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 3aeq_1_C DATA FIRST_RESID 7 DATA SEQUENCE TFGCTDSPVR RERGQKAVFC GLTSIVWLHR KMQDAFFLVV GSRTCAHLLQ DATA SEQUENCE AAAGVMIFAE PRFGTAVLEE QDLAGLADAH KELDREVAKL LERRPDIRQL DATA SEQUENCE FLVGSCPSEV LKLDLDRAAE RLSGLHAPHV RVYSYTGSGL DTTFTQGEDT DATA SEQUENCE CLAAMVPTLD TTEAAELIVV GALPDVVEDQ CLSLLTQLGV GPVRMLPARR DATA SEQUENCE SDIEPAVGPN TRFILAQPFL GETTGALERR GAKRIAAPFP FGEEGTTLWL DATA SEQUENCE KAVADAYGVS AEKFEAVTAA PRARAKKAIA AHLETLTGKS LFMFPDSQLE DATA SEQUENCE IPLARFLARE CGMKTTEIAT PFLHKAIMAP DLALLPSNTA LTEGQDLEAQ DATA SEQUENCE LDRHEAINPD LTVCGLGLAN PLEAKGHATK WAIELVFTPV HFYEQAGDLA DATA SEQUENCE GLFSRPLRRR ALLN 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 7 T HA 0.000 nan 4.350 nan 0.000 0.228 7 T C 0.000 174.428 174.700 -0.454 0.000 1.109 7 T CA 0.000 61.931 62.100 -0.281 0.000 1.349 7 T CB 0.000 68.689 68.868 -0.298 0.000 0.612 8 F N 1.655 121.597 119.950 -0.013 0.000 2.499 8 F HA 0.761 5.288 4.527 -0.000 0.000 0.333 8 F C 0.523 176.316 175.800 -0.011 0.000 1.138 8 F CA 0.078 58.070 58.000 -0.013 0.000 0.945 8 F CB 2.209 41.203 39.000 -0.010 0.000 1.181 8 F HN 0.502 nan 8.300 nan 0.000 0.435 9 G N 1.492 110.397 108.800 0.175 0.000 2.026 9 G HA2 0.166 4.126 3.960 -0.000 0.000 0.208 9 G HA3 0.166 4.126 3.960 -0.000 0.000 0.208 9 G C -0.908 174.024 174.900 0.053 0.000 1.640 9 G CA -0.887 44.271 45.100 0.097 0.000 0.946 9 G HN 0.717 nan 8.290 nan 0.000 0.709 10 C N 2.448 121.774 119.300 0.044 0.000 3.115 10 C HA 0.283 4.743 4.460 -0.000 0.000 0.277 10 C C 2.418 177.416 174.990 0.013 0.000 1.460 10 C CA 0.683 59.714 59.018 0.022 0.000 1.789 10 C CB -0.934 26.818 27.740 0.020 0.000 2.674 10 C HN 0.884 nan 8.230 nan 0.000 0.582 11 T N -0.621 113.942 114.554 0.015 0.000 2.788 11 T HA -0.139 4.211 4.350 -0.000 0.000 0.268 11 T C 0.895 175.596 174.700 0.001 0.000 1.044 11 T CA 1.442 63.547 62.100 0.008 0.000 1.139 11 T CB -0.112 68.761 68.868 0.008 0.000 0.867 11 T HN 0.437 nan 8.240 nan 0.000 0.454 12 D N 1.356 121.757 120.400 0.001 0.000 2.358 12 D HA 0.230 4.870 4.640 -0.000 0.000 0.224 12 D C -0.042 176.254 176.300 -0.007 0.000 1.123 12 D CA 0.042 54.039 54.000 -0.004 0.000 0.833 12 D CB 0.122 40.921 40.800 -0.003 0.000 0.946 12 D HN 0.218 nan 8.370 nan 0.000 0.505 13 S N 2.545 118.240 115.700 -0.008 0.000 2.533 13 S HA 0.165 4.635 4.470 -0.000 0.000 0.282 13 S C -2.050 172.540 174.600 -0.016 0.000 1.304 13 S CA -0.864 57.328 58.200 -0.013 0.000 1.063 13 S CB 0.883 64.074 63.200 -0.016 0.000 0.881 13 S HN 0.148 nan 8.310 nan 0.000 0.493 14 P HA 0.168 nan 4.420 nan 0.000 0.276 14 P C -0.803 176.485 177.300 -0.020 0.000 1.235 14 P CA -0.314 62.777 63.100 -0.015 0.000 0.772 14 P CB 0.736 32.429 31.700 -0.012 0.000 0.871 15 V N 4.775 124.676 119.914 -0.021 0.000 2.347 15 V HA 0.290 4.409 4.120 -0.000 0.000 0.280 15 V C 0.459 176.543 176.094 -0.016 0.000 1.021 15 V CA -1.120 61.165 62.300 -0.025 0.000 0.847 15 V CB 0.820 32.623 31.823 -0.033 0.000 0.990 15 V HN 0.537 nan 8.190 nan 0.000 0.444 16 R N 6.852 127.343 120.500 -0.016 0.000 2.446 16 R HA 0.182 4.522 4.340 -0.000 0.000 0.325 16 R C -0.160 176.143 176.300 0.005 0.000 0.997 16 R CA -0.015 56.082 56.100 -0.004 0.000 1.010 16 R CB 0.174 30.471 30.300 -0.006 0.000 0.946 16 R HN 0.743 nan 8.270 nan 0.000 0.422 17 R N 3.770 124.278 120.500 0.014 0.000 2.312 17 R HA 0.214 4.554 4.340 -0.000 0.000 0.311 17 R C -0.492 175.828 176.300 0.035 0.000 1.004 17 R CA -0.424 55.693 56.100 0.028 0.000 0.902 17 R CB 1.461 31.780 30.300 0.032 0.000 1.073 17 R HN 0.605 nan 8.270 nan 0.000 0.457 18 E N 2.977 123.205 120.200 0.045 0.000 2.404 18 E HA 0.088 4.438 4.350 -0.000 0.000 0.298 18 E C -1.120 175.513 176.600 0.055 0.000 0.908 18 E CA -0.465 55.963 56.400 0.046 0.000 0.808 18 E CB 1.453 31.181 29.700 0.046 0.000 1.380 18 E HN 0.591 nan 8.360 nan 0.000 0.392 19 R N 2.510 123.040 120.500 0.050 0.000 2.607 19 R HA 0.892 5.232 4.340 -0.000 0.000 0.261 19 R C 0.205 176.531 176.300 0.044 0.000 1.051 19 R CA 0.346 56.476 56.100 0.050 0.000 1.110 19 R CB 1.564 31.892 30.300 0.046 0.000 1.158 19 R HN 0.505 nan 8.270 nan 0.000 0.543 20 G N 0.245 109.068 108.800 0.040 0.000 2.373 20 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.250 20 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.250 20 G C -1.628 173.288 174.900 0.027 0.000 1.304 20 G CA -0.790 44.330 45.100 0.033 0.000 0.948 20 G HN 0.654 nan 8.290 nan 0.000 0.474 21 Q N 0.587 120.400 119.800 0.022 0.000 2.332 21 Q HA 0.457 4.797 4.340 -0.000 0.000 0.263 21 Q C -0.713 175.293 176.000 0.010 0.000 0.979 21 Q CA 0.474 56.282 55.803 0.009 0.000 0.885 21 Q CB 0.383 29.121 28.738 0.001 0.000 1.218 21 Q HN 0.351 nan 8.270 nan 0.000 0.405 22 K N 2.104 122.501 120.400 -0.005 0.000 2.578 22 K HA 0.397 4.717 4.320 -0.000 0.000 0.250 22 K C -1.430 175.138 176.600 -0.054 0.000 0.955 22 K CA -0.472 55.810 56.287 -0.008 0.000 0.825 22 K CB 1.861 34.369 32.500 0.013 0.000 1.151 22 K HN 0.607 nan 8.250 nan 0.000 0.432 23 A N 3.463 126.233 122.820 -0.084 0.000 2.798 23 A HA 0.429 4.749 4.320 -0.000 0.000 0.316 23 A C -0.038 177.429 177.584 -0.195 0.000 1.506 23 A CA -0.394 51.544 52.037 -0.165 0.000 1.162 23 A CB -0.472 18.406 19.000 -0.203 0.000 1.138 23 A HN 0.477 nan 8.150 nan 0.000 0.532 24 V N -1.302 118.489 119.914 -0.205 0.000 3.181 24 V HA 0.860 4.980 4.120 -0.000 0.000 0.308 24 V C -0.989 174.956 176.094 -0.248 0.000 1.214 24 V CA -1.278 60.908 62.300 -0.190 0.000 1.053 24 V CB 1.468 33.285 31.823 -0.011 0.000 1.069 24 V HN 0.373 nan 8.190 nan 0.000 0.441 25 F N 1.530 121.456 119.950 -0.040 0.000 2.397 25 F HA 0.735 5.262 4.527 -0.000 0.000 0.331 25 F C 1.065 176.913 175.800 0.079 0.000 1.090 25 F CA -0.436 57.562 58.000 -0.003 0.000 1.065 25 F CB 1.134 40.108 39.000 -0.044 0.000 1.184 25 F HN 1.027 nan 8.300 nan 0.000 0.499 26 C N 0.459 119.935 119.300 0.293 0.000 2.580 26 C HA 0.529 4.989 4.460 -0.000 0.000 0.371 26 C C 1.841 176.929 174.990 0.164 0.000 1.308 26 C CA -0.263 58.861 59.018 0.176 0.000 2.428 26 C CB 0.272 28.076 27.740 0.107 0.000 2.529 26 C HN 1.045 nan 8.230 nan 0.000 0.657 27 G N 0.313 109.170 108.800 0.096 0.000 2.450 27 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.220 27 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.220 27 G C 1.207 176.079 174.900 -0.047 0.000 1.130 27 G CA 0.999 46.120 45.100 0.036 0.000 0.760 27 G HN 0.735 nan 8.290 nan 0.000 0.557 28 L N 1.675 122.872 121.223 -0.043 0.000 2.058 28 L HA -0.275 4.065 4.340 -0.000 0.000 0.226 28 L C 3.362 180.091 176.870 -0.235 0.000 1.089 28 L CA 2.628 57.395 54.840 -0.123 0.000 0.799 28 L CB -1.441 40.570 42.059 -0.079 0.000 0.900 28 L HN 0.517 nan 8.230 nan 0.000 0.442 29 T N -3.644 110.810 114.554 -0.167 0.000 2.778 29 T HA -0.259 4.091 4.350 -0.000 0.000 0.269 29 T C 2.011 176.415 174.700 -0.493 0.000 1.050 29 T CA 1.625 63.590 62.100 -0.225 0.000 1.137 29 T CB -1.035 67.813 68.868 -0.034 0.000 0.860 29 T HN 0.531 nan 8.240 nan 0.000 0.468 30 S N 2.089 117.353 115.700 -0.727 0.000 2.402 30 S HA -0.141 4.329 4.470 -0.000 0.000 0.233 30 S C 1.984 175.674 174.600 -1.517 0.000 1.030 30 S CA 1.244 58.470 58.200 -1.624 0.000 1.003 30 S CB -1.116 61.440 63.200 -1.074 0.000 0.813 30 S HN 0.621 nan 8.310 nan 0.000 0.477 31 I N 1.307 121.291 120.570 -0.977 0.000 2.194 31 I HA -0.168 4.002 4.170 -0.000 0.000 0.246 31 I C 2.415 178.037 176.117 -0.825 0.000 1.093 31 I CA 1.190 61.851 61.300 -1.065 0.000 1.355 31 I CB -0.531 36.923 38.000 -0.911 0.000 1.046 31 I HN 0.223 nan 8.210 nan 0.000 0.413 32 V N 0.410 119.954 119.914 -0.617 0.000 2.546 32 V HA -0.255 3.865 4.120 -0.000 0.000 0.254 32 V C 1.911 178.079 176.094 0.123 0.000 1.076 32 V CA 2.412 64.610 62.300 -0.170 0.000 1.087 32 V CB -0.696 31.124 31.823 -0.005 0.000 0.674 32 V HN 0.811 nan 8.190 nan 0.000 0.470 33 W N -2.539 118.649 121.300 -0.187 0.000 2.871 33 W HA 0.340 5.000 4.660 -0.000 0.000 0.267 33 W C 1.521 177.802 176.519 -0.396 0.000 1.180 33 W CA -0.167 56.969 57.345 -0.348 0.000 1.463 33 W CB -0.807 28.232 29.460 -0.701 0.000 0.966 33 W HN 0.032 nan 8.180 nan 0.000 0.605 34 L N 2.363 123.092 121.223 -0.824 0.000 2.042 34 L HA -0.177 4.163 4.340 -0.000 0.000 0.210 34 L C 2.925 179.603 176.870 -0.319 0.000 1.076 34 L CA 2.655 57.145 54.840 -0.583 0.000 0.749 34 L CB -1.495 40.034 42.059 -0.883 0.000 0.893 34 L HN 0.492 nan 8.230 nan 0.000 0.432 35 H N -2.007 116.809 119.070 -0.424 0.000 2.489 35 H HA -0.065 4.491 4.556 -0.000 0.000 0.293 35 H C 2.203 177.593 175.328 0.103 0.000 1.066 35 H CA 1.368 57.417 56.048 0.001 0.000 1.305 35 H CB -0.275 29.492 29.762 0.009 0.000 1.386 35 H HN 0.255 nan 8.280 nan 0.000 0.551 36 R N 0.020 120.116 120.500 -0.673 0.000 2.066 36 R HA -0.078 4.261 4.340 -0.000 0.000 0.232 36 R C 2.171 178.421 176.300 -0.083 0.000 1.131 36 R CA 1.559 57.443 56.100 -0.360 0.000 0.955 36 R CB -0.086 30.041 30.300 -0.287 0.000 0.851 36 R HN 0.275 nan 8.270 nan 0.000 0.432 37 K N 0.834 121.202 120.400 -0.052 0.000 2.031 37 K HA -0.006 4.314 4.320 -0.000 0.000 0.205 37 K C 0.553 177.179 176.600 0.043 0.000 1.049 37 K CA 1.191 57.480 56.287 0.005 0.000 0.939 37 K CB 0.099 32.607 32.500 0.013 0.000 0.717 37 K HN -0.027 nan 8.250 nan 0.000 0.438 38 M N 2.004 121.653 119.600 0.082 0.000 2.108 38 M HA 0.119 4.599 4.480 -0.000 0.000 0.347 38 M C 0.424 176.828 176.300 0.172 0.000 1.326 38 M CA 0.089 55.470 55.300 0.135 0.000 1.126 38 M CB 1.350 34.062 32.600 0.187 0.000 1.606 38 M HN 0.127 nan 8.290 nan 0.000 0.462 39 Q N 1.088 120.966 119.800 0.131 0.000 2.297 39 Q HA -0.073 4.267 4.340 -0.000 0.000 0.203 39 Q C 0.332 176.416 176.000 0.140 0.000 0.931 39 Q CA 0.827 56.709 55.803 0.131 0.000 0.885 39 Q CB 0.472 29.267 28.738 0.093 0.000 0.991 39 Q HN 0.769 nan 8.270 nan 0.000 0.498 40 D N -0.602 119.872 120.400 0.123 0.000 2.463 40 D HA 0.250 4.890 4.640 -0.000 0.000 0.224 40 D C -0.247 176.126 176.300 0.121 0.000 1.174 40 D CA -0.223 53.841 54.000 0.107 0.000 0.829 40 D CB 0.201 41.040 40.800 0.065 0.000 0.993 40 D HN 0.080 nan 8.370 nan 0.000 0.497 41 A N 0.038 122.959 122.820 0.169 0.000 2.281 41 A HA 0.724 5.044 4.320 -0.000 0.000 0.329 41 A C -1.183 176.529 177.584 0.214 0.000 1.122 41 A CA -0.726 51.407 52.037 0.161 0.000 0.850 41 A CB 1.090 20.180 19.000 0.149 0.000 1.207 41 A HN 0.203 nan 8.150 nan 0.000 0.495 42 F N 0.255 120.173 119.950 -0.053 0.000 2.588 42 F HA 0.654 5.181 4.527 -0.000 0.000 0.314 42 F C -1.925 173.843 175.800 -0.053 0.000 1.134 42 F CA -1.151 56.877 58.000 0.046 0.000 0.961 42 F CB 1.560 40.591 39.000 0.051 0.000 1.239 42 F HN 0.407 nan 8.300 nan 0.000 0.448 43 F N 7.329 127.209 119.950 -0.118 0.000 2.347 43 F HA 0.507 5.034 4.527 -0.000 0.000 0.366 43 F C -0.770 175.083 175.800 0.087 0.000 1.107 43 F CA -0.915 57.136 58.000 0.084 0.000 1.058 43 F CB 1.348 40.330 39.000 -0.030 0.000 1.236 43 F HN 0.268 nan 8.300 nan 0.000 0.456 44 L N 5.160 126.642 121.223 0.431 0.000 2.276 44 L HA 0.613 4.953 4.340 -0.000 0.000 0.286 44 L C -0.801 176.189 176.870 0.200 0.000 1.024 44 L CA -0.569 54.499 54.840 0.380 0.000 0.826 44 L CB 1.027 43.310 42.059 0.373 0.000 1.211 44 L HN 0.320 nan 8.230 nan 0.000 0.422 45 V N 6.061 126.062 119.914 0.144 0.000 2.530 45 V HA 0.270 4.390 4.120 -0.000 0.000 0.282 45 V C -0.024 176.105 176.094 0.059 0.000 1.048 45 V CA -0.517 61.817 62.300 0.058 0.000 0.997 45 V CB 1.578 33.416 31.823 0.025 0.000 0.987 45 V HN 0.510 nan 8.190 nan 0.000 0.477 46 V N 5.476 125.408 119.914 0.031 0.000 2.334 46 V HA 0.819 4.939 4.120 -0.000 0.000 0.267 46 V C 0.663 176.765 176.094 0.014 0.000 1.040 46 V CA 0.505 62.821 62.300 0.027 0.000 0.866 46 V CB 0.402 32.239 31.823 0.023 0.000 1.019 46 V HN 1.086 nan 8.190 nan 0.000 0.468 47 G N 3.283 112.094 108.800 0.019 0.000 2.634 47 G HA2 0.609 4.568 3.960 -0.000 0.000 0.309 47 G HA3 0.609 4.568 3.960 -0.000 0.000 0.309 47 G C -0.528 174.383 174.900 0.018 0.000 1.299 47 G CA 0.117 45.226 45.100 0.015 0.000 0.798 47 G HN 0.737 nan 8.290 nan 0.000 0.490 48 S N -1.023 114.689 115.700 0.019 0.000 2.713 48 S HA 0.362 4.832 4.470 -0.000 0.000 0.277 48 S C 1.549 176.165 174.600 0.027 0.000 1.168 48 S CA 0.320 58.531 58.200 0.018 0.000 0.994 48 S CB 1.695 64.904 63.200 0.014 0.000 1.054 48 S HN 0.896 nan 8.310 nan 0.000 0.555 49 R N -0.083 120.428 120.500 0.019 0.000 2.117 49 R HA -0.114 4.226 4.340 -0.000 0.000 0.243 49 R C 1.928 178.257 176.300 0.048 0.000 1.143 49 R CA 2.175 58.287 56.100 0.021 0.000 0.968 49 R CB -1.312 28.982 30.300 -0.010 0.000 0.863 49 R HN 0.812 nan 8.270 nan 0.000 0.444 50 T N 0.037 114.619 114.554 0.048 0.000 2.665 50 T HA -0.212 4.138 4.350 -0.000 0.000 0.268 50 T C 1.957 176.722 174.700 0.109 0.000 1.035 50 T CA 1.645 63.798 62.100 0.088 0.000 1.151 50 T CB -0.375 68.530 68.868 0.061 0.000 0.862 50 T HN 0.477 nan 8.240 nan 0.000 0.438 51 C N 1.758 121.099 119.300 0.068 0.000 2.440 51 C HA 0.206 4.666 4.460 -0.000 0.000 0.278 51 C C 3.200 178.224 174.990 0.057 0.000 1.295 51 C CA -0.075 58.973 59.018 0.050 0.000 1.738 51 C CB -1.586 26.172 27.740 0.029 0.000 1.987 51 C HN 0.628 nan 8.230 nan 0.000 0.492 52 A N 0.071 122.938 122.820 0.078 0.000 1.877 52 A HA -0.257 4.063 4.320 -0.000 0.000 0.216 52 A C 2.120 179.778 177.584 0.124 0.000 1.186 52 A CA 1.897 53.990 52.037 0.094 0.000 0.620 52 A CB -1.255 17.797 19.000 0.085 0.000 0.822 52 A HN 0.810 nan 8.150 nan 0.000 0.443 53 H N -0.733 118.347 119.070 0.016 0.000 2.352 53 H HA -0.142 4.414 4.556 -0.000 0.000 0.299 53 H C 2.107 177.442 175.328 0.012 0.000 1.097 53 H CA 1.625 57.681 56.048 0.013 0.000 1.311 53 H CB -0.037 29.733 29.762 0.014 0.000 1.377 53 H HN 0.472 nan 8.280 nan 0.000 0.504 54 L N 0.520 121.749 121.223 0.010 0.000 1.976 54 L HA -0.181 4.159 4.340 -0.000 0.000 0.209 54 L C 2.411 179.226 176.870 -0.092 0.000 1.071 54 L CA 1.267 56.075 54.840 -0.054 0.000 0.746 54 L CB -0.471 41.598 42.059 0.016 0.000 0.890 54 L HN 0.208 nan 8.230 nan 0.000 0.432 55 L N -0.084 121.091 121.223 -0.080 0.000 2.051 55 L HA -0.306 4.034 4.340 -0.000 0.000 0.214 55 L C 2.831 179.669 176.870 -0.054 0.000 1.076 55 L CA 2.167 56.924 54.840 -0.137 0.000 0.758 55 L CB -0.757 41.216 42.059 -0.143 0.000 0.890 55 L HN 0.574 nan 8.230 nan 0.000 0.433 56 Q N -0.084 119.711 119.800 -0.009 0.000 2.079 56 Q HA -0.183 4.157 4.340 -0.000 0.000 0.200 56 Q C 2.178 178.123 176.000 -0.090 0.000 0.974 56 Q CA 1.756 57.546 55.803 -0.022 0.000 0.840 56 Q CB -0.236 28.508 28.738 0.009 0.000 0.898 56 Q HN 0.407 nan 8.270 nan 0.000 0.430 57 A N 1.129 123.863 