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 3dmk_1_A DATA FIRST_RESID 1 DATA SEQUENCE QKGPVFLKEP TNRIDFSNST GAEIEcKASG NPMPEIIWIR SDGTAVGDVP DATA SEQUENCE GLRQISSDGK LVFPPFRAED YRQEVHAQVY AcLARNQFGS IISRDVHVRA DATA SEQUENCE VVAQYYEADV NKEHVIRGNS AVIKcLIPSF VADFVEVVSW HTDEEENYFP DATA SEQUENCE GAEYDGKYLV LPSGELHIRE VGPEDGYKSY QcRTKHRLTG ETRLSATKGR DATA SEQUENCE LVITEPISSA VPKVVSLAKF DMKTYSGSST MALLcPAQGY PVPVFRWYKF DATA SEQUENCE IEGTTRKQAV VLNDRVKQVS GTLIIKDAVV EDSGKYLcVV NNSVGGESVE DATA SEQUENCE TVLTVTAPLS AKIDPPTQTV DFGRPAVFTc QYTGNPIKTV SWMKDGKAIG DATA SEQUENCE HSESVLRIES VKKEDKGMYQ cFVRNDRESA EASAELKLGG RFDPPVIRQA DATA SEQUENCE FQEETMEPGP SVFLKcVAGG NPTPEISWEL DGKKIANNDR YQVGQYVTVN DATA SEQUENCE GDVVSYLNIT SVHANDGGLY KcIAKSKVGV AEHSAKLNVY GLPYIRQMEK DATA SEQUENCE KAIVAGETLI VTcPVAGYPI DSIVWERDNR ALPINRKQKV FPNGTLIIEN DATA SEQUENCE VERNSDQATY TcVAKNQEGY SARGSLEVQV MVLPRIIPFA FEEGPAQVGQ DATA SEQUENCE YLTLHcSVPG GDLPLNIDWT LDGQAISEDL GITTSRVGRR GSVLTIEAVE DATA SEQUENCE ASHAGNFTcH ARNLAGHQQF TTPLNVYVPP RWILEPTDKA FAQGSDAKVE DATA SEQUENCE cKADGFPKPQ VTWKKAVGDT PGEYKDLKKS DNIRVEEGTL HVDNIQKTNE DATA SEQUENCE GYYLcEAING IGSGLSAVIM ISVQA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 Q HA 0.000 nan 4.340 nan 0.000 0.214 1 Q C 0.000 175.810 176.000 -0.316 0.000 1.003 1 Q CA 0.000 55.740 55.803 -0.104 0.000 1.022 1 Q CB 0.000 28.711 28.738 -0.045 0.000 1.108 2 K N -0.231 119.923 120.400 -0.411 0.000 2.543 2 K HA 0.540 4.860 4.320 0.000 0.000 0.255 2 K C -0.668 175.685 176.600 -0.412 0.000 0.934 2 K CA -0.174 55.867 56.287 -0.411 0.000 0.810 2 K CB 1.645 34.022 32.500 -0.204 0.000 1.315 2 K HN 0.168 nan 8.250 nan 0.000 0.433 3 G N 3.047 111.610 108.800 -0.395 0.000 2.606 3 G HA2 0.286 4.246 3.960 0.000 0.000 0.252 3 G HA3 0.286 4.246 3.960 0.000 0.000 0.252 3 G C -2.375 172.443 174.900 -0.138 0.000 1.206 3 G CA -0.905 44.073 45.100 -0.204 0.000 0.861 3 G HN 0.410 nan 8.290 nan 0.000 0.561 4 P HA 0.289 nan 4.420 nan 0.000 0.272 4 P C -0.705 176.483 177.300 -0.186 0.000 1.223 4 P CA -0.177 62.824 63.100 -0.165 0.000 0.784 4 P CB 1.758 33.333 31.700 -0.209 0.000 0.923 5 V N 3.389 123.182 119.914 -0.203 0.000 2.851 5 V HA 0.391 4.511 4.120 0.000 0.000 0.307 5 V C -1.264 174.739 176.094 -0.151 0.000 1.129 5 V CA -0.893 61.316 62.300 -0.152 0.000 0.932 5 V CB 1.426 33.216 31.823 -0.054 0.000 1.024 5 V HN 0.204 nan 8.190 nan 0.000 0.426 6 F N 6.261 126.198 119.950 -0.022 0.000 2.506 6 F HA 0.354 4.881 4.527 0.000 0.000 0.371 6 F C 1.135 176.923 175.800 -0.020 0.000 1.078 6 F CA 0.169 58.151 58.000 -0.029 0.000 1.195 6 F CB 1.022 40.002 39.000 -0.032 0.000 1.099 6 F HN 0.406 nan 8.300 nan 0.000 0.548 7 L N 2.312 123.643 121.223 0.180 0.000 2.408 7 L HA 0.164 4.504 4.340 0.000 0.000 0.215 7 L C 0.439 177.368 176.870 0.098 0.000 1.081 7 L CA 0.464 55.366 54.840 0.104 0.000 0.840 7 L CB 0.148 42.243 42.059 0.060 0.000 1.002 7 L HN 0.441 nan 8.230 nan 0.000 0.468 8 K N 0.886 121.362 120.400 0.126 0.000 2.690 8 K HA 0.248 4.568 4.320 0.000 0.000 0.264 8 K C -1.032 175.594 176.600 0.043 0.000 1.040 8 K CA -0.245 56.085 56.287 0.072 0.000 0.946 8 K CB 1.326 33.866 32.500 0.066 0.000 1.268 8 K HN -0.056 nan 8.250 nan 0.000 0.473 9 E N 3.233 123.398 120.200 -0.058 0.000 2.250 9 E HA 0.379 4.729 4.350 0.000 0.000 0.265 9 E C -2.293 174.278 176.600 -0.048 0.000 1.033 9 E CA -2.158 54.138 56.400 -0.174 0.000 0.888 9 E CB 0.887 30.375 29.700 -0.354 0.000 1.151 9 E HN 0.354 nan 8.360 nan 0.000 0.412 10 P HA 0.062 nan 4.420 nan 0.000 0.276 10 P C -0.626 176.695 177.300 0.035 0.000 1.252 10 P CA -0.443 62.705 63.100 0.079 0.000 0.802 10 P CB 0.346 32.171 31.700 0.208 0.000 1.035 11 T N -2.009 112.580 114.554 0.058 0.000 2.813 11 T HA 0.115 4.465 4.350 0.000 0.000 0.297 11 T C 1.084 175.828 174.700 0.074 0.000 1.036 11 T CA -0.320 61.810 62.100 0.050 0.000 1.044 11 T CB -0.008 68.896 68.868 0.060 0.000 0.993 11 T HN 0.267 nan 8.240 nan 0.000 0.535 12 N N 0.045 118.790 118.700 0.074 0.000 2.166 12 N HA -0.050 4.690 4.740 0.000 0.000 0.186 12 N C 0.405 176.061 175.510 0.243 0.000 1.019 12 N CA 0.727 53.862 53.050 0.141 0.000 0.856 12 N CB 0.129 38.686 38.487 0.116 0.000 0.993 12 N HN 0.258 nan 8.380 nan 0.000 0.426 13 R N 0.915 121.513 120.500 0.162 0.000 2.480 13 R HA 0.347 4.687 4.340 0.000 0.000 0.306 13 R C -1.173 175.222 176.300 0.158 0.000 0.958 13 R CA -0.469 55.730 56.100 0.165 0.000 0.861 13 R CB 1.772 32.132 30.300 0.101 0.000 1.171 13 R HN 0.037 nan 8.270 nan 0.000 0.445 14 I N 3.855 124.539 120.570 0.191 0.000 2.466 14 I HA 0.225 4.395 4.170 0.000 0.000 0.279 14 I C -0.663 175.626 176.117 0.286 0.000 1.033 14 I CA -0.525 60.896 61.300 0.201 0.000 1.123 14 I CB 1.619 39.715 38.000 0.160 0.000 1.237 14 I HN 0.396 nan 8.210 nan 0.000 0.460 15 D N 8.021 128.583 120.400 0.270 0.000 2.192 15 D HA 0.665 5.305 4.640 0.000 0.000 0.246 15 D C -0.563 175.929 176.300 0.320 0.000 1.042 15 D CA 0.086 54.228 54.000 0.236 0.000 0.847 15 D CB 2.397 43.329 40.800 0.219 0.000 1.186 15 D HN 0.332 nan 8.370 nan 0.000 0.461 16 F N -1.609 118.310 119.950 -0.051 0.000 2.713 16 F HA 0.441 4.968 4.527 0.000 0.000 0.311 16 F C -0.637 175.105 175.800 -0.097 0.000 1.141 16 F CA -1.210 56.759 58.000 -0.051 0.000 0.939 16 F CB 0.966 39.970 39.000 0.006 0.000 1.325 16 F HN 0.166 nan 8.300 nan 0.000 0.453 17 S N 0.581 116.269 115.700 -0.020 0.000 2.617 17 S HA 0.207 4.678 4.470 0.000 0.000 0.283 17 S C 0.639 175.128 174.600 -0.186 0.000 1.189 17 S CA -0.230 57.858 58.200 -0.186 0.000 1.036 17 S CB 1.373 64.475 63.200 -0.163 0.000 1.014 17 S HN 0.922 nan 8.310 nan 0.000 0.522 18 N N 1.879 120.316 118.700 -0.440 0.000 2.364 18 N HA -0.136 4.605 4.740 0.000 0.000 0.183 18 N C 0.999 176.212 175.510 -0.495 0.000 1.022 18 N CA 1.365 53.896 53.050 -0.864 0.000 0.883 18 N CB -0.660 37.062 38.487 -1.276 0.000 0.965 18 N HN 0.510 nan 8.380 nan 0.000 0.438 19 S N -0.702 114.839 115.700 -0.265 0.000 2.501 19 S HA 0.063 4.533 4.470 0.000 0.000 0.220 19 S C 1.627 176.202 174.600 -0.042 0.000 0.997 19 S CA 0.550 58.667 58.200 -0.138 0.000 0.919 19 S CB 0.146 63.274 63.200 -0.121 0.000 0.778 19 S HN 0.475 nan 8.310 nan 0.000 0.523 20 T N 0.843 115.399 114.554 0.003 0.000 2.901 20 T HA 0.401 4.751 4.350 0.000 0.000 0.252 20 T C 1.049 175.821 174.700 0.120 0.000 1.035 20 T CA 0.842 62.979 62.100 0.062 0.000 1.142 20 T CB -0.407 68.511 68.868 0.083 0.000 0.869 20 T HN 0.599 nan 8.240 nan 0.000 0.442 21 G N 0.977 109.938 108.800 0.268 0.000 2.829 21 G HA2 0.312 4.272 3.960 0.000 0.000 0.628 21 G HA3 0.312 4.272 3.960 0.000 0.000 0.628 21 G C -0.512 174.347 174.900 -0.069 0.000 1.412 21 G CA -0.643 44.635 45.100 0.295 0.000 0.864 21 G HN 1.052 nan 8.290 nan 0.000 0.544 22 A N -0.026 122.529 122.820 -0.442 0.000 2.604 22 A HA 0.879 5.200 4.320 0.000 0.000 0.295 22 A C -0.441 176.954 177.584 -0.315 0.000 1.067 22 A CA 0.523 52.162 52.037 -0.663 0.000 0.683 22 A CB 1.607 19.594 19.000 -1.688 0.000 1.281 22 A HN 1.949 nan 8.150 nan 0.000 0.407 23 E N 0.943 121.024 120.200 -0.198 0.000 2.293 23 E HA 0.718 5.069 4.350 0.000 0.000 0.270 23 E C -1.137 175.417 176.600 -0.078 0.000 0.879 23 E CA -0.798 55.529 56.400 -0.122 0.000 0.756 23 E CB 1.908 31.550 29.700 -0.096 0.000 1.208 23 E HN 0.843 nan 8.360 nan 0.000 0.428 24 I N -0.458 120.063 120.570 -0.080 0.000 2.439 24 I HA 0.480 4.650 4.170 0.000 0.000 0.285 24 I C -0.598 175.581 176.117 0.103 0.000 1.021 24 I CA -0.906 60.401 61.300 0.011 0.000 1.091 24 I CB 1.754 39.780 38.000 0.043 0.000 1.242 24 I HN 0.590 nan 8.210 nan 0.000 0.439 25 E N 5.871 126.168 120.200 0.163 0.000 2.174 25 E HA 0.374 4.724 4.350 0.000 0.000 0.282 25 E C -1.544 175.219 176.600 0.271 0.000 0.992 25 E CA -0.631 55.895 56.400 0.209 0.000 0.803 25 E CB 1.856 31.623 29.700 0.111 0.000 1.090 25 E HN 0.861 nan 8.360 nan 0.000 0.396 26 c N 6.899 125.697 118.600 0.330 0.000 2.291 26 c HA 0.434 5.005 4.570 0.000 0.000 0.322 26 c C -0.705 173.451 174.090 0.110 0.000 1.205 26 c CA -0.787 55.632 56.329 0.150 0.000 1.495 26 c CB 0.018 42.454 42.510 -0.122 0.000 2.127 26 c HN 0.606 nan 8.230 nan 0.000 0.452 27 K N 4.499 124.968 120.400 0.116 0.000 2.235 27 K HA 0.737 5.057 4.320 0.000 0.000 0.266 27 K C -0.643 176.024 176.600 0.110 0.000 0.980 27 K CA 0.070 56.411 56.287 0.091 0.000 0.849 27 K CB 1.595 34.138 32.500 0.073 0.000 1.098 27 K HN 0.859 nan 8.250 nan 0.000 0.445 28 A N 2.565 125.407 122.820 0.036 0.000 2.365 28 A HA 0.493 4.814 4.320 0.000 0.000 0.318 28 A C -0.744 176.803 177.584 -0.063 0.000 1.091 28 A CA -0.626 51.383 52.037 -0.048 0.000 0.763 28 A CB 1.482 20.357 19.000 -0.209 0.000 1.248 28 A HN 0.658 nan 8.150 nan 0.000 0.442 29 S N 0.853 116.509 115.700 -0.073 0.000 2.593 29 S HA 0.901 5.371 4.470 0.000 0.000 0.297 29 S C 0.131 174.679 174.600 -0.087 0.000 1.112 29 S CA 0.337 58.501 58.200 -0.059 0.000 1.043 29 S CB 1.404 64.584 63.200 -0.034 0.000 1.054 29 S HN 2.254 nan 8.310 nan 0.000 0.516 30 G N 1.616 110.375 108.800 -0.069 0.000 2.340 30 G HA2 0.383 4.343 3.960 0.000 0.000 0.299 30 G HA3 0.383 4.343 3.960 0.000 0.000 0.299 30 G C -1.836 173.030 174.900 -0.057 0.000 1.291 30 G CA -0.822 44.231 45.100 -0.077 0.000 0.841 30 G HN 0.852 nan 8.290 nan 0.000 0.500 31 N N 0.648 119.311 118.700 -0.061 0.000 2.812 31 N HA 0.425 5.165 4.740 0.000 0.000 0.262 31 N C -3.110 172.407 175.510 0.011 0.000 1.241 31 N CA -0.972 52.058 53.050 -0.033 0.000 0.854 31 N CB 2.698 41.153 38.487 -0.053 0.000 1.506 31 N HN 0.230 nan 8.380 nan 0.000 0.576 32 P HA -0.015 nan 4.420 nan 0.000 0.270 32 P C -0.134 177.174 177.300 0.013 0.000 1.223 32 P CA -0.157 62.971 63.100 0.046 0.000 0.785 32 P CB 0.612 32.350 31.700 0.063 0.000 0.923 33 M N 3.804 123.406 119.600 0.002 0.000 2.474 33 M HA 0.072 4.553 4.480 0.000 0.000 0.352 33 M C -2.025 174.264 176.300 -0.017 0.000 1.690 33 M CA -1.187 54.106 55.300 -0.012 0.000 1.112 33 M CB -0.139 32.456 32.600 -0.007 0.000 2.062 33 M HN 0.172 nan 8.290 nan 0.000 0.461 34 P HA 0.153 nan 4.420 nan 0.000 0.277 34 P C -1.335 175.938 177.300 -0.045 0.000 1.240 34 P CA -0.240 62.831 63.100 -0.048 0.000 0.798 34 P CB 0.436 32.081 31.700 -0.090 0.000 0.979 35 E N 1.478 121.654 120.200 -0.040 0.000 2.349 35 E HA 0.402 4.752 4.350 0.000 0.000 0.265 35 E C -0.827 175.738 176.600 -0.058 0.000 1.064 35 E CA -0.735 55.645 56.400 -0.033 0.000 0.886 35 E CB 0.343 30.032 29.700 -0.019 0.000 1.036 35 E HN 0.210 nan 8.360 nan 0.000 0.413 36 I N 2.856 123.396 120.570 -0.049 0.000 2.428 36 I HA 0.264 4.434 4.170 0.000 0.000 0.279 36 I C -0.520 175.546 176.117 -0.084 0.000 1.040 36 I CA -0.230 61.008 61.300 -0.102 0.000 1.171 36 I CB 0.680 38.622 38.000 -0.097 0.000 1.312 36 I HN 0.461 nan 8.210 nan 0.000 0.470 37 I N 4.035 124.550 120.570 -0.092 0.000 2.359 37 I HA 0.285 4.455 4.170 0.000 0.000 0.294 37 I C -0.708 175.376 176.117 -0.055 0.000 0.987 37 I CA -0.599 60.695 61.300 -0.009 0.000 1.225 37 I CB 1.110 39.120 38.000 0.017 0.000 1.366 37 I HN 0.447 nan 8.210 nan 0.000 0.466 38 W N 7.081 128.399 121.300 0.030 0.000 2.351 38 W HA 0.527 5.187 4.660 0.000 0.000 0.311 38 W C 0.151 176.717 176.519 0.078 0.000 1.168 38 W CA -0.372 57.003 57.345 0.050 0.000 1.200 38 W CB 0.973 30.432 29.460 -0.001 0.000 1.221 38 W HN 0.289 nan 8.180 nan 0.000 0.519 39 I N 0.029 120.786 120.570 0.312 0.000 2.863 39 I HA 0.695 4.865 4.170 0.000 0.000 0.311 39 I C -0.149 176.135 176.117 0.278 0.000 1.026 39 I CA -1.486 59.952 61.300 0.231 0.000 1.077 39 I CB 1.857 39.936 38.000 0.133 0.000 1.262 39 I HN 0.343 nan 8.210 nan 0.000 0.461 40 R N 1.194 121.801 120.500 0.179 0.000 2.782 40 R HA 0.369 4.709 4.340 0.000 0.000 0.258 40 R C 1.423 177.751 176.300 0.047 0.000 1.055 40 R CA 0.180 56.346 56.100 0.110 0.000 1.065 40 R CB 1.780 32.124 30.300 0.073 0.000 1.172 40 R HN 0.989 nan 8.270 nan 0.000 0.510 41 S N 0.762 116.452 115.700 -0.017 0.000 2.390 41 S HA -0.296 4.175 4.470 0.000 0.000 0.234 41 S C 1.200 175.803 174.600 0.006 0.000 1.063 41 S CA 2.252 60.443 58.200 -0.016 0.000 1.108 41 S CB -0.673 62.501 63.200 -0.044 0.000 0.975 41 S HN 0.840 nan 8.310 nan 0.000 0.442 42 D N 0.372 120.775 120.400 0.005 0.000 2.269 42 D HA 0.306 4.946 4.640 0.000 0.000 0.208 42 D C 1.569 177.877 176.300 0.014 0.000 0.963 42 D CA 0.971 54.976 54.000 0.009 0.000 0.864 42 D CB -0.718 40.086 40.800 0.006 0.000 0.936 42 D HN 0.773 nan 8.370 nan 0.000 0.505 43 G N -1.192 107.623 108.800 0.025 0.000 2.336 43 G HA2 -0.207 3.753 3.960 0.000 0.000 0.194 43 G HA3 -0.207 3.753 3.960 0.000 0.000 0.194 43 G C 0.430 175.351 174.900 0.035 0.000 0.999 43 G CA 0.053 45.169 45.100 0.027 0.000 0.669 43 G HN 0.541 nan 8.290 nan 0.000 0.482 44 T N 1.399 115.976 114.554 0.037 0.000 2.918 44 T HA 0.571 4.921 4.350 0.000 0.000 0.302 44 T C 0.893 175.634 174.700 0.069 0.000 1.045 44 T CA 0.933 63.059 62.100 0.043 0.000 1.114 44 T CB 0.643 69.532 68.868 0.035 0.000 0.965 44 T HN 1.441 nan 8.240 nan 0.000 0.540 45 A N 4.128 126.988 122.820 0.068 0.000 2.409 45 A HA 0.487 4.807 4.320 0.000 0.000 0.267 45 A C 0.582 178.231 177.584 0.108 0.000 1.127 45 A CA -0.632 51.461 52.037 0.094 0.000 0.795 45 A CB -0.195 18.848 19.000 0.073 0.000 1.061 45 A HN 1.091 nan 8.150 nan 0.000 0.502 46 V N 2.200 122.211 119.914 0.162 0.000 2.637 46 V HA 0.631 4.752 4.120 0.000 0.000 0.296 46 V C 0.774 176.921 176.094 0.088 0.000 1.046 46 V CA 0.063 62.458 62.300 0.158 0.000 1.066 46 V CB 0.310 32.288 31.823 0.258 0.000 0.968 46 V HN 1.078 nan 8.190 nan 0.000 0.483 47 G N 2.807 111.638 108.800 0.051 0.000 2.568 47 G HA2 0.528 4.488 3.960 0.000 0.000 0.293 47 G HA3 0.528 4.488 3.960 0.000 0.000 0.293 47 G C -1.072 173.806 174.900 -0.036 0.000 1.347 47 G CA -0.660 44.445 45.100 0.009 0.000 1.039 47 G HN 0.791 nan 8.290 nan 0.000 0.523 48 D N -1.650 118.719 120.400 -0.051 0.000 2.277 48 D HA 0.552 5.192 4.640 0.000 0.000 0.250 48 D C -0.479 175.774 176.300 -0.077 0.000 1.032 48 D CA 0.019 53.966 54.000 -0.089 0.000 0.947 48 D CB 2.038 42.790 40.800 -0.080 0.000 1.159 48 D HN 0.096 nan 8.370 nan 0.000 0.460 49 V N 2.749 122.602 119.914 -0.102 0.000 2.501 49 V HA 0.270 4.391 4.120 0.000 0.000 0.277 49 V C -2.445 173.601 176.094 -0.079 0.000 1.004 49 V CA -1.578 60.671 62.300 -0.084 0.000 0.862 49 V CB 1.477 33.240 31.823 -0.099 0.000 1.035 49 V HN 0.436 nan 8.190 nan 0.000 0.448 50 P HA 0.199 nan 4.420 nan 0.000 0.255 50 P C 1.137 178.424 177.300 -0.021 0.000 1.173 50 P CA 1.879 64.956 63.100 -0.037 0.000 0.780 50 P CB 0.383 32.069 31.700 -0.023 0.000 0.758 51 G N 2.563 111.354 108.800 -0.015 0.000 2.349 51 G HA2 -0.257 3.703 3.960 0.000 0.000 0.213 51 G HA3 -0.257 3.703 3.960 0.000 0.000 0.213 51 G C 0.711 175.634 174.900 0.038 0.000 1.044 51 G CA 0.102 45.217 45.100 0.026 0.000 0.633 51 G HN 0.445 nan 8.290 nan 0.000 0.506 52 L N -0.422 120.783 121.223 -0.029 0.000 2.262 52 L HA 0.460 4.800 4.340 0.000 0.000 0.197 52 L C 1.386 178.187 176.870 -0.115 0.000 1.073 52 L CA 0.694 55.484 54.840 -0.083 0.000 0.800 52 L CB 0.191 42.119 42.059 -0.218 0.000 0.987 52 L HN 0.240 nan 8.230 nan 0.000 0.470 53 R N 0.569 120.951 120.500 -0.197 0.000 2.538 53 R HA 0.423 4.763 4.340 0.000 0.000 0.292 53 R C -1.541 174.555 176.300 -0.341 0.000 1.008 53 R CA -0.334 55.543 56.100 -0.372 0.000 0.896 53 R CB 1.733 31.810 30.300 -0.371 0.000 1.187 53 R HN 0.105 nan 8.270 nan 0.000 0.440 54 Q N 4.527 124.072 119.800 -0.425 0.000 2.323 54 Q HA 0.410 4.750 4.340 0.000 0.000 0.271 54 Q C -0.780 175.002 176.000 -0.363 0.000 1.048 54 Q CA -0.774 54.848 55.803 -0.302 0.000 0.792 54 Q CB 3.109 31.727 28.738 -0.202 0.000 1.280 54 Q HN 0.555 nan 8.270 nan 0.000 0.441 55 I N 1.650 122.065 120.570 -0.258 0.000 2.301 55 I HA 0.207 4.377 4.170 0.000 0.000 0.292 55 I C 0.260 176.309 176.117 -0.114 0.000 1.046 55 I CA 0.079 61.252 61.300 -0.211 0.000 1.282 55 I CB 1.207 39.148 38.000 -0.100 0.000 1.409 55 I HN 0.499 nan 8.210 nan 0.000 0.484 56 S N 3.779 119.416 115.700 -0.105 0.000 2.748 56 S HA 0.511 4.981 4.470 0.000 0.000 0.299 56 S C 0.317 174.921 174.600 0.006 0.000 1.119 56 S CA -0.508 57.661 58.200 -0.052 0.000 0.997 56 S CB 1.239 64.397 63.200 -0.069 0.000 1.223 56 S HN 0.569 nan 8.310 nan 0.000 0.541 57 S N 1.293 116.998 115.700 0.009 0.000 2.617 57 S HA 0.200 4.671 4.470 0.000 0.000 0.259 57 S C 0.048 174.678 174.600 0.049 0.000 1.301 57 S CA 0.042 58.259 58.200 0.027 0.000 0.984 57 S CB 0.048 63.257 63.200 0.015 0.000 0.954 57 S HN 0.860 nan 8.310 nan 0.000 0.572 58 D N -0.081 120.349 120.400 0.051 0.000 2.911 58 D HA -0.163 4.478 4.640 0.000 0.000 0.227 58 D C 0.811 177.173 176.300 0.104 0.000 1.164 58 D CA 1.585 55.621 54.000 0.060 0.000 0.782 58 D CB -1.488 39.341 40.800 0.049 0.000 1.094 58 D HN 1.171 nan 8.370 nan 0.000 0.425 59 G N 0.190 109.075 108.800 0.143 0.000 2.283 59 G HA2 -0.370 3.590 3.960 0.000 0.000 0.280 59 G HA3 -0.370 3.590 3.960 0.000 0.000 0.280 59 G C 0.201 175.387 174.900 0.478 0.000 1.029 59 G CA 0.757 46.026 45.100 0.281 0.000 0.840 59 G HN 0.533 nan 8.290 nan 0.000 0.505 60 K N -0.236 120.313 120.400 0.248 0.000 2.267 60 K HA 0.434 4.754 4.320 0.000 0.000 0.282 60 K C 0.008 176.535 176.600 -0.122 0.000 1.078 60 K CA -0.838 55.514 56.287 0.108 0.000 0.903 60 K CB 1.304 33.817 32.500 0.021 0.000 1.111 60 K HN 0.164 nan 8.250 nan 0.000 0.475 61 L N 5.002 125.951 121.223 -0.457 0.000 2.260 61 L HA 0.224 4.565 4.340 0.000 0.000 0.289 61 L C -0.935 175.487 176.870 -0.747 0.000 1.057 61 L CA -0.283 53.975 54.840 -0.970 0.000 0.811 61 L CB 1.101 41.983 42.059 -1.962 0.000 1.184 61 L HN 0.250 nan 8.230 nan 0.000 0.429 62 V N 6.333 125.833 119.914 -0.691 0.000 2.435 62 V HA 0.415 4.535 4.120 0.000 0.000 0.290 62 V C -0.529 175.164 176.094 -0.670 0.000 1.030 62 V CA -0.260 61.744 62.300 -0.494 0.000 0.881 62 V CB 1.304 32.962 31.823 -0.274 0.000 0.983 62 V HN 0.539 nan 8.190 nan 0.000 0.445 63 F N 5.833 125.670 119.950 -0.189 0.000 2.359 63 F HA 0.484 5.011 4.527 0.000 0.000 0.370 63 F C -2.201 173.654 175.800 0.092 0.000 1.077 63 F CA -2.388 55.596 58.000 -0.027 0.000 1.136 63 F CB 1.053 40.121 39.000 0.114 0.000 1.387 63 F HN 0.345 nan 8.300 nan 0.000 0.468 64 P HA 0.207 nan 4.420 nan 0.000 0.274 64 P C -2.528 175.013 177.300 0.401 0.000 1.256 64 P CA -1.390 61.839 63.100 0.215 0.000 0.795 64 P CB 0.072 31.845 31.700 0.121 0.000 1.038 65 P HA 0.159 nan 4.420 nan 0.000 0.268 65 P C -0.835 176.686 177.300 0.369 0.000 1.208 65 P CA 0.551 63.814 63.100 0.272 0.000 0.777 65 P CB 0.013 31.782 31.700 0.114 0.000 0.875 66 F N -1.688 118.309 119.950 0.078 0.000 2.741 66 F HA 0.631 5.158 4.527 0.000 0.000 0.313 66 F C -0.796 175.019 175.800 0.025 0.000 1.153 66 F CA -1.449 56.590 58.000 0.065 0.000 0.931 66 F CB 1.192 40.256 39.000 0.107 0.000 1.335 66 F HN 0.025 nan 8.300 nan 0.000 0.460 67 R N 0.616 121.213 120.500 0.163 0.000 2.573 67 R HA 0.709 5.049 4.340 0.000 0.000 0.272 67 R C 0.759 177.132 176.300 0.121 0.000 1.009 67 R CA -0.389 55.735 56.100 0.040 0.000 1.059 67 R CB 1.522 31.864 30.300 0.071 0.000 1.112 67 R HN 0.928 nan 8.270 nan 0.000 0.517 68 A N 1.922 124.757 122.820 0.024 0.000 1.873 68 A HA -0.294 4.026 4.320 0.000 0.000 0.218 68 A C 1.984 179.668 177.584 0.167 0.000 1.193 68 A CA 2.200 54.273 52.037 0.060 0.000 0.629 68 A CB -0.792 18.203 19.000 -0.009 0.000 0.826 68 A HN 0.957 nan 8.150 nan 0.000 0.447 69 E N -0.515 119.761 120.200 0.127 0.000 2.171 69 E HA -0.260 4.090 4.350 0.000 0.000 0.197 69 E C 0.795 177.503 176.600 0.180 0.000 0.997 69 E CA 1.468 57.946 56.400 0.131 0.000 0.810 69 E CB -0.540 29.213 29.700 0.088 0.000 0.738 69 E HN 0.569 nan 8.360 nan 0.000 0.467 70 D N 0.059 120.604 120.400 0.242 0.000 2.347 70 D HA -0.082 4.558 4.640 0.000 0.000 0.215 70 D C 0.047 176.501 176.300 0.258 0.000 0.976 70 D CA 0.306 54.453 54.000 0.246 0.000 0.884 70 D CB -0.281 40.695 40.800 0.294 0.000 0.915 70 D HN 0.254 nan 8.370 nan 0.000 0.526 71 Y N 2.205 122.656 120.300 0.252 0.000 2.620 71 Y HA 0.025 4.575 4.550 0.000 0.000 0.330 71 Y C 0.022 176.010 175.900 0.146 0.000 1.186 71 Y CA 0.274 58.498 58.100 0.207 0.000 1.467 71 Y CB 0.318 38.924 38.460 0.243 0.000 1.262 71 Y HN -0.295 nan 8.280 nan 0.000 0.550 72 R N 6.036 126.226 120.500 -0.516 0.000 2.510 72 R HA 0.069 4.409 4.340 0.000 0.000 0.294 72 R C 0.665 176.614 176.300 -0.585 0.000 1.056 