939 31.700 -0.705 0.000 0.955 372 H N 2.081 120.963 119.070 -0.313 0.000 3.046 372 H HA -0.025 4.525 4.556 -0.009 0.000 0.303 372 H C 0.637 176.024 175.328 0.098 0.000 1.002 372 H CA 0.546 56.546 56.048 -0.079 0.000 1.460 372 H CB 0.101 29.915 29.762 0.087 0.000 1.493 372 H HN 0.503 nan 8.280 nan 0.000 0.559 373 W N 2.858 124.375 121.300 0.361 0.000 2.364 373 W HA -0.058 4.596 4.660 -0.009 0.000 0.281 373 W C 2.281 179.190 176.519 0.649 0.000 1.219 373 W CA 0.659 58.328 57.345 0.539 0.000 1.220 373 W CB 0.184 29.836 29.460 0.320 0.000 1.127 373 W HN 0.739 nan 8.180 nan 0.000 0.556 374 G N -0.222 109.126 108.800 0.912 0.000 2.985 374 G HA2 0.071 4.026 3.960 -0.009 0.000 0.209 374 G HA3 0.071 4.026 3.960 -0.009 0.000 0.209 374 G C 0.468 175.663 174.900 0.492 0.000 1.165 374 G CA -0.151 45.283 45.100 0.558 0.000 0.776 374 G HN 0.074 nan 8.290 nan 0.000 0.541 375 K N -0.693 120.025 120.400 0.531 0.000 2.316 375 K HA 0.550 4.864 4.320 -0.009 0.000 0.234 375 K C -0.683 176.184 176.600 0.444 0.000 1.054 375 K CA -0.967 55.563 56.287 0.406 0.000 0.879 375 K CB 2.222 34.823 32.500 0.168 0.000 1.252 375 K HN -0.158 nan 8.250 nan 0.000 0.471 376 V N 2.839 122.949 119.914 0.327 0.000 2.521 376 V HA 0.167 4.281 4.120 -0.009 0.000 0.286 376 V C -0.502 175.796 176.094 0.341 0.000 1.034 376 V CA 0.374 62.823 62.300 0.249 0.000 1.045 376 V CB -1.006 30.960 31.823 0.238 0.000 0.974 376 V HN 0.611 nan 8.190 nan 0.000 0.480 377 F N 1.663 121.752 119.950 0.231 0.000 2.668 377 F HA 0.683 5.205 4.527 -0.009 0.000 0.309 377 F C 0.183 176.085 175.800 0.170 0.000 1.117 377 F CA -0.615 57.521 58.000 0.227 0.000 0.951 377 F CB 1.850 40.976 39.000 0.211 0.000 1.323 377 F HN 0.275 nan 8.300 nan 0.000 0.451 378 T N -1.622 113.152 114.554 0.367 0.000 3.231 378 T HA 0.320 4.664 4.350 -0.009 0.000 0.292 378 T C -0.284 174.558 174.700 0.237 0.000 1.001 378 T CA -0.140 62.080 62.100 0.200 0.000 0.920 378 T CB -0.509 68.413 68.868 0.090 0.000 1.140 378 T HN 0.515 nan 8.240 nan 0.000 0.525 379 V N 4.001 124.138 119.914 0.373 0.000 2.493 379 V HA 0.207 4.322 4.120 -0.009 0.000 0.292 379 V C -1.942 174.268 176.094 0.194 0.000 1.016 379 V CA -1.259 61.175 62.300 0.222 0.000 1.097 379 V CB -0.053 31.864 31.823 0.156 0.000 0.947 379 V HN 0.371 nan 8.190 nan 0.000 0.479 380 P HA 0.085 nan 4.420 nan 0.000 0.266 380 P C 0.722 178.083 177.300 0.101 0.000 1.195 380 P CA 0.254 63.409 63.100 0.091 0.000 0.768 380 P CB 0.680 32.413 31.700 0.055 0.000 0.838 381 A N 3.809 126.686 122.820 0.095 0.000 1.873 381 A HA -0.181 4.133 