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 1hg8_1_A DATA FIRST_RESID 25 DATA SEQUENCE DPcSVTEYSG LATAVSScKN IVLNGFQVPT GKQLDLSSLQ NDSTVTFKGT DATA SEQUENCE TTFATTADND FNPIVISGSN ITITGASGHV IDGNGQAYWD GKGSNSNSNQ DATA SEQUENCE KPDHFIVVQK TTGNSKITNL NIQNWPVHCF DITGSSQLTI SGLILDNRAG DATA SEQUENCE DKPNAKSGSL PAAHNTDGFD ISSSDHVTLD NNHVYNQDDc VAVTSGTNIV DATA SEQUENCE VSNMYcSGGH GLSIGSVGGK SDNVVDGVQF LSSQVVNSQN GCRIKSNSGA DATA SEQUENCE TGTINNVTYQ NIALTNISTY GVDVQQDYLN GGPTGKPTNG VKISNIKFIK DATA SEQUENCE VTGTVASSAQ DWFILcGDGS cSGFTFSGNA ITGGGKTSSc NYPTNTcPS 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 25 D HA 0.000 nan 4.640 nan 0.000 0.175 25 D C 0.000 176.288 176.300 -0.021 0.000 2.045 25 D CA 0.000 53.991 54.000 -0.015 0.000 0.868 25 D CB 0.000 40.794 40.800 -0.010 0.000 0.688 26 P HA 0.014 nan 4.420 nan 0.000 0.223 26 P C 1.188 178.468 177.300 -0.033 0.000 1.151 26 P CA 0.440 63.520 63.100 -0.033 0.000 0.787 26 P CB 0.151 31.832 31.700 -0.032 0.000 0.788 27 c N -1.115 117.470 118.600 -0.025 0.000 2.539 27 c HA 0.167 4.736 4.570 -0.002 0.000 0.268 27 c C 1.566 175.644 174.090 -0.021 0.000 1.395 27 c CA 0.103 56.417 56.329 -0.025 0.000 1.757 27 c CB -1.433 41.064 42.510 -0.021 0.000 1.851 27 c HN 0.215 nan 8.230 nan 0.000 0.545 28 S N 1.422 117.113 115.700 -0.015 0.000 2.466 28 S HA 0.430 4.899 4.470 -0.002 0.000 0.313 28 S C -0.355 174.248 174.600 0.005 0.000 1.078 28 S CA -0.194 58.005 58.200 -0.001 0.000 1.115 28 S CB 0.008 63.209 63.200 0.003 0.000 1.006 28 S HN 0.229 nan 8.310 nan 0.000 0.487 29 V N 5.776 125.706 119.914 0.028 0.000 2.455 29 V HA 0.223 4.342 4.120 -0.002 0.000 0.273 29 V C 1.542 177.700 176.094 0.106 0.000 1.045 29 V CA 0.040 62.356 62.300 0.027 0.000 0.976 29 V CB 0.665 32.531 31.823 0.072 0.000 0.993 29 V HN 0.973 nan 8.190 nan 0.000 0.475 30 T N 0.760 115.306 114.554 -0.013 0.000 3.014 30 T HA 0.220 4.569 4.350 -0.002 0.000 0.250 30 T C 0.334 174.966 174.700 -0.114 0.000 1.060 30 T CA 0.053 62.185 62.100 0.053 0.000 1.040 30 T CB 0.107 68.987 68.868 0.020 0.000 0.971 30 T HN 0.798 nan 8.240 nan 0.000 0.497 31 E N -0.690 119.224 120.200 -0.477 0.000 2.408 31 E HA 0.346 4.694 4.350 -0.002 0.000 0.275 31 E C -0.104 175.897 176.600 -0.999 0.000 0.935 31 E CA -1.234 54.721 56.400 -0.741 0.000 0.775 31 E CB 0.674 30.204 29.700 -0.284 0.000 1.277 31 E HN -0.082 nan 8.360 nan 0.000 0.455 32 Y N 2.373 122.050 120.300 -1.039 0.000 2.241 32 Y HA -0.253 4.296 4.550 -0.002 0.000 0.286 32 Y C 2.189 177.915 175.900 -0.290 0.000 1.166 32 Y CA 2.527 60.281 58.100 -0.576 0.000 1.203 32 Y CB -0.116 38.240 38.460 -0.173 0.000 0.977 32 Y HN 0.629 nan 8.280 nan 0.000 0.529 33 S N -1.489 114.015 115.700 -0.328 0.000 2.507 33 S HA -0.001 4.468 4.470 -0.002 0.000 0.235 33 S C 1.895 176.316 174.600 -0.297 0.000 0.988 33 S CA 0.701 58.726 58.200 -0.291 0.000 0.944 33 S CB -0.642 62.477 63.200 -0.134 0.000 0.762 33 S HN 0.515 nan 8.310 nan 0.000 0.526 34 G N 0.331 108.939 108.800 -0.321 0.000 3.277 34 G HA2 0.346 4.304 3.960 -0.002 0.000 0.243 34 G HA3 0.346 4.304 3.960 -0.002 0.000 0.243 34 G C 0.872 175.646 174.900 -0.209 0.000 1.107 34 G CA 0.026 44.991 45.100 -0.225 0.000 0.771 34 G HN 0.392 nan 8.290 nan 0.000 0.544 35 L N 1.531 122.582 121.223 -0.288 0.000 1.988 35 L HA 0.248 4.587 4.340 -0.002 0.000 0.207 35 L C 2.954 179.739 176.870 -0.141 0.000 1.071 35 L CA 2.354 57.085 54.840 -0.181 0.000 0.744 35 L CB -0.661 41.279 42.059 -0.199 0.000 0.893 35 L HN 0.161 nan 8.230 nan 0.000 0.433 36 A N -1.219 121.490 122.820 -0.186 0.000 1.884 36 A HA -0.307 4.012 4.320 -0.002 0.000 0.219 36 A C 2.311 179.846 177.584 -0.081 0.000 1.197 36 A CA 2.854 54.822 52.037 -0.115 0.000 0.637 36 A CB -1.504 17.423 19.000 -0.121 0.000 0.827 36 A HN 0.543 nan 8.150 nan 0.000 0.450 37 T N 0.019 114.519 114.554 -0.090 0.000 2.759 37 T HA -0.029 4.320 4.350 -0.002 0.000 0.269 37 T C 2.154 176.821 174.700 -0.054 0.000 1.042 37 T CA 1.659 63.720 62.100 -0.066 0.000 1.140 37 T CB -0.458 68.369 68.868 -0.069 0.000 0.864 37 T HN 0.651 nan 8.240 nan 0.000 0.455 38 A N 0.705 123.488 122.820 -0.062 0.000 1.933 38 A HA -0.027 4.292 4.320 -0.002 0.000 0.218 38 A C 2.502 180.064 177.584 -0.038 0.000 1.175 38 A CA 1.163 53.171 52.037 -0.047 0.000 0.628 38 A CB -0.818 18.153 19.000 -0.049 0.000 0.814 38 A HN 0.378 nan 8.150 nan 0.000 0.444 39 V N -0.337 119.555 119.914 -0.038 0.000 2.809 39 V HA -0.110 4.009 4.120 -0.002 0.000 0.256 39 V C 2.584 178.665 176.094 -0.022 0.000 1.080 39 V CA 2.069 64.353 62.300 -0.026 0.000 1.102 39 V CB -0.036 31.775 31.823 -0.020 0.000 0.705 39 V HN 0.667 nan 8.190 nan 0.000 0.475 40 S N -1.450 114.234 115.700 -0.026 0.000 2.524 40 S HA 0.015 4.484 4.470 -0.002 0.000 0.216 40 S C 1.838 176.426 174.600 -0.020 0.000 0.987 40 S CA 1.022 59.209 58.200 -0.021 0.000 0.909 40 S CB 0.148 63.334 63.200 -0.023 0.000 0.781 40 S HN 0.533 nan 8.310 nan 0.000 0.521 41 S N -0.280 115.406 115.700 -0.023 0.000 2.549 41 S HA 0.378 4.847 4.470 -0.002 0.000 0.225 41 S C 0.005 174.593 174.600 -0.020 0.000 1.039 41 S CA -0.317 57.870 58.200 -0.021 0.000 0.942 41 S CB 0.476 63.661 63.200 -0.025 0.000 0.881 41 S HN 0.558 nan 8.310 nan 0.000 0.503 42 c N 2.075 120.662 118.600 -0.021 0.000 2.498 42 c HA 0.492 5.061 4.570 -0.002 0.000 0.316 42 c C 1.226 175.305 174.090 -0.018 0.000 1.209 42 c CA -0.947 55.370 56.329 -0.020 0.000 1.518 42 c CB 1.714 44.210 42.510 -0.024 0.000 2.147 42 c HN 0.313 nan 8.230 nan 0.000 0.483 43 K N 0.933 121.324 120.400 -0.015 0.000 2.361 43 K HA 0.047 4.366 4.320 -0.002 0.000 0.196 43 K C -0.245 176.346 176.600 -0.015 0.000 1.039 43 K CA 0.785 57.064 56.287 -0.014 0.000 1.001 43 K CB 0.073 32.567 32.500 -0.011 0.000 0.795 43 K HN 0.651 nan 8.250 nan 0.000 0.495 44 N N 0.913 119.602 118.700 -0.018 0.000 2.569 44 N HA 0.303 5.041 4.740 -0.002 0.000 0.254 44 N C -1.190 174.303 175.510 -0.029 0.000 1.004 44 N CA -0.221 52.817 53.050 -0.021 0.000 0.904 44 N CB 1.346 39.824 38.487 -0.015 0.000 1.165 44 N HN -0.081 nan 8.380 nan 0.000 0.513 45 I N 1.269 121.814 120.570 -0.041 0.000 2.460 45 I HA 0.447 4.616 4.170 -0.002 0.000 0.298 45 I C -0.424 175.647 176.117 -0.077 0.000 0.989 45 I CA -1.064 60.204 61.300 -0.054 0.000 1.173 45 I CB 1.807 39.770 38.000 -0.061 0.000 1.338 45 I HN 0.075 nan 8.210 nan 0.000 0.456 46 V N 6.709 126.585 119.914 -0.063 0.000 2.409 46 V HA 0.338 4.457 4.120 -0.002 0.000 0.290 46 V C -0.149 175.910 176.094 -0.058 0.000 1.017 46 V CA -0.578 61.678 62.300 -0.073 0.000 0.841 46 V CB 1.498 33.303 31.823 -0.031 0.000 1.003 46 V HN 0.436 nan 8.190 nan 0.000 0.426 47 L N 4.880 126.008 121.223 -0.159 0.000 2.315 47 L HA 0.434 4.773 4.340 -0.002 0.000 0.283 47 L C 1.120 177.968 176.870 -0.037 0.000 1.089 47 L CA -0.181 54.600 54.840 -0.099 0.000 0.833 47 L CB 0.500 42.307 42.059 -0.420 0.000 1.170 47 L HN 0.589 nan 8.230 nan 0.000 0.442 48 N N 2.919 121.681 118.700 0.103 0.000 2.398 48 N HA 0.049 4.788 4.740 -0.002 0.000 0.188 48 N C 0.795 176.352 175.510 0.079 0.000 1.122 48 N CA 0.539 53.648 53.050 0.098 0.000 0.866 48 N CB 0.799 39.367 38.487 0.134 0.000 0.970 48 N HN 0.934 nan 8.380 nan 0.000 0.462 49 G N 1.689 110.459 108.800 -0.050 0.000 2.894 49 G HA2 -0.173 3.785 3.960 -0.002 0.000 0.263 49 G HA3 -0.173 3.785 3.960 -0.002 0.000 0.263 49 G C -0.480 174.389 174.900 -0.052 0.000 1.013 49 G CA -0.402 44.631 45.100 -0.111 0.000 1.226 49 G HN 0.296 nan 8.290 nan 0.000 0.563 50 F N -1.261 118.713 119.950 0.041 0.000 2.661 50 F HA 0.877 5.402 4.527 -0.002 0.000 0.347 50 F C 0.024 175.795 175.800 -0.047 0.000 1.086 50 F CA -1.832 56.174 58.000 0.010 0.000 1.016 50 F CB 1.339 40.353 39.000 0.023 0.000 1.368 50 F HN 0.350 nan 8.300 nan 0.000 0.505 51 Q N 1.502 121.451 119.800 0.248 0.000 2.278 51 Q HA 0.508 4.847 4.340 -0.002 0.000 0.257 51 Q C -1.405 174.646 176.000 0.085 0.000 0.928 51 Q CA -0.783 55.053 55.803 0.055 0.000 0.932 51 Q CB 1.729 30.487 28.738 0.034 0.000 1.221 51 Q HN 0.712 nan 8.270 nan 0.000 0.434 52 V N 7.456 127.272 119.914 -0.163 0.000 2.470 52 V HA 0.205 4.324 4.120 -0.002 0.000 0.276 52 V C -1.910 174.102 176.094 -0.137 0.000 1.040 52 V CA -1.310 60.865 62.300 -0.209 0.000 1.008 52 V CB 0.364 31.969 31.823 -0.363 0.000 0.990 52 V HN 0.798 nan 8.190 nan 0.000 0.477 53 P HA 0.000 nan 4.420 nan 0.000 0.269 53 P C 0.260 177.513 177.300 -0.078 0.000 1.217 53 P CA 0.058 63.100 63.100 -0.097 0.000 0.783 53 P CB 0.296 31.950 31.700 -0.077 0.000 0.898 54 T N 0.775 115.298 114.554 -0.053 0.000 2.908 54 T HA 0.289 4.638 4.350 -0.002 0.000 0.301 54 T C 1.421 176.034 174.700 -0.145 0.000 1.019 54 T CA 1.605 63.653 62.100 -0.087 0.000 1.152 54 T CB -1.191 67.634 68.868 -0.072 0.000 0.966 54 T HN 0.795 nan 8.240 nan 0.000 0.540 55 G N 3.909 112.517 108.800 -0.321 0.000 2.199 55 G HA2 -0.185 3.773 3.960 -0.002 0.000 0.254 55 G HA3 -0.185 3.773 3.960 -0.002 0.000 0.254 55 G C -0.019 174.831 174.900 -0.082 0.000 0.982 55 G CA 0.075 44.949 45.100 -0.376 0.000 0.632 55 G HN 0.726 nan 8.290 nan 0.000 0.529 56 K N 0.973 121.383 120.400 0.017 0.000 2.213 56 K HA 0.464 4.782 4.320 -0.002 0.000 0.270 56 K C 0.214 177.016 176.600 0.337 0.000 1.002 56 K CA -0.530 55.831 56.287 0.123 0.000 0.868 56 K CB 1.650 34.022 32.500 -0.214 0.000 1.093 56 K HN 0.601 nan 8.250 nan 0.000 0.454 57 Q N 3.149 123.196 119.800 0.413 0.000 2.257 57 Q HA 0.194 4.533 4.340 -0.002 0.000 0.255 57 Q C -0.626 175.581 176.000 0.346 0.000 0.920 57 Q CA -0.814 55.184 55.803 0.324 0.000 0.927 57 Q CB 1.083 29.878 28.738 0.094 0.000 1.229 57 Q HN 0.432 nan 8.270 nan 0.000 0.433 58 L N 4.990 126.437 121.223 0.374 0.000 2.652 58 L HA 0.021 4.360 4.340 -0.002 0.000 0.284 58 L C -0.603 176.419 176.870 0.253 0.000 1.204 58 L CA 0.732 55.818 54.840 0.410 0.000 1.105 58 L CB -0.284 42.038 42.059 0.439 0.000 1.393 58 L HN 0.558 nan 8.230 nan 0.000 0.452 59 D N 4.292 124.839 120.400 0.245 0.000 2.365 59 D HA 0.116 4.755 4.640 -0.002 0.000 0.237 59 D C 0.281 176.638 176.300 0.095 0.000 1.190 59 D CA 0.084 54.165 54.000 0.135 0.000 0.867 59 D CB 0.587 41.462 40.800 0.125 0.000 1.050 59 D HN 0.501 nan 8.370 nan 0.000 0.491 60 L N 3.105 124.371 121.223 0.072 0.000 3.110 60 L HA 0.086 4.424 4.340 -0.002 0.000 0.266 60 L C 1.637 178.527 176.870 0.034 0.000 1.257 60 L CA -0.130 54.742 54.840 0.053 0.000 1.038 60 L CB 0.192 42.291 42.059 0.068 0.000 1.395 60 L HN 0.333 nan 8.230 nan 0.000 0.566 61 S N -2.860 112.857 115.700 0.028 0.000 2.562 61 S HA 0.017 4.486 4.470 -0.002 0.000 0.221 61 S C 1.312 175.921 174.600 0.014 0.000 0.975 61 S CA 0.134 58.344 58.200 0.017 0.000 0.918 61 S CB 0.167 63.376 63.200 0.014 0.000 0.772 61 S HN 0.235 nan 8.310 nan 0.000 0.531 62 S N 1.015 116.723 115.700 0.014 0.000 2.601 62 S HA 0.435 4.904 4.470 -0.002 0.000 0.244 62 S C 0.167 174.769 174.600 0.005 0.000 1.001 62 S CA -0.540 57.664 58.200 0.008 0.000 0.984 62 S CB -0.161 63.043 63.200 0.007 0.000 0.842 62 S HN 0.453 nan 8.310 nan 0.000 0.474 63 L N 2.418 123.646 121.223 0.007 0.000 2.540 63 L HA 0.068 4.407 4.340 -0.002 0.000 0.276 63 L C 0.931 177.801 176.870 0.001 0.000 1.212 63 L CA 0.243 55.086 54.840 0.004 0.000 0.893 63 L CB 0.345 42.410 42.059 0.009 0.000 1.138 63 L HN 0.272 nan 8.230 nan 0.000 0.491 64 Q N 2.001 121.799 119.800 -0.003 0.000 2.492 64 Q HA 0.062 4.401 4.340 -0.002 0.000 0.238 64 Q C -0.236 175.762 176.000 -0.004 0.000 1.045 64 Q CA -0.648 55.152 55.803 -0.005 0.000 0.934 64 Q CB 0.549 29.283 28.738 -0.007 0.000 1.276 64 Q HN 0.469 nan 8.270 nan 0.000 0.521 65 N N 2.184 120.881 118.700 -0.005 0.000 2.458 65 N HA -0.039 4.700 4.740 -0.002 0.000 0.258 65 N C -0.832 174.675 175.510 -0.005 0.000 1.219 65 N CA 0.607 53.654 53.050 -0.005 0.000 0.902 65 N CB 0.320 38.803 38.487 -0.006 0.000 1.076 65 N HN 0.484 nan 8.380 nan 0.000 0.455 66 D N -1.032 119.365 120.400 -0.004 0.000 2.981 66 D HA -0.164 4.475 4.640 -0.002 0.000 0.223 66 D C -0.744 175.553 176.300 -0.004 0.000 1.151 66 D CA 0.738 54.736 54.000 -0.004 0.000 0.827 66 D CB -1.494 39.303 40.800 -0.006 0.000 1.101 66 D HN 0.277 nan 8.370 nan 0.000 0.426 67 S N -0.377 115.322 115.700 -0.003 0.000 2.610 67 S HA 0.575 5.044 4.470 -0.002 0.000 0.273 67 S C 0.391 174.990 174.600 -0.002 0.000 1.274 67 S CA -0.064 58.133 58.200 -0.005 0.000 1.023 67 S CB 1.759 64.956 63.200 -0.005 