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 2vw8_1_A DATA FIRST_RESID -1 DATA SEQUENCE GSMLRLSAPG QLDDDLCLLG DVQVPVFLLR LGEASWALVE GGISRDAELV DATA SEQUENCE WADLCRWVAD PSQVHYWLIT HKHYDHCGLL PYLCPRLPNV QVLASERTCQ DATA SEQUENCE AWKSESAVRV VERLNRQLLR AEQRLPEACA WDALPVRAVA DGEWLELGPR DATA SEQUENCE HRLQVIEAHG HSDDHVVFYD VRRRRLFCGD ALGEFDEAEG VWRPLVFDDM DATA SEQUENCE EAYLESLERL QRLPTLLQLI PGHGGLLRGR LAADGAESAY TECLRLCRRL DATA SEQUENCE LWRQSMGESL DELSEELHRA WGGQSVDFLP GELHLGSMRR MLEILSRQAL 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 -1 G HA2 0.000 nan 3.960 nan 0.000 0.244 -1 G HA3 0.000 3.972 3.960 0.020 0.000 0.244 -1 G C 0.000 174.910 174.900 0.017 0.000 0.946 -1 G CA 0.000 45.110 45.100 0.016 0.000 0.502 0 S N -0.013 115.696 115.700 0.015 0.000 2.523 0 S HA 0.634 5.116 4.470 0.020 0.000 0.275 0 S C 0.124 174.734 174.600 0.016 0.000 1.281 0 S CA -0.170 58.038 58.200 0.014 0.000 1.050 0 S CB 0.157 63.364 63.200 0.012 0.000 0.937 0 S HN 0.598 nan 8.310 nan 0.000 0.492 1 M N 4.753 124.363 119.600 0.016 0.000 2.644 1 M HA 0.419 4.911 4.480 0.020 0.000 0.304 1 M C -0.749 175.556 176.300 0.009 0.000 1.215 1 M CA -0.702 54.609 55.300 0.019 0.000 0.871 1 M CB 1.750 34.366 32.600 0.026 0.000 1.740 1 M HN 0.666 nan 8.290 nan 0.000 0.464 2 L N 1.734 122.962 121.223 0.007 0.000 2.645 2 L HA 0.289 4.641 4.340 0.020 0.000 0.234 2 L C 0.373 177.213 176.870 -0.050 0.000 1.165 2 L CA 0.155 54.987 54.840 -0.013 0.000 0.944 2 L CB -0.375 41.684 42.059 -0.000 0.000 1.149 2 L HN 0.504 nan 8.230 nan 0.000 0.446 3 R N 0.820 121.297 120.500 -0.039 0.000 2.574 3 R HA 0.566 4.918 4.340 0.020 0.000 0.288 3 R C -1.520 174.768 176.300 -0.020 0.000 1.004 3 R CA -0.575 55.483 56.100 -0.069 0.000 0.895 3 R CB 1.476 31.725 30.300 -0.085 0.000 1.191 3 R HN 0.052 nan 8.270 nan 0.000 0.444 4 L N 3.690 124.904 121.223 -0.016 0.000 2.287 4 L HA 0.439 4.791 4.340 0.020 0.000 0.287 4 L C -0.002 176.895 176.870 0.046 0.000 1.022 4 L CA -0.509 54.343 54.840 0.019 0.000 0.814 4 L CB 2.007 44.079 42.059 0.021 0.000 1.217 4 L HN 0.852 nan 8.230 nan 0.000 0.420 5 S N 1.016 116.750 115.700 0.057 0.000 2.828 5 S HA 0.620 5.101 4.470 0.020 0.000 0.240 5 S C -0.371 174.271 174.600 0.069 0.000 0.912 5 S CA -0.510 57.734 58.200 0.073 0.000 1.100 5 S CB 0.924 64.167 63.200 0.071 0.000 1.271 5 S HN 0.580 nan 8.310 nan 0.000 0.476 6 A N 1.743 124.603 122.820 0.068 0.000 2.374 6 A HA 0.878 5.210 4.320 0.020 0.000 0.305 6 A C -3.128 174.497 177.584 0.067 0.000 1.053 6 A CA -1.862 50.212 52.037 0.062 0.000 0.726 6 A CB 0.614 19.650 19.000 0.059 0.000 1.229 6 A HN 0.281 nan 8.150 nan 0.000 0.431 7 P HA 0.418 nan 4.420 nan 0.000 0.264 7 P C 0.753 178.125 177.300 0.121 0.000 1.183 7 P CA 1.748 64.890 63.100 0.069 0.000 0.763 7 P CB 0.658 32.391 31.700 0.056 0.000 0.807 8 G N 1.371 110.271 108.800 0.168 0.000 2.306 8 G HA2 -0.095 3.877 3.960 0.020 0.000 0.262 8 G HA3 -0.095 3.877 3.960 0.020 0.000 0.262 8 G C -1.164 173.810 174.900 0.124 0.000 1.263 8 G CA -0.862 44.416 45.100 0.296 0.000 1.088 8 G HN 0.626 nan 8.290 nan 0.000 0.489 9 Q N -0.165 119.715 119.800 0.133 0.000 2.313 9 Q HA 0.548 4.900 4.340 0.020 0.000 0.266 9 Q C 1.050 177.057 176.000 0.012 0.000 0.989 9 Q CA -0.085 55.692 55.803 -0.043 0.000 0.890 9 Q CB 0.492 29.249 28.738 0.032 0.000 1.200 9 Q HN 0.481 nan 8.270 nan 0.000 0.396 10 L N 2.082 123.299 121.223 -0.009 0.000 2.537 10 L HA 0.374 4.726 4.340 0.020 0.000 0.224 10 L C 0.333 177.204 176.870 0.000 0.000 1.065 10 L CA 0.043 54.895 54.840 0.020 0.000 0.860 10 L CB 0.453 42.543 42.059 0.052 0.000 1.086 10 L HN 0.631 nan 8.230 nan 0.000 0.482 11 D N -1.285 119.106 120.400 -0.014 0.000 2.665 11 D HA 0.034 4.686 4.640 0.020 0.000 0.287 11 D C -0.559 175.729 176.300 -0.019 0.000 1.266 11 D CA -0.214 53.777 54.000 -0.015 0.000 0.830 11 D CB 1.368 42.157 40.800 -0.019 0.000 1.356 11 D HN -0.026 nan 8.370 nan 0.000 0.437 12 D N -0.554 119.839 120.400 -0.012 0.000 2.348 12 D HA -0.117 4.535 4.640 0.020 0.000 0.216 12 D C 0.728 177.018 176.300 -0.017 0.000 0.970 12 D CA 0.871 54.865 54.000 -0.009 0.000 0.889 12 D CB -0.027 40.772 40.800 -0.003 0.000 0.912 12 D HN 0.457 nan 8.370 nan 0.000 0.524 13 D N -0.529 119.868 120.400 -0.004 0.000 2.433 13 D HA 0.116 4.768 4.640 0.020 0.000 0.211 13 D C 0.064 176.367 176.300 0.005 0.000 1.114 13 D CA -0.502 53.507 54.000 0.015 0.000 0.837 13 D CB 0.039 40.924 40.800 0.142 0.000 0.984 13 D HN 0.190 nan 8.370 nan 0.000 0.505 14 L N 0.853 122.062 121.223 -0.024 0.000 2.436 14 L HA 0.502 4.854 4.340 0.020 0.000 0.268 14 L C -1.756 175.061 176.870 -0.089 0.000 0.974 14 L CA -0.451 54.391 54.840 0.004 0.000 0.826 14 L CB 2.015 44.112 42.059 0.064 0.000 1.291 14 L HN 0.027 nan 8.230 nan 0.000 0.406 15 C N 3.902 123.126 119.300 -0.126 0.000 2.707 15 C HA 0.616 5.088 4.460 0.020 0.000 0.313 15 C C -0.316 174.659 174.990 -0.024 0.000 1.209 15 C CA -1.182 57.693 59.018 -0.239 0.000 1.635 15 C CB 1.718 28.994 27.740 -0.775 0.000 2.206 15 C HN 0.871 nan 8.230 nan 0.000 0.485 16 L N 2.825 124.042 121.223 -0.009 0.000 2.272 16 L HA 0.648 5.000 4.340 0.020 0.000 0.289 16 L C -1.030 175.781 176.870 -0.098 0.000 1.032 16 L CA -0.174 54.619 54.840 -0.080 0.000 0.810 16 L CB 0.398 42.456 42.059 -0.003 0.000 1.205 16 L HN 0.608 nan 8.230 nan 0.000 0.422 17 L N 5.434 126.547 121.223 -0.183 0.000 2.331 17 L HA 0.770 5.122 4.340 0.020 0.000 0.275 17 L C 0.926 177.723 176.870 -0.122 0.000 1.022 17 L CA -0.128 54.649 54.840 -0.104 0.000 0.812 17 L CB 1.350 43.340 42.059 -0.116 0.000 1.257 17 L HN 0.888 nan 8.230 nan 0.000 0.435 18 G N 2.172 110.939 108.800 -0.055 0.000 2.509 18 G HA2 -0.268 3.704 3.960 0.020 0.000 0.259 18 G HA3 -0.268 3.704 3.960 0.020 0.000 0.259 18 G C -0.651 174.226 174.900 -0.039 0.000 1.169 18 G CA -0.011 45.063 45.100 -0.044 0.000 0.953 18 G HN 0.715 nan 8.290 nan 0.000 0.563 19 D N 0.092 120.467 120.400 -0.042 0.000 2.249 19 D HA 0.449 5.101 4.640 0.020 0.000 0.246 19 D C 1.507 177.785 176.300 -0.036 0.000 1.114 19 D CA 0.327 54.316 54.000 -0.018 0.000 0.854 19 D CB 1.515 42.315 40.800 0.000 0.000 1.132 19 D HN 0.778 nan 8.370 nan 0.000 0.461 20 V N 4.335 124.251 119.914 0.002 0.000 2.688 20 V HA -0.251 3.881 4.120 0.020 0.000 0.256 20 V C 1.769 177.895 176.094 0.054 0.000 1.084 20 V CA 2.023 64.338 62.300 0.025 0.000 1.103 20 V CB -0.257 31.604 31.823 0.063 0.000 0.688 20 V HN 0.592 nan 8.190 nan 0.000 0.480 21 Q N -0.479 119.353 119.800 0.052 0.000 2.172 21 Q HA 0.027 4.379 4.340 0.020 0.000 0.200 21 Q C 0.555 176.499 176.000 -0.093 0.000 0.964 21 Q CA 1.358 57.200 55.803 0.065 0.000 0.855 21 Q CB 0.242 29.062 28.738 0.138 0.000 0.918 21 Q HN 0.603 nan 8.270 nan 0.000 0.444 22 V N 2.160 121.976 119.914 -0.163 0.000 2.464 22 V HA 0.235 4.367 4.120 0.020 0.000 0.255 22 V C -2.442 173.534 176.094 -0.196 0.000 0.946 22 V CA -1.329 60.821 62.300 -0.251 0.000 0.988 22 V CB 0.742 32.353 31.823 -0.354 0.000 1.210 22 V HN 0.083 nan 8.190 nan 0.000 0.523 23 P HA 0.391 nan 4.420 nan 0.000 0.277 23 P C -0.629 176.423 177.300 -0.412 0.000 1.240 23 P CA -0.151 62.735 63.100 -0.357 0.000 0.798 23 P CB 2.387 33.764 31.700 -0.538 0.000 0.979 24 V N 2.790 122.446 119.914 -0.429 0.000 2.459 24 V HA 0.353 4.485 4.120 0.020 0.000 0.295 24 V C -0.045 175.750 176.094 -0.498 0.000 1.029 24 V CA -0.412 61.705 62.300 -0.306 0.000 0.874 24 V CB 0.745 32.495 31.823 -0.123 0.000 0.985 24 V HN 0.356 nan 8.190 nan 0.000 0.438 25 F N 4.612 124.562 119.950 0.001 0.000 2.404 25 F HA 0.622 5.159 4.527 0.018 0.000 0.339 25 F C -0.099 175.647 175.800 -0.091 0.000 1.105 25 F CA -0.635 57.368 58.000 0.005 0.000 1.087 25 F CB 1.600 40.699 39.000 0.163 0.000 1.143 25 F HN 0.298 nan 8.300 nan 0.000 0.491 26 L N 4.870 126.129 121.223 0.060 0.000 2.305 26 L HA 0.568 4.920 4.340 0.020 0.000 0.284 26 L C -1.328 175.581 176.870 0.065 0.000 1.013 26 L CA -0.391 54.440 54.840 -0.015 0.000 0.819 26 L CB 0.938 42.915 42.059 -0.136 0.000 1.227 26 L HN 0.506 nan 8.230 nan 0.000 0.417 27 L N 5.248 126.506 121.223 0.059 0.000 2.296 27 L HA 0.553 4.905 4.340 0.020 0.000 0.286 27 L C 0.062 176.874 176.870 -0.097 0.000 1.023 27 L CA -0.633 54.187 54.840 -0.034 0.000 0.812 27 L CB 1.533 43.494 42.059 -0.163 0.000 1.223 27 L HN 0.611 nan 8.230 nan 0.000 0.421 28 R N 3.370 123.708 120.500 -0.270 0.000 2.210 28 R HA 0.295 4.647 4.340 0.020 0.000 0.338 28 R C 0.412 176.365 176.300 -0.578 0.000 1.062 28 R CA -0.226 55.425 56.100 -0.749 0.000 0.902 28 R CB 0.538 30.334 30.300 -0.840 0.000 1.050 28 R HN 0.735 nan 8.270 nan 0.000 0.461 29 L N 3.030 123.906 121.223 -0.578 0.000 2.477 29 L HA 0.358 4.710 4.340 0.020 0.000 0.220 29 L C 1.098 177.857 176.870 -0.185 0.000 1.106 29 L CA 0.395 55.023 54.840 -0.353 0.000 0.851 29 L CB 0.348 42.287 42.059 -0.200 0.000 0.994 29 L HN 0.842 nan 8.230 nan 0.000 0.462 30 G N -1.392 107.219 108.800 -0.315 0.000 2.428 30 G HA2 0.107 4.079 3.960 0.020 0.000 0.304 30 G HA3 0.107 4.079 3.960 0.020 0.000 0.304 30 G C -0.221 174.514 174.900 -0.276 0.000 1.303 30 G CA -0.486 44.494 45.100 -0.200 0.000 0.825 30 G HN -0.145 nan 8.290 nan 0.000 0.484 31 E N -0.685 119.432 120.200 -0.139 0.000 2.097 31 E HA -0.069 4.293 4.350 0.020 0.000 0.196 31 E C 1.631 178.197 176.600 -0.057 0.000 1.000 31 E CA 1.564 57.912 56.400 -0.088 0.000 0.804 31 E CB -0.011 29.676 29.700 -0.022 0.000 0.740 31 E HN 0.556 nan 8.360 nan 0.000 0.454 32 A N 0.482 123.280 122.820 -0.037 0.000 2.795 32 A HA 0.311 4.643 4.320 0.020 0.000 0.282 32 A C -0.378 177.235 177.584 0.049 0.000 0.964 32 A CA -0.275 51.801 52.037 0.065 0.000 1.045 32 A CB 1.002 20.060 19.000 0.098 0.000 1.174 32 A HN 0.008 nan 8.150 nan 0.000 0.493 33 S N -0.637 114.961 115.700 -0.169 0.000 2.572 33 S HA 0.748 5.230 4.470 0.020 0.000 0.274 33 S C -1.975 172.373 174.600 -0.420 0.000 1.150 33 S CA -0.297 57.813 58.200 -0.150 0.000 0.944 33 S CB 0.741 64.005 63.200 0.107 0.000 1.071 33 S HN 0.427 nan 8.310 nan 0.000 0.479 34 W N 1.949 123.106 121.300 -0.238 0.000 3.083 34 W HA 0.798 5.459 4.660 0.003 0.000 0.333 34 W C -0.398 176.033 176.519 -0.145 0.000 1.217 34 W CA -0.630 56.601 57.345 -0.190 0.000 1.170 34 W CB 1.726 31.058 29.460 -0.213 0.000 1.437 34 W HN 0.833 nan 8.180 nan 0.000 0.557 35 A N 1.744 124.631 122.820 0.110 0.000 2.454 35 A HA 0.931 5.263 4.320 0.020 0.000 0.302 35 A C -1.650 175.888 177.584 -0.077 0.000 1.079 35 A CA -0.782 51.281 52.037 0.044 0.000 0.731 35 A CB 1.154 20.175 19.000 0.036 0.000 1.299 35 