122.820 -0.145 0.000 1.872 57 A HA 0.113 4.433 4.320 -0.000 0.000 0.214 57 A C 2.433 179.947 177.584 -0.118 0.000 1.187 57 A CA 1.373 53.318 52.037 -0.154 0.000 0.614 57 A CB -1.181 17.676 19.000 -0.239 0.000 0.826 57 A HN 0.586 nan 8.150 nan 0.000 0.442 58 A N 0.231 122.973 122.820 -0.130 0.000 1.873 58 A HA 0.045 4.365 4.320 -0.000 0.000 0.218 58 A C 2.539 180.053 177.584 -0.117 0.000 1.193 58 A CA 2.587 54.533 52.037 -0.152 0.000 0.629 58 A CB -1.268 17.606 19.000 -0.210 0.000 0.826 58 A HN 1.192 nan 8.150 nan 0.000 0.447 59 A N -1.713 121.060 122.820 -0.079 0.000 1.948 59 A HA 0.269 4.589 4.320 -0.000 0.000 0.220 59 A C 2.347 179.916 177.584 -0.025 0.000 1.177 59 A CA 2.114 54.151 52.037 0.001 0.000 0.636 59 A CB -1.390 17.693 19.000 0.137 0.000 0.815 59 A HN 2.219 nan 8.150 nan 0.000 0.449 60 G N -1.679 107.087 108.800 -0.057 0.000 2.536 60 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.280 60 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.280 60 G C 1.201 176.107 174.900 0.010 0.000 1.152 60 G CA 1.764 46.846 45.100 -0.030 0.000 0.970 60 G HN 1.589 nan 8.290 nan 0.000 0.549 61 V N -0.923 119.065 119.914 0.122 0.000 2.913 61 V HA 0.150 4.270 4.120 -0.000 0.000 0.260 61 V C 2.730 178.944 176.094 0.199 0.000 1.098 61 V CA 2.733 65.221 62.300 0.313 0.000 1.121 61 V CB -0.618 31.369 31.823 0.272 0.000 0.714 61 V HN 0.669 nan 8.190 nan 0.000 0.487 62 M N -0.172 119.486 119.600 0.095 0.000 2.144 62 M HA -0.161 4.319 4.480 -0.000 0.000 0.260 62 M C 2.060 178.361 176.300 0.002 0.000 1.067 62 M CA 2.228 57.597 55.300 0.115 0.000 1.095 62 M CB -0.313 32.407 32.600 0.201 0.000 1.365 62 M HN 0.443 nan 8.290 nan 0.000 0.406 63 I N 0.087 120.558 120.570 -0.166 0.000 2.300 63 I HA -0.322 3.848 4.170 -0.000 0.000 0.252 63 I C 1.288 177.154 176.117 -0.419 0.000 1.119 63 I CA 1.810 62.881 61.300 -0.382 0.000 1.384 63 I CB -0.209 37.463 38.000 -0.546 0.000 1.062 63 I HN 0.222 nan 8.210 nan 0.000 0.426 64 F N 0.056 120.001 119.950 -0.008 0.000 2.710 64 F HA 0.227 4.754 4.527 -0.000 0.000 0.298 64 F C 2.113 177.907 175.800 -0.010 0.000 1.137 64 F CA 0.546 58.540 58.000 -0.010 0.000 1.444 64 F CB -0.877 38.125 39.000 0.003 0.000 1.111 64 F HN 0.021 nan 8.300 nan 0.000 0.580 65 A N 0.132 123.020 122.820 0.113 0.000 2.412 65 A HA 0.164 4.484 4.320 -0.000 0.000 0.253 65 A C 0.620 178.222 177.584 0.029 0.000 1.334 65 A CA -0.176 51.916 52.037 0.091 0.000 0.929 65 A CB -1.276 17.792 19.000 0.113 0.000 0.983 65 A HN 0.423 nan 8.150 nan 0.000 0.508 66 E N 0.138 120.328 120.200 -0.017 0.000 2.149 66 E HA -0.168 4.182 4.350 -0.000 0.000 0.191 66 E C -1.966 174.571 176.600 -0.105 0.000 1.384 66 E CA 0.387 56.753 56.400 -0.058 0.000 0.698 66 E CB -1.172 28.530 29.700 0.003 0.000 1.086 66 E HN 0.682 nan 8.360 nan 0.000 0.338 67 P HA 0.072 nan 4.420 nan 0.000 0.279 67 P C -0.347 176.716 177.300 -0.395 0.000 1.282 67 P CA -0.188 62.707 63.100 -0.343 0.000 0.788 67 P CB 0.632 31.936 31.700 -0.659 0.000 1.139 68 R N 0.346 120.679 120.500 -0.279 0.000 4.141 68 R HA 0.362 4.702 4.340 -0.000 0.000 0.281 68 R C -0.406 175.416 176.300 -0.796 0.000 1.608 68 R CA -0.103 55.859 56.100 -0.229 0.000 1.426 68 R CB -0.884 29.512 30.300 0.160 0.000 1.432 68 R HN 0.485 nan 8.270 nan 0.000 0.708 69 F N -3.064 116.300 119.950 -0.977 0.000 2.693 69 F HA 0.818 5.345 4.527 -0.000 0.000 0.309 69 F C -0.431 175.127 175.800 -0.403 0.000 1.129 69 F CA -1.160 56.267 58.000 -0.954 0.000 0.948 69 F CB 1.162 39.871 39.000 -0.485 0.000 1.315 69 F HN 0.018 nan 8.300 nan 0.000 0.447 70 G N -0.037 108.845 108.800 0.138 0.000 2.600 70 G HA2 0.562 4.522 3.960 -0.000 0.000 0.293 70 G HA3 0.562 4.522 3.960 -0.000 0.000 0.293 70 G C -2.115 172.933 174.900 0.246 0.000 1.408 70 G CA -0.930 44.306 45.100 0.227 0.000 0.782 70 G HN 0.744 nan 8.290 nan 0.000 0.482 71 T N 0.501 115.159 114.554 0.173 0.000 2.807 71 T HA 0.613 4.963 4.350 -0.000 0.000 0.279 71 T C 0.177 174.939 174.700 0.103 0.000 0.993 71 T CA 0.160 62.336 62.100 0.127 0.000 0.970 71 T CB 1.561 70.485 68.868 0.093 0.000 0.950 71 T HN 1.114 nan 8.240 nan 0.000 0.441 72 A N 3.297 126.171 122.820 0.090 0.000 2.666 72 A HA 0.508 4.828 4.320 -0.000 0.000 0.312 72 A C 0.560 178.170 177.584 0.043 0.000 1.471 72 A CA -0.551 51.523 52.037 0.062 0.000 1.134 72 A CB -0.479 18.555 19.000 0.056 0.000 1.129 72 A HN 0.778 nan 8.150 nan 0.000 0.539 73 V N 5.167 125.103 119.914 0.038 0.000 2.555 73 V HA 0.304 4.424 4.120 -0.000 0.000 0.286 73 V C 0.034 176.138 176.094 0.016 0.000 1.044 73 V CA -0.678 61.638 62.300 0.027 0.000 1.026 73 V CB 0.273 32.111 31.823 0.027 0.000 0.981 73 V HN 0.587 nan 8.190 nan 0.000 0.480 74 L N 6.369 127.598 121.223 0.010 0.000 2.461 74 L HA 0.445 4.785 4.340 -0.000 0.000 0.272 74 L C 0.658 177.528 176.870 0.000 0.000 1.197 74 L CA 0.583 55.424 54.840 0.002 0.000 0.836 74 L CB 0.261 42.318 42.059 -0.003 0.000 1.105 74 L HN 0.795 nan 8.230 nan 0.000 0.477 75 E N 1.135 121.333 120.200 -0.003 0.000 2.339 75 E HA 0.225 4.575 4.350 -0.000 0.000 0.262 75 E C 0.132 176.728 176.600 -0.006 0.000 0.934 75 E CA -0.749 55.649 56.400 -0.003 0.000 0.802 75 E CB 1.272 30.971 29.700 -0.002 0.000 1.275 75 E HN 0.400 nan 8.360 nan 0.000 0.427 76 E N 1.092 121.289 120.200 -0.005 0.000 2.065 76 E HA -0.306 4.044 4.350 -0.000 0.000 0.201 76 E C 1.940 178.535 176.600 -0.007 0.000 1.016 76 E CA 2.543 58.940 56.400 -0.006 0.000 0.818 76 E CB -0.095 29.602 29.700 -0.005 0.000 0.749 76 E HN 0.553 nan 8.360 nan 0.000 0.453 77 Q N 0.121 119.917 119.800 -0.006 0.000 2.173 77 Q HA -0.235 4.105 4.340 -0.000 0.000 0.208 77 Q C 1.275 177.268 176.000 -0.011 0.000 0.989 77 Q CA 1.854 57.652 55.803 -0.007 0.000 0.872 77 Q CB -0.282 28.453 28.738 -0.005 0.000 0.909 77 Q HN 0.297 nan 8.270 nan 0.000 0.420 78 D N 0.846 121.238 120.400 -0.013 0.000 2.234 78 D HA -0.003 4.637 4.640 -0.000 0.000 0.205 78 D C 2.037 178.320 176.300 -0.028 0.000 0.962 78 D CA 0.620 54.607 54.000 -0.021 0.000 0.855 78 D CB -0.050 40.737 40.800 -0.021 0.000 0.951 78 D HN 0.279 nan 8.370 nan 0.000 0.500 79 L N 0.680 121.891 121.223 -0.020 0.000 2.042 79 L HA -0.098 4.242 4.340 -0.000 0.000 0.210 79 L C 1.281 178.138 176.870 -0.022 0.000 1.076 79 L CA 0.814 55.642 54.840 -0.020 0.000 0.749 79 L CB -0.341 41.710 42.059 -0.013 0.000 0.893 79 L HN -0.062 nan 8.230 nan 0.000 0.432 80 A N -0.511 122.298 122.820 -0.018 0.000 2.324 80 A HA 0.591 4.911 4.320 -0.000 0.000 0.330 80 A C 0.336 177.910 177.584 -0.017 0.000 1.165 80 A CA 0.152 52.180 52.037 -0.015 0.000 0.813 80 A CB 0.968 19.962 19.000 -0.010 0.000 1.197 80 A HN 0.347 nan 8.150 nan 0.000 0.484 81 G N 0.497 109.288 108.800 -0.016 0.000 3.445 81 G HA2 0.046 4.006 3.960 -0.000 0.000 0.680 81 G HA3 0.046 4.006 3.960 -0.000 0.000 0.680 81 G C -0.230 174.655 174.900 -0.025 0.000 0.972 81 G CA -0.213 44.879 45.100 -0.013 0.000 0.798 81 G HN 0.923 nan 8.290 nan 0.000 0.461 82 L N 2.057 123.267 121.223 -0.022 0.000 2.529 82 L HA 0.385 4.725 4.340 -0.000 0.000 0.223 82 L C 2.818 179.677 176.870 -0.018 0.000 1.113 82 L CA 2.099 56.909 54.840 -0.050 0.000 0.861 82 L CB -0.456 41.582 42.059 -0.035 0.000 1.012 82 L HN 1.018 nan 8.230 nan 0.000 0.461 83 A N -1.084 121.751 122.820 0.024 0.000 2.123 83 A HA -0.051 4.269 4.320 -0.000 0.000 0.214 83 A C 1.638 179.253 177.584 0.052 0.000 1.152 83 A CA 1.058 53.132 52.037 0.062 0.000 0.728 83 A CB -0.178 18.850 19.000 0.046 0.000 0.814 83 A HN 0.397 nan 8.150 nan 0.000 0.464 84 D N -0.150 120.261 120.400 0.018 0.000 2.355 84 D HA 0.163 4.803 4.640 -0.000 0.000 0.206 84 D C 2.008 178.309 176.300 0.002 0.000 1.010 84 D CA 0.921 54.930 54.000 0.014 0.000 0.875 84 D CB -0.080 40.722 40.800 0.004 0.000 0.966 84 D HN 0.394 nan 8.370 nan 0.000 0.512 85 A N 1.457 124.253 122.820 -0.040 0.000 1.902 85 A HA -0.207 4.113 4.320 -0.000 0.000 0.217 85 A C 1.969 179.507 177.584 -0.077 0.000 1.181 85 A CA 1.230 53.212 52.037 -0.091 0.000 0.623 85 A CB -0.660 18.235 19.000 -0.174 0.000 0.818 85 A HN 0.188 nan 8.150 nan 0.000 0.443 86 H N -0.143 118.931 119.070 0.007 0.000 2.307 86 H HA -0.011 4.545 4.556 -0.000 0.000 0.303 86 H C 2.024 177.356 175.328 0.007 0.000 1.073 86 H CA 1.683 57.735 56.048 0.007 0.000 1.338 86 H CB -0.286 29.479 29.762 0.005 0.000 1.389 86 H HN 0.501 nan 8.280 nan 0.000 0.503 87 K N 0.426 120.904 120.400 0.130 0.000 2.103 87 K HA -0.195 4.125 4.320 -0.000 0.000 0.207 87 K C 2.189 178.819 176.600 0.050 0.000 1.048 87 K CA 1.624 57.953 56.287 0.070 0.000 0.930 87 K CB 0.072 32.600 32.500 0.048 0.000 0.716 87 K HN 0.212 nan 8.250 nan 0.000 0.444 88 E N 1.416 121.639 120.200 0.040 0.000 2.106 88 E HA -0.150 4.200 4.350 -0.000 0.000 0.192 88 E C 1.845 178.463 176.600 0.031 0.000 0.984 88 E CA 0.815 57.231 56.400 0.026 0.000 0.806 88 E CB -0.222 29.485 29.700 0.013 0.000 0.750 88 E HN 0.240 nan 8.360 nan 0.000 0.458 89 L N 0.546 121.796 121.223 0.045 0.000 1.989 89 L HA -0.229 4.111 4.340 -0.000 0.000 0.211 89 L C 1.572 178.472 176.870 0.050 0.000 1.071 89 L CA 2.120 56.990 54.840 0.050 0.000 0.749 89 L CB -0.420 41.687 42.059 0.080 0.000 0.890 89 L HN 0.199 nan 8.230 nan 0.000 0.431 90 D N -0.370 120.067 120.400 0.062 0.000 2.190 90 D HA -0.213 4.427 4.640 -0.000 0.000 0.200 90 D C 2.254 178.587 176.300 0.055 0.000 0.992 90 D CA 1.108 55.146 54.000 0.064 0.000 0.854 90 D CB -0.208 40.628 40.800 0.059 0.000 0.936 90 D HN 0.372 nan 8.370 nan 0.000 0.462 91 R N 0.489 121.012 120.500 0.038 0.000 2.081 91 R HA -0.086 4.254 4.340 -0.000 0.000 0.235 91 R C 2.058 178.367 176.300 0.014 0.000 1.131 91 R CA 0.764 56.880 56.100 0.026 0.000 0.960 91 R CB -0.161 30.150 30.300 0.019 0.000 0.856 91 R HN 0.191 nan 8.270 nan 0.000 0.436 92 E N 0.559 120.765 120.200 0.011 0.000 2.058 92 E HA -0.142 4.208 4.350 -0.000 0.000 0.194 92 E C 2.198 178.780 176.600 -0.030 0.000 0.997 92 E CA 1.116 57.513 56.400 -0.004 0.000 0.801 92 E CB -0.273 29.431 29.700 0.006 0.000 0.746 92 E HN 0.109 nan 8.360 nan 0.000 0.450 93 V N 1.549 121.447 119.914 -0.027 0.000 2.270 93 V HA -0.239 3.881 4.120 -0.000 0.000 0.245 93 V C 2.493 178.517 176.094 -0.116 0.000 1.043 93 V CA 1.823 64.073 62.300 -0.082 0.000 1.014 93 V CB -1.078 30.708 31.823 -0.062 0.000 0.645 93 V HN 0.255 nan 8.190 nan 0.000 0.447 94 A N -0.065 122.742 122.820 -0.022 0.000 1.903 94 A HA -0.339 3.981 4.320 -0.000 0.000 0.219 94 A C 2.276 179.849 177.584 -0.019 0.000 1.191 94 A CA 2.574 54.632 52.037 0.035 0.000 0.638 94 A CB -0.577 18.500 19.000 0.128 0.000 0.823 94 A HN 0.566 nan 8.150 nan 0.000 0.451 95 K N -0.776 119.608 120.400 -0.027 0.000 2.026 95 K HA -0.064 4.256 4.320 -0.000 0.000 0.208 95 K C 2.045 178.601 176.600 -0.073 0.000 1.048 95 K CA 1.276 57.542 56.287 -0.036 0.000 0.929 95 K CB -0.303 32.181 32.500 -0.026 0.000 0.713 95 K HN 0.426 nan 8.250 nan 0.000 0.439 96 L N 0.927 122.080 121.223 -0.116 0.000 1.994 96 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 96 L C 2.030 178.770 176.870 -0.216 0.000 1.071 96 L CA 1.638 56.362 54.840 -0.193 0.000 0.745 96 L CB -0.593 41.302 42.059 -0.274 0.000 0.892 96 L HN 0.195 nan 8.230 nan 0.000 0.431 97 L N 0.432 121.523 121.223 -0.219 0.000 2.131 97 L HA -0.165 4.175 4.340 -0.000 0.000 0.210 97 L C 2.643 179.451 176.870 -0.102 0.000 1.092 97 L CA 1.578 56.291 54.840 -0.213 0.000 0.759 97 L CB -0.817 41.041 42.059 -0.335 0.000 0.903 97 L HN 0.377 nan 8.230 nan 0.000 0.435 98 E N -0.560 119.599 120.200 -0.068 0.000 2.358 98 E HA -0.136 4.214 4.350 -0.000 0.000 0.195 98 E C 1.646 178.230 176.600 -0.027 0.000 1.010 98 E CA 0.465 56.851 56.400 -0.024 0.000 0.856 98 E CB 0.229 29.925 29.700 -0.006 0.000 0.795 98 E HN 0.440 nan 8.360 nan 0.000 0.504 99 R N 0.011 120.482 120.500 -0.049 0.000 2.397 99 R HA 0.188 4.528 4.340 -0.000 0.000 0.241 99 R C 0.024 176.301 176.300 -0.038 0.000 0.914 99 R CA -0.047 56.030 56.100 -0.039 0.000 1.071 99 R CB 0.649 30.923 30.300 -0.043 0.000 1.116 99 R HN -0.109 nan 8.270 nan 0.000 0.524 100 R N 0.649 121.120 120.500 -0.048 0.000 2.655 100 R HA 0.189 4.529 4.340 -0.000 0.000 0.261 100 R C -2.381 173.928 176.300 0.015 0.000 1.624 100 R CA -1.288 54.796 56.100 -0.026 0.000 1.655 100 R CB 1.108 31.366 30.300 -0.070 0.000 1.356 100 R HN -0.012 nan 8.270 nan 0.000 0.684 101 P HA -0.124 nan 4.420 nan 0.000 0.234 101 P C 0.428 177.846 177.300 0.198 0.000 1.167 101 P CA 0.895 64.089 63.100 0.158 0.000 0.763 101 P CB 0.226 31.977 31.700 0.085 0.000 0.835 102 D N -0.509 119.954 120.400 0.105 0.000 2.348 102 D HA -0.056 4.584 4.640 -0.000 0.000 0.216 102 D C 0.704 177.040 176.300 0.059 0.000 0.970 102 D CA 0.162 54.217 54.000 0.091 0.000 0.889 102 D CB -0.213 40.635 40.800 0.079 0.000 0.912 102 D HN 0.248 nan 8.370 nan 0.000 0.524 103 I N 1.245 121.829 120.570 0.024 0.000 2.353 103 I HA 0.142 4.312 4.170 -0.000 0.000 0.293 103 I C 1.250 177.268 176.117 -0.165 0.000 0.992 103 I CA -0.623 60.667 61.300 -0.016 0.000 1.268 103 I CB 1.574 39.584 38.000 0.017 0.000 1.387 103 I HN -0.284 nan 8.210 nan 0.000 0.478 104 R N 4.005 124.426 120.500 -0.133 0.000 2.316 104 R HA 0.256 4.595 4.340 -0.000 0.000 0.201 104 R C -0.188 176.042 176.300 -0.118 0.000 0.888 104 R CA 0.193 56.169 56.100 -0.206 0.000 1.041 104 R CB 0.239 30.460 30.300 -0.131 0.000 1.115 104 R HN 0.585 nan 8.270 nan 0.000 0.559 105 Q N 1.124 120.896 119.800 -0.047 0.000 2.309 105 Q HA 0.401 4.741 4.340 -0.000 0.000 0.270 105 Q C -1.533 174.419 176.000 -0.081 0.000 1.023 105 Q CA -0.693 55.085 55.803 -0.042 0.000 0.758 105 Q CB 2.377 31.139 28.738 0.041 0.000 1.247 105 Q HN -0.110 nan 8.270 nan 0.000 0.455 106 L N 3.077 124.197 121.223 -0.171 0.000 2.313 106 L HA 0.575 4.915 4.340 -0.000 0.000 0.283 106 L C -1.741 174.995 176.870 -0.222 0.000 1.013 106 L CA -0.181 54.600 54.840 -0.098 0.000 0.816 106 L CB 0.826 42.832 42.059 -0.088 0.000 1.236 106 L HN 0.435 nan 8.230 nan 0.000 0.419 107 F N 5.690 125.636 119.950 -0.006 0.000 2.375 107 F HA 0.435 4.962 4.527 -0.000 0.000 0.361 107 F C -0.178 175.664 175.800 0.070 0.000 1.117 107 F CA -0.579 57.458 58.000 0.061 0.000 1.037 107 F CB 1.184 40.184 39.000 -0.000 0.000 1.192 107 F HN 0.207 nan 8.300 nan 0.000 0.452 108 L N 5.316 126.648 121.223 0.182 0.000 2.385 108 L HA 0.311 4.651 4.340 -0.000 0.000 0.281 108 L C -0.404 176.460 176.870 -0.010 0.000 1.106 108 L CA -0.542 54.357 54.840 0.098 0.000 0.856 108 L CB 0.183 42.285 42.059 0.071 0.000 1.186 108 L HN 0.285 nan 8.230 nan 0.000 0.453 109 V N 2.590 122.446 119.914 -0.096 0.000 2.439 109 V HA 0.477 4.597 4.120 -0.000 0.000 0.282 109 V C 0.813 176.792 176.094 -0.191 