72 R CA -0.688 55.166 56.100 -0.409 0.000 0.918 72 R CB 1.735 31.922 30.300 -0.188 0.000 1.187 72 R HN 0.870 nan 8.270 nan 0.000 0.437 73 Q N 2.797 122.358 119.800 -0.399 0.000 2.062 73 Q HA -0.300 4.040 4.340 0.000 0.000 0.209 73 Q C 1.280 177.183 176.000 -0.162 0.000 0.996 73 Q CA 2.681 58.360 55.803 -0.207 0.000 0.859 73 Q CB 0.179 28.915 28.738 -0.003 0.000 0.920 73 Q HN 0.736 nan 8.270 nan 0.000 0.415 74 E N -1.112 119.010 120.200 -0.130 0.000 2.169 74 E HA -0.230 4.121 4.350 0.000 0.000 0.202 74 E C 1.756 178.299 176.600 -0.096 0.000 1.016 74 E CA 1.919 58.260 56.400 -0.097 0.000 0.817 74 E CB -0.232 29.425 29.700 -0.072 0.000 0.736 74 E HN 0.280 nan 8.360 nan 0.000 0.462 75 V N 0.069 119.891 119.914 -0.154 0.000 2.690 75 V HA -0.041 4.079 4.120 0.000 0.000 0.240 75 V C 1.418 177.435 176.094 -0.129 0.000 1.078 75 V CA 1.350 63.590 62.300 -0.099 0.000 1.102 75 V CB -0.254 31.380 31.823 -0.315 0.000 0.800 75 V HN 0.294 nan 8.190 nan 0.000 0.479 76 H N -0.135 118.809 119.070 -0.210 0.000 2.539 76 H HA 0.545 5.102 4.556 0.000 0.000 0.269 76 H C 0.681 175.943 175.328 -0.109 0.000 0.980 76 H CA 0.598 56.506 56.048 -0.233 0.000 1.152 76 H CB 0.348 29.867 29.762 -0.405 0.000 1.407 76 H HN 0.399 nan 8.280 nan 0.000 0.564 77 A N 0.985 123.807 122.820 0.004 0.000 3.409 77 A HA 0.346 4.666 4.320 0.000 0.000 0.282 77 A C -0.584 176.990 177.584 -0.016 0.000 1.064 77 A CA -0.481 51.588 52.037 0.053 0.000 0.889 77 A CB 0.386 19.467 19.000 0.135 0.000 1.251 77 A HN 0.205 nan 8.150 nan 0.000 0.538 78 Q N -0.109 119.646 119.800 -0.075 0.000 2.456 78 Q HA 0.636 4.977 4.340 0.000 0.000 0.283 78 Q C -1.576 174.233 176.000 -0.318 0.000 1.084 78 Q CA -0.488 55.151 55.803 -0.273 0.000 0.801 78 Q CB 2.324 30.729 28.738 -0.555 0.000 1.434 78 Q HN 0.367 nan 8.270 nan 0.000 0.419 79 V N 4.303 124.018 119.914 -0.332 0.000 2.304 79 V HA 0.357 4.478 4.120 0.000 0.000 0.262 79 V C -0.811 175.128 176.094 -0.259 0.000 1.061 79 V CA -0.364 61.799 62.300 -0.229 0.000 0.872 79 V CB -0.684 31.059 31.823 -0.134 0.000 1.077 79 V HN 0.628 nan 8.190 nan 0.000 0.480 80 Y N 2.368 122.710 120.300 0.070 0.000 2.458 80 Y HA 0.807 5.357 4.550 0.000 0.000 0.322 80 Y C 0.499 176.508 175.900 0.182 0.000 1.259 80 Y CA -0.667 57.533 58.100 0.168 0.000 1.302 80 Y CB 1.665 40.272 38.460 0.245 0.000 1.314 80 Y HN 0.626 nan 8.280 nan 0.000 0.509 81 A N 0.256 123.358 122.820 0.469 0.000 2.540 81 A HA 0.471 4.791 4.320 0.000 0.000 0.297 81 A C -1.550 176.150 177.584 0.193 0.000 1.056 81 A CA -0.843 51.363 52.037 0.281 0.000 0.700 81 A CB 0.443 19.538 19.000 0.157 0.000 1.280 81 A HN 0.898 nan 8.150 nan 0.000 0.398 82 c N 3.375 121.880 118.600 -0.157 0.000 2.435 82 c HA 0.739 5.309 4.570 0.000 0.000 0.375 82 c C -0.293 173.685 174.090 -0.187 0.000 1.281 82 c CA -0.305 55.614 56.329 -0.682 0.000 1.963 82 c CB -0.367 41.505 42.510 -1.064 0.000 2.490 82 c HN 1.112 nan 8.230 nan 0.000 0.557 83 L N 7.218 128.325 121.223 -0.194 0.000 2.345 83 L HA 0.726 5.066 4.340 0.000 0.000 0.274 83 L C 0.063 176.870 176.870 -0.106 0.000 0.999 83 L CA -0.222 54.600 54.840 -0.031 0.000 0.849 83 L CB 0.734 42.784 42.059 -0.015 0.000 1.220 83 L HN 0.908 nan 8.230 nan 0.000 0.422 84 A N 5.796 128.532 122.820 -0.140 0.000 2.301 84 A HA 0.892 5.212 4.320 0.000 0.000 0.312 84 A C -0.337 177.116 177.584 -0.217 0.000 1.182 84 A CA -0.599 51.291 52.037 -0.246 0.000 0.826 84 A CB 0.654 19.384 19.000 -0.449 0.000 1.134 84 A HN 0.813 nan 8.150 nan 0.000 0.501 85 R N 1.848 122.260 120.500 -0.146 0.000 2.561 85 R HA 0.369 4.709 4.340 0.000 0.000 0.266 85 R C -1.705 174.558 176.300 -0.061 0.000 1.091 85 R CA -0.486 55.555 56.100 -0.098 0.000 0.927 85 R CB 1.277 31.536 30.300 -0.068 0.000 1.240 85 R HN 0.968 nan 8.270 nan 0.000 0.449 86 N N 1.491 120.173 118.700 -0.031 0.000 2.577 86 N HA 0.084 4.824 4.740 0.000 0.000 0.285 86 N C 0.226 175.754 175.510 0.030 0.000 1.309 86 N CA -0.699 52.356 53.050 0.008 0.000 0.798 86 N CB 0.903 39.410 38.487 0.033 0.000 1.463 86 N HN 0.673 nan 8.380 nan 0.000 0.518 87 Q N -1.039 118.780 119.800 0.031 0.000 2.376 87 Q HA -0.039 4.301 4.340 0.000 0.000 0.211 87 Q C 0.763 176.748 176.000 -0.026 0.000 0.986 87 Q CA 1.554 57.352 55.803 -0.008 0.000 0.886 87 Q CB -0.513 28.207 28.738 -0.030 0.000 0.927 87 Q HN 0.573 nan 8.270 nan 0.000 0.457 88 F N 0.230 120.160 119.950 -0.034 0.000 2.234 88 F HA 0.300 4.828 4.527 0.000 0.000 0.296 88 F C 1.283 177.058 175.800 -0.042 0.000 1.089 88 F CA 1.359 59.341 58.000 -0.030 0.000 1.343 88 F CB 0.397 39.380 39.000 -0.028 0.000 1.040 88 F HN 0.294 nan 8.300 nan 0.000 0.498 89 G N -1.638 107.245 108.800 0.138 0.000 2.342 89 G HA2 0.432 4.392 3.960 0.000 0.000 0.297 89 G HA3 0.432 4.392 3.960 0.000 0.000 0.297 89 G C -1.655 173.234 174.900 -0.018 0.000 1.313 89 G CA -0.658 44.468 45.100 0.042 0.000 0.830 89 G HN -0.054 nan 8.290 nan 0.000 0.506 90 S N -0.607 115.061 115.700 -0.052 0.000 2.548 90 S HA 0.808 5.279 4.470 0.000 0.000 0.286 90 S C -0.512 174.037 174.600 -0.086 0.000 1.098 90 S CA -0.615 57.541 58.200 -0.073 0.000 0.930 90 S CB 1.488 64.653 63.200 -0.058 0.000 1.070 90 S HN 1.208 nan 8.310 nan 0.000 0.480 91 I N 0.027 120.533 120.570 -0.107 0.000 2.610 91 I HA 0.603 4.773 4.170 0.000 0.000 0.289 91 I C -0.948 175.226 176.117 0.094 0.000 1.163 91 I CA -1.193 60.079 61.300 -0.047 0.000 1.044 91 I CB 1.463 39.364 38.000 -0.164 0.000 1.251 91 I HN 0.695 nan 8.210 nan 0.000 0.424 92 I N 2.557 123.256 120.570 0.216 0.000 2.359 92 I HA 0.635 4.806 4.170 0.000 0.000 0.294 92 I C 0.699 177.061 176.117 0.408 0.000 0.987 92 I CA -0.327 61.142 61.300 0.280 0.000 1.225 92 I CB 1.800 39.883 38.000 0.138 0.000 1.366 92 I HN 0.797 nan 8.210 nan 0.000 0.466 93 S N 5.655 121.473 115.700 0.197 0.000 2.617 93 S HA 0.307 4.777 4.470 0.000 0.000 0.255 93 S C 0.496 175.032 174.600 -0.107 0.000 1.318 93 S CA -0.753 57.247 58.200 -0.335 0.000 0.978 93 S CB 0.482 63.271 63.200 -0.686 0.000 0.961 93 S HN 0.913 nan 8.310 nan 0.000 0.582 94 R N 0.176 120.480 120.500 -0.326 0.000 2.863 94 R HA 0.202 4.543 4.340 0.000 0.000 0.273 94 R C -1.160 175.052 176.300 -0.147 0.000 1.057 94 R CA -0.387 55.507 56.100 -0.345 0.000 1.191 94 R CB -0.461 29.616 30.300 -0.371 0.000 1.104 94 R HN 0.518 nan 8.270 nan 0.000 0.519 95 D N 0.669 120.993 120.400 -0.127 0.000 2.389 95 D HA 0.157 4.797 4.640 0.000 0.000 0.247 95 D C -0.592 175.628 176.300 -0.134 0.000 1.128 95 D CA -0.140 53.790 54.000 -0.117 0.000 0.884 95 D CB 1.203 41.887 40.800 -0.194 0.000 1.194 95 D HN 0.255 nan 8.370 nan 0.000 0.441 96 V N 3.189 123.067 119.914 -0.060 0.000 2.334 96 V HA 0.142 4.262 4.120 0.000 0.000 0.281 96 V C -0.381 175.715 176.094 0.003 0.000 1.016 96 V CA -0.793 61.536 62.300 0.048 0.000 0.832 96 V CB 0.618 32.581 31.823 0.233 0.000 0.999 96 V HN 0.469 nan 8.190 nan 0.000 0.439 97 H N 2.809 121.952 119.070 0.123 0.000 2.864 97 H HA 0.405 4.962 4.556 0.000 0.000 0.281 97 H C -0.149 175.258 175.328 0.133 0.000 1.093 97 H CA -0.205 55.905 56.048 0.103 0.000 1.453 97 H CB 1.069 30.873 29.762 0.070 0.000 1.462 97 H HN 0.423 nan 8.280 nan 0.000 0.480 98 V N 4.943 124.996 119.914 0.232 0.000 2.383 98 V HA 0.260 4.380 4.120 0.000 0.000 0.275 98 V C 0.275 176.439 176.094 0.117 0.000 1.036 98 V CA -0.497 61.907 62.300 0.173 0.000 0.889 98 V CB 0.933 32.818 31.823 0.104 0.000 0.985 98 V HN 0.739 nan 8.190 nan 0.000 0.459 99 R N 4.622 125.188 120.500 0.110 0.000 2.443 99 R HA 0.647 4.987 4.340 0.000 0.000 0.287 99 R C -0.278 175.901 176.300 -0.202 0.000 1.425 99 R CA -0.321 55.804 56.100 0.043 0.000 1.300 99 R CB 0.921 31.306 30.300 0.141 0.000 1.129 99 R HN 0.768 nan 8.270 nan 0.000 0.577 100 A N 3.124 125.727 122.820 -0.360 0.000 2.366 100 A HA 0.490 4.810 4.320 0.000 0.000 0.272 100 A C -0.525 176.902 177.584 -0.260 0.000 1.135 100 A CA -0.349 51.249 52.037 -0.732 0.000 0.804 100 A CB 0.964 19.640 19.000 -0.540 0.000 1.064 100 A HN 0.421 nan 8.150 nan 0.000 0.499 101 V N 4.093 123.764 119.914 -0.406 0.000 2.483 101 V HA 0.234 4.354 4.120 0.000 0.000 0.297 101 V C 0.008 175.891 176.094 -0.351 0.000 1.027 101 V CA -0.711 61.379 62.300 -0.350 0.000 0.855 101 V CB 1.497 32.992 31.823 -0.546 0.000 0.995 101 V HN 0.656 nan 8.190 nan 0.000 0.424 102 V N 3.971 123.684 119.914 -0.334 0.000 2.529 102 V HA 0.256 4.376 4.120 0.000 0.000 0.292 102 V C 1.182 177.123 176.094 -0.254 0.000 1.028 102 V CA 0.023 62.128 62.300 -0.325 0.000 1.074 102 V CB 1.234 32.878 31.823 -0.298 0.000 0.958 102 V HN 1.058 nan 8.190 nan 0.000 0.481 103 A N 5.419 128.084 122.820 -0.258 0.000 2.526 103 A HA 0.155 4.476 4.320 0.000 0.000 0.287 103 A C 0.280 177.792 177.584 -0.120 0.000 1.232 103 A CA 0.373 52.275 52.037 -0.226 0.000 0.900 103 A CB -0.496 18.369 19.000 -0.225 0.000 1.077 103 A HN 0.887 nan 8.150 nan 0.000 0.535 104 Q N 1.445 121.213 119.800 -0.053 0.000 2.248 104 Q HA 0.502 4.842 4.340 0.000 0.000 0.263 104 Q C -0.979 175.134 176.000 0.189 0.000 1.007 104 Q CA -0.834 55.004 55.803 0.057 0.000 0.877 104 Q CB 1.201 29.976 28.738 0.061 0.000 1.315 104 Q HN 0.713 nan 8.270 nan 0.000 0.454 105 Y N 2.645 123.007 120.300 0.103 0.000 2.346 105 Y HA 0.308 4.858 4.550 0.000 0.000 0.330 105 Y C -1.433 174.635 175.900 0.280 0.000 1.178 105 Y CA -0.265 57.927 58.100 0.154 0.000 1.331 105 Y CB 0.350 38.850 38.460 0.068 0.000 1.253 105 Y HN 0.545 nan 8.280 nan 0.000 0.529 106 Y N 2.457 122.346 120.300 -0.685 0.000 2.544 106 Y HA 0.602 5.152 4.550 0.000 0.000 0.342 106 Y C -1.873 173.551 175.900 -0.793 0.000 1.062 106 Y CA -1.261 56.446 58.100 -0.654 0.000 1.023 106 Y CB 1.381 39.696 38.460 -0.241 0.000 1.308 106 Y HN 0.635 nan 8.280 nan 0.000 0.457 107 E N 2.824 122.575 120.200 -0.748 0.000 2.241 107 E HA 0.756 5.106 4.350 0.000 0.000 0.263 107 E C -1.317 175.108 176.600 -0.292 0.000 0.882 107 E CA -1.305 54.760 56.400 -0.559 0.000 0.769 107 E CB 2.163 31.678 29.700 -0.308 0.000 1.185 107 E HN 0.935 nan 8.360 nan 0.000 0.415 108 A N 3.725 126.387 122.820 -0.265 0.000 2.371 108 A HA 0.291 4.612 4.320 0.000 0.000 0.257 108 A C -0.454 177.076 177.584 -0.091 0.000 1.089 108 A CA -0.356 51.607 52.037 -0.123 0.000 0.794 108 A CB 0.421 19.358 19.000 -0.105 0.000 1.029 108 A HN 0.713 nan 8.150 nan 0.000 0.488 109 D N 0.321 120.693 120.400 -0.047 0.000 2.340 109 D HA 0.552 5.192 4.640 0.000 0.000 0.240 109 D C -1.162 175.156 176.300 0.031 0.000 1.001 109 D CA -0.085 53.909 54.000 -0.010 0.000 0.888 109 D CB 2.089 42.890 40.800 0.002 0.000 1.310 109 D HN 0.168 nan 8.370 nan 0.000 0.474 110 V N 2.910 122.863 119.914 0.067 0.000 2.447 110 V HA 0.271 4.392 4.120 0.000 0.000 0.292 110 V C -0.164 176.002 176.094 0.119 0.000 1.021 110 V CA -0.911 61.474 62.300 0.142 0.000 0.850 110 V CB 1.572 33.539 31.823 0.238 0.000 1.005 110 V HN 0.394 nan 8.190 nan 0.000 0.426 111 N N 2.645 121.411 118.700 0.109 0.000 2.485 111 N HA 0.451 5.191 4.740 0.000 0.000 0.280 111 N C -0.206 175.351 175.510 0.078 0.000 1.205 111 N CA -0.782 52.317 53.050 0.082 0.000 0.959 111 N CB 1.195 39.727 38.487 0.075 0.000 1.206 111 N HN 0.506 nan 8.380 nan 0.000 0.545 112 K N 0.724 121.153 120.400 0.049 0.000 2.484 112 K HA -0.033 4.287 4.320 0.000 0.000 0.280 112 K C -0.152 176.447 176.600 -0.001 0.000 1.013 112 K CA 0.531 56.813 56.287 -0.009 0.000 1.029 112 K CB 0.255 32.723 32.500 -0.054 0.000 0.902 112 K HN 0.401 nan 8.250 nan 0.000 0.481 113 E N 2.734 122.906 120.200 -0.046 0.000 2.176 113 E HA 0.143 4.494 4.350 0.000 0.000 0.267 113 E C -1.227 175.322 176.600 -0.085 0.000 0.893 113 E CA -0.544 55.855 56.400 -0.002 0.000 0.761 113 E CB 0.650 30.361 29.700 0.018 0.000 1.133 113 E HN 0.425 nan 8.360 nan 0.000 0.409 114 H N 3.029 122.116 119.070 0.029 0.000 2.489 114 H HA 0.466 5.022 4.556 0.000 0.000 0.322 114 H C -0.362 174.977 175.328 0.019 0.000 1.091 114 H CA -0.633 55.430 56.048 0.024 0.000 1.291 114 H CB 1.162 30.938 29.762 0.022 0.000 1.436 114 H HN 0.340 nan 8.280 nan 0.000 0.480 115 V N 1.625 121.602 119.914 0.105 0.000 2.789 115 V HA 0.420 4.541 4.120 0.000 0.000 0.311 115 V C 0.080 176.210 176.094 0.060 0.000 1.073 115 V CA -1.092 61.248 62.300 0.067 0.000 0.921 115 V CB 2.278 34.116 31.823 0.025 0.000 1.009 115 V HN 0.589 nan 8.190 nan 0.000 0.426 116 I N 3.494 124.100 120.570 0.059 0.000 2.322 116 I HA 0.330 4.500 4.170 0.000 0.000 0.292 116 I C 1.050 177.195 176.117 0.046 0.000 1.060 116 I CA -0.333 60.993 61.300 0.043 0.000 1.309 116 I CB 0.725 38.761 38.000 0.061 0.000 1.415 116 I HN 0.839 nan 8.210 nan 0.000 0.492 117 R N 5.766 126.275 120.500 0.016 0.000 2.695 117 R HA -0.112 4.229 4.340 0.000 0.000 0.304 117 R C 0.978 177.319 176.300 0.069 0.000 0.836 117 R CA 1.477 57.590 56.100 0.023 0.000 1.135 117 R CB -0.140 30.157 30.300 -0.004 0.000 0.882 117 R HN 1.026 nan 8.270 nan 0.000 0.413 118 G N 3.028 111.865 108.800 0.062 0.000 2.612 118 G HA2 -0.250 3.710 3.960 0.000 0.000 0.200 118 G HA3 -0.250 3.710 3.960 0.000 0.000 0.200 118 G C 0.018 174.958 174.900 0.066 0.000 1.053 118 G CA -0.051 45.098 45.100 0.082 0.000 0.707 118 G HN 0.653 nan 8.290 nan 0.000 0.497 119 N N 0.976 119.723 118.700 0.079 0.000 2.326 119 N HA 0.419 5.159 4.740 0.000 0.000 0.239 119 N C -0.153 175.365 175.510 0.014 0.000 1.301 119 N CA 0.668 53.765 53.050 0.077 0.000 0.909 119 N CB 0.509 39.056 38.487 0.100 0.000 1.156 119 N HN 0.313 nan 8.380 nan 0.000 0.462 120 S N 0.081 115.781 115.700 -0.000 0.000 2.585 120 S HA 0.488 4.958 4.470 0.000 0.000 0.277 120 S C -0.172 174.317 174.600 -0.185 0.000 1.241 120 S CA -0.850 57.267 58.200 -0.138 0.000 1.041 120 S CB 1.527 64.631 63.200 -0.161 0.000 0.987 120 S HN 0.624 nan 8.310 nan 0.000 0.512 121 A N 1.968 124.605 122.820 -0.306 0.000 2.320 121 A HA 0.771 5.091 4.320 0.000 0.000 0.334 121 A C -0.941 176.437 177.584 -0.344 0.000 1.147 121 A CA -0.654 51.233 52.037 -0.252 0.000 0.820 121 A CB 0.867 19.743 19.000 -0.207 0.000 1.218 121 A HN 0.622 nan 8.150 nan 0.000 0.482 122 V N 3.876 123.673 119.914 -0.195 0.000 2.385 122 V HA 0.219 4.339 4.120 0.000 0.000 0.277 122 V C -0.730 175.286 176.094 -0.131 0.000 1.012 122 V CA -0.403 61.807 62.300 -0.150 0.000 0.832 122 V CB 0.991 32.800 31.823 -0.023 0.000 1.028 122 V HN 0.699 nan 8.190 nan 0.000 0.436 123 I N 4.737 125.155 120.570 -0.254 0.000 2.379 123 I HA 0.311 4.481 4.170 0.000 0.000 0.290 123 I C 0.538 176.613 176.117 -0.071 0.000 1.063 123 I CA -0.043 61.123 61.300 -0.222 0.000 1.351 123 I CB 0.692 38.407 38.000 -0.475 0.000 1.410 123 I HN 0.546 nan 8.210 nan 0.000 0.505 124 K N 5.069 125.545 120.400 0.127 0.000 2.156 124 K HA 0.345 4.666 4.320 0.000 0.000 0.271 124 K C -0.478 176.345 176.600 0.372 0.000 0.995 124 K CA -0.500 55.932 56.287 0.242 0.000 0.890 124 K CB 1.900 34.483 32.500 0.139 0.000 1.073 124 K HN 0.608 nan 8.250 nan 0.000 0.454 125 c N 5.852 124.680 118.600 0.380 0.000 2.168 125 c HA 0.328 4.898 4.570 0.000 0.000 0.333 125 c C 0.031 174.158 174.090 0.063 0.000 1.106 125 c CA -0.783 55.644 56.329 0.164 0.000 1.574 125 c CB -1.531 40.910 42.510 -0.115 0.000 2.055 125 c HN 0.721 nan 8.230 nan 0.000 0.473 126 L N 7.371 128.626 121.223 0.054 0.000 2.456 126 L HA 0.345 4.685 4.340 0.000 0.000 0.277 126 L C 0.263 177.118 176.870 -0.026 0.000 1.124 126 L CA 0.436 55.286 54.840 0.015 0.000 0.880 126 L CB 0.246 42.318 42.059 0.022 0.000 1.192 126 L HN 0.576 nan 8.230 nan 0.000 0.463 127 I N 5.245 125.785 120.570 -0.050 0.000 2.412 127 I HA 0.317 4.488 4.170 0.000 0.000 0.296 127 I C -1.905 174.115 176.117 -0.162 0.000 0.987 127 I CA -2.178 59.072 61.300 -0.082 0.000 1.180 127 I CB 1.662 39.608 38.000 -0.090 0.000 1.340 127 I HN 0.345 nan 8.210 nan 0.000 0.455 128 P HA -0.016 nan 4.420 nan 0.000 0.258 128 P C 0.838 177.804 177.300 -0.555 0.000 1.187 128 P CA 0.113 62.908 63.100 -0.508 0.000 0.767 128 P CB 0.546 31.703 31.700 -0.906 0.000 0.770 129 S N 3.762 119.265 115.700 -0.328 0.000 2.380 129 S HA -0.286 4.184 4.470 0.000 0.000 0.229 129 S C 1.612 176.104 174.600 -0.180 0.000 1.043 129 S CA 1.702 59.790 58.200 -0.187 0.000 1.038 129 S CB -1.552 61.617 63.200 -0.052 0.000 0.872 129 S HN 0.521 nan 8.310 nan 0.000 0.456 130 F N 2.381 122.302 119.950 -0.048 0.000 2.546 130 F HA 0.274 4.802 4.527 0.001 0.000 0.298 130 F C 1.769 177.543 175.800 -0.044 0.000 1.120 130 F CA 0.374 58.349 58.000 -0.043 0.000 1.456 130 F CB -0.757 38.234 39.000 -0.016 0.000 1.088 130 F HN 0.235 nan 8.300 nan 0.000 0.572 131 V N -2.961 116.765 119.914 -0.314 0.000 3.528 131 V HA 0.560 4.680 4.120 0.000 0.000 0.294 131 V C 2.188 178.093 176.094 -0.316 0.000 1.404 131 V CA 0.081 62.266 62.300 -0.191 0.000 1.065 131 V CB -0.482 31.193 31.823 -0.246 0.000 0.904 131 V HN 0.272 nan 8.190 nan 0.000 0.435 132 A N 1.814 124.440 122.820 -0.323 0.000 1.894 132 A HA -0.349 3.972 4.320 0.000 0.000 0.220 132 A C 1.797 179.148 177.584 -0.388 0.000 1.237 132 A CA 2.897 54.752 52.037 -0.302 0.000 0.660 132 A CB -1.152 17.706 19.000 -0.237 0.000 0.835 132 A HN 0.578 nan 8.150 nan 0.000 0.461 133 D N -1.087 118.980 120.400 -0.554 0.000 2.239 133 D HA -0.160 4.480 4.640 0.000 0.000 0.202 133 D C 0.965 176.763 176.300 -0.837 0.000 0.993 133 D CA 1.400 54.925 54.000 -0.792 0.000 0.874 133 D CB -0.354 39.733 40.800 -1.189 0.000 0.922 133 D HN 0.601 nan 8.370 nan 0.000 0.464 134 F N -0.724 119.043 119.950 -0.304 0.000 2.706 134 F HA 0.265 4.792 4.527 0.000 0.000 0.313 134 F C 0.252 175.668 175.800 -0.641 0.000 1.096 134 F CA -0.394 57.326 58.000 -0.467 0.000 1.219 134 F CB 0.567 39.211 39.000 -0.593 0.000 1.051 134 F HN -0.328 nan 8.300 nan 0.000 0.568 135 V N 1.633 121.319 119.914 -0.379 0.000 2.588 135 V HA 0.463 4.584 4.120 0.000 0.000 0.304 135 V C -0.500 175.482 176.094 -0.187 0.000 1.042 135 V CA -0.945 61.148 62.300 -0.344 0.000 0.877 135 V CB 2.210 33.749 31.823 -0.474 0.000 0.996 135 V HN 0.262 nan 8.190 nan 0.000 0.425 136 E N 3.326 123.463 120.200 -0.106 0.000 2.416 136 E HA 0.727 5.077 4.350 0.000 0.000 0.273 136 E C -1.545 175.030 176.600 -0.042 0.000 0.935 136 E CA -0.990 55.372 56.400 -0.063 0.000 0.784 136 E CB 2.289 31.963 29.700 -0.043 0.000 1.301 136 E HN 0.234 nan 8.360 nan 0.000 0.454 137 V N 1.792 121.678 119.914 -0.046 0.000 2.614 137 V HA 0.026 4.147 4.120 0.000 0.000 0.291 137 V C 0.656 176.719 176.094 -0.051 0.000 1.049 137 V CA -0.015 62.230 62.300 -0.092 0.000 1.038 137 V CB 1.188 32.950 31.823 -0.101 0.000 0.980 137 V HN 0.714 nan 8.190 nan 0.000 0.481 138 V N 2.424 122.286 119.914 -0.087 0.000 2.854 138 V HA 0.240 4.360 4.120 0.000 0.000 0.236 138 V C 0.529 176.574 176.094 -0.082 0.000 1.157 138 V CA 0.998 63.288 62.300 -0.016 0.000 1.187 138 V CB 0.850 32.687 31.823 0.024 0.000 0.949 138 V HN 0.935 nan 8.190 nan 0.000 0.488 139 S N -2.115 113.430 115.700 -0.258 0.000 2.547 139 S HA 0.581 5.052 4.470 0.000 0.000 0.270 139 S C -1.956 172.340 174.600 -0.508 0.000 1.150 139 S CA -0.830 57.065 58.200 -0.509 0.000 0.850 139 S CB 1.246 63.755 63.200 -1.152 0.000 1.118 139 S HN 0.213 nan 8.310 nan 0.000 0.461 140 W N 1.302 122.324 121.300 -0.463 0.000 2.512 140 W HA 0.637 5.297 4.660 0.001 0.000 0.335 140 W C 0.361 176.499 176.519 -0.634 0.000 1.088 140 W CA -0.155 57.020 57.345 -0.283 0.000 1.236 140 W CB 1.114 30.546 29.460 -0.047 0.000 1.307 140 W HN 0.630 nan 8.180 nan 0.000 0.567 141 H N 0.696 119.836 119.070 0.117 0.000 2.771 141 H HA 0.356 4.912 4.556 0.000 0.000 0.361 141 H C -0.258 175.096 175.328 0.043 0.000 1.108 141 H CA -0.733 55.287 56.048 -0.048 0.000 1.201 141 H CB 1.927 31.637 29.762 -0.086 0.000 1.681 141 H HN 0.331 nan 8.280 nan 0.000 0.534 142 T N -1.665 112.905 114.554 0.026 0.000 2.945 142 T HA 0.073 4.424 4.350 0.000 0.000 0.286 142 T C 0.985 175.670 174.700 -0.024 0.000 1.025 142 T CA -0.768 61.343 62.100 0.018 0.000 1.039 142 T CB 1.491 70.346 68.868 -0.022 0.000 1.068 142 T HN 0.602 nan 8.240 nan 0.000 0.497 143 D N 0.358 120.723 120.400 -0.058 0.000 2.264 143 D HA -0.136 4.505 4.640 0.000 0.000 0.208 143 D C 1.256 177.542 176.300 -0.024 0.000 0.966 143 D CA 0.900 54.871 54.000 -0.049 0.000 0.864 143 D CB -0.364 40.387 40.800 -0.083 0.000 0.933 143 D HN 0.803 nan 8.370 nan 0.000 0.499 144 E N 0.307 120.502 120.200 -0.008 0.000 2.516 144 E HA -0.047 4.303 4.350 0.000 0.000 0.199 144 E C -0.340 176.249 176.600 -0.017 0.000 1.069 144 E CA 0.189 56.599 56.400 0.016 0.000 0.876 144 