A HN 0.658 nan 8.150 nan 0.000 0.413 36 L N 1.046 122.147 121.223 -0.203 0.000 2.331 36 L HA 0.734 5.086 4.340 0.020 0.000 0.275 36 L C -0.875 175.887 176.870 -0.180 0.000 1.022 36 L CA -1.008 53.610 54.840 -0.371 0.000 0.812 36 L CB 1.916 43.341 42.059 -1.057 0.000 1.257 36 L HN 0.432 nan 8.230 nan 0.000 0.435 37 V N 1.255 121.117 119.914 -0.087 0.000 2.577 37 V HA 0.510 4.642 4.120 0.020 0.000 0.303 37 V C -0.778 175.463 176.094 0.245 0.000 1.042 37 V CA -0.693 61.583 62.300 -0.040 0.000 0.872 37 V CB 1.542 33.033 31.823 -0.553 0.000 0.998 37 V HN 0.823 nan 8.190 nan 0.000 0.423 38 E N 2.450 122.859 120.200 0.349 0.000 7.835 38 E HA -0.127 4.234 4.350 0.020 0.000 0.463 38 E C 0.603 177.496 176.600 0.488 0.000 0.612 38 E CA 0.729 57.362 56.400 0.389 0.000 1.100 38 E CB -0.659 29.255 29.700 0.357 0.000 0.976 38 E HN 1.064 nan 8.360 nan 0.000 0.262 39 G N 1.126 110.110 108.800 0.307 0.000 3.159 39 G HA2 0.453 4.425 3.960 0.020 0.000 0.232 39 G HA3 0.453 4.425 3.960 0.020 0.000 0.232 39 G C 0.820 175.813 174.900 0.155 0.000 1.116 39 G CA 1.296 46.520 45.100 0.206 0.000 0.767 39 G HN 1.088 nan 8.290 nan 0.000 0.547 40 G N 0.566 109.399 108.800 0.055 0.000 2.633 40 G HA2 -0.208 3.764 3.960 0.020 0.000 0.263 40 G HA3 -0.208 3.764 3.960 0.020 0.000 0.263 40 G C 0.162 175.065 174.900 0.005 0.000 1.310 40 G CA 0.199 45.287 45.100 -0.020 0.000 0.914 40 G HN 1.180 nan 8.290 nan 0.000 0.569 41 I N -2.980 117.610 120.570 0.033 0.000 2.493 41 I HA 0.668 4.850 4.170 0.020 0.000 0.298 41 I C 1.224 177.393 176.117 0.088 0.000 0.998 41 I CA -0.285 61.078 61.300 0.104 0.000 1.137 41 I CB 1.873 39.960 38.000 0.145 0.000 1.310 41 I HN 0.435 nan 8.210 nan 0.000 0.445 42 S N 3.806 119.564 115.700 0.096 0.000 2.374 42 S HA -0.256 4.226 4.470 0.020 0.000 0.227 42 S C 1.762 176.251 174.600 -0.186 0.000 1.037 42 S CA 2.320 60.476 58.200 -0.074 0.000 1.024 42 S CB -0.568 62.565 63.200 -0.111 0.000 0.861 42 S HN 0.897 nan 8.310 nan 0.000 0.456 43 R N 1.849 122.301 120.500 -0.079 0.000 2.241 43 R HA 0.006 4.358 4.340 0.020 0.000 0.224 43 R C 0.529 176.803 176.300 -0.044 0.000 1.101 43 R CA 1.586 57.641 56.100 -0.074 0.000 0.995 43 R CB -0.561 29.736 30.300 -0.005 0.000 0.870 43 R HN 0.148 nan 8.270 nan 0.000 0.463 44 D N 0.644 121.036 120.400 -0.013 0.000 2.328 44 D HA 0.168 4.820 4.640 0.020 0.000 0.226 44 D C 1.443 177.756 176.300 0.022 0.000 1.066 44 D CA 0.750 54.756 54.000 0.010 0.000 0.861 44 D CB 0.474 41.287 40.800 0.021 0.000 0.912 44 D HN 0.408 nan 8.370 nan 0.000 0.521 45 A N 1.075 123.889 122.820 -0.010 0.000 1.873 45 A HA -0.219 4.113 4.320 0.020 0.000 0.218 45 A C 2.013 179.647 177.584 0.083 0.000 1.193 45 A CA 1.286 53.342 52.037 0.032 0.000 0.629 45 A CB -0.169 18.797 19.000 -0.056 0.000 0.826 45 A HN 0.062 nan 8.150 nan 0.000 0.447 46 E N -0.771 119.458 120.200 0.047 0.000 2.208 46 E HA -0.087 4.275 4.350 0.020 0.000 0.193 46 E C 1.939 178.614 176.600 0.125 0.000 0.988 46 E CA 0.788 57.249 56.400 0.102 0.000 0.828 46 E CB -0.393 29.335 29.700 0.047 0.000 0.763 46 E HN 0.529 nan 8.360 nan 0.000 0.478 47 L N 0.584 121.850 121.223 0.072 0.000 2.027 47 L HA -0.118 4.234 4.340 0.020 0.000 0.206 47 L C 2.263 179.163 176.870 0.049 0.000 1.074 47 L CA 1.224 56.093 54.840 0.049 0.000 0.745 47 L CB -0.433 41.643 42.059 0.027 0.000 0.898 47 L HN -0.123 nan 8.230 nan 0.000 0.433 48 V N -0.866 119.086 119.914 0.063 0.000 2.407 48 V HA -0.311 3.821 4.120 0.020 0.000 0.248 48 V C 2.183 178.315 176.094 0.064 0.000 1.055 48 V CA 2.069 64.394 62.300 0.041 0.000 1.049 48 V CB -0.923 30.927 31.823 0.046 0.000 0.662 48 V HN 0.717 nan 8.190 nan 0.000 0.455 49 W N 0.940 122.204 121.300 -0.059 0.000 2.355 49 W HA -0.244 4.432 4.660 0.025 0.000 0.309 49 W C 2.458 178.930 176.519 -0.077 0.000 1.206 49 W CA 1.973 59.275 57.345 -0.072 0.000 1.284 49 W CB -0.214 29.216 29.460 -0.049 0.000 1.145 49 W HN 0.307 nan 8.180 nan 0.000 0.502 50 A N 0.852 123.665 122.820 -0.010 0.000 1.883 50 A HA -0.268 4.064 4.320 0.020 0.000 0.217 50 A C 1.653 179.117 177.584 -0.201 0.000 1.186 50 A CA 2.280 54.243 52.037 -0.122 0.000 0.624 50 A CB -1.162 17.826 19.000 -0.020 0.000 0.822 50 A HN 0.261 nan 8.150 nan 0.000 0.444 51 D N -0.505 119.821 120.400 -0.123 0.000 2.097 51 D HA -0.128 4.524 4.640 0.020 0.000 0.195 51 D C 1.858 178.097 176.300 -0.103 0.000 0.989 51 D CA 1.300 55.250 54.000 -0.083 0.000 0.827 51 D CB -0.537 40.269 40.800 0.011 0.000 0.966 51 D HN 0.318 nan 8.370 nan 0.000 0.456 52 L N 0.703 121.804 121.223 -0.203 0.000 2.013 52 L HA -0.196 4.156 4.340 0.020 0.000 0.212 52 L C 2.051 178.644 176.870 -0.461 0.000 1.073 52 L CA 1.677 56.323 54.840 -0.324 0.000 0.753 52 L CB -0.540 41.250 42.059 -0.449 0.000 0.890 52 L HN 0.073 nan 8.230 nan 0.000 0.432 53 C N -0.417 118.518 119.300 -0.607 0.000 2.456 53 C HA 0.013 4.485 4.460 0.020 0.000 0.279 53 C C 2.667 177.403 174.990 -0.423 0.000 1.427 53 C CA -0.080 58.586 59.018 -0.587 0.000 1.778 53 C CB -1.282 26.047 27.740 -0.684 0.000 1.842 53 C HN 0.461 nan 8.230 nan 0.000 0.531 54 R N -0.076 120.169 120.500 -0.424 0.000 2.115 54 R HA -0.108 4.244 4.340 0.020 0.000 0.230 54 R C 1.694 177.627 176.300 -0.612 0.000 1.111 54 R CA 1.380 57.158 56.100 -0.536 0.000 0.976 54 R CB -0.377 29.504 30.300 -0.698 0.000 0.870 54 R HN 0.722 nan 8.270 nan 0.000 0.445 55 W N -0.360 120.744 121.300 -0.326 0.000 2.640 55 W HA 0.135 4.801 4.660 0.010 0.000 0.271 55 W C 0.336 176.541 176.519 -0.523 0.000 1.218 55 W CA -0.163 56.972 57.345 -0.349 0.000 1.382 55 W CB 0.351 29.561 29.460 -0.418 0.000 1.067 55 W HN -0.345 nan 8.180 nan 0.000 0.590 56 V N 1.512 121.128 119.914 -0.498 0.000 2.328 56 V HA 0.406 4.537 4.120 0.020 0.000 0.278 56 V C 0.830 176.712 176.094 -0.353 0.000 1.021 56 V CA -0.224 61.678 62.300 -0.663 0.000 0.838 56 V CB 0.663 31.877 31.823 -1.014 0.000 0.999 56 V HN 0.135 nan 8.190 nan 0.000 0.447 57 A N 3.307 126.026 122.820 -0.168 0.000 1.930 57 A HA -0.042 4.290 4.320 0.020 0.000 0.217 57 A C 0.978 178.495 177.584 -0.111 0.000 1.175 57 A CA 1.364 53.335 52.037 -0.110 0.000 0.627 57 A CB -0.045 18.939 19.000 -0.025 0.000 0.815 57 A HN 0.743 nan 8.150 nan 0.000 0.443 58 D N -1.986 118.354 120.400 -0.100 0.000 2.620 58 D HA 0.298 4.950 4.640 0.020 0.000 0.252 58 D C -2.282 173.961 176.300 -0.095 0.000 1.207 58 D CA -1.942 52.019 54.000 -0.064 0.000 0.884 58 D CB 1.865 42.663 40.800 -0.003 0.000 1.262 58 D HN -0.061 nan 8.370 nan 0.000 0.552 59 P HA -0.127 nan 4.420 nan 0.000 0.225 59 P C 1.108 178.401 177.300 -0.011 0.000 1.148 59 P CA 0.681 63.748 63.100 -0.055 0.000 0.779 59 P CB 0.122 31.912 31.700 0.151 0.000 0.780 60 S N -0.817 114.893 115.700 0.016 0.000 2.547 60 S HA -0.114 4.368 4.470 0.020 0.000 0.235 60 S C 1.777 176.393 174.600 0.028 0.000 0.980 60 S CA 0.556 58.782 58.200 0.043 0.000 0.941 60 S CB -0.950 62.286 63.200 0.061 0.000 0.763 60 S HN 0.260 nan 8.310 nan 0.000 0.532 61 Q N 0.568 120.336 119.800 -0.054 0.000 2.403 61 Q HA 0.224 4.576 4.340 0.020 0.000 0.203 61 Q C -0.420 175.291 176.000 -0.482 0.000 0.932 61 Q CA 0.030 55.722 55.803 -0.186 0.000 0.945 61 Q CB 0.339 29.122 28.738 0.074 0.000 1.045 61 Q HN 0.423 nan 8.270 nan 0.000 0.511 62 V N 1.420 121.166 119.914 -0.279 0.000 2.405 62 V HA 0.015 4.147 4.120 0.020 0.000 0.264 62 V C 0.295 176.277 176.094 -0.188 0.000 1.048 62 V CA 0.254 62.422 62.300 -0.219 0.000 0.966 62 V CB 0.496 32.224 31.823 -0.159 0.000 1.015 62 V HN 0.337 nan 8.190 nan 0.000 0.477 63 H N 2.823 121.840 119.070 -0.089 0.000 2.729 63 H HA 0.299 4.865 4.556 0.018 0.000 0.263 63 H C -0.583 174.375 175.328 -0.617 0.000 0.961 63 H CA 0.149 55.972 56.048 -0.376 0.000 1.217 63 H CB 0.684 30.143 29.762 -0.504 0.000 1.447 63 H HN 0.563 nan 8.280 nan 0.000 0.496 64 Y N -1.060 119.329 120.300 0.149 0.000 2.553 64 Y HA 0.267 4.829 4.550 0.019 0.000 0.347 64 Y C -1.336 174.649 175.900 0.141 0.000 1.019 64 Y CA -1.413 56.763 58.100 0.126 0.000 1.032 64 Y CB 1.880 40.378 38.460 0.063 0.000 1.284 64 Y HN 0.076 nan 8.280 nan 0.000 0.466 65 W N 4.498 125.880 121.300 0.136 0.000 2.631 65 W HA 0.559 5.234 4.660 0.025 0.000 0.321 65 W C -2.337 174.183 176.519 0.002 0.000 1.004 65 W CA -1.621 55.749 57.345 0.042 0.000 1.291 65 W CB 1.285 30.769 29.460 0.040 0.000 1.300 65 W HN 0.394 nan 8.180 nan 0.000 0.422 66 L N 6.951 128.316 121.223 0.235 0.000 2.292 66 L HA 0.442 4.794 4.340 0.020 0.000 0.284 66 L C 0.111 177.026 176.870 0.075 0.000 1.065 66 L CA -0.376 54.369 54.840 -0.159 0.000 0.806 66 L CB 0.803 42.324 42.059 -0.897 0.000 1.175 66 L HN 0.104 nan 8.230 nan 0.000 0.431 67 I N 2.180 122.893 120.570 0.239 0.000 2.436 67 I HA 0.234 4.416 4.170 0.020 0.000 0.289 67 I C 1.242 177.623 176.117 0.439 0.000 1.010 67 I CA -0.291 61.207 61.300 0.331 0.000 1.098 67 I CB 1.714 39.905 38.000 0.318 0.000 1.266 67 I HN 0.752 nan 8.210 nan 0.000 0.434 68 T N 2.202 116.967 114.554 0.352 0.000 2.851 68 T HA 0.029 4.391 4.350 0.020 0.000 0.262 68 T C 0.589 175.215 174.700 -0.124 0.000 1.043 68 T CA 1.090 63.233 62.100 0.072 0.000 1.140 68 T CB -0.001 68.857 68.868 -0.018 0.000 0.872 68 T HN 0.737 nan 8.240 nan 0.000 0.446 69 H N -0.284 118.669 119.070 -0.196 0.000 2.917 69 H HA 0.343 4.911 4.556 0.020 0.000 0.299 69 H C -0.075 175.246 175.328 -0.011 0.000 1.418 69 H CA -0.709 55.213 56.048 -0.210 0.000 1.138 69 H CB 1.015 30.569 29.762 -0.347 0.000 1.830 69 H HN 0.195 nan 8.280 nan 0.000 0.514 70 K N -0.021 120.347 120.400 -0.053 0.000 2.487 70 K HA 0.091 4.423 4.320 0.020 0.000 0.192 70 K C -0.185 176.521 176.600 0.176 0.000 1.027 70 K CA -0.071 56.228 56.287 0.020 0.000 1.054 70 K CB -0.192 32.242 32.500 -0.111 0.000 0.824 70 K HN 0.484 nan 8.250 nan 0.000 0.510 71 H N 0.673 119.746 119.070 0.004 0.000 2.929 71 H HA -0.097 4.471 4.556 0.020 0.000 0.358 71 H C 0.871 176.275 175.328 0.127 0.000 1.111 71 H CA -0.042 56.080 56.048 0.123 0.000 1.409 71 H CB 0.452 30.329 29.762 0.191 0.000 1.373 71 H HN 0.291 nan 8.280 nan 0.000 0.610 72 Y N 1.001 121.489 120.300 0.313 0.000 2.315 72 Y HA -0.200 4.362 4.550 0.020 0.000 0.288 72 Y C 1.384 177.438 175.900 0.258 0.000 1.154 72 Y CA 1.056 59.302 58.100 0.243 0.000 1.229 72 Y CB -0.132 38.434 38.460 0.177 0.000 0.980 72 Y HN 0.587 nan 8.280 nan 0.000 0.540 73 D N -1.385 118.623 120.400 -0.654 0.000 2.340 73 D HA -0.067 4.585 4.640 0.020 0.000 0.217 73 D C 0.680 176.706 176.300 -0.456 0.000 1.081 73 D CA 0.291 53.998 54.000 -0.488 0.000 0.842 73 D CB -0.748 39.734 40.800 -0.530 0.000 0.934 