0.000 0.962 67 S HN 0.138 nan 8.310 nan 0.000 0.523 68 T N 2.299 116.848 114.554 -0.008 0.000 2.841 68 T HA 0.459 4.807 4.350 -0.002 0.000 0.285 68 T C -0.938 173.747 174.700 -0.026 0.000 0.991 68 T CA -0.433 61.663 62.100 -0.007 0.000 0.966 68 T CB 1.161 70.026 68.868 -0.005 0.000 0.962 68 T HN 0.307 nan 8.240 nan 0.000 0.438 69 V N 3.803 123.700 119.914 -0.029 0.000 2.384 69 V HA 0.511 4.630 4.120 -0.002 0.000 0.287 69 V C 0.151 176.180 176.094 -0.108 0.000 1.020 69 V CA -0.626 61.618 62.300 -0.095 0.000 0.850 69 V CB 1.730 33.486 31.823 -0.111 0.000 0.987 69 V HN 0.954 nan 8.190 nan 0.000 0.436 70 T N 5.622 120.080 114.554 -0.159 0.000 2.770 70 T HA 0.544 4.892 4.350 -0.002 0.000 0.283 70 T C -0.477 174.090 174.700 -0.221 0.000 0.988 70 T CA -0.133 61.898 62.100 -0.116 0.000 0.957 70 T CB 0.494 69.327 68.868 -0.059 0.000 0.930 70 T HN 0.288 nan 8.240 nan 0.000 0.443 71 F N 3.419 123.270 119.950 -0.165 0.000 2.445 71 F HA 0.376 4.902 4.527 -0.002 0.000 0.359 71 F C 1.107 176.807 175.800 -0.167 0.000 1.101 71 F CA -0.152 57.736 58.000 -0.185 0.000 1.177 71 F CB 0.647 39.490 39.000 -0.261 0.000 1.110 71 F HN 0.207 nan 8.300 nan 0.000 0.522 72 K N 1.887 122.339 120.400 0.087 0.000 2.340 72 K HA 0.703 5.021 4.320 -0.002 0.000 0.244 72 K C 0.419 177.108 176.600 0.148 0.000 0.973 72 K CA -0.481 55.879 56.287 0.121 0.000 0.828 72 K CB 1.968 34.507 32.500 0.065 0.000 1.226 72 K HN 0.765 nan 8.250 nan 0.000 0.437 73 G N 0.558 109.449 108.800 0.151 0.000 2.601 73 G HA2 -0.263 3.695 3.960 -0.002 0.000 0.261 73 G HA3 -0.263 3.695 3.960 -0.002 0.000 0.261 73 G C -0.700 174.277 174.900 0.129 0.000 1.289 73 G CA -0.401 44.769 45.100 0.116 0.000 0.920 73 G HN 0.482 nan 8.290 nan 0.000 0.571 74 T N 1.401 116.003 114.554 0.079 0.000 2.788 74 T HA 0.597 4.946 4.350 -0.002 0.000 0.296 74 T C 0.192 174.906 174.700 0.024 0.000 1.009 74 T CA 0.248 62.388 62.100 0.067 0.000 0.949 74 T CB 1.248 70.143 68.868 0.046 0.000 0.946 74 T HN 0.718 nan 8.240 nan 0.000 0.453 75 T N 4.201 118.778 114.554 0.037 0.000 2.771 75 T HA 0.553 4.901 4.350 -0.002 0.000 0.291 75 T C 0.627 175.313 174.700 -0.023 0.000 0.954 75 T CA -0.617 61.438 62.100 -0.075 0.000 1.045 75 T CB 0.654 69.521 68.868 -0.003 0.000 0.917 75 T HN 0.742 nan 8.240 nan 0.000 0.484 76 T N 0.280 114.756 114.554 -0.131 0.000 2.930 76 T HA 0.793 5.142 4.350 -0.002 0.000 0.290 76 T C -0.970 173.591 174.700 -0.231 0.000 1.052 76 T CA -0.845 61.238 62.100 -0.027 0.000 1.017 76 T CB 1.119 69.990 68.868 0.007 0.000 1.137 76 T HN 0.287 nan 8.240 nan 0.000 0.511 77 F N 0.727 120.733 119.950 0.094 0.000 2.507 77 F HA 0.695 5.221 4.527 -0.002 0.000 0.325 77 F C 0.842 176.678 175.800 0.061 0.000 1.116 77 F CA -0.912 57.162 58.000 0.123 0.000 0.930 77 F CB 1.698 40.830 39.000 0.219 0.000 1.146 77 F HN 1.017 nan 8.300 nan 0.000 0.447 78 A N 1.549 124.474 122.820 0.175 0.000 2.409 78 A HA 0.378 4.696 4.320 -0.002 0.000 0.246 78 A C 0.145 177.799 177.584 0.117 0.000 1.099 78 A CA -0.193 51.897 52.037 0.088 0.000 0.789 78 A CB -0.143 18.877 19.000 0.032 0.000 1.053 78 A HN 0.696 nan 8.150 nan 0.000 0.503 79 T N 1.778 116.342 114.554 0.017 0.000 2.761 79 T HA 0.433 4.781 4.350 -0.002 0.000 0.296 79 T C -0.123 174.620 174.700 0.072 0.000 0.934 79 T CA 0.446 62.555 62.100 0.014 0.000 1.091 79 T CB 0.178 68.971 68.868 -0.124 0.000 0.896 79 T HN 0.540 nan 8.240 nan 0.000 0.515 80 T N 3.082 117.756 114.554 0.201 0.000 3.150 80 T HA 0.434 4.783 4.350 -0.002 0.000 0.383 80 T C 0.544 175.282 174.700 0.062 0.000 1.313 80 T CA -0.675 61.404 62.100 -0.034 0.000 1.235 80 T CB 0.619 69.214 68.868 -0.454 0.000 1.088 80 T HN 0.645 nan 8.240 nan 0.000 0.556 81 A N 3.187 126.070 122.820 0.104 0.000 2.993 81 A HA 0.308 4.627 4.320 -0.002 0.000 0.281 81 A C 0.331 177.927 177.584 0.021 0.000 1.847 81 A CA 0.040 52.140 52.037 0.106 0.000 1.470 81 A CB -0.333 18.723 19.000 0.093 0.000 1.028 81 A HN 0.727 nan 8.150 nan 0.000 0.604 82 D N 1.065 121.462 120.400 -0.004 0.000 2.966 82 D HA 0.134 4.772 4.640 -0.002 0.000 0.222 82 D C -0.094 176.227 176.300 0.036 0.000 1.292 82 D CA -0.552 53.462 54.000 0.024 0.000 0.907 82 D CB 1.199 42.022 40.800 0.038 0.000 1.621 82 D HN 0.215 nan 8.370 nan 0.000 0.557 83 N N 1.490 120.202 118.700 0.019 0.000 2.188 83 N HA -0.098 4.640 4.740 -0.002 0.000 0.184 83 N C 0.643 176.155 175.510 0.003 0.000 1.018 83 N CA 0.992 54.039 53.050 -0.006 0.000 0.858 83 N CB 0.214 38.701 38.487 -0.001 0.000 0.989 83 N HN 0.496 nan 8.380 nan 0.000 0.426 84 D N -0.623 119.808 120.400 0.051 0.000 2.340 84 D HA -0.034 4.605 4.640 -0.002 0.000 0.220 84 D C 0.010 176.369 176.300 0.099 0.000 1.039 84 D CA -0.121 53.913 54.000 0.057 0.000 0.866 84 D CB -0.177 40.663 40.800 0.067 0.000 0.913 84 D HN 0.125 nan 8.370 nan 0.000 0.523 85 F N 2.347 122.283 119.950 -0.023 0.000 2.495 85 F HA 0.106 4.632 4.527 -0.002 0.000 0.365 85 F C 0.489 176.284 175.800 -0.008 0.000 1.090 85 F CA -0.532 57.464 58.000 -0.008 0.000 1.235 85 F CB 0.386 39.377 39.000 -0.015 0.000 1.119 85 F HN -0.260 nan 8.300 nan 0.000 0.562 86 N N 8.214 126.379 118.700 -0.892 0.000 2.564 86 N HA 0.266 5.005 4.740 -0.002 0.000 0.248 86 N C -2.245 172.688 175.510 -0.963 0.000 0.986 86 N CA -1.860 50.783 53.050 -0.677 0.000 0.921 86 N CB 1.624 39.924 38.487 -0.312 0.000 1.136 86 N HN 0.266 nan 8.380 nan 0.000 0.509 87 P HA -0.063 nan 4.420 nan 0.000 0.214 87 P C -0.094 177.050 177.300 -0.261 0.000 1.163 87 P CA 1.351 64.164 63.100 -0.478 0.000 0.889 87 P CB 0.404 31.817 31.700 -0.479 0.000 0.790 88 I N -1.349 118.977 120.570 -0.407 0.000 2.498 88 I HA 0.342 4.511 4.170 -0.002 0.000 0.290 88 I C -0.771 175.209 176.117 -0.229 0.000 1.032 88 I CA -0.976 60.167 61.300 -0.262 0.000 1.073 88 I CB 2.972 40.707 38.000 -0.443 0.000 1.251 88 I HN -0.327 nan 8.210 nan 0.000 0.426 89 V N 8.009 127.864 119.914 -0.098 0.000 2.588 89 V HA 0.589 4.708 4.120 -0.002 0.000 0.304 89 V C -0.855 175.228 176.094 -0.017 0.000 1.042 89 V CA -0.330 61.926 62.300 -0.073 0.000 0.877 89 V CB 2.095 33.885 31.823 -0.055 0.000 0.996 89 V HN 0.547 nan 8.190 nan 0.000 0.425 90 I N 5.756 126.319 120.570 -0.012 0.000 2.436 90 I HA 0.694 4.863 4.170 -0.002 0.000 0.289 90 I C -0.218 175.912 176.117 0.021 0.000 1.010 90 I CA 0.025 61.340 61.300 0.025 0.000 1.098 90 I CB 2.221 40.254 38.000 0.054 0.000 1.266 90 I HN 0.638 nan 8.210 nan 0.000 0.434 91 S N 2.876 118.589 115.700 0.022 0.000 2.570 91 S HA 0.967 5.436 4.470 -0.002 0.000 0.270 91 S C -0.418 174.191 174.600 0.015 0.000 1.149 91 S CA -0.710 57.499 58.200 0.015 0.000 0.837 91 S CB 2.387 65.592 63.200 0.008 0.000 1.124 91 S HN 1.109 nan 8.310 nan 0.000 0.465 92 G N 0.635 109.441 108.800 0.010 0.000 2.359 92 G HA2 0.372 4.330 3.960 -0.002 0.000 0.314 92 G HA3 0.372 4.330 3.960 -0.002 0.000 0.314 92 G C -1.380 173.523 174.900 0.004 0.000 1.364 92 G CA -0.307 44.797 45.100 0.007 0.000 0.978 92 G HN 0.879 nan 8.290 nan 0.000 0.615 93 S N -0.455 115.245 115.700 0.000 0.000 2.454 93 S HA 0.529 4.998 4.470 -0.002 0.000 0.306 93 S C 0.746 175.344 174.600 -0.004 0.000 1.100 93 S CA 0.760 58.958 58.200 -0.003 0.000 1.087 93 S CB 0.880 64.076 63.200 -0.007 0.000 1.019 93 S HN 2.206 nan 8.310 nan 0.000 0.480 94 N N 2.181 120.877 118.700 -0.005 0.000 2.727 94 N HA -0.193 4.546 4.740 -0.002 0.000 0.249 94 N C -0.299 175.211 175.510 0.000 0.000 1.048 94 N CA 1.387 54.433 53.050 -0.005 0.000 0.714 94 N CB -1.922 36.560 38.487 -0.009 0.000 0.959 94 N HN 0.760 nan 8.380 nan 0.000 0.544 95 I N -3.892 116.681 120.570 0.006 0.000 2.783 95 I HA 0.685 4.853 4.170 -0.002 0.000 0.312 95 I C 0.179 176.308 176.117 0.019 0.000 0.988 95 I CA -0.576 60.731 61.300 0.012 0.000 1.182 95 I CB 2.048 40.058 38.000 0.017 0.000 1.368 95 I HN -0.003 nan 8.210 nan 0.000 0.511 96 T N 5.292 119.860 114.554 0.023 0.000 2.890 96 T HA 0.529 4.878 4.350 -0.002 0.000 0.295 96 T C -0.476 174.254 174.700 0.051 0.000 0.993 96 T CA -0.230 61.889 62.100 0.032 0.000 0.979 96 T CB 0.993 69.874 68.868 0.022 0.000 0.967 96 T HN 0.328 nan 8.240 nan 0.000 0.441 97 I N 3.518 124.137 120.570 0.082 0.000 2.359 97 I HA 0.453 4.622 4.170 -0.002 0.000 0.284 97 I C 0.539 176.747 176.117 0.151 0.000 1.018 97 I CA -0.319 61.063 61.300 0.138 0.000 1.173 97 I CB 0.819 38.934 38.000 0.191 0.000 1.326 97 I HN 0.551 nan 8.210 nan 0.000 0.462 98 T N 3.874 118.511 114.554 0.138 0.000 2.831 98 T HA 0.876 5.225 4.350 -0.002 0.000 0.287 98 T C -0.384 174.362 174.700 0.078 0.000 1.070 98 T CA -0.535 61.629 62.100 0.106 0.000 1.010 98 T CB 2.305 71.211 68.868 0.062 0.000 1.264 98 T HN 0.764 nan 8.240 nan 0.000 0.532 99 G N 0.027 108.800 108.800 -0.044 0.000 2.574 99 G HA2 0.719 4.678 3.960 -0.002 0.000 0.299 99 G HA3 0.719 4.678 3.960 -0.002 0.000 0.299 99 G C -0.990 173.857 174.900 -0.089 0.000 1.298 99 G CA -0.279 44.608 45.100 -0.355 0.000 0.952 99 G HN 0.915 nan 8.290 nan 0.000 0.477 100 A N 0.290 123.092 122.820 -0.031 0.000 2.264 100 A HA 0.736 5.054 4.320 -0.002 0.000 0.304 100 A C 0.832 178.569 177.584 0.255 0.000 1.100 100 A CA -0.336 51.770 52.037 0.115 0.000 0.839 100 A CB 0.430 19.480 19.000 0.084 0.000 1.121 100 A HN 1.039 nan 8.150 nan 0.000 0.496 101 S N -0.012 115.787 115.700 0.165 0.000 2.563 101 S HA 0.373 4.842 4.470 -0.002 0.000 0.294 101 S C 1.362 176.043 174.600 0.134 0.000 1.279 101 S CA 0.956 59.241 58.200 0.142 0.000 1.069 101 S CB 0.189 63.440 63.200 0.084 0.000 0.828 101 S HN 2.219 nan 8.310 nan 0.000 0.497 102 G N 1.930 110.783 108.800 0.088 0.000 2.179 102 G HA2 -0.271 3.687 3.960 -0.002 0.000 0.260 102 G HA3 -0.271 3.687 3.960 -0.002 0.000 0.260 102 G C -0.058 174.859 174.900 0.029 0.000 0.977 102 G CA 0.478 45.597 45.100 0.032 0.000 0.641 102 G HN 1.188 nan 8.290 nan 0.000 0.533 103 H N -0.542 118.567 119.070 0.065 0.000 2.757 103 H HA 0.684 5.238 4.556 -0.002 0.000 0.370 103 H C -0.162 175.209 175.328 0.072 0.000 1.172 103 H CA -0.145 55.951 56.048 0.080 0.000 1.426 103 H CB 1.273 31.106 29.762 0.119 0.000 1.438 103 H HN 0.411 nan 8.280 nan 0.000 0.612 104 V N 3.759 123.696 119.914 0.039 0.000 2.851 104 V HA 0.236 4.354 4.120 -0.002 0.000 0.307 104 V C -0.401 175.769 176.094 0.126 0.000 1.129 104 V CA -0.761 61.525 62.300 -0.024 0.000 0.932 104 V CB 1.923 33.738 31.823 -0.013 0.000 1.024 104 V HN 0.789 nan 8.190 nan 0.000 0.426 105 I N 3.649 124.290 120.570 0.117 0.000 2.428 105 I HA 0.338 4.507 4.170 -0.002 0.000 0.279 105 I C -0.491 175.759 176.117 0.222 0.000 1.040 105 I CA -0.169 61.230 61.300 0.167 0.000 1.171 105 I CB 1.180 39.229 38.000 0.082 0.000 1.312 105 I HN 0.588 nan 8.210 nan 0.000 0.470 106 D N 4.396 124.923 120.400 0.213 0.000 2.256 106 D HA 0.214 4.852 4.640 -0.002 0.000 0.250 106 D C 0.838 177.272 176.300 0.223 0.000 1.093 106 D CA -0.093 54.003 54.000 0.160 0.000 0.882 106 D CB 2.382 43.237 40.800 0.091 0.000 1.185 106 D HN 0.685 nan 8.370 nan 0.000 0.437 107 G N 2.415 111.170 108.800 -0.075 0.000 3.088 107 G HA2 -0.107 3.852 3.960 -0.002 0.000 0.217 107 G HA3 -0.107 3.852 3.960 -0.002 0.000 0.217 107 G C 0.827 175.634 174.900 -0.154 0.000 1.159 107 G CA -0.212 44.626 45.100 -0.436 0.000 0.760 107 G HN 0.684 nan 8.290 nan 0.000 0.550 108 N N -0.752 117.884 118.700 -0.107 0.000 2.780 108 N HA -0.161 4.578 4.740 -0.002 0.000 0.248 108 N C 1.501 176.753 175.510 -0.430 0.000 1.102 108 N CA 1.247 54.179 53.050 -0.198 0.000 0.697 108 N CB -1.305 37.161 38.487 -0.034 0.000 1.028 108 N HN 0.266 nan 8.380 nan 0.000 0.554 109 G N -0.708 107.719 108.800 -0.622 0.000 2.408 109 G HA2 -0.257 3.702 3.960 -0.002 0.000 0.217 109 G HA3 -0.257 3.702 3.960 -0.002 0.000 0.217 109 G C 1.126 174.864 174.900 -1.936 0.000 1.150 109 G CA 1.069 45.442 45.100 -1.211 0.000 0.776 109 G HN 0.516 nan 8.290 nan 0.000 0.542 110 Q N 0.297 119.202 119.800 -1.492 0.000 2.248 110 Q HA 0.023 4.361 4.340 -0.002 0.000 0.208 110 Q C 2.677 178.325 176.000 -0.586 0.000 0.984 110 Q CA 1.525 56.792 55.803 -0.893 0.000 0.875 110 Q CB -0.278 28.185 28.738 -0.459 0.000 0.910 110 Q HN 0.495 nan 8.270 nan 0.000 0.433 111 A N -1.375 121.023 122.820 -0.704 0.000 2.119 111 A HA -0.067 4.252 4.320 -0.002 0.000 0.216 111 A C 0.965 178.170 177.584 -0.631 0.000 1.152 111 A CA 0.745 52.392 52.037 -0.649 0.000 0.708 111 A CB -0.125 18.393 19.000 -0.804 0.000 0.805 111 A HN 0.367 nan 8.150 nan 0.000 0.460 112 Y N -2.160 117.943 120.300 -0.327 0.000 2.422 112 Y HA 0.134 4.683 4.550 -0.002 0.000 0.291 112 Y C 0.527 176.423 175.900 -0.007 0.000 1.144 112 Y CA -1.082 56.919 58.100 -0.166 0.000 1.208 112 Y CB -0.582 37.773 38.460 -0.175 0.000 1.195 112 Y HN 0.277 nan 8.280 nan 0.000 0.535 113 W N 3.820 125.170 121.300 0.082 0.000 2.484 113 W HA 0.062 4.720 4.660 -0.002 0.000 0.337 113 W C 0.280 176.800 176.519 0.002 0.000 1.214 113 W CA 0.362 57.716 57.345 0.014 0.000 1.296 113 W CB -0.075 29.359 29.460 -0.043 0.000 1.174 113 W HN 0.374 nan 8.180 nan 0.000 0.564 114 D N -0.464 120.075 120.400 0.231 0.000 2.602 114 D HA 0.168 4.806 4.640 -0.002 0.000 0.265 114 D C 1.305 177.633 176.300 0.047 0.000 1.454 114 D CA 0.058 54.127 54.000 0.114 0.000 0.795 114 D CB -0.169 40.684 40.800 0.088 0.000 1.140 114 D HN 0.580 nan 8.370 nan 0.000 0.486 115 G N 0.971 109.788 108.800 0.029 0.000 2.148 115 G HA2 -0.384 3.574 3.960 -0.002 0.000 0.254 115 G HA3 -0.384 3.574 3.960 -0.002 0.000 0.254 115 G C 0.898 175.712 174.900 -0.143 0.000 0.981 115 G CA 0.705 45.765 45.100 -0.067 0.000 0.670 115 G HN 0.456 nan 8.290 nan 0.000 0.528 116 K N -0.501 119.872 120.400 -0.045 0.000 2.367 116 K HA 0.445 4.764 4.320 -0.002 0.000 0.195 116 K C 2.032 178.676 176.600 0.074 0.000 1.060 116 K CA 0.716 56.971 56.287 -0.054 0.000 1.022 116 K CB 0.501 32.996 32.500 -0.008 0.000 0.894 116 K HN 1.175 nan 8.250 nan 0.000 0.540 117 G N 1.493 110.371 108.800 0.130 0.000 2.591 117 G HA2 -0.406 3.553 3.960 -0.002 0.000 0.298 117 G HA3 -0.406 3.553 3.960 -0.002 0.000 0.298 117 G C 0.777 175.740 174.900 0.105 0.000 1.195 117 G CA 0.738 45.929 45.100 0.152 0.000 0.989 117 G HN 0.349 nan 8.290 nan 0.000 0.551 118 S N 0.984 116.743 115.700 0.099 0.000 2.593 118 S HA 0.143 4.612 4.470 -0.002 0.000 0.217 118 S C 0.862 175.515 174.600 0.088 0.000 0.966 118 S CA 0.898 59.150 58.200 0.086 0.000 0.914 118 S CB -0.232 63.044 63.200 0.126 0.000 0.776 118 S HN 0.948 nan 8.310 nan 0.000 0.523 119 N N 2.511 121.267 118.700 0.094 0.000 2.292 119 N HA -0.081 4.658 4.740 -0.002 0.000 0.258 119 N C 1.199 176.741 175.510 0.053 0.000 1.261 119 N CA 0.770 53.863 53.050 0.071 0.000 0.845 119 N CB 0.767 39.286 38.487 0.053 0.000 1.064 119 N HN 0.474 nan 8.380 nan 0.000 0.471 120 S N 3.304 119.033 115.700 0.048 0.000 2.399 120 S HA -0.111 4.357 4.470 -0.002 0.000 0.231 120 S C 1.024 175.643 174.600 0.033 0.000 1.022 120 S CA 0.761 58.985 58.200 0.039 0.000 0.983 120 S CB -0.004 63.218 63.200 0.037 0.000 0.803 120 S HN 0.638 nan 8.310 nan 0.000 0.480 121 N N 1.986 120.704 118.700 0.029 0.000 2.313 121 N HA 0.210 4.949 4.740 -0.002 0.000 0.207 121 N C 0.092 175.617 175.510 0.024 0.000 1.141 121 N CA 0.276 53.340 53.050 0.023 0.000 0.830 121 N CB 0.486 38.984 38.487 0.018 0.000 1.008 121 N HN 0.693 nan 8.380 nan 0.000 0.481 122 S N -0.949 114.769 115.700 0.031 0.000 2.767 122 S HA 0.374 4.843 4.470 -0.002 0.000 0.300 122 S C 0.165 174.791 174.600 0.042 0.000 1.123 122 S CA -0.908 57.313 58.200 0.035 0.000 0.992 122 S CB 1.332 64.556 63.200 0.041 0.000 1.138 122 S HN -0.017 nan 8.310 nan 0.000 0.550 123 N N 1.954 120.686 118.700 0.052 0.000 2.356 123 N HA -0.015 4.723 4.740 -0.002 0.000 0.252 123 N C -0.266 175.285 175.510 0.068 0.000 1.241 123 N CA 0.420 53.508 53.050 0.064 0.000 0.861 123 N CB 0.158 38.694 38.487 0.083 0.000 1.075 123 N HN 0.585 nan 8.380 nan 0.000 0.461 124 Q N 2.228 122.064 119.800 0.060 0.000 2.297 124 Q HA 0.105 4.443 4.340 -0.002 0.000 0.267 124 Q C -0.319 175.689 176.000 0.013 0.000 1.006 124 Q CA 0.624 56.449 55.803 0.036 0.000 0.896 124 Q CB 0.596 29.353 28.738 0.032 0.000 1.186 124 Q HN 0.423 nan 8.270 nan 0.000 0.392 125 K N 2.379 122.737 120.400 -0.071 0.000 2.501 125 K HA 0.465 4.784 4.320 -0.002 0.000 0.252 125 K C -2.844 173.598 176.600 -0.264 0.000 0.934 125 K CA -2.289 53.818 56.287 -0.301 0.000 0.797 125 K CB 1.498 33.887 32.500 -0.184 0.000 1.270 125 K HN 0.147 nan 8.250 nan 0.000 0.431 126 P HA -0.104 nan 4.420 nan 0.000 0.256 126 P C -0.302 176.927 177.300 -0.118 0.000 1.173 126 P CA 0.512 63.519 63.100 -0.155 0.000 0.768 126 P CB 0.444 32.089 31.700 -0.092 0.000 0.758 127 D N 2.485 122.799 120.400 -0.143 0.000 2.097 127 D HA -0.122 4.517 4.640 -0.002 0.000 0.197 127 D C -0.020 176.189 176.300 -0.152 0.000 0.984 127 D CA 1.387 55.273 54.000 -0.189 0.000 0.826 127 D CB -0.073 40.460 40.800 -0.445 0.000 0.973 127 D HN 0.549 nan 8.370 nan 0.000 0.460 128 H N -0.530 118.586 119.070 0.076 0.000 2.595 128 H HA 0.173 4.727 4.556 -0.002 0.000 0.313 128 H C 0.060 175.375 175.328 -0.023 0.000 1.023 128 H CA -0.833 55.232 56.048 0.028 0.000 1.218 128 H CB 1.264 30.995 29.762 -0.052 0.000 1.403 128 H HN -0.037 nan 8.280 nan 0.000 0.477 129 F N 3.051 122.945 119.950 -0.094 0.000 2.060 129 F HA 0.102 4.627 4.527 -0.002 0.000 0.295 129 F C 0.276 175.879 175.800 -0.329 0.000 1.120 129 F CA 1.133 58.985 58.000 -0.247 0.000 1.205 129 F CB 0.223 39.062 39.000 -0.267 0.000 0.986 129 F HN 0.357 nan 8.300 nan 0.000 0.470 130 I N 1.230 121.445 120.570 -0.593 0.000 2.382 130 I HA 0.238 4.407 4.170 -0.002 0.000 0.286 130 I C -1.159 174.724 176.117 -0.391 0.000 1.002 130 I CA -0.759 60.108 61.300 -0.722 0.000 1.135 130 I CB 1.834 39.140 38.000 -1.157 0.000 1.288 130 I HN -0.382 nan 8.210 nan 0.000 0.448 131 V N 7.688 127.448 119.914 -0.257 0.000 2.311 131 V HA 0.224 4.342 4.120 -0.002 0.000 0.275 131 V C 0.083 176.132 176.094 -0.075 0.000 1.022 131 V CA -0.537 61.674 62.300 -0.148 0.000 0.830 131 V CB 1.688 33.430 31.823 -0.134 0.000 1.012 131 V HN 0.396 nan 8.190 nan 0.000 0.452 132 V N 7.351 127.262 119.914 -0.005 0.000 2.284 132 V HA 0.334 4.453 4.120 -0.002 0.000 0.260 132 V C 0.220 176.321 176.094 0.012 0.000 1.084 132 V CA -0.350 61.974 62.300 0.040 0.000 0.894 132 V CB 0.591 32.492 31.823 0.131 0.000 1.119 132 V HN 0.985 nan 8.190 nan 0.000 0.484 133 Q N 3.005 122.801 119.800 -0.006 0.000 2.377 133 Q HA 0.679 5.018 4.340 -0.002 0.000 0.271 133 Q C -0.288 175.709 176.000 -0.004 0.000 1.077 133 Q CA -1.060 54.735 55.803 -0.012 0.000 0.820 133 Q CB 1.966 30.688 28.738 -0.028 0.000 1.347 133 Q HN 0.390 nan 8.270 nan 0.000 0.444 134 K N -0.029 120.368 120.400 -0.005 0.000 3.192 134 K HA -0.109 4.210 4.320 -0.002 0.000 0.278 134 K C -1.048 175.552 176.600 0.001 0.000 1.164 134 K CA 1.098 57.384 56.287 -0.003 0.000 0.816 134 K CB -1.579 30.919 32.500 -0.003 0.000 1.256 134 K HN 0.804 nan 8.250 nan 0.000 0.497 135 T N 1.012 115.569 114.554 0.005 0.000 2.744 135 T HA 0.415 4.764 4.350 -0.002 0.000 0.291 135 T C 0.345 175.046 174.700 0.002 0.000 0.957 135 T CA 0.107 62.212 62.100 0.008 0.000 1.002 135 T CB 1.413 70.292 68.868 0.018 0.000 0.919 135 T HN 0.367 nan 8.240 nan 0.000 0.468 136 T N -0.899 113.654 114.554 -0.002 0.000 2.696 136 T HA 0.696 5.045 4.350 -0.002 0.000 0.291 136 T C 0.601 175.294 174.700 -0.013 0.000 1.095 136 T CA -0.186 61.909 62.100 -0.009 0.000 1.026 136 T CB 1.306 70.167 68.868 -0.012 0.000 1.390 136 T HN 1.080 nan 8.240 nan 0.000 0.513 137 G N 1.119 109.906 108.800 -0.022 0.000 2.212 137 G HA2 -0.227 3.731 3.960 -0.002 0.000 0.255 137 G HA3 -0.227 3.731 3.960 -0.002 0.000 0.255 137 G C 0.166 175.052 174.900 -0.024 0.000 1.062 137 G CA 0.294 45.380 45.100 -0.024 0.000 0.815 137 G HN 1.593 nan 8.290 nan 0.000 0.497 138 N N -1.416 117.266 118.700 -0.029 0.000 2.735 138 N HA -0.196 4.543 4.740 -0.002 0.000 0.248 138 N C 0.681 176.181 175.510 -0.017 0.000 1.083 138 N CA 0.643 53.676 53.050 -0.028 0.000 0.703 138 N CB -0.848 37.620 38.487 -0.031 0.000 1.005 138 N HN 0.654 nan 8.380 nan 0.000 0.550 139 S N 0.505 116.199 115.700 -0.010 0.000 2.600 139 S HA 0.415 4.884 4.470 -0.002 0.000 0.265 139 S C 0.446 175.045 174.600 -0.002 0.000 1.325 139 S CA -0.168 58.031 58.200 -0.001 0.000 1.002 139 S CB 1.191 64.395 63.200 0.007 0.000 0.921 139 S HN 0.401 nan 8.310 nan 0.000 0.554 140 K N -0.049 120.356 120.400 0.008 0.000 2.557 140 K HA 0.596 4.915 4.320 -0.002 0.000 0.261 140 K C -1.948 174.667 176.600 0.025 0.000 0.932 140 K CA -0.663 55.627 56.287 0.004 0.000 0.829 140 K CB 0.949 33.448 32.500 -0.002 0.000 1.358 140 K HN 0.475 nan 8.250 nan 0.000 0.430 141 I N 2.416 122.997 120.570 0.017 0.000 2.418 141 I HA 0.362 4.530 4.170 -0.002 0.000 0.287 141 I C -0.773 175.366 176.117 0.037 0.000 1.008 141 I CA -0.562 60.769 61.300 0.052 0.000 1.104 141 I CB 2.253 40.298 38.000 0.076 0.000 1.264 141 I HN 0.908 nan 8.210 nan 0.000 0.438 142 T N 1.211 115.807 114.554 0.069 0.000 2.916 142 T HA 0.419 4.768 4.350 -0.002 0.000 0.305 142 T C -0.227 174.538 174.700 0.108 0.000 1.119 142 T CA -0.798 61.342 62.100 0.067 0.000 1.008 142 T CB 1.665 70.561 68.868 0.048 0.000 1.129 142 T HN 0.568 nan 8.240 nan 0.000 0.480 143 N N 0.541 119.315 118.700 0.124 0.000 2.756 143 N HA -0.118 4.621 4.740 -0.002 0.000 0.248 143 N C -0.835 174.844 175.510 0.282 0.000 1.062 143 N CA 0.397 53.548 53.050 0.169 0.000 0.696 143 N CB -1.582 36.989 38.487 0.140 0.000 0.946 143 N HN 0.759 nan 8.380 nan 0.000 0.548 144 L N 0.431 121.816 121.223 0.270 0.000 2.295 144 L HA 0.329 4.668 4.340 -0.002 0.000 0.285 144 L C 0.297 177.344 176.870 0.294 0.000 1.035 144 L CA -0.560 54.495 54.840 0.358 0.000 0.806 144 L CB 1.079 43.291 42.059 0.255 0.000 1.214 144 L HN -0.008 nan 8.230 nan 0.000 0.426 145 N N 5.254 124.080 118.700 0.210 0.000 2.678 145 N HA 0.434 5.172 4.740 -0.002 0.000 0.231 145 N C -0.637 174.922 175.510 0.081 0.000 1.038 145 N CA -0.098 52.944 53.050 -0.014 0.000 0.932 145 N CB 1.260 39.520 38.487 -0.379 0.000 1.176 145 N HN 0.430 nan 8.380 nan 0.000 0.511 146 I N 1.616 122.300 120.570 0.190 0.000 2.460 146 I HA 0.288 4.457 4.170 -0.002 0.000 0.298 146 I C 0.161 176.471 176.117 0.322 0.000 0.989 146 I CA -0.644 60.804 61.300 0.247 0.000 1.173 146 I CB 1.419 39.578 38.000 0.266 0.000 1.338 146 I HN 0.339 nan 8.210 nan 0.000 0.456 147 Q N 4.665 124.648 119.800 0.304 0.000 2.435 147 Q HA 0.440 4.779 4.340 -0.002 0.000 0.282 147 Q C -1.145 174.971 176.000 0.194 0.000 1.020 147 Q CA -1.029 54.939 55.803 0.275 0.000 0.820 147 Q CB 1.676 30.496 28.738 0.136 0.000 1.436 147 Q HN 0.547 nan 8.270 nan 0.000 0.395 148 N N 0.813 119.577 118.700 0.105 0.000 2.641 148 N HA -0.160 4.579 4.740 -0.002 0.000 0.267 148 N C -1.645 173.826 175.510 -0.065 0.000 1.087 148 N CA 1.473 54.539 53.050 0.026 0.000 0.731 148 N CB -1.109 37.327 38.487 -0.085 0.000 0.886 148 N HN 0.736 nan 8.380 nan 0.000 0.547 149 W N -0.181 121.121 121.300 0.004 0.000 2.516 149 W HA 0.682 5.340 4.660 -0.002 0.000 0.343 149 W C -2.095 174.462 176.519 0.063 0.000 1.094 149 W CA -2.059 55.112 57.345 -0.290 0.000 1.250 149 W CB -0.106 29.079 29.460 -0.458 0.000 1.308 149 W HN -0.104 nan 8.180 nan 0.000 0.588 150 P HA -0.248 nan 4.420 nan 0.000 0.202 150 P C 0.820 178.336 177.300 0.359 0.000 1.149 150 P CA 2.058 65.279 63.100 0.201 0.000 0.931 150 P CB 0.040 31.680 31.700 -0.100 0.000 0.762 151 V N -2.887 117.188 119.914 0.267 0.000 4.866 151 V HA 0.151 4.269 4.120 -0.002 0.000 0.169 151 V C 0.428 176.640 176.094 0.196 0.000 0.965 151 V CA -0.007 62.358 62.300 0.109 0.000 1.452 151 V CB -1.403 30.375 31.823 -0.076 0.000 2.235 151 V HN 0.000 nan 8.190 nan 0.000 0.398 152 H N -1.073 118.136 119.070 0.232 0.000 2.764 152 H HA 0.227 4.781 4.556 -0.002 0.000 0.341 152 H C 0.632 175.953 175.328 -0.012 0.000 1.072 152 H CA 0.557 56.702 56.048 0.161 0.000 1.444 152 H CB 1.012 30.907 29.762 0.222 0.000 1.458 152 H HN 0.498 nan 8.280 nan 0.000 0.572 153 C N 3.292 122.435 119.300 -0.263 0.000 3.529 153 C HA 0.169 4.627 4.460 -0.002 0.000 0.288 153 C C 0.617 175.348 174.990 -0.432 0.000 1.353 153 C CA -0.035 58.592 59.018 -0.651 0.000 1.705 153 C CB -0.301 26.669 27.740 -1.285 0.000 2.156 153 C HN 0.689 nan 8.230 nan 0.000 0.555 154 F N 1.757 121.488 119.950 -0.366 0.000 2.405 154 F HA 0.331 4.857 4.527 -0.002 0.000 0.355 154 F C -0.070 175.668 175.800 -0.104 0.000 1.121 154 F CA -0.166 57.705 58.000 -0.214 0.000 1.112 154 F CB 0.607 39.477 39.000 -0.216 0.000 1.126 154 F HN 0.271 nan 8.300 nan 0.000 0.481 155 D N 5.588 125.992 120.400 0.007 0.000 2.493 155 D HA 0.278 4.917 4.640 -0.002 0.000 0.235 155 D C -0.497 175.789 176.300 -0.022 0.000 1.117 155 D CA -0.216 53.734 54.000 -0.083 0.000 0.930 155 D CB 0.120 40.725 40.800 -0.325 0.000 1.010 155 D HN 0.304 nan 