0.000 1.039 109 V CA -0.562 61.514 62.300 -0.373 0.000 0.913 109 V CB 1.512 33.113 31.823 -0.371 0.000 0.983 109 V HN 0.837 nan 8.190 nan 0.000 0.460 110 G N 2.961 111.645 108.800 -0.193 0.000 2.356 110 G HA2 0.569 4.529 3.960 -0.000 0.000 0.298 110 G HA3 0.569 4.529 3.960 -0.000 0.000 0.298 110 G C 0.033 174.897 174.900 -0.060 0.000 1.145 110 G CA -0.024 45.030 45.100 -0.076 0.000 0.850 110 G HN 0.890 nan 8.290 nan 0.000 0.487 111 S N 0.359 116.042 115.700 -0.028 0.000 2.786 111 S HA 0.304 4.774 4.470 -0.000 0.000 0.307 111 S C 1.415 176.015 174.600 0.000 0.000 1.121 111 S CA -0.394 57.799 58.200 -0.013 0.000 0.975 111 S CB 1.073 64.269 63.200 -0.006 0.000 1.220 111 S HN 0.545 nan 8.310 nan 0.000 0.550 112 C N 1.238 120.543 119.300 0.008 0.000 2.413 112 C HA 0.068 4.528 4.460 -0.000 0.000 0.278 112 C C -0.413 174.582 174.990 0.007 0.000 1.224 112 C CA 1.344 60.369 59.018 0.011 0.000 1.732 112 C CB -2.287 25.462 27.740 0.015 0.000 2.050 112 C HN 0.747 nan 8.230 nan 0.000 0.463 113 P HA -0.118 nan 4.420 nan 0.000 0.216 113 P C 1.877 179.175 177.300 -0.003 0.000 1.150 113 P CA 2.594 65.695 63.100 0.002 0.000 0.837 113 P CB -0.301 31.401 31.700 0.003 0.000 0.786 114 S N -0.389 115.308 115.700 -0.004 0.000 2.382 114 S HA -0.212 4.258 4.470 -0.000 0.000 0.228 114 S C 1.916 176.514 174.600 -0.003 0.000 1.027 114 S CA 1.350 59.545 58.200 -0.008 0.000 0.991 114 S CB -1.111 62.086 63.200 -0.004 0.000 0.823 114 S HN 0.194 nan 8.310 nan 0.000 0.469 115 E N 0.364 120.567 120.200 0.004 0.000 2.112 115 E HA 0.006 4.356 4.350 -0.000 0.000 0.190 115 E C 2.133 178.738 176.600 0.009 0.000 0.979 115 E CA 1.001 57.407 56.400 0.011 0.000 0.814 115 E CB -0.133 29.576 29.700 0.015 0.000 0.762 115 E HN 0.426 nan 8.360 nan 0.000 0.460 116 V N 1.306 121.223 119.914 0.005 0.000 2.379 116 V HA -0.196 3.924 4.120 -0.000 0.000 0.245 116 V C 2.040 178.134 176.094 -0.000 0.000 1.044 116 V CA 1.230 63.533 62.300 0.004 0.000 1.036 116 V CB -0.303 31.523 31.823 0.005 0.000 0.664 116 V HN 0.270 nan 8.190 nan 0.000 0.453 117 L N 0.137 121.355 121.223 -0.008 0.000 2.700 117 L HA -0.021 4.319 4.340 -0.000 0.000 0.240 117 L C 1.073 177.932 176.870 -0.019 0.000 1.162 117 L CA 0.600 55.429 54.840 -0.018 0.000 0.874 117 L CB -0.924 41.116 42.059 -0.031 0.000 1.001 117 L HN 0.367 nan 8.230 nan 0.000 0.447 118 K N 0.459 120.856 120.400 -0.004 0.000 3.078 118 K HA -0.206 4.114 4.320 -0.000 0.000 0.261 118 K C -0.063 176.541 176.600 0.007 0.000 0.947 118 K CA 0.474 56.766 56.287 0.008 0.000 0.702 118 K CB -1.715 30.793 32.500 0.014 0.000 1.318 118 K HN 0.362 nan 8.250 nan 0.000 0.473 119 L N 1.542 122.758 121.223 -0.012 0.000 2.456 119 L HA 0.027 4.367 4.340 -0.000 0.000 0.277 119 L C 0.859 177.780 176.870 0.085 0.000 1.124 119 L CA -0.202 54.617 54.840 -0.035 0.000 0.880 119 L CB 0.265 42.278 42.059 -0.077 0.000 1.192 119 L HN 0.068 nan 8.230 nan 0.000 0.463 120 D N 3.925 124.453 120.400 0.214 0.000 2.541 120 D HA 0.005 4.645 4.640 -0.000 0.000 0.231 120 D C 0.955 177.380 176.300 0.208 0.000 1.163 120 D CA -0.150 53.968 54.000 0.198 0.000 1.077 120 D CB 0.684 41.584 40.800 0.166 0.000 1.110 120 D HN 0.294 nan 8.370 nan 0.000 0.499 121 L N 2.072 123.386 121.223 0.152 0.000 2.291 121 L HA -0.063 4.277 4.340 -0.000 0.000 0.214 121 L C 1.777 178.693 176.870 0.077 0.000 1.120 121 L CA 1.077 55.990 54.840 0.121 0.000 0.799 121 L CB -0.411 41.698 42.059 0.084 0.000 0.925 121 L HN 0.290 nan 8.230 nan 0.000 0.446 122 D N -0.761 119.681 120.400 0.069 0.000 2.178 122 D HA -0.191 4.449 4.640 -0.000 0.000 0.201 122 D C 2.301 178.611 176.300 0.015 0.000 0.980 122 D CA 0.842 54.874 54.000 0.053 0.000 0.842 122 D CB 0.175 41.010 40.800 0.057 0.000 0.948 122 D HN 0.266 nan 8.370 nan 0.000 0.472 123 R N 0.187 120.682 120.500 -0.007 0.000 2.173 123 R HA 0.103 4.443 4.340 -0.000 0.000 0.208 123 R C 2.070 178.302 176.300 -0.112 0.000 1.035 123 R CA 0.727 56.787 56.100 -0.065 0.000 1.004 123 R CB 0.122 30.367 30.300 -0.092 0.000 0.917 123 R HN 0.017 nan 8.270 nan 0.000 0.462 124 A N 0.969 123.730 122.820 -0.098 0.000 1.902 124 A HA -0.114 4.206 4.320 -0.000 0.000 0.217 124 A C 2.301 179.867 177.584 -0.030 0.000 1.181 124 A CA 1.652 53.647 52.037 -0.070 0.000 0.623 124 A CB -0.708 18.332 19.000 0.066 0.000 0.818 124 A HN 0.468 nan 8.150 nan 0.000 0.443 125 A N -0.002 122.810 122.820 -0.014 0.000 1.865 125 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 125 A C 1.922 179.464 177.584 -0.070 0.000 1.191 125 A CA 2.319 54.334 52.037 -0.036 0.000 0.623 125 A CB -0.723 18.269 19.000 -0.014 0.000 0.826 125 A HN 0.632 nan 8.150 nan 0.000 0.444 126 E N 0.566 120.728 120.200 -0.063 0.000 2.072 126 E HA -0.317 4.033 4.350 -0.000 0.000 0.218 126 E C 2.165 178.722 176.600 -0.072 0.000 1.051 126 E CA 2.642 59.000 56.400 -0.070 0.000 0.880 126 E CB -0.387 29.278 29.700 -0.058 0.000 0.783 126 E HN 0.690 nan 8.360 nan 0.000 0.473 127 R N -0.233 120.224 120.500 -0.070 0.000 2.115 127 R HA -0.090 4.250 4.340 -0.000 0.000 0.230 127 R C 2.099 178.372 176.300 -0.046 0.000 1.111 127 R CA 1.364 57.425 56.100 -0.065 0.000 0.976 127 R CB -0.377 29.877 30.300 -0.076 0.000 0.870 127 R HN 0.250 nan 8.270 nan 0.000 0.445 128 L N 1.393 122.603 121.223 -0.022 0.000 2.141 128 L HA 0.002 4.342 4.340 -0.000 0.000 0.209 128 L C 2.181 179.080 176.870 0.048 0.000 1.094 128 L CA 1.453 56.323 54.840 0.050 0.000 0.763 128 L CB -0.904 41.190 42.059 0.058 0.000 0.908 128 L HN 0.253 nan 8.230 nan 0.000 0.437 129 S N -0.184 115.489 115.700 -0.046 0.000 2.348 129 S HA -0.131 4.339 4.470 -0.000 0.000 0.221 129 S C 2.018 176.585 174.600 -0.055 0.000 1.033 129 S CA 1.221 59.371 58.200 -0.084 0.000 1.010 129 S CB -0.722 62.382 63.200 -0.159 0.000 0.891 129 S HN 0.556 nan 8.310 nan 0.000 0.442 130 G N 1.499 110.260 108.800 -0.064 0.000 2.442 130 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.219 130 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.219 130 G C 1.221 176.073 174.900 -0.080 0.000 1.141 130 G CA 0.644 45.706 45.100 -0.064 0.000 0.763 130 G HN 0.337 nan 8.290 nan 0.000 0.554 131 L N -0.340 120.820 121.223 -0.105 0.000 2.217 131 L HA 0.167 4.507 4.340 -0.000 0.000 0.211 131 L C 1.716 178.365 176.870 -0.369 0.000 1.107 131 L CA 1.262 55.962 54.840 -0.232 0.000 0.783 131 L CB -0.578 41.319 42.059 -0.269 0.000 0.919 131 L HN 0.358 nan 8.230 nan 0.000 0.442 132 H N -2.195 116.850 119.070 -0.043 0.000 2.923 132 H HA 0.484 5.040 4.556 -0.000 0.000 0.268 132 H C 0.805 176.123 175.328 -0.017 0.000 1.148 132 H CA 0.114 56.146 56.048 -0.027 0.000 1.146 132 H CB 0.431 30.172 29.762 -0.036 0.000 1.607 132 H HN 0.173 nan 8.280 nan 0.000 0.566 133 A N 1.462 124.307 122.820 0.042 0.000 2.406 133 A HA 0.168 4.488 4.320 -0.000 0.000 0.243 133 A C -0.948 176.659 177.584 0.039 0.000 1.082 133 A CA -0.868 51.183 52.037 0.023 0.000 0.786 133 A CB 0.149 19.140 19.000 -0.015 0.000 1.029 133 A HN 0.203 nan 8.150 nan 0.000 0.495 134 P HA -0.011 nan 4.420 nan 0.000 0.240 134 P C 1.133 178.482 177.300 0.082 0.000 1.190 134 P CA 0.908 64.035 63.100 0.045 0.000 0.781 134 P CB -0.062 31.660 31.700 0.038 0.000 0.931 135 H N -0.001 119.072 119.070 0.004 0.000 2.353 135 H HA 0.006 4.562 4.556 -0.000 0.000 0.300 135 H C -0.330 174.995 175.328 -0.004 0.000 1.090 135 H CA 0.880 56.931 56.048 0.005 0.000 1.327 135 H CB 0.384 30.154 29.762 0.012 0.000 1.383 135 H HN -0.117 nan 8.280 nan 0.000 0.508 136 V N 1.636 121.517 119.914 -0.056 0.000 2.482 136 V HA 0.263 4.383 4.120 -0.000 0.000 0.295 136 V C -0.282 175.739 176.094 -0.121 0.000 1.026 136 V CA -0.712 61.497 62.300 -0.151 0.000 0.856 136 V CB 2.010 33.742 31.823 -0.151 0.000 1.001 136 V HN 0.206 nan 8.190 nan 0.000 0.424 137 R N 3.149 123.547 120.500 -0.171 0.000 2.346 137 R HA 0.756 5.096 4.340 -0.000 0.000 0.311 137 R C -1.025 175.034 176.300 -0.402 0.000 0.983 137 R CA -0.356 55.569 56.100 -0.291 0.000 0.880 137 R CB 1.819 31.914 30.300 -0.343 0.000 1.100 137 R HN 0.594 nan 8.270 nan 0.000 0.453 138 V N 5.458 125.104 119.914 -0.447 0.000 2.495 138 V HA 0.508 4.628 4.120 -0.000 0.000 0.298 138 V C -1.509 174.293 176.094 -0.487 0.000 1.031 138 V CA -0.431 61.641 62.300 -0.379 0.000 0.871 138 V CB 1.147 32.859 31.823 -0.185 0.000 0.988 138 V HN 0.766 nan 8.190 nan 0.000 0.432 139 Y N 3.526 123.643 120.300 -0.305 0.000 2.618 139 Y HA 0.798 5.348 4.550 -0.000 0.000 0.326 139 Y C 0.654 176.558 175.900 0.007 0.000 1.168 139 Y CA -0.374 57.626 58.100 -0.168 0.000 1.269 139 Y CB 2.046 40.333 38.460 -0.289 0.000 1.388 139 Y HN 0.742 nan 8.280 nan 0.000 0.528 140 S N 0.499 116.385 115.700 0.309 0.000 2.540 140 S HA 0.722 5.192 4.470 -0.000 0.000 0.275 140 S C -1.883 172.947 174.600 0.384 0.000 1.123 140 S CA -0.485 57.876 58.200 0.268 0.000 0.907 140 S CB 0.702 63.988 63.200 0.143 0.000 1.081 140 S HN 0.618 nan 8.310 nan 0.000 0.476 141 Y N -0.093 120.320 120.300 0.188 0.000 2.624 141 Y HA 0.683 5.233 4.550 -0.000 0.000 0.334 141 Y C -0.542 175.417 175.900 0.099 0.000 1.155 141 Y CA -0.854 57.328 58.100 0.137 0.000 1.046 141 Y CB 0.934 39.478 38.460 0.140 0.000 1.316 141 Y HN 0.589 nan 8.280 nan 0.000 0.457 142 T N 0.082 114.744 114.554 0.180 0.000 2.856 142 T HA 0.568 4.918 4.350 -0.000 0.000 0.292 142 T C 0.457 175.216 174.700 0.099 0.000 0.980 142 T CA 0.218 62.356 62.100 0.064 0.000 1.091 142 T CB 0.624 69.541 68.868 0.083 0.000 0.936 142 T HN 1.357 nan 8.240 nan 0.000 0.503 143 G N 2.494 111.286 108.800 -0.014 0.000 4.110 143 G HA2 0.320 4.280 3.960 -0.000 0.000 0.292 143 G HA3 0.320 4.280 3.960 -0.000 0.000 0.292 143 G C 0.351 175.259 174.900 0.014 0.000 1.020 143 G CA 0.002 45.116 45.100 0.025 0.000 0.808 143 G HN 1.034 nan 8.290 nan 0.000 0.474 144 S N -0.647 115.063 115.700 0.016 0.000 2.593 144 S HA 0.469 4.939 4.470 -0.000 0.000 0.269 144 S C 1.800 176.421 174.600 0.036 0.000 1.334 144 S CA 0.426 58.638 58.200 0.020 0.000 1.015 144 S CB 1.585 64.794 63.200 0.016 0.000 0.912 144 S HN 0.367 nan 8.310 nan 0.000 0.541 145 G N 0.877 109.699 108.800 0.038 0.000 2.469 145 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.220 145 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.220 145 G C 1.212 176.134 174.900 0.037 0.000 1.136 145 G CA 1.047 46.173 45.100 0.044 0.000 0.759 145 G HN 0.743 nan 8.290 nan 0.000 0.562 146 L N -0.017 121.224 121.223 0.030 0.000 2.275 146 L HA 0.060 4.400 4.340 -0.000 0.000 0.215 146 L C 1.812 178.698 176.870 0.026 0.000 1.119 146 L CA 0.955 55.810 54.840 0.026 0.000 0.790 146 L CB -0.180 41.893 42.059 0.023 0.000 0.919 146 L HN 0.055 nan 8.230 nan 0.000 0.443 147 D N -1.143 119.273 120.400 0.028 0.000 2.514 147 D HA 0.054 4.694 4.640 -0.000 0.000 0.249 147 D C 1.009 177.321 176.300 0.020 0.000 1.036 147 D CA 0.960 54.972 54.000 0.021 0.000 0.911 147 D CB 0.537 41.354 40.800 0.029 0.000 1.145 147 D HN 0.285 nan 8.370 nan 0.000 0.495 148 T N -1.319 113.259 114.554 0.040 0.000 2.887 148 T HA 0.623 4.973 4.350 -0.000 0.000 0.288 148 T C -0.427 174.325 174.700 0.088 0.000 1.021 148 T CA -0.634 61.497 62.100 0.052 0.000 1.000 148 T CB 2.303 71.205 68.868 0.057 0.000 1.034 148 T HN -0.276 nan 8.240 nan 0.000 0.467 149 T N 3.529 118.149 114.554 0.110 0.000 2.842 149 T HA 0.451 4.801 4.350 -0.000 0.000 0.308 149 T C 0.256 175.112 174.700 0.261 0.000 1.041 149 T CA -0.498 61.709 62.100 0.179 0.000 0.964 149 T CB -0.138 68.834 68.868 0.175 0.000 0.972 149 T HN 0.820 nan 8.240 nan 0.000 0.460 150 F N 2.215 122.227 119.950 0.104 0.000 2.234 150 F HA -0.438 4.089 4.527 -0.000 0.000 0.468 150 F C 2.276 178.091 175.800 0.026 0.000 1.173 150 F CA 2.329 60.395 58.000 0.110 0.000 1.733 150 F CB -1.035 38.060 39.000 0.159 0.000 1.012 150 F HN 0.565 nan 8.300 nan 0.000 0.223 151 T N -1.057 113.272 114.554 -0.375 0.000 3.055 151 T HA -0.069 4.281 4.350 -0.000 0.000 0.265 151 T C 1.231 175.709 174.700 -0.370 0.000 1.111 151 T CA 1.278 62.947 62.100 -0.719 0.000 1.118 151 T CB -0.257 67.539 68.868 -1.786 0.000 0.909 151 T HN 0.691 nan 8.240 nan 0.000 0.501 152 Q N 0.733 120.458 119.800 -0.126 0.000 2.439 152 Q HA 0.038 4.378 4.340 -0.000 0.000 0.211 152 Q C 2.474 178.470 176.000 -0.006 0.000 0.978 152 Q CA 0.897 56.704 55.803 0.005 0.000 0.897 152 Q CB -0.455 28.302 28.738 0.032 0.000 0.956 152 Q HN 0.770 nan 8.270 nan 0.000 0.483 153 G N 1.083 109.846 108.800 -0.060 0.000 2.408 153 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.217 153 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.217 153 G C 1.177 175.975 174.900 -0.170 0.000 1.150 153 G CA 0.710 45.777 45.100 -0.055 0.000 0.776 153 G HN 0.393 nan 8.290 nan 0.000 0.542 154 E N 0.230 120.321 120.200 -0.181 0.000 2.077 154 E HA -0.159 4.191 4.350 -0.000 0.000 0.193 154 E C 2.005 178.554 176.600 -0.085 0.000 0.989 154 E CA 1.103 57.424 56.400 -0.132 0.000 0.800 154 E CB -0.128 29.667 29.700 0.159 0.000 0.746 154 E HN 0.299 nan 8.360 nan 0.000 0.452 155 D N -0.124 120.299 120.400 0.038 0.000 2.103 155 D HA -0.189 4.451 4.640 -0.000 0.000 0.190 155 D C 2.101 178.365 176.300 -0.059 0.000 0.997 155 D CA 2.701 56.727 54.000 0.043 0.000 0.833 155 D CB -0.518 40.348 40.800 0.110 0.000 0.961 155 D HN 0.352 nan 8.370 nan 0.000 0.447 156 T N -1.704 112.807 114.554 -0.071 0.000 2.833 156 T HA -0.187 4.163 4.350 -0.000 0.000 0.269 156 T C 2.508 177.030 174.700 -0.296 0.000 1.054 156 T CA 1.432 63.496 62.100 -0.059 0.000 1.135 156 T CB -1.224 67.715 68.868 0.119 0.000 0.869 156 T HN 0.338 nan 8.240 nan 0.000 0.466 157 C N 1.192 120.024 119.300 -0.779 0.000 2.413 157 C HA 0.056 4.516 4.460 -0.000 0.000 0.278 157 C C 2.703 177.395 174.990 -0.495 0.000 1.224 157 C CA 0.756 59.022 59.018 -1.254 0.000 1.732 157 C CB -1.588 25.375 27.740 -1.296 0.000 2.050 157 C HN 0.663 nan 8.230 nan 0.000 0.463 158 L N 1.302 122.329 121.223 -0.327 0.000 2.046 158 L HA -0.068 4.272 4.340 -0.000 0.000 0.208 158 L C 3.062 179.864 176.870 -0.114 0.000 1.077 158 L CA 1.680 56.411 54.840 -0.183 0.000 0.747 158 L CB -0.975 41.007 42.059 -0.127 0.000 0.896 158 L HN 0.476 nan 8.230 nan 0.000 0.432 159 A N 0.144 122.910 122.820 -0.090 0.000 2.024 159 A HA -0.184 4.136 4.320 -0.000 0.000 0.220 159 A C 2.489 180.076 177.584 0.005 0.000 1.164 159 A CA 1.765 53.780 52.037 -0.037 0.000 0.643 159 A CB -0.552 18.441 19.000 -0.011 0.000 0.806 159 A HN 0.440 nan 8.150 nan 0.000 0.451 160 A N -0.831 122.000 122.820 0.017 0.000 1.929 160 A HA 0.017 4.337 4.320 -0.000 0.000 0.216 160 A C 2.180 179.845 177.584 0.134 0.000 1.176 160 A CA 1.518 53.632 52.037 0.127 0.000 0.628 160 A CB -0.418 18.726 19.000 0.240 