73 D HN 0.635 nan 8.370 nan 0.000 0.511 74 H N -0.402 118.630 119.070 -0.064 0.000 3.233 74 H HA 0.212 4.780 4.556 0.020 0.000 0.263 74 H C 0.774 176.140 175.328 0.063 0.000 1.168 74 H CA 0.237 56.268 56.048 -0.029 0.000 1.159 74 H CB 0.888 30.515 29.762 -0.225 0.000 1.593 74 H HN 0.337 nan 8.280 nan 0.000 0.580 75 C N -2.452 116.960 119.300 0.186 0.000 3.935 75 C HA 0.450 4.922 4.460 0.020 0.000 0.301 75 C C 2.137 177.244 174.990 0.195 0.000 1.874 75 C CA 0.199 59.325 59.018 0.180 0.000 1.723 75 C CB -0.685 27.317 27.740 0.436 0.000 3.192 75 C HN 0.325 nan 8.230 nan 0.000 0.577 76 G N 1.902 110.836 108.800 0.225 0.000 2.471 76 G HA2 0.012 3.984 3.960 0.020 0.000 0.219 76 G HA3 0.012 3.984 3.960 0.020 0.000 0.219 76 G C 1.347 176.379 174.900 0.221 0.000 1.125 76 G CA 0.964 46.245 45.100 0.303 0.000 0.775 76 G HN 0.599 nan 8.290 nan 0.000 0.548 77 L N -0.017 121.281 121.223 0.125 0.000 2.395 77 L HA 0.177 4.529 4.340 0.020 0.000 0.218 77 L C 2.627 179.502 176.870 0.008 0.000 1.130 77 L CA -0.096 54.850 54.840 0.178 0.000 0.826 77 L CB -0.193 42.064 42.059 0.330 0.000 0.941 77 L HN 0.173 nan 8.230 nan 0.000 0.451 78 L N 0.331 121.332 121.223 -0.369 0.000 1.989 78 L HA -0.177 4.175 4.340 0.020 0.000 0.211 78 L C -0.238 176.269 176.870 -0.605 0.000 1.071 78 L CA 1.605 56.037 54.840 -0.681 0.000 0.749 78 L CB -1.828 39.687 42.059 -0.907 0.000 0.890 78 L HN 0.247 nan 8.230 nan 0.000 0.431 79 P HA -0.135 nan 4.420 nan 0.000 0.226 79 P C 0.771 177.589 177.300 -0.803 0.000 1.153 79 P CA 1.342 63.852 63.100 -0.983 0.000 0.777 79 P CB 0.013 30.857 31.700 -1.427 0.000 0.794 80 Y N -1.621 118.516 120.300 -0.270 0.000 2.441 80 Y HA 0.154 4.716 4.550 0.019 0.000 0.288 80 Y C 2.134 177.947 175.900 -0.144 0.000 1.118 80 Y CA 0.660 58.655 58.100 -0.176 0.000 1.215 80 Y CB -0.563 37.826 38.460 -0.117 0.000 1.118 80 Y HN -0.203 nan 8.280 nan 0.000 0.547 81 L N -2.368 118.909 121.223 0.090 0.000 2.470 81 L HA -0.030 4.322 4.340 0.020 0.000 0.219 81 L C 1.908 178.848 176.870 0.116 0.000 1.071 81 L CA 0.106 55.015 54.840 0.115 0.000 0.850 81 L CB -0.361 41.895 42.059 0.327 0.000 1.040 81 L HN 0.249 nan 8.230 nan 0.000 0.475 82 C N 1.147 120.502 119.300 0.092 0.000 2.413 82 C HA -0.083 4.389 4.460 0.020 0.000 0.276 82 C C 0.159 175.135 174.990 -0.023 0.000 1.248 82 C CA 0.769 59.824 59.018 0.061 0.000 1.742 82 C CB -1.383 26.320 27.740 -0.061 0.000 2.017 82 C HN 0.340 nan 8.230 nan 0.000 0.481 83 P HA -0.109 nan 4.420 nan 0.000 0.221 83 P C 1.170 178.409 177.300 -0.101 0.000 1.145 83 P CA 1.374 64.407 63.100 -0.110 0.000 0.795 83 P CB -0.231 31.377 31.700 -0.155 0.000 0.775 84 R N -1.235 119.189 120.500 -0.127 0.000 2.317 84 R HA 0.218 4.570 4.340 0.020 0.000 0.208 84 R C 0.331 176.663 176.300 0.054 0.000 0.914 84 R CA 0.149 56.159 56.100 -0.151 0.000 1.060 84 R CB -0.001 29.955 30.300 -0.573 0.000 1.015 84 R HN 0.230 nan 8.270 nan 0.000 0.498 85 L N 2.143 123.407 121.223 0.068 0.000 2.445 85 L HA 0.298 4.650 4.340 0.020 0.000 0.252 85 L C -1.741 175.168 176.870 0.065 0.000 1.105 85 L CA -1.614 53.286 54.840 0.100 0.000 0.943 85 L CB 1.596 43.730 42.059 0.124 0.000 1.277 85 L HN -0.159 nan 8.230 nan 0.000 0.465 86 P HA -0.103 nan 4.420 nan 0.000 0.220 86 P C 0.532 177.857 177.300 0.042 0.000 1.148 86 P CA 1.174 64.296 63.100 0.036 0.000 0.803 86 P CB 0.348 32.067 31.700 0.032 0.000 0.782 87 N N -0.689 118.049 118.700 0.063 0.000 2.230 87 N HA 0.057 4.809 4.740 0.020 0.000 0.202 87 N C 0.148 175.694 175.510 0.060 0.000 1.119 87 N CA -0.143 52.950 53.050 0.073 0.000 0.851 87 N CB 0.513 39.090 38.487 0.149 0.000 0.990 87 N HN 0.043 nan 8.380 nan 0.000 0.497 88 V N 1.384 121.335 119.914 0.062 0.000 2.686 88 V HA 0.099 4.231 4.120 0.020 0.000 0.295 88 V C -0.238 175.894 176.094 0.063 0.000 1.055 88 V CA -0.040 62.300 62.300 0.067 0.000 1.050 88 V CB 1.134 33.046 31.823 0.148 0.000 0.984 88 V HN 0.169 nan 8.190 nan 0.000 0.482 89 Q N 4.407 124.245 119.800 0.063 0.000 2.333 89 Q HA 0.481 4.833 4.340 0.020 0.000 0.268 89 Q C -1.110 175.027 176.000 0.228 0.000 1.007 89 Q CA -0.700 55.181 55.803 0.129 0.000 0.810 89 Q CB 2.290 31.113 28.738 0.140 0.000 1.264 89 Q HN 0.618 nan 8.270 nan 0.000 0.452 90 V N 4.623 124.653 119.914 0.193 0.000 2.455 90 V HA 0.213 4.345 4.120 0.020 0.000 0.273 90 V C -0.070 176.164 176.094 0.233 0.000 1.045 90 V CA -0.212 62.208 62.300 0.201 0.000 0.976 90 V CB 0.465 32.336 31.823 0.079 0.000 0.993 90 V HN 0.607 nan 8.190 nan 0.000 0.475 91 L N 5.528 126.893 121.223 0.237 0.000 2.276 91 L HA 0.834 5.186 4.340 0.020 0.000 0.286 91 L C 0.159 177.182 176.870 0.255 0.000 1.024 91 L CA -0.118 54.852 54.840 0.218 0.000 0.826 91 L CB 1.242 43.395 42.059 0.156 0.000 1.211 91 L HN 0.763 nan 8.230 nan 0.000 0.422 92 A N 2.046 125.008 122.820 0.236 0.000 2.556 92 A HA 0.717 5.049 4.320 0.020 0.000 0.294 92 A C -0.198 177.436 177.584 0.083 0.000 1.091 92 A CA -0.523 51.625 52.037 0.186 0.000 0.704 92 A CB 1.847 20.930 19.000 0.138 0.000 1.300 92 A HN 0.639 nan 8.150 nan 0.000 0.406 93 S N 0.301 116.011 115.700 0.016 0.000 2.580 93 S HA 0.121 4.603 4.470 0.020 0.000 0.266 93 S C 0.671 175.240 174.600 -0.052 0.000 1.354 93 S CA 0.356 58.548 58.200 -0.013 0.000 1.008 93 S CB 0.556 63.744 63.200 -0.021 0.000 0.898 93 S HN 0.648 nan 8.310 nan 0.000 0.555 94 E N 1.579 121.764 120.200 -0.025 0.000 2.058 94 E HA -0.155 4.206 4.350 0.020 0.000 0.194 94 E C 2.235 178.785 176.600 -0.085 0.000 0.997 94 E CA 1.379 57.759 56.400 -0.035 0.000 0.801 94 E CB -0.270 29.425 29.700 -0.009 0.000 0.746 94 E HN 0.691 nan 8.360 nan 0.000 0.450 95 R N -0.193 120.255 120.500 -0.087 0.000 2.096 95 R HA -0.061 4.291 4.340 0.020 0.000 0.235 95 R C 2.441 178.602 176.300 -0.232 0.000 1.127 95 R CA 1.561 57.583 56.100 -0.130 0.000 0.968 95 R CB -0.353 29.875 30.300 -0.120 0.000 0.861 95 R HN 0.112 nan 8.270 nan 0.000 0.440 96 T N 0.406 114.784 114.554 -0.293 0.000 2.708 96 T HA -0.170 4.192 4.350 0.020 0.000 0.266 96 T C 2.088 176.249 174.700 -0.899 0.000 1.037 96 T CA 1.333 63.100 62.100 -0.556 0.000 1.146 96 T CB -0.367 68.200 68.868 -0.501 0.000 0.865 96 T HN 0.351 nan 8.240 nan 0.000 0.435 97 C N 1.601 120.552 119.300 -0.582 0.000 2.413 97 C HA -0.072 4.400 4.460 0.020 0.000 0.277 97 C C 2.972 177.850 174.990 -0.187 0.000 1.265 97 C CA 0.427 59.242 59.018 -0.337 0.000 1.752 97 C CB -1.057 26.655 27.740 -0.047 0.000 1.998 97 C HN 0.512 nan 8.230 nan 0.000 0.489 98 Q N 0.583 120.276 119.800 -0.178 0.000 2.124 98 Q HA -0.094 4.258 4.340 0.020 0.000 0.202 98 Q C 2.533 178.469 176.000 -0.108 0.000 0.977 98 Q CA 1.831 57.577 55.803 -0.095 0.000 0.850 98 Q CB -0.685 28.004 28.738 -0.081 0.000 0.901 98 Q HN 0.745 nan 8.270 nan 0.000 0.429 99 A N 0.036 122.719 122.820 -0.229 0.000 1.972 99 A HA -0.159 4.173 4.320 0.020 0.000 0.219 99 A C 1.527 179.067 177.584 -0.074 0.000 1.169 99 A CA 0.984 52.906 52.037 -0.192 0.000 0.635 99 A CB -0.816 18.017 19.000 -0.277 0.000 0.810 99 A HN 0.405 nan 8.150 nan 0.000 0.446 100 W N 0.244 121.513 121.300 -0.052 0.000 2.699 100 W HA 0.088 4.760 4.660 0.020 0.000 0.249 100 W C 1.477 178.001 176.519 0.008 0.000 1.280 100 W CA 0.696 58.015 57.345 -0.044 0.000 1.345 100 W CB -0.374 29.163 29.460 0.128 0.000 1.128 100 W HN 0.418 nan 8.180 nan 0.000 0.642 101 K N -0.224 120.285 120.400 0.183 0.000 2.379 101 K HA 0.036 4.368 4.320 0.020 0.000 0.194 101 K C 0.905 177.544 176.600 0.065 0.000 1.031 101 K CA 0.160 56.521 56.287 0.123 0.000 1.037 101 K CB 0.405 32.958 32.500 0.088 0.000 0.824 101 K HN -0.221 nan 8.250 nan 0.000 0.516 102 S N 1.292 117.011 115.700 0.030 0.000 2.422 102 S HA 0.054 4.536 4.470 0.020 0.000 0.298 102 S C 0.861 175.453 174.600 -0.014 0.000 1.118 102 S CA -0.480 57.721 58.200 0.002 0.000 1.083 102 S CB 1.277 64.466 63.200 -0.019 0.000 0.971 102 S HN 0.156 nan 8.310 nan 0.000 0.478 103 E N 4.008 124.208 120.200 -0.001 0.000 2.118 103 E HA -0.106 4.256 4.350 0.020 0.000 0.195 103 E C 1.920 178.504 176.600 -0.025 0.000 0.992 103 E CA 1.901 58.297 56.400 -0.006 0.000 0.804 103 E CB -0.420 29.287 29.700 0.012 0.000 0.741 103 E HN 0.628 nan 8.360 nan 0.000 0.458 104 S N -0.829 114.858 115.700 -0.022 0.000 2.359 104 S HA -0.169 4.313 4.470 0.020 0.000 0.224 104 S C 2.025 176.600 174.600 -0.041 0.000 1.035 104 S CA 1.562 59.747 58.200 -0.025 0.000 1.018 104 S CB -0.592 62.597 63.200 -0.019 0.000 0.876 104 S HN 0.461 nan 8.310 nan 0.000 0.448 105 A N 1.170 123.960 122.820 -0.050 0.000 1.877 105 A HA -0.053 4.279 4.320 0.020 0.000 0.216 105 A C 2.436 179.949 177.584 -0.118 0.000 1.186 105 A CA 2.074 54.074 52.037 -0.062 0.000 0.620 105 A CB -1.229 17.735 19.000 -0.060 0.000 0.822 105 A HN 0.956 nan 8.150 nan 0.000 0.443 106 V N -2.275 117.524 119.914 -0.192 0.000 2.667 106 V HA -0.147 3.985 4.120 0.020 0.000 0.252 106 V C 2.156 178.128 176.094 -0.204 0.000 1.065 106 V CA 1.858 63.921 62.300 -0.395 0.000 1.083 106 V CB -0.970 30.465 31.823 -0.646 0.000 0.692 106 V HN 0.488 nan 8.190 nan 0.000 0.468 107 R N 0.238 120.683 120.500 -0.091 0.000 2.096 107 R HA -0.046 4.305 4.340 0.020 0.000 0.235 107 R C 2.335 178.621 176.300 -0.022 0.000 1.127 107 R CA 1.617 57.700 56.100 -0.027 0.000 0.968 107 R CB -0.569 29.723 30.300 -0.013 0.000 0.861 107 R HN 0.533 nan 8.270 nan 0.000 0.440 108 V N 0.253 120.145 119.914 -0.037 0.000 2.307 108 V HA -0.205 3.927 4.120 0.020 0.000 0.245 108 V C 2.314 178.402 176.094 -0.010 0.000 1.045 108 V CA 1.524 63.806 62.300 -0.030 0.000 1.024 108 V CB -0.278 31.530 31.823 -0.025 0.000 0.651 108 V HN 0.116 nan 8.190 nan 0.000 0.449 109 V N -0.000 119.916 119.914 0.004 0.000 2.332 109 V HA -0.299 3.833 4.120 0.020 0.000 0.248 109 V C 2.415 178.597 176.094 0.147 0.000 1.055 109 V CA 2.251 64.609 62.300 0.096 0.000 1.038 109 V CB -0.668 31.141 31.823 -0.024 0.000 0.651 109 V HN 0.622 nan 8.190 nan 0.000 0.450 110 E N -0.306 119.964 120.200 0.117 0.000 2.072 110 E HA -0.237 4.124 4.350 0.020 0.000 0.191 110 E C 2.436 179.104 176.600 0.114 0.000 0.985 110 E CA 1.279 57.792 56.400 0.189 0.000 0.801 110 E CB -0.217 29.598 29.700 0.191 0.000 0.750 110 E HN 0.451 nan 8.360 nan 0.000 0.452 111 R N 0.881 121.410 120.500 0.048 0.000 2.073 111 R HA -0.131 4.221 4.340 0.020 0.000 0.234 111 R C 2.305 178.587 176.300 -0.030 0.000 1.134 111 R CA 1.079 57.184 56.100 0.008 0.000 0.952 111 R CB -0.187 30.102 30.300 -0.018 0.000 0.850 111 R HN 0.145 nan 8.270 nan 0.000 0.433 112 L N 0.785 121.952 121.223 -0.093 0.000 2.046 112 L HA -0.183 4.169 