E CB -0.218 29.509 29.700 0.044 0.000 0.843 144 E HN 0.369 nan 8.360 nan 0.000 0.530 145 E N 0.746 120.925 120.200 -0.036 0.000 2.257 145 E HA -0.190 4.160 4.350 0.000 0.000 0.217 145 E C -0.942 175.604 176.600 -0.090 0.000 1.248 145 E CA 0.530 56.905 56.400 -0.041 0.000 0.691 145 E CB -1.434 28.256 29.700 -0.017 0.000 1.185 145 E HN 0.399 nan 8.360 nan 0.000 0.377 146 E N 0.719 120.802 120.200 -0.196 0.000 2.199 146 E HA 0.448 4.799 4.350 0.000 0.000 0.269 146 E C -0.322 175.905 176.600 -0.622 0.000 0.899 146 E CA -0.575 55.594 56.400 -0.384 0.000 0.772 146 E CB 1.462 30.872 29.700 -0.483 0.000 1.155 146 E HN 0.149 nan 8.360 nan 0.000 0.408 147 N N 2.417 120.762 118.700 -0.591 0.000 2.479 147 N HA 0.208 4.949 4.740 0.000 0.000 0.261 147 N C -1.481 173.649 175.510 -0.633 0.000 0.979 147 N CA -0.491 52.192 53.050 -0.612 0.000 0.930 147 N CB 0.908 39.268 38.487 -0.212 0.000 1.172 147 N HN 0.331 nan 8.380 nan 0.000 0.499 148 Y N 2.366 122.395 120.300 -0.453 0.000 2.404 148 Y HA 0.363 4.913 4.550 0.000 0.000 0.344 148 Y C 0.051 175.885 175.900 -0.110 0.000 0.970 148 Y CA -0.637 57.192 58.100 -0.452 0.000 1.180 148 Y CB 0.051 38.272 38.460 -0.398 0.000 1.138 148 Y HN 0.378 nan 8.280 nan 0.000 0.510 149 F N 4.261 124.414 119.950 0.339 0.000 2.410 149 F HA 0.583 5.110 4.527 0.000 0.000 0.324 149 F C -1.849 174.143 175.800 0.320 0.000 1.093 149 F CA -2.245 55.923 58.000 0.279 0.000 1.028 149 F CB 0.597 39.728 39.000 0.219 0.000 1.309 149 F HN 0.299 nan 8.300 nan 0.000 0.499 150 P HA 0.485 nan 4.420 nan 0.000 0.277 150 P C -0.208 177.205 177.300 0.188 0.000 1.240 150 P CA -0.023 63.235 63.100 0.262 0.000 0.798 150 P CB 1.104 32.920 31.700 0.193 0.000 0.979 151 G N -0.397 108.460 108.800 0.095 0.000 2.247 151 G HA2 0.327 4.287 3.960 0.000 0.000 0.229 151 G HA3 0.327 4.287 3.960 0.000 0.000 0.229 151 G C -0.791 174.085 174.900 -0.040 0.000 1.345 151 G CA -0.189 44.919 45.100 0.013 0.000 1.100 151 G HN 0.583 nan 8.290 nan 0.000 0.473 152 A N -0.240 122.518 122.820 -0.103 0.000 2.346 152 A HA 0.609 4.929 4.320 0.000 0.000 0.255 152 A C 0.586 178.065 177.584 -0.176 0.000 1.113 152 A CA 1.037 52.997 52.037 -0.129 0.000 0.798 152 A CB 0.107 19.026 19.000 -0.135 0.000 1.073 152 A HN 0.995 nan 8.150 nan 0.000 0.502 153 E N -0.704 119.421 120.200 -0.126 0.000 2.313 153 E HA 0.332 4.682 4.350 0.000 0.000 0.276 153 E C -1.408 175.133 176.600 -0.098 0.000 1.031 153 E CA -0.104 56.256 56.400 -0.065 0.000 0.857 153 E CB 0.303 29.987 29.700 -0.026 0.000 1.040 153 E HN 0.483 nan 8.360 nan 0.000 0.408 154 Y N 2.771 123.101 120.300 0.049 0.000 2.319 154 Y HA 0.044 4.594 4.550 0.000 0.000 0.328 154 Y C 0.587 176.546 175.900 0.098 0.000 1.133 154 Y CA -0.179 57.974 58.100 0.090 0.000 1.265 154 Y CB 0.893 39.423 38.460 0.117 0.000 1.218 154 Y HN 0.645 nan 8.280 nan 0.000 0.508 155 D N 1.731 122.276 120.400 0.242 0.000 2.845 155 D HA -0.223 4.417 4.640 0.000 0.000 0.229 155 D C 1.264 177.624 176.300 0.100 0.000 1.170 155 D CA 1.451 55.557 54.000 0.178 0.000 0.717 155 D CB -1.288 39.661 40.800 0.250 0.000 1.073 155 D HN 1.122 nan 8.370 nan 0.000 0.424 156 G N 0.311 109.148 108.800 0.062 0.000 2.321 156 G HA2 -0.407 3.553 3.960 0.000 0.000 0.287 156 G HA3 -0.407 3.553 3.960 0.000 0.000 0.287 156 G C 0.776 175.662 174.900 -0.023 0.000 1.018 156 G CA 1.711 46.819 45.100 0.013 0.000 0.855 156 G HN 0.661 nan 8.290 nan 0.000 0.507 157 K N -1.915 118.460 120.400 -0.042 0.000 2.890 157 K HA 0.271 4.592 4.320 0.000 0.000 0.202 157 K C 0.041 176.445 176.600 -0.327 0.000 1.592 157 K CA -0.430 55.720 56.287 -0.229 0.000 1.197 157 K CB 0.472 32.743 32.500 -0.381 0.000 1.913 157 K HN 0.193 nan 8.250 nan 0.000 0.550 158 Y N 1.986 122.189 120.300 -0.163 0.000 2.316 158 Y HA 0.452 5.002 4.550 0.000 0.000 0.331 158 Y C -0.490 175.334 175.900 -0.127 0.000 1.083 158 Y CA -0.806 57.096 58.100 -0.330 0.000 1.206 158 Y CB 1.384 39.331 38.460 -0.855 0.000 1.195 158 Y HN 0.089 nan 8.280 nan 0.000 0.497 159 L N 3.651 124.889 121.223 0.025 0.000 2.505 159 L HA 0.576 4.917 4.340 0.000 0.000 0.266 159 L C -1.622 175.282 176.870 0.057 0.000 0.954 159 L CA -0.854 54.036 54.840 0.084 0.000 0.852 159 L CB 1.791 43.871 42.059 0.035 0.000 1.282 159 L HN 0.362 nan 8.230 nan 0.000 0.403 160 V N 6.214 126.209 119.914 0.134 0.000 2.405 160 V HA 0.274 4.395 4.120 0.000 0.000 0.264 160 V C 0.683 176.845 176.094 0.113 0.000 1.048 160 V CA -0.290 62.105 62.300 0.158 0.000 0.966 160 V CB 0.646 32.647 31.823 0.297 0.000 1.015 160 V HN 0.669 nan 8.190 nan 0.000 0.477 161 L N 7.688 128.961 121.223 0.084 0.000 2.467 161 L HA 0.169 4.509 4.340 0.000 0.000 0.270 161 L C -0.968 175.942 176.870 0.066 0.000 1.205 161 L CA -1.244 53.618 54.840 0.036 0.000 0.828 161 L CB 0.375 42.448 42.059 0.023 0.000 1.101 161 L HN 0.407 nan 8.230 nan 0.000 0.479 162 P HA -0.175 nan 4.420 nan 0.000 0.216 162 P C 1.159 178.504 177.300 0.076 0.000 1.153 162 P CA 1.312 64.429 63.100 0.028 0.000 0.858 162 P CB 0.084 31.759 31.700 -0.042 0.000 0.789 163 S N -2.391 113.366 115.700 0.095 0.000 2.660 163 S HA 0.281 4.751 4.470 0.000 0.000 0.223 163 S C 1.643 176.311 174.600 0.114 0.000 0.963 163 S CA 0.550 58.820 58.200 0.116 0.000 0.932 163 S CB -0.961 62.317 63.200 0.129 0.000 0.775 163 S HN 0.353 nan 8.310 nan 0.000 0.531 164 G N 0.497 109.384 108.800 0.146 0.000 2.254 164 G HA2 -0.226 3.734 3.960 0.000 0.000 0.225 164 G HA3 -0.226 3.734 3.960 0.000 0.000 0.225 164 G C -0.167 174.970 174.900 0.395 0.000 1.003 164 G CA -0.201 45.018 45.100 0.199 0.000 0.622 164 G HN 0.548 nan 8.290 nan 0.000 0.507 165 E N -0.013 120.370 120.200 0.306 0.000 2.409 165 E HA 0.542 4.892 4.350 0.000 0.000 0.257 165 E C 0.121 176.808 176.600 0.145 0.000 1.150 165 E CA -0.388 56.192 56.400 0.300 0.000 0.942 165 E CB 1.048 30.827 29.700 0.132 0.000 0.979 165 E HN 0.449 nan 8.360 nan 0.000 0.447 166 L N 2.429 123.424 121.223 -0.380 0.000 2.262 166 L HA 0.195 4.535 4.340 0.000 0.000 0.288 166 L C -1.073 175.541 176.870 -0.426 0.000 1.035 166 L CA -0.261 54.126 54.840 -0.755 0.000 0.820 166 L CB 0.730 41.723 42.059 -1.777 0.000 1.204 166 L HN 0.521 nan 8.230 nan 0.000 0.424 167 H N 6.848 125.727 119.070 -0.319 0.000 2.690 167 H HA 0.337 4.894 4.556 0.000 0.000 0.289 167 H C -0.905 174.250 175.328 -0.289 0.000 1.089 167 H CA -0.458 55.441 56.048 -0.248 0.000 1.299 167 H CB 0.686 30.350 29.762 -0.164 0.000 1.405 167 H HN 0.652 nan 8.280 nan 0.000 0.463 168 I N 6.082 126.289 120.570 -0.605 0.000 2.301 168 I HA 0.191 4.361 4.170 0.000 0.000 0.292 168 I C 0.840 176.605 176.117 -0.587 0.000 1.046 168 I CA -0.361 60.594 61.300 -0.574 0.000 1.282 168 I CB 0.871 38.571 38.000 -0.499 0.000 1.409 168 I HN 0.334 nan 8.210 nan 0.000 0.484 169 R N 6.474 126.713 120.500 -0.435 0.000 2.340 169 R HA 0.087 4.427 4.340 0.000 0.000 0.300 169 R C 0.035 176.201 176.300 -0.223 0.000 1.069 169 R CA -0.109 55.837 56.100 -0.257 0.000 0.984 169 R CB 0.474 30.713 30.300 -0.102 0.000 1.003 169 R HN 0.719 nan 8.270 nan 0.000 0.459 170 E N 2.283 122.398 120.200 -0.142 0.000 2.513 170 E HA -0.175 4.175 4.350 0.000 0.000 0.156 170 E C -1.217 175.321 176.600 -0.104 0.000 1.740 170 E CA 0.040 56.389 56.400 -0.085 0.000 0.646 170 E CB -0.242 29.425 29.700 -0.054 0.000 1.080 170 E HN 0.340 nan 8.360 nan 0.000 0.345 171 V N 2.297 122.155 119.914 -0.094 0.000 2.572 171 V HA 0.517 4.637 4.120 0.000 0.000 0.291 171 V C 1.279 177.356 176.094 -0.028 0.000 1.039 171 V CA 0.839 63.093 62.300 -0.077 0.000 1.055 171 V CB 1.391 33.178 31.823 -0.060 0.000 0.969 171 V HN 0.533 nan 8.190 nan 0.000 0.482 172 G N 4.335 113.124 108.800 -0.017 0.000 2.605 172 G HA2 0.588 4.548 3.960 0.000 0.000 0.296 172 G HA3 0.588 4.548 3.960 0.000 0.000 0.296 172 G C -2.255 172.658 174.900 0.022 0.000 1.304 172 G CA -1.392 43.710 45.100 0.004 0.000 0.941 172 G HN 0.482 nan 8.290 nan 0.000 0.475 173 P HA -0.240 nan 4.420 nan 0.000 0.219 173 P C 1.728 179.059 177.300 0.051 0.000 1.158 173 P CA 1.763 64.884 63.100 0.035 0.000 0.895 173 P CB 0.197 31.912 31.700 0.025 0.000 0.792 174 E N -1.050 119.172 120.200 0.036 0.000 2.501 174 E HA -0.209 4.141 4.350 0.000 0.000 0.203 174 E C 0.557 177.206 176.600 0.081 0.000 1.072 174 E CA 1.180 57.598 56.400 0.030 0.000 0.885 174 E CB -0.776 28.931 29.700 0.011 0.000 0.813 174 E HN 0.312 nan 8.360 nan 0.000 0.556 175 D N -0.293 120.176 120.400 0.116 0.000 2.520 175 D HA 0.121 4.762 4.640 0.000 0.000 0.223 175 D C 1.274 177.689 176.300 0.191 0.000 1.186 175 D CA 0.394 54.511 54.000 0.195 0.000 0.821 175 D CB 0.675 41.588 40.800 0.189 0.000 1.072 175 D HN 0.337 nan 8.370 nan 0.000 0.518 176 G N -0.239 108.643 108.800 0.136 0.000 2.920 176 G HA2 -0.179 3.781 3.960 0.000 0.000 0.208 176 G HA3 -0.179 3.781 3.960 0.000 0.000 0.208 176 G C 1.170 176.120 174.900 0.083 0.000 1.159 176 G CA 0.107 45.262 45.100 0.092 0.000 0.784 176 G HN 0.225 nan 8.290 nan 0.000 0.535 177 Y N 0.878 121.163 120.300 -0.025 0.000 2.231 177 Y HA 0.281 4.831 4.550 0.000 0.000 0.294 177 Y C 1.304 177.134 175.900 -0.118 0.000 1.120 177 Y CA 0.621 58.691 58.100 -0.050 0.000 1.141 177 Y CB 0.228 38.676 38.460 -0.021 0.000 1.022 177 Y HN -0.074 nan 8.280 nan 0.000 0.523 178 K N 1.537 121.969 120.400 0.054 0.000 2.368 178 K HA 0.158 4.479 4.320 0.000 0.000 0.282 178 K C -0.477 175.758 176.600 -0.609 0.000 1.035 178 K CA -0.030 56.111 56.287 -0.243 0.000 0.973 178 K CB 0.854 33.191 32.500 -0.271 0.000 0.957 178 K HN 0.041 nan 8.250 nan 0.000 0.474 179 S N 2.872 118.292 115.700 -0.467 0.000 2.438 179 S HA 0.272 4.742 4.470 0.000 0.000 0.293 179 S C -0.901 173.493 174.600 -0.344 0.000 1.141 179 S CA -0.762 57.217 58.200 -0.370 0.000 1.080 179 S CB 0.141 63.235 63.200 -0.177 0.000 0.978 179 S HN 0.279 nan 8.310 nan 0.000 0.479 180 Y N 2.274 122.639 120.300 0.108 0.000 2.334 180 Y HA 0.523 5.073 4.550 0.000 0.000 0.328 180 Y C 0.629 176.699 175.900 0.283 0.000 1.130 180 Y CA -0.950 57.268 58.100 0.198 0.000 1.163 180 Y CB 0.954 39.506 38.460 0.153 0.000 1.207 180 Y HN 0.589 nan 8.280 nan 0.000 0.471 181 Q N 1.317 121.417 119.800 0.499 0.000 2.340 181 Q HA 0.681 5.021 4.340 0.000 0.000 0.276 181 Q C -1.277 174.810 176.000 0.146 0.000 1.048 181 Q CA -1.092 54.897 55.803 0.310 0.000 0.832 181 Q CB 1.594 30.405 28.738 0.123 0.000 1.373 181 Q HN 0.789 nan 8.270 nan 0.000 0.409 182 c N 0.402 118.833 118.600 -0.282 0.000 2.382 182 c HA 0.822 5.392 4.570 0.000 0.000 0.363 182 c C -0.055 173.823 174.090 -0.354 0.000 1.213 182 c CA -0.740 55.118 56.329 -0.785 0.000 2.363 182 c CB 1.001 42.723 42.510 -1.314 0.000 2.397 182 c HN 1.031 nan 8.230 nan 0.000 0.573 183 R N 1.730 122.041 120.500 -0.314 0.000 2.360 183 R HA 0.564 4.905 4.340 0.000 0.000 0.318 183 R C -0.254 175.959 176.300 -0.144 0.000 0.950 183 R CA 0.112 56.119 56.100 -0.155 0.000 0.837 183 R CB 1.376 31.663 30.300 -0.021 0.000 1.165 183 R HN 1.048 nan 8.270 nan 0.000 0.458 184 T N 0.840 115.351 114.554 -0.071 0.000 2.925 184 T HA 0.397 4.747 4.350 0.000 0.000 0.285 184 T C -0.387 174.367 174.700 0.089 0.000 1.021 184 T CA -0.897 61.209 62.100 0.010 0.000 1.042 184 T CB 2.026 70.963 68.868 0.116 0.000 1.037 184 T HN 0.462 nan 8.240 nan 0.000 0.481 185 K N 0.768 121.217 120.400 0.081 0.000 2.345 185 K HA 0.213 4.533 4.320 0.000 0.000 0.255 185 K C -1.059 175.594 176.600 0.089 0.000 0.934 185 K CA -0.768 55.585 56.287 0.110 0.000 0.801 185 K CB 1.049 33.597 32.500 0.081 0.000 1.137 185 K HN 0.814 nan 8.250 nan 0.000 0.424 186 H N 5.141 124.234 119.070 0.038 0.000 2.723 186 H HA 0.082 4.638 4.556 0.000 0.000 0.294 186 H C 0.678 176.007 175.328 0.003 0.000 1.079 186 H CA 0.186 56.209 56.048 -0.042 0.000 1.411 186 H CB 0.870 30.593 29.762 -0.065 0.000 1.439 186 H HN 0.690 nan 8.280 nan 0.000 0.474 187 R N 4.173 124.694 120.500 0.034 0.000 2.339 187 R HA 0.032 4.373 4.340 0.000 0.000 0.199 187 R C 0.390 176.795 176.300 0.174 0.000 1.018 187 R CA 0.680 56.841 56.100 0.100 0.000 1.036 187 R CB 0.126 30.457 30.300 0.052 0.000 0.899 187 R HN 0.443 nan 8.270 nan 0.000 0.473 188 L N 0.114 121.552 121.223 0.358 0.000 2.433 188 L HA 0.113 4.453 4.340 0.000 0.000 0.200 188 L C 2.397 179.317 176.870 0.083 0.000 1.059 188 L CA 0.862 55.818 54.840 0.193 0.000 0.835 188 L CB -0.411 41.703 42.059 0.093 0.000 1.076 188 L HN 0.242 nan 8.230 nan 0.000 0.481 189 T N -2.563 111.981 114.554 -0.016 0.000 2.942 189 T HA 0.084 4.434 4.350 0.000 0.000 0.265 189 T C 1.545 176.234 174.700 -0.019 0.000 1.062 189 T CA 0.863 62.867 62.100 -0.160 0.000 1.139 189 T CB 0.027 68.661 68.868 -0.390 0.000 0.883 189 T HN 0.487 nan 8.240 nan 0.000 0.468 190 G N 1.134 109.976 108.800 0.069 0.000 2.136 190 G HA2 -0.200 3.761 3.960 0.000 0.000 0.242 190 G HA3 -0.200 3.761 3.960 0.000 0.000 0.242 190 G C -0.318 174.625 174.900 0.072 0.000 0.989 190 G CA 0.082 45.226 45.100 0.075 0.000 0.682 190 G HN 0.677 nan 8.290 nan 0.000 0.522 191 E N 0.914 121.169 120.200 0.092 0.000 2.216 191 E HA 0.510 4.861 4.350 0.000 0.000 0.279 191 E C 0.275 176.957 176.600 0.137 0.000 0.997 191 E CA 0.008 56.466 56.400 0.096 0.000 0.817 191 E CB 1.121 30.876 29.700 0.091 0.000 1.096 191 E HN 0.358 nan 8.360 nan 0.000 0.393 192 T N 1.230 115.840 114.554 0.094 0.000 2.758 192 T HA 0.556 4.907 4.350 0.000 0.000 0.285 192 T C -0.071 174.654 174.700 0.041 0.000 0.981 192 T CA -0.958 61.192 62.100 0.083 0.000 0.965 192 T CB 0.950 69.855 68.868 0.061 0.000 0.927 192 T HN 0.309 nan 8.240 nan 0.000 0.448 193 R N 2.393 122.910 120.500 0.028 0.000 2.750 193 R HA 0.569 4.909 4.340 0.000 0.000 0.281 193 R C -0.299 175.939 176.300 -0.104 0.000 0.972 193 R CA -1.004 55.064 56.100 -0.053 0.000 0.912 193 R CB 2.098 32.335 30.300 -0.104 0.000 1.187 193 R HN 0.554 nan 8.270 nan 0.000 0.464 194 L N 1.454 122.601 121.223 -0.126 0.000 2.453 194 L HA 0.234 4.575 4.340 0.000 0.000 0.261 194 L C 0.563 177.348 176.870 -0.142 0.000 1.179 194 L CA -0.402 54.351 54.840 -0.145 0.000 0.813 194 L CB 1.007 42.975 42.059 -0.152 0.000 1.110 194 L HN 0.732 nan 8.230 nan 0.000 0.466 195 S N 0.472 116.093 115.700 -0.131 0.000 2.562 195 S HA 0.165 4.635 4.470 0.000 0.000 0.281 195 S C 0.874 175.428 174.600 -0.077 0.000 1.333 195 S CA -0.239 57.895 58.200 -0.110 0.000 1.052 195 S CB 1.351 64.501 63.200 -0.082 0.000 0.884 195 S HN 0.711 nan 8.310 nan 0.000 0.506 196 A N 2.139 124.917 122.820 -0.070 0.000 2.119 196 A HA 0.187 4.508 4.320 0.000 0.000 0.217 196 A C 1.287 178.859 177.584 -0.020 0.000 1.153 196 A CA 0.920 52.934 52.037 -0.038 0.000 0.692 196 A CB -0.642 18.344 19.000 -0.023 0.000 0.799 196 A HN 1.032 nan 8.150 nan 0.000 0.458 197 T N -1.590 112.956 114.554 -0.012 0.000 2.841 197 T HA 0.557 4.908 4.350 0.000 0.000 0.285 197 T C -0.848 173.869 174.700 0.029 0.000 0.991 197 T CA -0.835 61.269 62.100 0.008 0.000 0.966 197 T CB 1.495 70.372 68.868 0.016 0.000 0.962 197 T HN 0.205 nan 8.240 nan 0.000 0.438 198 K N 2.344 122.762 120.400 0.029 0.000 2.258 198 K HA 0.556 4.876 4.320 0.000 0.000 0.284 198 K C 0.783 177.424 176.600 0.069 0.000 1.051 198 K CA -0.762 55.558 56.287 0.055 0.000 0.923 198 K CB 1.334 33.845 32.500 0.018 0.000 1.046 198 K HN 0.815 nan 8.250 nan 0.000 0.474 199 G N 2.369 111.250 108.800 0.135 0.000 2.528 199 G HA2 0.525 4.485 3.960 0.000 0.000 0.289 199 G HA3 0.525 4.485 3.960 0.000 0.000 0.289 199 G C -0.557 174.405 174.900 0.104 0.000 1.192 199 G CA -0.684 44.495 45.100 0.132 0.000 0.921 199 G HN 0.717 nan 8.290 nan 0.000 0.512 200 R N -1.016 119.528 120.500 0.073 0.000 2.734 200 R HA 0.541 4.882 4.340 0.000 0.000 0.271 200 R C -1.459 174.872 176.300 0.051 0.000 1.021 200 R CA -1.068 55.055 56.100 0.038 0.000 0.893 200 R CB 1.354 31.622 30.300 -0.052 0.000 1.244 200 R HN 0.323 nan 8.270 nan 0.000 0.464 201 L N 2.054 123.325 121.223 0.081 0.000 2.259 201 L HA 0.328 4.669 4.340 0.000 0.000 0.288 201 L C -0.537 176.311 176.870 -0.036 0.000 1.051 201 L CA -1.046 53.821 54.840 0.044 0.000 0.824 201 L CB 1.765 43.901 42.059 0.127 0.000 1.206 201 L HN 0.403 nan 8.230 nan 0.000 0.429 202 V N 6.089 125.914 119.914 -0.148 0.000 2.370 202 V HA 0.145 4.266 4.120 0.000 0.000 0.257 202 V C 0.580 176.650 176.094 -0.040 0.000 1.064 202 V CA 0.059 62.267 62.300 -0.153 0.000 0.975 202 V CB 0.336 31.916 31.823 -0.405 0.000 1.067 202 V HN 0.477 nan 8.190 nan 0.000 0.485 203 I N 4.996 125.565 120.570 -0.000 0.000 2.325 203 I HA 0.301 4.472 4.170 0.000 0.000 0.291 203 I C 0.471 176.602 176.117 0.024 0.000 1.019 203 I CA 0.128 61.440 61.300 0.019 0.000 1.302 203 I CB 1.139 39.152 38.000 0.021 0.000 1.401 203 I HN 0.471 nan 8.210 nan 0.000 0.485 204 T N 5.213 119.784 114.554 0.028 0.000 2.823 204 T HA 0.327 4.677 4.350 0.000 0.000 0.279 204 T C -0.294 174.388 174.700 -0.031 0.000 0.998 204 T CA -0.760 61.347 62.100 0.011 0.000 0.994 204 T CB 1.423 70.308 68.868 0.029 0.000 0.960 204 T HN 0.460 nan 8.240 nan 0.000 0.448 205 E N 3.409 123.579 120.200 -0.051 0.000 2.197 205 E HA 0.325 4.675 4.350 0.000 0.000 0.281 205 E C -2.206 174.291 176.600 -0.171 0.000 0.995 205 E CA -1.998 54.345 56.400 -0.096 0.000 0.808 205 E CB 0.790 30.451 29.700 -0.064 0.000 1.093 205 E HN 0.358 nan 8.360 nan 0.000 0.394 206 P HA 0.116 nan 4.420 nan 0.000 0.282 206 P C -0.280 176.764 177.300 -0.428 0.000 1.262 206 P CA -0.026 62.733 63.100 -0.568 0.000 0.773 206 P CB 1.021 31.849 31.700 -1.454 0.000 0.879 207 I N -0.079 120.338 120.570 -0.255 0.000 3.623 207 I HA 0.073 4.243 4.170 0.000 0.000 0.253 207 I C 0.862 176.948 176.117 -0.051 0.000 1.144 207 I CA 0.396 61.621 61.300 -0.123 0.000 1.461 207 I CB -1.195 36.763 38.000 -0.071 0.000 1.575 207 I HN 0.177 nan 8.210 nan 0.000 0.445 208 S N 2.121 117.801 115.700 -0.033 0.000 2.565 208 S HA 0.211 4.682 4.470 0.000 0.000 0.276 208 S C 0.494 175.141 174.600 0.078 0.000 1.326 208 S CA -0.145 58.066 58.200 0.019 0.000 1.045 208 S CB 0.771 63.976 63.200 0.008 0.000 0.918 208 S HN 0.175 nan 8.310 nan 0.000 0.505 209 S N 2.974 118.742 115.700 0.112 0.000 2.423 209 S HA 0.334 4.804 4.470 0.000 0.000 0.302 209 S C 0.317 174.977 174.600 0.101 0.000 1.143 209 S CA -0.640 57.655 58.200 0.160 0.000 1.080 209 S CB -0.112 63.146 63.200 0.097 0.000 1.081 209 S HN 0.781 nan 8.310 nan 0.000 0.522 210 A N 4.170 127.066 122.820 0.128 0.000 2.289 210 A HA 0.544 4.864 4.320 0.000 0.000 0.298 210 A C 0.290 177.903 177.584 0.049 0.000 1.208 210 A CA -0.641 51.441 52.037 0.075 0.000 0.845 210 A CB 0.304 19.350 19.000 0.077 0.000 1.125 210 A HN 0.578 nan 8.150 nan 0.000 0.517 211 V N 4.297 124.224 119.914 0.021 0.000 2.763 211 V HA 0.103 4.224 4.120 0.000 0.000 0.306 211 V C -1.962 174.131 176.094 -0.002 0.000 1.059 211 V CA -0.777 61.523 62.300 -0.001 0.000 1.138 211 V CB 0.425 32.244 31.823 -0.007 0.000 0.940 211 V HN 0.772 nan 8.190 nan 0.000 0.489 212 P HA 0.204 nan 4.420 nan 0.000 0.267 212 P C -0.624 176.671 177.300 -0.007 0.000 1.209 212 P CA 0.166 63.250 63.100 -0.027 0.000 0.763 212 P CB 0.360 32.008 31.700 -0.086 0.000 0.816 213 K N 2.469 122.880 120.400 0.019 0.000 2.371 213 K HA 0.559 4.880 4.320 0.000 0.000 0.251 213 K C -0.713 175.916 176.600 0.048 0.000 0.934 213 K CA -1.008 55.294 56.287 0.026 0.000 0.798 213 K CB 1.599 34.114 32.500 0.025 0.000 1.204 213 K HN 0.256 nan 8.250 nan 0.000 0.427 214 V N 0.056 119.999 119.914 0.047 0.000 2.994 214 V HA 0.488 4.608 4.120 0.000 0.000 0.318 214 V C -0.092 176.036 176.094 0.055 0.000 1.085 214 V CA -0.833 61.505 62.300 0.064 0.000 0.998 214 V CB 1.754 33.618 31.823 0.068 0.000 1.063 214 V HN 0.467 nan 8.190 nan 0.000 0.447 215 V N 3.075 123.026 119.914 0.062 0.000 2.248 215 V HA 0.168 4.288 4.120 0.000 0.000 0.309 215 V C 1.490 177.616 176.094 0.053 0.000 1.722 215 V CA 1.005 63.338 62.300 0.054 0.000 1.693 215 V CB -1.901 29.956 31.823 0.057 0.000 1.470 215 V HN 1.152 nan 8.190 nan 0.000 0.518 216 S N 1.456 117.185 115.700 0.048 0.000 4.157 216 S HA -0.444 4.026 4.470 0.000 0.000 0.538 216 S C 1.575 176.213 174.600 0.064 0.000 1.476 216 S CA 2.490 60.719 58.200 0.048 0.000 3.851 216 S CB -1.192 62.031 63.200 0.038 0.000 1.659 216 S HN 0.653 nan 8.310 nan 0.000 0.454 217 L N 1.967 123.226 121.223 0.061 0.000 2.043 217 L HA -0.134 4.207 4.340 0.000 0.000 0.212 217 L C 2.264 179.188 176.870 0.089 0.000 1.075 217 L CA 2.133 57.015 54.840 0.070 0.000 0.752 217 L CB -0.557 41.533 42.059 0.052 0.000 0.891 217 L HN 