4.320 -0.009 0.000 0.218 381 A C 2.326 179.965 177.584 0.091 0.000 1.193 381 A CA 2.408 54.504 52.037 0.098 0.000 0.629 381 A CB -1.854 17.189 19.000 0.073 0.000 0.826 381 A HN 0.641 nan 8.150 nan 0.000 0.447 382 G N -1.044 107.797 108.800 0.068 0.000 2.422 382 G HA2 -0.231 3.724 3.960 -0.009 0.000 0.218 382 G HA3 -0.231 3.724 3.960 -0.009 0.000 0.218 382 G C 1.488 176.424 174.900 0.061 0.000 1.146 382 G CA 1.083 46.219 45.100 0.060 0.000 0.769 382 G HN 0.680 nan 8.290 nan 0.000 0.547 383 E N -0.421 119.811 120.200 0.053 0.000 2.110 383 E HA -0.103 4.242 4.350 -0.009 0.000 0.193 383 E C 2.367 178.999 176.600 0.055 0.000 0.988 383 E CA 0.642 57.066 56.400 0.040 0.000 0.804 383 E CB -0.141 29.576 29.700 0.029 0.000 0.745 383 E HN 0.305 nan 8.360 nan 0.000 0.458 384 L N 1.446 122.719 121.223 0.084 0.000 2.027 384 L HA -0.135 4.200 4.340 -0.009 0.000 0.206 384 L C 2.200 179.200 176.870 0.216 0.000 1.074 384 L CA 1.687 56.597 54.840 0.117 0.000 0.745 384 L CB -0.394 41.741 42.059 0.127 0.000 0.898 384 L HN 0.012 nan 8.230 nan 0.000 0.433 385 R N -0.474 120.140 120.500 0.190 0.000 2.105 385 R HA -0.129 4.206 4.340 -0.009 0.000 0.239 385 R C 2.111 178.517 176.300 0.178 0.000 1.135 385 R CA 1.250 57.472 56.100 0.203 0.000 0.967 385 R CB -0.700 29.679 30.300 0.132 0.000 0.861 385 R HN 0.507 nan 8.270 nan 0.000 0.442 386 A N 0.944 123.829 122.820 0.109 0.000 2.121 386 A HA -0.060 4.255 4.320 -0.009 0.000 0.218 386 A C 1.924 179.528 177.584 0.034 0.000 1.154 386 A CA 0.926 53.000 52.037 0.063 0.000 0.679 386 A CB -0.281 18.738 19.000 0.033 0.000 0.795 386 A HN 0.194 nan 8.150 nan 0.000 0.458 387 L N -2.004 119.231 121.223 0.020 0.000 2.591 387 L HA 0.100 4.435 4.340 -0.009 0.000 0.228 387 L C -0.309 176.352 176.870 -0.347 0.000 1.133 387 L CA 0.108 54.851 54.840 -0.161 0.000 0.880 387 L CB -0.072 41.828 42.059 -0.266 0.000 1.033 387 L HN 0.363 nan 8.230 nan 0.000 0.450 388 Y N -0.596 119.728 120.300 0.039 0.000 2.555 388 Y HA 0.286 4.831 4.550 -0.009 0.000 0.326 388 Y C -1.559 174.317 175.900 -0.041 0.000 0.984 388 Y CA -2.112 55.999 58.100 0.018 0.000 1.298 388 Y CB 0.858 39.351 38.460 0.055 0.000 1.094 388 Y HN -0.123 nan 8.280 nan 0.000 0.500 389 P HA -0.149 nan 4.420 nan 0.000 0.216 389 P C 0.673 177.911 177.300 -0.103 0.000 1.150 389 P CA 1.617 64.710 63.100 -0.011 0.000 0.843 389 P CB 0.304 32.042 31.700 0.064 0.000 0.787 390 R N -1.357 119.003 120.500 -0.234 0.000 2.552 390 R HA 0.188 4.523 4.340 -0.009 0.000 0.314 390 R C 1.416 177.609 176.300 -0.179 0.000 1.041 390 R CA -0.360 