4.340 0.020 0.000 0.208 112 L C 2.255 179.069 176.870 -0.092 0.000 1.077 112 L CA 1.165 55.857 54.840 -0.247 0.000 0.747 112 L CB -0.599 41.053 42.059 -0.677 0.000 0.896 112 L HN 0.308 nan 8.230 nan 0.000 0.432 113 N N 0.102 118.852 118.700 0.084 0.000 2.166 113 N HA -0.198 4.554 4.740 0.020 0.000 0.186 113 N C 1.963 177.535 175.510 0.104 0.000 1.019 113 N CA 1.070 54.230 53.050 0.184 0.000 0.856 113 N CB -0.133 38.513 38.487 0.266 0.000 0.993 113 N HN 0.309 nan 8.380 nan 0.000 0.426 114 R N 1.376 121.923 120.500 0.078 0.000 2.092 114 R HA -0.048 4.304 4.340 0.020 0.000 0.231 114 R C 1.884 178.203 176.300 0.032 0.000 1.119 114 R CA 1.098 57.230 56.100 0.053 0.000 0.970 114 R CB 0.047 30.378 30.300 0.053 0.000 0.864 114 R HN 0.311 nan 8.270 nan 0.000 0.440 115 Q N -0.042 119.768 119.800 0.017 0.000 2.291 115 Q HA -0.120 4.232 4.340 0.020 0.000 0.206 115 Q C 1.600 177.618 176.000 0.030 0.000 0.976 115 Q CA 1.007 56.815 55.803 0.008 0.000 0.875 115 Q CB 0.116 28.840 28.738 -0.024 0.000 0.927 115 Q HN 0.422 nan 8.270 nan 0.000 0.450 116 L N 0.276 121.533 121.223 0.057 0.000 2.607 116 L HA 0.151 4.503 4.340 0.020 0.000 0.228 116 L C 0.322 177.228 176.870 0.060 0.000 1.123 116 L CA -0.283 54.608 54.840 0.084 0.000 0.890 116 L CB 0.123 42.273 42.059 0.152 0.000 1.103 116 L HN 0.123 nan 8.230 nan 0.000 0.468 117 L N 1.368 122.612 121.223 0.036 0.000 2.462 117 L HA 0.121 4.473 4.340 0.020 0.000 0.272 117 L C 0.602 177.483 176.870 0.017 0.000 1.166 117 L CA 0.156 55.005 54.840 0.014 0.000 0.880 117 L CB 0.234 42.293 42.059 0.000 0.000 1.142 117 L HN 0.205 nan 8.230 nan 0.000 0.473 118 R N 2.071 122.580 120.500 0.015 0.000 2.500 118 R HA 0.312 4.664 4.340 0.020 0.000 0.275 118 R C 1.046 177.351 176.300 0.008 0.000 1.051 118 R CA -0.092 56.017 56.100 0.016 0.000 1.088 118 R CB 0.915 31.226 30.300 0.019 0.000 1.063 118 R HN 0.793 nan 8.270 nan 0.000 0.511 119 A N 2.308 125.133 122.820 0.009 0.000 1.940 119 A HA -0.222 4.110 4.320 0.020 0.000 0.219 119 A C 1.600 179.186 177.584 0.003 0.000 1.176 119 A CA 1.684 53.725 52.037 0.006 0.000 0.631 119 A CB -0.299 18.706 19.000 0.007 0.000 0.814 119 A HN 0.814 nan 8.150 nan 0.000 0.446 120 E N 0.741 120.944 120.200 0.004 0.000 2.152 120 E HA -0.069 4.293 4.350 0.020 0.000 0.192 120 E C 1.215 177.814 176.600 -0.001 0.000 0.983 120 E CA 0.898 57.299 56.400 0.002 0.000 0.818 120 E CB -0.256 29.447 29.700 0.005 0.000 0.758 120 E HN 0.922 nan 8.360 nan 0.000 0.467 121 Q N 1.294 121.092 119.800 -0.004 0.000 2.260 121 Q HA 0.360 4.712 4.340 0.020 0.000 0.242 121 Q C -0.473 175.515 176.000 -0.020 0.000 0.932 121 Q CA -0.612 55.184 55.803 -0.012 0.000 0.891 121 Q CB 0.997 29.725 28.738 -0.016 0.000 1.222 121 Q HN -0.037 nan 8.270 nan 0.000 0.453 122 R N 2.083 122.568 120.500 -0.025 0.000 2.360 122 R HA 0.437 4.789 4.340 0.020 0.000 0.318 122 R C -0.578 175.692 176.300 -0.050 0.000 0.950 122 R CA -0.666 55.417 56.100 -0.029 0.000 0.837 122 R CB 1.134 31.423 30.300 -0.019 0.000 1.165 122 R HN 0.538 nan 8.270 nan 0.000 0.458 123 L N 4.765 125.947 121.223 -0.068 0.000 2.426 123 L HA 0.256 4.608 4.340 0.020 0.000 0.271 123 L C -1.390 175.470 176.870 -0.017 0.000 1.169 123 L CA -1.625 53.146 54.840 -0.115 0.000 0.836 123 L CB 0.318 42.267 42.059 -0.184 0.000 1.112 123 L HN 0.370 nan 8.230 nan 0.000 0.465 124 P HA 0.090 nan 4.420 nan 0.000 0.275 124 P C -0.816 176.565 177.300 0.136 0.000 1.266 124 P CA -0.577 62.549 63.100 0.042 0.000 0.793 124 P CB 0.473 32.166 31.700 -0.013 0.000 1.074 125 E N -0.526 119.692 120.200 0.029 0.000 2.384 125 E HA 0.319 4.681 4.350 0.020 0.000 0.266 125 E C -0.029 176.504 176.600 -0.112 0.000 1.012 125 E CA -0.029 56.365 56.400 -0.011 0.000 0.901 125 E CB 0.490 30.159 29.700 -0.051 0.000 0.967 125 E HN 0.462 nan 8.360 nan 0.000 0.435 126 A N 2.611 125.302 122.820 -0.215 0.000 2.331 126 A HA 0.322 4.653 4.320 0.020 0.000 0.283 126 A C 0.514 177.860 177.584 -0.397 0.000 1.142 126 A CA -0.782 50.910 52.037 -0.575 0.000 0.812 126 A CB 0.186 18.769 19.000 -0.696 0.000 1.074 126 A HN 0.807 nan 8.150 nan 0.000 0.497 127 C N 1.335 120.362 119.300 -0.455 0.000 2.422 127 C HA 0.808 5.280 4.460 0.020 0.000 0.364 127 C C 0.973 175.736 174.990 -0.378 0.000 1.251 127 C CA -0.503 58.314 59.018 -0.334 0.000 2.441 127 C CB -0.104 27.461 27.740 -0.292 0.000 2.393 127 C HN 1.379 nan 8.230 nan 0.000 0.606 128 A N 1.163 123.847 122.820 -0.225 0.000 2.462 128 A HA 0.301 4.632 4.320 0.020 0.000 0.243 128 A C 0.484 177.964 177.584 -0.173 0.000 1.076 128 A CA -0.288 51.667 52.037 -0.137 0.000 0.773 128 A CB -0.135 18.846 19.000 -0.032 0.000 1.010 128 A HN 1.045 nan 8.150 nan 0.000 0.493 129 W N 0.240 121.468 121.300 -0.119 0.000 2.374 129 W HA -0.113 4.560 4.660 0.021 0.000 0.288 129 W C 1.328 177.809 176.519 -0.063 0.000 1.218 129 W CA 1.597 58.858 57.345 -0.141 0.000 1.245 129 W CB -0.093 29.319 29.460 -0.081 0.000 1.126 129 W HN 0.908 nan 8.180 nan 0.000 0.545 130 D N -1.218 119.304 120.400 0.203 0.000 2.328 130 D HA 0.088 4.740 4.640 0.020 0.000 0.226 130 D C 1.478 177.820 176.300 0.069 0.000 1.066 130 D CA 0.742 54.831 54.000 0.149 0.000 0.861 130 D CB -0.478 40.402 40.800 0.133 0.000 0.912 130 D HN 0.056 nan 8.370 nan 0.000 0.521 131 A N 0.087 122.912 122.820 0.008 0.000 2.348 131 A HA 0.282 4.614 4.320 0.020 0.000 0.224 131 A C 0.753 178.301 177.584 -0.059 0.000 1.227 131 A CA -0.405 51.614 52.037 -0.030 0.000 0.885 131 A CB -0.227 18.735 19.000 -0.062 0.000 0.933 131 A HN 0.222 nan 8.150 nan 0.000 0.506 132 L N 1.311 122.487 121.223 -0.079 0.000 2.461 132 L HA 0.181 4.533 4.340 0.020 0.000 0.272 132 L C -1.702 175.153 176.870 -0.025 0.000 1.197 132 L CA -1.327 53.441 54.840 -0.119 0.000 0.836 132 L CB 0.373 42.299 42.059 -0.222 0.000 1.105 132 L HN 0.137 nan 8.230 nan 0.000 0.477 133 P HA 0.129 nan 4.420 nan 0.000 0.225 133 P C -0.650 176.697 177.300 0.077 0.000 1.813 133 P CA -0.034 63.085 63.100 0.032 0.000 1.013 133 P CB 0.109 31.827 31.700 0.029 0.000 1.961 134 V N 2.803 122.782 119.914 0.110 0.000 2.617 134 V HA 0.465 4.597 4.120 0.020 0.000 0.298 134 V C 0.728 176.918 176.094 0.160 0.000 1.048 134 V CA -0.586 61.820 62.300 0.178 0.000 0.964 134 V CB 2.002 33.998 31.823 0.289 0.000 1.004 134 V HN 0.355 nan 8.190 nan 0.000 0.466 135 R N 2.906 123.509 120.500 0.172 0.000 2.538 135 R HA 0.719 5.071 4.340 0.020 0.000 0.292 135 R C -0.582 175.803 176.300 0.141 0.000 1.008 135 R CA -0.492 55.695 56.100 0.144 0.000 0.896 135 R CB 1.717 32.105 30.300 0.147 0.000 1.187 135 R HN 0.841 nan 8.270 nan 0.000 0.440 136 A N 3.806 126.690 122.820 0.108 0.000 2.401 136 A HA 0.426 4.757 4.320 0.020 0.000 0.259 136 A C 0.092 177.727 177.584 0.085 0.000 1.103 136 A CA -0.415 51.673 52.037 0.085 0.000 0.789 136 A CB 0.561 19.594 19.000 0.055 0.000 1.035 136 A HN 0.613 nan 8.150 nan 0.000 0.491 137 V N -0.366 119.600 119.914 0.086 0.000 2.769 137 V HA 0.925 5.057 4.120 0.020 0.000 0.312 137 V C 0.222 176.339 176.094 0.038 0.000 1.058 137 V CA -0.386 61.962 62.300 0.079 0.000 0.952 137 V CB 1.162 33.064 31.823 0.131 0.000 1.019 137 V HN 1.506 nan 8.190 nan 0.000 0.445 138 A N 1.891 124.720 122.820 0.015 0.000 2.311 138 A HA 0.673 5.005 4.320 0.020 0.000 0.334 138 A C -0.315 177.233 177.584 -0.060 0.000 1.139 138 A CA -0.526 51.502 52.037 -0.015 0.000 0.830 138 A CB 1.116 20.112 19.000 -0.006 0.000 1.234 138 A HN 1.073 nan 8.150 nan 0.000 0.483 139 D N 0.246 120.596 120.400 -0.082 0.000 2.487 139 D HA 0.371 5.023 4.640 0.020 0.000 0.243 139 D C 1.369 177.588 176.300 -0.136 0.000 1.154 139 D CA 2.195 56.118 54.000 -0.129 0.000 0.876 139 D CB 0.238 40.957 40.800 -0.135 0.000 1.161 139 D HN 1.349 nan 8.370 nan 0.000 0.478 140 G N 3.182 111.861 108.800 -0.201 0.000 2.199 140 G HA2 -0.313 3.659 3.960 0.020 0.000 0.254 140 G HA3 -0.313 3.659 3.960 0.020 0.000 0.254 140 G C 0.384 175.059 174.900 -0.375 0.000 0.982 140 G CA 0.286 45.226 45.100 -0.266 0.000 0.632 140 G HN 0.686 nan 8.290 nan 0.000 0.529 141 E N -0.129 119.926 120.200 -0.241 0.000 2.384 141 E HA 0.309 4.671 4.350 0.020 0.000 0.266 141 E C -0.266 176.180 176.600 -0.257 0.000 1.012 141 E CA -0.731 55.579 56.400 -0.150 0.000 0.901 141 E CB 0.212 29.895 29.700 -0.029 0.000 0.967 141 E HN 0.354 nan 8.360 nan 0.000 0.435 142 W N 5.247 126.570 121.300 0.038 0.000 2.331 142 W HA 0.292 4.963 4.660 0.019 0.000 0.306 142 W C -0.577 175.953 176.519 0.018 0.000 1.162 142 W CA -0.638 56.727 57.345 0.033 0.000 1.232 142 W CB 0.664 30.137 29.460 0.021 0.000 1.235 142 W HN 0.348 nan 8.180 nan 0.000 0.479 143 L N 4.561 125.916 121.223 0.219 0.000 2.264 143 L HA 0.269 4.621 4.340 0.020 0.000 0.287 143 L C 0.388 177.298 176.870 0.067 0.000 1.039 143 L CA -0.670 54.216 54.840 0.077 0.000 0.829 143 L CB 0.635 42.683 42.059 -0.018 0.000 1.211 143 L HN 0.318 nan 8.230 nan 0.000 0.427 144 E N 5.095 125.318 120.200 0.038 0.000 1.932 144 E HA 0.126 4.488 4.350 0.020 0.000 0.259 144 E C 0.840 177.419 176.600 -0.034 0.000 1.099 144 E CA -0.086 56.331 56.400 0.028 0.000 0.970 144 E CB 0.929 30.651 29.700 0.038 0.000 1.143 144 E HN 0.678 nan 8.360 nan 0.000 0.441 145 L N 0.219 121.402 121.223 -0.066 0.000 2.179 145 L HA 0.082 4.434 4.340 0.020 0.000 0.208 145 L C 1.275 178.181 176.870 0.061 0.000 1.096 145 L CA 0.677 55.435 54.840 -0.137 0.000 0.779 145 L CB 0.021 41.973 42.059 -0.178 0.000 0.922 145 L HN 0.344 nan 8.230 nan 0.000 0.443 146 G N -2.228 106.623 108.800 0.086 0.000 2.600 146 G HA2 0.330 4.302 3.960 0.020 0.000 0.293 146 G HA3 0.330 4.302 3.960 0.020 0.000 0.293 146 G C -2.546 172.404 174.900 0.084 0.000 1.408 146 G CA -0.467 44.692 45.100 0.099 0.000 0.782 146 G HN -0.351 nan 8.290 nan 0.000 0.482 147 P HA -0.002 nan 4.420 nan 0.000 0.219 147 P C 1.105 178.401 177.300 -0.007 0.000 1.146 147 P CA 0.970 64.081 63.100 0.017 0.000 0.808 147 P CB 0.198 31.902 31.700 0.006 0.000 0.779 148 R N -2.225 118.277 120.500 0.005 0.000 2.629 148 R HA 0.214 4.566 4.340 0.020 0.000 0.386 148 R C -0.412 175.691 176.300 -0.327 0.000 1.071 148 R CA -0.157 55.864 56.100 -0.131 0.000 1.104 148 R CB 0.121 30.329 30.300 -0.154 0.000 1.370 148 R HN 0.306 nan 8.270 nan 0.000 0.574 149 H N 0.525 119.576 119.070 -0.032 0.000 2.953 149 H HA 0.259 4.826 4.556 0.018 0.000 0.290 149 H C -0.883 174.441 175.328 -0.006 0.000 1.113 149 H CA -0.508 55.527 56.048 -0.022 0.000 1.454 149 H CB 0.952 30.698 29.762 -0.027 0.000 1.525 149 H HN -0.113 nan 8.280 nan 0.000 0.505 150 R N 3.737 124.282 120.500 0.074 0.000 