0.611 nan 8.230 nan 0.000 0.432 218 A N -0.932 121.938 122.820 0.083 0.000 2.259 218 A HA -0.212 4.108 4.320 0.000 0.000 0.212 218 A C 2.201 179.862 177.584 0.128 0.000 1.178 218 A CA 1.357 53.452 52.037 0.096 0.000 0.734 218 A CB -0.605 18.446 19.000 0.085 0.000 0.774 218 A HN 0.517 nan 8.150 nan 0.000 0.481 219 K N -1.869 118.611 120.400 0.135 0.000 2.288 219 K HA 0.010 4.330 4.320 0.000 0.000 0.201 219 K C -0.616 176.146 176.600 0.271 0.000 1.048 219 K CA 0.561 56.940 56.287 0.152 0.000 0.956 219 K CB -0.009 32.554 32.500 0.104 0.000 0.746 219 K HN 0.328 nan 8.250 nan 0.000 0.461 220 F N 0.528 120.515 119.950 0.062 0.000 2.581 220 F HA 0.350 4.877 4.527 0.000 0.000 0.311 220 F C -1.586 174.253 175.800 0.065 0.000 1.113 220 F CA -1.983 56.059 58.000 0.070 0.000 0.935 220 F CB 1.751 40.785 39.000 0.056 0.000 1.232 220 F HN -0.016 nan 8.300 nan 0.000 0.445 221 D N 6.100 126.403 120.400 -0.162 0.000 2.717 221 D HA 0.369 5.010 4.640 0.000 0.000 0.223 221 D C -1.755 174.378 176.300 -0.278 0.000 1.240 221 D CA -0.408 53.460 54.000 -0.221 0.000 0.801 221 D CB 2.293 43.083 40.800 -0.018 0.000 1.556 221 D HN 0.580 nan 8.370 nan 0.000 0.462 222 M N 2.317 121.767 119.600 -0.249 0.000 2.243 222 M HA 0.418 4.898 4.480 0.000 0.000 0.324 222 M C -0.313 175.916 176.300 -0.118 0.000 1.031 222 M CA -0.623 54.580 55.300 -0.162 0.000 0.949 222 M CB 2.483 34.974 32.600 -0.181 0.000 1.615 222 M HN 0.060 nan 8.290 nan 0.000 0.430 223 K N 1.306 121.655 120.400 -0.086 0.000 2.318 223 K HA 0.645 4.965 4.320 0.000 0.000 0.249 223 K C -0.966 175.539 176.600 -0.157 0.000 0.942 223 K CA -0.680 55.496 56.287 -0.184 0.000 0.808 223 K CB 2.484 34.824 32.500 -0.267 0.000 1.189 223 K HN 0.559 nan 8.250 nan 0.000 0.428 224 T N 2.155 116.565 114.554 -0.240 0.000 2.991 224 T HA 0.296 4.646 4.350 0.000 0.000 0.347 224 T C -0.994 173.605 174.700 -0.167 0.000 1.122 224 T CA -0.593 61.429 62.100 -0.131 0.000 1.062 224 T CB -0.117 68.697 68.868 -0.090 0.000 1.043 224 T HN 0.310 nan 8.240 nan 0.000 0.491 225 Y N 1.989 122.282 120.300 -0.012 0.000 2.320 225 Y HA 0.434 4.984 4.550 0.000 0.000 0.324 225 Y C 1.424 177.315 175.900 -0.015 0.000 1.190 225 Y CA -0.820 57.269 58.100 -0.020 0.000 1.215 225 Y CB 1.096 39.541 38.460 -0.025 0.000 1.221 225 Y HN 0.627 nan 8.280 nan 0.000 0.486 226 S N 1.100 116.909 115.700 0.181 0.000 2.593 226 S HA 0.366 4.836 4.470 0.000 0.000 0.269 226 S C 0.463 175.108 174.600 0.075 0.000 1.334 226 S CA -0.651 57.604 58.200 0.092 0.000 1.015 226 S CB 0.786 64.025 63.200 0.065 0.000 0.912 226 S HN 0.926 nan 8.310 nan 0.000 0.541 227 G N 0.217 109.045 108.800 0.046 0.000 2.491 227 G HA2 0.340 4.300 3.960 0.000 0.000 0.238 227 G HA3 0.340 4.300 3.960 0.000 0.000 0.238 227 G C 0.334 175.241 174.900 0.011 0.000 1.277 227 G CA -0.035 45.082 45.100 0.029 0.000 0.851 227 G HN 1.710 nan 8.290 nan 0.000 0.573 228 S N -0.899 114.799 115.700 -0.004 0.000 3.491 228 S HA -0.185 4.285 4.470 0.000 0.000 0.371 228 S C 0.885 175.466 174.600 -0.032 0.000 0.980 228 S CA 0.971 59.158 58.200 -0.020 0.000 1.204 228 S CB -1.527 61.666 63.200 -0.011 0.000 0.915 228 S HN 1.927 nan 8.310 nan 0.000 0.482 229 S N -0.123 115.545 115.700 -0.052 0.000 2.801 229 S HA 0.813 5.284 4.470 0.000 0.000 0.312 229 S C -0.189 174.325 174.600 -0.143 0.000 1.112 229 S CA -0.508 57.648 58.200 -0.074 0.000 0.943 229 S CB 1.744 64.917 63.200 -0.045 0.000 1.269 229 S HN 0.311 nan 8.310 nan 0.000 0.558 230 T N 2.038 116.489 114.554 -0.172 0.000 2.770 230 T HA 0.479 4.830 4.350 0.000 0.000 0.297 230 T C -0.369 174.089 174.700 -0.403 0.000 0.997 230 T CA -0.253 61.709 62.100 -0.230 0.000 0.949 230 T CB 0.110 68.886 68.868 -0.153 0.000 0.941 230 T HN 0.486 nan 8.240 nan 0.000 0.457 231 M N 2.576 121.838 119.600 -0.563 0.000 2.277 231 M HA 0.644 5.124 4.480 0.000 0.000 0.350 231 M C 0.101 176.073 176.300 -0.546 0.000 1.180 231 M CA -0.780 53.928 55.300 -0.987 0.000 1.103 231 M CB 1.404 33.414 32.600 -0.982 0.000 1.577 231 M HN 0.567 nan 8.290 nan 0.000 0.459 232 A N 4.534 127.132 122.820 -0.370 0.000 2.431 232 A HA 0.662 4.982 4.320 0.000 0.000 0.318 232 A C -0.819 176.725 177.584 -0.066 0.000 1.330 232 A CA -0.675 51.263 52.037 -0.165 0.000 0.804 232 A CB 0.307 19.271 19.000 -0.059 0.000 1.135 232 A HN 0.869 nan 8.150 nan 0.000 0.483 233 L N 3.112 124.210 121.223 -0.209 0.000 2.265 233 L HA 0.473 4.813 4.340 0.000 0.000 0.288 233 L C -0.714 176.147 176.870 -0.015 0.000 1.058 233 L CA -0.536 54.211 54.840 -0.155 0.000 0.809 233 L CB 0.972 42.717 42.059 -0.523 0.000 1.179 233 L HN 0.521 nan 8.230 nan 0.000 0.429 234 L N 2.928 124.252 121.223 0.169 0.000 2.334 234 L HA 0.432 4.772 4.340 0.000 0.000 0.270 234 L C -0.064 176.999 176.870 0.322 0.000 1.018 234 L CA -0.098 54.862 54.840 0.201 0.000 0.811 234 L CB 1.856 43.988 42.059 0.121 0.000 1.271 234 L HN 0.609 nan 8.230 nan 0.000 0.443 235 c N 2.263 120.976 118.600 0.188 0.000 3.465 235 c HA 0.446 5.016 4.570 0.000 0.000 0.193 235 c C -2.423 171.730 174.090 0.105 0.000 1.515 235 c CA -1.596 54.801 56.329 0.114 0.000 1.340 235 c CB -0.555 41.950 42.510 -0.009 0.000 1.928 235 c HN 0.544 nan 8.230 nan 0.000 0.510 236 P HA 0.265 nan 4.420 nan 0.000 0.256 236 P C -0.440 176.957 177.300 0.162 0.000 1.189 236 P CA 1.046 64.214 63.100 0.114 0.000 0.808 236 P CB 0.163 31.922 31.700 0.097 0.000 0.793 237 A N 3.544 126.505 122.820 0.236 0.000 2.466 237 A HA 0.403 4.723 4.320 0.000 0.000 0.284 237 A C -0.544 177.182 177.584 0.238 0.000 1.049 237 A CA -0.589 51.595 52.037 0.246 0.000 0.760 237 A CB 1.112 20.297 19.000 0.308 0.000 1.274 237 A HN 0.404 nan 8.150 nan 0.000 0.412 238 Q N 0.251 120.133 119.800 0.136 0.000 2.195 238 Q HA 0.809 5.149 4.340 0.000 0.000 0.250 238 Q C 0.204 176.250 176.000 0.077 0.000 0.988 238 Q CA -0.268 55.604 55.803 0.115 0.000 0.911 238 Q CB 2.316 31.110 28.738 0.094 0.000 1.258 238 Q HN 1.396 nan 8.270 nan 0.000 0.475 239 G N -0.091 108.760 108.800 0.084 0.000 2.328 239 G HA2 0.258 4.218 3.960 0.000 0.000 0.299 239 G HA3 0.258 4.218 3.960 0.000 0.000 0.299 239 G C -2.596 172.390 174.900 0.144 0.000 1.435 239 G CA -0.660 44.487 45.100 0.078 0.000 0.865 239 G HN 0.424 nan 8.290 nan 0.000 0.601 240 Y N 0.593 120.884 120.300 -0.014 0.000 2.433 240 Y HA 0.631 5.182 4.550 0.000 0.000 0.337 240 Y C -2.504 173.384 175.900 -0.020 0.000 1.026 240 Y CA -1.711 56.382 58.100 -0.013 0.000 1.037 240 Y CB 2.844 41.301 38.460 -0.004 0.000 1.245 240 Y HN 0.532 nan 8.280 nan 0.000 0.443 241 P HA 0.022 nan 4.420 nan 0.000 0.270 241 P C -0.821 176.243 177.300 -0.393 0.000 1.227 241 P CA -0.127 62.407 63.100 -0.943 0.000 0.788 241 P CB 0.539 31.872 31.700 -0.611 0.000 0.926 242 V N 4.072 123.807 119.914 -0.298 0.000 2.506 242 V HA -0.011 4.110 4.120 0.000 0.000 0.296 242 V C -1.306 174.720 176.094 -0.114 0.000 1.004 242 V CA -0.299 61.947 62.300 -0.089 0.000 1.150 242 V CB -0.793 31.015 31.823 -0.025 0.000 0.911 242 V HN 0.641 nan 8.190 nan 0.000 0.476 243 P HA 0.388 nan 4.420 nan 0.000 0.277 243 P C -0.947 176.186 177.300 -0.279 0.000 1.271 243 P CA -0.320 62.633 63.100 -0.244 0.000 0.795 243 P CB 1.130 32.614 31.700 -0.360 0.000 1.101 244 V N 0.106 119.815 119.914 -0.342 0.000 2.604 244 V HA 0.397 4.518 4.120 0.000 0.000 0.305 244 V C -0.347 175.534 176.094 -0.355 0.000 1.043 244 V CA -0.434 61.732 62.300 -0.223 0.000 0.888 244 V CB 1.129 32.897 31.823 -0.091 0.000 0.995 244 V HN 0.320 nan 8.190 nan 0.000 0.429 245 F N 3.316 123.258 119.950 -0.014 0.000 2.427 245 F HA 0.687 5.214 4.527 0.000 0.000 0.346 245 F C 0.638 176.413 175.800 -0.041 0.000 1.120 245 F CA -0.514 57.455 58.000 -0.052 0.000 1.033 245 F CB 1.498 40.483 39.000 -0.024 0.000 1.126 245 F HN 0.300 nan 8.300 nan 0.000 0.462 246 R N 2.453 122.991 120.500 0.063 0.000 2.562 246 R HA 0.447 4.787 4.340 0.000 0.000 0.298 246 R C -1.744 174.531 176.300 -0.042 0.000 0.961 246 R CA -0.810 55.314 56.100 0.041 0.000 0.881 246 R CB 1.819 32.186 30.300 0.113 0.000 1.159 246 R HN 0.608 nan 8.270 nan 0.000 0.450 247 W N 2.045 123.295 121.300 -0.083 0.000 2.573 247 W HA 0.438 5.099 4.660 0.000 0.000 0.326 247 W C -0.617 175.749 176.519 -0.255 0.000 1.049 247 W CA -0.218 57.114 57.345 -0.023 0.000 1.220 247 W CB 1.209 30.667 29.460 -0.003 0.000 1.373 247 W HN 0.441 nan 8.180 nan 0.000 0.507 248 Y N 1.387 121.857 120.300 0.284 0.000 2.545 248 Y HA 0.417 4.968 4.550 0.000 0.000 0.348 248 Y C -0.203 175.745 175.900 0.080 0.000 1.002 248 Y CA -1.537 56.611 58.100 0.080 0.000 1.039 248 Y CB 2.208 40.579 38.460 -0.147 0.000 1.271 248 Y HN 0.155 nan 8.280 nan 0.000 0.467 249 K N 2.254 122.704 120.400 0.084 0.000 2.323 249 K HA 0.482 4.802 4.320 0.000 0.000 0.259 249 K C -1.510 174.985 176.600 -0.175 0.000 0.947 249 K CA -0.585 55.600 56.287 -0.169 0.000 0.819 249 K CB 0.832 33.175 32.500 -0.262 0.000 1.109 249 K HN 0.505 nan 8.250 nan 0.000 0.429 250 F N 3.246 123.157 119.950 -0.065 0.000 2.459 250 F HA 0.171 4.699 4.527 0.000 0.000 0.346 250 F C 0.726 176.489 175.800 -0.062 0.000 1.128 250 F CA -0.220 57.757 58.000 -0.038 0.000 1.268 250 F CB 0.359 39.340 39.000 -0.032 0.000 1.161 250 F HN 0.360 nan 8.300 nan 0.000 0.583 251 I N 1.837 122.512 120.570 0.175 0.000 2.471 251 I HA 0.024 4.194 4.170 0.000 0.000 0.286 251 I C 0.236 176.383 176.117 0.050 0.000 1.079 251 I CA -0.392 60.948 61.300 0.067 0.000 1.398 251 I CB 0.425 38.444 38.000 0.032 0.000 1.403 251 I HN 0.460 nan 8.210 nan 0.000 0.530 252 E N 5.559 125.770 120.200 0.020 0.000 3.587 252 E HA -0.076 4.275 4.350 0.000 0.000 0.235 252 E C 1.323 177.922 176.600 -0.002 0.000 0.912 252 E CA 1.373 57.779 56.400 0.010 0.000 0.933 252 E CB -0.681 29.022 29.700 0.004 0.000 0.865 252 E HN 0.838 nan 8.360 nan 0.000 0.567 253 G N 2.607 111.404 108.800 -0.006 0.000 2.304 253 G HA2 -0.365 3.595 3.960 0.000 0.000 0.252 253 G HA3 -0.365 3.595 3.960 0.000 0.000 0.252 253 G C 0.583 175.448 174.900 -0.058 0.000 1.014 253 G CA 0.748 45.830 45.100 -0.031 0.000 0.619 253 G HN 1.031 nan 8.290 nan 0.000 0.525 254 T N -1.738 112.792 114.554 -0.041 0.000 2.824 254 T HA 0.532 4.882 4.350 0.000 0.000 0.277 254 T C 1.624 176.286 174.700 -0.064 0.000 0.975 254 T CA 1.131 63.203 62.100 -0.047 0.000 0.966 254 T CB 1.268 70.120 68.868 -0.027 0.000 1.054 254 T HN 0.989 nan 8.240 nan 0.000 0.533 255 T N -2.049 112.477 114.554 -0.048 0.000 3.129 255 T HA 0.171 4.521 4.350 0.000 0.000 0.251 255 T C 0.625 175.408 174.700 0.137 0.000 1.117 255 T CA -0.518 61.561 62.100 -0.036 0.000 1.034 255 T CB -0.129 68.712 68.868 -0.045 0.000 0.968 255 T HN 0.429 nan 8.240 nan 0.000 0.526 256 R N 2.698 123.279 120.500 0.135 0.000 2.410 256 R HA 0.509 4.850 4.340 0.000 0.000 0.288 256 R C 0.074 176.508 176.300 0.224 0.000 1.051 256 R CA -0.321 55.860 56.100 0.134 0.000 1.021 256 R CB 0.699 31.029 30.300 0.050 0.000 1.032 256 R HN 0.639 nan 8.270 nan 0.000 0.481 257 K N 0.937 121.398 120.400 0.100 0.000 2.422 257 K HA 0.414 4.734 4.320 0.000 0.000 0.251 257 K C -0.720 175.904 176.600 0.040 0.000 0.933 257 K CA -0.841 55.425 56.287 -0.034 0.000 0.798 257 K CB 2.245 34.506 32.500 -0.398 0.000 1.238 257 K HN 0.359 nan 8.250 nan 0.000 0.428 258 Q N 0.890 120.725 119.800 0.058 0.000 2.266 258 Q HA 0.495 4.836 4.340 0.000 0.000 0.261 258 Q C -0.749 175.337 176.000 0.143 0.000 0.985 258 Q CA -1.097 54.766 55.803 0.100 0.000 0.873 258 Q CB 2.216 30.984 28.738 0.049 0.000 1.306 258 Q HN 0.792 nan 8.270 nan 0.000 0.447 259 A N 1.719 124.593 122.820 0.091 0.000 2.440 259 A HA 0.293 4.613 4.320 0.000 0.000 0.251 259 A C -0.081 177.454 177.584 -0.081 0.000 1.089 259 A CA -0.434 51.503 52.037 -0.167 0.000 0.779 259 A CB 0.324 19.210 19.000 -0.189 0.000 1.022 259 A HN 0.534 nan 8.150 nan 0.000 0.492 260 V N 3.066 122.927 119.914 -0.089 0.000 2.655 260 V HA 0.090 4.210 4.120 0.000 0.000 0.300 260 V C 0.387 176.472 176.094 -0.015 0.000 1.044 260 V CA -0.108 62.205 62.300 0.021 0.000 1.095 260 V CB 1.189 33.064 31.823 0.088 0.000 0.952 260 V HN 0.551 nan 8.190 nan 0.000 0.485 261 V N 7.113 127.026 119.914 -0.002 0.000 2.368 261 V HA 0.274 4.394 4.120 0.000 0.000 0.266 261 V C 0.203 176.277 176.094 -0.033 0.000 1.045 261 V CA -0.266 62.024 62.300 -0.015 0.000 0.899 261 V CB 0.808 32.628 31.823 -0.005 0.000 1.006 261 V HN 0.583 nan 8.190 nan 0.000 0.470 262 L N 6.691 127.889 121.223 -0.041 0.000 2.397 262 L HA 0.475 4.815 4.340 0.000 0.000 0.271 262 L C 0.560 177.397 176.870 -0.055 0.000 1.148 262 L CA 0.214 55.021 54.840 -0.055 0.000 0.825 262 L CB 0.747 42.777 42.059 -0.049 0.000 1.117 262 L HN 0.947 nan 8.230 nan 0.000 0.456 263 N N -0.060 118.603 118.700 -0.063 0.000 3.687 263 N HA 0.082 4.822 4.740 0.000 0.000 0.348 263 N C -0.113 175.359 175.510 -0.063 0.000 1.430 263 N CA -0.465 52.550 53.050 -0.059 0.000 0.697 263 N CB 0.263 38.719 38.487 -0.051 0.000 3.045 263 N HN 0.260 nan 8.380 nan 0.000 0.516 264 D N -0.368 119.997 120.400 -0.058 0.000 2.216 264 D HA 0.075 4.716 4.640 0.000 0.000 0.208 264 D C 1.659 177.918 176.300 -0.068 0.000 0.960 264 D CA 0.682 54.646 54.000 -0.060 0.000 0.861 264 D CB 0.599 41.369 40.800 -0.050 0.000 0.985 264 D HN 0.441 nan 8.370 nan 0.000 0.493 265 R N 0.431 120.891 120.500 -0.067 0.000 2.062 265 R HA 0.030 4.370 4.340 0.000 0.000 0.226 265 R C 0.210 176.449 176.300 -0.102 0.000 1.125 265 R CA 0.664 56.719 56.100 -0.076 0.000 0.966 265 R CB 0.305 30.567 30.300 -0.063 0.000 0.861 265 R HN -0.102 nan 8.270 nan 0.000 0.433 266 V N 1.845 121.696 119.914 -0.105 0.000 2.370 266 V HA 0.322 4.442 4.120 0.000 0.000 0.283 266 V C -0.452 175.560 176.094 -0.137 0.000 1.023 266 V CA -0.533 61.682 62.300 -0.141 0.000 0.857 266 V CB 1.462 33.201 31.823 -0.139 0.000 0.985 266 V HN 0.156 nan 8.190 nan 0.000 0.443 267 K N 3.047 123.349 120.400 -0.164 0.000 2.443 267 K HA 0.562 4.883 4.320 0.000 0.000 0.251 267 K C -1.089 175.406 176.600 -0.176 0.000 0.972 267 K CA -0.765 55.436 56.287 -0.143 0.000 0.833 267 K CB 2.367 34.793 32.500 -0.124 0.000 1.317 267 K HN 0.688 nan 8.250 nan 0.000 0.441 268 Q N 2.859 122.581 119.800 -0.129 0.000 2.357 268 Q HA 0.306 4.646 4.340 0.000 0.000 0.266 268 Q C -1.559 174.385 176.000 -0.094 0.000 1.021 268 Q CA -0.699 55.036 55.803 -0.114 0.000 0.784 268 Q CB 1.702 30.429 28.738 -0.020 0.000 1.243 268 Q HN 0.327 nan 8.270 nan 0.000 0.465 269 V N 4.087 123.908 119.914 -0.154 0.000 2.334 269 V HA 0.174 4.294 4.120 0.000 0.000 0.267 269 V C 0.800 176.822 176.094 -0.120 0.000 1.040 269 V CA 0.557 62.761 62.300 -0.160 0.000 0.866 269 V CB 0.256 31.903 31.823 -0.293 0.000 1.019 269 V HN 1.094 nan 8.190 nan 0.000 0.468 270 S N 5.218 120.916 115.700 -0.003 0.000 4.150 270 S HA -0.269 4.201 4.470 0.000 0.000 0.575 270 S C 1.653 176.238 174.600 -0.024 0.000 1.878 270 S CA 2.091 60.321 58.200 0.049 0.000 4.245 270 S CB -1.516 61.758 63.200 0.124 0.000 0.231 270 S HN 1.285 nan 8.310 nan 0.000 0.469 271 G N 0.474 109.081 108.800 -0.321 0.000 2.796 271 G HA2 0.361 4.321 3.960 0.000 0.000 0.210 271 G HA3 0.361 4.321 3.960 0.000 0.000 0.210 271 G C 0.331 175.147 174.900 -0.140 0.000 1.146 271 G CA 0.987 45.602 45.100 -0.809 0.000 0.779 271 G HN 0.765 nan 8.290 nan 0.000 0.535 272 T N 1.505 115.990 114.554 -0.116 0.000 2.780 272 T HA 0.394 4.745 4.350 0.000 0.000 0.294 272 T C -0.680 173.909 174.700 -0.185 0.000 0.949 272 T CA -0.264 61.784 62.100 -0.087 0.000 1.074 272 T CB 1.952 70.669 68.868 -0.251 0.000 0.910 272 T HN 0.029 nan 8.240 nan 0.000 0.501 273 L N 5.819 126.811 121.223 -0.385 0.000 2.276 273 L HA 0.540 4.880 4.340 0.000 0.000 0.286 273 L C -0.740 175.826 176.870 -0.507 0.000 1.061 273 L CA -0.191 54.251 54.840 -0.663 0.000 0.807 273 L CB 0.199 41.389 42.059 -1.447 0.000 1.177 273 L HN 0.581 nan 8.230 nan 0.000 0.429 274 I N 6.514 126.852 120.570 -0.387 0.000 2.354 274 I HA 0.367 4.537 4.170 0.000 0.000 0.292 274 I C -0.487 175.442 176.117 -0.314 0.000 0.989 274 I CA -0.450 60.657 61.300 -0.322 0.000 1.188 274 I CB 1.483 39.335 38.000 -0.247 0.000 1.342 274 I HN 0.484 nan 8.210 nan 0.000 0.457 275 I N 6.771 127.145 120.570 -0.325 0.000 2.382 275 I HA 0.304 4.474 4.170 0.000 0.000 0.285 275 I C -0.081 175.897 176.117 -0.232 0.000 1.007 275 I CA -0.713 60.419 61.300 -0.279 0.000 1.142 275 I CB 1.194 39.006 38.000 -0.313 0.000 1.289 275 I HN 0.491 nan 8.210 nan 0.000 0.453 276 K N 4.855 125.150 120.400 -0.174 0.000 2.098 276 K HA 0.239 4.559 4.320 0.000 0.000 0.257 276 K C -0.535 175.996 176.600 -0.115 0.000 0.999 276 K CA -0.720 55.483 56.287 -0.140 0.000 0.924 276 K CB 0.573 33.007 32.500 -0.111 0.000 1.028 276 K HN 0.494 nan 8.250 nan 0.000 0.466 277 D N 0.271 120.613 120.400 -0.097 0.000 2.904 277 D HA -0.178 4.462 4.640 0.000 0.000 0.231 277 D C -0.461 175.799 176.300 -0.065 0.000 1.185 277 D CA 0.786 54.744 54.000 -0.069 0.000 0.783 277 D CB -1.123 39.645 40.800 -0.053 0.000 0.961 277 D HN 0.693 nan 8.370 nan 0.000 0.409 278 A N 0.182 122.955 122.820 -0.077 0.000 2.483 278 A HA 0.511 4.831 4.320 0.000 0.000 0.238 278 A C 0.874 178.445 177.584 -0.022 0.000 1.070 278 A CA 0.207 52.207 52.037 -0.062 0.000 0.770 278 A CB 0.810 19.764 19.000 -0.077 0.000 1.008 278 A HN 0.774 nan 8.150 nan 0.000 0.497 279 V N 0.401 120.313 119.914 -0.003 0.000 3.102 279 V HA 0.532 4.652 4.120 0.000 0.000 0.312 279 V C 0.900 177.014 176.094 0.034 0.000 1.135 279 V CA -0.396 61.913 62.300 0.015 0.000 1.022 279 V CB 1.120 32.950 31.823 0.012 0.000 1.056 279 V HN 0.649 nan 8.190 nan 0.000 0.436 280 V N 0.458 120.395 119.914 0.038 0.000 2.469 280 V HA -0.144 3.976 4.120 0.000 0.000 0.251 280 V C 2.538 178.666 176.094 0.056 0.000 1.064 280 V CA 2.413 64.743 62.300 0.050 0.000 1.066 280 V CB -1.059 30.792 31.823 0.046 0.000 0.667 280 V HN 1.065 nan 8.190 nan 0.000 0.461 281 E N 0.229 120.458 120.200 0.048 0.000 2.209 281 E HA -0.186 4.165 4.350 0.000 0.000 0.196 281 E C 1.763 178.404 176.600 0.068 0.000 0.993 281 E CA 1.094 57.524 56.400 0.049 0.000 0.819 281 E CB -0.367 29.356 29.700 0.038 0.000 0.745 281 E HN 0.600 nan 8.360 nan 0.000 0.477 282 D N 0.054 120.504 120.400 0.083 0.000 2.371 282 D HA 0.008 4.649 4.640 0.000 0.000 0.221 282 D C 0.038 176.462 176.300 0.207 0.000 0.986 282 D CA 0.320 54.404 54.000 0.141 0.000 0.899 282 D CB 0.009 40.865 40.800 0.092 0.000 0.902 282 D HN -0.010 nan 8.370 nan 0.000 0.530 283 S N -0.039 115.746 115.700 0.142 0.000 2.568 283 S HA 0.478 4.948 4.470 0.000 0.000 0.282 283 S C 0.801 175.466 174.600 0.107 0.000 1.338 283 S CA 0.149 58.437 58.200 0.146 0.000 1.045 283 S CB 1.533 64.793 63.200 0.100 0.000 0.873 283 S HN 0.439 nan 8.310 nan 0.000 0.516 284 G N 1.409 110.278 108.800 0.114 0.000 2.352 284 G HA2 0.223 4.183 3.960 0.000 0.000 0.283 284 G HA3 0.223 4.183 3.960 0.000 0.000 0.283 284 G C -1.723 173.220 174.900 0.071 0.000 1.308 284 G CA -1.006 44.108 45.100 0.024 0.000 0.892 284 G HN 0.614 nan 8.290 nan 0.000 0.504 285 K N 0.349 120.785 120.400 0.061 0.000 2.281 285 K HA 0.606 4.926 4.320 0.000 0.000 0.272 285 K C -1.286 175.447 176.600 0.222 0.000 1.048 285 K CA -0.526 55.902 56.287 0.236 0.000 0.898 285 K CB 0.477 33.139 32.500 0.271 0.000 1.128 285 K HN 0.402 nan 8.250 nan 0.000 0.460 286 Y N 3.474 123.999 120.300 0.375 0.000 2.342 286 Y HA 0.335 4.886 4.550 0.000 0.000 0.334 286 Y C -0.334 175.822 175.900 0.428 0.000 1.067 286 Y CA -0.871 57.456 58.100 0.379 0.000 1.128 286 Y CB 1.375 40.057 38.460 0.370 0.000 1.200 286 Y HN 0.425 nan 8.280 nan 0.000 0.464 287 L N 4.680 126.169 121.223 0.442 0.000 2.356 287 L HA 0.588 4.928 4.340 0.000 0.000 0.277 287 L C -1.174 175.742 176.870 0.077 0.000 0.996 287 L CA -1.004 53.968 54.840 0.220 0.000 0.822 287 L CB 1.157 43.198 42.059 -0.029 0.000 1.256 287 L HN 0.791 nan 8.230 nan 0.000 0.413 288 c N 5.957 124.360 118.600 -0.327 0.000 2.303 288 c HA 0.826 5.397 4.570 0.000 0.000 0.326 288 c C -0.310 173.587 174.090 -0.321 0.000 1.285 288 c CA -0.430 55.409 56.329 -0.816 0.000 1.675 288 c CB 0.371 41.889 42.510 -1.652 0.000 2.289 288 c HN 0.673 nan 8.230 nan 0.000 0.512 289 V N 6.550 126.356 119.914 -0.180 0.000 2.435 289 V HA 0.562 4.682 4.120 0.000 0.000 0.290 289 V C -0.070 175.950 176.094 -0.124 0.000 1.030 289 V CA -0.391 61.851 62.300 -0.096 0.000 0.881 289 V CB 1.563 33.374 31.823 -0.020 0.000 0.983 289 V HN 0.745 nan 8.190 nan 0.000 0.445 290 V N 5.720 125.532 119.914 -0.171 0.000 2.376 290 V