55.522 56.100 -0.364 0.000 1.076 390 R CB -0.409 29.427 30.300 -0.774 0.000 1.290 390 R HN 0.131 nan 8.270 nan 0.000 0.563 391 L N 1.195 122.411 121.223 -0.012 0.000 2.042 391 L HA -0.139 4.195 4.340 -0.009 0.000 0.210 391 L C 2.198 179.125 176.870 0.095 0.000 1.076 391 L CA 2.021 56.914 54.840 0.089 0.000 0.749 391 L CB -0.454 41.676 42.059 0.118 0.000 0.893 391 L HN 0.211 nan 8.230 nan 0.000 0.432 392 A N -0.992 121.835 122.820 0.012 0.000 1.933 392 A HA -0.214 4.100 4.320 -0.009 0.000 0.218 392 A C 1.989 179.550 177.584 -0.037 0.000 1.175 392 A CA 1.819 53.855 52.037 -0.002 0.000 0.628 392 A CB -0.781 18.203 19.000 -0.027 0.000 0.814 392 A HN 0.528 nan 8.150 nan 0.000 0.444 393 D N -1.055 119.253 120.400 -0.153 0.000 2.117 393 D HA -0.140 4.495 4.640 -0.009 0.000 0.197 393 D C 1.601 177.895 176.300 -0.011 0.000 0.987 393 D CA 1.229 55.064 54.000 -0.276 0.000 0.829 393 D CB -0.466 39.834 40.800 -0.833 0.000 0.961 393 D HN 0.471 nan 8.370 nan 0.000 0.460 394 F N 1.610 121.589 119.950 0.048 0.000 2.095 394 F HA -0.096 4.425 4.527 -0.009 0.000 0.298 394 F C 2.297 178.175 175.800 0.130 0.000 1.104 394 F CA 2.028 60.203 58.000 0.291 0.000 1.232 394 F CB -0.535 38.605 39.000 0.235 0.000 0.987 394 F HN -0.024 nan 8.300 nan 0.000 0.475 395 G N -0.418 108.438 108.800 0.093 0.000 2.442 395 G HA2 -0.239 3.715 3.960 -0.009 0.000 0.219 395 G HA3 -0.239 3.715 3.960 -0.009 0.000 0.219 395 G C 1.810 176.657 174.900 -0.087 0.000 1.141 395 G CA 0.825 45.915 45.100 -0.015 0.000 0.763 395 G HN 0.631 nan 8.290 nan 0.000 0.554 396 A N 0.418 123.208 122.820 -0.050 0.000 1.902 396 A HA 0.052 4.367 4.320 -0.009 0.000 0.217 396 A C 2.349 179.895 177.584 -0.063 0.000 1.181 396 A CA 1.697 53.709 52.037 -0.041 0.000 0.623 396 A CB -0.437 18.550 19.000 -0.021 0.000 0.818 396 A HN 0.451 nan 8.150 nan 0.000 0.443 397 L N -0.215 120.959 121.223 -0.082 0.000 2.017 397 L HA -0.046 4.289 4.340 -0.009 0.000 0.208 397 L C 2.679 179.417 176.870 -0.220 0.000 1.073 397 L CA 2.260 57.034 54.840 -0.109 0.000 0.745 397 L CB -0.844 41.179 42.059 -0.058 0.000 0.894 397 L HN 0.336 nan 8.230 nan 0.000 0.432 398 A N -0.466 122.111 122.820 -0.405 0.000 1.908 398 A HA -0.111 4.203 4.320 -0.009 0.000 0.218 398 A C 2.345 179.850 177.584 -0.132 0.000 1.181 398 A CA 1.659 53.503 52.037 -0.322 0.000 0.627 398 A CB -1.659 17.104 19.000 -0.395 0.000 0.818 398 A HN 0.547 nan 8.150 nan 0.000 0.445 399 G N -0.734 108.003 108.800 -0.104 0.000 2.422 399 G HA2 0.017 3.971 3.960 -0.009 0.000 0.218 399 G HA3 0.017 3.971 3.960 -0.009 0.000 