0.000 0.816 160 A HN 0.513 nan 8.150 nan 0.000 0.444 161 M N -0.719 118.870 119.600 -0.017 0.000 2.254 161 M HA -0.092 4.388 4.480 -0.000 0.000 0.265 161 M C 2.031 178.351 176.300 0.034 0.000 1.066 161 M CA 0.883 56.121 55.300 -0.104 0.000 1.123 161 M CB -0.331 32.140 32.600 -0.216 0.000 1.388 161 M HN 0.249 nan 8.290 nan 0.000 0.425 162 V N 1.024 120.940 119.914 0.003 0.000 2.231 162 V HA -0.225 3.895 4.120 -0.000 0.000 0.248 162 V C -0.584 175.525 176.094 0.025 0.000 1.054 162 V CA 2.197 64.492 62.300 -0.009 0.000 1.015 162 V CB -2.062 29.731 31.823 -0.050 0.000 0.638 162 V HN 0.282 nan 8.190 nan 0.000 0.444 163 P HA -0.148 nan 4.420 nan 0.000 0.218 163 P C 1.574 178.907 177.300 0.055 0.000 1.146 163 P CA 2.154 65.282 63.100 0.047 0.000 0.813 163 P CB -0.219 31.516 31.700 0.059 0.000 0.778 164 T N -4.666 109.946 114.554 0.096 0.000 3.086 164 T HA 0.187 4.537 4.350 -0.000 0.000 0.250 164 T C 0.583 175.335 174.700 0.086 0.000 1.074 164 T CA -0.191 61.966 62.100 0.095 0.000 0.988 164 T CB -0.837 68.108 68.868 0.129 0.000 0.988 164 T HN -0.120 nan 8.240 nan 0.000 0.530 165 L N 1.761 123.023 121.223 0.066 0.000 2.476 165 L HA 0.333 4.673 4.340 -0.000 0.000 0.264 165 L C 0.487 177.376 176.870 0.031 0.000 1.224 165 L CA -0.715 54.152 54.840 0.045 0.000 0.821 165 L CB 0.195 42.266 42.059 0.020 0.000 1.101 165 L HN 0.156 nan 8.230 nan 0.000 0.488 166 D N -0.112 120.304 120.400 0.027 0.000 2.382 166 D HA 0.078 4.718 4.640 -0.000 0.000 0.240 166 D C 0.061 176.371 176.300 0.016 0.000 1.146 166 D CA 0.114 54.127 54.000 0.021 0.000 0.897 166 D CB 0.973 41.786 40.800 0.021 0.000 1.197 166 D HN 0.398 nan 8.370 nan 0.000 0.432 167 T N -0.021 114.541 114.554 0.014 0.000 2.909 167 T HA 0.507 4.857 4.350 -0.000 0.000 0.286 167 T C -0.547 174.162 174.700 0.014 0.000 1.002 167 T CA -0.177 61.931 62.100 0.013 0.000 1.074 167 T CB 0.695 69.570 68.868 0.011 0.000 0.984 167 T HN 0.285 nan 8.240 nan 0.000 0.495 168 T N 2.110 116.673 114.554 0.015 0.000 3.159 168 T HA 0.260 4.610 4.350 -0.000 0.000 0.343 168 T C 0.520 175.230 174.700 0.017 0.000 1.364 168 T CA -0.511 61.599 62.100 0.017 0.000 1.102 168 T CB 1.310 70.190 68.868 0.020 0.000 1.263 168 T HN 0.775 nan 8.240 nan 0.000 0.477 169 E N 2.610 122.819 120.200 0.015 0.000 2.511 169 E HA 0.419 4.769 4.350 -0.000 0.000 0.196 169 E C 0.931 177.541 176.600 0.015 0.000 1.066 169 E CA -0.014 56.393 56.400 0.013 0.000 0.871 169 E CB 0.123 29.829 29.700 0.009 0.000 0.863 169 E HN 0.633 nan 8.360 nan 0.000 0.520 170 A N 1.432 124.265 122.820 0.021 0.000 2.507 170 A HA 0.390 4.710 4.320 -0.000 0.000 0.235 170 A C 0.749 178.354 177.584 0.034 0.000 1.070 170 A CA 0.303 52.356 52.037 0.028 0.000 0.768 170 A CB 0.218 19.238 19.000 0.033 0.000 1.011 170 A HN 0.412 nan 8.150 nan 0.000 0.502 171 A N 2.260 125.104 122.820 0.040 0.000 3.258 171 A HA 0.400 4.720 4.320 -0.000 0.000 0.275 171 A C 0.352 178.004 177.584 0.113 0.000 1.452 171 A CA -0.293 51.770 52.037 0.044 0.000 1.120 171 A CB -0.576 18.427 19.000 0.004 0.000 1.107 171 A HN 0.853 nan 8.150 nan 0.000 0.651 172 E N -0.062 120.204 120.200 0.110 0.000 2.374 172 E HA 0.330 4.680 4.350 -0.000 0.000 0.260 172 E C -0.590 176.115 176.600 0.175 0.000 1.101 172 E CA -0.305 56.172 56.400 0.127 0.000 0.907 172 E CB 1.136 30.885 29.700 0.081 0.000 1.014 172 E HN 0.478 nan 8.360 nan 0.000 0.427 173 L N 3.686 124.990 121.223 0.134 0.000 2.295 173 L HA 0.461 4.801 4.340 -0.000 0.000 0.285 173 L C -1.019 175.902 176.870 0.085 0.000 1.035 173 L CA -0.502 54.400 54.840 0.103 0.000 0.806 173 L CB 0.711 42.733 42.059 -0.061 0.000 1.214 173 L HN 0.524 nan 8.230 nan 0.000 0.426 174 I N 5.154 125.802 120.570 0.130 0.000 2.418 174 I HA 0.278 4.448 4.170 -0.000 0.000 0.287 174 I C -0.446 175.769 176.117 0.163 0.000 1.008 174 I CA -0.759 60.617 61.300 0.127 0.000 1.104 174 I CB 2.053 40.122 38.000 0.115 0.000 1.264 174 I HN 0.199 nan 8.210 nan 0.000 0.438 175 V N 7.287 127.283 119.914 0.138 0.000 2.364 175 V HA 0.290 4.410 4.120 -0.000 0.000 0.272 175 V C 0.207 176.382 176.094 0.136 0.000 1.036 175 V CA -0.587 61.827 62.300 0.191 0.000 0.880 175 V CB 1.366 33.321 31.823 0.219 0.000 0.991 175 V HN 0.396 nan 8.190 nan 0.000 0.460 176 V N 3.774 123.785 119.914 0.162 0.000 2.532 176 V HA 0.962 5.082 4.120 -0.000 0.000 0.295 176 V C 0.599 176.710 176.094 0.028 0.000 1.041 176 V CA 0.164 62.519 62.300 0.092 0.000 0.926 176 V CB 1.017 32.917 31.823 0.127 0.000 0.992 176 V HN 1.276 nan 8.190 nan 0.000 0.457 177 G N 3.044 111.832 108.800 -0.020 0.000 2.906 177 G HA2 0.395 4.355 3.960 -0.000 0.000 0.686 177 G HA3 0.395 4.355 3.960 -0.000 0.000 0.686 177 G C -0.451 174.415 174.900 -0.057 0.000 1.170 177 G CA -0.460 44.602 45.100 -0.065 0.000 0.775 177 G HN 1.444 nan 8.290 nan 0.000 0.630 178 A N 2.011 124.826 122.820 -0.009 0.000 2.409 178 A HA 0.779 5.099 4.320 -0.000 0.000 0.267 178 A C 0.484 178.020 177.584 -0.081 0.000 1.127 178 A CA 0.166 52.197 52.037 -0.010 0.000 0.795 178 A CB 0.266 19.309 19.000 0.072 0.000 1.061 178 A HN 1.343 nan 8.150 nan 0.000 0.502 179 L N 3.141 124.295 121.223 -0.114 0.000 2.388 179 L HA 0.443 4.783 4.340 -0.000 0.000 0.264 179 L C -2.458 174.350 176.870 -0.104 0.000 0.998 179 L CA -2.350 52.389 54.840 -0.167 0.000 0.817 179 L CB 2.328 44.239 42.059 -0.246 0.000 1.338 179 L HN 0.406 nan 8.230 nan 0.000 0.414 180 P HA 0.001 nan 4.420 nan 0.000 0.266 180 P C -0.456 176.817 177.300 -0.045 0.000 1.193 180 P CA 0.075 63.145 63.100 -0.049 0.000 0.770 180 P CB 0.507 32.193 31.700 -0.024 0.000 0.836 181 D N 0.517 120.899 120.400 -0.029 0.000 2.309 181 D HA -0.116 4.524 4.640 -0.000 0.000 0.212 181 D C 1.537 177.815 176.300 -0.037 0.000 0.968 181 D CA 0.815 54.796 54.000 -0.031 0.000 0.882 181 D CB -0.261 40.531 40.800 -0.013 0.000 0.918 181 D HN 0.074 nan 8.370 nan 0.000 0.503 182 V N 0.166 120.064 119.914 -0.027 0.000 2.255 182 V HA -0.191 3.929 4.120 -0.000 0.000 0.243 182 V C 2.467 178.528 176.094 -0.055 0.000 1.038 182 V CA 0.932 63.216 62.300 -0.027 0.000 1.008 182 V CB -0.725 31.096 31.823 -0.005 0.000 0.645 182 V HN 0.114 nan 8.190 nan 0.000 0.449 183 V N 0.441 120.324 119.914 -0.051 0.000 2.332 183 V HA -0.338 3.782 4.120 -0.000 0.000 0.248 183 V C 2.539 178.508 176.094 -0.209 0.000 1.055 183 V CA 2.479 64.731 62.300 -0.080 0.000 1.038 183 V CB -0.711 31.111 31.823 -0.002 0.000 0.651 183 V HN 0.709 nan 8.190 nan 0.000 0.450 184 E N 0.340 120.443 120.200 -0.161 0.000 2.049 184 E HA -0.291 4.059 4.350 -0.000 0.000 0.198 184 E C 1.856 178.336 176.600 -0.200 0.000 1.007 184 E CA 1.923 58.216 56.400 -0.179 0.000 0.809 184 E CB -0.161 29.476 29.700 -0.107 0.000 0.749 184 E HN 0.642 nan 8.360 nan 0.000 0.450 185 D N 0.135 120.447 120.400 -0.146 0.000 2.178 185 D HA -0.167 4.473 4.640 -0.000 0.000 0.201 185 D C 2.023 178.225 176.300 -0.163 0.000 0.980 185 D CA 0.942 54.868 54.000 -0.124 0.000 0.842 185 D CB -0.273 40.481 40.800 -0.077 0.000 0.948 185 D HN 0.392 nan 8.370 nan 0.000 0.472 186 Q N -0.000 119.672 119.800 -0.213 0.000 2.050 186 Q HA -0.134 4.205 4.340 -0.000 0.000 0.202 186 Q C 2.448 178.221 176.000 -0.378 0.000 0.980 186 Q CA 1.200 56.858 55.803 -0.241 0.000 0.840 186 Q CB -0.338 28.262 28.738 -0.230 0.000 0.898 186 Q HN 0.333 nan 8.270 nan 0.000 0.424 187 C N 0.409 119.309 119.300 -0.666 0.000 2.413 187 C HA -0.158 4.302 4.460 -0.000 0.000 0.277 187 C C 2.468 177.282 174.990 -0.294 0.000 1.228 187 C CA 0.627 59.185 59.018 -0.766 0.000 1.731 187 C CB -0.967 26.205 27.740 -0.947 0.000 2.042 187 C HN 0.435 nan 8.230 nan 0.000 0.468 188 L N 1.063 122.158 121.223 -0.212 0.000 2.012 188 L HA -0.096 4.244 4.340 -0.000 0.000 0.210 188 L C 2.980 179.799 176.870 -0.086 0.000 1.073 188 L CA 2.426 57.199 54.840 -0.111 0.000 0.748 188 L CB -1.476 40.529 42.059 -0.089 0.000 0.891 188 L HN 0.477 nan 8.230 nan 0.000 0.431 189 S N -1.153 114.490 115.700 -0.095 0.000 2.382 189 S HA -0.121 4.349 4.470 -0.000 0.000 0.228 189 S C 2.040 176.612 174.600 -0.047 0.000 1.027 189 S CA 1.011 59.173 58.200 -0.063 0.000 0.991 189 S CB -0.164 62.999 63.200 -0.061 0.000 0.823 189 S HN 0.360 nan 8.310 nan 0.000 0.469 190 L N 0.720 121.909 121.223 -0.056 0.000 2.141 190 L HA -0.016 4.324 4.340 -0.000 0.000 0.209 190 L C 2.239 179.115 176.870 0.011 0.000 1.094 190 L CA 0.819 55.654 54.840 -0.008 0.000 0.763 190 L CB -0.357 41.717 42.059 0.025 0.000 0.908 190 L HN 0.344 nan 8.230 nan 0.000 0.437 191 L N -1.071 120.147 121.223 -0.007 0.000 2.095 191 L HA -0.126 4.214 4.340 -0.000 0.000 0.204 191 L C 2.604 179.456 176.870 -0.031 0.000 1.080 191 L CA 1.262 56.094 54.840 -0.013 0.000 0.759 191 L CB -0.809 41.233 42.059 -0.028 0.000 0.914 191 L HN 0.258 nan 8.230 nan 0.000 0.439 192 T N -1.141 113.395 114.554 -0.031 0.000 2.746 192 T HA -0.246 4.104 4.350 -0.000 0.000 0.267 192 T C 1.851 176.545 174.700 -0.011 0.000 1.039 192 T CA 1.208 63.295 62.100 -0.023 0.000 1.142 192 T CB -0.236 68.619 68.868 -0.022 0.000 0.866 192 T HN 0.341 nan 8.240 nan 0.000 0.444 193 Q N 0.364 120.158 119.800 -0.009 0.000 2.124 193 Q HA 0.043 4.383 4.340 -0.000 0.000 0.202 193 Q C 2.145 178.150 176.000 0.009 0.000 0.977 193 Q CA 1.002 56.803 55.803 -0.004 0.000 0.850 193 Q CB -0.355 28.377 28.738 -0.011 0.000 0.901 193 Q HN 0.488 nan 8.270 nan 0.000 0.429 194 L N -0.980 120.255 121.223 0.020 0.000 2.552 194 L HA 0.063 4.403 4.340 -0.000 0.000 0.227 194 L C 1.023 177.918 176.870 0.041 0.000 1.146 194 L CA 0.451 55.321 54.840 0.050 0.000 0.858 194 L CB 0.007 42.121 42.059 0.092 0.000 0.969 194 L HN 0.416 nan 8.230 nan 0.000 0.451 195 G N 0.635 109.445 108.800 0.017 0.000 2.142 195 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.225 195 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.225 195 G C -0.095 174.814 174.900 0.014 0.000 1.015 195 G CA 0.194 45.306 45.100 0.020 0.000 0.716 195 G HN 0.186 nan 8.290 nan 0.000 0.508 196 V N -0.150 119.740 119.914 -0.039 0.000 2.435 196 V HA 0.993 5.113 4.120 -0.000 0.000 0.290 196 V C 0.395 176.424 176.094 -0.108 0.000 1.030 196 V CA 0.964 63.189 62.300 -0.124 0.000 0.881 196 V CB 1.557 33.148 31.823 -0.386 0.000 0.983 196 V HN 1.820 nan 8.190 nan 0.000 0.445 197 G N 5.869 114.640 108.800 -0.047 0.000 2.387 197 G HA2 0.564 4.524 3.960 -0.000 0.000 0.294 197 G HA3 0.564 4.524 3.960 -0.000 0.000 0.294 197 G C -3.323 171.607 174.900 0.050 0.000 1.509 197 G CA -0.544 44.550 45.100 -0.011 0.000 0.806 197 G HN 0.795 nan 8.290 nan 0.000 0.546 198 P HA 0.589 nan 4.420 nan 0.000 0.281 198 P C -0.828 176.479 177.300 0.013 0.000 1.249 198 P CA -0.649 62.464 63.100 0.021 0.000 0.810 198 P CB 1.935 33.651 31.700 0.027 0.000 1.008 199 V N 3.089 123.000 119.914 -0.004 0.000 2.483 199 V HA 0.557 4.677 4.120 -0.000 0.000 0.297 199 V C -0.824 175.273 176.094 0.005 0.000 1.027 199 V CA -0.737 61.558 62.300 -0.007 0.000 0.855 199 V CB 1.531 33.331 31.823 -0.039 0.000 0.995 199 V HN 0.487 nan 8.190 nan 0.000 0.424 200 R N 6.332 126.843 120.500 0.020 0.000 2.778 200 R HA 0.652 4.992 4.340 -0.000 0.000 0.277 200 R C -0.911 175.403 176.300 0.024 0.000 0.977 200 R CA -1.045 55.066 56.100 0.018 0.000 0.950 200 R CB 1.901 32.213 30.300 0.020 0.000 1.165 200 R HN 0.608 nan 8.270 nan 0.000 0.474 201 M N 1.938 121.546 119.600 0.013 0.000 2.274 201 M HA 0.365 4.845 4.480 -0.000 0.000 0.344 201 M C -0.267 176.039 176.300 0.010 0.000 1.161 201 M CA -1.093 54.215 55.300 0.013 0.000 1.126 201 M CB 0.298 32.894 32.600 -0.006 0.000 1.522 201 M HN 0.413 nan 8.290 nan 0.000 0.461 202 L N 5.720 126.948 121.223 0.008 0.000 2.404 202 L HA 0.650 4.990 4.340 -0.000 0.000 0.272 202 L C -2.559 174.301 176.870 -0.016 0.000 0.980 202 L CA -1.273 53.562 54.840 -0.008 0.000 0.836 202 L CB 2.028 44.076 42.059 -0.019 0.000 1.238 202 L HN 0.394 nan 8.230 nan 0.000 0.408 203 P HA 0.338 nan 4.420 nan 0.000 0.282 203 P C -0.834 176.465 177.300 -0.002 0.000 1.249 203 P CA -0.421 62.669 63.100 -0.016 0.000 0.806 203 P CB 1.379 33.066 31.700 -0.020 0.000 0.984 204 A N 3.447 126.271 122.820 0.007 0.000 2.346 204 A HA 0.167 4.487 4.320 -0.000 0.000 0.252 204 A C 1.589 179.186 177.584 0.022 0.000 1.089 204 A CA -0.292 51.752 52.037 0.012 0.000 0.797 204 A CB -0.039 18.971 19.000 0.016 0.000 1.047 204 A HN 0.500 nan 8.150 nan 0.000 0.494 205 R N -0.461 120.052 120.500 0.021 0.000 2.120 205 R HA -0.062 4.278 4.340 -0.000 0.000 0.234 205 R C 0.245 176.572 176.300 0.045 0.000 1.123 205 R CA 1.264 57.383 56.100 0.030 0.000 0.975 205 R CB -0.067 30.247 30.300 0.023 0.000 0.866 205 R HN 0.657 nan 8.270 nan 0.000 0.446 206 R N -1.279 119.247 120.500 0.042 0.000 2.725 206 R HA 0.124 4.464 4.340 -0.000 0.000 0.277 206 R C 0.846 177.174 176.300 0.047 0.000 0.987 206 R CA -0.079 56.051 56.100 0.049 0.000 0.901 206 R CB 1.788 32.114 30.300 0.044 0.000 1.207 206 R HN 0.019 nan 8.270 nan 0.000 0.463 207 S N 0.572 116.305 115.700 0.054 0.000 2.400 207 S HA -0.211 4.259 4.470 -0.000 0.000 0.232 207 S C 1.320 175.947 174.600 0.044 0.000 1.025 207 S CA 1.911 60.144 58.200 0.054 0.000 0.993 207 S CB -0.208 63.025 63.200 0.054 0.000 0.808 207 S HN 0.793 nan 8.310 nan 0.000 0.478 208 D N 2.662 123.085 120.400 0.037 0.000 2.224 208 D HA -0.097 4.543 4.640 -0.000 0.000 0.205 208 D C 1.517 177.835 176.300 0.030 0.000 0.965 208 D CA 0.915 54.934 54.000 0.033 0.000 0.852 208 D CB -0.631 40.188 40.800 0.031 0.000 0.947 208 D HN 0.788 nan 8.370 nan 0.000 0.494 209 I N -1.712 118.876 120.570 0.029 0.000 3.801 209 I HA 0.285 4.455 4.170 -0.000 0.000 0.338 209 I C -0.199 175.932 176.117 0.023 0.000 1.513 209 I CA -0.770 60.545 61.300 0.025 0.000 1.197 209 I CB -0.014 37.998 38.000 0.022 0.000 1.300 209 I HN -0.355 nan 8.210 nan 0.000 0.433 210 E N 3.736 123.951 120.200 0.026 0.000 2.390 210 E HA 0.279 4.629 4.350 -0.000 0.000 0.261 210 E C -2.045 174.566 176.600 0.019 0.000 1.076 210 E CA -1.450 54.963 56.400 0.023 0.000 0.905 210 E CB 0.249 29.965 29.700 0.027 0.000 0.984 210 E HN 0.249 nan 8.360 nan 0.000 0.427 211 P HA 0.202 nan 4.420 nan 0.000 0.274 211 P C -1.147 176.161 177.300 0.014 0.000 1.237 211 P CA -0.362 62.747 63.100 0.015 0.000 0.793 211 P CB 0.760 32.468 31.700 0.013 0.000 0.977 212 A N 1.367 124.198 122.820 0.018 0.000 2.340 212 A HA 0.630 4.950 4.320 -0.000 0.000 0.331 212 A C -0.155 177.438 177.584 0.014 0.000 1.140 212 A CA -0.649 51.398 52.037 0.016 0.000 0.801 212 A CB 1.042 20.053 19.000 0.020 0.000 1.234 212 A HN 0.374 nan 8.150 nan 0.000 0.469 213 V N -0.273 119.645 119.914 0.006 0.000 2.630 213 V HA 0.992 5.112 4.120 -0.000 0.000 0.305 213 V C 0.445 176.547 176.094 