HA 0.595 4.715 4.120 0.000 0.000 0.287 290 V C -0.503 175.427 176.094 -0.274 0.000 1.015 290 V CA -0.271 61.816 62.300 -0.356 0.000 0.834 290 V CB 1.582 33.126 31.823 -0.464 0.000 1.001 290 V HN 1.020 nan 8.190 nan 0.000 0.428 291 N N 5.167 123.710 118.700 -0.263 0.000 2.404 291 N HA 0.703 5.444 4.740 0.000 0.000 0.297 291 N C -0.882 174.515 175.510 -0.190 0.000 1.163 291 N CA -0.714 52.230 53.050 -0.177 0.000 0.864 291 N CB 1.653 40.071 38.487 -0.115 0.000 1.247 291 N HN 0.911 nan 8.380 nan 0.000 0.510 292 N N -2.254 116.361 118.700 -0.141 0.000 3.243 292 N HA 0.185 4.925 4.740 0.000 0.000 0.280 292 N C -0.095 175.355 175.510 -0.100 0.000 1.545 292 N CA -0.556 52.416 53.050 -0.131 0.000 0.854 292 N CB 0.178 38.578 38.487 -0.147 0.000 1.612 292 N HN 0.347 nan 8.380 nan 0.000 0.577 293 S N -1.011 114.629 115.700 -0.101 0.000 2.440 293 S HA -0.077 4.394 4.470 0.000 0.000 0.238 293 S C 1.589 176.152 174.600 -0.062 0.000 1.010 293 S CA 1.349 59.502 58.200 -0.079 0.000 0.972 293 S CB -0.566 62.584 63.200 -0.084 0.000 0.774 293 S HN 0.356 nan 8.310 nan 0.000 0.501 294 V N 0.823 120.700 119.914 -0.061 0.000 2.374 294 V HA 0.407 4.527 4.120 0.000 0.000 0.241 294 V C 1.462 177.531 176.094 -0.042 0.000 1.034 294 V CA 1.230 63.505 62.300 -0.042 0.000 1.037 294 V CB -0.562 31.244 31.823 -0.028 0.000 0.682 294 V HN 0.708 nan 8.190 nan 0.000 0.463 295 G N -1.724 107.045 108.800 -0.052 0.000 2.749 295 G HA2 0.634 4.594 3.960 0.000 0.000 0.300 295 G HA3 0.634 4.594 3.960 0.000 0.000 0.300 295 G C -1.105 173.753 174.900 -0.069 0.000 1.352 295 G CA -0.095 44.974 45.100 -0.052 0.000 0.789 295 G HN 0.565 nan 8.290 nan 0.000 0.509 296 G N -0.746 108.015 108.800 -0.065 0.000 2.740 296 G HA2 0.563 4.524 3.960 0.000 0.000 0.296 296 G HA3 0.563 4.524 3.960 0.000 0.000 0.296 296 G C -1.618 173.241 174.900 -0.068 0.000 1.439 296 G CA -0.242 44.810 45.100 -0.080 0.000 1.066 296 G HN 0.577 nan 8.290 nan 0.000 0.527 297 E N 0.197 120.351 120.200 -0.076 0.000 2.359 297 E HA 0.794 5.144 4.350 0.000 0.000 0.266 297 E C -0.363 176.203 176.600 -0.058 0.000 0.920 297 E CA -0.617 55.752 56.400 -0.052 0.000 0.788 297 E CB 2.072 31.753 29.700 -0.032 0.000 1.279 297 E HN 0.760 nan 8.360 nan 0.000 0.438 298 S N 0.656 116.332 115.700 -0.039 0.000 2.540 298 S HA 0.763 5.233 4.470 0.000 0.000 0.275 298 S C -0.868 173.724 174.600 -0.014 0.000 1.123 298 S CA -0.476 57.697 58.200 -0.045 0.000 0.907 298 S CB 0.823 63.990 63.200 -0.055 0.000 1.081 298 S HN 0.837 nan 8.310 nan 0.000 0.476 299 V N -0.605 119.302 119.914 -0.013 0.000 3.001 299 V HA 0.852 4.973 4.120 0.000 0.000 0.314 299 V C -0.858 175.300 176.094 0.107 0.000 1.099 299 V CA -0.859 61.476 62.300 0.058 0.000 0.989 299 V CB 1.510 33.389 31.823 0.093 0.000 1.040 299 V HN 1.044 nan 8.190 nan 0.000 0.434 300 E N 0.559 120.903 120.200 0.240 0.000 2.336 300 E HA 0.771 5.121 4.350 0.000 0.000 0.267 300 E C -1.282 175.657 176.600 0.566 0.000 0.906 300 E CA -0.889 55.738 56.400 0.379 0.000 0.781 300 E CB 2.564 32.393 29.700 0.214 0.000 1.261 300 E HN 0.856 nan 8.360 nan 0.000 0.436 301 T N 0.615 115.512 114.554 0.572 0.000 3.011 301 T HA 0.225 4.575 4.350 0.000 0.000 0.303 301 T C -0.880 174.074 174.700 0.423 0.000 0.997 301 T CA -0.627 61.745 62.100 0.454 0.000 1.007 301 T CB 1.175 70.293 68.868 0.417 0.000 1.017 301 T HN 0.137 nan 8.240 nan 0.000 0.443 302 V N 4.509 124.581 119.914 0.263 0.000 2.322 302 V HA 0.314 4.434 4.120 0.000 0.000 0.258 302 V C -0.111 176.081 176.094 0.163 0.000 1.074 302 V CA -0.543 61.879 62.300 0.203 0.000 0.909 302 V CB 0.286 32.163 31.823 0.089 0.000 1.090 302 V HN 0.644 nan 8.190 nan 0.000 0.486 303 L N 6.161 127.532 121.223 0.247 0.000 2.275 303 L HA 0.691 5.031 4.340 0.000 0.000 0.288 303 L C 0.466 177.445 176.870 0.183 0.000 1.046 303 L CA 0.479 55.462 54.840 0.238 0.000 0.805 303 L CB 1.822 44.096 42.059 0.359 0.000 1.193 303 L HN 0.761 nan 8.230 nan 0.000 0.426 304 T N 2.277 116.911 114.554 0.133 0.000 2.906 304 T HA 0.605 4.955 4.350 0.000 0.000 0.302 304 T C -0.537 174.229 174.700 0.110 0.000 1.002 304 T CA -0.728 61.433 62.100 0.102 0.000 0.988 304 T CB 0.867 69.768 68.868 0.056 0.000 0.972 304 T HN 0.233 nan 8.240 nan 0.000 0.447 305 V N 4.018 123.999 119.914 0.112 0.000 2.465 305 V HA 0.568 4.688 4.120 0.000 0.000 0.279 305 V C 1.299 177.436 176.094 0.072 0.000 1.045 305 V CA -0.723 61.639 62.300 0.104 0.000 0.938 305 V CB 1.105 32.979 31.823 0.086 0.000 0.986 305 V HN 1.133 nan 8.190 nan 0.000 0.467 306 T N 1.619 116.211 114.554 0.064 0.000 2.788 306 T HA 0.785 5.135 4.350 0.000 0.000 0.280 306 T C -0.175 174.549 174.700 0.039 0.000 0.984 306 T CA -0.161 61.966 62.100 0.044 0.000 0.972 306 T CB 1.671 70.559 68.868 0.034 0.000 1.039 306 T HN 1.388 nan 8.240 nan 0.000 0.530 307 A N 1.586 124.426 122.820 0.033 0.000 2.480 307 A HA 0.657 4.978 4.320 0.000 0.000 0.289 307 A C -3.157 174.443 177.584 0.027 0.000 1.044 307 A CA -1.683 50.373 52.037 0.031 0.000 0.761 307 A CB 0.870 19.892 19.000 0.037 0.000 1.289 307 A HN 0.644 nan 8.150 nan 0.000 0.401 308 P HA 0.135 nan 4.420 nan 0.000 0.261 308 P C -0.454 176.857 177.300 0.017 0.000 1.173 308 P CA 0.426 63.535 63.100 0.014 0.000 0.760 308 P CB 0.305 32.012 31.700 0.012 0.000 0.783 309 L N 2.461 123.687 121.223 0.005 0.000 2.380 309 L HA 0.410 4.750 4.340 0.000 0.000 0.273 309 L C 0.798 177.665 176.870 -0.006 0.000 1.138 309 L CA 0.397 55.239 54.840 0.003 0.000 0.832 309 L CB 0.686 42.726 42.059 -0.031 0.000 1.124 309 L HN 0.377 nan 8.230 nan 0.000 0.454 310 S N 1.822 117.533 115.700 0.018 0.000 2.566 310 S HA 0.774 5.245 4.470 0.000 0.000 0.273 310 S C -0.968 173.656 174.600 0.041 0.000 1.157 310 S CA -0.415 57.791 58.200 0.010 0.000 0.938 310 S CB 1.618 64.827 63.200 0.014 0.000 1.087 310 S HN 0.727 nan 8.310 nan 0.000 0.474 311 A N 3.418 126.246 122.820 0.013 0.000 2.354 311 A HA 0.955 5.275 4.320 0.000 0.000 0.321 311 A C -0.743 176.862 177.584 0.034 0.000 1.125 311 A CA -0.765 51.295 52.037 0.037 0.000 0.799 311 A CB 1.587 20.574 19.000 -0.021 0.000 1.293 311 A HN 0.792 nan 8.150 nan 0.000 0.452 312 K N 1.527 121.960 120.400 0.055 0.000 2.575 312 K HA 0.499 4.819 4.320 0.000 0.000 0.255 312 K C -2.066 174.587 176.600 0.089 0.000 0.953 312 K CA -0.393 55.930 56.287 0.060 0.000 0.840 312 K CB 1.126 33.658 32.500 0.053 0.000 1.303 312 K HN 0.640 nan 8.250 nan 0.000 0.438 313 I N 2.804 123.439 120.570 0.108 0.000 2.353 313 I HA 0.209 4.380 4.170 0.000 0.000 0.293 313 I C -0.544 175.681 176.117 0.180 0.000 0.992 313 I CA -0.598 60.812 61.300 0.183 0.000 1.268 313 I CB 1.513 39.647 38.000 0.224 0.000 1.387 313 I HN 0.621 nan 8.210 nan 0.000 0.478 314 D N 8.885 129.405 120.400 0.200 0.000 2.344 314 D HA 0.431 5.071 4.640 0.000 0.000 0.239 314 D C -2.577 173.830 176.300 0.178 0.000 1.064 314 D CA -1.915 52.176 54.000 0.151 0.000 0.829 314 D CB 1.774 42.636 40.800 0.103 0.000 1.129 314 D HN 0.107 nan 8.370 nan 0.000 0.506 315 P HA 0.376 nan 4.420 nan 0.000 0.283 315 P C -2.263 175.135 177.300 0.163 0.000 1.271 315 P CA -1.539 61.634 63.100 0.122 0.000 0.841 315 P CB 1.196 32.936 31.700 0.067 0.000 1.122 316 P HA -0.011 nan 4.420 nan 0.000 0.217 316 P C 0.359 177.721 177.300 0.103 0.000 1.151 316 P CA 1.674 64.833 63.100 0.099 0.000 0.828 316 P CB 0.223 31.959 31.700 0.059 0.000 0.788 317 T N -0.997 113.611 114.554 0.089 0.000 2.982 317 T HA 0.458 4.808 4.350 0.000 0.000 0.321 317 T C -2.081 172.656 174.700 0.063 0.000 1.229 317 T CA -0.702 61.448 62.100 0.083 0.000 1.044 317 T CB 1.113 69.995 68.868 0.023 0.000 1.184 317 T HN 0.010 nan 8.240 nan 0.000 0.477 318 Q N 1.522 121.363 119.800 0.069 0.000 2.377 318 Q HA 0.693 5.033 4.340 0.000 0.000 0.279 318 Q C -1.605 174.385 176.000 -0.016 0.000 1.049 318 Q CA -1.125 54.679 55.803 0.002 0.000 0.825 318 Q CB 1.816 30.528 28.738 -0.044 0.000 1.401 318 Q HN 0.499 nan 8.270 nan 0.000 0.404 319 T N 1.265 115.788 114.554 -0.052 0.000 2.809 319 T HA 0.525 4.876 4.350 0.000 0.000 0.296 319 T C -0.193 174.442 174.700 -0.108 0.000 1.015 319 T CA -0.646 61.416 62.100 -0.064 0.000 0.954 319 T CB 0.945 69.782 68.868 -0.050 0.000 0.950 319 T HN 0.597 nan 8.240 nan 0.000 0.450 320 V N -0.073 119.761 119.914 -0.134 0.000 2.628 320 V HA 0.667 4.787 4.120 0.000 0.000 0.306 320 V C -0.689 175.292 176.094 -0.188 0.000 1.045 320 V CA -1.089 61.114 62.300 -0.161 0.000 0.905 320 V CB 1.798 33.515 31.823 -0.178 0.000 0.997 320 V HN 0.602 nan 8.190 nan 0.000 0.436 321 D N 2.885 123.211 120.400 -0.123 0.000 2.304 321 D HA 0.369 5.009 4.640 0.000 0.000 0.247 321 D C -0.052 176.224 176.300 -0.040 0.000 1.089 321 D CA 0.122 54.102 54.000 -0.033 0.000 0.910 321 D CB 0.955 41.848 40.800 0.156 0.000 1.199 321 D HN 0.545 nan 8.370 nan 0.000 0.426 322 F N 0.519 120.507 119.950 0.064 0.000 2.629 322 F HA 0.198 4.725 4.527 0.000 0.000 0.377 322 F C 2.010 177.825 175.800 0.025 0.000 1.101 322 F CA 1.343 59.364 58.000 0.036 0.000 1.301 322 F CB 0.235 39.253 39.000 0.031 0.000 1.062 322 F HN 0.608 nan 8.300 nan 0.000 0.583 323 G N 1.502 110.407 108.800 0.176 0.000 2.284 323 G HA2 -0.258 3.702 3.960 0.000 0.000 0.247 323 G HA3 -0.258 3.702 3.960 0.000 0.000 0.247 323 G C 0.554 175.475 174.900 0.035 0.000 1.012 323 G CA -0.461 44.695 45.100 0.095 0.000 0.618 323 G HN 0.480 nan 8.290 nan 0.000 0.521 324 R N 1.352 121.860 120.500 0.014 0.000 2.528 324 R HA 0.523 4.864 4.340 0.000 0.000 0.271 324 R C -2.320 173.935 176.300 -0.076 0.000 1.056 324 R CA -2.104 53.978 56.100 -0.030 0.000 1.117 324 R CB 0.233 30.511 30.300 -0.037 0.000 1.085 324 R HN 0.288 nan 8.270 nan 0.000 0.530 325 P HA 0.271 nan 4.420 nan 0.000 0.278 325 P C -1.256 175.918 177.300 -0.211 0.000 1.238 325 P CA -0.451 62.563 63.100 -0.142 0.000 0.794 325 P CB 1.144 32.768 31.700 -0.127 0.000 0.955 326 A N 2.627 125.269 122.820 -0.297 0.000 2.330 326 A HA 0.592 4.912 4.320 0.000 0.000 0.313 326 A C -0.805 176.397 177.584 -0.636 0.000 1.124 326 A CA -0.670 51.085 52.037 -0.471 0.000 0.774 326 A CB 1.074 19.760 19.000 -0.524 0.000 1.198 326 A HN 0.298 nan 8.150 nan 0.000 0.465 327 V N 2.492 122.011 119.914 -0.658 0.000 2.417 327 V HA 0.569 4.690 4.120 0.000 0.000 0.291 327 V C -1.136 174.548 176.094 -0.684 0.000 1.024 327 V CA -0.316 61.651 62.300 -0.554 0.000 0.861 327 V CB 0.835 32.485 31.823 -0.288 0.000 0.985 327 V HN 0.685 nan 8.190 nan 0.000 0.436 328 F N 1.594 121.399 119.950 -0.242 0.000 2.482 328 F HA 0.640 5.167 4.527 0.000 0.000 0.331 328 F C 0.577 176.395 175.800 0.030 0.000 1.115 328 F CA -0.612 57.315 58.000 -0.121 0.000 0.955 328 F CB 2.166 41.008 39.000 -0.262 0.000 1.136 328 F HN 0.320 nan 8.300 nan 0.000 0.452 329 T N 2.087 116.848 114.554 0.347 0.000 2.786 329 T HA 0.227 4.577 4.350 0.000 0.000 0.283 329 T C -0.867 174.079 174.700 0.409 0.000 0.992 329 T CA -0.435 61.862 62.100 0.328 0.000 0.954 329 T CB 1.014 69.989 68.868 0.177 0.000 0.934 329 T HN 0.727 nan 8.240 nan 0.000 0.440 330 c N 5.479 124.374 118.600 0.492 0.000 2.281 330 c HA 0.342 4.912 4.570 0.000 0.000 0.336 330 c C 0.089 174.330 174.090 0.252 0.000 1.217 330 c CA -0.539 55.981 56.329 0.318 0.000 1.730 330 c CB -0.791 41.822 42.510 0.172 0.000 2.338 330 c HN 0.678 nan 8.230 nan 0.000 0.521 331 Q N 4.949 124.844 119.800 0.160 0.000 2.303 331 Q HA 0.412 4.752 4.340 0.000 0.000 0.257 331 Q C -0.977 175.079 176.000 0.094 0.000 0.941 331 Q CA -0.040 55.795 55.803 0.054 0.000 0.931 331 Q CB 1.774 30.529 28.738 0.029 0.000 1.215 331 Q HN 0.878 nan 8.270 nan 0.000 0.437 332 Y N -1.431 118.879 120.300 0.017 0.000 2.553 332 Y HA 0.782 5.332 4.550 0.001 0.000 0.347 332 Y C -0.509 175.394 175.900 0.005 0.000 1.019 332 Y CA -1.164 56.935 58.100 -0.002 0.000 1.032 332 Y CB 1.389 39.839 38.460 -0.017 0.000 1.284 332 Y HN 0.420 nan 8.280 nan 0.000 0.466 333 T N -0.625 114.028 114.554 0.165 0.000 2.906 333 T HA 0.926 5.276 4.350 0.000 0.000 0.295 333 T C -0.125 174.656 174.700 0.134 0.000 1.061 333 T CA -0.415 61.746 62.100 0.101 0.000 1.000 333 T CB 1.365 70.256 68.868 0.038 0.000 1.103 333 T HN 2.152 nan 8.240 nan 0.000 0.486 334 G N 0.805 109.670 108.800 0.109 0.000 2.335 334 G HA2 0.327 4.287 3.960 0.000 0.000 0.592 334 G HA3 0.327 4.287 3.960 0.000 0.000 0.592 334 G C -1.696 173.256 174.900 0.087 0.000 1.442 334 G CA -0.794 44.355 45.100 0.081 0.000 0.976 334 G HN 1.081 nan 8.290 nan 0.000 0.652 335 N N 0.575 119.310 118.700 0.059 0.000 2.324 335 N HA 0.796 5.537 4.740 0.000 0.000 0.285 335 N C -2.862 172.671 175.510 0.038 0.000 1.076 335 N CA -1.181 51.902 53.050 0.056 0.000 0.864 335 N CB 3.417 41.938 38.487 0.057 0.000 1.632 335 N HN 0.473 nan 8.380 nan 0.000 0.478 336 P HA 0.409 nan 4.420 nan 0.000 0.281 336 P C -0.924 176.389 177.300 0.022 0.000 1.264 336 P CA -0.523 62.598 63.100 0.036 0.000 0.824 336 P CB 1.208 32.925 31.700 0.029 0.000 1.092 337 I N 2.104 122.688 120.570 0.024 0.000 2.339 337 I HA 0.266 4.436 4.170 0.000 0.000 0.290 337 I C 1.195 177.299 176.117 -0.022 0.000 0.994 337 I CA -0.527 60.760 61.300 -0.022 0.000 1.191 337 I CB 1.341 39.312 38.000 -0.048 0.000 1.343 337 I HN 0.427 nan 8.210 nan 0.000 0.458 338 K N 3.734 124.115 120.400 -0.032 0.000 2.313 338 K HA 0.142 4.462 4.320 0.000 0.000 0.197 338 K C -0.001 176.585 176.600 -0.023 0.000 1.061 338 K CA 0.892 57.169 56.287 -0.016 0.000 0.980 338 K CB 0.517 33.013 32.500 -0.007 0.000 0.888 338 K HN 0.736 nan 8.250 nan 0.000 0.502 339 T N -0.987 113.539 114.554 -0.047 0.000 3.335 339 T HA 0.407 4.757 4.350 0.000 0.000 0.321 339 T C -1.071 173.578 174.700 -0.084 0.000 0.960 339 T CA -0.907 61.170 62.100 -0.039 0.000 1.034 339 T CB 1.199 70.065 68.868 -0.003 0.000 1.040 339 T HN -0.223 nan 8.240 nan 0.000 0.454 340 V N 3.793 123.642 119.914 -0.108 0.000 2.333 340 V HA 0.699 4.819 4.120 0.000 0.000 0.274 340 V C 0.311 176.377 176.094 -0.047 0.000 1.028 340 V CA -0.453 61.752 62.300 -0.158 0.000 0.851 340 V CB 0.621 32.307 31.823 -0.228 0.000 1.000 340 V HN 1.127 nan 8.190 nan 0.000 0.456 341 S N 3.261 118.934 115.700 -0.045 0.000 2.536 341 S HA 0.742 5.213 4.470 0.000 0.000 0.287 341 S C -1.221 173.364 174.600 -0.025 0.000 1.101 341 S CA -0.890 57.331 58.200 0.035 0.000 0.950 341 S CB 1.391 64.619 63.200 0.045 0.000 1.056 341 S HN 0.491 nan 8.310 nan 0.000 0.481 342 W N 1.612 122.959 121.300 0.078 0.000 2.390 342 W HA 0.784 5.444 4.660 0.000 0.000 0.362 342 W C 0.235 176.739 176.519 -0.025 0.000 1.206 342 W CA -0.717 56.669 57.345 0.068 0.000 1.355 342 W CB 1.484 31.030 29.460 0.142 0.000 1.278 342 W HN 0.752 nan 8.180 nan 0.000 0.653 343 M N 1.910 121.679 119.600 0.281 0.000 2.603 343 M HA 0.317 4.797 4.480 0.000 0.000 0.275 343 M C -1.668 174.674 176.300 0.070 0.000 1.226 343 M CA -0.807 54.520 55.300 0.046 0.000 0.870 343 M CB 2.118 34.587 32.600 -0.219 0.000 1.716 343 M HN 0.199 nan 8.290 nan 0.000 0.482 344 K N 2.353 122.718 120.400 -0.058 0.000 2.565 344 K HA 0.226 4.546 4.320 0.000 0.000 0.249 344 K C -1.482 174.999 176.600 -0.198 0.000 0.958 344 K CA -0.067 56.091 56.287 -0.214 0.000 0.806 344 K CB 1.179 33.515 32.500 -0.275 0.000 1.194 344 K HN 0.871 nan 8.250 nan 0.000 0.434 345 D N 3.521 123.792 120.400 -0.214 0.000 2.720 345 D HA -0.243 4.398 4.640 0.000 0.000 0.229 345 D C 0.826 177.068 176.300 -0.097 0.000 1.198 345 D CA 2.042 55.957 54.000 -0.142 0.000 0.639 345 D CB -0.805 39.909 40.800 -0.143 0.000 1.003 345 D HN 1.067 nan 8.370 nan 0.000 0.411 346 G N -0.781 107.967 108.800 -0.087 0.000 3.757 346 G HA2 -0.332 3.628 3.960 0.000 0.000 0.215 346 G HA3 -0.332 3.628 3.960 0.000 0.000 0.215 346 G C 0.283 175.133 174.900 -0.084 0.000 1.411 346 G CA 0.293 45.351 45.100 -0.069 0.000 0.896 346 G HN 0.330 nan 8.290 nan 0.000 0.581 347 K N 2.195 122.551 120.400 -0.073 0.000 2.270 347 K HA 0.711 5.031 4.320 0.000 0.000 0.276 347 K C 0.738 177.299 176.600 -0.066 0.000 1.023 347 K CA 0.415 56.665 56.287 -0.061 0.000 0.955 347 K CB 1.098 33.573 32.500 -0.042 0.000 0.975 347 K HN 0.895 nan 8.250 nan 0.000 0.471 348 A N 3.173 125.958 122.820 -0.057 0.000 2.313 348 A HA 0.543 4.864 4.320 0.000 0.000 0.261 348 A C 0.509 178.103 177.584 0.016 0.000 1.090 348 A CA -0.556 51.458 52.037 -0.038 0.000 0.807 348 A CB 0.028 18.999 19.000 -0.048 0.000 1.055 348 A HN 0.783 nan 8.150 nan 0.000 0.492 349 I N -2.545 118.067 120.570 0.070 0.000 3.237 349 I HA 0.782 4.952 4.170 0.000 0.000 0.308 349 I C 0.963 177.154 176.117 0.123 0.000 1.093 349 I CA -0.616 60.746 61.300 0.103 0.000 1.001 349 I CB 1.735 39.822 38.000 0.146 0.000 1.245 349 I HN 0.529 nan 8.210 nan 0.000 0.485 350 G N -0.306 108.570 108.800 0.127 0.000 2.712 350 G HA2 -0.066 3.894 3.960 0.000 0.000 0.212 350 G HA3 -0.066 3.894 3.960 0.000 0.000 0.212 350 G C 0.361 175.351 174.900 0.150 0.000 1.142 350 G CA 0.158 45.327 45.100 0.115 0.000 0.789 350 G HN 0.722 nan 8.290 nan 0.000 0.535 351 H N 0.900 120.039 119.070 0.114 0.000 2.848 351 H HA 0.356 4.912 4.556 0.000 0.000 0.317 351 H C 0.754 176.233 175.328 0.252 0.000 1.046 351 H CA 0.477 56.611 56.048 0.143 0.000 1.470 351 H CB 0.994 30.794 29.762 0.064 0.000 1.483 351 H HN 0.085 nan 8.280 nan 0.000 0.548 352 S N 3.410 119.128 115.700 0.031 0.000 2.843 352 S HA 0.275 4.746 4.470 0.000 0.000 0.249 352 S C -0.194 174.461 174.600 0.092 0.000 1.047 352 S CA -0.819 57.446 58.200 0.109 0.000 1.042 352 S CB 0.323 63.549 63.200 0.043 0.000 0.936 352 S HN 0.524 nan 8.310 nan 0.000 0.531 353 E N 1.364 121.641 120.200 0.129 0.000 2.277 353 E HA 0.391 4.742 4.350 0.000 0.000 0.266 353 E C 0.646 177.561 176.600 0.526 0.000 0.901 353 E CA -0.185 56.338 56.400 0.205 0.000 0.782 353 E CB 2.040 31.765 29.700 0.043 0.000 1.228 353 E HN 0.289 nan 8.360 nan 0.000 0.424 354 S N 0.257 116.218 115.700 0.436 0.000 2.368 354 S HA -0.126 4.344 4.470 0.000 0.000 0.226 354 S C 1.176 176.182 174.600 0.677 0.000 1.044 354 S CA 0.820 59.337 58.200 0.528 0.000 1.062 354 S CB -0.297 63.142 63.200 0.398 0.000 0.931 354 S HN 0.274 nan 8.310 nan 0.000 0.440 355 V N 3.718 123.898 119.914 0.444 0.000 2.368 355 V HA 0.362 4.482 4.120 0.000 0.000 0.266 355 V C 0.001 176.118 176.094 0.038 0.000 1.045 355 V CA -0.568 61.888 62.300 0.260 0.000 0.899 355 V CB 1.003 32.916 31.823 0.149 0.000 1.006 355 V HN 0.486 nan 8.190 nan 0.000 0.470 356 L N 6.619 127.621 121.223 -0.367 0.000 2.290 356 L HA 0.600 4.940 4.340 0.000 0.000 0.284 356 L C -0.137 176.399 176.870 -0.556 0.000 1.078 356 L CA -0.240 54.050 54.840 -0.917 0.000 0.815 356 L CB 1.213 42.289 42.059 -1.638 0.000 1.162 356 L HN 0.711 nan 8.230 nan 0.000 0.435 357 R N 5.287 125.475 120.500 -0.521 0.000 2.435 357 R HA 0.490 4.830 4.340 0.000 0.000 0.308 357 R C -0.971 175.149 176.300 -0.299 0.000 0.975 357 R CA -0.364 55.529 56.100 -0.345 0.000 0.867 357 R CB 0.756 30.930 30.300 -0.209 0.000 1.171 357 R HN 0.639 nan 8.270 nan 0.000 0.470 358 I N 4.674 125.058 120.570 -0.310 0.000 2.396 358 I HA 0.096 4.266 4.170 0.000 0.000 0.289 358 I C 1.014 177.033 176.117 -0.164 0.000 1.056 358 I CA 0.001 61.173 61.300 -0.214 0.000 1.365 358 I CB 1.563 39.432 38.000 -0.219 0.000 1.407 358 I HN 0.717 nan 8.210 nan 0.000 0.509 359 E N 2.911 123.048 120.200 -0.105 0.000 2.112 359 E HA -0.064 4.287 4.350 0.000 0.000 0.190 359 E C 0.454 177.018 176.600 -0.060 0.000 0.979 359 E CA 0.714 57.068 56.400 -0.076 0.000 0.814 359 E CB 0.290 29.963 29.700 -0.045 0.000 0.762 359 E HN 0.499 nan 8.360 nan 0.000 0.460 360 S N 0.653 116.325 115.700 -0.046 0.000 2.609 360 S HA 0.227 4.698 4.470 0.000 0.000 0.250 360 S C -0.704 173.892 174.600 -0.007 0.000 1.112 360 S CA -0.607 57.580 58.200 -0.021 0.000 1.102 360 S CB 0.945 64.145 63.200 0.001 0.000 1.124 360 S HN -0.069 nan 8.310 nan 0.000 0.460 361 V N 6.180 126.081 119.914 -0.022 0.000 2.843 361 V HA 0.429 4.549 4.120 0.000 0.000 0.305 361 V C 0.370 176.504 176.094 0.067 0.000 1.065 361 V CA 0.302 62.594 62.300 -0.014 0.000 1.116 361 V CB 0.821 32.591 31.823 -0.089 0.000 0.968 361 V HN 0.871 nan 8.190 nan 0.000 0.487 362 K N 2.794 123.256 120.400 0.102 0.000 2.499 362 K HA 0.495 4.815 4.320 0.000 0.000 0.277 362 K C 0.633 177.365 176.600 0.219 0.000 1.025 362 K CA -1.018 55.411 56.287 0.236 0.000 0.900 362 K CB 1.833 34.440 32.500 0.177 0.000 1.494 362 K HN 0.195 nan 8.250 nan 0.000 0.442 363 K N 0.988 121.601 120.400 0.354 0.000 2.049 363 K HA -0.271 4.050 4.320 0.000 0.000 0.219 363 K C 