8.370 nan 0.000 0.514 156 I N 2.379 122.984 120.570 0.059 0.000 2.337 156 I HA 0.236 4.405 4.170 -0.002 0.000 0.291 156 I C 0.656 176.771 176.117 -0.004 0.000 1.046 156 I CA 0.075 61.406 61.300 0.053 0.000 1.324 156 I CB 1.374 39.425 38.000 0.085 0.000 1.409 156 I HN 0.132 nan 8.210 nan 0.000 0.494 157 T N 3.699 118.240 114.554 -0.021 0.000 2.894 157 T HA 0.537 4.885 4.350 -0.002 0.000 0.309 157 T C 0.450 175.136 174.700 -0.022 0.000 1.208 157 T CA 0.062 62.142 62.100 -0.032 0.000 1.016 157 T CB 1.428 70.259 68.868 -0.061 0.000 1.192 157 T HN 0.938 nan 8.240 nan 0.000 0.491 158 G N 2.391 111.179 108.800 -0.020 0.000 2.283 158 G HA2 -0.184 3.774 3.960 -0.002 0.000 0.280 158 G HA3 -0.184 3.774 3.960 -0.002 0.000 0.280 158 G C 0.102 174.997 174.900 -0.009 0.000 1.029 158 G CA 0.723 45.814 45.100 -0.014 0.000 0.840 158 G HN 0.922 nan 8.290 nan 0.000 0.505 159 S N -1.029 114.667 115.700 -0.007 0.000 2.638 159 S HA 0.929 5.398 4.470 -0.002 0.000 0.302 159 S C 0.064 174.665 174.600 0.001 0.000 1.096 159 S CA 0.087 58.285 58.200 -0.002 0.000 0.953 159 S CB 2.302 65.503 63.200 0.003 0.000 1.107 159 S HN 1.503 nan 8.310 nan 0.000 0.503 160 S N 0.225 115.927 115.700 0.003 0.000 2.570 160 S HA 0.539 5.008 4.470 -0.002 0.000 0.270 160 S C -1.295 173.310 174.600 0.008 0.000 1.149 160 S CA -1.047 57.162 58.200 0.015 0.000 0.837 160 S CB 0.983 64.190 63.200 0.012 0.000 1.124 160 S HN 0.661 nan 8.310 nan 0.000 0.465 161 Q N -0.256 119.562 119.800 0.030 0.000 2.431 161 Q HA -0.213 4.125 4.340 -0.002 0.000 0.344 161 Q C -1.019 174.976 176.000 -0.009 0.000 1.384 161 Q CA 0.660 56.463 55.803 -0.000 0.000 0.984 161 Q CB -1.568 27.137 28.738 -0.055 0.000 1.204 161 Q HN 0.674 nan 8.270 nan 0.000 0.392 162 L N -0.704 120.515 121.223 -0.007 0.000 2.362 162 L HA 0.682 5.021 4.340 -0.002 0.000 0.271 162 L C -0.665 176.178 176.870 -0.044 0.000 1.002 162 L CA 0.046 54.873 54.840 -0.022 0.000 0.818 162 L CB 2.589 44.638 42.059 -0.017 0.000 1.298 162 L HN 0.011 nan 8.230 nan 0.000 0.420 163 T N 5.945 120.470 114.554 -0.048 0.000 2.841 163 T HA 0.641 4.990 4.350 -0.002 0.000 0.285 163 T C -0.591 174.056 174.700 -0.089 0.000 0.991 163 T CA -0.075 61.982 62.100 -0.072 0.000 0.966 163 T CB 0.831 69.669 68.868 -0.051 0.000 0.962 163 T HN 0.461 nan 8.240 nan 0.000 0.438 164 I N 3.659 124.138 120.570 -0.152 0.000 2.439 164 I HA 0.522 4.690 4.170 -0.002 0.000 0.285 164 I C 0.035 176.036 176.117 -0.192 0.000 1.021 164 I CA -0.529 60.657 61.300 -0.189 0.000 1.091 164 I CB 1.480 39.283 38.000 -0.329 0.000 1.242 164 I HN 0.689 nan 8.210 nan 0.000 0.439 165 S N 2.755 118.398 115.700 -0.096 0.000 2.607 165 S HA 0.784 5.253 4.470 -0.002 0.000 0.273 165 S C 0.358 174.968 174.600 0.018 0.000 1.148 165 S CA -0.169 57.999 58.200 -0.053 0.000 0.833 165 S CB 1.911 65.090 63.200 -0.035 0.000 1.130 165 S HN 1.174 nan 8.310 nan 0.000 0.470 166 G N 0.219 109.054 108.800 0.058 0.000 2.153 166 G HA2 -0.185 3.773 3.960 -0.002 0.000 0.252 166 G HA3 -0.185 3.773 3.960 -0.002 0.000 0.252 166 G C -0.183 174.800 174.900 0.138 0.000 0.994 166 G CA 0.326 45.487 45.100 0.101 0.000 0.698 166 G HN 0.770 nan 8.290 nan 0.000 0.521 167 L N 0.045 121.356 121.223 0.147 0.000 2.375 167 L HA 0.600 4.938 4.340 -0.002 0.000 0.271 167 L C 0.722 177.758 176.870 0.276 0.000 1.107 167 L CA -0.436 54.531 54.840 0.211 0.000 0.806 167 L CB 1.380 43.576 42.059 0.229 0.000 1.146 167 L HN 0.073 nan 8.230 nan 0.000 0.447 168 I N 4.761 125.498 120.570 0.278 0.000 2.521 168 I HA 0.241 4.410 4.170 -0.002 0.000 0.277 168 I C -0.539 175.788 176.117 0.350 0.000 1.054 168 I CA -0.315 61.176 61.300 0.320 0.000 1.117 168 I CB 1.448 39.580 38.000 0.220 0.000 1.217 168 I HN 0.341 nan 8.210 nan 0.000 0.469 169 L N 4.972 126.437 121.223 0.404 0.000 2.268 169 L HA 0.397 4.736 4.340 -0.002 0.000 0.289 169 L C -0.398 176.904 176.870 0.720 0.000 1.064 169 L CA -0.204 54.918 54.840 0.471 0.000 0.824 169 L CB 0.636 42.801 42.059 0.178 0.000 1.202 169 L HN 0.463 nan 8.230 nan 0.000 0.433 170 D N 2.998 123.769 120.400 0.618 0.000 2.441 170 D HA 0.161 4.800 4.640 -0.002 0.000 0.231 170 D C 0.012 176.408 176.300 0.162 0.000 1.073 170 D CA -0.236 53.995 54.000 0.386 0.000 0.850 170 D CB 1.045 41.913 40.800 0.115 0.000 1.062 170 D HN 0.274 nan 8.370 nan 0.000 0.524 171 N N 2.340 121.025 118.700 -0.026 0.000 2.338 171 N HA 0.153 4.892 4.740 -0.002 0.000 0.251 171 N C 1.107 176.460 175.510 -0.263 0.000 1.199 171 N CA -0.071 52.742 53.050 -0.396 0.000 0.879 171 N CB 0.319 38.158 38.487 -1.081 0.000 1.159 171 N HN 0.258 nan 8.380 nan 0.000 0.514 172 R N -0.109 120.326 120.500 -0.109 0.000 2.193 172 R HA 0.044 4.383 4.340 -0.002 0.000 0.229 172 R C 1.795 178.022 176.300 -0.121 0.000 1.110 172 R CA 1.251 57.289 56.100 -0.104 0.000 0.988 172 R CB -0.030 30.212 30.300 -0.097 0.000 0.871 172 R HN 0.163 nan 8.270 nan 0.000 0.458 173 A N 0.061 122.836 122.820 -0.075 0.000 2.121 173 A HA -0.027 4.292 4.320 -0.002 0.000 0.218 173 A C 1.975 179.535 177.584 -0.039 0.000 1.154 173 A CA 1.464 53.508 52.037 0.012 0.000 0.679 173 A CB -0.439 18.644 19.000 0.139 0.000 0.795 173 A HN 0.430 nan 8.150 nan 0.000 0.458 174 G N -1.430 107.118 108.800 -0.421 0.000 3.141 174 G HA2 0.107 4.065 3.960 -0.002 0.000 0.218 174 G HA3 0.107 4.065 3.960 -0.002 0.000 0.218 174 G C 0.677 175.267 174.900 -0.518 0.000 1.170 174 G CA 0.531 45.083 45.100 -0.913 0.000 0.769 174 G HN 0.339 nan 8.290 nan 0.000 0.546 175 D N 0.944 121.166 120.400 -0.297 0.000 2.183 175 D HA -0.013 4.626 4.640 -0.002 0.000 0.203 175 D C 1.543 177.764 176.300 -0.131 0.000 0.969 175 D CA 0.715 54.601 54.000 -0.190 0.000 0.842 175 D CB 0.230 40.959 40.800 -0.119 0.000 0.957 175 D HN 0.513 nan 8.370 nan 0.000 0.484 176 K N 1.316 121.654 120.400 -0.103 0.000 2.118 176 K HA 0.411 4.730 4.320 -0.002 0.000 0.264 176 K C -2.775 173.794 176.600 -0.053 0.000 1.000 176 K CA -1.697 54.553 56.287 -0.061 0.000 0.929 176 K CB 1.068 33.547 32.500 -0.035 0.000 1.021 176 K HN -0.236 nan 8.250 nan 0.000 0.463 177 P HA 0.044 nan 4.420 nan 0.000 0.275 177 P C -1.125 176.175 177.300 -0.000 0.000 1.228 177 P CA -0.315 62.770 63.100 -0.025 0.000 0.786 177 P CB 0.674 32.358 31.700 -0.027 0.000 0.927 178 N N 0.536 119.247 118.700 0.019 0.000 2.992 178 N HA 0.491 5.230 4.740 -0.002 0.000 0.338 178 N C 0.336 175.855 175.510 0.015 0.000 1.376 178 N CA -0.894 52.174 53.050 0.030 0.000 0.778 178 N CB 0.371 38.899 38.487 0.068 0.000 1.232 178 N HN 0.177 nan 8.380 nan 0.000 0.581 179 A N -1.047 121.782 122.820 0.014 0.000 2.278 179 A HA 0.125 4.444 4.320 -0.002 0.000 0.212 179 A C 1.158 178.746 177.584 0.007 0.000 1.213 179 A CA 0.184 52.224 52.037 0.005 0.000 0.840 179 A CB -0.355 18.644 19.000 -0.002 0.000 0.866 179 A HN 0.590 nan 8.150 nan 0.000 0.489 180 K N -0.827 119.584 120.400 0.018 0.000 2.491 180 K HA 0.051 4.370 4.320 -0.002 0.000 0.211 180 K C 1.257 177.867 176.600 0.016 0.000 1.210 180 K CA 0.837 57.136 56.287 0.021 0.000 1.003 180 K CB 0.639 33.161 32.500 0.036 0.000 1.009 180 K HN 0.469 nan 8.250 nan 0.000 0.577 181 S N -0.508 115.199 115.700 0.012 0.000 2.539 181 S HA 0.242 4.711 4.470 -0.002 0.000 0.221 181 S C 1.357 175.944 174.600 -0.022 0.000 0.987 181 S CA 0.315 58.509 58.200 -0.009 0.000 0.929 181 S CB 0.458 63.649 63.200 -0.014 0.000 0.832 181 S HN 0.366 nan 8.310 nan 0.000 0.492 182 G N 2.764 111.556 108.800 -0.014 0.000 2.677 182 G HA2 -0.440 3.519 3.960 -0.002 0.000 0.321 182 G HA3 -0.440 3.519 3.960 -0.002 0.000 0.321 182 G C 1.169 176.056 174.900 -0.022 0.000 1.181 182 G CA 1.475 46.565 45.100 -0.017 0.000 0.965 182 G HN 1.508 nan 8.290 nan 0.000 0.548 183 S N 0.059 115.742 115.700 -0.029 0.000 2.556 183 S HA 0.595 5.064 4.470 -0.002 0.000 0.216 183 S C 0.754 175.330 174.600 -0.041 0.000 0.970 183 S CA 0.559 58.740 58.200 -0.031 0.000 0.912 183 S CB 0.311 63.493 63.200 -0.030 0.000 0.790 183 S HN 0.595 nan 8.310 nan 0.000 0.504 184 L N 2.638 123.830 121.223 -0.050 0.000 2.399 184 L HA 0.528 4.867 4.340 -0.002 0.000 0.266 184 L C -2.556 174.272 176.870 -0.071 0.000 1.114 184 L CA -2.171 52.627 54.840 -0.070 0.000 0.804 184 L CB 0.182 42.184 42.059 -0.095 0.000 1.146 184 L HN -0.036 nan 8.230 nan 0.000 0.451 185 P HA 0.099 nan 4.420 nan 0.000 0.269 185 P C 0.118 177.328 177.300 -0.150 0.000 1.252 185 P CA -0.093 62.940 63.100 -0.111 0.000 0.780 185 P CB 0.641 32.276 31.700 -0.107 0.000 0.829 186 A N 4.828 127.566 122.820 -0.136 0.000 1.893 186 A HA -0.222 4.097 4.320 -0.002 0.000 0.222 186 A C 1.254 178.645 177.584 -0.323 0.000 1.309 186 A CA 2.110 54.089 52.037 -0.096 0.000 0.681 186 A CB -1.576 17.445 19.000 0.034 0.000 0.842 186 A HN 0.606 nan 8.150 nan 0.000 0.468 187 A N -1.526 120.811 122.820 -0.806 0.000 2.388 187 A HA 0.540 4.859 4.320 -0.002 0.000 0.257 187 A C -0.122 177.221 177.584 -0.401 0.000 1.095 187 A CA 0.327 51.697 52.037 -1.112 0.000 0.791 187 A CB 0.024 18.119 19.000 -1.507 0.000 1.029 187 A HN 0.801 nan 8.150 nan 0.000 0.489 188 H N 0.851 119.683 119.070 -0.397 0.000 3.085 188 H HA 0.336 4.890 4.556 -0.002 0.000 0.356 188 H C -0.179 175.046 175.328 -0.172 0.000 1.178 188 H CA -0.213 55.703 56.048 -0.221 0.000 1.214 188 H CB 0.800 30.484 29.762 -0.130 0.000 1.881 188 H HN 0.780 nan 8.280 nan 0.000 0.538 189 N N 1.972 120.284 118.700 -0.646 0.000 2.754 189 N HA -0.152 4.587 4.740 -0.002 0.000 0.248 189 N C -0.553 174.748 175.510 -0.350 0.000 1.093 189 N CA 1.368 54.167 53.050 -0.419 0.000 0.699 189 N CB -1.427 36.904 38.487 -0.259 0.000 1.016 189 N HN 0.702 nan 8.380 nan 0.000 0.552 190 T N -2.143 112.287 114.554 -0.206 0.000 3.855 190 T HA 0.274 4.623 4.350 -0.002 0.000 0.306 190 T C -0.001 174.848 174.700 0.248 0.000 1.575 190 T CA -0.751 61.428 62.100 0.132 0.000 1.214 190 T CB 0.223 69.098 68.868 0.011 0.000 1.262 190 T HN -0.064 nan 8.240 nan 0.000 0.883 191 D N 1.552 122.026 120.400 0.123 0.000 2.472 191 D HA 0.307 4.946 4.640 -0.002 0.000 0.237 191 D C 1.484 177.820 176.300 0.060 0.000 1.141 191 D CA 0.480 54.573 54.000 0.155 0.000 0.875 191 D CB 0.724 41.718 40.800 0.323 0.000 1.192 191 D HN 0.438 nan 8.370 nan 0.000 0.450 192 G N 1.129 109.929 108.800 0.000 0.000 2.499 192 G HA2 -0.049 3.910 3.960 -0.002 0.000 0.213 192 G HA3 -0.049 3.910 3.960 -0.002 0.000 0.213 192 G C -0.042 174.514 174.900 -0.574 0.000 1.230 192 G CA 0.158 45.082 45.100 -0.293 0.000 0.813 192 G HN 0.407 nan 8.290 nan 0.000 0.542 193 F N 1.483 121.477 119.950 0.073 0.000 2.445 193 F HA 0.405 4.931 4.527 -0.002 0.000 0.348 193 F C -1.092 174.751 175.800 0.072 0.000 1.125 193 F CA -1.138 56.903 58.000 0.067 0.000 0.983 193 F CB 2.032 41.020 39.000 -0.019 0.000 1.198 193 F HN -0.071 nan 8.300 nan 0.000 0.436 194 D N 4.933 125.451 120.400 0.196 0.000 2.280 194 D HA 0.477 5.115 4.640 -0.002 0.000 0.236 194 D C -0.189 176.163 176.300 0.086 0.000 1.082 194 D CA 0.076 54.145 54.000 0.116 0.000 0.834 194 D CB 2.013 42.836 40.800 0.039 0.000 1.100 194 D HN 0.346 nan 8.370 nan 0.000 0.486 195 I N 1.527 122.137 120.570 0.068 0.000 2.474 195 I HA 0.329 4.498 4.170 -0.002 0.000 0.294 195 I C -0.079 176.041 176.117 0.004 0.000 1.005 195 I CA -0.474 60.844 61.300 0.031 0.000 1.113 195 I CB 1.756 39.768 38.000 0.020 0.000 1.289 195 I HN 0.298 nan 8.210 nan 0.000 0.436 196 S N 1.995 117.687 115.700 -0.014 0.000 2.537 196 S HA 0.402 4.871 4.470 -0.002 0.000 0.271 196 S C -0.247 174.339 174.600 -0.024 0.000 1.148 196 S CA -0.763 57.425 58.200 -0.020 0.000 0.868 196 S CB 1.703 64.886 63.200 -0.028 0.000 1.115 196 S HN 0.621 nan 8.310 nan 0.000 0.461 197 S N 0.659 116.346 115.700 -0.021 0.000 3.477 197 S HA -0.101 4.368 4.470 -0.002 0.000 0.371 197 S C 0.120 174.708 174.600 -0.020 0.000 0.965 197 S CA 1.088 59.277 58.200 -0.020 0.000 1.239 197 S CB -1.918 61.271 63.200 -0.018 0.000 0.918 197 S HN 0.998 nan 8.310 nan 0.000 0.498 198 S N 0.124 115.809 115.700 -0.024 0.000 2.595 198 S HA 0.713 5.181 4.470 -0.002 0.000 0.281 198 S C -0.682 173.901 174.600 -0.028 0.000 1.117 198 S CA -0.956 57.231 58.200 -0.022 0.000 0.873 198 S CB 2.317 65.503 63.200 -0.024 0.000 1.108 198 S HN 0.508 nan 8.310 nan 0.000 0.477 199 D N -0.428 119.968 120.400 -0.007 0.000 2.819 199 D HA 0.419 5.058 4.640 -0.002 0.000 0.232 199 D C -0.770 175.574 176.300 0.073 0.000 1.160 199 D CA -0.211 53.792 54.000 0.006 0.000 0.858 199 D CB 0.500 