2.288 150 R HA 0.427 4.779 4.340 0.020 0.000 0.326 150 R C -1.596 174.823 176.300 0.198 0.000 0.959 150 R CA -0.885 55.294 56.100 0.131 0.000 0.834 150 R CB 0.423 30.773 30.300 0.083 0.000 1.157 150 R HN 0.322 nan 8.270 nan 0.000 0.470 151 L N 3.360 124.711 121.223 0.214 0.000 2.341 151 L HA 0.373 4.725 4.340 0.020 0.000 0.278 151 L C -0.206 176.759 176.870 0.158 0.000 1.005 151 L CA -0.269 54.684 54.840 0.187 0.000 0.818 151 L CB 1.889 44.040 42.059 0.153 0.000 1.259 151 L HN 0.596 nan 8.230 nan 0.000 0.418 152 Q N 1.870 121.678 119.800 0.012 0.000 2.257 152 Q HA 0.534 4.886 4.340 0.020 0.000 0.255 152 Q C -1.134 174.788 176.000 -0.129 0.000 0.920 152 Q CA -0.676 54.903 55.803 -0.373 0.000 0.927 152 Q CB 1.603 29.852 28.738 -0.815 0.000 1.229 152 Q HN 0.470 nan 8.270 nan 0.000 0.433 153 V N 6.062 125.876 119.914 -0.168 0.000 2.488 153 V HA 0.276 4.408 4.120 0.020 0.000 0.277 153 V C 0.063 176.008 176.094 -0.248 0.000 1.046 153 V CA -0.007 62.198 62.300 -0.158 0.000 0.986 153 V CB 0.735 32.511 31.823 -0.078 0.000 0.989 153 V HN 0.668 nan 8.190 nan 0.000 0.475 154 I N 3.798 124.205 120.570 -0.272 0.000 2.447 154 I HA 0.350 4.532 4.170 0.020 0.000 0.287 154 I C 0.219 176.188 176.117 -0.247 0.000 1.023 154 I CA -0.472 60.683 61.300 -0.241 0.000 1.083 154 I CB 1.877 39.749 38.000 -0.214 0.000 1.245 154 I HN 0.634 nan 8.210 nan 0.000 0.434 155 E N 5.157 125.214 120.200 -0.239 0.000 2.415 155 E HA 0.311 4.673 4.350 0.020 0.000 0.263 155 E C -0.215 176.231 176.600 -0.256 0.000 0.995 155 E CA -0.024 56.210 56.400 -0.275 0.000 0.915 155 E CB 0.838 30.312 29.700 -0.377 0.000 0.951 155 E HN 0.751 nan 8.360 nan 0.000 0.449 156 A N 5.631 128.350 122.820 -0.168 0.000 3.365 156 A HA 0.189 4.521 4.320 0.020 0.000 0.258 156 A C -0.983 176.589 177.584 -0.021 0.000 0.964 156 A CA -0.510 51.444 52.037 -0.138 0.000 0.988 156 A CB -0.016 18.891 19.000 -0.155 0.000 1.193 156 A HN 0.793 nan 8.150 nan 0.000 0.508 157 H N -0.732 118.293 119.070 -0.075 0.000 2.745 157 H HA 0.442 5.009 4.556 0.020 0.000 0.373 157 H C 1.474 176.782 175.328 -0.034 0.000 1.226 157 H CA 0.880 56.906 56.048 -0.036 0.000 1.435 157 H CB 0.937 30.686 29.762 -0.022 0.000 1.461 157 H HN 0.800 nan 8.280 nan 0.000 0.616 158 G N 0.184 109.076 108.800 0.153 0.000 3.330 158 G HA2 -0.307 3.665 3.960 0.020 0.000 0.197 158 G HA3 -0.307 3.665 3.960 0.020 0.000 0.197 158 G C 0.926 175.938 174.900 0.186 0.000 1.284 158 G CA 0.417 45.619 45.100 0.170 0.000 0.921 158 G HN 0.702 nan 8.290 nan 0.000 0.466 159 H N 2.122 121.262 119.070 0.116 0.000 2.319 159 H HA 0.277 4.845 4.556 0.020 0.000 0.299 159 H C 1.539 176.935 175.328 0.114 0.000 1.092 159 H CA 2.965 59.035 56.048 0.037 0.000 1.302 159 H CB 0.000 29.670 29.762 -0.153 0.000 1.373 159 H HN 0.844 nan 8.280 nan 0.000 0.497 160 S N -1.321 114.388 115.700 0.014 0.000 2.651 160 S HA 0.177 4.659 4.470 0.020 0.000 0.279 160 S C 0.191 174.756 174.600 -0.060 0.000 1.148 160 S CA -0.315 57.873 58.200 -0.020 0.000 0.837 160 S CB 1.619 64.751 63.200 -0.113 0.000 1.138 160 S HN 0.441 nan 8.310 nan 0.000 0.478 161 D N -0.414 119.907 120.400 -0.131 0.000 2.348 161 D HA -0.039 4.613 4.640 0.020 0.000 0.216 161 D C 0.842 176.731 176.300 -0.685 0.000 0.970 161 D CA 0.998 54.802 54.000 -0.327 0.000 0.889 161 D CB -0.102 40.575 40.800 -0.205 0.000 0.912 161 D HN 0.619 nan 8.370 nan 0.000 0.524 162 D N -1.235 118.950 120.400 -0.359 0.000 2.469 162 D HA -0.084 4.567 4.640 0.020 0.000 0.213 162 D C 0.234 176.542 176.300 0.012 0.000 1.135 162 D CA -0.398 53.463 54.000 -0.231 0.000 0.834 162 D CB -0.799 39.903 40.800 -0.164 0.000 1.009 162 D HN 0.245 nan 8.370 nan 0.000 0.507 163 H N 1.637 120.703 119.070 -0.008 0.000 2.886 163 H HA 0.271 4.839 4.556 0.020 0.000 0.329 163 H C -0.170 175.152 175.328 -0.010 0.000 1.044 163 H CA 0.237 56.271 56.048 -0.024 0.000 1.456 163 H CB 1.260 30.942 29.762 -0.134 0.000 1.464 163 H HN -0.005 nan 8.280 nan 0.000 0.573 164 V N 3.394 123.233 119.914 -0.124 0.000 3.074 164 V HA 0.712 4.843 4.120 0.020 0.000 0.314 164 V C -0.191 175.688 176.094 -0.358 0.000 1.117 164 V CA -0.711 61.461 62.300 -0.214 0.000 1.014 164 V CB 1.555 33.166 31.823 -0.354 0.000 1.057 164 V HN 0.553 nan 8.190 nan 0.000 0.438 165 V N -0.725 118.939 119.914 -0.417 0.000 3.046 165 V HA 0.823 4.955 4.120 0.020 0.000 0.316 165 V C -1.129 174.622 176.094 -0.573 0.000 1.104 165 V CA -0.799 61.282 62.300 -0.365 0.000 1.006 165 V CB 1.952 33.717 31.823 -0.097 0.000 1.058 165 V HN 0.826 nan 8.190 nan 0.000 0.440 166 F N 1.947 121.986 119.950 0.149 0.000 2.507 166 F HA 0.616 5.156 4.527 0.022 0.000 0.328 166 F C -0.816 175.151 175.800 0.278 0.000 1.136 166 F CA -0.604 57.494 58.000 0.163 0.000 0.930 166 F CB 1.778 40.856 39.000 0.130 0.000 1.166 166 F HN 0.681 nan 8.300 nan 0.000 0.436 167 Y N 3.667 124.085 120.300 0.196 0.000 2.334 167 Y HA 0.333 4.896 4.550 0.022 0.000 0.336 167 Y C -0.458 175.536 175.900 0.157 0.000 0.960 167 Y CA -1.597 56.575 58.100 0.120 0.000 1.164 167 Y CB 0.762 39.228 38.460 0.011 0.000 1.155 167 Y HN 0.543 nan 8.280 nan 0.000 0.478 168 D N 5.899 126.146 120.400 -0.256 0.000 2.374 168 D HA 0.052 4.704 4.640 0.020 0.000 0.240 168 D C 1.242 177.138 176.300 -0.674 0.000 1.229 168 D CA 0.152 53.988 54.000 -0.273 0.000 0.895 168 D CB 1.031 41.791 40.800 -0.068 0.000 1.046 168 D HN 0.564 nan 8.370 nan 0.000 0.498 169 V N 3.474 123.086 119.914 -0.503 0.000 2.515 169 V HA -0.143 3.989 4.120 0.020 0.000 0.250 169 V C 2.069 178.029 176.094 -0.224 0.000 1.058 169 V CA 0.830 62.878 62.300 -0.421 0.000 1.064 169 V CB -0.431 31.412 31.823 0.032 0.000 0.675 169 V HN 0.352 nan 8.190 nan 0.000 0.461 170 R N 0.983 121.376 120.500 -0.179 0.000 2.073 170 R HA 0.064 4.416 4.340 0.020 0.000 0.229 170 R C 2.336 178.555 176.300 -0.134 0.000 1.120 170 R CA 1.551 57.569 56.100 -0.137 0.000 0.967 170 R CB -0.430 29.779 30.300 -0.152 0.000 0.862 170 R HN 0.513 nan 8.270 nan 0.000 0.436 171 R N 0.337 120.739 120.500 -0.163 0.000 2.334 171 R HA 0.186 4.538 4.340 0.020 0.000 0.216 171 R C -0.085 176.151 176.300 -0.107 0.000 0.905 171 R CA -0.171 55.853 56.100 -0.127 0.000 1.064 171 R CB 0.251 30.477 30.300 -0.124 0.000 1.046 171 R HN 0.120 nan 8.270 nan 0.000 0.508 172 R N 1.108 121.527 120.500 -0.135 0.000 3.264 172 R HA -0.197 4.155 4.340 0.020 0.000 0.251 172 R C -0.449 175.877 176.300 0.043 0.000 0.971 172 R CA 0.581 56.687 56.100 0.010 0.000 0.658 172 R CB -1.606 28.732 30.300 0.062 0.000 1.095 172 R HN 0.233 nan 8.270 nan 0.000 0.443 173 R N 1.357 121.821 120.500 -0.060 0.000 2.439 173 R HA 0.430 4.782 4.340 0.020 0.000 0.310 173 R C -1.340 174.951 176.300 -0.015 0.000 0.955 173 R CA -0.863 55.174 56.100 -0.105 0.000 0.853 173 R CB 1.128 31.300 30.300 -0.214 0.000 1.171 173 R HN 0.094 nan 8.270 nan 0.000 0.449 174 L N 5.461 126.670 121.223 -0.023 0.000 2.319 174 L HA 0.468 4.819 4.340 0.020 0.000 0.281 174 L C -1.530 175.269 176.870 -0.119 0.000 1.005 174 L CA -0.257 54.630 54.840 0.078 0.000 0.828 174 L CB 1.111 43.212 42.059 0.071 0.000 1.227 174 L HN 0.552 nan 8.230 nan 0.000 0.415 175 F N 4.880 124.889 119.950 0.098 0.000 2.405 175 F HA 0.202 4.740 4.527 0.018 0.000 0.358 175 F C 1.307 177.174 175.800 0.112 0.000 1.151 175 F CA -0.351 57.704 58.000 0.091 0.000 1.161 175 F CB 0.440 39.550 39.000 0.183 0.000 1.245 175 F HN 0.702 nan 8.300 nan 0.000 0.545 176 C N 1.131 120.541 119.300 0.184 0.000 2.855 176 C HA 0.638 5.110 4.460 0.020 0.000 0.279 176 C C 1.551 176.634 174.990 0.155 0.000 1.270 176 C CA -0.244 58.828 59.018 0.090 0.000 1.702 176 C CB -1.268 26.434 27.740 -0.063 0.000 1.949 176 C HN 1.090 nan 8.230 nan 0.000 0.618 177 G N 2.103 111.058 108.800 0.258 0.000 2.634 177 G HA2 -0.309 3.663 3.960 0.020 0.000 0.309 177 G HA3 -0.309 3.663 3.960 0.020 0.000 0.309 177 G C 0.125 175.134 174.900 0.183 0.000 1.265 177 G CA 1.161 46.437 45.100 0.293 0.000 0.998 177 G HN 0.468 nan 8.290 nan 0.000 0.551 178 D N 1.262 121.685 120.400 0.038 0.000 2.368 178 D HA 0.478 5.130 4.640 0.020 0.000 0.218 178 D C 2.057 178.002 176.300 -0.592 0.000 1.112 178 D CA 0.886 54.696 54.000 -0.316 0.000 0.834 178 D CB 0.016 40.375 40.800 -0.736 0.000 0.953 178 D HN 0.683 nan 8.370 nan 0.000 0.505 179 A N 0.044 122.461 122.820 -0.672 0.000 2.067 179 A HA -0.068 4.264 4.320 0.020 0.000 0.219 179 A C 1.699 178.874 177.584 -0.681 0.000 1.158 179 A CA 0.826 52.408 52.037 -0.758 0.000 0.661 179 A CB -0.056 18.505 19.000 -0.731 0.000 0.801 179 A HN 0.162 nan 8.150 nan 0.000 0.452 180 L N -1.704 119.196 121.223 -0.538 0.000 2.607 180 L HA 0.381 4.733 4.340 0.020 0.000 0.228 180 L C 1.300 177.995 176.870 -0.292 0.000 1.123 180 L CA 1.104 55.535 54.840 -0.683 0.000 0.890 180 L CB -0.370 40.923 42.059 -1.277 0.000 1.103 180 L HN 0.613 nan 8.230 nan 0.000 0.468 181 G N -0.108 108.697 108.800 0.008 0.000 2.548 181 G HA2 -0.213 3.759 3.960 0.020 0.000 0.208 181 G HA3 -0.213 3.759 3.960 0.020 0.000 0.208 181 G C -0.451 174.716 174.900 0.445 0.000 1.308 181 G CA -0.392 44.857 45.100 0.249 0.000 0.924 181 G HN 0.123 nan 8.290 nan 0.000 0.540 182 E N -0.482 119.941 120.200 0.371 0.000 2.133 182 E HA 0.546 4.908 4.350 0.020 0.000 0.274 182 E C -0.745 175.972 176.600 0.195 0.000 0.930 182 E CA -0.864 55.730 56.400 0.325 0.000 0.770 182 E CB 0.712 30.510 29.700 0.163 0.000 1.104 182 E HN 0.547 nan 8.360 nan 0.000 0.403 183 F N 4.617 124.544 119.950 -0.037 0.000 2.506 183 F HA 0.075 4.615 4.527 0.021 0.000 0.371 183 F C 0.280 175.919 175.800 -0.269 0.000 1.078 183 F CA -0.261 57.447 58.000 -0.486 0.000 1.195 183 F CB 0.625 39.251 39.000 -0.623 0.000 1.099 183 F HN 0.388 nan 8.300 nan 0.000 0.548 184 D N 5.799 125.641 120.400 -0.930 0.000 2.338 184 D HA 0.013 4.665 4.640 0.020 0.000 0.255 184 D C 0.724 176.621 176.300 -0.673 0.000 1.237 184 D CA 0.193 53.822 54.000 -0.619 0.000 0.883 184 D CB 0.792 41.298 40.800 -0.491 0.000 1.087 184 D HN 0.751 nan 8.370 nan 0.000 0.485 185 E N 2.206 122.239 120.200 -0.278 0.000 2.268 185 E HA -0.123 4.238 4.350 0.020 0.000 0.195 185 E C 1.485 178.027 176.600 -0.097 0.000 0.995 185 E CA 0.667 57.003 56.400 -0.106 0.000 0.836 185 E CB 0.259 29.981 29.700 0.036 0.000 0.763 185 E HN 0.543 nan 8.360 nan 0.000 0.491 186 A N 0.686 123.438 122.820 -0.115 0.000 2.030 186 A HA -0.031 4.301 4.320 0.020 0.000 0.215 186 A C 1.732 179.261 177.584 -0.093 0.000 1.164 186 A CA 0.629 52.625 52.037 -0.068 0.000 0.697 186 A CB 0.315 19.297 19.000 -0.030 0.000 0.827 186 A HN -0.015 nan 8.150 nan 0.000 