0.218 399 G C 1.680 176.562 174.900 -0.031 0.000 1.146 399 G CA 1.440 46.512 45.100 -0.045 0.000 0.769 399 G HN 0.794 nan 8.290 nan 0.000 0.547 400 A N 0.368 123.164 122.820 -0.040 0.000 1.872 400 A HA 0.230 4.545 4.320 -0.009 0.000 0.214 400 A C 2.360 179.935 177.584 -0.016 0.000 1.187 400 A CA 0.987 53.011 52.037 -0.021 0.000 0.614 400 A CB -0.309 18.681 19.000 -0.016 0.000 0.826 400 A HN 0.328 nan 8.150 nan 0.000 0.442 401 L N -1.228 119.976 121.223 -0.030 0.000 2.341 401 L HA 0.042 4.377 4.340 -0.009 0.000 0.214 401 L C 0.423 177.308 176.870 0.025 0.000 1.115 401 L CA 0.862 55.692 54.840 -0.016 0.000 0.820 401 L CB 0.112 42.141 42.059 -0.049 0.000 0.944 401 L HN 0.340 nan 8.230 nan 0.000 0.452 402 D N -1.052 119.366 120.400 0.030 0.000 2.846 402 D HA 0.124 4.759 4.640 -0.009 0.000 0.279 402 D C -1.772 174.552 176.300 0.039 0.000 1.222 402 D CA -1.504 52.545 54.000 0.082 0.000 0.769 402 D CB 0.801 41.707 40.800 0.177 0.000 1.299 402 D HN -0.162 nan 8.370 nan 0.000 0.537 403 P HA -0.091 nan 4.420 nan 0.000 0.218 403 P C 1.060 178.363 177.300 0.006 0.000 1.148 403 P CA 0.782 63.886 63.100 0.008 0.000 0.822 403 P CB 0.263 31.966 31.700 0.006 0.000 0.784 404 A N -0.668 122.154 122.820 0.003 0.000 2.238 404 A HA 0.412 4.727 4.320 -0.009 0.000 0.208 404 A C 1.580 179.157 177.584 -0.011 0.000 1.177 404 A CA 0.659 52.691 52.037 -0.008 0.000 0.804 404 A CB -1.290 17.698 19.000 -0.022 0.000 0.823 404 A HN 0.252 nan 8.150 nan 0.000 0.482 405 G N 0.344 109.148 108.800 0.006 0.000 2.273 405 G HA2 -0.356 3.598 3.960 -0.009 0.000 0.280 405 G HA3 -0.356 3.598 3.960 -0.009 0.000 0.280 405 G C 0.803 175.682 174.900 -0.035 0.000 1.047 405 G CA 0.950 46.060 45.100 0.017 0.000 0.869 405 G HN 0.662 nan 8.290 nan 0.000 0.502 406 K N -0.889 119.442 120.400 -0.116 0.000 2.074 406 K HA -0.069 4.245 4.320 -0.009 0.000 0.209 406 K C 1.590 177.916 176.600 -0.456 0.000 1.048 406 K CA 1.959 58.041 56.287 -0.343 0.000 0.926 406 K CB -0.198 31.965 32.500 -0.561 0.000 0.713 406 K HN 0.450 nan 8.250 nan 0.000 0.444 407 F N 0.363 120.313 119.950 -0.000 0.000 2.693 407 F HA 0.138 4.660 4.527 -0.009 0.000 0.303 407 F C 0.300 176.113 175.800 0.021 0.000 1.097 407 F CA 0.027 58.029 58.000 0.003 0.000 1.330 407 F CB 0.488 39.486 39.000 -0.003 0.000 1.067 407 F HN -0.246 nan 8.300 nan 0.000 0.565 408 T N 2.917 117.549 114.554 0.131 0.000 2.727 408 T HA 0.181 4.526 4.350 -0.009 0.000 0.298 408 T C 0.282 175.036 174.700 0.089 0.000 0.942 408 T CA -0.612 61.558 62.100 0.117 0.000 0.997 408 T CB 0.094 69.018 68.868 