41.334 40.800 0.055 0.000 1.610 199 D HN 0.655 nan 8.370 nan 0.000 0.481 200 H N 1.086 120.110 119.070 -0.077 0.000 2.756 200 H HA -0.108 4.447 4.556 -0.002 0.000 0.315 200 H C -0.981 174.294 175.328 -0.089 0.000 1.210 200 H CA 0.532 56.530 56.048 -0.082 0.000 1.150 200 H CB -1.196 28.527 29.762 -0.066 0.000 1.463 200 H HN 0.090 nan 8.280 nan 0.000 0.427 201 V N 1.556 121.433 119.914 -0.062 0.000 2.427 201 V HA 0.297 4.415 4.120 -0.002 0.000 0.286 201 V C 0.854 176.868 176.094 -0.133 0.000 1.034 201 V CA -0.123 62.128 62.300 -0.081 0.000 0.893 201 V CB 2.103 33.872 31.823 -0.090 0.000 0.982 201 V HN 0.322 nan 8.190 nan 0.000 0.452 202 T N 6.341 120.819 114.554 -0.127 0.000 2.809 202 T HA 0.607 4.956 4.350 -0.002 0.000 0.284 202 T C -0.774 173.808 174.700 -0.197 0.000 0.992 202 T CA -0.317 61.690 62.100 -0.155 0.000 0.957 202 T CB 1.098 69.901 68.868 -0.108 0.000 0.942 202 T HN 0.232 nan 8.240 nan 0.000 0.439 203 L N 3.867 124.943 121.223 -0.244 0.000 2.305 203 L HA 0.625 4.964 4.340 -0.002 0.000 0.284 203 L C -0.352 176.383 176.870 -0.225 0.000 1.013 203 L CA -0.312 54.343 54.840 -0.308 0.000 0.819 203 L CB 1.479 43.282 42.059 -0.425 0.000 1.227 203 L HN 0.606 nan 8.230 nan 0.000 0.417 204 D N 2.562 122.853 120.400 -0.182 0.000 2.819 204 D HA 0.286 4.925 4.640 -0.002 0.000 0.232 204 D C -0.254 176.017 176.300 -0.048 0.000 1.160 204 D CA -0.358 53.581 54.000 -0.103 0.000 0.858 204 D CB 1.198 41.953 40.800 -0.074 0.000 1.610 204 D HN 0.488 nan 8.370 nan 0.000 0.481 205 N N 2.850 121.562 118.700 0.019 0.000 2.608 205 N HA -0.199 4.540 4.740 -0.002 0.000 0.273 205 N C -1.358 174.227 175.510 0.125 0.000 1.133 205 N CA 0.297 53.423 53.050 0.127 0.000 0.726 205 N CB -0.751 37.801 38.487 0.109 0.000 0.890 205 N HN 0.383 nan 8.380 nan 0.000 0.548 206 N N 1.417 120.189 118.700 0.120 0.000 2.310 206 N HA 0.260 4.999 4.740 -0.002 0.000 0.292 206 N C -1.439 174.153 175.510 0.138 0.000 1.049 206 N CA -0.298 52.829 53.050 0.130 0.000 0.849 206 N CB 1.117 39.587 38.487 -0.029 0.000 1.532 206 N HN 0.270 nan 8.380 nan 0.000 0.479 207 H N 0.767 119.953 119.070 0.193 0.000 2.467 207 H HA 0.443 4.998 4.556 -0.002 0.000 0.326 207 H C -0.636 174.737 175.328 0.074 0.000 1.094 207 H CA -0.362 55.754 56.048 0.113 0.000 1.253 207 H CB 1.902 31.744 29.762 0.132 0.000 1.439 207 H HN 0.104 nan 8.280 nan 0.000 0.479 208 V N 5.815 125.671 119.914 -0.096 0.000 2.462 208 V HA 0.107 4.226 4.120 -0.002 0.000 0.288 208 V C -1.209 174.760 176.094 -0.208 0.000 1.020 208 V CA -0.762 61.548 62.300 0.016 0.000 0.857 208 V CB 0.765 32.670 31.823 0.137 0.000 1.013 208 V HN 0.608 nan 8.190 nan 0.000 0.431 209 Y N 4.862 125.322 120.300 0.266 0.000 2.491 209 Y HA 0.536 5.085 4.550 -0.002 0.000 0.334 209 Y C 0.723 176.700 175.900 0.128 0.000 0.969 209 Y CA -0.611 57.588 58.100 0.166 0.000 1.241 209 Y CB 0.658 39.188 38.460 0.117 0.000 1.105 209 Y HN 0.817 nan 8.280 nan 0.000 0.503 210 N N 0.293 119.099 118.700 0.176 0.000 3.439 210 N HA 0.457 5.196 4.740 -0.002 0.000 0.343 210 N C -0.357 175.111 175.510 -0.071 0.000 1.597 210 N CA -0.925 52.159 53.050 0.056 0.000 0.733 210 N CB 1.087 39.726 38.487 0.253 0.000 1.973 210 N HN 0.189 nan 8.380 nan 0.000 0.646 211 Q N -0.382 119.318 119.800 -0.167 0.000 2.139 211 Q HA 0.429 4.768 4.340 -0.002 0.000 0.219 211 Q C -1.352 174.382 176.000 -0.444 0.000 0.805 211 Q CA -0.028 55.636 55.803 -0.232 0.000 1.024 211 Q CB 0.686 29.270 28.738 -0.258 0.000 1.163 211 Q HN 0.440 nan 8.270 nan 0.000 0.485 212 D N -1.093 119.037 120.400 -0.450 0.000 3.009 212 D HA 0.098 4.737 4.640 -0.002 0.000 0.318 212 D C -0.983 175.097 176.300 -0.366 0.000 1.273 212 D CA -0.527 52.997 54.000 -0.793 0.000 1.001 212 D CB 1.352 41.875 40.800 -0.462 0.000 1.411 212 D HN -0.213 nan 8.370 nan 0.000 0.577 213 D N 0.963 121.266 120.400 -0.161 0.000 2.570 213 D HA -0.068 4.571 4.640 -0.002 0.000 0.243 213 D C 1.231 177.572 176.300 0.068 0.000 1.171 213 D CA 0.165 54.197 54.000 0.053 0.000 0.879 213 D CB 0.465 41.331 40.800 0.109 0.000 1.143 213 D HN 0.325 nan 8.370 nan 0.000 0.511 214 c N 3.516 122.165 118.600 0.081 0.000 2.432 214 c HA -0.066 4.503 4.570 -0.002 0.000 0.277 214 c C 0.830 175.038 174.090 0.196 0.000 1.249 214 c CA 0.504 56.902 56.329 0.115 0.000 1.725 214 c CB 0.068 42.627 42.510 0.082 0.000 2.028 214 c HN 0.435 nan 8.230 nan 0.000 0.477 215 V N 1.045 121.065 119.914 0.177 0.000 2.567 215 V HA 0.646 4.764 4.120 -0.002 0.000 0.298 215 V C -0.377 175.837 176.094 0.200 0.000 1.047 215 V CA 0.046 62.490 62.300 0.241 0.000 0.880 215 V CB 1.083 33.071 31.823 0.275 0.000 1.009 215 V HN 0.497 nan 8.190 nan 0.000 0.429 216 A N 4.733 127.666 122.820 0.188 0.000 2.291 216 A HA 0.827 5.146 4.320 -0.002 0.000 0.311 216 A C -0.774 176.892 177.584 0.137 0.000 1.224 216 A CA -0.506 51.622 52.037 0.152 0.000 0.821 216 A CB 1.454 20.530 19.000 0.127 0.000 1.172 216 A HN 0.706 nan 8.150 nan 0.000 0.494 217 V N 3.876 123.876 119.914 0.143 0.000 2.275 217 V HA 0.189 4.308 4.120 -0.002 0.000 0.272 217 V C 1.399 177.531 176.094 0.063 0.000 1.028 217 V CA 0.412 62.768 62.300 0.092 0.000 0.810 217 V CB 0.484 32.361 31.823 0.091 0.000 1.043 217 V HN 1.070 nan 8.190 nan 0.000 0.453 218 T N -0.115 114.464 114.554 0.042 0.000 3.067 218 T HA 0.106 4.455 4.350 -0.002 0.000 0.261 218 T C 0.647 175.357 174.700 0.015 0.000 1.110 218 T CA 0.631 62.749 62.100 0.030 0.000 1.113 218 T CB 0.069 68.951 68.868 0.024 0.000 0.917 218 T HN 0.862 nan 8.240 nan 0.000 0.499 219 S N -1.542 114.160 115.700 0.004 0.000 2.614 219 S HA 0.640 5.108 4.470 -0.002 0.000 0.280 219 S C -0.456 174.128 174.600 -0.026 0.000 1.111 219 S CA -0.398 57.795 58.200 -0.010 0.000 0.847 219 S CB 1.282 64.477 63.200 -0.008 0.000 1.079 219 S HN 1.484 nan 8.310 nan 0.000 0.452 220 G N 0.450 109.227 108.800 -0.038 0.000 2.359 220 G HA2 0.503 4.462 3.960 -0.002 0.000 0.314 220 G HA3 0.503 4.462 3.960 -0.002 0.000 0.314 220 G C -0.770 174.082 174.900 -0.080 0.000 1.364 220 G CA 0.160 45.227 45.100 -0.055 0.000 0.978 220 G HN 2.180 nan 8.290 nan 0.000 0.615 221 T N -1.723 112.772 114.554 -0.098 0.000 2.909 221 T HA 0.642 4.991 4.350 -0.002 0.000 0.299 221 T C 0.115 174.686 174.700 -0.214 0.000 1.073 221 T CA -0.089 61.931 62.100 -0.133 0.000 0.999 221 T CB 1.893 70.703 68.868 -0.096 0.000 1.098 221 T HN 1.612 nan 8.240 nan 0.000 0.477 222 N N 0.961 119.497 118.700 -0.273 0.000 2.714 222 N HA -0.113 4.626 4.740 -0.002 0.000 0.253 222 N C -0.715 174.574 175.510 -0.367 0.000 1.024 222 N CA 0.438 53.241 53.050 -0.411 0.000 0.726 222 N CB -0.997 37.018 38.487 -0.786 0.000 0.908 222 N HN 0.658 nan 8.380 nan 0.000 0.542 223 I N 0.627 121.015 120.570 -0.304 0.000 2.359 223 I HA 0.366 4.535 4.170 -0.002 0.000 0.294 223 I C 0.746 176.643 176.117 -0.367 0.000 0.987 223 I CA -0.643 60.477 61.300 -0.300 0.000 1.225 223 I CB 1.811 39.642 38.000 -0.281 0.000 1.366 223 I HN -0.225 nan 8.210 nan 0.000 0.466 224 V N 6.953 126.672 119.914 -0.324 0.000 2.483 224 V HA 0.411 4.530 4.120 -0.002 0.000 0.297 224 V C -0.176 175.720 176.094 -0.330 0.000 1.027 224 V CA -0.635 61.465 62.300 -0.333 0.000 0.855 224 V CB 2.420 34.104 31.823 -0.231 0.000 0.995 224 V HN 0.448 nan 8.190 nan 0.000 0.424 225 V N 4.647 124.320 119.914 -0.403 0.000 2.349 225 V HA 0.643 4.762 4.120 -0.002 0.000 0.284 225 V C 0.027 176.029 176.094 -0.153 0.000 1.014 225 V CA -0.272 61.866 62.300 -0.270 0.000 0.826 225 V CB 1.577 33.256 31.823 -0.240 0.000 1.009 225 V HN 0.981 nan 8.190 nan 0.000 0.431 226 S N 2.306 117.925 115.700 -0.134 0.000 2.634 226 S HA 0.609 5.078 4.470 -0.002 0.000 0.296 226 S C -0.066 174.475 174.600 -0.098 0.000 1.104 226 S CA -0.886 57.255 58.200 -0.099 0.000 0.920 226 S CB 1.300 64.444 63.200 -0.094 0.000 1.111 226 S HN 0.772 nan 8.310 nan 0.000 0.493 227 N N 0.008 118.641 118.700 -0.112 0.000 2.714 227 N HA -0.117 4.622 4.740 -0.002 0.000 0.253 227 N C -0.942 174.440 175.510 -0.213 0.000 1.024 227 N CA 0.466 53.430 53.050 -0.143 0.000 0.726 227 N CB -0.954 37.535 38.487 0.003 0.000 0.908 227 N HN 0.491 nan 8.380 nan 0.000 0.542 228 M N 1.128 120.541 119.600 -0.311 0.000 2.238 228 M HA 0.258 4.737 4.480 -0.002 0.000 0.350 228 M C -0.502 175.494 176.300 -0.507 0.000 1.138 228 M CA -0.221 54.924 55.300 -0.258 0.000 1.040 228 M CB 0.628 33.160 32.600 -0.112 0.000 1.639 228 M HN 0.053 nan 8.290 nan 0.000 0.451 229 Y N 1.828 121.941 120.300 -0.311 0.000 2.854 229 Y HA 0.325 4.875 4.550 -0.001 0.000 0.330 229 Y C 0.017 175.750 175.900 -0.278 0.000 1.037 229 Y CA -0.557 57.324 58.100 -0.365 0.000 1.263 229 Y CB 0.798 38.752 38.460 -0.844 0.000 1.120 229 Y HN 0.544 nan 8.280 nan 0.000 0.532 230 c N 1.547 120.095 118.600 -0.087 0.000 2.365 230 c HA 0.775 5.344 4.570 -0.002 0.000 0.351 230 c C 0.382 174.439 174.090 -0.055 0.000 1.240 230 c CA -0.721 55.568 56.329 -0.068 0.000 2.062 230 c CB 0.734 43.227 42.510 -0.027 0.000 2.387 230 c HN 0.764 nan 8.230 nan 0.000 0.537 231 S N 0.801 116.464 115.700 -0.061 0.000 2.562 231 S HA 0.569 5.037 4.470 -0.002 0.000 0.274 231 S C 0.268 174.900 174.600 0.054 0.000 1.160 231 S CA 0.771 58.978 58.200 0.012 0.000 0.933 231 S CB 0.877 64.107 63.200 0.051 0.000 1.100 231 S HN 2.232 nan 8.310 nan 0.000 0.468 232 G N 2.825 111.659 108.800 0.058 0.000 2.212 232 G HA2 -0.186 3.772 3.960 -0.002 0.000 0.266 232 G HA3 -0.186 3.772 3.960 -0.002 0.000 0.266 232 G C 0.869 175.791 174.900 0.037 0.000 0.978 232 G CA 0.541 45.672 45.100 0.052 0.000 0.632 232 G HN 1.437 nan 8.290 nan 0.000 0.537 233 G N -1.653 107.170 108.800 0.038 0.000 2.531 233 G HA2 0.525 4.484 3.960 -0.002 0.000 0.253 233 G HA3 0.525 4.484 3.960 -0.002 0.000 0.253 233 G C 0.309 175.303 174.900 0.158 0.000 1.439 233 G CA 0.112 45.216 45.100 0.006 0.000 1.056 233 G HN 0.480 nan 8.290 nan 0.000 0.555 234 H N -0.528 118.543 119.070 0.003 0.000 2.594 234 H HA 0.371 4.926 4.556 -0.002 0.000 0.279 234 H C 1.289 176.606 175.328 -0.018 0.000 1.042 234 H CA -0.130 55.915 56.048 -0.005 0.000 1.177 234 H CB 0.402 30.169 29.762 0.008 0.000 1.524 234 H HN 0.936 nan 8.280 nan 0.000 0.537 235 G N 1.227 110.083 108.800 0.094 0.000 2.781 235 G HA2 -0.250 3.708 3.960 -0.002 0.000 0.683 235 G HA3 -0.250 3.708 3.960 -0.002 0.000 0.683 235 G C -0.510 174.380 174.900 -0.016 0.000 1.390 235 G CA -0.904 44.202 45.100 0.009 0.000 0.850 235 G HN 0.207 nan 8.290 nan 0.000 0.557 236 L N 1.327 122.492 121.223 -0.097 0.000 2.600 236 L HA 0.410 4.749 4.340 -0.002 0.000 0.278 236 L C 0.738 177.473 176.870 -0.224 0.000 1.139 236 L CA 0.036 54.751 54.840 -0.209 0.000 0.933 236 L CB 0.011 41.788 42.059 -0.471 0.000 1.266 236 L HN 0.556 nan 8.230 nan 0.000 0.471 237 S N 3.844 119.500 115.700 -0.074 0.000 2.536 237 S HA 0.643 5.112 4.470 -0.002 0.000 0.298 237 S C -0.285 174.359 174.600 0.072 0.000 1.083 237 S CA -0.768 57.424 58.200 -0.014 0.000 0.995 237 S CB 2.494 65.699 63.200 0.007 0.000 1.058 237 S HN 0.268 nan 8.310 nan 0.000 0.488 238 I N 2.593 123.225 120.570 0.103 0.000 2.336 238 I HA 0.608 4.777 4.170 -0.002 0.000 0.292 238 I C 0.987 177.138 176.117 0.058 0.000 0.991 238 I CA 0.697 62.074 61.300 0.129 0.000 1.227 238 I CB 0.325 38.430 38.000 0.174 0.000 1.366 238 I HN 1.064 nan 8.210 nan 0.000 0.466 239 G N 5.368 114.202 108.800 0.056 0.000 2.428 239 G HA2 -0.164 3.795 3.960 -0.002 0.000 0.202 239 G HA3 -0.164 3.795 3.960 -0.002 0.000 0.202 239 G C -0.267 174.652 174.900 0.032 0.000 1.247 239 G CA -0.253 44.864 45.100 0.029 0.000 1.020 239 G HN 0.810 nan 8.290 nan 0.000 0.529 240 S N -0.808 114.907 115.700 0.024 0.000 2.549 240 S HA 0.525 4.994 4.470 -0.002 0.000 0.283 240 S C 0.253 174.877 174.600 0.039 0.000 1.320 240 S CA 0.055 58.261 58.200 0.009 0.000 1.058 240 S CB 1.601 64.836 63.200 0.059 0.000 0.882 240 S HN 1.587 nan 8.310 nan 0.000 0.498 241 V N 3.139 123.073 119.914 0.034 0.000 2.472 241 V HA 0.815 4.933 4.120 -0.002 0.000 0.290 241 V C 0.808 176.929 176.094 0.045 0.000 1.037 241 V CA 0.589 62.911 62.300 0.037 0.000 0.908 241 V CB 0.492 32.333 31.823 0.030 0.000 0.985 241 V HN 1.552 nan 8.190 nan 0.000 0.454 242 G N 2.959 111.783 108.800 0.041 0.000 2.770 242 G HA2 0.470 4.429 3.960 -0.002 0.000 0.686 242 G HA3 0.470 4.429 3.960 -0.002 0.000 0.686 242 G C 0.535 175.464 174.900 0.048 0.000 1.180 242 G CA -0.315 44.810 45.100 0.042 0.000 0.767 242 G HN 1.995 nan 8.290 