0.457 187 E N -1.853 118.243 120.200 -0.173 0.000 2.485 187 E HA 0.201 4.563 4.350 0.020 0.000 0.213 187 E C 1.002 177.467 176.600 -0.226 0.000 0.923 187 E CA 0.682 56.991 56.400 -0.152 0.000 1.054 187 E CB 0.387 30.021 29.700 -0.109 0.000 1.077 187 E HN 0.716 nan 8.360 nan 0.000 0.509 188 G N 2.126 110.650 108.800 -0.460 0.000 2.176 188 G HA2 -0.261 3.711 3.960 0.020 0.000 0.252 188 G HA3 -0.261 3.711 3.960 0.020 0.000 0.252 188 G C 0.425 175.049 174.900 -0.460 0.000 1.024 188 G CA 0.636 45.434 45.100 -0.503 0.000 0.755 188 G HN 0.264 nan 8.290 nan 0.000 0.507 189 V N -4.598 114.976 119.914 -0.567 0.000 3.046 189 V HA 0.913 5.045 4.120 0.020 0.000 0.316 189 V C 0.147 175.952 176.094 -0.482 0.000 1.104 189 V CA -2.411 59.689 62.300 -0.333 0.000 1.006 189 V CB 1.313 33.074 31.823 -0.103 0.000 1.058 189 V HN 0.324 nan 8.190 nan 0.000 0.440 190 W N 1.101 122.371 121.300 -0.050 0.000 2.316 190 W HA 0.682 5.353 4.660 0.019 0.000 0.311 190 W C 0.567 176.991 176.519 -0.158 0.000 1.217 190 W CA -0.349 56.969 57.345 -0.044 0.000 1.199 190 W CB 0.853 30.342 29.460 0.048 0.000 1.202 190 W HN 0.461 nan 8.180 nan 0.000 0.528 191 R N 4.037 124.482 120.500 -0.091 0.000 2.207 191 R HA 0.302 4.654 4.340 0.020 0.000 0.334 191 R C -2.343 173.854 176.300 -0.170 0.000 1.013 191 R CA -1.847 53.948 56.100 -0.508 0.000 0.858 191 R CB 0.348 29.917 30.300 -1.217 0.000 1.094 191 R HN 0.054 nan 8.270 nan 0.000 0.457 192 P HA -0.020 nan 4.420 nan 0.000 0.267 192 P C -0.616 176.630 177.300 -0.091 0.000 1.200 192 P CA 0.144 63.246 63.100 0.004 0.000 0.772 192 P CB 0.601 32.277 31.700 -0.040 0.000 0.855 193 L N 2.597 123.714 121.223 -0.175 0.000 2.529 193 L HA 0.266 4.618 4.340 0.020 0.000 0.246 193 L C -0.736 175.615 176.870 -0.866 0.000 1.394 193 L CA -0.584 53.957 54.840 -0.498 0.000 0.906 193 L CB 0.988 43.035 42.059 -0.019 0.000 1.170 193 L HN 0.045 nan 8.230 nan 0.000 0.501 194 V N 1.718 121.029 119.914 -1.006 0.000 2.288 194 V HA 0.210 4.342 4.120 0.020 0.000 0.266 194 V C 0.219 176.012 176.094 -0.502 0.000 1.048 194 V CA 0.009 61.827 62.300 -0.804 0.000 0.842 194 V CB 0.489 31.858 31.823 -0.756 0.000 1.064 194 V HN 0.444 nan 8.190 nan 0.000 0.472 195 F N 1.630 121.517 119.950 -0.105 0.000 2.682 195 F HA 0.289 4.828 4.527 0.019 0.000 0.308 195 F C 1.338 177.102 175.800 -0.060 0.000 1.093 195 F CA -0.421 57.526 58.000 -0.088 0.000 1.244 195 F CB 0.136 39.073 39.000 -0.104 0.000 1.052 195 F HN 0.498 nan 8.300 nan 0.000 0.573 196 D N -1.241 119.200 120.400 0.068 0.000 2.871 196 D HA 0.046 4.698 4.640 0.020 0.000 0.291 196 D C -0.494 175.816 176.300 0.017 0.000 1.150 196 D CA 0.535 54.562 54.000 0.045 0.000 0.999 196 D CB 0.724 41.541 40.800 0.030 0.000 1.452 196 D HN -0.082 nan 8.370 nan 0.000 0.465 197 D N 0.109 120.514 120.400 0.008 0.000 2.738 197 D HA 0.064 4.716 4.640 0.020 0.000 0.218 197 D C 0.231 176.535 176.300 0.007 0.000 1.345 197 D CA -0.289 53.717 54.000 0.010 0.000 0.943 197 D CB 1.088 41.906 40.800 0.030 0.000 1.514 197 D HN 0.146 nan 8.370 nan 0.000 0.585 198 M N 2.794 122.375 119.600 -0.032 0.000 2.175 198 M HA -0.059 4.433 4.480 0.020 0.000 0.264 198 M C 1.643 177.950 176.300 0.012 0.000 1.063 198 M CA 1.391 56.660 55.300 -0.051 0.000 1.119 198 M CB 0.206 32.753 32.600 -0.089 0.000 1.377 198 M HN 0.556 nan 8.290 nan 0.000 0.415 199 E N 0.096 120.303 120.200 0.011 0.000 2.058 199 E HA -0.232 4.130 4.350 0.020 0.000 0.194 199 E C 1.769 178.393 176.600 0.039 0.000 0.997 199 E CA 1.555 57.967 56.400 0.020 0.000 0.801 199 E CB -0.094 29.616 29.700 0.017 0.000 0.746 199 E HN 0.620 nan 8.360 nan 0.000 0.450 200 A N 0.143 122.996 122.820 0.054 0.000 1.898 200 A HA -0.194 4.138 4.320 0.020 0.000 0.216 200 A C 2.046 179.671 177.584 0.069 0.000 1.181 200 A CA 1.431 53.505 52.037 0.061 0.000 0.620 200 A CB -0.955 18.101 19.000 0.093 0.000 0.819 200 A HN 0.580 nan 8.150 nan 0.000 0.442 201 Y N 0.448 120.710 120.300 -0.063 0.000 2.128 201 Y HA -0.188 4.374 4.550 0.020 0.000 0.284 201 Y C 2.009 177.843 175.900 -0.110 0.000 1.154 201 Y CA 2.025 60.063 58.100 -0.103 0.000 1.149 201 Y CB -0.189 38.197 38.460 -0.124 0.000 0.976 201 Y HN 0.225 nan 8.280 nan 0.000 0.505 202 L N -0.124 121.154 121.223 0.092 0.000 2.056 202 L HA -0.167 4.185 4.340 0.020 0.000 0.207 202 L C 2.611 179.544 176.870 0.106 0.000 1.078 202 L CA 1.506 56.339 54.840 -0.011 0.000 0.749 202 L CB -0.615 41.356 42.059 -0.146 0.000 0.901 202 L HN 0.247 nan 8.230 nan 0.000 0.433 203 E N 0.255 120.487 120.200 0.055 0.000 2.110 203 E HA -0.178 4.184 4.350 0.020 0.000 0.193 203 E C 2.192 178.770 176.600 -0.037 0.000 0.988 203 E CA 1.459 57.876 56.400 0.028 0.000 0.804 203 E CB 0.139 29.842 29.700 0.005 0.000 0.745 203 E HN 0.366 nan 8.360 nan 0.000 0.458 204 S N 0.830 116.477 115.700 -0.088 0.000 2.368 204 S HA -0.104 4.378 4.470 0.020 0.000 0.225 204 S C 2.118 176.609 174.600 -0.181 0.000 1.030 204 S CA 0.958 59.061 58.200 -0.162 0.000 0.999 204 S CB -0.217 62.850 63.200 -0.221 0.000 0.844 204 S HN 0.271 nan 8.310 nan 0.000 0.459 205 L N 1.152 122.273 121.223 -0.171 0.000 2.141 205 L HA -0.108 4.244 4.340 0.020 0.000 0.209 205 L C 2.501 179.324 176.870 -0.079 0.000 1.094 205 L CA 1.118 55.875 54.840 -0.138 0.000 0.763 205 L CB -0.565 41.457 42.059 -0.061 0.000 0.908 205 L HN 0.344 nan 8.230 nan 0.000 0.437 206 E N -0.047 120.142 120.200 -0.019 0.000 2.058 206 E HA -0.226 4.136 4.350 0.020 0.000 0.194 206 E C 2.372 178.895 176.600 -0.128 0.000 0.997 206 E CA 1.092 57.428 56.400 -0.107 0.000 0.801 206 E CB -0.033 29.635 29.700 -0.053 0.000 0.746 206 E HN 0.381 nan 8.360 nan 0.000 0.450 207 R N 0.323 120.751 120.500 -0.119 0.000 2.075 207 R HA -0.059 4.293 4.340 0.020 0.000 0.232 207 R C 2.471 178.669 176.300 -0.170 0.000 1.126 207 R CA 0.854 56.873 56.100 -0.135 0.000 0.963 207 R CB -0.215 30.003 30.300 -0.135 0.000 0.858 207 R HN 0.185 nan 8.270 nan 0.000 0.435 208 L N 0.564 121.672 121.223 -0.192 0.000 2.141 208 L HA -0.182 4.170 4.340 0.020 0.000 0.209 208 L C 2.374 179.116 176.870 -0.214 0.000 1.094 208 L CA 1.219 55.922 54.840 -0.229 0.000 0.763 208 L CB -0.379 41.533 42.059 -0.245 0.000 0.908 208 L HN 0.250 nan 8.230 nan 0.000 0.437 209 Q N -0.013 119.677 119.800 -0.184 0.000 2.234 209 Q HA -0.185 4.167 4.340 0.020 0.000 0.206 209 Q C 2.020 177.931 176.000 -0.148 0.000 0.980 209 Q CA 1.238 56.943 55.803 -0.163 0.000 0.869 209 Q CB -0.012 28.623 28.738 -0.172 0.000 0.912 209 Q HN 0.479 nan 8.270 nan 0.000 0.436 210 R N -0.097 120.314 120.500 -0.149 0.000 2.313 210 R HA 0.123 4.475 4.340 0.020 0.000 0.199 210 R C 0.325 176.545 176.300 -0.132 0.000 0.958 210 R CA -0.132 55.894 56.100 -0.123 0.000 1.047 210 R CB 0.027 30.262 30.300 -0.108 0.000 0.955 210 R HN 0.167 nan 8.270 nan 0.000 0.481 211 L N 1.993 123.100 121.223 -0.194 0.000 2.482 211 L HA 0.078 4.430 4.340 0.020 0.000 0.273 211 L C -1.788 175.000 176.870 -0.135 0.000 1.228 211 L CA -1.705 52.987 54.840 -0.247 0.000 0.827 211 L CB -0.111 41.656 42.059 -0.486 0.000 1.099 211 L HN -0.176 nan 8.230 nan 0.000 0.494 212 P HA -0.017 nan 4.420 nan 0.000 0.266 212 P C -0.608 176.692 177.300 0.000 0.000 1.193 212 P CA -0.095 63.010 63.100 0.008 0.000 0.770 212 P CB 0.192 31.948 31.700 0.093 0.000 0.836 213 T N 3.053 117.608 114.554 0.001 0.000 2.891 213 T HA 0.023 4.385 4.350 0.020 0.000 0.296 213 T C 0.562 175.275 174.700 0.023 0.000 1.025 213 T CA 0.231 62.330 62.100 -0.002 0.000 1.149 213 T CB -0.343 68.524 68.868 -0.001 0.000 1.007 213 T HN 0.160 nan 8.240 nan 0.000 0.528 214 L N 3.938 125.168 121.223 0.013 0.000 2.395 214 L HA 0.283 4.635 4.340 0.020 0.000 0.269 214 L C 1.425 178.305 176.870 0.017 0.000 1.133 214 L CA -0.473 54.389 54.840 0.037 0.000 0.812 214 L CB 0.583 42.650 42.059 0.014 0.000 1.125 214 L HN 0.646 nan 8.230 nan 0.000 0.452 215 L N 1.081 122.311 121.223 0.011 0.000 2.357 215 L HA 0.166 4.518 4.340 0.020 0.000 0.211 215 L C 0.326 177.173 176.870 -0.038 0.000 1.075 215 L CA 0.523 55.355 54.840 -0.014 0.000 0.830 215 L CB 0.214 42.260 42.059 -0.021 0.000 0.996 215 L HN 0.654 nan 8.230 nan 0.000 0.467 216 Q N 0.570 120.337 119.800 -0.056 0.000 2.331 216 Q HA 0.541 4.893 4.340 0.020 0.000 0.272 216 Q C -1.671 174.252 176.000 -0.128 0.000 1.062 216 Q CA -0.520 55.219 55.803 -0.108 0.000 0.806 216 Q CB 3.373 32.016 28.738 -0.157 0.000 1.312 216 Q HN -0.091 nan 8.270 nan 0.000 0.431 217 L N 3.563 124.709 121.223 -0.129 0.000 2.406 217 L HA 0.583 4.935 4.340 0.020 0.000 0.272 217 L C -1.759 175.027 176.870 -0.139 0.000 0.980 217 L CA -0.249 54.527 54.840 -0.107 0.000 0.831 217 L CB 1.546 43.601 42.059 -0.007 0.000 1.253 217 L HN 0.658 nan 8.230 nan 0.000 0.406 218 I N 8.158 128.601 120.570 -0.212 0.000 2.495 218 I HA 0.387 4.569 4.170 0.020 0.000 0.277 218 I C -2.160 173.952 176.117 -0.008 0.000 1.045 218 I CA -1.502 59.652 61.300 -0.244 0.000 1.135 218 I CB 1.465 39.040 38.000 -0.708 0.000 1.241 218 I HN 0.468 nan 8.210 nan 0.000 0.469 219 P HA 0.132 nan 4.420 nan 0.000 0.289 219 P C 0.950 178.426 177.300 0.292 0.000 1.299 219 P CA -0.192 63.060 63.100 0.253 0.000 0.766 219 P CB 0.977 32.924 31.700 0.413 0.000 1.226 220 G N -1.593 107.375 108.800 0.279 0.000 2.598 220 G HA2 -0.041 3.931 3.960 0.020 0.000 0.215 220 G HA3 -0.041 3.931 3.960 0.020 0.000 0.215 220 G C 0.407 175.112 174.900 -0.325 0.000 1.131 220 G CA 0.575 45.755 45.100 0.133 0.000 0.785 220 G HN 0.567 nan 8.290 nan 0.000 0.539 221 H N -2.000 117.264 119.070 0.323 0.000 2.947 221 H HA 0.434 5.002 4.556 0.020 0.000 0.354 221 H C 0.735 176.200 175.328 0.229 0.000 1.085 221 H CA -0.131 56.044 56.048 0.213 0.000 1.253 221 H CB 1.668 31.573 29.762 0.239 0.000 1.757 221 H HN 0.200 nan 8.280 nan 0.000 0.523 222 G N 1.341 110.308 108.800 0.279 0.000 2.201 222 G HA2 0.005 3.977 3.960 0.020 0.000 0.212 222 G HA3 0.005 3.977 3.960 0.020 0.000 0.212 222 G C 0.612 175.609 174.900 0.161 0.000 0.994 222 G CA 0.354 45.589 45.100 0.225 0.000 0.644 222 G HN 1.524 nan 8.290 nan 0.000 0.508 223 G N -0.926 107.999 108.800 0.207 0.000 2.378 223 G HA2 0.280 4.251 3.960 0.020 0.000 0.198 223 G HA3 0.280 4.251 3.960 0.020 0.000 0.198 223 G C -0.528 174.445 174.900 0.122 0.000 1.223 223 G CA -0.037 45.188 45.100 0.209 0.000 1.088 223 G HN 1.575 nan 8.290 nan 0.000 0.530 224 L N 0.473 121.715 121.223 0.032 0.000 2.313 224 L HA 0.835 5.186 4.340 0.020 0.000 0.283 224 L C -0.250 176.547 176.870 -0.121 0.000 1.013 224 L CA -1.035 53.760 54.840 -0.074 0.000 0.816 224 L CB 1.089 43.107 42.059 -0.069 0.000 1.236 224 L HN 0.601 nan 8.230 nan 0.000 0.419 225 L N 5.442 126.570 121.223 -0.158 0.000 2.322 225 L HA 0.667 5.019 4.340 0.020 0.000 0.279 225 L C -0.037 176.770 176.870 -0.104 0.000 1.036 225 L CA -0.631 54.103 54.840 -0.177 0.000 0.807 225 L CB 1.547 43.467 42.059 -0.232 0.000 1.226 225 L HN 0.721 nan 8.230 nan 0.000 0.433 226 R N 0.993 121.447 120.500 -0.077 0.000 2.947 226 R HA 0.854 5.206 4.340 0.020 0.000 0.253 226 R C 0.173 176.459 176.300 -0.024 0.000 1.208 226 R CA -0.306 55.766 56.100 -0.047 0.000 1.012 226 R CB 0.726 31.000 30.300 -0.043 0.000 1.267 226 R HN 0.660 nan 8.270 nan 0.000 0.473 227 G N 0.771 109.564 108.800 -0.013 0.000 2.574 227 G HA2 -0.372 3.600 3.960 0.020 0.000 0.282 227 G HA3 -0.372 3.600 3.960 0.020 0.000 0.282 227 G C 0.465 175.372 174.900 0.012 0.000 1.257 227 G CA 0.558 45.658 45.100 0.000 0.000 0.956 227 G HN 0.686 nan 8.290 nan 0.000 0.560 228 R N -0.328 120.185 120.500 0.022 0.000 2.152 228 R HA 0.080 4.432 4.340 0.020 0.000 0.232 228 R C 2.789 179.125 176.300 0.060 0.000 1.117 228 R CA 1.413 57.535 56.100 0.037 0.000 0.981 228 R CB -0.359 29.964 30.300 0.039 0.000 0.870 228 R HN 0.491 nan 8.270 nan 0.000 0.451 229 L N -0.204 121.054 121.223 0.059 0.000 2.131 229 L HA -0.160 4.192 4.340 0.020 0.000 0.210 229 L C 2.560 179.499 176.870 0.114 0.000 1.092 229 L CA 1.192 56.089 54.840 0.095 0.000 0.759 229 L CB -0.516 41.558 42.059 0.025 0.000 0.903 229 L HN 0.249 nan 8.230 nan 0.000 0.435 230 A N -0.032 122.818 122.820 0.049 0.000 1.874 230 A HA -0.029 4.303 4.320 0.020 0.000 0.214 230 A C 2.543 180.148 177.584 0.035 0.000 1.189 230 A CA 1.298 53.358 52.037 0.038 0.000 0.615 230 A CB -0.638 18.358 19.000 -0.007 0.000 0.830 230 A HN 0.341 nan 8.150 nan 0.000 0.443 231 A N 0.837 123.673 122.820 0.028 0.000 1.940 231 A HA -0.153 4.179 4.320 0.020 0.000 0.219 231 A C 1.488 179.082 177.584 0.017 0.000 1.176 231 A CA 2.045 54.091 52.037 0.015 0.000 0.631 231 A CB -0.540 18.468 19.000 0.013 0.000 0.814 231 A HN 0.653 nan 8.150 nan 0.000 0.446 232 D N -1.869 118.562 120.400 0.052 0.000 2.424 232 D HA 0.257 4.909 4.640 0.020 0.000 0.220 232 D C 1.292 177.649 176.300 0.095 0.000 1.150 232 D CA 0.556 54.590 54.000 0.057 0.000 0.831 232 D CB -0.641 40.200 40.800 0.068 0.000 0.981 232 D HN 0.169 nan 8.370 nan 0.000 0.500 233 G N 0.892 109.755 108.800 0.105 0.000 2.459 233 G HA2 -0.223 3.749 3.960 0.020 0.000 0.217 233 G HA3 -0.223 3.749 3.960 0.020 0.000 0.217 233 G C 1.632 176.430 174.900 -0.170 0.000 1.183 233 G CA 1.165 46.342 45.100 0.129 0.000 0.776 233 G HN 0.442 nan 8.290 nan 0.000 0.552 234 A N 0.538 123.244 122.820 -0.190 0.000 1.898 234 A HA -0.014 4.318 4.320 0.020 0.000 0.216 234 A C 2.171 179.675 177.584 -0.133 0.000 1.181 234 A CA 2.050 53.943 52.037 -0.240 0.000 0.620 234 A CB -0.494 18.377 19.000 -0.214 0.000 0.819 234 A HN 0.507 nan 8.150 nan 0.000 0.442 235 E N -0.077 120.077 120.200 -0.078 0.000 2.051 235 E HA -0.156 4.206 4.350 0.020 0.000 0.192 235 E C 2.124 178.756 176.600 0.053 0.000 0.991 235 E CA 1.448 57.827 56.400 -0.035 0.000 0.799 235 E CB -0.110 29.567 29.700 -0.039 0.000 0.748 235 E HN 0.540 nan 8.360 nan 0.000 0.449 236 S N 0.276 116.025 115.700 0.081 0.000 2.368 236 S HA -0.136 4.346 4.470 0.020 0.000 0.225 236 S C 2.008 176.714 174.600 0.178 0.000 1.030 236 S CA 0.940 59.249 58.200 0.182 0.000 0.999 236 S CB -0.226 63.174 63.200 0.334 0.000 0.844 236 S HN 0.489 nan 8.310 nan 0.000 0.459 237 A N 0.244 123.049 122.820 -0.024 0.000 1.933 237 A HA -0.113 4.219 4.320 0.020 0.000 0.218 237 A C 1.907 179.524 177.584 0.054 0.000 1.175 237 A CA 1.399 53.371 52.037 -0.109 0.000 0.628 237 A CB -0.877 17.794 19.000 -0.549 0.000 0.814 237 A HN 0.601 nan 8.150 nan 0.000 0.444 238 Y N 0.969 121.231 120.300 -0.064 0.000 2.145 238 Y HA -0.206 4.356 4.550 0.020 0.000 0.286 238 Y C 2.759 178.685 175.900 0.043 0.000 1.145 238 Y CA 2.419 60.514 58.100 -0.009 0.000 1.148 238 Y CB -0.442 37.990 38.460 -0.048 0.000 0.981 238 Y HN 0.320 nan 8.280 nan 0.000 0.507 239 T N 0.434 115.163 114.554 0.291 0.000 2.720 239 T HA -0.179 4.183 4.350 0.020 0.000 0.268 239 T C 1.592 176.376 174.700 0.139 0.000 1.037 239 T CA 1.629 63.854 62.100 0.207 0.000 1.144 239 T CB -0.197 68.772 68.868 0.169 0.000 0.864 239 T HN 0.352 nan 8.240 nan 0.000 0.444 240 E N 0.394 120.686 120.200 0.152 0.000 2.150 240 E HA -0.082 4.280 4.350 0.020 0.000 0.193 240 E C 2.507 179.178 176.600 0.117 0.000 0.985 240 E CA 0.466 56.958 56.400 0.152 0.000 0.814 240 E CB -0.748 29.072 29.700 0.201 0.000 0.752 240 E HN 0.484 nan 8.360 nan 0.000 0.466 241 C N 0.730 120.078 119.300 0.080 0.000 2.432 241 C HA -0.069 4.403 4.460 0.020 0.000 0.277 241 C C 2.727 177.702 174.990 -0.025 0.000 1.249 241 C CA 0.446 59.468 59.018 0.008 0.000 1.725 241 C CB -1.142 26.592 27.740 -0.010 0.000 2.028 241 C HN 0.354 nan 8.230 nan 0.000 0.477 242 L N 0.354 121.552 121.223 -0.042 0.000 2.131 242 L HA -0.127 4.225 4.340 0.020 0.000 0.210 242 L C 2.943 179.831 176.870 0.031 0.000 1.092 242 L CA 1.730 56.559 54.840 -0.018 0.000 0.759 242 L CB -0.827 41.239 42.059 0.012 0.000 0.903 242 L HN 0.416 nan 8.230 nan 0.000 0.435 243 R N 0.275 120.810 120.500 0.059 0.000 2.075 243 R HA -0.197 4.155 4.340 0.020 0.000 0.232 243 R C 2.326 178.672 176.300 0.078 0.000 1.126 243 R CA 1.335 57.478 56.100 0.071 0.000 0.963 243 R CB -0.195 30.162 30.300 0.094 0.000 0.858 243 R HN 0.176 nan 8.270 nan 0.000 0.435 244 L N 0.615 121.894 121.223 0.093 0.000 2.083 244 L HA -0.180 4.172 4.340 0.020 0.000 0.209 244 L C 2.142 179.048 176.870 0.061 0.000 1.083 244 L CA 1.587 56.486 54.840 0.099 0.000 0.752 244 L CB -0.641 41.501 42.059 0.137 0.000 0.899 244 L HN 0.293 nan 8.230 nan 0.000 0.433 245 C N -0.667 118.655 119.300 0.035 0.000 2.413 245 C HA -0.181 4.291 4.460 0.020 0.000 0.276 245 C C 2.892 177.913 174.990 0.052 0.000 1.236 245 C CA 1.122 60.156 59.018 0.027 0.000 1.735 245 C CB -0.995 26.748 27.740 0.005 0.000 2.031 245 C HN 0.616 nan 8.230 nan 0.000 0.474 246 R N 1.314 121.848 120.500 0.057 0.000 2.083 246 R HA -0.092 4.260 4.340 0.020 0.000 0.237 246 R C 2.261 178.630 176.300 0.116 0.000 1.137 246 R CA 1.691 57.836 56.100 0.075 0.000 0.951 246 R CB -0.633 29.695 30.300 0.046 0.000 0.851 246 R HN 0.523 nan 8.270 nan 0.000 0.434 247 R N -0.270 120.289 120.500 0.098 0.000 2.073 247 R HA -0.118 4.234 4.340 0.020 0.000 0.234 247 R C 2.256 178.646 176.300 0.150 0.000 1.134 247 R CA 1.545 57.721 56.100 0.128 0.000 0.952 247 R CB -0.731 29.618 30.300 0.082 0.000 0.850 247 R HN 0.199 nan 8.270 nan 0.000 0.433 248 L N 0.854 122.133 121.223 0.093 0.000 2.017 248 L HA -0.150 4.201 4.340 0.020 0.000 0.208 248 L C 1.875 178.788 176.870 0.071 0.000 1.073 248 L CA 1.690 56.569 54.840 0.064 0.000 0.745 248 L CB -0.428 41.654 42.059 0.037 0.000 0.894 248 L HN 0.052 nan 8.230 nan 0.000 0.432 249 L N -1.093 120.185 121.223 0.091 0.000 2.083 249 L HA -0.237 4.115 4.340 0.020 0.000 0.209 249 L C 2.310 179.254 176.870 0.124 0.000 1.083 249 L CA 1.920 56.812 54.840 0.086 0.000 0.752 249 L CB -1.339 40.773 42.059 0.089 0.000 0.899 249 L HN 0.574 nan 8.230 nan 0.000 0.433 250 W N 0.849 122.147 121.300 -0.002 0.000 2.355 250 W HA -0.223 4.449 4.660 0.020 0.000 0.309 250 W C 2.499 179.015 176.519 -0.005 0.000 1.206 250 W CA 1.432 58.776 57.345 -0.002 0.000 1.284 250 W CB -0.125 29.335 29.460 0.000 0.000 1.145 250 W HN 0.098 nan 8.180 nan 0.000 0.502 251 R N 0.164 120.664 120.500 -0.000 0.000 2.081 251 R HA -0.193 4.159 4.340 0.020 0.000 0.235 251 R C 2.448 178.654 176.300 -0.157 0.000 1.131 251 R CA 2.000 58.031 56.100 -0.117 0.000 0.960 251 R CB -0.697 29.609 30.300 0.010 0.000 0.856 251 R HN 0.340 nan 8.270 nan 0.000 0.436 252 Q N -0.018 119.727 119.800 -0.093 0.000 2.170 252 Q HA -0.143 4.209 4.340 0.020 0.000 0.203 252 Q C 2.194 178.112 176.000 -0.137 0.000 0.976 252 Q CA 1.797 57.546 55.803 -0.090 0.000 0.858 252 Q CB -0.048 28.663 28.738 -0.045 0.000 0.907 252 Q HN 0.378 nan 8.270 nan 0.000 0.433 253 S N 0.007 115.590 115.700 -0.195 0.000 2.423 253 S HA -0.078 4.404 4.470 0.020 0.000 0.231 253 S C 1.812 176.225 174.600 -0.312 0.000 1.014 253 S CA 0.771 58.830 58.200 -0.235 0.000 0.965 253 S CB -0.121 62.930 63.200 -0.249 0.000 0.785 253 S HN 0.289 nan 8.310 nan 0.000 0.495 254 M N 0.620 119.982 119.600 -0.397 0.000 2.595 254 M HA 0.244 4.736 4.480 0.020 0.000 0.248 254 M C 1.632 177.818 176.300 -0.191 0.000 1.119 254 M CA 0.687 55.787 55.300 -0.333 0.000 1.079 254 M CB -0.003 32.362 32.600 -0.392 0.000 1.472 254 M HN 0.649 nan 8.290 nan 0.000 0.501 255 G N 0.890 109.597 108.800 -0.154 0.000 2.159 255 G HA2 -0.189 3.783 3.960 0.020 0.000 0.227 255 G HA3 -0.189 3.783 3.960 0.020 0.000 0.227 255 G C -0.231 174.621 174.900 -0.081 0.000 0.986 255 G CA -0.385 44.655 45.100 -0.101 0.000 0.651 255 G HN 0.494 nan 8.290 nan 0.000 0.523 256 E N 1.444 121.591 120.200 -0.088 0.000 2.392 256 E HA 0.402 4.764 4.350 0.020 0.000 0.264 256 E C 1.107 177.678 176.600 -0.048 0.000 1.024 256 E CA 0.461 56.824 56.400 -0.061 0.000 0.903 256 E CB 0.696 30.361 29.700 -0.057 0.000 0.963 256 E HN 0.575 nan 8.360 nan 0.000 0.432 257 S N 2.424 118.102 115.700 -0.037 0.000 2.603 257 S HA 0.105 4.587 4.470 0.020 0.000 0.268 257 S C 1.275 175.859 174.600 -0.026 0.000 1.317 257 S CA -0.719 57.463 58.200 -0.030 0.000 1.012 257 S CB 0.642 63.825 63.200 -0.027 0.000 0.926 257 S HN 0.543 nan 8.310 nan 0.000 0.539 258 L N 0.466 121.676 121.223 -0.023 0.000 2.189 258 L HA -0.150 4.202 4.340 0.020 0.000 0.214 258 L C 1.898 178.756 176.870 -0.019 0.000 1.097 258 L CA 1.337 56.166 54.840 -0.018 0.000 0.764 258 L CB -0.712 41.337 42.059 -0.016 0.000 0.900 258 L HN 0.705 nan 8.230 nan 0.000 0.436 259 D N -0.259 120.129 120.400 -0.021 0.000 2.219 259 D HA -0.199 4.453 4.640 0.020 0.000 0.205 259 D C 1.969 178.258 176.300 -0.018 0.000 0.970 259 D CA 1.008 54.995 54.000 -0.021 0.000 0.851 259 D CB 0.151 40.938 40.800 -0.022 0.000 0.943 259 D HN 0.460 nan 8.370 nan 0.000 0.488 260 E N 0.200 120.389 120.200 -0.019 0.000 2.015 260 E HA -0.155 4.207 4.350 0.020 0.000 0.191 260 E C 2.088 178.674 176.600 -0.023 0.000 0.991 260 E CA 0.417 56.806 56.400 -0.019 0.000 0.802 260 E CB -0.038 29.650 29.700 -0.020 0.000 0.759 260 E HN 0.022 nan 8.360 nan 0.000 0.447 261 L N 0.792 121.999 121.223 -0.027 0.000 2.083 261 L HA -0.134 4.218 4.340 0.020 0.000 0.209 261 L C 2.213 179.052 176.870 -0.052 0.000 1.083 261 L CA 1.778 56.592 54.840 -0.042 0.000 