0.013 0.000 1.046 213 V CA 0.091 62.393 62.300 0.004 0.000 0.934 213 V CB 0.983 32.794 31.823 -0.020 0.000 1.003 213 V HN 1.596 nan 8.190 nan 0.000 0.451 214 G N 1.609 110.422 108.800 0.022 0.000 2.600 214 G HA2 0.617 4.577 3.960 -0.000 0.000 0.293 214 G HA3 0.617 4.577 3.960 -0.000 0.000 0.293 214 G C -2.688 172.229 174.900 0.029 0.000 1.408 214 G CA -0.471 44.642 45.100 0.022 0.000 0.782 214 G HN 0.455 nan 8.290 nan 0.000 0.482 215 P HA -0.033 nan 4.420 nan 0.000 0.231 215 P C 0.506 177.819 177.300 0.021 0.000 1.158 215 P CA 0.902 64.016 63.100 0.023 0.000 0.763 215 P CB 0.135 31.843 31.700 0.014 0.000 0.805 216 N N -1.685 117.028 118.700 0.022 0.000 2.184 216 N HA 0.043 4.783 4.740 -0.000 0.000 0.206 216 N C -0.244 175.284 175.510 0.030 0.000 1.151 216 N CA -0.003 53.054 53.050 0.012 0.000 0.878 216 N CB 0.136 38.624 38.487 0.001 0.000 1.014 216 N HN -0.063 nan 8.380 nan 0.000 0.512 217 T N 2.110 116.701 114.554 0.061 0.000 2.834 217 T HA 0.188 4.538 4.350 -0.000 0.000 0.298 217 T C 0.302 175.088 174.700 0.144 0.000 0.966 217 T CA -0.168 61.993 62.100 0.103 0.000 1.141 217 T CB 0.666 69.596 68.868 0.103 0.000 0.905 217 T HN 0.014 nan 8.240 nan 0.000 0.535 218 R N 2.514 123.105 120.500 0.153 0.000 2.486 218 R HA 0.641 4.981 4.340 -0.000 0.000 0.286 218 R C -0.383 176.060 176.300 0.238 0.000 0.999 218 R CA -0.652 55.535 56.100 0.145 0.000 0.993 218 R CB 0.803 31.171 30.300 0.113 0.000 1.084 218 R HN 0.724 nan 8.270 nan 0.000 0.487 219 F N -0.564 119.395 119.950 0.015 0.000 2.629 219 F HA 0.770 5.297 4.527 -0.000 0.000 0.316 219 F C -1.015 174.767 175.800 -0.030 0.000 1.081 219 F CA -1.493 56.510 58.000 0.004 0.000 0.954 219 F CB 1.537 40.544 39.000 0.012 0.000 1.337 219 F HN 0.435 nan 8.300 nan 0.000 0.474 220 I N 2.881 123.487 120.570 0.060 0.000 2.692 220 I HA 0.462 4.632 4.170 -0.000 0.000 0.293 220 I C -1.736 174.487 176.117 0.176 0.000 1.200 220 I CA -0.892 60.354 61.300 -0.090 0.000 1.036 220 I CB 1.950 39.766 38.000 -0.307 0.000 1.258 220 I HN 0.735 nan 8.210 nan 0.000 0.421 221 L N 7.007 128.336 121.223 0.176 0.000 2.349 221 L HA 0.486 4.826 4.340 -0.000 0.000 0.275 221 L C 1.012 178.178 176.870 0.494 0.000 1.115 221 L CA -0.062 54.971 54.840 0.321 0.000 0.820 221 L CB 1.477 43.752 42.059 0.360 0.000 1.135 221 L HN 0.811 nan 8.230 nan 0.000 0.445 222 A N 2.291 125.281 122.820 0.284 0.000 2.288 222 A HA 0.209 4.529 4.320 -0.000 0.000 0.216 222 A C 0.534 178.083 177.584 -0.058 0.000 1.199 222 A CA 0.165 52.247 52.037 0.076 0.000 0.891 222 A CB 0.378 19.273 19.000 -0.176 0.000 0.923 222 A HN 0.687 nan 8.150 nan 0.000 0.500 223 Q N -0.853 118.821 119.800 -0.209 0.000 2.372 223 Q HA 0.325 4.665 4.340 -0.000 0.000 0.273 223 Q C -2.497 172.936 176.000 -0.946 0.000 1.078 223 Q CA -1.825 53.553 55.803 -0.708 0.000 0.806 223 Q CB 2.404 30.459 28.738 -1.138 0.000 1.332 223 Q HN 0.050 nan 8.270 nan 0.000 0.435 224 P HA 0.018 nan 4.420 nan 0.000 0.235 224 P C 0.428 177.575 177.300 -0.256 0.000 1.177 224 P CA 0.591 63.161 63.100 -0.885 0.000 0.785 224 P CB -0.084 31.168 31.700 -0.747 0.000 0.885 225 F N -1.654 118.247 119.950 -0.083 0.000 2.843 225 F HA 0.422 4.949 4.527 -0.000 0.000 0.290 225 F C 0.434 176.266 175.800 0.053 0.000 1.221 225 F CA -0.433 57.592 58.000 0.041 0.000 1.413 225 F CB -0.940 38.081 39.000 0.036 0.000 1.019 225 F HN -0.295 nan 8.300 nan 0.000 0.512 226 L N 1.078 122.323 121.223 0.035 0.000 3.168 226 L HA 0.403 4.743 4.340 -0.000 0.000 0.277 226 L C 1.875 178.770 176.870 0.043 0.000 1.308 226 L CA -0.324 54.540 54.840 0.040 0.000 0.976 226 L CB 0.455 42.490 42.059 -0.040 0.000 1.383 226 L HN 0.527 nan 8.230 nan 0.000 0.572 227 G N -0.199 108.645 108.800 0.072 0.000 2.453 227 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.215 227 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.215 227 G C 1.291 176.243 174.900 0.087 0.000 1.201 227 G CA 0.463 45.581 45.100 0.029 0.000 0.784 227 G HN 0.342 nan 8.290 nan 0.000 0.545 228 E N 0.346 120.601 120.200 0.091 0.000 2.110 228 E HA -0.100 4.250 4.350 -0.000 0.000 0.193 228 E C 2.739 179.362 176.600 0.037 0.000 0.988 228 E CA 1.452 57.892 56.400 0.066 0.000 0.804 228 E CB -0.609 29.116 29.700 0.043 0.000 0.745 228 E HN 0.365 nan 8.360 nan 0.000 0.458 229 T N 0.975 115.541 114.554 0.019 0.000 2.777 229 T HA -0.096 4.254 4.350 -0.000 0.000 0.266 229 T C 1.999 176.667 174.700 -0.054 0.000 1.040 229 T CA 1.683 63.767 62.100 -0.026 0.000 1.141 229 T CB -0.362 68.486 68.868 -0.034 0.000 0.868 229 T HN 0.181 nan 8.240 nan 0.000 0.444 230 T N 1.399 115.966 114.554 0.023 0.000 2.622 230 T HA -0.100 4.250 4.350 -0.000 0.000 0.266 230 T C 2.259 177.005 174.700 0.077 0.000 1.047 230 T CA 1.484 63.648 62.100 0.107 0.000 1.159 230 T CB -1.130 67.866 68.868 0.214 0.000 0.863 230 T HN 0.504 nan 8.240 nan 0.000 0.422 231 G N 1.592 110.447 108.800 0.092 0.000 2.599 231 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.219 231 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.219 231 G C 1.864 176.784 174.900 0.034 0.000 1.193 231 G CA 1.567 46.717 45.100 0.084 0.000 0.778 231 G HN 0.638 nan 8.290 nan 0.000 0.589 232 A N 0.348 123.170 122.820 0.002 0.000 1.903 232 A HA -0.067 4.253 4.320 -0.000 0.000 0.219 232 A C 2.539 180.080 177.584 -0.072 0.000 1.191 232 A CA 1.848 53.869 52.037 -0.026 0.000 0.638 232 A CB -0.510 18.470 19.000 -0.035 0.000 0.823 232 A HN 0.411 nan 8.150 nan 0.000 0.451 233 L N -1.362 119.760 121.223 -0.168 0.000 2.027 233 L HA -0.171 4.169 4.340 -0.000 0.000 0.206 233 L C 2.630 179.425 176.870 -0.124 0.000 1.074 233 L CA 1.657 56.321 54.840 -0.293 0.000 0.745 233 L CB -0.553 41.002 42.059 -0.840 0.000 0.898 233 L HN 0.451 nan 8.230 nan 0.000 0.433 234 E N -0.218 119.980 120.200 -0.002 0.000 2.153 234 E HA -0.206 4.144 4.350 -0.000 0.000 0.194 234 E C 2.284 178.919 176.600 0.058 0.000 0.988 234 E CA 0.790 57.253 56.400 0.106 0.000 0.811 234 E CB 0.023 29.820 29.700 0.162 0.000 0.746 234 E HN 0.303 nan 8.360 nan 0.000 0.466 235 R N 0.326 120.845 120.500 0.032 0.000 2.189 235 R HA -0.006 4.334 4.340 -0.000 0.000 0.223 235 R C 1.670 177.981 176.300 0.017 0.000 1.092 235 R CA 0.763 56.879 56.100 0.027 0.000 0.989 235 R CB 0.129 30.444 30.300 0.025 0.000 0.876 235 R HN 0.043 nan 8.270 nan 0.000 0.457 236 R N -0.701 119.801 120.500 0.003 0.000 2.317 236 R HA 0.124 4.464 4.340 -0.000 0.000 0.208 236 R C 0.727 177.035 176.300 0.014 0.000 0.914 236 R CA 0.703 56.805 56.100 0.002 0.000 1.060 236 R CB 0.932 31.223 30.300 -0.014 0.000 1.015 236 R HN 0.343 nan 8.270 nan 0.000 0.498 237 G N 0.832 109.650 108.800 0.030 0.000 2.131 237 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.223 237 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.223 237 G C 0.152 175.093 174.900 0.069 0.000 0.990 237 G CA 0.028 45.154 45.100 0.045 0.000 0.671 237 G HN 0.510 nan 8.290 nan 0.000 0.521 238 A N -0.288 122.588 122.820 0.093 0.000 2.302 238 A HA 0.781 5.101 4.320 -0.000 0.000 0.285 238 A C 0.338 178.111 177.584 0.315 0.000 1.105 238 A CA -0.005 52.143 52.037 0.185 0.000 0.816 238 A CB 0.672 19.768 19.000 0.160 0.000 1.067 238 A HN 0.386 nan 8.150 nan 0.000 0.489 239 K N 1.080 121.640 120.400 0.265 0.000 2.244 239 K HA 0.373 4.693 4.320 -0.000 0.000 0.260 239 K C -0.123 176.347 176.600 -0.217 0.000 0.951 239 K CA -0.558 55.790 56.287 0.102 0.000 0.826 239 K CB 2.089 34.592 32.500 0.006 0.000 1.108 239 K HN 0.732 nan 8.250 nan 0.000 0.433 240 R N 2.998 123.167 120.500 -0.551 0.000 2.543 240 R HA 0.227 4.567 4.340 -0.000 0.000 0.277 240 R C -0.588 175.386 176.300 -0.542 0.000 1.074 240 R CA -0.206 55.241 56.100 -1.089 0.000 1.076 240 R CB 0.431 30.244 30.300 -0.812 0.000 0.993 240 R HN 0.569 nan 8.270 nan 0.000 0.459 241 I N 3.553 123.811 120.570 -0.521 0.000 2.321 241 I HA 0.237 4.407 4.170 -0.000 0.000 0.291 241 I C 0.237 176.134 176.117 -0.366 0.000 0.998 241 I CA -0.473 60.611 61.300 -0.359 0.000 1.227 241 I CB 1.721 39.522 38.000 -0.332 0.000 1.368 241 I HN 0.646 nan 8.210 nan 0.000 0.466 242 A N 5.728 128.375 122.820 -0.288 0.000 2.401 242 A HA 0.829 5.149 4.320 -0.000 0.000 0.259 242 A C -0.026 177.372 177.584 -0.309 0.000 1.103 242 A CA -0.088 51.791 52.037 -0.262 0.000 0.789 242 A CB 0.428 19.322 19.000 -0.177 0.000 1.035 242 A HN 0.894 nan 8.150 nan 0.000 0.491 243 A N 3.665 126.263 122.820 -0.370 0.000 2.594 243 A HA 0.743 5.063 4.320 -0.000 0.000 0.296 243 A C -3.239 174.075 177.584 -0.449 0.000 1.056 243 A CA -1.231 50.573 52.037 -0.390 0.000 0.693 243 A CB 0.765 19.440 19.000 -0.542 0.000 1.278 243 A HN 0.556 nan 8.150 nan 0.000 0.408 244 P HA 0.445 nan 4.420 nan 0.000 0.271 244 P C -0.747 176.398 177.300 -0.259 0.000 1.233 244 P CA 0.080 63.043 63.100 -0.229 0.000 0.789 244 P CB 0.159 31.822 31.700 -0.062 0.000 0.951 245 F N 1.493 121.462 119.950 0.033 0.000 2.396 245 F HA 0.248 4.775 4.527 -0.000 0.000 0.343 245 F C -1.339 174.151 175.800 -0.515 0.000 1.104 245 F CA -2.097 55.803 58.000 -0.167 0.000 1.161 245 F CB 0.167 39.091 39.000 -0.125 0.000 1.146 245 F HN 0.194 nan 8.300 nan 0.000 0.522 246 P HA 0.028 nan 4.420 nan 0.000 0.252 246 P C -1.043 175.552 177.300 -1.175 0.000 1.694 246 P CA 0.652 63.077 63.100 -1.124 0.000 1.163 246 P CB -0.691 29.775 31.700 -2.057 0.000 1.934 247 F N 1.694 121.395 119.950 -0.416 0.000 2.536 247 F HA 0.592 5.119 4.527 -0.000 0.000 0.322 247 F C 1.088 176.573 175.800 -0.525 0.000 1.144 247 F CA -0.298 57.378 58.000 -0.541 0.000 0.924 247 F CB 2.245 40.928 39.000 -0.528 0.000 1.181 247 F HN 0.407 nan 8.300 nan 0.000 0.438 248 G N 2.467 111.027 108.800 -0.400 0.000 2.781 248 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.683 248 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.683 248 G C 0.557 175.521 174.900 0.105 0.000 1.390 248 G CA -0.161 44.899 45.100 -0.066 0.000 0.850 248 G HN 0.695 nan 8.290 nan 0.000 0.557 249 E N -0.074 120.281 120.200 0.258 0.000 2.086 249 E HA -0.224 4.126 4.350 -0.000 0.000 0.200 249 E C 2.047 178.802 176.600 0.259 0.000 1.012 249 E CA 2.307 58.901 56.400 0.324 0.000 0.812 249 E CB -0.117 29.727 29.700 0.240 0.000 0.743 249 E HN 0.704 nan 8.360 nan 0.000 0.453 250 E N -0.958 119.355 120.200 0.188 0.000 2.072 250 E HA -0.099 4.251 4.350 -0.000 0.000 0.190 250 E C 2.011 178.664 176.600 0.087 0.000 0.982 250 E CA 0.801 57.280 56.400 0.132 0.000 0.803 250 E CB -0.253 29.506 29.700 0.098 0.000 0.755 250 E HN 0.349 nan 8.360 nan 0.000 0.453 251 G N 0.299 109.134 108.800 0.058 0.000 2.511 251 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.216 251 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.216 251 G C 1.612 176.462 174.900 -0.083 0.000 1.218 251 G CA 1.536 46.625 45.100 -0.017 0.000 0.788 251 G HN 0.264 nan 8.290 nan 0.000 0.560 252 T N 1.038 115.449 114.554 -0.238 0.000 2.665 252 T HA -0.177 4.173 4.350 -0.000 0.000 0.268 252 T C 2.577 177.242 174.700 -0.058 0.000 1.035 252 T CA 1.978 63.849 62.100 -0.381 0.000 1.151 252 T CB -0.727 67.647 68.868 -0.822 0.000 0.862 252 T HN 0.321 nan 8.240 nan 0.000 0.438 253 T N 2.115 116.727 114.554 0.097 0.000 2.652 253 T HA -0.047 4.303 4.350 -0.000 0.000 0.267 253 T C 1.948 176.814 174.700 0.277 0.000 1.039 253 T CA 1.028 63.320 62.100 0.321 0.000 1.153 253 T CB -0.539 68.534 68.868 0.341 0.000 0.863 253 T HN 0.106 nan 8.240 nan 0.000 0.428 254 L N -0.652 120.658 121.223 0.146 0.000 2.131 254 L HA 0.003 4.343 4.340 -0.000 0.000 0.210 254 L C 2.118 179.008 176.870 0.032 0.000 1.092 254 L CA 1.345 56.219 54.840 0.058 0.000 0.759 254 L CB -0.547 41.520 42.059 0.012 0.000 0.903 254 L HN 0.389 nan 8.230 nan 0.000 0.435 255 W N 0.054 121.274 121.300 -0.133 0.000 2.353 255 W HA -0.221 4.439 4.660 -0.000 0.000 0.319 255 W C 2.290 178.762 176.519 -0.080 0.000 1.207 255 W CA 1.685 58.919 57.345 -0.185 0.000 1.291 255 W CB -0.229 29.049 29.460 -0.304 0.000 1.159 255 W HN -0.007 nan 8.180 nan 0.000 0.478 256 L N 0.715 122.135 121.223 0.329 0.000 2.191 256 L HA -0.193 4.147 4.340 -0.000 0.000 0.212 256 L C 2.348 179.320 176.870 0.171 0.000 1.103 256 L CA 1.413 56.443 54.840 0.316 0.000 0.769 256 L CB -0.929 41.428 42.059 0.497 0.000 0.908 256 L HN -0.065 nan 8.230 nan 0.000 0.438 257 K N 0.872 121.302 120.400 0.050 0.000 2.097 257 K HA -0.102 4.218 4.320 -0.000 0.000 0.205 257 K C 2.019 178.448 176.600 -0.284 0.000 1.050 257 K CA 1.473 57.558 56.287 -0.336 0.000 0.938 257 K CB -0.247 32.066 32.500 -0.311 0.000 0.718 257 K HN 0.212 nan 8.250 nan 0.000 0.442 258 A N -0.118 122.555 122.820 -0.245 0.000 1.969 258 A HA -0.043 4.277 4.320 -0.000 0.000 0.218 258 A C 2.163 179.605 177.584 -0.235 0.000 1.169 258 A CA 1.583 53.463 52.037 -0.262 0.000 0.635 258 A CB -0.468 18.333 19.000 -0.330 0.000 0.810 258 A HN 0.115 nan 8.150 nan 0.000 0.445 259 V N -0.304 119.452 119.914 -0.263 0.000 2.488 259 V HA -0.129 3.991 4.120 -0.000 0.000 0.246 259 V C 2.960 179.021 176.094 -0.054 0.000 1.046 259 V CA 1.514 63.697 62.300 -0.194 0.000 1.053 259 V CB -1.317 30.322 31.823 -0.306 0.000 0.679 259 V HN 0.561 nan 8.190 nan 0.000 0.458 260 A N 0.439 123.220 122.820 -0.065 0.000 1.865 260 A HA -0.259 4.061 4.320 -0.000 0.000 0.217 260 A C 2.015 179.578 177.584 -0.035 0.000 1.191 260 A CA 2.192 54.214 52.037 -0.025 0.000 0.623 260 A CB -0.660 18.272 19.000 -0.113 0.000 0.826 260 A HN 0.519 nan 8.150 nan 0.000 0.444 261 D N -0.193 120.140 120.400 -0.111 0.000 2.183 261 D HA 0.030 4.670 4.640 -0.000 0.000 0.203 261 D C 2.150 178.415 176.300 -0.059 0.000 0.969 261 D CA 1.332 55.271 54.000 -0.102 0.000 0.842 261 D CB -0.367 40.344 40.800 -0.147 0.000 0.957 261 D HN 0.429 nan 8.370 nan 0.000 0.484 262 A N -0.365 122.436 122.820 -0.032 0.000 2.015 262 A HA -0.141 4.179 4.320 -0.000 0.000 0.219 262 A C 1.629 179.196 177.584 -0.028 0.000 1.163 262 A CA 0.910 52.932 52.037 -0.024 0.000 0.646 262 A CB -0.625 18.377 19.000 0.004 0.000 0.806 262 A HN 0.281 nan 8.150 nan 0.000 0.448 263 Y N -1.316 118.935 120.300 -0.082 0.000 2.449 263 Y HA 0.339 4.889 4.550 -0.000 0.000 0.254 263 Y C 1.654 177.531 175.900 -0.039 0.000 1.140 263 Y CA 0.397 58.466 58.100 -0.053 0.000 1.272 263 Y CB 0.556 38.991 38.460 -0.040 0.000 1.114 263 Y HN 0.440 nan 8.280 nan 0.000 0.525 264 G N 0.929 109.764 108.800 0.057 0.000 2.171 264 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.238 264 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.238 264 G C -0.257 174.668 174.900 0.041 0.000 1.039 264 G CA 0.079 45.191 45.100 0.021 0.000 0.759 264 G HN 0.082 nan 8.290 nan 0.000 0.501 265 V N 1.362 121.311 119.914 0.059 0.000 2.637 265 