1.540 178.226 176.600 0.144 0.000 1.056 363 K CA 2.652 59.114 56.287 0.292 0.000 0.946 363 K CB -0.153 32.484 32.500 0.228 0.000 0.723 363 K HN 0.746 nan 8.250 nan 0.000 0.453 364 E N 0.280 120.545 120.200 0.109 0.000 2.401 364 E HA -0.204 4.146 4.350 0.000 0.000 0.199 364 E C 0.868 177.518 176.600 0.084 0.000 1.023 364 E CA 1.110 57.553 56.400 0.073 0.000 0.859 364 E CB -0.215 29.517 29.700 0.053 0.000 0.780 364 E HN 0.467 nan 8.360 nan 0.000 0.523 365 D N 1.868 122.339 120.400 0.118 0.000 2.363 365 D HA -0.039 4.601 4.640 0.000 0.000 0.220 365 D C 0.667 177.104 176.300 0.229 0.000 0.994 365 D CA 0.378 54.494 54.000 0.194 0.000 0.890 365 D CB 0.064 40.966 40.800 0.170 0.000 0.906 365 D HN 0.437 nan 8.370 nan 0.000 0.530 366 K N 0.493 120.975 120.400 0.136 0.000 2.380 366 K HA 0.332 4.652 4.320 0.000 0.000 0.267 366 K C 0.741 177.410 176.600 0.115 0.000 0.990 366 K CA -0.020 56.352 56.287 0.141 0.000 0.946 366 K CB 0.942 33.505 32.500 0.106 0.000 0.937 366 K HN 0.001 nan 8.250 nan 0.000 0.491 367 G N 0.965 109.856 108.800 0.151 0.000 2.396 367 G HA2 -0.041 3.920 3.960 0.000 0.000 0.254 367 G HA3 -0.041 3.920 3.960 0.000 0.000 0.254 367 G C -1.018 173.883 174.900 0.001 0.000 1.248 367 G CA -0.615 44.524 45.100 0.064 0.000 1.033 367 G HN 0.515 nan 8.290 nan 0.000 0.502 368 M N 0.153 119.676 119.600 -0.128 0.000 2.264 368 M HA 0.550 5.031 4.480 0.000 0.000 0.352 368 M C -1.075 175.038 176.300 -0.311 0.000 1.173 368 M CA -0.542 54.690 55.300 -0.113 0.000 1.075 368 M CB 0.652 33.206 32.600 -0.077 0.000 1.621 368 M HN 0.480 nan 8.290 nan 0.000 0.457 369 Y N 1.553 121.758 120.300 -0.158 0.000 2.376 369 Y HA 0.368 4.918 4.550 0.001 0.000 0.326 369 Y C 0.254 176.158 175.900 0.006 0.000 0.970 369 Y CA -0.536 57.465 58.100 -0.165 0.000 1.248 369 Y CB 1.300 39.388 38.460 -0.619 0.000 1.117 369 Y HN 0.582 nan 8.280 nan 0.000 0.476 370 Q N 1.988 121.887 119.800 0.166 0.000 2.230 370 Q HA 0.452 4.792 4.340 0.000 0.000 0.248 370 Q C -0.857 175.135 176.000 -0.014 0.000 0.915 370 Q CA -0.580 55.289 55.803 0.109 0.000 0.900 370 Q CB 2.110 30.900 28.738 0.088 0.000 1.229 370 Q HN 0.728 nan 8.270 nan 0.000 0.439 371 c N 3.784 122.226 118.600 -0.265 0.000 2.345 371 c HA 0.616 5.187 4.570 0.000 0.000 0.323 371 c C -1.058 172.976 174.090 -0.093 0.000 1.276 371 c CA -0.550 55.361 56.329 -0.696 0.000 1.543 371 c CB -0.548 41.197 42.510 -1.275 0.000 2.211 371 c HN 0.800 nan 8.230 nan 0.000 0.493 372 F N 4.911 124.631 119.950 -0.384 0.000 2.443 372 F HA 0.591 5.118 4.527 0.000 0.000 0.335 372 F C 0.249 175.894 175.800 -0.259 0.000 1.104 372 F CA -0.798 57.061 58.000 -0.235 0.000 1.013 372 F CB 2.080 40.991 39.000 -0.147 0.000 1.136 372 F HN 0.582 nan 8.300 nan 0.000 0.470 373 V N 2.355 122.167 119.914 -0.169 0.000 2.380 373 V HA 0.692 4.812 4.120 0.000 0.000 0.286 373 V C -0.857 175.132 176.094 -0.176 0.000 1.015 373 V CA -0.771 61.392 62.300 -0.227 0.000 0.834 373 V CB 1.118 32.748 31.823 -0.322 0.000 1.009 373 V HN 0.873 nan 8.190 nan 0.000 0.428 374 R N 3.022 123.454 120.500 -0.113 0.000 2.837 374 R HA 0.896 5.236 4.340 0.000 0.000 0.271 374 R C -0.580 175.694 176.300 -0.043 0.000 0.993 374 R CA -0.689 55.369 56.100 -0.070 0.000 0.931 374 R CB 1.786 32.073 30.300 -0.021 0.000 1.206 374 R HN 0.739 nan 8.270 nan 0.000 0.474 375 N N -0.480 118.206 118.700 -0.023 0.000 3.600 375 N HA 0.245 4.985 4.740 0.000 0.000 0.348 375 N C -0.525 174.986 175.510 0.002 0.000 1.649 375 N CA -0.645 52.399 53.050 -0.011 0.000 0.710 375 N CB 0.012 38.489 38.487 -0.015 0.000 2.380 375 N HN 0.477 nan 8.380 nan 0.000 0.631 376 D N -1.080 119.316 120.400 -0.006 0.000 2.123 376 D HA 0.057 4.697 4.640 0.000 0.000 0.200 376 D C 1.153 177.437 176.300 -0.028 0.000 0.976 376 D CA 1.183 55.176 54.000 -0.012 0.000 0.831 376 D CB 0.127 40.913 40.800 -0.024 0.000 0.974 376 D HN 0.306 nan 8.370 nan 0.000 0.469 377 R N -0.106 120.373 120.500 -0.035 0.000 2.373 377 R HA 0.332 4.672 4.340 0.000 0.000 0.221 377 R C 0.172 176.457 176.300 -0.025 0.000 0.893 377 R CA 0.129 56.190 56.100 -0.065 0.000 1.049 377 R CB 1.024 31.284 30.300 -0.066 0.000 1.119 377 R HN 0.279 nan 8.270 nan 0.000 0.535 378 E N 0.051 120.253 120.200 0.004 0.000 2.416 378 E HA 0.363 4.714 4.350 0.000 0.000 0.273 378 E C -1.112 175.482 176.600 -0.011 0.000 0.935 378 E CA -0.642 55.763 56.400 0.009 0.000 0.784 378 E CB 2.556 32.248 29.700 -0.012 0.000 1.301 378 E HN -0.024 nan 8.360 nan 0.000 0.454 379 S N -0.192 115.474 115.700 -0.057 0.000 2.652 379 S HA 0.686 5.157 4.470 0.000 0.000 0.273 379 S C -1.097 173.352 174.600 -0.251 0.000 1.172 379 S CA -0.926 57.178 58.200 -0.159 0.000 1.009 379 S CB 1.300 64.399 63.200 -0.168 0.000 1.094 379 S HN 0.569 nan 8.310 nan 0.000 0.471 380 A N 2.577 125.233 122.820 -0.274 0.000 2.317 380 A HA 0.868 5.188 4.320 0.000 0.000 0.327 380 A C -0.148 177.196 177.584 -0.400 0.000 1.178 380 A CA -0.673 51.204 52.037 -0.267 0.000 0.817 380 A CB 0.955 19.870 19.000 -0.143 0.000 1.189 380 A HN 1.039 nan 8.150 nan 0.000 0.489 381 E N 1.111 121.083 120.200 -0.379 0.000 2.244 381 E HA 0.819 5.169 4.350 0.000 0.000 0.266 381 E C -0.689 175.852 176.600 -0.098 0.000 0.914 381 E CA -0.426 55.776 56.400 -0.331 0.000 0.794 381 E CB 1.924 31.387 29.700 -0.395 0.000 1.210 381 E HN 1.042 nan 8.360 nan 0.000 0.414 382 A N 1.387 124.201 122.820 -0.009 0.000 2.455 382 A HA 0.670 4.990 4.320 0.000 0.000 0.300 382 A C -0.863 176.760 177.584 0.066 0.000 1.040 382 A CA -0.610 51.441 52.037 0.023 0.000 0.697 382 A CB 1.921 20.916 19.000 -0.007 0.000 1.265 382 A HN 0.550 nan 8.150 nan 0.000 0.407 383 S N 0.161 115.918 115.700 0.095 0.000 2.664 383 S HA 0.935 5.406 4.470 0.000 0.000 0.304 383 S C -0.317 174.333 174.600 0.082 0.000 1.099 383 S CA 0.267 58.525 58.200 0.097 0.000 1.003 383 S CB 1.529 64.792 63.200 0.105 0.000 1.092 383 S HN 2.370 nan 8.310 nan 0.000 0.525 384 A N 1.804 124.662 122.820 0.064 0.000 2.608 384 A HA 0.689 5.009 4.320 0.000 0.000 0.292 384 A C -1.359 176.264 177.584 0.064 0.000 1.066 384 A CA -0.657 51.421 52.037 0.069 0.000 0.676 384 A CB 1.298 20.339 19.000 0.069 0.000 1.277 384 A HN 0.795 nan 8.150 nan 0.000 0.413 385 E N 0.182 120.461 120.200 0.132 0.000 2.288 385 E HA 0.648 4.999 4.350 0.000 0.000 0.268 385 E C -1.992 174.781 176.600 0.289 0.000 0.885 385 E CA -0.714 55.783 56.400 0.161 0.000 0.767 385 E CB 1.823 31.558 29.700 0.058 0.000 1.220 385 E HN 0.641 nan 8.360 nan 0.000 0.427 386 L N 3.722 125.146 121.223 0.334 0.000 2.316 386 L HA 0.454 4.794 4.340 0.000 0.000 0.280 386 L C -1.121 175.856 176.870 0.178 0.000 1.006 386 L CA -0.279 54.745 54.840 0.307 0.000 0.836 386 L CB 1.011 43.353 42.059 0.473 0.000 1.221 386 L HN 0.456 nan 8.230 nan 0.000 0.418 387 K N 4.754 125.210 120.400 0.093 0.000 2.110 387 K HA 0.423 4.743 4.320 0.000 0.000 0.263 387 K C -0.323 176.272 176.600 -0.010 0.000 0.975 387 K CA -0.717 55.611 56.287 0.067 0.000 0.895 387 K CB 1.480 34.001 32.500 0.036 0.000 1.060 387 K HN 0.571 nan 8.250 nan 0.000 0.448 388 L N 3.763 124.966 121.223 -0.034 0.000 2.511 388 L HA 0.011 4.351 4.340 0.000 0.000 0.239 388 L C 1.273 178.008 176.870 -0.224 0.000 1.400 388 L CA 0.168 54.872 54.840 -0.227 0.000 1.226 388 L CB -1.180 40.736 42.059 -0.240 0.000 1.475 388 L HN 1.085 nan 8.230 nan 0.000 0.428 389 G N 1.455 110.159 108.800 -0.160 0.000 2.692 389 G HA2 -0.228 3.732 3.960 0.000 0.000 0.339 389 G HA3 -0.228 3.732 3.960 0.000 0.000 0.339 389 G C 0.668 175.569 174.900 0.002 0.000 1.226 389 G CA 0.192 45.233 45.100 -0.097 0.000 0.979 389 G HN 1.228 nan 8.290 nan 0.000 0.549 390 G N -1.381 107.481 108.800 0.104 0.000 2.828 390 G HA2 0.195 4.156 3.960 0.000 0.000 0.463 390 G HA3 0.195 4.156 3.960 0.000 0.000 0.463 390 G C 0.491 175.493 174.900 0.170 0.000 1.394 390 G CA 1.049 46.250 45.100 0.168 0.000 0.862 390 G HN 2.027 nan 8.290 nan 0.000 0.540 391 R N -1.914 118.679 120.500 0.155 0.000 3.722 391 R HA -0.223 4.117 4.340 0.000 0.000 0.284 391 R C 0.109 176.571 176.300 0.269 0.000 1.165 391 R CA 1.760 57.953 56.100 0.154 0.000 0.779 391 R CB -1.465 28.902 30.300 0.110 0.000 1.179 391 R HN 1.245 nan 8.270 nan 0.000 0.491 392 F N 0.805 120.784 119.950 0.050 0.000 2.632 392 F HA 0.113 4.640 4.527 0.000 0.000 0.378 392 F C -0.494 175.355 175.800 0.082 0.000 1.478 392 F CA -1.011 57.019 58.000 0.051 0.000 1.089 392 F CB 0.380 39.404 39.000 0.039 0.000 1.917 392 F HN 0.000 nan 8.300 nan 0.000 0.538 393 D N 2.907 123.319 120.400 0.021 0.000 2.425 393 D HA 0.150 4.790 4.640 0.000 0.000 0.247 393 D C -2.643 173.631 176.300 -0.043 0.000 1.147 393 D CA -1.133 52.888 54.000 0.035 0.000 0.879 393 D CB 1.018 41.824 40.800 0.010 0.000 1.179 393 D HN 0.144 nan 8.370 nan 0.000 0.456 394 P HA 0.234 nan 4.420 nan 0.000 0.277 394 P C -2.607 174.619 177.300 -0.123 0.000 1.271 394 P CA -1.528 61.527 63.100 -0.076 0.000 0.795 394 P CB -0.296 31.305 31.700 -0.164 0.000 1.101 395 P HA 0.116 nan 4.420 nan 0.000 0.271 395 P C -0.703 176.518 177.300 -0.131 0.000 1.220 395 P CA 0.262 63.292 63.100 -0.118 0.000 0.768 395 P CB 0.466 32.104 31.700 -0.103 0.000 0.848 396 V N 3.821 123.662 119.914 -0.121 0.000 3.007 396 V HA 0.404 4.524 4.120 0.000 0.000 0.311 396 V C 0.101 176.123 176.094 -0.119 0.000 1.120 396 V CA -0.929 61.298 62.300 -0.123 0.000 0.980 396 V CB 1.946 33.699 31.823 -0.117 0.000 1.033 396 V HN 0.370 nan 8.190 nan 0.000 0.429 397 I N 0.608 121.100 120.570 -0.130 0.000 2.330 397 I HA 0.665 4.835 4.170 0.000 0.000 0.289 397 I C 0.534 176.554 176.117 -0.161 0.000 1.001 397 I CA -0.116 61.095 61.300 -0.149 0.000 1.193 397 I CB 0.922 38.821 38.000 -0.168 0.000 1.345 397 I HN 0.474 nan 8.210 nan 0.000 0.461 398 R N 2.580 122.998 120.500 -0.138 0.000 1.950 398 R HA 0.281 4.621 4.340 0.000 0.000 0.197 398 R C 0.076 176.297 176.300 -0.133 0.000 1.471 398 R CA 0.003 56.030 56.100 -0.121 0.000 1.156 398 R CB -0.085 30.161 30.300 -0.089 0.000 0.905 398 R HN 0.608 nan 8.270 nan 0.000 0.489 399 Q N 1.183 120.920 119.800 -0.105 0.000 2.369 399 Q HA 0.337 4.677 4.340 0.000 0.000 0.247 399 Q C -1.075 174.868 176.000 -0.095 0.000 1.083 399 Q CA -0.033 55.718 55.803 -0.087 0.000 0.905 399 Q CB 1.533 30.240 28.738 -0.053 0.000 1.305 399 Q HN 0.287 nan 8.270 nan 0.000 0.465 400 A N 3.067 125.800 122.820 -0.145 0.000 2.374 400 A HA 0.673 4.993 4.320 0.000 0.000 0.317 400 A C -0.381 177.185 177.584 -0.030 0.000 1.094 400 A CA -0.834 51.108 52.037 -0.158 0.000 0.765 400 A CB 0.666 19.307 19.000 -0.598 0.000 1.268 400 A HN 0.642 nan 8.150 nan 0.000 0.438 401 F N 0.798 120.815 119.950 0.111 0.000 2.496 401 F HA 0.481 5.009 4.527 0.001 0.000 0.344 401 F C 0.438 176.383 175.800 0.241 0.000 1.155 401 F CA -0.329 57.773 58.000 0.170 0.000 1.302 401 F CB 0.356 39.489 39.000 0.222 0.000 1.159 401 F HN 0.752 nan 8.300 nan 0.000 0.595 402 Q N 0.845 120.735 119.800 0.151 0.000 2.418 402 Q HA 0.370 4.711 4.340 0.000 0.000 0.276 402 Q C -0.973 175.104 176.000 0.128 0.000 1.081 402 Q CA -1.243 54.590 55.803 0.049 0.000 0.864 402 Q CB 1.425 30.190 28.738 0.045 0.000 1.384 402 Q HN 0.830 nan 8.270 nan 0.000 0.467 403 E N 0.279 120.519 120.200 0.067 0.000 2.437 403 E HA -0.034 4.316 4.350 0.000 0.000 0.263 403 E C -0.979 175.668 176.600 0.078 0.000 1.030 403 E CA 0.262 56.713 56.400 0.084 0.000 0.934 403 E CB 0.671 30.398 29.700 0.044 0.000 0.943 403 E HN 0.548 nan 8.360 nan 0.000 0.444 404 E N 1.809 122.048 120.200 0.064 0.000 2.392 404 E HA 0.360 4.711 4.350 0.000 0.000 0.279 404 E C -1.671 174.906 176.600 -0.039 0.000 0.964 404 E CA -0.735 55.675 56.400 0.016 0.000 0.777 404 E CB 2.101 31.818 29.700 0.028 0.000 1.249 404 E HN 0.531 nan 8.360 nan 0.000 0.449 405 T N 3.199 117.702 114.554 -0.086 0.000 2.900 405 T HA 0.688 5.038 4.350 0.000 0.000 0.295 405 T C -0.651 174.006 174.700 -0.072 0.000 1.044 405 T CA -0.700 61.306 62.100 -0.156 0.000 0.995 405 T CB 1.148 69.782 68.868 -0.390 0.000 1.072 405 T HN 0.579 nan 8.240 nan 0.000 0.473 406 M N 0.491 120.087 119.600 -0.007 0.000 2.949 406 M HA 0.609 5.090 4.480 0.000 0.000 0.270 406 M C -1.824 174.546 176.300 0.116 0.000 1.221 406 M CA -1.074 54.239 55.300 0.021 0.000 0.818 406 M CB 2.038 34.617 32.600 -0.035 0.000 1.635 406 M HN 0.587 nan 8.290 nan 0.000 0.492 407 E N 1.078 121.278 120.200 -0.000 0.000 2.248 407 E HA 0.734 5.084 4.350 0.000 0.000 0.272 407 E C -2.782 173.800 176.600 -0.030 0.000 1.008 407 E CA -1.924 54.468 56.400 -0.014 0.000 0.856 407 E CB 1.380 30.963 29.700 -0.196 0.000 1.120 407 E HN 0.459 nan 8.360 nan 0.000 0.397 408 P HA 0.143 nan 4.420 nan 0.000 0.272 408 P C 0.459 177.695 177.300 -0.107 0.000 1.230 408 P CA 0.645 63.703 63.100 -0.071 0.000 0.788 408 P CB 1.230 32.872 31.700 -0.096 0.000 0.949 409 G N 0.786 109.513 108.800 -0.121 0.000 3.038 409 G HA2 -0.094 3.867 3.960 0.000 0.000 0.197 409 G HA3 -0.094 3.867 3.960 0.000 0.000 0.197 409 G C -2.503 172.333 174.900 -0.106 0.000 1.925 409 G CA -0.230 44.801 45.100 -0.114 0.000 1.405 409 G HN 0.605 nan 8.290 nan 0.000 0.524 410 P HA 0.416 nan 4.420 nan 0.000 0.271 410 P C -0.131 177.044 177.300 -0.209 0.000 1.233 410 P CA 0.401 63.422 63.100 -0.132 0.000 0.789 410 P CB 0.897 32.524 31.700 -0.122 0.000 0.951 411 S N -0.003 115.538 115.700 -0.265 0.000 2.548 411 S HA 0.302 4.772 4.470 0.000 0.000 0.277 411 S C 0.204 174.295 174.600 -0.849 0.000 1.315 411 S CA -0.567 57.331 58.200 -0.503 0.000 1.050 411 S CB 0.414 63.367 63.200 -0.412 0.000 0.918 411 S HN 0.220 nan 8.310 nan 0.000 0.497 412 V N 3.634 122.993 119.914 -0.924 0.000 2.555 412 V HA 0.528 4.649 4.120 0.000 0.000 0.302 412 V C -1.189 174.329 176.094 -0.959 0.000 1.038 412 V CA -0.656 61.154 62.300 -0.817 0.000 0.887 412 V CB 1.139 32.663 31.823 -0.498 0.000 0.991 412 V HN 0.785 nan 8.190 nan 0.000 0.434 413 F N 4.653 124.526 119.950 -0.129 0.000 2.532 413 F HA 0.556 5.083 4.527 0.000 0.000 0.365 413 F C -0.144 175.649 175.800 -0.011 0.000 1.112 413 F CA -0.691 57.270 58.000 -0.064 0.000 1.082 413 F CB 0.926 39.917 39.000 -0.016 0.000 1.319 413 F HN 0.146 nan 8.300 nan 0.000 0.457 414 L N 3.401 124.597 121.223 -0.044 0.000 2.312 414 L HA 0.525 4.865 4.340 0.000 0.000 0.281 414 L C 0.014 176.930 176.870 0.077 0.000 1.070 414 L CA -0.611 54.133 54.840 -0.161 0.000 0.805 414 L CB 1.584 43.174 42.059 -0.782 0.000 1.174 414 L HN 0.505 nan 8.230 nan 0.000 0.434 415 K N 2.334 122.849 120.400 0.193 0.000 2.376 415 K HA 0.480 4.800 4.320 0.000 0.000 0.257 415 K C -1.710 175.037 176.600 0.245 0.000 0.939 415 K CA -0.480 55.785 56.287 -0.036 0.000 0.809 415 K CB 1.883 34.136 32.500 -0.411 0.000 1.121 415 K HN 0.614 nan 8.250 nan 0.000 0.425 416 c N 4.438 123.166 118.600 0.214 0.000 2.291 416 c HA 0.362 4.932 4.570 0.000 0.000 0.322 416 c C -0.447 173.593 174.090 -0.084 0.000 1.205 416 c CA -0.707 55.654 56.329 0.055 0.000 1.495 416 c CB 0.487 42.938 42.510 -0.099 0.000 2.127 416 c HN 0.516 nan 8.230 nan 0.000 0.452 417 V N 4.833 124.679 119.914 -0.114 0.000 2.334 417 V HA 0.581 4.702 4.120 0.000 0.000 0.267 417 V C 0.604 176.624 176.094 -0.124 0.000 1.040 417 V CA 0.087 62.305 62.300 -0.137 0.000 0.866 417 V CB 0.905 32.653 31.823 -0.126 0.000 1.019 417 V HN 0.955 nan 8.190 nan 0.000 0.468 418 A N 4.327 127.072 122.820 -0.125 0.000 2.324 418 A HA 0.926 5.246 4.320 0.000 0.000 0.330 418 A C 0.329 177.852 177.584 -0.102 0.000 1.165 418 A CA -0.062 51.904 52.037 -0.117 0.000 0.813 418 A CB 1.480 20.406 19.000 -0.123 0.000 1.197 418 A HN 0.890 nan 8.150 nan 0.000 0.484 419 G N -0.629 108.114 108.800 -0.095 0.000 2.568 419 G HA2 0.853 4.813 3.960 0.000 0.000 0.313 419 G HA3 0.853 4.813 3.960 0.000 0.000 0.313 419 G C -0.089 174.758 174.900 -0.088 0.000 1.227 419 G CA -0.423 44.628 45.100 -0.082 0.000 0.979 419 G HN 1.962 nan 8.290 nan 0.000 0.486 420 G N -0.933 107.817 108.800 -0.084 0.000 2.352 420 G HA2 0.321 4.281 3.960 0.000 0.000 0.302 420 G HA3 0.321 4.281 3.960 0.000 0.000 0.302 420 G C -1.845 172.987 174.900 -0.113 0.000 1.370 420 G CA -0.762 44.278 45.100 -0.099 0.000 0.918 420 G HN 0.795 nan 8.290 nan 0.000 0.610 421 N N 1.160 119.764 118.700 -0.159 0.000 2.549 421 N HA 0.497 5.237 4.740 0.000 0.000 0.281 421 N C -2.869 172.386 175.510 -0.424 0.000 1.084 421 N CA -1.150 51.766 53.050 -0.223 0.000 0.862 421 N CB 2.942 41.320 38.487 -0.182 0.000 1.333 421 N HN 0.244 nan 8.380 nan 0.000 0.523 422 P HA 0.134 nan 4.420 nan 0.000 0.275 422 P C -0.415 176.806 177.300 -0.132 0.000 1.266 422 P CA -0.104 62.877 63.100 -0.198 0.000 0.793 422 P CB 0.430 32.040 31.700 -0.149 0.000 1.074 423 T N 2.680 117.182 114.554 -0.086 0.000 2.817 423 T HA 0.237 4.587 4.350 0.000 0.000 0.295 423 T C -1.927 172.736 174.700 -0.061 0.000 0.958 423 T CA -0.368 61.692 62.100 -0.066 0.000 1.157 423 T CB -0.672 68.171 68.868 -0.041 0.000 0.898 423 T HN 0.364 nan 8.240 nan 0.000 0.536 424 P HA 0.331 nan 4.420 nan 0.000 0.278 424 P C -0.300 176.970 177.300 -0.049 0.000 1.266 424 P CA -0.729 62.334 63.100 -0.062 0.000 0.807 424 P CB 0.821 32.475 31.700 -0.076 0.000 1.094 425 E N 0.176 120.352 120.200 -0.040 0.000 2.249 425 E HA 0.396 4.746 4.350 0.000 0.000 0.280 425 E C -0.377 176.194 176.600 -0.050 0.000 1.016 425 E CA -0.540 55.843 56.400 -0.029 0.000 0.830 425 E CB 0.981 30.675 29.700 -0.011 0.000 1.081 425 E HN 0.344 nan 8.360 nan 0.000 0.395 426 I N 2.886 123.426 120.570 -0.050 0.000 2.330 426 I HA 0.097 4.267 4.170 0.000 0.000 0.289 426 I C 0.096 176.168 176.117 -0.075 0.000 1.001 426 I CA -0.373 60.862 61.300 -0.108 0.000 1.193 426 I CB 1.209 39.123 38.000 -0.144 0.000 1.345 426 I HN 0.433 nan 8.210 nan 0.000 0.461 427 S N 4.827 120.461 115.700 -0.109 0.000 2.549 427 S HA 0.575 5.045 4.470 0.000 0.000 0.297 427 S C -1.230 173.306 174.600 -0.106 0.000 1.115 427 S CA -0.702 57.487 58.200 -0.018 0.000 1.059 427 S CB 1.314 64.519 63.200 0.007 0.000 1.046 427 S HN 0.439 nan 8.310 nan 0.000 0.506 428 W N 0.843 122.173 121.300 0.049 0.000 2.551 428 W HA 0.585 5.246 4.660 0.000 0.000 0.330 428 W C 0.433 176.972 176.519 0.033 0.000 1.063 428 W CA -0.408 56.979 57.345 0.069 0.000 1.222 428 W CB 1.303 30.819 29.460 0.093 0.000 1.349 428 W HN 0.677 nan 8.180 nan 0.000 0.536 429 E N 2.380 122.742 120.200 0.270 0.000 2.317 429 E HA 0.514 4.865 4.350 0.000 0.000 0.270 429 E C -1.686 174.951 176.600 0.061 0.000 0.885 429 E CA -1.273 55.196 56.400 0.115 0.000 0.760 429 E CB 2.760 32.489 29.700 0.048 0.000 1.227 429 E HN 0.391 nan 8.360 nan 0.000 0.434 430 L N 2.643 123.810 121.223 -0.093 0.000 2.372 430 L HA 0.324 4.664 4.340 0.000 0.000 0.273 430 L C -1.146 175.627 176.870 -0.162 0.000 0.989 430 L CA -0.168 54.502 54.840 -0.283 0.000 0.841 430 L CB 0.761 42.505 42.059 -0.524 0.000 1.225 430 L HN 0.588 nan 8.230 nan 0.000 0.414 431 D N 4.259 124.595 120.400 -0.106 0.000 2.737 431 D HA -0.194 4.446 4.640 0.000 0.000 0.233 431 D C 1.101 177.385 176.300 -0.027 0.000 1.155 431 D CA 1.696 55.670 54.000 -0.044 0.000 0.667 431 D CB -0.805 39.974 40.800 -0.036 0.000 1.060 431 D HN 1.153 nan 8.370 nan 0.000 0.427 432 G N -0.704 108.081 108.800 -0.026 0.000 2.217 432 G HA2 -0.390 3.570 3.960 0.000 0.000 0.246 432 G HA3 -0.390 3.570 3.960 0.000 0.000 0.246 432 G C 0.384 175.270 174.900 -0.023 0.000 0.990 432 G CA 0.388 45.477 45.100 -0.018 0.000 0.627 432 G HN 0.590 nan 8.290 nan 0.000 0.522 433 K N 1.313 121.690 120.400 -0.039 0.000 2.201 433 K HA 0.472 4.793 4.320 0.000 0.000 0.278 433 K C 0.068 176.641 176.600 -0.045 0.000 1.027 433 K CA -0.638 55.622 56.287 -0.045 0.000 0.909 433 K CB 0.358 32.821 32.500 -0.063 0.000 1.062 433 K HN 0.179 nan 8.250 nan 0.000 0.465 434 K N 4.710 125.095 120.400 -0.025 0.000 2.349 434 K HA 0.152 4.472 4.320 0.000 0.000 0.288 434 K C -0.266 176.314 176.600 -0.034 0.000 1.058 434 K CA -0.485 55.799 56.287 -0.004 0.000 0.953 434 K CB 0.207 32.715 32.500 0.012 0.000 0.997 434 K HN 0.390 nan 8.250 nan 0.000 0.477 435 I N 0.402 120.947 120.570 -0.042 0.000 2.493 435 I HA 0.622 4.792 4.170 0.000 0.000 0.298 435 I C 0.052 176.149 176.117 -0.033 0.000 0.998 435 I CA -0.676 60.551 61.300 -0.121 0.000 1.137 435 I CB 1.718 39.509 38.000 -0.348 0.000 1.310 435 I HN 0.573 nan 8.210 nan 0.000 0.445 436 A N 3.485 126.283 122.820 -0.038 0.000 3.540 436 A HA 0.593 4.913 4.320 0.000 0.000 0.180 436 A C 0.038 177.642 177.584 0.032 0.000 1.231 436 A CA -0.644 51.406 52.037 0.023 