0.752 261 L CB -0.581 41.460 42.059 -0.030 0.000 0.899 261 L HN 0.054 nan 8.230 nan 0.000 0.433 262 S N -0.369 115.314 115.700 -0.028 0.000 2.359 262 S HA -0.224 4.258 4.470 0.020 0.000 0.224 262 S C 1.784 176.393 174.600 0.014 0.000 1.035 262 S CA 1.703 59.895 58.200 -0.014 0.000 1.018 262 S CB -0.359 62.831 63.200 -0.017 0.000 0.876 262 S HN 0.577 nan 8.310 nan 0.000 0.448 263 E N 0.462 120.671 120.200 0.014 0.000 2.106 263 E HA -0.172 4.190 4.350 0.020 0.000 0.192 263 E C 2.176 178.798 176.600 0.035 0.000 0.984 263 E CA 1.005 57.438 56.400 0.055 0.000 0.806 263 E CB -0.084 29.635 29.700 0.032 0.000 0.750 263 E HN 0.383 nan 8.360 nan 0.000 0.458 264 E N 1.313 121.494 120.200 -0.032 0.000 2.051 264 E HA -0.153 4.209 4.350 0.020 0.000 0.192 264 E C 1.918 178.409 176.600 -0.182 0.000 0.991 264 E CA 1.065 57.410 56.400 -0.092 0.000 0.799 264 E CB -0.238 29.399 29.700 -0.104 0.000 0.748 264 E HN 0.205 nan 8.360 nan 0.000 0.449 265 L N -0.245 120.842 121.223 -0.227 0.000 2.083 265 L HA -0.162 4.190 4.340 0.020 0.000 0.209 265 L C 2.600 179.443 176.870 -0.044 0.000 1.083 265 L CA 1.531 56.117 54.840 -0.424 0.000 0.752 265 L CB -0.658 41.172 42.059 -0.383 0.000 0.899 265 L HN 0.315 nan 8.230 nan 0.000 0.433 266 H N 0.449 119.544 119.070 0.042 0.000 2.353 266 H HA -0.204 4.364 4.556 0.020 0.000 0.300 266 H C 2.308 177.688 175.328 0.087 0.000 1.090 266 H CA 1.887 58.066 56.048 0.219 0.000 1.327 266 H CB 0.052 29.916 29.762 0.170 0.000 1.383 266 H HN 0.009 nan 8.280 nan 0.000 0.508 267 R N 0.697 121.139 120.500 -0.097 0.000 2.073 267 R HA -0.001 4.351 4.340 0.020 0.000 0.234 267 R C 2.360 178.583 176.300 -0.128 0.000 1.134 267 R CA 1.805 57.810 56.100 -0.158 0.000 0.952 267 R CB -1.101 29.148 30.300 -0.085 0.000 0.850 267 R HN 0.388 nan 8.270 nan 0.000 0.433 268 A N -1.148 121.588 122.820 -0.140 0.000 1.929 268 A HA -0.069 4.263 4.320 0.020 0.000 0.216 268 A C 1.388 179.058 177.584 0.143 0.000 1.176 268 A CA 1.309 53.281 52.037 -0.109 0.000 0.628 268 A CB -0.549 18.238 19.000 -0.356 0.000 0.816 268 A HN 0.537 nan 8.150 nan 0.000 0.444 269 W N -1.508 119.796 121.300 0.007 0.000 2.873 269 W HA 0.286 4.959 4.660 0.021 0.000 0.282 269 W C 2.144 178.547 176.519 -0.194 0.000 1.118 269 W CA -0.292 57.063 57.345 0.018 0.000 1.480 269 W CB -1.060 28.520 29.460 0.200 0.000 0.954 269 W HN 0.340 nan 8.180 nan 0.000 0.591 270 G N 0.847 109.508 108.800 -0.232 0.000 2.448 270 G HA2 -0.161 3.811 3.960 0.020 0.000 0.219 270 G HA3 -0.161 3.811 3.960 0.020 0.000 0.219 270 G C 1.827 176.491 174.900 -0.393 0.000 1.127 270 G CA 1.271 45.903 45.100 -0.781 0.000 0.766 270 G HN 0.299 nan 8.290 nan 0.000 0.552 271 G N 0.027 108.701 108.800 -0.211 0.000 2.450 271 G HA2 -0.245 3.727 3.960 0.020 0.000 0.220 271 G HA3 -0.245 3.727 3.960 0.020 0.000 0.220 271 G C 1.640 176.492 174.900 -0.080 0.000 1.130 271 G CA 1.091 46.117 45.100 -0.122 0.000 0.760 271 G HN 0.527 nan 8.290 nan 0.000 0.557 272 Q N 0.516 120.281 119.800 -0.058 0.000 2.224 272 Q HA -0.072 4.280 4.340 0.020 0.000 0.203 272 Q C 2.223 178.224 176.000 0.003 0.000 0.970 272 Q CA 1.538 57.345 55.803 0.006 0.000 0.865 272 Q CB -0.011 28.749 28.738 0.037 0.000 0.922 272 Q HN 0.598 nan 8.270 nan 0.000 0.445 273 S N -1.538 114.062 115.700 -0.167 0.000 2.593 273 S HA 0.059 4.541 4.470 0.020 0.000 0.236 273 S C 1.502 175.800 174.600 -0.503 0.000 0.991 273 S CA 0.230 58.118 58.200 -0.520 0.000 0.963 273 S CB 0.390 63.178 63.200 -0.686 0.000 0.865 273 S HN 0.301 nan 8.310 nan 0.000 0.488 274 V N -0.283 119.503 119.914 -0.214 0.000 2.469 274 V HA -0.172 3.960 4.120 0.020 0.000 0.251 274 V C 1.835 177.893 176.094 -0.059 0.000 1.064 274 V CA 2.069 64.296 62.300 -0.123 0.000 1.066 274 V CB -0.928 30.858 31.823 -0.061 0.000 0.667 274 V HN 0.293 nan 8.190 nan 0.000 0.461 275 D N 0.735 121.145 120.400 0.017 0.000 2.264 275 D HA -0.035 4.617 4.640 0.020 0.000 0.208 275 D C 1.498 177.943 176.300 0.241 0.000 0.966 275 D CA 1.934 56.018 54.000 0.141 0.000 0.864 275 D CB -0.001 40.933 40.800 0.224 0.000 0.933 275 D HN 0.868 nan 8.370 nan 0.000 0.499 276 F N -1.527 118.493 119.950 0.118 0.000 2.856 276 F HA 0.356 4.895 4.527 0.021 0.000 0.338 276 F C -0.332 175.630 175.800 0.271 0.000 1.100 276 F CA -0.850 57.259 58.000 0.181 0.000 1.150 276 F CB 0.400 39.502 39.000 0.171 0.000 1.101 276 F HN -0.262 nan 8.300 nan 0.000 0.548 277 L N 3.081 124.201 121.223 -0.172 0.000 2.446 277 L HA 0.712 5.064 4.340 0.020 0.000 0.268 277 L C -2.956 173.892 176.870 -0.037 0.000 0.975 277 L CA -2.596 52.218 54.840 -0.043 0.000 0.848 277 L CB 1.414 43.377 42.059 -0.160 0.000 1.225 277 L HN -0.204 nan 8.230 nan 0.000 0.410 278 P HA 0.161 nan 4.420 nan 0.000 0.264 278 P C 0.861 178.175 177.300 0.024 0.000 1.183 278 P CA 0.329 63.421 63.100 -0.013 0.000 0.763 278 P CB 0.797 32.470 31.700 -0.045 0.000 0.807 279 G N 3.040 111.874 108.800 0.056 0.000 2.469 279 G HA2 -0.268 3.704 3.960 0.020 0.000 0.219 279 G HA3 -0.268 3.704 3.960 0.020 0.000 0.219 279 G C 1.185 176.102 174.900 0.029 0.000 1.150 279 G CA 0.520 45.715 45.100 0.158 0.000 0.763 279 G HN 0.443 nan 8.290 nan 0.000 0.561 280 E N 0.013 120.192 120.200 -0.035 0.000 2.153 280 E HA -0.069 4.293 4.350 0.020 0.000 0.194 280 E C 2.432 178.960 176.600 -0.121 0.000 0.988 280 E CA 0.449 56.785 56.400 -0.107 0.000 0.811 280 E CB -0.412 29.244 29.700 -0.073 0.000 0.746 280 E HN 0.436 nan 8.360 nan 0.000 0.466 281 L N 0.788 121.963 121.223 -0.081 0.000 2.109 281 L HA -0.097 4.255 4.340 0.020 0.000 0.207 281 L C 2.346 179.160 176.870 -0.094 0.000 1.086 281 L CA 1.704 56.483 54.840 -0.101 0.000 0.760 281 L CB -0.619 41.379 42.059 -0.102 0.000 0.910 281 L HN 0.189 nan 8.230 nan 0.000 0.437 282 H N -0.642 118.377 119.070 -0.085 0.000 2.319 282 H HA -0.189 4.378 4.556 0.020 0.000 0.299 282 H C 2.160 177.443 175.328 -0.075 0.000 1.092 282 H CA 2.328 58.373 56.048 -0.006 0.000 1.302 282 H CB 0.017 29.877 29.762 0.164 0.000 1.373 282 H HN 0.382 nan 8.280 nan 0.000 0.497 283 L N 0.917 121.968 121.223 -0.288 0.000 2.046 283 L HA -0.043 4.309 4.340 0.020 0.000 0.208 283 L C 2.739 179.476 176.870 -0.222 0.000 1.077 283 L CA 2.147 56.754 54.840 -0.389 0.000 0.747 283 L CB -1.143 40.547 42.059 -0.615 0.000 0.896 283 L HN 0.347 nan 8.230 nan 0.000 0.432 284 G N -1.674 107.004 108.800 -0.203 0.000 2.422 284 G HA2 -0.236 3.736 3.960 0.020 0.000 0.218 284 G HA3 -0.236 3.736 3.960 0.020 0.000 0.218 284 G C 1.557 176.345 174.900 -0.187 0.000 1.146 284 G CA 0.890 45.892 45.100 -0.165 0.000 0.769 284 G HN 0.496 nan 8.290 nan 0.000 0.547 285 S N 0.436 115.971 115.700 -0.275 0.000 2.368 285 S HA -0.056 4.426 4.470 0.020 0.000 0.224 285 S C 2.458 176.997 174.600 -0.102 0.000 1.029 285 S CA 1.120 59.073 58.200 -0.412 0.000 0.988 285 S CB -0.179 62.594 63.200 -0.712 0.000 0.838 285 S HN 0.187 nan 8.310 nan 0.000 0.462 286 M N 1.196 120.741 119.600 -0.092 0.000 2.117 286 M HA -0.033 4.459 4.480 0.020 0.000 0.262 286 M C 2.212 178.534 176.300 0.038 0.000 1.065 286 M CA 1.378 56.702 55.300 0.039 0.000 1.114 286 M CB -1.205 31.394 32.600 -0.002 0.000 1.361 286 M HN 0.272 nan 8.290 nan 0.000 0.408 287 R N 0.081 120.568 120.500 -0.021 0.000 2.081 287 R HA -0.197 4.155 4.340 0.020 0.000 0.235 287 R C 2.368 178.671 176.300 0.005 0.000 1.131 287 R CA 1.723 57.813 56.100 -0.017 0.000 0.960 287 R CB -0.142 30.132 30.300 -0.043 0.000 0.856 287 R HN 0.079 nan 8.270 nan 0.000 0.436 288 R N 0.978 121.480 120.500 0.004 0.000 2.073 288 R HA -0.125 4.227 4.340 0.020 0.000 0.234 288 R C 2.209 178.567 176.300 0.097 0.000 1.134 288 R CA 2.222 58.342 56.100 0.034 0.000 0.952 288 R CB -0.703 29.600 30.300 0.005 0.000 0.850 288 R HN 0.400 nan 8.270 nan 0.000 0.433 289 M N -0.329 119.384 119.600 0.188 0.000 2.080 289 M HA -0.163 4.328 4.480 0.020 0.000 0.260 289 M C 1.680 178.009 176.300 0.048 0.000 1.068 289 M CA 1.815 57.203 55.300 0.145 0.000 1.109 289 M CB -0.117 32.593 32.600 0.184 0.000 1.342 289 M HN 0.255 nan 8.290 nan 0.000 0.405 290 L N -0.275 120.977 121.223 0.048 0.000 2.093 290 L HA -0.164 4.188 4.340 0.020 0.000 0.208 290 L C 2.268 179.143 176.870 0.008 0.000 1.085 290 L CA 1.278 56.130 54.840 0.021 0.000 0.755 290 L CB -0.844 41.225 42.059 0.016 0.000 0.904 290 L HN 0.395 nan 8.230 nan 0.000 0.435 291 E N 0.523 120.729 120.200 0.010 0.000 2.085 291 E HA -0.236 4.126 4.350 0.020 0.000 0.194 291 E C 2.265 178.865 176.600 -0.001 0.000 0.994 291 E CA 1.343 57.744 56.400 0.002 0.000 0.801 291 E CB -0.119 29.582 29.700 0.002 0.000 0.743 291 E HN 0.484 nan 8.360 nan 0.000 0.453 292 I N 0.480 121.051 120.570 0.002 0.000 2.202 292 I HA -0.265 3.916 4.170 0.020 0.000 0.242 292 I C 2.143 178.246 176.117 -0.024 0.000 1.091 292 I CA 0.672 61.966 61.300 -0.011 0.000 1.368 292 I CB -0.126 37.866 38.000 -0.015 0.000 1.058 292 I HN 0.098 nan 8.210 nan 0.000 0.410 293 L N 0.127 121.332 121.223 -0.031 0.000 2.046 293 L HA -0.213 4.138 4.340 0.020 0.000 0.208 293 L C 2.735 179.595 176.870 -0.016 0.000 1.077 293 L CA 1.763 56.583 54.840 -0.034 0.000 0.747 293 L CB -1.029 41.011 42.059 -0.032 0.000 0.896 293 L HN 0.191 nan 8.230 nan 0.000 0.432 294 S N -0.792 114.902 115.700 -0.009 0.000 2.368 294 S HA -0.254 4.228 4.470 0.020 0.000 0.225 294 S C 2.275 176.871 174.600 -0.006 0.000 1.030 294 S CA 1.440 59.637 58.200 -0.005 0.000 0.999 294 S CB -0.134 63.063 63.200 -0.005 0.000 0.844 294 S HN 0.359 nan 8.310 nan 0.000 0.459 295 R N 0.850 121.345 120.500 -0.008 0.000 2.092 295 R HA 0.112 4.464 4.340 0.020 0.000 0.231 295 R C 2.130 178.426 176.300 -0.006 0.000 1.119 295 R CA 1.842 57.938 56.100 -0.007 0.000 0.970 295 R CB -0.399 29.898 30.300 -0.006 0.000 0.864 295 R HN 0.519 nan 8.270 nan 0.000 0.440 296 Q N -0.866 118.928 119.800 -0.010 0.000 2.317 296 Q HA 0.374 4.726 4.340 0.020 0.000 0.220 296 Q C -0.253 175.741 176.000 -0.009 0.000 0.873 296 Q CA 0.192 55.989 55.803 -0.010 0.000 0.936 296 Q CB 0.937 29.666 28.738 -0.015 0.000 1.105 296 Q HN 0.294 nan 8.270 nan 0.000 0.520 297 A N 0.773 123.588 122.820 -0.009 0.000 2.425 297 A HA 0.612 4.944 4.320 0.020 0.000 0.249 297 A C -0.082 177.505 177.584 0.004 0.000 1.084 297 A CA 0.350 52.384 52.037 -0.006 0.000 0.781 297 A CB 0.061 19.060 19.000 -0.002 0.000 1.019 297 A HN 0.274 nan 8.150 nan 0.000 0.490 298 L N 0.000 121.228 121.223 0.009 0.000 2.949 298 L HA 0.000 4.352 4.340 0.020 0.000 0.249 298 L CA 0.000 nan 54.840 nan 0.000 0.813 298 L CB 0.000 nan 42.059 nan 0.000 0.961 298 L HN 0.000 nan 8.230 nan 0.000 0.502