nan 0.000 0.646 243 G N 0.183 109.007 108.800 0.041 0.000 2.179 243 G HA2 -0.188 3.771 3.960 -0.002 0.000 0.260 243 G HA3 -0.188 3.771 3.960 -0.002 0.000 0.260 243 G C 0.482 175.405 174.900 0.038 0.000 0.977 243 G CA 1.613 46.738 45.100 0.042 0.000 0.641 243 G HN 1.043 nan 8.290 nan 0.000 0.533 244 K N -0.180 120.240 120.400 0.034 0.000 2.288 244 K HA 0.700 5.018 4.320 -0.002 0.000 0.234 244 K C 1.561 178.173 176.600 0.020 0.000 1.037 244 K CA -0.128 56.175 56.287 0.028 0.000 0.914 244 K CB 0.965 33.481 32.500 0.027 0.000 1.197 244 K HN -0.005 nan 8.250 nan 0.000 0.471 245 S N 0.357 116.066 115.700 0.015 0.000 2.370 245 S HA -0.138 4.330 4.470 -0.002 0.000 0.226 245 S C 0.227 174.831 174.600 0.007 0.000 1.033 245 S CA 1.419 59.624 58.200 0.010 0.000 1.011 245 S CB -0.101 63.102 63.200 0.005 0.000 0.852 245 S HN 0.515 nan 8.310 nan 0.000 0.457 246 D N 0.653 121.056 120.400 0.005 0.000 2.549 246 D HA 0.334 4.973 4.640 -0.002 0.000 0.251 246 D C -1.381 174.923 176.300 0.006 0.000 1.153 246 D CA -0.434 53.567 54.000 0.002 0.000 0.861 246 D CB 0.686 41.484 40.800 -0.004 0.000 1.207 246 D HN 0.077 nan 8.370 nan 0.000 0.543 247 N N 2.105 120.810 118.700 0.007 0.000 2.660 247 N HA 0.265 5.004 4.740 -0.002 0.000 0.316 247 N C -1.151 174.363 175.510 0.005 0.000 1.774 247 N CA -0.295 52.761 53.050 0.011 0.000 0.946 247 N CB 1.613 40.110 38.487 0.016 0.000 1.322 247 N HN -0.019 nan 8.380 nan 0.000 0.492 248 V N 1.168 121.081 119.914 -0.002 0.000 2.462 248 V HA 0.334 4.452 4.120 -0.002 0.000 0.288 248 V C -0.628 175.456 176.094 -0.018 0.000 1.020 248 V CA -0.717 61.578 62.300 -0.009 0.000 0.857 248 V CB 1.906 33.723 31.823 -0.011 0.000 1.013 248 V HN -0.030 nan 8.190 nan 0.000 0.431 249 V N 3.899 123.801 119.914 -0.020 0.000 2.357 249 V HA 0.578 4.697 4.120 -0.002 0.000 0.284 249 V C -0.791 175.272 176.094 -0.050 0.000 1.018 249 V CA -0.303 61.977 62.300 -0.034 0.000 0.841 249 V CB 1.844 33.656 31.823 -0.019 0.000 0.991 249 V HN 0.857 nan 8.190 nan 0.000 0.437 250 D N 3.947 124.304 120.400 -0.071 0.000 2.386 250 D HA 0.560 5.199 4.640 -0.002 0.000 0.247 250 D C 0.132 176.362 176.300 -0.117 0.000 1.336 250 D CA 0.508 54.459 54.000 -0.082 0.000 0.976 250 D CB 1.333 42.095 40.800 -0.064 0.000 1.257 250 D HN 0.926 nan 8.370 nan 0.000 0.570 251 G N 1.982 110.698 108.800 -0.140 0.000 2.980 251 G HA2 -0.001 3.957 3.960 -0.002 0.000 0.255 251 G HA3 -0.001 3.957 3.960 -0.002 0.000 0.255 251 G C -0.837 173.922 174.900 -0.234 0.000 1.020 251 G CA -0.222 44.770 45.100 -0.180 0.000 1.230 251 G HN 0.487 nan 8.290 nan 0.000 0.580 252 V N 1.885 121.638 119.914 -0.268 0.000 2.656 252 V HA 0.710 4.829 4.120 -0.002 0.000 0.307 252 V C 0.116 175.910 176.094 -0.500 0.000 1.051 252 V CA -0.713 61.351 62.300 -0.393 0.000 0.893 252 V CB 2.139 33.749 31.823 -0.355 0.000 0.999 252 V HN 0.633 nan 8.190 nan 0.000 0.426 253 Q N 3.304 122.721 119.800 -0.639 0.000 2.309 253 Q HA 0.537 4.875 4.340 -0.002 0.000 0.270 253 Q C -1.797 173.751 176.000 -0.754 0.000 1.023 253 Q CA -0.383 55.084 55.803 -0.561 0.000 0.758 253 Q CB 2.401 30.927 28.738 -0.355 0.000 1.247 253 Q HN 0.660 nan 8.270 nan 0.000 0.455 254 F N 3.720 123.428 119.950 -0.404 0.000 2.334 254 F HA 0.428 4.954 4.527 -0.003 0.000 0.367 254 F C -0.258 175.433 175.800 -0.181 0.000 1.115 254 F CA -0.384 57.428 58.000 -0.313 0.000 1.116 254 F CB 0.589 39.316 39.000 -0.457 0.000 1.230 254 F HN 0.230 nan 8.300 nan 0.000 0.484 255 L N 1.507 122.725 121.223 -0.008 0.000 2.341 255 L HA 0.501 4.839 4.340 -0.002 0.000 0.267 255 L C 0.162 177.019 176.870 -0.022 0.000 1.009 255 L CA -1.421 53.406 54.840 -0.022 0.000 0.819 255 L CB 1.830 43.847 42.059 -0.069 0.000 1.323 255 L HN 0.479 nan 8.230 nan 0.000 0.425 256 S N 1.133 116.821 115.700 -0.020 0.000 3.866 256 S HA -0.141 4.328 4.470 -0.002 0.000 0.232 256 S C -0.138 174.400 174.600 -0.103 0.000 0.711 256 S CA 0.314 58.486 58.200 -0.046 0.000 1.361 256 S CB -0.965 62.209 63.200 -0.043 0.000 1.635 256 S HN 0.662 nan 8.310 nan 0.000 0.388 257 S N 1.834 117.470 115.700 -0.107 0.000 2.607 257 S HA 0.591 5.059 4.470 -0.002 0.000 0.273 257 S C -0.914 173.568 174.600 -0.196 0.000 1.148 257 S CA -1.054 57.027 58.200 -0.199 0.000 0.833 257 S CB 1.958 65.099 63.200 -0.099 0.000 1.130 257 S HN 0.623 nan 8.310 nan 0.000 0.470 258 Q N 1.147 120.774 119.800 -0.290 0.000 2.321 258 Q HA 0.615 4.953 4.340 -0.002 0.000 0.270 258 Q C -1.597 174.331 176.000 -0.120 0.000 1.032 258 Q CA -0.593 55.101 55.803 -0.181 0.000 0.784 258 Q CB 2.250 30.873 28.738 -0.190 0.000 1.264 258 Q HN 0.395 nan 8.270 nan 0.000 0.448 259 V N 3.466 123.338 119.914 -0.069 0.000 2.350 259 V HA 0.491 4.609 4.120 -0.002 0.000 0.285 259 V C -0.268 175.812 176.094 -0.023 0.000 1.014 259 V CA -0.721 61.551 62.300 -0.047 0.000 0.831 259 V CB 1.274 33.063 31.823 -0.056 0.000 1.000 259 V HN 0.590 nan 8.190 nan 0.000 0.433 260 V N 1.923 121.837 119.914 0.000 0.000 2.864 260 V HA 0.695 4.814 4.120 -0.002 0.000 0.314 260 V C 0.229 176.338 176.094 0.026 0.000 1.073 260 V CA -1.044 61.267 62.300 0.018 0.000 0.956 260 V CB 1.773 33.624 31.823 0.046 0.000 1.023 260 V HN 0.764 nan 8.190 nan 0.000 0.435 261 N N 1.294 120.008 118.700 0.023 0.000 2.699 261 N HA -0.169 4.570 4.740 -0.002 0.000 0.256 261 N C -0.139 175.389 175.510 0.028 0.000 0.993 261 N CA 1.373 54.438 53.050 0.025 0.000 0.759 261 N CB -1.175 37.338 38.487 0.042 0.000 0.906 261 N HN 0.963 nan 8.380 nan 0.000 0.541 262 S N -0.863 114.847 115.700 0.017 0.000 2.632 262 S HA 0.314 4.783 4.470 -0.002 0.000 0.289 262 S C 1.177 175.783 174.600 0.010 0.000 1.115 262 S CA -0.801 57.422 58.200 0.038 0.000 0.889 262 S CB 2.621 65.842 63.200 0.036 0.000 1.116 262 S HN 0.368 nan 8.310 nan 0.000 0.486 263 Q N 0.946 120.765 119.800 0.032 0.000 2.050 263 Q HA -0.075 4.264 4.340 -0.002 0.000 0.202 263 Q C -0.355 175.585 176.000 -0.100 0.000 0.980 263 Q CA 1.365 57.112 55.803 -0.093 0.000 0.840 263 Q CB 0.094 28.663 28.738 -0.283 0.000 0.898 263 Q HN 0.627 nan 8.270 nan 0.000 0.424 264 N N -1.984 116.688 118.700 -0.047 0.000 2.284 264 N HA 0.218 4.957 4.740 -0.002 0.000 0.289 264 N C -0.121 175.353 175.510 -0.059 0.000 1.179 264 N CA 0.184 53.212 53.050 -0.036 0.000 0.774 264 N CB 1.605 40.096 38.487 0.006 0.000 1.548 264 N HN 0.146 nan 8.380 nan 0.000 0.473 265 G N 0.210 108.943 108.800 -0.112 0.000 2.572 265 G HA2 0.011 3.970 3.960 -0.002 0.000 0.214 265 G HA3 0.011 3.970 3.960 -0.002 0.000 0.214 265 G C -0.089 174.684 174.900 -0.212 0.000 1.246 265 G CA 0.598 45.610 45.100 -0.147 0.000 0.835 265 G HN 0.598 nan 8.290 nan 0.000 0.551 266 C N 0.745 119.843 119.300 -0.337 0.000 2.271 266 C HA 0.767 5.226 4.460 -0.002 0.000 0.323 266 C C 0.195 174.942 174.990 -0.406 0.000 1.245 266 C CA -0.986 57.697 59.018 -0.559 0.000 1.548 266 C CB -0.102 27.082 27.740 -0.926 0.000 2.214 266 C HN 0.531 nan 8.230 nan 0.000 0.477 267 R N 3.383 123.727 120.500 -0.261 0.000 2.561 267 R HA 0.762 5.101 4.340 -0.002 0.000 0.297 267 R C -1.647 174.627 176.300 -0.043 0.000 0.969 267 R CA -0.503 55.524 56.100 -0.120 0.000 0.879 267 R CB 0.824 31.088 30.300 -0.059 0.000 1.178 267 R HN 0.810 nan 8.270 nan 0.000 0.445 268 I N 6.040 126.611 120.570 0.001 0.000 2.420 268 I HA 0.280 4.449 4.170 -0.002 0.000 0.282 268 I C -0.569 175.547 176.117 -0.002 0.000 1.019 268 I CA -0.739 60.588 61.300 0.046 0.000 1.130 268 I CB 1.596 39.669 38.000 0.121 0.000 1.262 268 I HN 0.600 nan 8.210 nan 0.000 0.454 269 K N 4.227 124.585 120.400 -0.070 0.000 2.267 269 K HA 0.811 5.130 4.320 -0.002 0.000 0.246 269 K C -0.710 175.846 176.600 -0.073 0.000 0.954 269 K CA -0.675 55.514 56.287 -0.164 0.000 0.824 269 K CB 2.355 34.544 32.500 -0.519 0.000 1.167 269 K HN 0.466 nan 8.250 nan 0.000 0.431 270 S N 1.304 116.999 115.700 -0.009 0.000 2.547 270 S HA 0.330 4.799 4.470 -0.002 0.000 0.281 270 S C -0.797 173.876 174.600 0.120 0.000 1.118 270 S CA -1.083 57.148 58.200 0.051 0.000 0.947 270 S CB 1.000 64.233 63.200 0.055 0.000 1.053 270 S HN 0.594 nan 8.310 nan 0.000 0.482 271 N N 2.245 121.017 118.700 0.120 0.000 2.492 271 N HA 0.114 4.852 4.740 -0.002 0.000 0.262 271 N C 0.042 175.622 175.510 0.115 0.000 1.202 271 N CA 0.211 53.349 53.050 0.148 0.000 0.926 271 N CB 1.334 39.890 38.487 0.115 0.000 1.078 271 N HN 0.806 nan 8.380 nan 0.000 0.454 272 S N 0.874 116.646 115.700 0.120 0.000 2.528 272 S HA 0.390 4.859 4.470 -0.002 0.000 0.277 272 S C 1.243 175.881 174.600 0.063 0.000 1.297 272 S CA 0.410 58.662 58.200 0.087 0.000 1.052 272 S CB 0.214 63.463 63.200 0.083 0.000 0.917 272 S HN 0.801 nan 8.310 nan 0.000 0.492 273 G N 2.529 111.359 108.800 0.050 0.000 2.179 273 G HA2 -0.081 3.877 3.960 -0.002 0.000 0.260 273 G HA3 -0.081 3.877 3.960 -0.002 0.000 0.260 273 G C 0.257 175.179 174.900 0.037 0.000 0.977 273 G CA 0.151 45.274 45.100 0.039 0.000 0.641 273 G HN 1.456 nan 8.290 nan 0.000 0.533 274 A N -0.346 122.500 122.820 0.044 0.000 2.281 274 A HA 0.962 5.281 4.320 -0.002 0.000 0.329 274 A C 0.507 178.110 177.584 0.033 0.000 1.122 274 A CA 0.699 52.759 52.037 0.039 0.000 0.850 274 A CB 1.058 20.087 19.000 0.048 0.000 1.207 274 A HN 1.660 nan 8.150 nan 0.000 0.495 275 T N -1.817 112.754 114.554 0.027 0.000 2.885 275 T HA 0.838 5.187 4.350 -0.002 0.000 0.285 275 T C 0.076 174.789 174.700 0.020 0.000 1.019 275 T CA 0.018 62.131 62.100 0.021 0.000 1.010 275 T CB 1.693 70.571 68.868 0.017 0.000 1.022 275 T HN 2.053 nan 8.240 nan 0.000 0.466 276 G N 0.286 109.096 108.800 0.016 0.000 2.428 276 G HA2 0.567 4.526 3.960 -0.002 0.000 0.305 276 G HA3 0.567 4.526 3.960 -0.002 0.000 0.305 276 G C -1.452 173.453 174.900 0.010 0.000 1.260 276 G CA -0.731 44.378 45.100 0.014 0.000 0.853 276 G HN 0.874 nan 8.290 nan 0.000 0.480 277 T N 0.461 115.019 114.554 0.007 0.000 3.172 277 T HA 0.534 4.882 4.350 -0.002 0.000 0.320 277 T C -1.000 173.699 174.700 -0.001 0.000 1.085 277 T CA -0.193 61.908 62.100 0.002 0.000 1.052 277 T CB 1.060 69.925 68.868 -0.004 0.000 1.107 277 T HN 0.509 nan 8.240 nan 0.000 0.458 278 I N 3.918 124.489 120.570 0.001 0.000 2.495 278 I HA 0.424 4.592 4.170 -0.002 0.000 0.277 278 I C -0.372 175.732 176.117 -0.021 0.000 1.045 278 I CA -0.660 60.636 61.300 -0.006 0.000 1.135 278 I CB 1.206 39.213 38.000 0.012 0.000 1.241 278 I HN 0.432 nan 8.210 nan 0.000 0.469 279 N N 4.068 122.745 118.700 -0.040 0.000 2.292 279 N HA 0.394 5.132 4.740 -0.002 0.000 0.303 279 N C -0.039 175.419 175.510 -0.086 0.000 1.140 279 N CA -0.349 52.670 53.050 -0.052 0.000 0.788 279 N CB 1.104 39.568 38.487 -0.039 0.000 1.361 279 N HN 0.385 nan 8.380 nan 0.000 0.489 280 N N 1.161 119.801 118.700 -0.101 0.000 2.681 280 N HA -0.150 4.589 4.740 -0.002 0.000 0.259 280 N C -1.891 173.517 175.510 -0.169 0.000 1.066 280 N CA 0.505 53.477 53.050 -0.130 0.000 0.717 280 N CB -0.933 37.484 38.487 -0.116 0.000 0.885 280 N HN 0.263 nan 8.380 nan 0.000 0.547 281 V N 1.435 121.231 119.914 -0.197 0.000 2.409 281 V HA 0.543 4.662 4.120 -0.002 0.000 0.291 281 V C 0.414 176.326 176.094 -0.303 0.000 1.020 281 V CA -0.420 61.743 62.300 -0.229 0.000 0.848 281 V CB 2.118 33.851 31.823 -0.150 0.000 0.990 281 V HN 0.326 nan 8.190 nan 0.000 0.430 282 T N 4.785 119.141 114.554 -0.330 0.000 2.840 282 T HA 0.525 4.874 4.350 -0.002 0.000 0.287 282 T C -1.119 173.396 174.700 -0.308 0.000 0.991 282 T CA -0.245 61.675 62.100 -0.300 0.000 0.964 282 T CB 0.714 69.447 68.868 -0.224 0.000 0.954 282 T HN 0.420 nan 8.240 nan 0.000 0.438 283 Y N 2.816 123.029 120.300 -0.144 0.000 2.434 283 Y HA 0.474 5.022 4.550 -0.003 0.000 0.341 283 Y C 0.560 176.495 175.900 0.059 0.000 0.965 283 Y CA -0.583 57.545 58.100 0.045 0.000 1.205 283 Y CB 1.121 39.653 38.460 0.121 0.000 1.121 283 Y HN 0.494 nan 8.280 nan 0.000 0.507 284 Q N 3.130 123.015 119.800 0.142 0.000 2.337 284 Q HA 0.374 4.713 4.340 -0.002 0.000 0.270 284 Q C -0.684 175.369 176.000 0.089 0.000 1.043 284 Q CA -0.668 55.194 55.803 0.099 0.000 0.794 284 Q CB 0.906 29.660 28.738 0.025 0.000 1.281 284 Q HN 0.679 nan 8.270 nan 0.000 0.446 285 N N 3.174 121.927 118.700 0.088 0.000 2.708 285 N HA -0.146 4.593 4.740 -0.002 0.000 0.255 285 N C -1.377 174.164 175.510 0.051 0.000 1.046 285 N CA 0.872 53.957 53.050 0.058 0.000 0.715 285 N CB -0.681 37.823 38.487 0.029 0.000 0.895 285 N HN 0.510 nan 8.380 nan 0.000 0.545 286 I N 0.115 120.730 120.570 