V HA 0.504 4.624 4.120 -0.000 0.000 0.296 265 V C 1.458 177.582 176.094 0.049 0.000 1.046 265 V CA 0.227 62.569 62.300 0.070 0.000 1.066 265 V CB 1.321 33.209 31.823 0.109 0.000 0.968 265 V HN 1.027 nan 8.190 nan 0.000 0.483 266 S N 4.222 119.957 115.700 0.059 0.000 2.617 266 S HA 0.469 4.939 4.470 -0.000 0.000 0.259 266 S C 1.294 175.936 174.600 0.070 0.000 1.301 266 S CA -0.012 58.216 58.200 0.046 0.000 0.984 266 S CB 1.223 64.447 63.200 0.040 0.000 0.954 266 S HN 1.046 nan 8.310 nan 0.000 0.572 267 A N 1.134 123.984 122.820 0.050 0.000 1.834 267 A HA -0.091 4.229 4.320 -0.000 0.000 0.216 267 A C 2.054 179.707 177.584 0.114 0.000 1.203 267 A CA 1.917 53.995 52.037 0.067 0.000 0.621 267 A CB -1.684 17.338 19.000 0.037 0.000 0.841 267 A HN 0.928 nan 8.150 nan 0.000 0.446 268 E N -0.437 119.809 120.200 0.078 0.000 2.160 268 E HA -0.171 4.179 4.350 -0.000 0.000 0.195 268 E C 2.050 178.697 176.600 0.078 0.000 0.991 268 E CA 1.262 57.703 56.400 0.068 0.000 0.810 268 E CB -0.051 29.674 29.700 0.041 0.000 0.742 268 E HN 0.295 nan 8.360 nan 0.000 0.466 269 K N -0.270 120.185 120.400 0.092 0.000 2.148 269 K HA -0.068 4.252 4.320 -0.000 0.000 0.204 269 K C 1.765 178.437 176.600 0.121 0.000 1.050 269 K CA 0.793 57.133 56.287 0.087 0.000 0.942 269 K CB -0.363 32.188 32.500 0.085 0.000 0.724 269 K HN 0.190 nan 8.250 nan 0.000 0.446 270 F N 1.485 121.446 119.950 0.018 0.000 2.074 270 F HA -0.169 4.358 4.527 -0.000 0.000 0.293 270 F C 2.377 178.193 175.800 0.028 0.000 1.116 270 F CA 1.506 59.522 58.000 0.027 0.000 1.212 270 F CB -0.117 38.899 39.000 0.026 0.000 0.998 270 F HN 0.005 nan 8.300 nan 0.000 0.471 271 E N 0.902 121.175 120.200 0.122 0.000 2.114 271 E HA -0.271 4.079 4.350 -0.000 0.000 0.199 271 E C 2.086 178.643 176.600 -0.073 0.000 1.008 271 E CA 1.698 58.105 56.400 0.011 0.000 0.810 271 E CB -0.723 29.021 29.700 0.074 0.000 0.739 271 E HN 0.454 nan 8.360 nan 0.000 0.456 272 A N -0.318 122.478 122.820 -0.039 0.000 1.883 272 A HA -0.160 4.160 4.320 -0.000 0.000 0.217 272 A C 2.532 180.066 177.584 -0.084 0.000 1.186 272 A CA 1.862 53.871 52.037 -0.047 0.000 0.624 272 A CB -0.669 18.321 19.000 -0.017 0.000 0.822 272 A HN 0.200 nan 8.150 nan 0.000 0.444 273 V N -1.383 118.463 119.914 -0.114 0.000 2.591 273 V HA -0.111 4.009 4.120 -0.000 0.000 0.249 273 V C 2.582 178.566 176.094 -0.184 0.000 1.053 273 V CA 2.232 64.458 62.300 -0.125 0.000 1.068 273 V CB -0.497 31.266 31.823 -0.101 0.000 0.689 273 V HN 0.634 nan 8.190 nan 0.000 0.462 274 T N -0.660 113.713 114.554 -0.302 0.000 3.010 274 T HA 0.105 4.455 4.350 -0.000 0.000 0.252 274 T C 1.996 176.525 174.700 -0.285 0.000 1.047 274 T CA 1.133 63.020 62.100 -0.354 0.000 1.140 274 T CB -0.038 68.409 68.868 -0.702 0.000 0.885 274 T HN 0.471 nan 8.240 nan 0.000 0.464 275 A N 1.611 124.308 122.820 -0.205 0.000 1.873 275 A HA 0.056 4.376 4.320 -0.000 0.000 0.218 275 A C 2.628 180.111 177.584 -0.169 0.000 1.193 275 A CA 2.308 54.254 52.037 -0.150 0.000 0.629 275 A CB -1.387 17.558 19.000 -0.092 0.000 0.826 275 A HN 0.589 nan 8.150 nan 0.000 0.447 276 A N 0.046 122.775 122.820 -0.152 0.000 1.851 276 A HA -0.045 4.275 4.320 -0.000 0.000 0.216 276 A C 0.362 177.833 177.584 -0.189 0.000 1.195 276 A CA 1.927 53.883 52.037 -0.135 0.000 0.622 276 A CB -1.860 17.081 19.000 -0.098 0.000 0.831 276 A HN 0.447 nan 8.150 nan 0.000 0.444 277 P HA -0.159 nan 4.420 nan 0.000 0.216 277 P C 1.604 178.531 177.300 -0.621 0.000 1.150 277 P CA 1.274 64.145 63.100 -0.382 0.000 0.843 277 P CB -0.123 31.326 31.700 -0.419 0.000 0.787 278 R N -0.530 119.562 120.500 -0.681 0.000 2.061 278 R HA -0.041 4.299 4.340 -0.000 0.000 0.230 278 R C 2.319 178.491 176.300 -0.213 0.000 1.140 278 R CA 1.546 57.342 56.100 -0.506 0.000 0.940 278 R CB -1.304 28.816 30.300 -0.300 0.000 0.839 278 R HN 0.108 nan 8.270 nan 0.000 0.429 279 A N 1.565 124.289 122.820 -0.158 0.000 1.915 279 A HA -0.316 4.004 4.320 -0.000 0.000 0.220 279 A C 2.165 179.709 177.584 -0.067 0.000 1.198 279 A CA 2.176 54.162 52.037 -0.085 0.000 0.647 279 A CB -0.579 18.376 19.000 -0.076 0.000 0.825 279 A HN 0.263 nan 8.150 nan 0.000 0.456 280 R N -0.279 120.167 120.500 -0.088 0.000 2.070 280 R HA -0.046 4.294 4.340 -0.000 0.000 0.232 280 R C 2.300 178.590 176.300 -0.016 0.000 1.138 280 R CA 2.115 58.184 56.100 -0.052 0.000 0.936 280 R CB -0.822 29.442 30.300 -0.060 0.000 0.839 280 R HN 0.402 nan 8.270 nan 0.000 0.429 281 A N 0.845 123.657 122.820 -0.015 0.000 1.883 281 A HA -0.230 4.090 4.320 -0.000 0.000 0.217 281 A C 2.168 179.803 177.584 0.085 0.000 1.186 281 A CA 1.920 54.002 52.037 0.075 0.000 0.624 281 A CB -0.707 18.393 19.000 0.166 0.000 0.822 281 A HN 0.469 nan 8.150 nan 0.000 0.444 282 K N -0.217 120.217 120.400 0.056 0.000 2.160 282 K HA -0.222 4.098 4.320 -0.000 0.000 0.206 282 K C 2.107 178.730 176.600 0.038 0.000 1.047 282 K CA 1.947 58.269 56.287 0.058 0.000 0.930 282 K CB -0.131 32.389 32.500 0.033 0.000 0.720 282 K HN 0.546 nan 8.250 nan 0.000 0.450 283 K N -0.400 120.011 120.400 0.018 0.000 2.137 283 K HA 0.013 4.333 4.320 -0.000 0.000 0.202 283 K C 1.895 178.490 176.600 -0.007 0.000 1.052 283 K CA 0.860 57.147 56.287 0.001 0.000 0.961 283 K CB -0.040 32.455 32.500 -0.009 0.000 0.741 283 K HN 0.138 nan 8.250 nan 0.000 0.452 284 A N 1.567 124.395 122.820 0.012 0.000 1.902 284 A HA -0.103 4.217 4.320 -0.000 0.000 0.217 284 A C 2.045 179.630 177.584 0.001 0.000 1.181 284 A CA 1.416 53.457 52.037 0.006 0.000 0.623 284 A CB -0.612 18.424 19.000 0.059 0.000 0.818 284 A HN 0.353 nan 8.150 nan 0.000 0.443 285 I N -0.126 120.497 120.570 0.088 0.000 2.286 285 I HA -0.284 3.886 4.170 -0.000 0.000 0.248 285 I C 2.944 179.091 176.117 0.050 0.000 1.115 285 I CA 0.885 62.272 61.300 0.145 0.000 1.392 285 I CB -0.444 37.665 38.000 0.182 0.000 1.065 285 I HN 0.360 nan 8.210 nan 0.000 0.418 286 A N 1.222 124.043 122.820 0.003 0.000 1.873 286 A HA -0.280 4.040 4.320 -0.000 0.000 0.218 286 A C 2.612 180.157 177.584 -0.064 0.000 1.193 286 A CA 2.221 54.247 52.037 -0.019 0.000 0.629 286 A CB -1.058 17.931 19.000 -0.019 0.000 0.826 286 A HN 0.443 nan 8.150 nan 0.000 0.447 287 A N -1.235 121.490 122.820 -0.158 0.000 2.009 287 A HA -0.288 4.032 4.320 -0.000 0.000 0.222 287 A C 1.958 179.409 177.584 -0.222 0.000 1.175 287 A CA 2.113 54.005 52.037 -0.241 0.000 0.651 287 A CB -0.871 17.904 19.000 -0.375 0.000 0.815 287 A HN 0.744 nan 8.150 nan 0.000 0.459 288 H N -1.497 117.598 119.070 0.041 0.000 2.516 288 H HA 0.192 4.748 4.556 -0.000 0.000 0.284 288 H C 2.016 177.358 175.328 0.024 0.000 0.999 288 H CA 0.668 56.742 56.048 0.043 0.000 1.303 288 H CB -0.475 29.326 29.762 0.066 0.000 1.452 288 H HN 0.410 nan 8.280 nan 0.000 0.530 289 L N 1.173 122.461 121.223 0.107 0.000 2.123 289 L HA -0.307 4.033 4.340 -0.000 0.000 0.217 289 L C 2.674 179.569 176.870 0.042 0.000 1.081 289 L CA 1.607 56.476 54.840 0.047 0.000 0.772 289 L CB -0.232 41.838 42.059 0.018 0.000 0.890 289 L HN 0.216 nan 8.230 nan 0.000 0.437 290 E N 0.391 120.619 120.200 0.048 0.000 2.045 290 E HA -0.284 4.066 4.350 -0.000 0.000 0.212 290 E C 2.038 178.665 176.600 0.046 0.000 1.039 290 E CA 2.771 59.196 56.400 0.041 0.000 0.860 290 E CB -0.483 29.242 29.700 0.042 0.000 0.776 290 E HN 0.537 nan 8.360 nan 0.000 0.467 291 T N -2.177 112.416 114.554 0.066 0.000 3.081 291 T HA 0.063 4.413 4.350 -0.000 0.000 0.255 291 T C 1.597 176.327 174.700 0.051 0.000 1.113 291 T CA 0.372 62.507 62.100 0.059 0.000 1.082 291 T CB 0.037 68.947 68.868 0.070 0.000 0.939 291 T HN 0.056 nan 8.240 nan 0.000 0.506 292 L N 1.690 122.942 121.223 0.048 0.000 2.253 292 L HA 0.333 4.673 4.340 -0.000 0.000 0.205 292 L C 1.181 178.052 176.870 0.000 0.000 1.078 292 L CA 0.915 55.770 54.840 0.024 0.000 0.805 292 L CB -0.968 41.100 42.059 0.014 0.000 0.963 292 L HN 0.227 nan 8.230 nan 0.000 0.459 293 T N 0.050 114.604 114.554 0.000 0.000 2.902 293 T HA 0.385 4.735 4.350 -0.000 0.000 0.301 293 T C 1.178 175.875 174.700 -0.005 0.000 1.012 293 T CA 0.783 62.877 62.100 -0.010 0.000 1.151 293 T CB 0.567 69.432 68.868 -0.006 0.000 0.946 293 T HN 0.562 nan 8.240 nan 0.000 0.542 294 G N 2.762 111.555 108.800 -0.012 0.000 2.258 294 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.233 294 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.233 294 G C 0.207 175.104 174.900 -0.006 0.000 1.006 294 G CA -0.463 44.632 45.100 -0.009 0.000 0.620 294 G HN 0.596 nan 8.290 nan 0.000 0.511 295 K N 2.046 122.446 120.400 -0.001 0.000 2.401 295 K HA 0.416 4.736 4.320 -0.000 0.000 0.278 295 K C 0.929 177.533 176.600 0.007 0.000 1.018 295 K CA 0.601 56.894 56.287 0.010 0.000 0.981 295 K CB 1.235 33.748 32.500 0.022 0.000 0.933 295 K HN 0.724 nan 8.250 nan 0.000 0.477 296 S N 2.537 118.248 115.700 0.019 0.000 2.565 296 S HA 0.458 4.928 4.470 -0.000 0.000 0.274 296 S C -0.181 174.449 174.600 0.050 0.000 1.309 296 S CA -0.909 57.305 58.200 0.023 0.000 1.043 296 S CB 0.854 64.069 63.200 0.025 0.000 0.939 296 S HN 0.467 nan 8.310 nan 0.000 0.504 297 L N 2.731 123.983 121.223 0.049 0.000 2.381 297 L HA 0.841 5.181 4.340 -0.000 0.000 0.268 297 L C -1.454 175.492 176.870 0.127 0.000 0.997 297 L CA -0.789 54.099 54.840 0.080 0.000 0.818 297 L CB 1.928 43.995 42.059 0.013 0.000 1.310 297 L HN 0.890 nan 8.230 nan 0.000 0.416 298 F N 4.895 124.848 119.950 0.004 0.000 2.581 298 F HA 0.726 5.253 4.527 -0.000 0.000 0.311 298 F C -1.398 174.389 175.800 -0.022 0.000 1.113 298 F CA -0.669 57.310 58.000 -0.035 0.000 0.935 298 F CB 1.938 40.925 39.000 -0.022 0.000 1.232 298 F HN 0.373 nan 8.300 nan 0.000 0.445 299 M N 6.408 125.960 119.600 -0.080 0.000 2.263 299 M HA 0.380 4.860 4.480 -0.000 0.000 0.295 299 M C -1.404 174.880 176.300 -0.028 0.000 1.028 299 M CA -0.564 54.781 55.300 0.076 0.000 0.921 299 M CB 2.046 34.661 32.600 0.025 0.000 1.601 299 M HN 0.394 nan 8.290 nan 0.000 0.440 300 F N 3.484 123.578 119.950 0.240 0.000 2.406 300 F HA 0.394 4.921 4.527 -0.000 0.000 0.327 300 F C -1.671 174.182 175.800 0.088 0.000 1.153 300 F CA -1.456 56.651 58.000 0.178 0.000 1.218 300 F CB 0.376 39.456 39.000 0.133 0.000 1.215 300 F HN 0.294 nan 8.300 nan 0.000 0.570 301 P HA 0.128 nan 4.420 nan 0.000 0.281 301 P C -0.794 176.607 177.300 0.169 0.000 1.252 301 P CA 0.105 63.307 63.100 0.170 0.000 0.778 301 P CB 2.005 33.794 31.700 0.148 0.000 0.895 302 D N 1.141 121.642 120.400 0.169 0.000 2.574 302 D HA -0.049 4.591 4.640 -0.000 0.000 0.166 302 D C 1.336 177.826 176.300 0.318 0.000 1.445 302 D CA 0.656 54.769 54.000 0.187 0.000 1.453 302 D CB 0.049 40.930 40.800 0.136 0.000 1.814 302 D HN 0.441 nan 8.370 nan 0.000 0.327 303 S N -0.399 115.476 115.700 0.293 0.000 2.549 303 S HA 0.157 4.627 4.470 -0.000 0.000 0.225 303 S C 0.828 175.531 174.600 0.172 0.000 1.039 303 S CA 0.222 58.575 58.200 0.255 0.000 0.942 303 S CB 1.625 64.959 63.200 0.223 0.000 0.881 303 S HN 0.225 nan 8.310 nan 0.000 0.503 304 Q N -0.488 119.428 119.800 0.192 0.000 2.360 304 Q HA -0.145 4.195 4.340 -0.000 0.000 0.192 304 Q C 0.657 176.741 176.000 0.140 0.000 0.615 304 Q CA 1.177 57.095 55.803 0.191 0.000 1.355 304 Q CB -2.133 26.774 28.738 0.282 0.000 1.324 304 Q HN 0.546 nan 8.270 nan 0.000 0.885 305 L N 0.349 121.646 121.223 0.123 0.000 2.554 305 L HA -0.045 4.295 4.340 -0.000 0.000 0.226 305 L C 1.786 178.636 176.870 -0.033 0.000 1.137 305 L CA 0.645 55.493 54.840 0.014 0.000 0.863 305 L CB -0.005 42.031 42.059 -0.038 0.000 0.985 305 L HN 0.158 nan 8.230 nan 0.000 0.451 306 E N 0.698 120.910 120.200 0.020 0.000 2.058 306 E HA -0.212 4.138 4.350 -0.000 0.000 0.194 306 E C 2.143 178.738 176.600 -0.008 0.000 0.997 306 E CA 1.419 57.823 56.400 0.007 0.000 0.801 306 E CB -0.163 29.550 29.700 0.021 0.000 0.746 306 E HN 0.412 nan 8.360 nan 0.000 0.450 307 I N 1.170 121.748 120.570 0.013 0.000 2.142 307 I HA -0.169 4.001 4.170 -0.000 0.000 0.240 307 I C -0.641 175.513 176.117 0.061 0.000 1.078 307 I CA 1.057 62.375 61.300 0.029 0.000 1.343 307 I CB -1.785 36.241 38.000 0.044 0.000 1.046 307 I HN 0.145 nan 8.210 nan 0.000 0.405 308 P HA -0.156 nan 4.420 nan 0.000 0.215 308 P C 2.085 179.443 177.300 0.097 0.000 1.157 308 P CA 1.646 64.858 63.100 0.187 0.000 0.863 308 P CB -0.098 31.820 31.700 0.363 0.000 0.787 309 L N -0.749 120.423 121.223 -0.084 0.000 2.079 309 L HA -0.166 4.174 4.340 -0.000 0.000 0.210 309 L C 2.769 179.617 176.870 -0.037 0.000 1.081 309 L CA 1.668 56.424 54.840 -0.139 0.000 0.752 309 L CB -1.254 40.661 42.059 -0.240 0.000 0.896 309 L HN -0.031 nan 8.230 nan 0.000 0.433 310 A N 0.140 122.933 122.820 -0.045 0.000 1.858 310 A HA -0.243 4.077 4.320 -0.000 0.000 0.216 310 A C 2.462 180.031 177.584 -0.024 0.000 1.190 310 A CA 1.633 53.635 52.037 -0.058 0.000 0.617 310 A CB -0.642 18.330 19.000 -0.047 0.000 0.827 310 A HN 0.297 nan 8.150 nan 0.000 0.443 311 R N -0.635 119.886 120.500 0.036 0.000 2.112 311 R HA -0.235 4.105 4.340 -0.000 0.000 0.242 311 R C 1.955 178.296 176.300 0.068 0.000 1.137 311 R CA 2.558 58.698 56.100 0.066 0.000 0.944 311 R CB -1.127 29.232 30.300 0.098 0.000 0.857 311 R HN 0.547 nan 8.270 nan 0.000 0.435 312 F N 1.309 121.230 119.950 -0.048 0.000 2.075 312 F HA -0.152 4.375 4.527 -0.000 0.000 0.297 312 F C 2.223 177.962 175.800 -0.103 0.000 1.113 312 F CA 1.550 59.514 58.000 -0.060 0.000 1.218 312 F CB -0.605 38.360 39.000 -0.058 0.000 0.984 312 F HN 0.021 nan 8.300 nan 0.000 0.472 313 L N 0.133 121.082 121.223 -0.455 0.000 2.127 313 L HA -0.231 4.109 4.340 -0.000 0.000 0.211 313 L C 2.743 179.391 176.870 -0.370 0.000 1.089 313 L CA 1.257 55.743 54.840 -0.590 0.000 0.757 313 L CB -1.070 40.715 42.059 -0.456 0.000 0.899 313 L HN 0.362 nan 8.230 nan 0.000 0.434 314 A N -0.128 122.572 122.820 -0.200 0.000 1.898 314 A HA -0.095 4.225 4.320 -0.000 0.000 0.214 314 A C 2.326 179.894 177.584 -0.027 0.000 1.183 314 A CA 0.920 52.911 52.037 -0.076 0.000 0.622 314 A CB -0.224 18.785 19.000 0.016 0.000 0.824 314 A HN 0.315 nan 8.150 nan 0.000 0.444 315 R N -0.576 119.892 120.500 -0.053 0.000 2.210 315 R HA 0.088 4.428 4.340 -0.000 0.000 0.203 315 R C 1.463 177.707 176.300 -0.092 0.000 1.010 315 R CA 1.154 57.233 56.100 -0.036 0.000 1.008 315 R CB 0.061 30.287 30.300 -0.123 0.000 0.923 315 R HN 0.602 nan 8.270 nan 0.000 0.469 316 E N -0.829 119.241 120.200 -0.216 0.000 2.364 316 E HA 0.050 4.400 4.350 -0.000 0.000 0.203 316 E C 0.941 177.398 176.600 -0.238 0.000 0.888 316 E CA 0.321 56.595 56.400 -0.211 0.000 0.989 316 E CB 0.699 30.270 29.700 -0.215 0.000 0.985 316 E HN 0.214 nan 8.360 nan 0.000 0.499 317 C N 0.979 120.060 119.300 -0.365 