0.093 0.000 0.917 408 T HN 0.176 nan 8.240 nan 0.000 0.487 409 N N 2.505 121.276 118.700 0.118 0.000 2.643 409 N HA 0.497 5.232 4.740 -0.009 0.000 0.305 409 N C 1.463 177.058 175.510 0.143 0.000 1.283 409 N CA -0.629 52.489 53.050 0.113 0.000 0.946 409 N CB 0.057 38.614 38.487 0.117 0.000 1.149 409 N HN 0.333 nan 8.380 nan 0.000 0.600 410 A N -0.272 122.634 122.820 0.145 0.000 1.908 410 A HA -0.112 4.203 4.320 -0.009 0.000 0.218 410 A C 2.002 179.694 177.584 0.180 0.000 1.181 410 A CA 1.158 53.277 52.037 0.137 0.000 0.627 410 A CB -1.231 17.841 19.000 0.121 0.000 0.818 410 A HN 0.621 nan 8.150 nan 0.000 0.445 411 F N 0.625 120.626 119.950 0.085 0.000 2.046 411 F HA -0.210 4.312 4.527 -0.009 0.000 0.297 411 F C 2.285 178.144 175.800 0.098 0.000 1.123 411 F CA 2.312 60.379 58.000 0.112 0.000 1.199 411 F CB -0.218 38.854 39.000 0.120 0.000 0.972 411 F HN 0.042 nan 8.300 nan 0.000 0.474 412 V N 0.758 120.901 119.914 0.381 0.000 2.427 412 V HA -0.277 3.838 4.120 -0.009 0.000 0.248 412 V C 2.461 178.622 176.094 0.112 0.000 1.051 412 V CA 2.132 64.561 62.300 0.214 0.000 1.048 412 V CB -0.816 31.127 31.823 0.201 0.000 0.666 412 V HN 0.326 nan 8.190 nan 0.000 0.456 413 R N 0.454 121.020 120.500 0.111 0.000 2.105 413 R HA -0.147 4.187 4.340 -0.009 0.000 0.239 413 R C 2.336 178.671 176.300 0.059 0.000 1.135 413 R CA 1.741 57.889 56.100 0.080 0.000 0.967 413 R CB -0.721 29.623 30.300 0.073 0.000 0.861 413 R HN 0.535 nan 8.270 nan 0.000 0.442 414 G N -0.332 108.493 108.800 0.042 0.000 2.432 414 G HA2 -0.195 3.759 3.960 -0.009 0.000 0.219 414 G HA3 -0.195 3.759 3.960 -0.009 0.000 0.219 414 G C 1.311 176.237 174.900 0.043 0.000 1.135 414 G CA 0.926 46.044 45.100 0.031 0.000 0.767 414 G HN 0.246 nan 8.290 nan 0.000 0.550 415 V N 0.613 120.542 119.914 0.025 0.000 2.488 415 V HA 0.051 4.165 4.120 -0.009 0.000 0.246 415 V C 2.556 178.687 176.094 0.062 0.000 1.046 415 V CA 0.939 63.258 62.300 0.031 0.000 1.053 415 V CB -0.221 31.539 31.823 -0.106 0.000 0.679 415 V HN 0.313 nan 8.190 nan 0.000 0.458 416 L N 0.052 121.322 121.223 0.078 0.000 2.591 416 L HA 0.283 4.618 4.340 -0.009 0.000 0.228 416 L C 1.421 178.335 176.870 0.074 0.000 1.133 416 L CA -0.045 54.855 54.840 0.100 0.000 0.880 416 L CB -0.504 41.623 42.059 0.112 0.000 1.033 416 L HN 0.315 nan 8.230 nan 0.000 0.450 417 A N 0.000 122.859 122.820 0.064 0.000 2.254 417 A HA 0.000 4.315 4.320 -0.009 0.000 0.244 417 A CA 0.000 52.068 52.037 0.052 0.000 0.836 417 A CB 0.000 19.029 19.000 0.049 0.000 0.831 417 A HN 0.000 nan 8.150 nan 0.000 0.486