0.075 0.000 2.355 286 I HA 0.455 4.624 4.170 -0.002 0.000 0.288 286 I C 0.756 176.881 176.117 0.013 0.000 0.999 286 I CA -1.029 60.300 61.300 0.048 0.000 1.163 286 I CB 1.292 39.351 38.000 0.098 0.000 1.316 286 I HN 0.177 nan 8.210 nan 0.000 0.454 287 A N 8.194 131.005 122.820 -0.016 0.000 2.260 287 A HA 0.749 5.067 4.320 -0.002 0.000 0.308 287 A C -0.314 177.250 177.584 -0.033 0.000 1.254 287 A CA -0.437 51.590 52.037 -0.017 0.000 0.874 287 A CB 0.557 19.549 19.000 -0.015 0.000 1.153 287 A HN 0.708 nan 8.150 nan 0.000 0.527 288 L N 1.783 122.985 121.223 -0.036 0.000 2.331 288 L HA 0.708 5.047 4.340 -0.002 0.000 0.275 288 L C -0.095 176.758 176.870 -0.029 0.000 1.022 288 L CA -0.419 54.392 54.840 -0.049 0.000 0.812 288 L CB 2.152 44.161 42.059 -0.083 0.000 1.257 288 L HN 0.649 nan 8.230 nan 0.000 0.435 289 T N 1.287 115.827 114.554 -0.024 0.000 3.293 289 T HA 0.197 4.545 4.350 -0.002 0.000 0.320 289 T C -0.340 174.355 174.700 -0.008 0.000 0.995 289 T CA -0.484 61.611 62.100 -0.008 0.000 1.041 289 T CB 0.831 69.705 68.868 0.009 0.000 1.058 289 T HN 0.652 nan 8.240 nan 0.000 0.453 290 N N 2.700 121.393 118.700 -0.012 0.000 2.746 290 N HA -0.144 4.595 4.740 -0.002 0.000 0.250 290 N C -0.441 175.054 175.510 -0.024 0.000 1.055 290 N CA 0.229 53.271 53.050 -0.013 0.000 0.699 290 N CB -1.105 37.382 38.487 -0.000 0.000 0.919 290 N HN 0.540 nan 8.380 nan 0.000 0.548 291 I N 0.610 121.156 120.570 -0.039 0.000 2.519 291 I HA 0.086 4.255 4.170 -0.002 0.000 0.287 291 I C 2.009 178.087 176.117 -0.066 0.000 1.047 291 I CA 0.286 61.554 61.300 -0.054 0.000 1.381 291 I CB 1.082 39.040 38.000 -0.070 0.000 1.417 291 I HN 0.451 nan 8.210 nan 0.000 0.540 292 S N 3.394 119.044 115.700 -0.083 0.000 2.388 292 S HA -0.100 4.369 4.470 -0.002 0.000 0.223 292 S C 1.441 175.943 174.600 -0.163 0.000 1.034 292 S CA 1.019 59.157 58.200 -0.105 0.000 0.963 292 S CB 0.021 63.160 63.200 -0.102 0.000 0.827 292 S HN 0.819 nan 8.310 nan 0.000 0.481 293 T N -1.960 112.452 114.554 -0.236 0.000 3.221 293 T HA 0.356 4.705 4.350 -0.002 0.000 0.250 293 T C -0.710 173.754 174.700 -0.392 0.000 0.988 293 T CA -0.217 61.623 62.100 -0.433 0.000 1.163 293 T CB -0.075 68.385 68.868 -0.681 0.000 1.098 293 T HN 0.244 nan 8.240 nan 0.000 0.422 294 Y N 1.290 121.511 120.300 -0.132 0.000 2.331 294 Y HA 0.736 5.285 4.550 -0.001 0.000 0.334 294 Y C 1.275 177.067 175.900 -0.180 0.000 0.960 294 Y CA -1.436 56.584 58.100 -0.134 0.000 1.130 294 Y CB 1.724 40.118 38.460 -0.109 0.000 1.164 294 Y HN 0.292 nan 8.280 nan 0.000 0.458 295 G N 2.050 110.817 108.800 -0.054 0.000 2.414 295 G HA2 0.034 3.993 3.960 -0.002 0.000 0.215 295 G HA3 0.034 3.993 3.960 -0.002 0.000 0.215 295 G C -0.252 174.404 174.900 -0.407 0.000 1.188 295 G CA 0.589 45.538 45.100 -0.250 0.000 0.783 295 G HN 0.369 nan 8.290 nan 0.000 0.537 296 V N 1.013 120.595 119.914 -0.554 0.000 2.482 296 V HA 0.399 4.518 4.120 -0.002 0.000 0.295 296 V C -1.634 174.262 176.094 -0.330 0.000 1.026 296 V CA -0.851 61.077 62.300 -0.620 0.000 0.856 296 V CB 1.787 32.845 31.823 -1.276 0.000 1.001 296 V HN 0.326 nan 8.190 nan 0.000 0.424 297 D N 4.284 124.549 120.400 -0.224 0.000 2.391 297 D HA 0.597 5.236 4.640 -0.002 0.000 0.245 297 D C -1.092 175.178 176.300 -0.050 0.000 1.069 297 D CA -0.272 53.629 54.000 -0.165 0.000 0.831 297 D CB 2.093 42.806 40.800 -0.144 0.000 1.204 297 D HN 0.241 nan 8.370 nan 0.000 0.503 298 V N 5.405 125.322 119.914 0.006 0.000 2.439 298 V HA 0.316 4.435 4.120 -0.002 0.000 0.277 298 V C -0.544 175.578 176.094 0.046 0.000 1.008 298 V CA -0.644 61.706 62.300 0.084 0.000 0.846 298 V CB 0.971 32.938 31.823 0.239 0.000 1.031 298 V HN 0.665 nan 8.190 nan 0.000 0.441 299 Q N 3.395 123.238 119.800 0.072 0.000 2.423 299 Q HA 0.688 5.027 4.340 -0.002 0.000 0.278 299 Q C -1.060 175.004 176.000 0.106 0.000 1.097 299 Q CA -0.996 54.869 55.803 0.104 0.000 0.809 299 Q CB 2.746 31.646 28.738 0.269 0.000 1.391 299 Q HN 0.553 nan 8.270 nan 0.000 0.428 300 Q N 1.183 121.049 119.800 0.110 0.000 2.182 300 Q HA 0.128 4.467 4.340 -0.002 0.000 0.305 300 Q C -0.910 175.174 176.000 0.140 0.000 0.880 300 Q CA -0.029 55.839 55.803 0.107 0.000 1.131 300 Q CB 0.637 29.412 28.738 0.062 0.000 1.237 300 Q HN 0.734 nan 8.270 nan 0.000 0.447 301 D N -1.098 119.431 120.400 0.216 0.000 2.720 301 D HA 0.003 4.641 4.640 -0.002 0.000 0.285 301 D C -0.674 175.770 176.300 0.240 0.000 1.359 301 D CA -0.481 53.636 54.000 0.195 0.000 0.818 301 D CB -0.232 40.670 40.800 0.171 0.000 1.108 301 D HN 0.000 nan 8.370 nan 0.000 0.474 302 Y N 0.904 121.252 120.300 0.080 0.000 2.365 302 Y HA 0.431 4.979 4.550 -0.002 0.000 0.340 302 Y C -0.329 175.610 175.900 0.065 0.000 1.016 302 Y CA -0.766 57.380 58.100 0.078 0.000 1.196 302 Y CB 1.172 39.682 38.460 0.083 0.000 1.167 302 Y HN 0.102 nan 8.280 nan 0.000 0.509 303 L N 5.662 126.868 121.223 -0.028 0.000 2.446 303 L HA 0.437 4.776 4.340 -0.002 0.000 0.268 303 L C -0.698 176.156 176.870 -0.027 0.000 0.975 303 L CA -0.363 54.483 54.840 0.009 0.000 0.848 303 L CB 0.762 42.824 42.059 0.006 0.000 1.225 303 L HN 0.740 nan 8.230 nan 0.000 0.410 304 N N 3.934 122.651 118.700 0.029 0.000 2.815 304 N HA -0.168 4.571 4.740 -0.002 0.000 0.248 304 N C 0.841 176.361 175.510 0.018 0.000 1.110 304 N CA 1.331 54.398 53.050 0.029 0.000 0.699 304 N CB -1.359 37.133 38.487 0.009 0.000 1.040 304 N HN 1.292 nan 8.380 nan 0.000 0.555 305 G N -2.016 106.815 108.800 0.050 0.000 2.153 305 G HA2 -0.058 3.901 3.960 -0.002 0.000 0.252 305 G HA3 -0.058 3.901 3.960 -0.002 0.000 0.252 305 G C 0.337 175.125 174.900 -0.186 0.000 0.994 305 G CA 0.732 45.881 45.100 0.082 0.000 0.698 305 G HN 1.132 nan 8.290 nan 0.000 0.521 306 G N -0.546 107.979 108.800 -0.459 0.000 2.682 306 G HA2 0.786 4.744 3.960 -0.002 0.000 0.300 306 G HA3 0.786 4.744 3.960 -0.002 0.000 0.300 306 G C -2.980 171.498 174.900 -0.703 0.000 1.391 306 G CA -0.874 43.898 45.100 -0.546 0.000 0.990 306 G HN 0.172 nan 8.290 nan 0.000 0.501 307 P HA 0.216 nan 4.420 nan 0.000 0.271 307 P C 0.292 177.537 177.300 -0.092 0.000 1.216 307 P CA 0.070 63.026 63.100 -0.240 0.000 0.776 307 P CB 1.967 33.666 31.700 -0.003 0.000 0.881 308 T N 0.981 115.534 114.554 -0.003 0.000 3.023 308 T HA 0.269 4.617 4.350 -0.002 0.000 0.249 308 T C 1.315 176.045 174.700 0.050 0.000 1.050 308 T CA 1.022 63.131 62.100 0.015 0.000 1.088 308 T CB -0.478 68.406 68.868 0.026 0.000 0.946 308 T HN 0.676 nan 8.240 nan 0.000 0.480 309 G N 1.603 110.460 108.800 0.095 0.000 2.234 309 G HA2 -0.191 3.768 3.960 -0.002 0.000 0.235 309 G HA3 -0.191 3.768 3.960 -0.002 0.000 0.235 309 G C 0.051 175.009 174.900 0.097 0.000 0.997 309 G CA -0.070 45.099 45.100 0.114 0.000 0.623 309 G HN 0.504 nan 8.290 nan 0.000 0.514 310 K N 2.123 122.570 120.400 0.078 0.000 2.473 310 K HA 0.475 4.794 4.320 -0.002 0.000 0.246 310 K C -2.678 173.960 176.600 0.064 0.000 1.011 310 K CA -1.784 54.540 56.287 0.061 0.000 0.984 310 K CB 2.508 35.035 32.500 0.045 0.000 1.250 310 K HN 0.147 nan 8.250 nan 0.000 0.454 311 P HA 0.020 nan 4.420 nan 0.000 0.275 311 P C -0.328 176.996 177.300 0.040 0.000 1.227 311 P CA -0.268 62.867 63.100 0.059 0.000 0.781 311 P CB 1.063 32.788 31.700 0.042 0.000 0.906 312 T N -1.725 112.854 114.554 0.042 0.000 2.937 312 T HA 0.408 4.757 4.350 -0.002 0.000 0.283 312 T C 0.625 175.334 174.700 0.016 0.000 1.012 312 T CA -0.911 61.207 62.100 0.029 0.000 0.997 312 T CB 0.784 69.674 68.868 0.036 0.000 1.136 312 T HN 0.532 nan 8.240 nan 0.000 0.551 313 N N -1.136 117.569 118.700 0.009 0.000 2.338 313 N HA 0.251 4.990 4.740 -0.002 0.000 0.251 313 N C 1.372 176.884 175.510 0.002 0.000 1.199 313 N CA -0.704 52.344 53.050 -0.003 0.000 0.879 313 N CB 0.393 38.873 38.487 -0.012 0.000 1.159 313 N HN 0.702 nan 8.380 nan 0.000 0.514 314 G N 0.497 109.305 108.800 0.013 0.000 2.430 314 G HA2 -0.015 3.943 3.960 -0.002 0.000 0.216 314 G HA3 -0.015 3.943 3.960 -0.002 0.000 0.216 314 G C 0.494 175.402 174.900 0.014 0.000 1.146 314 G CA 0.426 45.535 45.100 0.014 0.000 0.793 314 G HN 0.188 nan 8.290 nan 0.000 0.537 315 V N 2.287 122.211 119.914 0.017 0.000 2.364 315 V HA 0.289 4.408 4.120 -0.002 0.000 0.272 315 V C -0.542 175.558 176.094 0.010 0.000 1.036 315 V CA -1.007 61.303 62.300 0.018 0.000 0.880 315 V CB 1.467 33.307 31.823 0.028 0.000 0.991 315 V HN 0.054 nan 8.190 nan 0.000 0.460 316 K N 6.014 126.418 120.400 0.006 0.000 2.285 316 K HA 0.504 4.823 4.320 -0.002 0.000 0.286 316 K C -0.527 176.081 176.600 0.014 0.000 1.072 316 K CA -0.029 56.258 56.287 0.001 0.000 0.913 316 K CB 1.245 33.744 32.500 -0.001 0.000 1.067 316 K HN 0.541 nan 8.250 nan 0.000 0.479 317 I N 2.451 123.037 120.570 0.026 0.000 2.321 317 I HA 0.143 4.312 4.170 -0.002 0.000 0.291 317 I C 0.216 176.400 176.117 0.112 0.000 0.998 317 I CA -0.360 60.983 61.300 0.072 0.000 1.227 317 I CB 1.281 39.363 38.000 0.136 0.000 1.368 317 I HN 0.530 nan 8.210 nan 0.000 0.466 318 S N 2.969 118.711 115.700 0.070 0.000 2.569 318 S HA 0.499 4.968 4.470 -0.002 0.000 0.280 318 S C -0.410 174.201 174.600 0.017 0.000 1.111 318 S CA -1.000 57.250 58.200 0.082 0.000 0.887 318 S CB 1.586 64.811 63.200 0.042 0.000 1.095 318 S HN 0.786 nan 8.310 nan 0.000 0.476 319 N N 0.194 118.917 118.700 0.038 0.000 2.681 319 N HA -0.111 4.627 4.740 -0.002 0.000 0.259 319 N C -1.075 174.329 175.510 -0.176 0.000 1.066 319 N CA 0.400 53.423 53.050 -0.046 0.000 0.717 319 N CB -1.112 37.344 38.487 -0.052 0.000 0.885 319 N HN 0.566 nan 8.380 nan 0.000 0.547 320 I N 0.780 121.159 120.570 -0.317 0.000 2.377 320 I HA 0.293 4.462 4.170 -0.002 0.000 0.293 320 I C 0.485 176.208 176.117 -0.658 0.000 0.987 320 I CA -0.151 60.782 61.300 -0.612 0.000 1.185 320 I CB 1.527 38.870 38.000 -1.095 0.000 1.341 320 I HN 0.093 nan 8.210 nan 0.000 0.455 321 K N 6.113 126.127 120.400 -0.642 0.000 2.413 321 K HA 0.490 4.809 4.320 -0.002 0.000 0.257 321 K C -1.420 174.829 176.600 -0.585 0.000 0.946 321 K CA -0.474 55.520 56.287 -0.488 0.000 0.823 321 K CB 1.838 34.183 32.500 -0.258 0.000 1.109 321 K HN 0.229 nan 8.250 nan 0.000 0.427 322 F N 4.265 124.174 119.950 -0.069 0.000 2.311 322 F HA 0.400 4.924 4.527 -0.004 0.000 0.371 322 F C 0.077 175.977 175.800 0.166 0.000 1.083 322 F CA -0.583 57.497 58.000 0.133 0.000 1.113 322 F CB 0.469 39.651 39.000 0.304 0.000 1.349 322 F HN 0.219 nan 8.300 nan 0.000 0.470 323 I N 3.845 124.568 120.570 0.256 0.000 2.355 323 I HA 0.244 4.413 4.170 -0.002 0.000 0.288 323 I C 0.120 176.349 176.117 0.187 0.000 0.999 323 I CA -0.918 60.494 61.300 0.186 0.000 1.163 323 I CB 1.316 39.371 38.000 0.092 0.000 1.316 323 I HN 0.483 nan 8.210 nan 0.000 0.454 324 K N 3.308 123.819 120.400 0.185 0.000 3.150 324 K HA -0.127 4.192 4.320 -0.002 0.000 0.267 324 K C -0.823 175.868 176.600 0.151 0.000 1.028 324 K CA 0.085 56.459 56.287 0.146 0.000 0.753 324 K CB -0.931 31.630 32.500 0.100 0.000 1.288 324 K HN 0.378 nan 8.250 nan 0.000 0.473 325 V N 2.087 122.122 119.914 0.202 0.000 2.284 325 V HA 0.092 4.210 4.120 -0.002 0.000 0.260 325 V C 0.950 177.099 176.094 0.093 0.000 1.084 325 V CA 0.195 62.582 62.300 0.144 0.000 0.894 325 V CB 0.855 32.776 31.823 0.163 0.000 1.119 325 V HN 0.467 nan 8.190 nan 0.000 0.484 326 T N 1.534 116.124 114.554 0.060 0.000 2.919 326 T HA 0.976 5.325 4.350 -0.002 0.000 0.282 326 T C 0.203 174.907 174.700 0.006 0.000 1.020 326 T CA -0.038 62.089 62.100 0.044 0.000 0.994 326 T CB 2.194 71.093 68.868 0.052 0.000 1.180 326 T HN 1.369 nan 8.240 nan 0.000 0.566 327 G N 0.007 108.812 108.800 0.007 0.000 2.331 327 G HA2 0.402 4.360 3.960 -0.002 0.000 0.402 327 G HA3 0.402 4.360 3.960 -0.002 0.000 0.402 327 G C -0.488 174.405 174.900 -0.012 0.000 1.275 327 G CA -0.187 44.908 45.100 -0.007 0.000 1.003 327 G HN 1.825 nan 8.290 nan 0.000 0.500 328 T N -2.549 111.994 114.554 -0.018 0.000 2.900 328 T HA 0.873 5.222 4.350 -0.002 0.000 0.295 328 T C -0.088 174.593 174.700 -0.031 0.000 1.044 328 T CA -0.030 62.059 62.100 -0.017 0.000 0.995 328 T CB 1.602 70.468 68.868 -0.004 0.000 1.072 328 T HN 2.180 nan 8.240 nan 0.000 0.473 329 V N -0.141 119.753 119.914 -0.033 0.000 2.715 329 V HA 0.966 5.085 4.120 -0.002 0.000 0.310 329 V C 0.594 176.670 176.094 -0.029 0.000 1.054 329 V CA -1.225 61.051 62.300 -0.041 0.000 0.928 329 V CB 0.792 32.581 31.823 -0.055 0.000 1.007 329 V HN 1.433 nan 8.190 nan 0.000 