0.000 2.884 317 C HA 0.374 4.834 4.460 -0.000 0.000 0.287 317 C C 1.393 176.292 174.990 -0.152 0.000 1.310 317 C CA -0.091 58.780 59.018 -0.246 0.000 1.725 317 C CB -0.624 26.916 27.740 -0.333 0.000 2.060 317 C HN 0.603 nan 8.230 nan 0.000 0.618 318 G N 2.109 110.834 108.800 -0.125 0.000 2.341 318 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.292 318 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.292 318 G C -0.020 174.844 174.900 -0.060 0.000 1.021 318 G CA 0.318 45.383 45.100 -0.060 0.000 0.905 318 G HN 0.606 nan 8.290 nan 0.000 0.508 319 M N -0.723 118.823 119.600 -0.091 0.000 2.247 319 M HA 0.343 4.823 4.480 -0.000 0.000 0.326 319 M C 0.759 177.028 176.300 -0.052 0.000 1.134 319 M CA 0.115 55.372 55.300 -0.072 0.000 1.136 319 M CB 0.958 33.496 32.600 -0.103 0.000 1.454 319 M HN 0.015 nan 8.290 nan 0.000 0.467 320 K N 1.640 122.017 120.400 -0.039 0.000 2.213 320 K HA 0.331 4.651 4.320 -0.000 0.000 0.270 320 K C -0.187 176.393 176.600 -0.034 0.000 1.002 320 K CA -0.459 55.806 56.287 -0.038 0.000 0.868 320 K CB 1.243 33.723 32.500 -0.034 0.000 1.093 320 K HN 0.711 nan 8.250 nan 0.000 0.454 321 T N -0.716 113.812 114.554 -0.043 0.000 2.909 321 T HA 0.273 4.623 4.350 -0.000 0.000 0.286 321 T C 0.994 175.663 174.700 -0.052 0.000 1.002 321 T CA -0.495 61.575 62.100 -0.050 0.000 1.074 321 T CB 1.479 70.312 68.868 -0.059 0.000 0.984 321 T HN 0.691 nan 8.240 nan 0.000 0.495 322 T N -0.401 114.114 114.554 -0.065 0.000 3.409 322 T HA 0.358 4.707 4.350 -0.000 0.000 0.188 322 T C 0.116 174.717 174.700 -0.165 0.000 0.929 322 T CA -0.337 61.725 62.100 -0.064 0.000 1.184 322 T CB -0.261 68.625 68.868 0.030 0.000 1.570 322 T HN 0.747 nan 8.240 nan 0.000 0.367 323 E N 0.753 120.736 120.200 -0.362 0.000 2.165 323 E HA 0.474 4.824 4.350 -0.000 0.000 0.266 323 E C -1.340 174.836 176.600 -0.707 0.000 0.889 323 E CA -0.865 55.196 56.400 -0.566 0.000 0.756 323 E CB 0.954 30.221 29.700 -0.722 0.000 1.131 323 E HN 0.359 nan 8.360 nan 0.000 0.411 324 I N 3.523 123.853 120.570 -0.401 0.000 2.330 324 I HA 0.413 4.583 4.170 -0.000 0.000 0.289 324 I C 0.103 176.075 176.117 -0.241 0.000 1.001 324 I CA -0.627 60.492 61.300 -0.302 0.000 1.193 324 I CB 0.586 38.490 38.000 -0.160 0.000 1.345 324 I HN 0.499 nan 8.210 nan 0.000 0.461 325 A N 4.625 127.306 122.820 -0.232 0.000 2.324 325 A HA 0.797 5.117 4.320 -0.000 0.000 0.330 325 A C -0.066 177.506 177.584 -0.020 0.000 1.165 325 A CA -0.481 51.484 52.037 -0.120 0.000 0.813 325 A CB 1.473 20.405 19.000 -0.114 0.000 1.197 325 A HN 0.643 nan 8.150 nan 0.000 0.484 326 T N 1.951 116.514 114.554 0.015 0.000 2.900 326 T HA 0.609 4.959 4.350 -0.000 0.000 0.295 326 T C -2.135 172.629 174.700 0.106 0.000 1.044 326 T CA -1.682 60.457 62.100 0.064 0.000 0.995 326 T CB 1.765 70.658 68.868 0.042 0.000 1.072 326 T HN 0.388 nan 8.240 nan 0.000 0.473 327 P HA 0.126 nan 4.420 nan 0.000 0.223 327 P C -0.141 177.332 177.300 0.288 0.000 1.151 327 P CA 0.589 63.807 63.100 0.197 0.000 0.787 327 P CB 0.085 31.912 31.700 0.211 0.000 0.788 328 F N 0.174 120.185 119.950 0.102 0.000 2.639 328 F HA 0.445 4.972 4.527 -0.000 0.000 0.326 328 F C -2.165 173.705 175.800 0.117 0.000 1.150 328 F CA -1.549 56.514 58.000 0.105 0.000 1.057 328 F CB 1.119 40.191 39.000 0.120 0.000 1.300 328 F HN -0.334 nan 8.300 nan 0.000 0.486 329 L N 7.111 127.889 121.223 -0.741 0.000 2.301 329 L HA 0.400 4.740 4.340 -0.000 0.000 0.278 329 L C -1.041 175.330 176.870 -0.832 0.000 1.022 329 L CA -0.302 54.194 54.840 -0.573 0.000 0.854 329 L CB 0.131 42.044 42.059 -0.242 0.000 1.226 329 L HN 0.738 nan 8.230 nan 0.000 0.429 330 H N 4.845 123.438 119.070 -0.794 0.000 3.017 330 H HA 0.120 4.676 4.556 -0.000 0.000 0.276 330 H C 0.418 175.667 175.328 -0.131 0.000 1.062 330 H CA 0.054 55.893 56.048 -0.349 0.000 1.486 330 H CB 1.112 30.896 29.762 0.035 0.000 1.507 330 H HN 0.599 nan 8.280 nan 0.000 0.508 331 K N 4.199 124.467 120.400 -0.220 0.000 1.991 331 K HA -0.128 4.192 4.320 -0.000 0.000 0.212 331 K C 2.046 178.680 176.600 0.056 0.000 1.049 331 K CA 1.431 57.671 56.287 -0.078 0.000 0.932 331 K CB -0.690 31.748 32.500 -0.103 0.000 0.717 331 K HN 0.639 nan 8.250 nan 0.000 0.441 332 A N 1.293 124.185 122.820 0.120 0.000 1.898 332 A HA -0.091 4.229 4.320 -0.000 0.000 0.216 332 A C 2.369 180.072 177.584 0.197 0.000 1.181 332 A CA 1.234 53.370 52.037 0.164 0.000 0.620 332 A CB -0.624 18.480 19.000 0.174 0.000 0.819 332 A HN 0.232 nan 8.150 nan 0.000 0.442 333 I N -0.664 120.110 120.570 0.341 0.000 2.286 333 I HA -0.223 3.947 4.170 -0.000 0.000 0.248 333 I C 1.919 178.164 176.117 0.214 0.000 1.115 333 I CA 0.984 62.402 61.300 0.198 0.000 1.392 333 I CB -0.142 37.922 38.000 0.107 0.000 1.065 333 I HN 0.249 nan 8.210 nan 0.000 0.418 334 M N -0.129 119.595 119.600 0.207 0.000 2.561 334 M HA 0.127 4.607 4.480 -0.000 0.000 0.238 334 M C 2.273 178.637 176.300 0.106 0.000 1.131 334 M CA 0.368 55.778 55.300 0.183 0.000 1.046 334 M CB -1.060 31.617 32.600 0.130 0.000 1.532 334 M HN 0.194 nan 8.290 nan 0.000 0.497 335 A N 1.698 124.559 122.820 0.069 0.000 1.883 335 A HA -0.099 4.221 4.320 -0.000 0.000 0.217 335 A C -0.288 177.303 177.584 0.011 0.000 1.186 335 A CA 1.526 53.581 52.037 0.030 0.000 0.624 335 A CB -1.906 17.103 19.000 0.015 0.000 0.822 335 A HN 0.305 nan 8.150 nan 0.000 0.444 336 P HA -0.114 nan 4.420 nan 0.000 0.216 336 P C 0.792 178.090 177.300 -0.004 0.000 1.153 336 P CA 1.334 64.410 63.100 -0.040 0.000 0.848 336 P CB -0.047 31.588 31.700 -0.108 0.000 0.787 337 D N -0.784 119.641 120.400 0.041 0.000 2.091 337 D HA -0.057 4.583 4.640 -0.000 0.000 0.199 337 D C 2.137 178.478 176.300 0.068 0.000 0.980 337 D CA 0.897 54.949 54.000 0.085 0.000 0.831 337 D CB -0.552 40.359 40.800 0.186 0.000 0.987 337 D HN 0.093 nan 8.370 nan 0.000 0.460 338 L N 1.115 122.377 121.223 0.065 0.000 2.051 338 L HA -0.252 4.088 4.340 -0.000 0.000 0.214 338 L C 2.519 179.414 176.870 0.043 0.000 1.076 338 L CA 1.424 56.292 54.840 0.048 0.000 0.758 338 L CB -0.383 41.697 42.059 0.034 0.000 0.890 338 L HN -0.007 nan 8.230 nan 0.000 0.433 339 A N -0.814 122.025 122.820 0.033 0.000 2.125 339 A HA -0.095 4.225 4.320 -0.000 0.000 0.219 339 A C 2.092 179.702 177.584 0.044 0.000 1.156 339 A CA 1.168 53.224 52.037 0.031 0.000 0.671 339 A CB -0.415 18.592 19.000 0.012 0.000 0.794 339 A HN 0.455 nan 8.150 nan 0.000 0.459 340 L N -0.830 120.414 121.223 0.035 0.000 2.554 340 L HA 0.226 4.566 4.340 -0.000 0.000 0.225 340 L C 0.477 177.402 176.870 0.092 0.000 1.104 340 L CA -0.296 54.551 54.840 0.011 0.000 0.866 340 L CB -0.082 41.955 42.059 -0.037 0.000 1.047 340 L HN 0.254 nan 8.230 nan 0.000 0.468 341 L N 2.783 124.073 121.223 0.112 0.000 2.490 341 L HA 0.089 4.429 4.340 -0.000 0.000 0.274 341 L C -1.717 175.278 176.870 0.208 0.000 1.201 341 L CA -1.617 53.305 54.840 0.137 0.000 0.869 341 L CB 0.460 42.561 42.059 0.070 0.000 1.123 341 L HN -0.166 nan 8.230 nan 0.000 0.484 342 P HA -0.064 nan 4.420 nan 0.000 0.257 342 P C 0.755 178.043 177.300 -0.021 0.000 1.189 342 P CA 0.118 63.243 63.100 0.042 0.000 0.780 342 P CB 0.470 32.152 31.700 -0.031 0.000 0.772 343 S N 3.366 119.041 115.700 -0.042 0.000 2.448 343 S HA -0.291 4.179 4.470 -0.000 0.000 0.247 343 S C 1.514 176.084 174.600 -0.050 0.000 1.033 343 S CA 1.633 59.811 58.200 -0.037 0.000 1.003 343 S CB -1.123 62.047 63.200 -0.049 0.000 0.786 343 S HN 0.611 nan 8.310 nan 0.000 0.495 344 N N 1.370 120.028 118.700 -0.071 0.000 2.396 344 N HA -0.089 4.651 4.740 -0.000 0.000 0.180 344 N C -0.069 175.408 175.510 -0.055 0.000 1.028 344 N CA 0.958 53.970 53.050 -0.064 0.000 0.893 344 N CB -1.123 37.319 38.487 -0.074 0.000 0.967 344 N HN 0.332 nan 8.380 nan 0.000 0.440 345 T N 1.394 115.917 114.554 -0.053 0.000 2.923 345 T HA 0.227 4.577 4.350 -0.000 0.000 0.304 345 T C 0.286 174.946 174.700 -0.066 0.000 1.044 345 T CA 0.117 62.181 62.100 -0.061 0.000 1.141 345 T CB 0.791 69.630 68.868 -0.049 0.000 1.023 345 T HN 0.399 nan 8.240 nan 0.000 0.533 346 A N 3.882 126.649 122.820 -0.090 0.000 2.276 346 A HA 0.672 4.992 4.320 -0.000 0.000 0.316 346 A C -0.230 177.285 177.584 -0.115 0.000 1.229 346 A CA -0.783 51.200 52.037 -0.090 0.000 0.851 346 A CB 0.295 19.241 19.000 -0.090 0.000 1.165 346 A HN 0.810 nan 8.150 nan 0.000 0.513 347 L N 1.873 123.045 121.223 -0.085 0.000 2.325 347 L HA 0.658 4.998 4.340 -0.000 0.000 0.278 347 L C -0.075 176.751 176.870 -0.074 0.000 1.023 347 L CA -0.350 54.439 54.840 -0.085 0.000 0.811 347 L CB 2.303 44.327 42.059 -0.058 0.000 1.249 347 L HN 0.673 nan 8.230 nan 0.000 0.431 348 T N 0.847 115.354 114.554 -0.078 0.000 2.881 348 T HA 0.307 4.657 4.350 -0.000 0.000 0.290 348 T C -0.871 173.815 174.700 -0.023 0.000 1.000 348 T CA -0.637 61.435 62.100 -0.046 0.000 0.978 348 T CB 2.117 70.954 68.868 -0.052 0.000 0.997 348 T HN 0.539 nan 8.240 nan 0.000 0.443 349 E N 1.623 121.823 120.200 -0.001 0.000 2.191 349 E HA 0.562 4.912 4.350 -0.000 0.000 0.278 349 E C 0.757 177.393 176.600 0.060 0.000 0.972 349 E CA 0.042 56.458 56.400 0.025 0.000 0.804 349 E CB 0.894 30.602 29.700 0.013 0.000 1.110 349 E HN 0.942 nan 8.360 nan 0.000 0.394 350 G N 2.936 111.792 108.800 0.093 0.000 2.525 350 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.248 350 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.248 350 G C -0.520 174.435 174.900 0.092 0.000 1.238 350 G CA 0.272 45.433 45.100 0.102 0.000 0.926 350 G HN 0.736 nan 8.290 nan 0.000 0.574 351 Q N -0.665 119.186 119.800 0.086 0.000 2.541 351 Q HA 0.443 4.783 4.340 -0.000 0.000 0.259 351 Q C -2.543 173.506 176.000 0.081 0.000 0.974 351 Q CA -0.530 55.330 55.803 0.096 0.000 0.955 351 Q CB 1.729 30.536 28.738 0.115 0.000 1.517 351 Q HN 0.717 nan 8.270 nan 0.000 0.412 352 D N 4.327 124.779 120.400 0.086 0.000 2.453 352 D HA 0.157 4.797 4.640 -0.000 0.000 0.238 352 D C 0.472 176.828 176.300 0.093 0.000 1.088 352 D CA -0.319 53.726 54.000 0.074 0.000 0.854 352 D CB 1.736 42.572 40.800 0.061 0.000 1.076 352 D HN 0.644 nan 8.370 nan 0.000 0.533 353 L N 4.501 125.769 121.223 0.074 0.000 1.989 353 L HA -0.159 4.181 4.340 -0.000 0.000 0.211 353 L C 1.989 178.903 176.870 0.074 0.000 1.071 353 L CA 1.808 56.692 54.840 0.073 0.000 0.749 353 L CB -0.099 41.964 42.059 0.007 0.000 0.890 353 L HN 0.406 nan 8.230 nan 0.000 0.431 354 E N -0.291 119.937 120.200 0.048 0.000 2.110 354 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 354 E C 2.188 178.827 176.600 0.065 0.000 0.988 354 E CA 1.331 57.757 56.400 0.043 0.000 0.804 354 E CB -0.477 29.239 29.700 0.027 0.000 0.745 354 E HN 0.637 nan 8.360 nan 0.000 0.458 355 A N 0.788 123.653 122.820 0.074 0.000 1.897 355 A HA -0.189 4.131 4.320 -0.000 0.000 0.215 355 A C 2.167 179.820 177.584 0.115 0.000 1.181 355 A CA 1.596 53.680 52.037 0.080 0.000 0.620 355 A CB -0.469 18.572 19.000 0.068 0.000 0.821 355 A HN 0.231 nan 8.150 nan 0.000 0.443 356 Q N -0.541 119.355 119.800 0.159 0.000 2.167 356 Q HA -0.018 4.322 4.340 -0.000 0.000 0.202 356 Q C 1.916 178.085 176.000 0.281 0.000 0.970 356 Q CA 0.971 56.916 55.803 0.237 0.000 0.855 356 Q CB -0.190 28.734 28.738 0.311 0.000 0.911 356 Q HN 0.678 nan 8.270 nan 0.000 0.438 357 L N 0.518 121.889 121.223 0.246 0.000 2.083 357 L HA -0.208 4.132 4.340 -0.000 0.000 0.209 357 L C 1.769 178.720 176.870 0.134 0.000 1.083 357 L CA 0.990 55.938 54.840 0.182 0.000 0.752 357 L CB -0.279 41.825 42.059 0.074 0.000 0.899 357 L HN 0.254 nan 8.230 nan 0.000 0.433 358 D N -0.187 120.277 120.400 0.107 0.000 2.097 358 D HA -0.136 4.504 4.640 -0.000 0.000 0.197 358 D C 2.336 178.682 176.300 0.076 0.000 0.984 358 D CA 1.022 55.069 54.000 0.078 0.000 0.826 358 D CB -0.053 40.785 40.800 0.063 0.000 0.973 358 D HN 0.160 nan 8.370 nan 0.000 0.460 359 R N -0.470 120.091 120.500 0.101 0.000 2.081 359 R HA -0.157 4.183 4.340 -0.000 0.000 0.235 359 R C 2.211 178.557 176.300 0.077 0.000 1.131 359 R CA 1.263 57.425 56.100 0.105 0.000 0.960 359 R CB -0.420 29.969 30.300 0.148 0.000 0.856 359 R HN 0.361 nan 8.270 nan 0.000 0.436 360 H N 1.075 120.089 119.070 -0.094 0.000 2.254 360 H HA -0.149 4.407 4.556 -0.000 0.000 0.294 360 H C 1.968 177.125 175.328 -0.285 0.000 1.071 360 H CA 2.099 57.880 56.048 -0.446 0.000 1.228 360 H CB -0.077 29.319 29.762 -0.611 0.000 1.358 360 H HN 0.100 nan 8.280 nan 0.000 0.495 361 E N 0.022 120.135 120.200 -0.145 0.000 2.086 361 E HA -0.314 4.036 4.350 -0.000 0.000 0.205 361 E C 2.353 178.906 176.600 -0.079 0.000 1.027 361 E CA 1.313 57.664 56.400 -0.082 0.000 0.830 361 E CB -0.526 29.207 29.700 0.056 0.000 0.751 361 E HN 0.648 nan 8.360 nan 0.000 0.456 362 A N 0.819 123.613 122.820 -0.043 0.000 1.908 362 A HA -0.196 4.124 4.320 -0.000 0.000 0.218 362 A C 2.216 179.776 177.584 -0.040 0.000 1.181 362 A CA 1.484 53.509 52.037 -0.020 0.000 0.627 362 A CB -0.589 18.414 19.000 0.005 0.000 0.818 362 A HN 0.227 nan 8.150 nan 0.000 0.445 363 I N -1.439 119.085 120.570 -0.078 0.000 2.333 363 I HA -0.147 4.023 4.170 -0.000 0.000 0.246 363 I C 0.774 176.828 176.117 -0.105 0.000 1.106 363 I CA 0.752 62.012 61.300 -0.066 0.000 1.411 363 I CB -0.413 37.577 38.000 -0.017 0.000 1.082 363 I HN 0.491 nan 8.210 nan 0.000 0.420 364 N N 1.265 119.837 118.700 -0.214 0.000 2.586 364 N HA -0.117 4.623 4.740 -0.000 0.000 0.282 364 N C -2.453 172.995 175.510 -0.104 0.000 1.171 364 N CA 0.035 52.993 53.050 -0.153 0.000 0.733 364 N CB -0.460 38.023 38.487 -0.008 0.000 0.910 364 N HN 0.182 nan 8.380 nan 0.000 0.548 365 P HA 0.335 nan 4.420 nan 0.000 0.284 365 P C 0.031 177.360 177.300 0.049 0.000 1.258 365 P CA -0.369 62.710 63.100 -0.035 0.000 0.824 365 P CB 0.903 32.605 31.700 0.003 0.000 1.038 366 D N 0.164 120.604 120.400 0.067 0.000 2.144 366 D HA -0.032 4.608 4.640 -0.000 0.000 0.200 366 D C 0.457 176.827 176.300 0.116 0.000 0.978 366 D CA 1.586 55.635 54.000 0.083 0.000 0.833 366 D CB -0.070 40.767 40.800 0.061 0.000 0.961 366 D HN 0.159 nan 8.370 nan 0.000 0.470 367 L N 0.025 121.328 121.223 0.134 0.000 2.410 367 L HA 0.368 4.708 4.340 -0.000 0.000 0.270 367 L C -1.162 175.842 176.870 0.223 0.000 0.983 367 L CA -0.287 54.656 54.840 0.172 0.000 0.822 367 L CB 2.384 44.544 42.059 0.168 0.000 1.285 367 L HN -0.290 nan 8.230 nan 0.000 0.409 368 T N 3.880 118.584 114.554 0.250 0.000 2.786 368 T HA 0.569 4.919 4.350 -0.000 0.000 0.283 368 T C -0.439 174.436 174.700 0.290 0.000 0.992 368 T CA -0.473 61.816 62.100 0.314 0.000 0.954 368 T CB 1.492 70.554 68.868 0.322 0.000 0.934 368 T HN 0.326 nan 8.240 nan 0.000 0.440 369 V N 3.725 123.830 119.914 0.318 0.000 2.546 369 V HA 0.651 4.771 4.120 -0.000 0.000 0.284 369 V C 0.591 176.894 176.094 0.347 0.000 1.050 369 V CA -0.325 62.136 62.300 0.267 0.000 0.981 369 V CB 0.438 32.409 31.823 0.247 0.000 0.990 369 V HN 1.277 nan 8.190 nan 0.000 0.474 370 C N 2.361 121.811 119.300 0.250 0.000 3.216 370 C HA 0.754 5.214 4.460 -0.000 0.000 0.346 370 C C 0.286 175.324 174.990 0.080 0.000 1.384 370 C CA -0.527 58.614 59.018 0.204 0.000 1.208 370 C CB 0.903 28.704 27.740 0.102 0.000 1.483 370 C HN 1.144 nan 8.230 nan 0.000 0.453 371 G N 0.432 109.210 108.800 -0.037 0.000 2.569 371 G HA2 0.455 4.415 3.960 -0.000 0.000 0.249 371 G HA3 0.455 4.415 3.960 -0.000 0.000 0.249 371 G C 0.444 175.309 174.900 -0.059 0.000 1.216 371 G CA -0.393 44.667 45.100 -0.068 0.000 0.845 371 G HN 0.921 nan 8.290 nan 0.000 0.568 372 L N 2.160 123.371 121.223 -0.019 0.000 2.191 372 L HA 0.025 4.365 4.340 -0.000 0.000 0.212 372 L C 2.841 179.648 176.870 -0.105 0.000 1.103 372 L CA 1.915 56.729 54.840 -0.043 0.000 0.769 372 L CB -1.040 41.004 42.059 -0.025 0.000 0.908 372 L HN 0.682 nan 8.230 nan 0.000 0.438 373 G N -1.876 106.835 108.800 -0.149 0.000 2.650 373 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.214 373 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.214 373 G C 1.465 176.262 174.900 -0.172 0.000 1.136 373 G CA 0.220 45.224 45.100 -0.160 0.000 0.789 373 G HN 0.320 nan 8.290 nan 0.000 0.536 374 L N 0.024 121.127 121.223 -0.201 0.000 2.575 374 L HA 0.546 4.886 4.340 -0.000 0.000 0.228 374 L C 2.712 179.465 176.870 -0.194 0.000 1.075 374 L CA 1.092 55.778 54.840 -0.257 0.000 0.867 374 L CB -0.142 41.668 42.059 -0.415 0.000 1.097 374 L HN 0.126 nan 8.230 nan 0.000 0.485 375 A N -0.126 122.621 122.820 -0.122 0.000 1.855 375 A HA -0.211 4.109 4.320 -0.000 0.000 0.215 375 A C 2.058 179.617 177.584 -0.043 0.000 1.191 375 A CA 2.063 54.069 52.037 -0.053 0.000 0.613 375 A CB -0.802 18.203 19.000 0.009 0.000 0.829 375 A HN 0.561 nan 8.150 nan 0.000 0.442 376 N N -0.181 118.483 118.700 -0.061 0.000 2.084 376 N HA -0.098 4.642 4.740 -0.000 0.000 0.190 376 N C -1.089 174.398 175.510 -0.037 0.000 1.030 376 N CA 1.542 54.563 53.050 -0.049 0.000 0.849 376 N CB -0.643 37.806 38.487 -0.064 0.000 1.012 376 N HN 0.309 nan 8.380 nan 0.000 0.423 377 P HA -0.146 nan 4.420 nan 0.000 0.217 377 P C 1.067 178.363 177.300 -0.007 0.000 1.148 377 P CA 0.852 63.927 63.100 -0.041 0.000 0.828 377 P CB 0.125 31.784 31.700 -0.069 0.000 0.783 378 L N -0.393 120.827 121.223 -0.005 0.000 2.072 378 L HA -0.100 4.240 4.340 -0.000 0.000 0.205 378 L C 2.292 179.241 176.870 0.132 0.000 1.079 378 L CA 1.799 56.693 54.840 0.089 0.000 0.752 378 L CB -1.480 40.590 42.059 0.018 0.000 0.906 378 L HN -0.054 nan 8.230 nan 0.000 0.436 379 E N -0.325 119.915 120.200 0.065 0.000 2.058 379 E HA -0.214 4.136 4.350 -0.000 0.000 0.194 379 E C 2.206 178.815 176.600 0.015 0.000 0.997 379 E CA 1.453 57.881 56.400 0.047 0.000 0.801 379 E CB -0.311 29.404 29.700 0.026 0.000 0.746 379 E HN 0.448 nan 8.360 nan 0.000 0.450 380 A N 1.347 124.170 122.820 0.004 0.000 2.024 380 A HA -0.157 4.163 4.320 -0.000 0.000 0.220 380 A C 1.921 179.492 177.584 -0.022 0.000 1.164 380 A CA 1.224 53.255 52.037 -0.011 0.000 0.643 380 A CB -0.169 18.824 19.000 -0.012 0.000 0.806 380 A HN -0.024 nan 8.150 nan 0.000 0.451 381 K N -1.239 119.155 120.400 -0.009 0.000 2.444 381 K HA 0.152 4.472 4.320 -0.000 0.000 0.193 381 K C 0.946 177.404 176.600 -0.237 0.000 1.024 381 K CA 0.702 56.958 56.287 -0.053 0.000 1.077 381 K CB -0.093 32.441 32.500 0.056 0.000 0.833 381 K HN 0.766 nan 8.250 nan 0.000 0.517 382 G N 1.731 110.418 108.800 -0.189 0.000 2.130 382 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.216 382 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.216 382 G C -0.582 174.139 174.900 -0.299 0.000 0.999 382 G CA -0.116 44.846 45.100 -0.229 0.000 0.686 382 G HN 0.501 nan 8.290 nan 0.000 0.515 383 H N 0.275 119.378 119.070 0.055 0.000 2.459 383 H HA 0.687 5.243 4.556 -0.000 0.000 0.332 383 H C 0.635 176.011 175.328 0.080 0.000 1.094 383 H CA 0.017 56.114 56.048 0.082 0.000 1.224 383 H CB 1.686 31.546 29.762 0.163 0.000 1.449 383 H HN 0.548 nan 8.280 nan 0.000 0.484 384 A N 2.840 125.772 122.820 0.186 0.000 2.440 384 A HA 0.474 4.794 4.320 -0.000 0.000 0.251 384 A C 0.200 177.886 177.584 0.171 0.000 1.089 384 A CA -0.113 52.010 52.037 0.143 0.000 0.779 384 A CB -0.103 18.965 19.000 0.114 0.000 1.022 384 A HN 0.812 nan 8.150 nan 0.000 0.492 385 T N -0.458 114.187 114.554 0.152 0.000 2.909 385 T HA 0.652 5.002 4.350 -0.000 0.000 0.299 385 T C -0.828 173.965 174.700 0.156 0.000 1.073 385 T CA -0.943 61.255 62.100 0.163 0.000 0.999 385 T CB 1.708 70.666 68.868 0.149 0.000 1.098 385 T HN 0.610 nan 8.240 nan 0.000 0.477 386 K N 2.952 123.430 120.400 0.131 0.000 2.507 386 K HA 0.368 4.688 4.320 -0.000 0.000 0.253 386 K C -0.249 176.356 176.600 0.009 0.000 0.969 386 K CA -1.125 55.166 56.287 0.008 0.000 0.908 386 K CB 0.395 32.805 32.500 -0.150 0.000 1.127 386 K HN 0.758 nan 8.250 nan 0.000 0.437 387 W N 4.225 125.497 121.300 -0.047 0.000 2.322 387 W HA 0.281 4.941 4.660 -0.000 0.000 0.328 387 W C 0.362 176.857 176.519 -0.040 0.000 1.395 387 W CA -0.278 57.046 57.345 -0.035 0.000 1.267 387 W CB -0.594 28.842 29.460 -0.039 0.000 1.259 387 W HN 0.647 nan 8.180 nan 0.000 0.560 388 A N 4.391 127.253 122.820 0.071 0.000 1.898 388 A HA -0.170 4.150 4.320 -0.000 0.000 0.216 388 A C 1.986 179.563 177.584 -0.012 0.000 1.181 388 A CA 1.609 53.640 52.037 -0.010 0.000 0.620 388 A CB -0.618 18.432 19.000 0.083 0.000 0.819 388 A HN 0.693 nan 8.150 nan 0.000 0.442 389 I N -0.030 120.626 120.570 0.143 0.000 2.479 389 I HA -0.319 3.851 4.170 -0.000 0.000 0.258 389 I C 2.324 178.563 176.117 0.204 0.000 1.165 389 I CA 1.754 63.205 61.300 0.252 0.000 1.422 389 I CB -0.319 37.873 38.000 0.320 0.000 1.087 389 I HN 0.505 nan 8.210 nan 0.000 0.441 390 E N 1.166 121.254 120.200 -0.187 0.000 2.110 390 E HA -0.207 4.143 4.350 -0.000 0.000 0.193 390 E C 2.193 178.683 176.600 -0.185 0.000 0.988 390 E CA 0.958 57.133 56.400 -0.375 0.000 0.804 390 E CB -0.074 28.910 29.700 -1.192 0.000 0.745 390 E HN 0.508 nan 8.360 nan 0.000 0.458 391 L N 0.260 121.350 121.223 -0.222 0.000 2.551 391 L HA -0.163 4.177 4.340 -0.000 0.000 0.230 391 L C 1.879 178.657 176.870 -0.153 0.000 1.163 391 L CA 0.288 55.014 54.840 -0.191 0.000 0.826 391 L CB -0.101 41.853 42.059 -0.175 0.000 0.943 391 L HN 0.117 nan 8.230 nan 0.000 0.452 392 V N -2.556 117.270 119.914 -0.148 0.000 3.085 392 V HA -0.022 4.098 4.120 -0.000 0.000 0.245 392 V C 1.786 177.593 176.094 -0.478 0.000 1.114 392 V CA 0.780 62.834 62.300 -0.410 0.000 1.108 392 V CB -0.228 31.133 31.823 -0.770 0.000 0.798 392 V HN 0.184 nan 8.190 nan 0.000 0.471 393 F N 0.761 120.599 119.950 -0.187 0.000 2.387 393 F HA 0.076 4.603 4.527 -0.000 0.000 0.294 393 F C 1.481 177.238 175.800 -0.070 0.000 1.093 393 F CA 0.599 58.537 58.000 -0.104 0.000 1.420 393 F CB -0.315 38.680 39.000 -0.009 0.000 1.086 393 F HN 0.018 nan 8.300 nan 0.000 0.531 394 T N 2.746 117.344 114.554 0.074 0.000 2.901 394 T HA 0.156 4.506 4.350 -0.000 0.000 0.301 394 T C -2.367 172.333 174.700 0.001 0.000 1.012 394 T CA -1.227 60.886 62.100 0.021 0.000 1.135 394 T CB 0.690 69.533 68.868 -0.041 0.000 0.936 394 T HN -0.234 nan 8.240 nan 0.000 0.539 395 P HA 0.167 nan 4.420 nan 0.000 0.268 395 P C 0.520 177.848 177.300 0.048 0.000 1.204 395 P CA -0.198 62.932 63.100 0.049 0.000 0.768 395 P CB 0.520 32.248 31.700 0.046 0.000 0.842 396 V N -0.538 119.429 119.914 0.088 0.000 3.264 396 V HA 0.195 4.315 4.120 -0.000 0.000 0.262 396 V C 0.320 176.418 176.094 0.005 0.000 1.616 396 V CA 0.099 62.406 62.300 0.012 0.000 1.033 396 V CB -1.108 30.666 31.823 -0.083 0.000 0.865 396 V HN 0.347 nan 8.190 nan 0.000 0.420 397 H N 0.623 119.697 119.070 0.007 0.000 2.607 397 H HA 0.655 5.211 4.556 -0.000 0.000 0.367 397 H C -0.226 175.015 175.328 -0.145 0.000 1.181 397 H CA 0.239 56.119 56.048 -0.280 0.000 1.402 397 H CB 0.063 29.588 29.762 -0.395 0.000 1.474 397 H HN 0.234 nan 8.280 nan 0.000 0.596 398 F N -1.995 117.761 119.950 -0.324 0.000 2.183 398 F HA -0.394 4.133 4.527 -0.000 0.000 0.318 398 F C 0.693 176.368 175.800 -0.209 0.000 0.132 398 F CA 0.331 58.108 58.000 -0.372 0.000 0.912 398 F CB -1.042 37.768 39.000 -0.316 0.000 4.135 398 F HN 0.521 nan 8.300 nan 0.000 0.137 399 Y N -0.321 120.079 120.300 0.167 0.000 2.089 399 Y HA -0.163 4.387 4.550 -0.000 0.000 0.282 399 Y C 2.300 178.237 175.900 0.061 0.000 1.139 399 Y CA 1.889 60.037 58.100 0.081 0.000 1.123 399 Y CB -0.617 37.885 38.460 0.070 0.000 0.980 399 Y HN 0.422 nan 8.280 nan 0.000 0.493 400 E N 0.074 120.409 120.200 0.226 0.000 2.118 400 E HA -0.218 4.132 4.350 -0.000 0.000 0.195 400 E C 1.888 178.556 176.600 0.114 0.000 0.992 400 E CA 1.411 57.893 56.400 0.136 0.000 0.804 400 E CB -0.250 29.506 29.700 0.094 0.000 0.741 400 E HN 0.528 nan 8.360 nan 0.000 0.458 401 Q N -0.503 119.361 119.800 0.106 0.000 2.403 401 Q HA 0.177 4.517 4.340 -0.000 0.000 0.203 401 Q C 1.646 177.690 176.000 0.073 0.000 0.932 401 Q CA 0.670 56.522 55.803 0.080 0.000 0.945 401 Q CB 0.110 28.888 28.738 0.068 0.000 1.045 401 Q HN 0.232 nan 8.270 nan 0.000 0.511 402 A N 0.201 123.074 122.820 0.088 0.000 1.969 402 A HA -0.024 4.296 4.320 -0.000 0.000 0.218 402 A C 2.125 179.824 177.584 0.192 0.000 1.169 402 A CA 1.497 53.584 52.037 0.083 0.000 0.635 402 A CB -0.891 18.181 19.000 0.121 0.000 0.810 402 A HN 0.440 nan 8.150 nan 0.000 0.445 403 G N 0.117 109.034 108.800 0.195 0.000 2.414 403 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.215 403 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.215 403 G C 1.128 176.205 174.900 0.295 0.000 1.188 403 G CA 1.077 46.334 45.100 0.262 0.000 0.783 403 G HN 0.465 nan 8.290 nan 0.000 0.537 404 D N 0.395 120.906 120.400 0.184 0.000 2.133 404 D HA -0.131 4.509 4.640 -0.000 0.000 0.195 404 D C 2.411 178.757 176.300 0.077 0.000 0.997 404 D CA 0.804 54.876 54.000 0.120 0.000 0.840 404 D CB -0.348 40.498 40.800 0.076 0.000 0.947 404 D HN 0.217 nan 8.370 nan 0.000 0.452 405 L N 1.396 122.673 121.223 0.091 0.000 1.971 405 L HA -0.176 4.164 4.340 -0.000 0.000 0.215 405 L C 2.276 179.319 176.870 0.288 0.000 1.072 405 L CA 2.166 57.068 54.840 0.104 0.000 0.758 405 L CB -1.082 40.949 42.059 -0.048 0.000 0.889 405 L HN 0.003 nan 8.230 nan 0.000 0.433 406 A N -0.538 122.482 122.820 0.333 0.000 1.908 406 A HA -0.133 4.187 4.320 -0.000 0.000 0.218 406 A C 2.382 179.927 177.584 -0.065 0.000 1.181 406 A CA 1.804 54.012 52.037 0.286 0.000 0.627 406 A CB -1.713 17.488 19.000 0.336 0.000 0.818 406 A HN 0.583 nan 8.150 nan 0.000 0.445 407 G N -0.316 108.234 108.800 -0.417 0.000 2.469 407 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.220 407 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.220 407 G C 1.339 176.107 174.900 -0.220 0.000 1.136 407 G CA 1.267 46.021 45.100 -0.576 0.000 0.759 407 G HN 0.359 nan 8.290 nan 0.000 0.562 408 L N -0.365 120.770 121.223 -0.146 0.000 2.081 408 L HA 0.023 4.363 4.340 -0.000 0.000 0.212 408 L C 2.449 179.059 176.870 -0.433 0.000 1.080 408 L CA 1.335 55.982 54.840 -0.322 0.000 0.754 408 L CB -0.812 40.961 42.059 -0.477 0.000 0.893 408 L HN 0.328 nan 8.230 nan 0.000 0.433 409 F N -1.945 117.930 119.950 -0.126 0.000 2.656 409 F HA 0.007 4.534 4.527 -0.000 0.000 0.291 409 F C 2.536 178.294 175.800 -0.070 0.000 1.122 409 F CA 0.613 58.564 58.000 -0.081 0.000 1.427 409 F CB -0.622 38.348 39.000 -0.051 0.000 1.125 409 F HN 0.093 nan 8.300 nan 0.000 0.583 410 S N 0.579 116.309 115.700 0.050 0.000 2.406 410 S HA -0.166 4.304 4.470 -0.000 0.000 0.228 410 S C 2.077 176.688 174.600 0.018 0.000 1.020 410 S CA 0.709 58.920 58.200 0.019 0.000 0.965 410 S CB -0.460 62.720 63.200 -0.033 0.000 0.798 410 S HN 0.333 nan 8.310 nan 0.000 0.488 411 R N 2.782 123.270 120.500 -0.020 0.000 2.094 411 R HA -0.023 4.317 4.340 -0.000 0.000 0.239 411 R C -0.645 175.674 176.300 0.032 0.000 1.137 411 R CA 2.149 58.253 56.100 0.006 0.000 0.943 411 R CB -1.298 28.996 30.300 -0.010 0.000 0.850 411 R HN 0.433 nan 8.270 nan 0.000 0.433 412 P HA -0.141 nan 4.420 nan 0.000 0.219 412 P C 1.250 178.588 177.300 0.063 0.000 1.150 412 P CA 1.312 64.447 63.100 0.060 0.000 0.814 412 P CB -0.036 31.706 31.700 0.069 0.000 0.787 413 L N -0.602 120.660 121.223 0.065 0.000 2.056 413 L HA -0.057 4.283 4.340 -0.000 0.000 0.207 413 L C 2.941 179.844 176.870 0.055 0.000 1.078 413 L CA 1.255 56.134 54.840 0.065 0.000 0.749 413 L CB -0.578 41.523 42.059 0.071 0.000 0.901 413 L HN -0.138 nan 8.230 nan 0.000 0.433 414 R N -0.381 120.152 120.500 0.055 0.000 2.148 414 R HA -0.151 4.189 4.340 -0.000 0.000 0.227 414 R C 2.270 178.597 176.300 0.046 0.000 1.103 414 R CA 0.875 57.007 56.100 0.053 0.000 0.983 414 R CB -0.285 30.051 30.300 0.061 0.000 0.874 414 R HN 0.357 nan 8.270 nan 0.000 0.451 415 R N 0.836 121.364 120.500 0.046 0.000 2.075 415 R HA -0.009 4.331 4.340 -0.000 0.000 0.226 415 R C 2.200 178.521 176.300 0.036 0.000 1.114 415 R CA 0.900 57.025 56.100 0.041 0.000 0.972 415 R CB 0.073 30.400 30.300 0.045 0.000 0.869 415 R HN 0.060 nan 8.270 nan 0.000 0.437 416 R N -0.169 120.355 120.500 0.040 0.000 2.092 416 R HA -0.030 4.310 4.340 -0.000 0.000 0.231 416 R C 2.225 178.542 176.300 0.028 0.000 1.119 416 R CA 1.180 57.300 56.100 0.033 0.000 0.970 416 R CB -0.195 30.128 30.300 0.038 0.000 0.864 416 R HN 0.231 nan 8.270 nan 0.000 0.440 417 A N 0.884 123.723 122.820 0.031 0.000 1.908 417 A HA -0.186 4.134 4.320 -0.000 0.000 0.218 417 A C 2.003 179.601 177.584 0.023 0.000 1.181 417 A CA 1.224 53.277 52.037 0.027 0.000 0.627 417 A CB -0.406 18.613 19.000 0.031 0.000 0.818 417 A HN 0.233 nan 8.150 nan 0.000 0.445 418 L N -0.702 120.536 121.223 0.026 0.000 2.240 418 L HA 0.114 4.454 4.340 -0.000 0.000 0.211 418 L C 1.661 178.542 176.870 0.019 0.000 1.106 418 L CA 1.044 55.898 54.840 0.023 0.000 0.793 418 L CB -0.116 41.959 42.059 0.027 0.000 0.927 418 L HN 0.372 nan 8.230 nan 0.000 0.446 419 L N -0.723 120.511 121.223 0.018 0.000 2.645 419 L HA 0.131 4.471 4.340 -0.000 0.000 0.234 419 L C 0.031 176.907 176.870 0.010 0.000 1.165 419 L CA -0.099 54.748 54.840 0.013 0.000 0.944 419 L CB -0.695 41.372 42.059 0.013 0.000 1.149 419 L HN 0.275 nan 8.230 nan 0.000 0.446 420 N N 0.000 118.707 118.700 0.011 0.000 1.763 420 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 420 N CA 0.000 53.055 53.050 0.008 0.000 0.885 420 N CB 0.000 38.492 38.487 0.008 0.000 1.341 420 N HN 0.000 nan 8.380 nan 0.000 0.667