0.437 330 A N 2.848 125.648 122.820 -0.034 0.000 2.492 330 A HA 0.365 4.684 4.320 -0.002 0.000 0.236 330 A C 1.655 179.222 177.584 -0.028 0.000 1.078 330 A CA 0.513 52.532 52.037 -0.030 0.000 0.773 330 A CB -0.013 18.964 19.000 -0.038 0.000 1.023 330 A HN 2.081 nan 8.150 nan 0.000 0.504 331 S N 0.054 115.741 115.700 -0.022 0.000 2.469 331 S HA -0.136 4.333 4.470 -0.002 0.000 0.238 331 S C 1.399 175.984 174.600 -0.026 0.000 0.998 331 S CA 1.367 59.556 58.200 -0.018 0.000 0.957 331 S CB -0.617 62.575 63.200 -0.014 0.000 0.764 331 S HN 1.506 nan 8.310 nan 0.000 0.514 332 S N 0.356 116.030 115.700 -0.042 0.000 2.575 332 S HA 0.674 5.142 4.470 -0.002 0.000 0.215 332 S C 0.456 175.006 174.600 -0.085 0.000 0.966 332 S CA -0.175 57.989 58.200 -0.059 0.000 0.911 332 S CB -0.094 63.066 63.200 -0.067 0.000 0.780 332 S HN 0.791 nan 8.310 nan 0.000 0.514 333 A N 0.839 123.617 122.820 -0.070 0.000 2.386 333 A HA 0.734 5.052 4.320 -0.002 0.000 0.308 333 A C -0.705 176.873 177.584 -0.010 0.000 1.128 333 A CA -0.945 51.041 52.037 -0.086 0.000 0.789 333 A CB 1.054 19.996 19.000 -0.097 0.000 1.325 333 A HN 0.404 nan 8.150 nan 0.000 0.437 334 Q N 0.448 120.283 119.800 0.059 0.000 2.257 334 Q HA 0.219 4.558 4.340 -0.002 0.000 0.255 334 Q C -0.333 175.735 176.000 0.114 0.000 0.920 334 Q CA -0.826 55.061 55.803 0.140 0.000 0.927 334 Q CB 1.536 30.432 28.738 0.263 0.000 1.229 334 Q HN 0.735 nan 8.270 nan 0.000 0.433 335 D N 1.685 122.132 120.400 0.078 0.000 2.177 335 D HA -0.183 4.456 4.640 -0.002 0.000 0.189 335 D C -0.394 175.766 176.300 -0.232 0.000 1.002 335 D CA 1.657 55.639 54.000 -0.031 0.000 0.845 335 D CB 0.113 41.018 40.800 0.175 0.000 0.960 335 D HN 0.444 nan 8.370 nan 0.000 0.447 336 W N -0.983 120.327 121.300 0.017 0.000 2.632 336 W HA 0.480 5.142 4.660 0.003 0.000 0.328 336 W C -0.913 175.641 176.519 0.057 0.000 1.044 336 W CA -0.897 56.432 57.345 -0.026 0.000 1.225 336 W CB 1.075 30.475 29.460 -0.100 0.000 1.396 336 W HN -0.247 nan 8.180 nan 0.000 0.499 337 F N 5.187 125.126 119.950 -0.017 0.000 2.716 337 F HA 0.584 5.110 4.527 -0.001 0.000 0.354 337 F C -1.254 174.481 175.800 -0.108 0.000 1.168 337 F CA -1.056 56.849 58.000 -0.159 0.000 1.045 337 F CB 0.432 39.040 39.000 -0.652 0.000 1.311 337 F HN 0.153 nan 8.300 nan 0.000 0.477 338 I N 7.319 127.575 120.570 -0.524 0.000 2.382 338 I HA 0.299 4.468 4.170 -0.002 0.000 0.285 338 I C -1.196 174.624 176.117 -0.496 0.000 1.007 338 I CA -0.839 60.265 61.300 -0.327 0.000 1.142 338 I CB 1.772 39.782 38.000 0.017 0.000 1.289 338 I HN 0.413 nan 8.210 nan 0.000 0.453 339 L N 7.763 128.712 121.223 -0.456 0.000 2.599 339 L HA 0.438 4.776 4.340 -0.002 0.000 0.241 339 L C -0.249 176.565 176.870 -0.093 0.000 1.207 339 L CA -0.044 54.623 54.840 -0.288 0.000 0.987 339 L CB 0.333 42.245 42.059 -0.245 0.000 1.318 339 L HN 0.586 nan 8.230 nan 0.000 0.458 340 c N 1.399 119.951 118.600 -0.080 0.000 2.595 340 c HA 0.683 5.252 4.570 -0.002 0.000 0.384 340 c C 1.538 175.590 174.090 -0.063 0.000 1.289 340 c CA -0.023 56.258 56.329 -0.078 0.000 2.372 340 c CB 0.530 42.920 42.510 -0.201 0.000 2.593 340 c HN 0.897 nan 8.230 nan 0.000 0.639 341 G N 0.665 109.430 108.800 -0.059 0.000 2.611 341 G HA2 0.201 4.159 3.960 -0.002 0.000 0.273 341 G HA3 0.201 4.159 3.960 -0.002 0.000 0.273 341 G C -0.326 174.543 174.900 -0.051 0.000 1.305 341 G CA -0.018 45.060 45.100 -0.036 0.000 1.010 341 G HN 0.772 nan 8.290 nan 0.000 0.509 342 D N -0.292 120.092 120.400 -0.027 0.000 2.455 342 D HA 0.370 5.009 4.640 -0.002 0.000 0.234 342 D C 1.317 177.599 176.300 -0.030 0.000 1.224 342 D CA 0.982 54.969 54.000 -0.021 0.000 0.999 342 D CB -0.499 40.297 40.800 -0.007 0.000 1.072 342 D HN 0.881 nan 8.370 nan 0.000 0.514 343 G N 2.681 111.450 108.800 -0.052 0.000 2.132 343 G HA2 -0.284 3.675 3.960 -0.002 0.000 0.234 343 G HA3 -0.284 3.675 3.960 -0.002 0.000 0.234 343 G C 0.893 175.745 174.900 -0.081 0.000 0.989 343 G CA 0.539 45.609 45.100 -0.051 0.000 0.676 343 G HN 0.590 nan 8.290 nan 0.000 0.522 344 S N -2.074 113.557 115.700 -0.115 0.000 2.556 344 S HA 0.477 4.946 4.470 -0.002 0.000 0.216 344 S C 0.773 175.280 174.600 -0.155 0.000 0.970 344 S CA 0.342 58.483 58.200 -0.097 0.000 0.912 344 S CB 0.530 63.695 63.200 -0.059 0.000 0.790 344 S HN 0.694 nan 8.310 nan 0.000 0.504 345 c N 2.654 121.043 118.600 -0.352 0.000 2.456 345 c HA 0.932 5.500 4.570 -0.002 0.000 0.325 345 c C 0.173 173.870 174.090 -0.655 0.000 1.217 345 c CA -0.488 55.494 56.329 -0.579 0.000 1.687 345 c CB 1.143 42.966 42.510 -1.144 0.000 2.270 345 c HN 0.667 nan 8.230 nan 0.000 0.499 346 S N 0.656 116.240 115.700 -0.195 0.000 2.547 346 S HA 0.703 5.172 4.470 -0.002 0.000 0.270 346 S C -0.246 174.553 174.600 0.332 0.000 1.150 346 S CA 0.244 58.510 58.200 0.110 0.000 0.850 346 S CB 1.012 64.256 63.200 0.072 0.000 1.118 346 S HN 2.466 nan 8.310 nan 0.000 0.461 347 G N 0.766 109.768 108.800 0.336 0.000 2.333 347 G HA2 -0.164 3.795 3.960 -0.002 0.000 0.296 347 G HA3 -0.164 3.795 3.960 -0.002 0.000 0.296 347 G C -0.595 174.541 174.900 0.393 0.000 1.059 347 G CA -0.151 45.110 45.100 0.269 0.000 1.050 347 G HN 0.749 nan 8.290 nan 0.000 0.508 348 F N 0.525 120.555 119.950 0.133 0.000 2.408 348 F HA 0.616 5.140 4.527 -0.004 0.000 0.344 348 F C 0.972 176.661 175.800 -0.186 0.000 1.112 348 F CA -0.861 57.124 58.000 -0.025 0.000 1.096 348 F CB 2.008 41.085 39.000 0.130 0.000 1.129 348 F HN 0.041 nan 8.300 nan 0.000 0.486 349 T N 4.757 119.168 114.554 -0.238 0.000 2.841 349 T HA 0.632 4.981 4.350 -0.002 0.000 0.283 349 T C -1.131 173.366 174.700 -0.338 0.000 1.000 349 T CA -0.421 61.580 62.100 -0.165 0.000 0.977 349 T CB 0.673 69.494 68.868 -0.078 0.000 0.979 349 T HN 0.141 nan 8.240 nan 0.000 0.446 350 F N 1.529 121.572 119.950 0.155 0.000 2.507 350 F HA 0.650 5.173 4.527 -0.006 0.000 0.328 350 F C 0.435 176.298 175.800 0.105 0.000 1.136 350 F CA -0.788 57.311 58.000 0.165 0.000 0.930 350 F CB 2.073 41.095 39.000 0.037 0.000 1.166 350 F HN 0.445 nan 8.300 nan 0.000 0.436 351 S N 1.682 117.550 115.700 0.279 0.000 2.619 351 S HA 0.556 5.024 4.470 -0.002 0.000 0.280 351 S C 0.332 175.038 174.600 0.176 0.000 1.150 351 S CA 0.088 58.397 58.200 0.181 0.000 0.978 351 S CB 1.258 64.530 63.200 0.120 0.000 1.041 351 S HN 1.418 nan 8.310 nan 0.000 0.485 352 G N 3.890 112.773 108.800 0.139 0.000 2.166 352 G HA2 -0.271 3.688 3.960 -0.002 0.000 0.260 352 G HA3 -0.271 3.688 3.960 -0.002 0.000 0.260 352 G C -0.175 174.820 174.900 0.157 0.000 0.986 352 G CA 0.566 45.741 45.100 0.125 0.000 0.683 352 G HN 0.797 nan 8.290 nan 0.000 0.527 353 N N 0.360 119.190 118.700 0.218 0.000 2.508 353 N HA 0.564 5.303 4.740 -0.002 0.000 0.264 353 N C 0.244 175.883 175.510 0.215 0.000 1.216 353 N CA 0.649 53.867 53.050 0.280 0.000 0.943 353 N CB 1.090 39.884 38.487 0.513 0.000 1.113 353 N HN 0.807 nan 8.380 nan 0.000 0.447 354 A N 2.003 124.938 122.820 0.191 0.000 3.277 354 A HA 0.313 4.631 4.320 -0.002 0.000 0.281 354 A C -0.808 176.844 177.584 0.114 0.000 1.179 354 A CA -0.497 51.624 52.037 0.141 0.000 0.879 354 A CB -0.182 18.874 19.000 0.093 0.000 1.374 354 A HN 0.575 nan 8.150 nan 0.000 0.590 355 I N 2.381 123.043 120.570 0.154 0.000 2.331 355 I HA 0.538 4.707 4.170 -0.002 0.000 0.292 355 I C 0.600 176.764 176.117 0.078 0.000 0.998 355 I CA -0.124 61.210 61.300 0.057 0.000 1.267 355 I CB 1.930 39.879 38.000 -0.084 0.000 1.386 355 I HN 0.607 nan 8.210 nan 0.000 0.476 356 T N 0.757 115.331 114.554 0.035 0.000 2.865 356 T HA 0.764 5.113 4.350 -0.002 0.000 0.294 356 T C 0.433 175.143 174.700 0.017 0.000 1.119 356 T CA -0.042 62.082 62.100 0.040 0.000 1.007 356 T CB 2.076 70.967 68.868 0.038 0.000 1.225 356 T HN 0.903 nan 8.240 nan 0.000 0.515 357 G N -0.122 108.690 108.800 0.020 0.000 2.307 357 G HA2 0.043 4.002 3.960 -0.002 0.000 0.210 357 G HA3 0.043 4.002 3.960 -0.002 0.000 0.210 357 G C 0.644 175.549 174.900 0.008 0.000 1.005 357 G CA 0.081 45.187 45.100 0.009 0.000 0.634 357 G HN 1.481 nan 8.290 nan 0.000 0.496 358 G N 0.597 109.407 108.800 0.016 0.000 2.305 358 G HA2 0.512 4.470 3.960 -0.002 0.000 0.243 358 G HA3 0.512 4.470 3.960 -0.002 0.000 0.243 358 G C 1.132 176.044 174.900 0.020 0.000 1.288 358 G CA 0.578 45.689 45.100 0.019 0.000 0.901 358 G HN 1.298 nan 8.290 nan 0.000 0.516 359 G N 0.975 109.780 108.800 0.009 0.000 2.939 359 G HA2 0.156 4.115 3.960 -0.002 0.000 0.210 359 G HA3 0.156 4.115 3.960 -0.002 0.000 0.210 359 G C 0.695 175.604 174.900 0.014 0.000 1.160 359 G CA 0.009 45.114 45.100 0.008 0.000 0.770 359 G HN 0.622 nan 8.290 nan 0.000 0.543 360 K N 0.997 121.411 120.400 0.024 0.000 2.292 360 K HA 0.446 4.765 4.320 -0.002 0.000 0.257 360 K C -0.341 176.298 176.600 0.064 0.000 0.940 360 K CA -0.502 55.806 56.287 0.036 0.000 0.811 360 K CB 1.153 33.670 32.500 0.028 0.000 1.120 360 K HN -0.063 nan 8.250 nan 0.000 0.428 361 T N 2.467 117.059 114.554 0.063 0.000 2.905 361 T HA -0.001 4.348 4.350 -0.002 0.000 0.299 361 T C 0.009 174.778 174.700 0.116 0.000 1.024 361 T CA 0.210 62.354 62.100 0.074 0.000 1.151 361 T CB 0.491 69.392 68.868 0.056 0.000 0.987 361 T HN 0.592 nan 8.240 nan 0.000 0.535 362 S N 2.222 118.000 115.700 0.131 0.000 2.576 362 S HA 0.320 4.789 4.470 -0.002 0.000 0.272 362 S C 0.485 175.178 174.600 0.156 0.000 1.352 362 S CA -0.623 57.691 58.200 0.189 0.000 1.021 362 S CB 0.790 64.121 63.200 0.218 0.000 0.887 362 S HN 0.749 nan 8.310 nan 0.000 0.542 363 S N 0.899 116.718 115.700 0.200 0.000 2.733 363 S HA 0.644 5.113 4.470 -0.002 0.000 0.294 363 S C -0.892 173.674 174.600 -0.057 0.000 1.149 363 S CA -0.676 57.585 58.200 0.101 0.000 1.034 363 S CB -0.377 62.951 63.200 0.213 0.000 1.015 363 S HN 0.867 nan 8.310 nan 0.000 0.486 364 c N 3.744 122.289 118.600 -0.091 0.000 3.288 364 c HA 0.638 5.207 4.570 -0.002 0.000 0.318 364 c C 0.258 174.281 174.090 -0.113 0.000 1.356 364 c CA -0.967 55.268 56.329 -0.157 0.000 1.359 364 c CB 1.518 43.959 42.510 -0.115 0.000 1.688 364 c HN 0.911 nan 8.230 nan 0.000 0.467 365 N N -0.767 117.874 118.700 -0.098 0.000 2.291 365 N HA 0.242 4.980 4.740 -0.002 0.000 0.244 365 N C -0.818 174.709 175.510 0.028 0.000 1.216 365 N CA -0.018 53.002 53.050 -0.050 0.000 0.879 365 N CB 0.345 38.802 38.487 -0.051 0.000 1.167 365 N HN 0.865 nan 8.380 nan 0.000 0.515 366 Y N -0.140 120.064 120.300 -0.161 0.000 2.521 366 Y HA 0.403 4.953 4.550 0.001 0.000 0.328 366 Y C -2.337 173.477 175.900 -0.143 0.000 1.151 366 Y CA -1.384 56.593 58.100 -0.205 0.000 1.054 366 Y CB 1.870 40.123 38.460 -0.345 0.000 1.338 366 Y HN -0.219 nan 8.280 nan 0.000 0.453 367 P HA 0.004 nan 4.420 nan 0.000 0.221 367 P C 0.220 177.098 177.300 -0.703 0.000 1.150 367 P CA 1.680 63.821 63.100 -1.598 0.000 0.800 367 P CB 0.291 31.378 31.700 -1.021 0.000 0.787 368 T N -2.941 111.390 114.554 -0.372 0.000 2.644 368 T HA 0.216 4.565 4.350 -0.002 0.000 0.253 368 T C 0.691 175.299 174.700 -0.155 0.000 0.910 368 T CA -0.491 61.478 62.100 -0.218 0.000 1.066 368 T CB 0.049 68.806 68.868 -0.186 0.000 1.484 368 T HN 0.042 nan 8.240 nan 0.000 0.560 369 N N -0.032 118.596 118.700 -0.120 0.000 2.313 369 N HA 0.195 4.934 4.740 -0.002 0.000 0.207 369 N C 0.144 175.589 175.510 -0.109 0.000 1.141 369 N CA -0.421 52.572 53.050 -0.095 0.000 0.830 369 N CB 0.082 38.529 38.487 -0.066 0.000 1.008 369 N HN 0.778 nan 8.380 nan 0.000 0.481 370 T N -2.141 112.322 114.554 -0.151 0.000 2.885 370 T HA 0.620 4.969 4.350 -0.002 0.000 0.285 370 T C -0.206 174.333 174.700 -0.268 0.000 1.019 370 T CA -0.774 61.220 62.100 -0.176 0.000 1.010 370 T CB 1.487 70.254 68.868 -0.169 0.000 1.022 370 T HN 0.142 nan 8.240 nan 0.000 0.466 371 c N 2.349 120.773 118.600 -0.293 0.000 2.668 371 c HA 0.620 5.189 4.570 -0.002 0.000 0.355 371 c C -1.249 172.479 174.090 -0.603 0.000 1.277 371 c CA -1.449 54.584 56.329 -0.492 0.000 1.787 371 c CB 1.153 43.461 42.510 -0.337 0.000 2.233 371 c HN 0.698 nan 8.230 nan 0.000 0.495 372 P HA -0.007 nan 4.420 nan 0.000 0.227 372 P C 0.411 177.466 177.300 -0.409 0.000 1.145 372 P CA 1.373 63.961 63.100 -0.853 0.000 0.769 372 P CB -0.056 30.863 31.700 -1.302 0.000 0.769 373 S N 0.000 115.519 115.700 -0.301 0.000 2.498 373 S HA 0.000 4.469 4.470 -0.002 0.000 0.327 373 S CA 0.000 58.169 58.200 -0.052 0.000 1.107 373 S CB 0.000 63.160 63.200 -0.066 0.000 0.593 373 S HN 0.000 nan 8.310 nan 0.000 0.517