0.000 0.873 436 A CB 0.170 19.185 19.000 0.025 0.000 1.548 436 A HN 0.681 nan 8.150 nan 0.000 0.570 437 N N 2.089 120.817 118.700 0.046 0.000 3.127 437 N HA 0.099 4.840 4.740 0.000 0.000 0.317 437 N C -1.089 174.448 175.510 0.045 0.000 1.242 437 N CA 0.320 53.403 53.050 0.055 0.000 1.203 437 N CB -0.951 37.564 38.487 0.047 0.000 1.462 437 N HN 0.457 nan 8.380 nan 0.000 0.546 438 N N 0.328 119.055 118.700 0.045 0.000 2.405 438 N HA 0.187 4.927 4.740 0.000 0.000 0.299 438 N C 0.306 175.868 175.510 0.087 0.000 1.075 438 N CA -0.755 52.311 53.050 0.027 0.000 0.884 438 N CB 1.546 40.009 38.487 -0.040 0.000 1.194 438 N HN 0.046 nan 8.380 nan 0.000 0.491 439 D N 0.600 121.034 120.400 0.056 0.000 3.996 439 D HA -0.290 4.350 4.640 0.000 0.000 0.140 439 D C 0.059 176.392 176.300 0.055 0.000 0.829 439 D CA 1.837 55.871 54.000 0.057 0.000 1.111 439 D CB -0.238 40.612 40.800 0.084 0.000 0.516 439 D HN 0.776 nan 8.370 nan 0.000 0.517 440 R N -0.608 119.929 120.500 0.061 0.000 2.613 440 R HA 0.354 4.695 4.340 0.000 0.000 0.361 440 R C -0.289 175.968 176.300 -0.073 0.000 1.072 440 R CA -0.285 55.799 56.100 -0.028 0.000 1.089 440 R CB -0.169 30.068 30.300 -0.105 0.000 1.343 440 R HN 0.190 nan 8.270 nan 0.000 0.571 441 Y N 2.008 122.273 120.300 -0.059 0.000 2.336 441 Y HA 0.224 4.775 4.550 0.000 0.000 0.335 441 Y C 0.403 176.273 175.900 -0.049 0.000 1.046 441 Y CA -0.304 57.759 58.100 -0.061 0.000 1.198 441 Y CB 1.088 39.520 38.460 -0.047 0.000 1.182 441 Y HN 0.019 nan 8.280 nan 0.000 0.502 442 Q N 2.759 122.590 119.800 0.052 0.000 2.333 442 Q HA 0.650 4.990 4.340 0.000 0.000 0.267 442 Q C -1.403 174.609 176.000 0.019 0.000 1.012 442 Q CA -0.987 54.840 55.803 0.039 0.000 0.824 442 Q CB 2.726 31.475 28.738 0.018 0.000 1.290 442 Q HN 0.401 nan 8.270 nan 0.000 0.449 443 V N 1.409 121.347 119.914 0.041 0.000 2.531 443 V HA 0.790 4.911 4.120 0.000 0.000 0.301 443 V C 0.051 176.209 176.094 0.106 0.000 1.034 443 V CA -0.643 61.679 62.300 0.036 0.000 0.865 443 V CB 1.732 33.592 31.823 0.061 0.000 0.995 443 V HN 0.880 nan 8.190 nan 0.000 0.424 444 G N 2.975 111.868 108.800 0.155 0.000 2.630 444 G HA2 0.750 4.711 3.960 0.000 0.000 0.296 444 G HA3 0.750 4.711 3.960 0.000 0.000 0.296 444 G C -1.371 173.665 174.900 0.226 0.000 1.285 444 G CA -0.556 44.658 45.100 0.190 0.000 0.958 444 G HN 0.658 nan 8.290 nan 0.000 0.479 445 Q N -0.365 119.553 119.800 0.197 0.000 2.443 445 Q HA 0.397 4.737 4.340 0.000 0.000 0.241 445 Q C -2.005 174.088 176.000 0.155 0.000 0.880 445 Q CA -0.809 55.071 55.803 0.127 0.000 0.974 445 Q CB 1.440 30.243 28.738 0.109 0.000 1.482 445 Q HN 0.808 nan 8.270 nan 0.000 0.448 446 Y N 0.433 120.790 120.300 0.094 0.000 2.686 446 Y HA 0.908 5.459 4.550 0.000 0.000 0.330 446 Y C -1.323 174.606 175.900 0.049 0.000 1.082 446 Y CA -1.185 56.955 58.100 0.065 0.000 1.158 446 Y CB 1.255 39.754 38.460 0.064 0.000 1.333 446 Y HN 0.154 nan 8.280 nan 0.000 0.519 447 V N 1.749 121.836 119.914 0.290 0.000 2.495 447 V HA 0.399 4.520 4.120 0.000 0.000 0.298 447 V C -0.042 176.209 176.094 0.262 0.000 1.031 447 V CA -0.589 61.802 62.300 0.152 0.000 0.871 447 V CB 1.491 33.367 31.823 0.088 0.000 0.988 447 V HN 1.020 nan 8.190 nan 0.000 0.432 448 T N 1.381 116.038 114.554 0.173 0.000 2.828 448 T HA 0.290 4.640 4.350 0.000 0.000 0.290 448 T C 1.326 176.086 174.700 0.100 0.000 1.019 448 T CA -0.447 61.762 62.100 0.180 0.000 1.031 448 T CB 1.316 70.256 68.868 0.121 0.000 1.001 448 T HN 0.244 nan 8.240 nan 0.000 0.531 449 V N 1.841 121.803 119.914 0.080 0.000 2.453 449 V HA -0.203 3.918 4.120 0.000 0.000 0.252 449 V C 2.306 178.421 176.094 0.034 0.000 1.068 449 V CA 1.977 64.305 62.300 0.047 0.000 1.070 449 V CB -1.089 30.755 31.823 0.036 0.000 0.664 449 V HN 0.790 nan 8.190 nan 0.000 0.461 450 N N 0.202 118.921 118.700 0.032 0.000 2.457 450 N HA 0.097 4.837 4.740 0.000 0.000 0.180 450 N C 1.484 176.999 175.510 0.008 0.000 1.050 450 N CA 1.124 54.184 53.050 0.017 0.000 0.906 450 N CB 0.279 38.774 38.487 0.012 0.000 0.968 450 N HN 0.605 nan 8.380 nan 0.000 0.445 451 G N 0.148 108.956 108.800 0.013 0.000 2.135 451 G HA2 -0.189 3.771 3.960 0.000 0.000 0.183 451 G HA3 -0.189 3.771 3.960 0.000 0.000 0.183 451 G C -0.994 173.895 174.900 -0.017 0.000 1.004 451 G CA -0.351 44.748 45.100 -0.000 0.000 0.677 451 G HN 0.226 nan 8.290 nan 0.000 0.512 452 D N -0.302 120.087 120.400 -0.018 0.000 2.181 452 D HA 0.558 5.198 4.640 0.000 0.000 0.248 452 D C 0.272 176.532 176.300 -0.067 0.000 1.020 452 D CA -0.379 53.593 54.000 -0.046 0.000 0.891 452 D CB 2.081 42.852 40.800 -0.049 0.000 1.187 452 D HN 0.056 nan 8.370 nan 0.000 0.443 453 V N 2.288 122.145 119.914 -0.095 0.000 2.432 453 V HA 0.167 4.287 4.120 0.000 0.000 0.271 453 V C -0.098 175.870 176.094 -0.211 0.000 1.046 453 V CA -0.441 61.779 62.300 -0.134 0.000 0.945 453 V CB 1.455 33.220 31.823 -0.096 0.000 0.992 453 V HN 0.263 nan 8.190 nan 0.000 0.471 454 V N 5.490 125.168 119.914 -0.394 0.000 2.318 454 V HA 0.349 4.469 4.120 0.000 0.000 0.271 454 V C 0.295 176.156 176.094 -0.389 0.000 1.030 454 V CA -0.041 61.963 62.300 -0.494 0.000 0.844 454 V CB 1.446 32.756 31.823 -0.854 0.000 1.015 454 V HN 0.836 nan 8.190 nan 0.000 0.460 455 S N 5.134 120.741 115.700 -0.155 0.000 2.449 455 S HA 0.702 5.172 4.470 0.000 0.000 0.310 455 S C -1.160 173.559 174.600 0.198 0.000 1.096 455 S CA -0.364 57.891 58.200 0.092 0.000 1.095 455 S CB 0.632 63.950 63.200 0.197 0.000 1.007 455 S HN 0.496 nan 8.310 nan 0.000 0.474 456 Y N 3.156 123.597 120.300 0.235 0.000 2.420 456 Y HA 0.641 5.191 4.550 0.000 0.000 0.334 456 Y C -0.289 175.550 175.900 -0.101 0.000 1.094 456 Y CA -0.932 57.248 58.100 0.134 0.000 1.126 456 Y CB 1.731 40.237 38.460 0.077 0.000 1.217 456 Y HN 0.576 nan 8.280 nan 0.000 0.462 457 L N 5.174 126.230 121.223 -0.278 0.000 2.353 457 L HA 0.545 4.885 4.340 0.000 0.000 0.270 457 L C -1.642 175.047 176.870 -0.302 0.000 1.003 457 L CA -0.866 53.569 54.840 -0.676 0.000 0.862 457 L CB 0.243 41.236 42.059 -1.776 0.000 1.221 457 L HN 0.510 nan 8.230 nan 0.000 0.430 458 N N 5.646 124.278 118.700 -0.113 0.000 2.422 458 N HA 0.438 5.178 4.740 0.000 0.000 0.266 458 N C -0.780 174.609 175.510 -0.200 0.000 1.007 458 N CA -0.088 52.945 53.050 -0.028 0.000 0.941 458 N CB 2.184 40.753 38.487 0.137 0.000 1.115 458 N HN 0.656 nan 8.380 nan 0.000 0.492 459 I N 1.578 121.924 120.570 -0.373 0.000 2.339 459 I HA 0.125 4.295 4.170 0.000 0.000 0.290 459 I C 1.070 176.950 176.117 -0.395 0.000 0.994 459 I CA -0.152 60.844 61.300 -0.506 0.000 1.191 459 I CB 0.939 38.542 38.000 -0.661 0.000 1.343 459 I HN 0.501 nan 8.210 nan 0.000 0.458 460 T N 3.664 118.049 114.554 -0.282 0.000 2.684 460 T HA -0.147 4.203 4.350 0.000 0.000 0.267 460 T C 0.762 175.361 174.700 -0.168 0.000 1.036 460 T CA 1.488 63.487 62.100 -0.168 0.000 1.148 460 T CB -0.098 68.707 68.868 -0.105 0.000 0.863 460 T HN 0.564 nan 8.240 nan 0.000 0.436 461 S N 0.864 116.473 115.700 -0.152 0.000 2.385 461 S HA 0.323 4.794 4.470 0.000 0.000 0.191 461 S C -0.597 173.996 174.600 -0.012 0.000 1.196 461 S CA -0.726 57.426 58.200 -0.080 0.000 1.178 461 S CB 0.688 63.890 63.200 0.003 0.000 1.258 461 S HN 0.257 nan 8.310 nan 0.000 0.430 462 V N 5.628 125.470 119.914 -0.120 0.000 2.625 462 V HA 0.150 4.270 4.120 0.000 0.000 0.305 462 V C -0.159 175.962 176.094 0.044 0.000 1.055 462 V CA 1.116 63.367 62.300 -0.082 0.000 1.209 462 V CB -0.220 31.522 31.823 -0.136 0.000 0.877 462 V HN 0.897 nan 8.190 nan 0.000 0.489 463 H N 4.934 123.950 119.070 -0.089 0.000 2.508 463 H HA 0.626 5.182 4.556 0.000 0.000 0.344 463 H C 1.090 176.392 175.328 -0.044 0.000 1.192 463 H CA 0.112 56.121 56.048 -0.064 0.000 1.290 463 H CB 1.656 31.382 29.762 -0.061 0.000 1.571 463 H HN 0.799 nan 8.280 nan 0.000 0.555 464 A N 2.241 125.052 122.820 -0.015 0.000 1.957 464 A HA -0.352 3.968 4.320 0.000 0.000 0.224 464 A C 1.057 178.642 177.584 0.001 0.000 1.287 464 A CA 2.701 54.721 52.037 -0.029 0.000 0.682 464 A CB -0.849 18.098 19.000 -0.089 0.000 0.833 464 A HN 0.901 nan 8.150 nan 0.000 0.482 465 N N -2.220 116.470 118.700 -0.017 0.000 2.497 465 N HA 0.257 4.997 4.740 0.000 0.000 0.284 465 N C -0.366 175.205 175.510 0.101 0.000 1.459 465 N CA 0.182 53.232 53.050 0.001 0.000 0.899 465 N CB 0.615 38.953 38.487 -0.248 0.000 1.316 465 N HN 0.192 nan 8.380 nan 0.000 0.500 466 D N 0.216 120.707 120.400 0.152 0.000 2.289 466 D HA 0.043 4.683 4.640 0.000 0.000 0.207 466 D C 1.002 177.496 176.300 0.323 0.000 0.966 466 D CA 0.486 54.640 54.000 0.256 0.000 0.868 466 D CB -0.248 40.692 40.800 0.233 0.000 0.943 466 D HN 0.495 nan 8.370 nan 0.000 0.514 467 G N -0.552 108.396 108.800 0.246 0.000 2.554 467 G HA2 0.431 4.391 3.960 0.000 0.000 0.238 467 G HA3 0.431 4.391 3.960 0.000 0.000 0.238 467 G C 0.519 175.573 174.900 0.256 0.000 1.259 467 G CA 0.428 45.694 45.100 0.276 0.000 0.843 467 G HN 0.359 nan 8.290 nan 0.000 0.582 468 G N -0.307 108.666 108.800 0.288 0.000 2.455 468 G HA2 0.424 4.384 3.960 0.000 0.000 0.223 468 G HA3 0.424 4.384 3.960 0.000 0.000 0.223 468 G C -1.647 173.388 174.900 0.225 0.000 1.226 468 G CA -0.409 44.799 45.100 0.179 0.000 0.948 468 G HN 1.258 nan 8.290 nan 0.000 0.478 469 L N 1.412 122.709 121.223 0.124 0.000 2.264 469 L HA 0.756 5.096 4.340 0.000 0.000 0.287 469 L C -1.251 175.704 176.870 0.142 0.000 1.039 469 L CA -1.402 53.534 54.840 0.159 0.000 0.829 469 L CB -0.130 41.980 42.059 0.086 0.000 1.211 469 L HN 0.430 nan 8.230 nan 0.000 0.427 470 Y N 4.520 124.951 120.300 0.218 0.000 2.310 470 Y HA 0.560 5.111 4.550 0.000 0.000 0.326 470 Y C 0.312 176.441 175.900 0.382 0.000 1.151 470 Y CA -0.192 58.091 58.100 0.305 0.000 1.195 470 Y CB 1.166 39.809 38.460 0.304 0.000 1.210 470 Y HN 0.572 nan 8.280 nan 0.000 0.483 471 K N 1.824 122.487 120.400 0.438 0.000 2.498 471 K HA 0.726 5.046 4.320 0.000 0.000 0.254 471 K C -1.450 175.218 176.600 0.113 0.000 0.933 471 K CA -0.879 55.565 56.287 0.261 0.000 0.806 471 K CB 1.237 33.771 32.500 0.056 0.000 1.301 471 K HN 0.714 nan 8.250 nan 0.000 0.432 472 c N 1.816 120.338 118.600 -0.131 0.000 2.365 472 c HA 0.739 5.310 4.570 0.000 0.000 0.351 472 c C 0.068 173.986 174.090 -0.287 0.000 1.240 472 c CA -0.863 55.123 56.329 -0.572 0.000 2.062 472 c CB -0.776 41.114 42.510 -1.033 0.000 2.387 472 c HN 0.807 nan 8.230 nan 0.000 0.537 473 I N 3.480 123.885 120.570 -0.275 0.000 2.390 473 I HA 0.415 4.585 4.170 0.000 0.000 0.283 473 I C 0.616 176.637 176.117 -0.160 0.000 1.016 473 I CA -0.327 60.877 61.300 -0.159 0.000 1.151 473 I CB 1.307 39.248 38.000 -0.100 0.000 1.293 473 I HN 0.929 nan 8.210 nan 0.000 0.458 474 A N 7.358 130.095 122.820 -0.140 0.000 2.527 474 A HA 0.266 4.586 4.320 0.000 0.000 0.313 474 A C 0.039 177.569 177.584 -0.090 0.000 1.410 474 A CA -0.264 51.700 52.037 -0.121 0.000 1.060 474 A CB -0.004 18.923 19.000 -0.122 0.000 1.137 474 A HN 0.598 nan 8.150 nan 0.000 0.542 475 K N 2.150 122.506 120.400 -0.074 0.000 2.185 475 K HA 0.489 4.810 4.320 0.000 0.000 0.269 475 K C -0.709 175.863 176.600 -0.047 0.000 0.987 475 K CA -0.016 56.240 56.287 -0.053 0.000 0.865 475 K CB 1.310 33.786 32.500 -0.040 0.000 1.090 475 K HN 0.570 nan 8.250 nan 0.000 0.450 476 S N 2.573 118.248 115.700 -0.041 0.000 2.568 476 S HA 0.271 4.741 4.470 0.000 0.000 0.293 476 S C 0.494 175.086 174.600 -0.013 0.000 1.089 476 S CA -0.760 57.418 58.200 -0.038 0.000 0.945 476 S CB 1.103 64.266 63.200 -0.061 0.000 1.077 476 S HN 0.668 nan 8.310 nan 0.000 0.485 477 K N 1.665 122.063 120.400 -0.003 0.000 2.589 477 K HA 0.128 4.448 4.320 0.000 0.000 0.192 477 K C 0.723 177.358 176.600 0.059 0.000 1.029 477 K CA 0.602 56.904 56.287 0.025 0.000 1.031 477 K CB -0.028 32.490 32.500 0.030 0.000 0.821 477 K HN 0.293 nan 8.250 nan 0.000 0.502 478 V N 0.268 120.210 119.914 0.047 0.000 3.319 478 V HA 0.337 4.457 4.120 0.000 0.000 0.317 478 V C 0.160 176.316 176.094 0.104 0.000 1.411 478 V CA 0.641 63.007 62.300 0.111 0.000 1.112 478 V CB 0.115 31.974 31.823 0.059 0.000 1.031 478 V HN 0.695 nan 8.190 nan 0.000 0.448 479 G N -0.699 108.134 108.800 0.055 0.000 2.347 479 G HA2 0.254 4.214 3.960 0.000 0.000 0.477 479 G HA3 0.254 4.214 3.960 0.000 0.000 0.477 479 G C -1.661 173.233 174.900 -0.009 0.000 1.349 479 G CA 0.009 45.134 45.100 0.042 0.000 1.000 479 G HN 0.652 nan 8.290 nan 0.000 0.605 480 V N -0.429 119.470 119.914 -0.025 0.000 3.001 480 V HA 1.022 5.142 4.120 0.000 0.000 0.314 480 V C -0.212 175.839 176.094 -0.072 0.000 1.099 480 V CA 0.345 62.617 62.300 -0.047 0.000 0.989 480 V CB 1.916 33.718 31.823 -0.035 0.000 1.040 480 V HN 2.712 nan 8.190 nan 0.000 0.434 481 A N 4.254 127.026 122.820 -0.080 0.000 2.491 481 A HA 0.757 5.077 4.320 0.000 0.000 0.293 481 A C -0.979 176.556 177.584 -0.081 0.000 1.047 481 A CA -0.358 51.626 52.037 -0.088 0.000 0.735 481 A CB 1.460 20.393 19.000 -0.110 0.000 1.281 481 A HN 1.010 nan 8.150 nan 0.000 0.398 482 E N 1.431 121.592 120.200 -0.065 0.000 2.299 482 E HA 0.714 5.064 4.350 0.000 0.000 0.265 482 E C -1.255 175.339 176.600 -0.010 0.000 0.911 482 E CA -0.785 55.581 56.400 -0.057 0.000 0.789 482 E CB 1.962 31.625 29.700 -0.061 0.000 1.246 482 E HN 0.761 nan 8.360 nan 0.000 0.427 483 H N 0.374 119.364 119.070 -0.133 0.000 2.840 483 H HA 0.408 4.965 4.556 0.000 0.000 0.340 483 H C -1.637 173.615 175.328 -0.127 0.000 1.004 483 H CA -0.387 55.571 56.048 -0.151 0.000 1.288 483 H CB 1.733 31.377 29.762 -0.197 0.000 1.607 483 H HN 0.459 nan 8.280 nan 0.000 0.522 484 S N 2.888 118.220 115.700 -0.614 0.000 2.651 484 S HA 0.959 5.430 4.470 0.000 0.000 0.291 484 S C -0.765 173.433 174.600 -0.671 0.000 1.141 484 S CA -0.061 57.882 58.200 -0.429 0.000 1.027 484 S CB 1.549 64.640 63.200 -0.182 0.000 1.043 484 S HN 0.918 nan 8.310 nan 0.000 0.530 485 A N 1.479 124.153 122.820 -0.243 0.000 2.599 485 A HA 0.623 4.943 4.320 0.000 0.000 0.294 485 A C -1.432 176.279 177.584 0.212 0.000 1.055 485 A CA -0.793 51.161 52.037 -0.138 0.000 0.683 485 A CB 1.150 19.859 19.000 -0.485 0.000 1.278 485 A HN 0.618 nan 8.150 nan 0.000 0.412 486 K N 0.732 121.232 120.400 0.167 0.000 2.183 486 K HA 0.597 4.917 4.320 0.000 0.000 0.274 486 K C -1.618 175.108 176.600 0.210 0.000 1.009 486 K CA -0.590 55.815 56.287 0.197 0.000 0.888 486 K CB 1.118 33.690 32.500 0.119 0.000 1.078 486 K HN 0.604 nan 8.250 nan 0.000 0.459 487 L N 4.644 126.015 121.223 0.246 0.000 2.319 487 L HA 0.414 4.754 4.340 0.000 0.000 0.281 487 L C -1.535 175.414 176.870 0.132 0.000 1.005 487 L CA -0.348 54.572 54.840 0.134 0.000 0.828 487 L CB 1.178 43.241 42.059 0.006 0.000 1.227 487 L HN 0.519 nan 8.230 nan 0.000 0.415 488 N N 3.890 122.618 118.700 0.047 0.000 2.408 488 N HA 0.603 5.343 4.740 0.000 0.000 0.280 488 N C -1.180 174.358 175.510 0.047 0.000 1.002 488 N CA -0.350 52.724 53.050 0.042 0.000 0.907 488 N CB 2.226 40.639 38.487 -0.124 0.000 1.161 488 N HN 0.324 nan 8.380 nan 0.000 0.488 489 V N 2.593 122.575 119.914 0.114 0.000 2.495 489 V HA 0.313 4.433 4.120 0.000 0.000 0.298 489 V C -0.446 175.755 176.094 0.178 0.000 1.031 489 V CA -0.852 61.526 62.300 0.131 0.000 0.871 489 V CB 0.778 32.662 31.823 0.101 0.000 0.988 489 V HN 0.527 nan 8.190 nan 0.000 0.432 490 Y N 2.730 123.077 120.300 0.078 0.000 2.511 490 Y HA 0.524 5.074 4.550 0.000 0.000 0.332 490 Y C 0.985 176.904 175.900 0.031 0.000 1.177 490 Y CA 1.843 59.999 58.100 0.093 0.000 1.422 490 Y CB 0.973 39.470 38.460 0.062 0.000 1.271 490 Y HN 0.948 nan 8.280 nan 0.000 0.550 491 G N 2.057 110.908 108.800 0.085 0.000 2.336 491 G HA2 0.269 4.229 3.960 0.000 0.000 0.300 491 G HA3 0.269 4.229 3.960 0.000 0.000 0.300 491 G C -2.173 172.701 174.900 -0.043 0.000 1.375 491 G CA -1.335 43.773 45.100 0.014 0.000 0.885 491 G HN 0.378 nan 8.290 nan 0.000 0.599 492 L N 1.253 122.426 121.223 -0.083 0.000 2.464 492 L HA 0.460 4.800 4.340 0.000 0.000 0.264 492 L C -1.644 175.229 176.870 0.005 0.000 1.199 492 L CA -1.334 53.441 54.840 -0.107 0.000 0.818 492 L CB 0.110 42.041 42.059 -0.213 0.000 1.102 492 L HN 0.327 nan 8.230 nan 0.000 0.473 493 P HA 0.071 nan 4.420 nan 0.000 0.265 493 P C -1.680 175.707 177.300 0.144 0.000 1.193 493 P CA 0.322 63.464 63.100 0.069 0.000 0.765 493 P CB 0.118 31.847 31.700 0.049 0.000 0.823 494 Y N 3.272 123.565 120.300 -0.011 0.000 2.323 494 Y HA 0.458 5.008 4.550 0.000 0.000 0.322 494 Y C -1.358 174.536 175.900 -0.010 0.000 1.133 494 Y CA -0.786 57.310 58.100 -0.007 0.000 1.093 494 Y CB 0.979 39.442 38.460 0.004 0.000 1.203 494 Y HN 0.193 nan 8.280 nan 0.000 0.427 495 I N 6.630 126.938 120.570 -0.437 0.000 2.385 495 I HA 0.489 4.659 4.170 0.000 0.000 0.294 495 I C 0.303 176.104 176.117 -0.526 0.000 0.988 495 I CA -0.860 60.231 61.300 -0.348 0.000 1.265 495 I CB 1.314 39.158 38.000 -0.259 0.000 1.388 495 I HN 0.604 nan 8.210 nan 0.000 0.480 496 R N 3.301 123.643 120.500 -0.263 0.000 2.652 496 R HA 0.235 4.575 4.340 0.000 0.000 0.272 496 R C -0.153 176.062 176.300 -0.141 0.000 1.162 496 R CA -0.790 55.208 56.100 -0.170 0.000 1.199 496 R CB 0.385 30.673 30.300 -0.020 0.000 1.166 496 R HN 0.493 nan 8.270 nan 0.000 0.597 497 Q N 0.867 120.624 119.800 -0.072 0.000 2.354 497 Q HA 0.218 4.559 4.340 0.000 0.000 0.244 497 Q C -0.363 175.625 176.000 -0.020 0.000 0.969 497 Q CA 0.514 56.290 55.803 -0.044 0.000 0.885 497 Q CB 1.230 29.956 28.738 -0.019 0.000 1.241 497 Q HN 0.416 nan 8.270 nan 0.000 0.461 498 M N 1.895 121.493 119.600 -0.004 0.000 2.106 498 M HA 0.306 4.787 4.480 0.000 0.000 0.288 498 M C -0.292 176.023 176.300 0.025 0.000 0.941 498 M CA -0.341 54.972 55.300 0.021 0.000 0.934 498 M CB 1.872 34.504 32.600 0.053 0.000 1.551 498 M HN 0.299 nan 8.290 nan 0.000 0.437 499 E N 3.151 123.362 120.200 0.018 0.000 2.398 499 E HA 0.091 4.442 4.350 0.000 0.000 0.263 499 E C -0.288 176.326 176.600 0.023 0.000 1.046 499 E CA -0.261 56.149 56.400 0.017 0.000 0.908 499 E CB 0.784 30.490 29.700 0.009 0.000 0.963 499 E HN 0.498 nan 8.360 nan 0.000 0.431 500 K N 1.786 122.200 120.400 0.024 0.000 2.504 500 K HA -0.057 4.264 4.320 0.000 0.000 0.278 500 K C -0.239 176.371 176.600 0.017 0.000 1.025 500 K CA 0.164 56.468 56.287 0.028 0.000 1.093 500 K CB 0.342 32.857 32.500 0.026 0.000 0.873 500 K HN 0.053 nan 8.250 nan 0.000 0.483 501 K N 3.037 123.445 120.400 0.014 0.000 2.263 501 K HA 0.225 4.545 4.320 0.000 0.000 0.282 501 K C -1.022 175.571 176.600 -0.011 0.000 1.089 501 K CA -0.274 56.008 56.287 -0.008 0.000 0.907 501 K CB 0.815 33.295 32.500 -0.033 0.000 1.148 501 K HN 0.691 nan 8.250 nan 0.000 0.470 502 A N 6.600 129.414 122.820 -0.010 0.000 2.316 502 A HA 0.468 4.789 4.320 0.000 0.000 0.311 502 A C -0.554 177.018 177.584 -0.019 0.000 1.339 502 A CA -0.599 51.432 52.037 -0.009 0.000 0.960 502 A CB -0.162 18.836 19.000 -0.004 0.000 1.152 502 A HN 0.635 nan 8.150 nan 0.000 0.547 503 I N 3.058 123.613 120.570 -0.024 0.000 2.693 503 I HA 0.459 4.629 4.170 0.000 0.000 0.303 503 I C 0.206 176.306 176.117 -0.030 0.000 1.025 503 I CA -0.570 60.711 61.300 -0.033 0.000 1.086 503 I CB 1.990 39.960 38.000 -0.050 0.000 1.268 503 I HN 0.500 nan 8.210 nan 0.000 0.440 504 V N 1.788 121.680 119.914 -0.035 0.000 2.732 504 V HA 0.825 4.945 4.120 0.000 0.000 0.310 504 V C 0.491 176.559 176.094 -0.042 0.000 1.053 504 V CA -1.070 61.207 62.300 -0.039 0.000 0.957 504 V CB 1.321 33.114 31.823 -0.050 0.000 1.018 504 V HN 0.878 nan 8.190 nan 0.000 0.452 505 A N 2.518 125.313 122.820 -0.042 0.000 2.600 505 A HA 0.406 4.726 4.320 0.000 0.000 0.244 505 A C 1.714 179.274 177.584 -0.041 0.000 1.016 505 A CA 1.046 53.060 52.037 -0.038 0.000 0.778 505 A CB -1.199 17.776 19.000 -0.041 0.000 0.920 505 A HN 2.885 nan 8.150 nan 0.000 0.513 506 G N 1.452 110.232 108.800 -0.034 0.000 2.234 506 G HA2 -0.228 3.732 3.960 0.000 0.000 0.260 506 G HA3 -0.228 3.732 3.960 0.000 0.000 0.260 506 G C 0.188 175.067 174.900 -0.034 0.000 0.987 506 G CA 0.529 45.609 45.100 -0.032 0.000 0.625 506 G HN 0.891 nan 8.290 nan 0.000 0.532 507 E N 0.812 120.989 120.200 -0.039 0.000 2.392 507 E HA 0.387 4.737 4.350 0.000 0.000 0.259 507 E C 0.154 176.728 176.600 -0.044 0.000 1.108 507 E CA 0.289 56.666 56.400 -0.039 0.000 0.916 507 E CB 0.456 30.132 29.700 -0.041 0.000 0.989 507 E HN 0.165 nan 8.360 nan 0.000 0.432 508 T N 2.152 116.680 114.554 -0.044 0.000 2.738 508 T HA 0.300 4.650 4.350 0.000 0.000 0.298 508 T C 0.161 174.820 174.700 -0.069 0.000 0.962 508 T CA -0.463 61.606 62.100 -0.052 0.000 0.972 508 T CB 0.009 68.853 68.868 -0.040 0.000 0.928 508 T HN 0.238 nan 8.240 nan 0.000 0.474 509 L N 6.496 127.662 121.223 -0.095 0.000 2.315 509 L HA 0.552 4.892 4.340 0.000 0.000 0.283 509 L C -0.854 175.930 176.870 -0.144 0.000 1.089 509 L CA -0.299 54.464 54.840 -0.128 0.000 0.833 509 L CB -0.019 41.933 42.059 -0.179 0.000 1.170 509 L HN 0.574 nan 8.230 nan 0.000 0.442 510 I N 6.143 126.640 120.570 -0.121 0.000 2.389 510 I HA 0.525 4.695 4.170 0.000 0.000 0.288 510 I C -0.752 175.294 176.117 -0.119 0.000 0.999 510 I CA -0.780 60.450 61.300 -0.118 0.000 1.129 510 I CB 1.731 39.682 38.000 -0.081 0.000 1.288 510 I HN 0.401 nan 8.210 nan 0.000 0.444 511 V N 4.866 124.687 119.914 -0.154 0.000 2.808 511 V HA 0.560 4.680 4.120 0.000 0.000 0.308 511 V C -0.622 175.472 176.094 0.001 0.000 1.099 511 V CA 0.067 62.308 62.300 -0.098 0.000 0.920 511 V CB 2.715 34.434 31.823 -0.173 0.000 1.014 511 V HN 0.830 nan 8.190 nan 0.000 0.425 512 T N 5.030 119.656 114.554 0.120 0.000 2.786 512 T HA 0.225 4.576 4.350 0.000 0.000 0.283 512 T C -0.359 174.518 174.700 0.294 0.000 0.992 512 T CA -0.187 62.038 62.100 0.208 0.000 0.954 512 T CB 0.948 69.879 68.868 0.106 0.000 0.934 512 T HN 0.918 nan 8.240 nan 0.000 0.440 513 c N 8.261 127.110 118.600 0.415 0.000 2.667 513 c HA 0.250 4.820 4.570 0.000 0.000 0.385 513 c C -1.749 172.370 174.090 0.050 0.000 1.299 513 c CA -1.805 54.620 56.329 0.160 0.000 1.554 513 c CB -0.925 41.487 42.510 -0.163 0.000 2.275 513 c HN 0.547 nan 8.230 nan 0.000 0.588 514 P HA 0.155 nan 4.420 nan 0.000 0.268 514 P C 0.068 177.368 177.300 0.000 0.000 1.485 514 P CA 0.448 63.561 63.100 0.021 0.000 1.102 514 P CB 0.045 31.753 31.700 0.013 0.000 1.501 515 V N 1.271 121.196 119.914 0.018 0.000 3.036 515 V HA 0.902 5.022 4.120 0.000 0.000 0.308 515 V C -0.073 176.076 176.094 0.093 0.000 1.070 515 V CA -0.996 61.321 62.300 0.028 0.000 1.056 515 V CB 1.099 32.932 31.823 0.018 0.000 1.084 515 V HN 0.571 nan 8.190 nan 0.000 0.471 516 A N 1.195 124.097 122.820 0.136 0.000 2.572 516 A HA 0.969 5.289 4.320 0.000 0.000 0.295 516 A C 0.090 177.760 177.584 0.143 0.000 1.072 516 A CA -0.250 51.892 52.037 0.175 0.000 0.691 516 A CB 1.208 20.368 19.000 0.268 0.000 1.291 516 A HN 2.868 nan 8.150 nan 0.000 0.404 517 G N -0.765 108.103 108.800 0.114 0.000 2.907 517 G HA2 0.112 4.072 3.960 0.000 0.000 0.686 517 G HA3 0.112 4.072 3.960 0.000 0.000 0.686 517 G C -0.278 174.659 174.900 0.061 0.000 1.115 517 G CA 0.335 45.475 45.100 0.067 0.000 0.760 517 G HN 2.198 nan 8.290 nan 0.000 0.620 518 Y N 3.004 123.224 120.300 -0.134 0.000 2.503 518 Y HA 0.302 4.852 4.550 0.000 0.000 0.277 518 Y C -0.106 175.671 175.900 -0.205 0.000 1.102 518 Y CA 1.065 59.060 58.100 -0.175 0.000 1.261 518 Y CB 0.143 38.458 38.460 -0.242 0.000 1.096 518 Y HN 0.445 nan 8.280 nan 0.000 0.546 519 P HA -0.012 nan 4.420 nan 0.000 0.258 519 P C 0.291 177.377 177.300 -0.357 0.000 1.319 519 P CA 0.348 63.054 63.100 -0.656 0.000 0.785 519 P CB -0.427 31.036 31.700 -0.396 0.000 1.252 520 I N 1.760 122.172 120.570 -0.264 0.000 2.752 520 I HA -0.104 4.066 4.170 0.000 0.000 0.289 520 I C 1.071 177.123 176.117 -0.109 0.000 1.197 520 I CA 0.924 62.151 61.300 -0.122 0.000 1.432 520 I CB 0.484 38.452 38.000 -0.053 0.000 1.359 520 I HN -0.036 nan 8.210 nan 0.000 0.571 521 D N 4.589 124.949 120.400 -0.067 0.000 2.566 521 D HA 0.049 4.689 4.640 0.000 0.000 0.253 521 D C -0.217 176.070 176.300 -0.022 0.000 0.992 521 D CA 0.372 54.342 54.000 -0.050 0.000 0.940 521 D CB 0.538 41.314 40.800 -0.041 0.000 1.095 521 D HN 0.506 nan 8.370 nan 0.000 0.480 522 S N 0.230 115.919 115.700 -0.018 0.000 2.733 522 S HA 0.519 4.989 4.470 0.000 0.000 0.294 522 S C -0.537 174.055 174.600 -0.013 0.000 1.149 522 S CA -0.798 57.398 58.200 -0.007 0.000 1.034 522 S CB 1.207 64.402 63.200 -0.008 0.000 1.015 522 S HN 0.212 nan 8.310 nan 0.000 0.486 523 I N 3.201 123.772 120.570 0.001 0.000 2.371 523 I HA 0.434 4.605 4.170 0.000 0.000 0.282 523 I C -0.640 175.481 176.117 0.005 0.000 1.031 523 I CA -0.860 60.428 61.300 -0.021 0.000 1.180 523 I CB 1.441 39.442 38.000 0.003 0.000 1.336 523 I HN 0.450 nan 8.210 nan 0.000 0.467 524 V N 6.945 126.836 119.914 -0.038 0.000 2.555 524 V HA 0.454 4.574 4.120 0.000 0.000 0.302 524 V C -1.247 174.835 176.094 -0.020 0.000 1.038 524 V CA -0.410 61.906 62.300 0.027 0.000 0.887 524 V CB 1.985 33.824 31.823 0.026 0.000 0.991 524 V HN 0.621 nan 8.190 nan 0.000 0.434 525 W N 4.379 125.700 121.300 0.034 0.000 2.365 525 W HA 0.598 5.258 4.660 0.000 0.000 0.316 525 W C 0.285 176.833 176.519 0.049 0.000 1.164 525 W CA -0.136 57.241 57.345 0.053 0.000 1.204 525 W CB 1.048 30.552 29.460 0.073 0.000 1.213 525 W HN 0.515 nan 8.180 nan 0.000 0.539 526 E N 2.605 122.972 120.200 0.279 0.000 2.293 526 E HA 0.413 4.764 4.350 0.000 0.000 0.270 526 E C -0.731 175.962 176.600 0.154 0.000 0.879 526 E CA -1.337 55.159 56.400 0.162 0.000 0.756 526 E CB 2.368 32.104 29.700 0.060 0.000 1.208 526 E HN 0.074 nan 8.360 nan 0.000 0.428 527 R N 2.176 122.708 120.500 0.054 0.000 2.393 527 R HA 0.151 4.491 4.340 0.000 0.000 0.315 527 R C -1.055 175.202 176.300 -0.072 0.000 0.952 527 R CA -0.373 55.675 56.100 -0.087 0.000 0.842 527 R CB 0.473 30.649 30.300 -0.205 0.000 1.163 527 R HN 0.601 nan 8.270 nan 0.000 0.450 528 D N 2.893 123.246 120.400 -0.078 0.000 2.701 528 D HA -0.271 4.370 4.640 0.000 0.000 0.235 528 D C 0.627 176.908 176.300 -0.032 0.000 1.155 528 D CA 1.596 55.563 54.000 -0.055 0.000 0.649 528 D CB -0.828 39.932 40.800 -0.066 0.000 1.050 528 D HN 0.961 nan 8.370 nan 0.000 0.425 529 N N -1.995 116.693 118.700 -0.020 0.000 2.896 529 N HA -0.265 4.476 4.740 0.000 0.000 0.198 529 N C -0.093 175.415 175.510 -0.003 0.000 1.061 529 N CA 1.036 54.080 53.050 -0.011 0.000 1.096 529 N CB -0.359 38.119 38.487 -0.014 0.000 0.963 529 N HN 0.313 nan 8.380 nan 0.000 0.570 530 R N 1.293 121.790 120.500 -0.005 0.000 2.582 530 R HA 0.486 4.827 4.340 0.000 0.000 0.271 530 R C 0.301 176.615 176.300 0.024 0.000 1.078 530 R CA 0.423 56.525 56.100 0.003 0.000 1.127 530 R CB 0.678 30.975 30.300 -0.005 0.000 1.038 530 R HN 0.268 nan 8.270 nan 0.000 0.500 531 A N 2.593 125.431 122.820 0.030 0.000 2.511 531 A HA -0.031 4.289 4.320 0.000 0.000 0.242 531 A C 1.151 178.776 177.584 0.068 0.000 1.069 531 A CA -0.356 51.714 52.037 0.054 0.000 0.763 531 A CB 0.281 19.304 19.000 0.038 0.000 1.001 531 A HN 0.712 nan 8.150 nan 0.000 0.498 532 L N 3.820 125.116 121.223 0.122 0.000 2.012 532 L HA 0.026 4.366 4.340 0.000 0.000 0.210 532 L C -1.197 175.716 176.870 0.072 0.000 1.073 532 L CA 2.060 56.984 54.840 0.139 0.000 0.748 532 L CB -1.152 41.048 42.059 0.235 0.000 0.891 532 L HN 0.513 nan 8.230 nan 0.000 0.431 533 P HA 0.067 nan 4.420 nan 0.000 0.267 533 P C -0.110 177.189 177.300 -0.002 0.000 1.328 533 P CA 0.393 63.490 63.100 -0.004 0.000 0.990 533 P CB -0.227 31.448 31.700 -0.041 0.000 1.168 534 I N 0.536 121.108 120.570 0.004 0.000 3.994 534 I HA 0.351 4.521 4.170 0.000 0.000 0.323 534 I C -0.230 175.885 176.117 -0.003 0.000 1.501 534 I CA -0.548 60.751 61.300 -0.001 0.000 1.112 534 I CB -0.065 37.936 38.000 0.002 0.000 1.254 534 I HN 0.125 nan 8.210 nan 0.000 0.495 535 N N 0.099 118.796 118.700 -0.004 0.000 2.961 535 N HA 0.284 5.024 4.740 0.000 0.000 0.245 535 N C -0.315 175.188 175.510 -0.011 0.000 1.404 535 N CA -0.860 52.186 53.050 -0.005 0.000 0.880 535 N CB 1.072 39.560 38.487 0.002 0.000 1.461 535 N HN -0.131 nan 8.380 nan 0.000 0.510 536 R N 0.215 120.709 120.500 -0.010 0.000 2.200 536 R HA -0.011 4.329 4.340 0.000 0.000 0.234 536 R C 1.431 177.723 176.300 -0.014 0.000 1.127 536 R CA 1.254 57.346 56.100 -0.013 0.000 0.989 536 R CB -0.133 30.162 30.300 -0.010 0.000 0.869 536 R HN 0.468 nan 8.270 nan 0.000 0.459 537 K N 0.603 120.997 120.400 -0.011 0.000 2.167 537 K HA -0.000 4.320 4.320 0.000 0.000 0.203 537 K C 0.381 176.967 176.600 -0.025 0.000 1.052 537 K CA 0.898 57.176 56.287 -0.015 0.000 0.956 537 K CB 0.111 32.606 32.500 -0.009 0.000 0.735 537 K HN 0.331 nan 8.250 nan 0.000 0.451 538 Q N 0.982 120.768 119.800 -0.024 0.000 2.256 538 Q HA 0.263 4.604 4.340 0.000 0.000 0.254 538 Q C -0.745 175.218 176.000 -0.063 0.000 0.916 538 Q CA 0.038 55.818 55.803 -0.040 0.000 0.932 538 Q CB 1.427 30.159 28.738 -0.010 0.000 1.207 538 Q HN -0.079 nan 8.270 nan 0.000 0.426 539 K N 1.386 121.737 120.400 -0.082 0.000 2.422 539 K HA 0.709 5.029 4.320 0.000 0.000 0.251 539 K C -1.393 175.109 176.600 -0.164 0.000 0.933 539 K CA -0.717 55.485 56.287 -0.142 0.000 0.798 539 K CB 2.305 34.755 32.500 -0.084 0.000 1.238 539 K HN 0.261 nan 8.250 nan 0.000 0.428 540 V N 3.047 122.775 119.914 -0.310 0.000 2.888 540 V HA 0.534 4.654 4.120 0.000 0.000 0.309 540 V C -1.368 174.509 176.094 -0.362 0.000 1.114 540 V CA -0.886 61.311 62.300 -0.170 0.000 0.940 540 V CB 1.579 33.381 31.823 -0.036 0.000 1.021 540 V HN 0.597 nan 8.190 nan 0.000 0.426 541 F N 3.670 123.648 119.950 0.045 0.000 2.546 541 F HA 0.546 5.073 4.527 0.000 0.000 0.320 541 F C -1.434 174.415 175.800 0.082 0.000 1.076 541 F CA -1.938 56.093 58.000 0.051 0.000 0.928 541 F CB 2.274 41.293 39.000 0.032 0.000 1.189 541 F HN 0.329 nan 8.300 nan 0.000 0.465 542 P HA -0.147 nan 4.420 nan 0.000 0.228 542 P C 0.528 177.920 177.300 0.155 0.000 1.151 542 P CA 1.344 64.537 63.100 0.156 0.000 0.770 542 P CB -0.147 31.621 31.700 0.114 0.000 0.786 543 N N -0.216 118.593 118.700 0.182 0.000 2.520 543 N HA -0.003 4.737 4.740 0.000 0.000 0.185 543 N C 1.331 176.934 175.510 0.154 0.000 1.068 543 N CA 1.375 54.507 53.050 0.136 0.000 0.911 543 N CB -0.982 37.562 38.487 0.095 0.000 0.961 543 N HN 0.187 nan 8.380 nan 0.000 0.446 544 G N -2.144 106.789 108.800 0.222 0.000 2.148 544 G HA2 -0.224 3.736 3.960 0.000 0.000 0.203 544 G HA3 -0.224 3.736 3.960 0.000 0.000 0.203 544 G C -0.079 175.086 174.900 0.442 0.000 0.993 544 G CA 0.233 45.502 45.100 0.280 0.000 0.661 544 G HN 0.598 nan 8.290 nan 0.000 0.518 545 T N 0.470 115.221 114.554 0.330 0.000 2.795 545 T HA 0.652 5.002 4.350 0.000 0.000 0.282 545 T C -0.102 174.671 174.700 0.122 0.000 0.980 545 T CA -0.299 61.937 62.100 0.227 0.000 1.012 545 T CB 1.167 70.086 68.868 0.084 0.000 0.936 545 T HN 0.984 nan 8.240 nan 0.000 0.457 546 L N 5.921 126.999 121.223 -0.241 0.000 2.344 546 L HA 0.858 5.198 4.340 0.000 0.000 0.272 546 L C -1.077 175.625 176.870 -0.279 0.000 1.035 546 L CA -0.630 53.917 54.840 -0.489 0.000 0.807 546 L CB 1.414 42.671 42.059 -1.336 0.000 1.237 546 L HN 0.733 nan 8.230 nan 0.000 0.442 547 I N 4.849 125.311 120.570 -0.179 0.000 2.611 547 I HA 0.425 4.595 4.170 0.000 0.000 0.287 547 I C -1.549 174.501 176.117 -0.112 0.000 1.184 547 I CA -0.344 60.887 61.300 -0.115 0.000 1.054 547 I CB 1.218 39.223 38.000 0.009 0.000 1.257 547 I HN 0.587 nan 8.210 nan 0.000 0.435 548 I N 6.859 127.342 120.570 -0.145 0.000 2.359 548 I HA 0.279 4.450 4.170 0.000 0.000 0.294 548 I C 0.539 176.614 176.117 -0.071 0.000 0.987 548 I CA -0.286 60.950 61.300 -0.107 0.000 1.225 548 I CB 1.998 39.916 38.000 -0.137 0.000 1.366 548 I HN 0.673 nan 8.210 nan 0.000 0.466 549 E N 3.675 123.848 120.200 -0.044 0.000 2.011 549 E HA -0.016 4.334 4.350 0.000 0.000 0.191 549 E C 0.657 177.238 176.600 -0.031 0.000 0.980 549 E CA 0.861 57.243 56.400 -0.030 0.000 0.814 549 E CB 0.182 29.872 29.700 -0.017 0.000 0.775 549 E HN 0.464 nan 8.360 nan 0.000 0.454 550 N N 0.874 119.558 118.700 -0.026 0.000 2.609 550 N HA 0.139 4.879 4.740 0.000 0.000 0.234 550 N C -1.285 174.211 175.510 -0.024 0.000 1.001 550 N CA -0.237 52.799 53.050 -0.024 0.000 0.926 550 N CB 0.935 39.412 38.487 -0.018 0.000 1.130 550 N HN -0.123 nan 8.380 nan 0.000 0.510 551 V N 3.609 123.505 119.914 -0.030 0.000 2.572 551 V HA 0.076 4.196 4.120 0.000 0.000 0.291 551 V C 0.131 176.215 176.094 -0.017 0.000 1.039 551 V CA 0.265 62.550 62.300 -0.026 0.000 1.055 551 V CB 0.723 32.524 31.823 -0.037 0.000 0.969 551 V HN 0.650 nan 8.190 nan 0.000 0.482 552 E N 3.891 124.088 120.200 -0.005 0.000 2.331 552 E HA 0.511 4.862 4.350 0.000 0.000 0.275 552 E C 0.239 176.843 176.600 0.007 0.000 0.895 552 E CA -0.977 55.421 56.400 -0.004 0.000 0.753 552 E CB 2.283 31.980 29.700 -0.005 0.000 1.216 552 E HN 0.337 nan 8.360 nan 0.000 0.434 553 R N 2.098 122.599 120.500 0.003 0.000 2.107 553 R HA -0.143 4.197 4.340 0.000 0.000 0.223 553 R C 1.735 178.044 176.300 0.014 0.000 1.138 553 R CA 2.423 58.528 56.100 0.009 0.000 0.900 553 R CB -0.359 29.941 30.300 0.001 0.000 0.814 553 R HN 0.812 nan 8.270 nan 0.000 0.437 554 N N -0.069 118.635 118.700 0.007 0.000 2.430 554 N HA -0.159 4.581 4.740 0.000 0.000 0.186 554 N C 1.655 177.170 175.510 0.007 0.000 1.032 554 N CA 1.115 54.168 53.050 0.005 0.000 0.893 554 N CB -0.142 38.344 38.487 -0.001 0.000 0.957 554 N HN 0.163 nan 8.380 nan 0.000 0.442 555 S N 1.795 117.502 115.700 0.012 0.000 2.335 555 S HA -0.105 4.365 4.470 0.000 0.000 0.217 555 S C 1.137 175.759 174.600 0.036 0.000 1.032 555 S CA 1.364 59.574 58.200 0.016 0.000 0.985 555 S CB -0.116 63.092 63.200 0.014 0.000 0.896 555 S HN 0.571 nan 8.310 nan 0.000 0.445 556 D N -0.606 119.832 120.400 0.063 0.000 2.527 556 D HA 0.070 4.710 4.640 0.000 0.000 0.224 556 D C 0.322 176.738 176.300 0.194 0.000 1.217 556 D CA -0.214 53.874 54.000 0.147 0.000 0.819 556 D CB -0.371 40.523 40.800 0.156 0.000 1.061 556 D HN 0.438 nan 8.370 nan 0.000 0.515 557 Q N 1.501 121.365 119.800 0.106 0.000 2.286 557 Q HA 0.403 4.743 4.340 0.000 0.000 0.265 557 Q C -0.691 175.370 176.000 0.102 0.000 1.080 557 Q CA 0.024 55.889 55.803 0.104 0.000 0.906 557 Q CB 0.463 29.232 28.738 0.052 0.000 1.227 557 Q HN 0.341 nan 8.270 nan 0.000 0.409 558 A N 2.797 125.718 122.820 0.167 0.000 2.438 558 A HA 0.485 4.805 4.320 0.000 0.000 0.301 558 A C -1.072 176.606 177.584 0.156 0.000 1.101 558 A CA -0.469 51.611 52.037 0.073 0.000 0.621 558 A CB 0.905 19.833 19.000 -0.120 0.000 1.350 558 A HN 0.650 nan 8.150 nan 0.000 0.496 559 T N -0.443 114.146 114.554 0.059 0.000 2.781 559 T HA 0.634 4.984 4.350 0.000 0.000 0.305 559 T C -0.715 174.047 174.700 0.103 0.000 1.001 559 T CA -0.117 62.058 62.100 0.125 0.000 0.950 559 T CB -0.301 68.606 68.868 0.064 0.000 0.955 559 T HN 0.385 nan 8.240 nan 0.000 0.471 560 Y N 2.269 122.644 120.300 0.124 0.000 2.326 560 Y HA 0.547 5.097 4.550 0.000 0.000 0.324 560 Y C 1.442 177.469 175.900 0.212 0.000 1.291 560 Y CA -0.696 57.530 58.100 0.210 0.000 1.348 560 Y CB 1.201 39.847 38.460 0.310 0.000 1.294 560 Y HN 0.813 nan 8.280 nan 0.000 0.525 561 T N -1.275 113.476 114.554 0.329 0.000 2.900 561 T HA 0.605 4.955 4.350 0.000 0.000 0.295 561 T C -0.979 173.610 174.700 -0.185 0.000 1.044 561 T CA -1.060 61.074 62.100 0.057 0.000 0.995 561 T CB 0.695 69.562 68.868 -0.002 0.000 1.072 561 T HN 0.873 nan 8.240 nan 0.000 0.473 562 c N 1.067 119.316 118.600 -0.586 0.000 2.408 562 c HA 0.880 5.450 4.570 0.000 0.000 0.321 562 c C -0.345 173.468 174.090 -0.463 0.000 1.245 562 c CA -0.791 54.997 56.329 -0.902 0.000 1.523 562 c CB 0.177 41.600 42.510 -1.811 0.000 2.178 562 c HN 0.838 nan 8.230 nan 0.000 0.488 563 V N 3.638 123.360 119.914 -0.320 0.000 2.435 563 V HA 0.780 4.900 4.120 0.000 0.000 0.290 563 V C 0.552 176.549 176.094 -0.161 0.000 1.030 563 V CA 0.055 62.242 62.300 -0.187 0.000 0.881 563 V CB 1.517 33.273 31.823 -0.111 0.000 0.983 563 V HN 1.289 nan 8.190 nan 0.000 0.445 564 A N 5.813 128.559 122.820 -0.124 0.000 2.319 564 A HA 0.858 5.178 4.320 0.000 0.000 0.310 564 A C -0.479 177.081 177.584 -0.039 0.000 1.152 564 A CA -0.753 51.236 52.037 -0.079 0.000 0.783 564 A CB 0.949 19.903 19.000 -0.077 0.000 1.184 564 A HN 0.903 nan 8.150 nan 0.000 0.474 565 K N 1.768 122.153 120.400 -0.025 0.000 2.464 565 K HA 0.575 4.896 4.320 0.000 0.000 0.253 565 K C -0.658 175.941 176.600 -0.003 0.000 0.933 565 K CA -0.911 55.375 56.287 -0.001 0.000 0.801 565 K CB 1.654 34.150 32.500 -0.007 0.000 1.271 565 K HN 0.601 nan 8.250 nan 0.000 0.430 566 N N 1.374 120.086 118.700 0.020 0.000 2.413 566 N HA 0.042 4.783 4.740 0.000 0.000 0.266 566 N C -0.563 174.947 175.510 -0.000 0.000 1.238 566 N CA -0.493 52.556 53.050 -0.003 0.000 0.972 566 N CB 0.447 38.937 38.487 0.005 0.000 1.210 566 N HN 0.707 nan 8.380 nan 0.000 0.547 567 Q N -0.405 119.383 119.800 -0.020 0.000 2.369 567 Q HA -0.060 4.281 4.340 0.000 0.000 0.295 567 Q C -0.355 175.646 176.000 0.001 0.000 1.075 567 Q CA 0.825 56.618 55.803 -0.016 0.000 0.941 567 Q CB 0.077 28.800 28.738 -0.024 0.000 1.260 567 Q HN 0.836 nan 8.270 nan 0.000 0.417 568 E N 0.399 120.586 120.200 -0.022 0.000 2.393 568 E HA -0.314 4.036 4.350 0.000 0.000 0.169 568 E C 0.444 176.970 176.600 -0.124 0.000 1.591 568 E CA 0.242 56.611 56.400 -0.052 0.000 0.661 568 E CB -2.112 27.572 29.700 -0.027 0.000 1.097 568 E HN 0.999 nan 8.360 nan 0.000 0.356 569 G N 1.289 110.005 108.800 -0.140 0.000 4.890 569 G HA2 -0.404 3.557 3.960 0.000 0.000 0.221 569 G HA3 -0.404 3.557 3.960 0.000 0.000 0.221 569 G C 0.056 174.842 174.900 -0.191 0.000 1.472 569 G CA -0.018 44.934 45.100 -0.245 0.000 0.962 569 G HN 0.545 nan 8.290 nan 0.000 0.671 570 Y N 3.057 123.349 120.300 -0.015 0.000 2.712 570 Y HA 0.397 4.947 4.550 0.000 0.000 0.333 570 Y C 1.222 177.112 175.900 -0.017 0.000 1.225 570 Y CA 0.644 58.737 58.100 -0.011 0.000 1.499 570 Y CB 0.795 39.252 38.460 -0.005 0.000 1.288 570 Y HN 0.865 nan 8.280 nan 0.000 0.575 571 S N 1.046 116.832 115.700 0.143 0.000 2.618 571 S HA 0.977 5.447 4.470 0.000 0.000 0.277 571 S C -1.129 173.498 174.600 0.046 0.000 1.138 571 S CA -0.565 57.671 58.200 0.059 0.000 0.844 571 S CB 2.121 65.329 63.200 0.012 0.000 1.127 571 S HN 1.028 nan 8.310 nan 0.000 0.474 572 A N 1.089 123.906 122.820 -0.004 0.000 2.549 572 A HA 0.848 5.168 4.320 0.000 0.000 0.297 572 A C -0.926 176.604 177.584 -0.090 0.000 1.061 572 A CA -0.896 51.118 52.037 -0.038 0.000 0.690 572 A CB 1.509 20.483 19.000 -0.043 0.000 1.287 572 A HN 0.774 nan 8.150 nan 0.000 0.402 573 R N 0.400 120.836 120.500 -0.107 0.000 2.562 573 R HA 0.645 4.985 4.340 0.000 0.000 0.298 573 R C -0.236 175.969 176.300 -0.160 0.000 0.961 573 R CA -0.464 55.560 56.100 -0.126 0.000 0.881 573 R CB 2.415 32.663 30.300 -0.086 0.000 1.159 573 R HN 0.933 nan 8.270 nan 0.000 0.450 574 G N 0.366 109.052 108.800 -0.191 0.000 2.566 574 G HA2 0.404 4.364 3.960 0.000 0.000 0.311 574 G HA3 0.404 4.364 3.960 0.000 0.000 0.311 574 G C -1.007 173.813 174.900 -0.134 0.000 1.322 574 G CA -0.328 44.663 45.100 -0.182 0.000 0.969 574 G HN 0.416 nan 8.290 nan 0.000 0.490 575 S N 0.877 116.541 115.700 -0.060 0.000 2.566 575 S HA 0.420 4.890 4.470 0.000 0.000 0.324 575 S C -0.592 174.048 174.600 0.068 0.000 1.081 575 S CA -0.503 57.704 58.200 0.012 0.000 1.105 575 S CB 1.337 64.543 63.200 0.009 0.000 0.981 575 S HN 0.623 nan 8.310 nan 0.000 0.464 576 L N 3.130 124.453 121.223 0.167 0.000 2.325 576 L HA 0.532 4.872 4.340 0.000 0.000 0.279 576 L C 0.025 177.015 176.870 0.200 0.000 1.054 576 L CA -0.113 54.849 54.840 0.203 0.000 0.804 576 L CB 1.115 43.373 42.059 0.332 0.000 1.200 576 L HN 0.681 nan 8.230 nan 0.000 0.436 577 E N 3.892 124.172 120.200 0.134 0.000 2.103 577 E HA 0.301 4.651 4.350 0.000 0.000 0.254 577 E C -1.360 175.303 176.600 0.105 0.000 0.940 577 E CA -0.559 55.914 56.400 0.122 0.000 0.771 577 E CB 0.847 30.592 29.700 0.075 0.000 1.153 577 E HN 0.562 nan 8.360 nan 0.000 0.428 578 V N 5.021 125.027 119.914 0.154 0.000 2.397 578 V HA 0.029 4.149 4.120 0.000 0.000 0.262 578 V C 0.281 176.427 176.094 0.086 0.000 1.047 578 V CA 0.171 62.519 62.300 0.079 0.000 1.003 578 V CB 0.717 32.561 31.823 0.035 0.000 1.037 578 V HN 0.660 nan 8.190 nan 0.000 0.480 579 Q N 4.070 123.895 119.800 0.041 0.000 2.278 579 Q HA 0.508 4.848 4.340 0.000 0.000 0.257 579 Q C -1.144 174.865 176.000 0.015 0.000 0.928 579 Q CA -0.451 55.371 55.803 0.032 0.000 0.932 579 Q CB 1.753 30.504 28.738 0.022 0.000 1.221 579 Q HN 0.593 nan 8.270 nan 0.000 0.434 580 V N 6.094 126.019 119.914 0.018 0.000 2.284 580 V HA 0.289 4.409 4.120 0.000 0.000 0.274 580 V C -0.200 175.893 176.094 -0.001 0.000 1.023 580 V CA -0.474 61.828 62.300 0.005 0.000 0.808 580 V CB 0.901 32.731 31.823 0.012 0.000 1.035 580 V HN 0.916 nan 8.190 nan 0.000 0.445 581 M N 3.515 123.110 119.600 -0.009 0.000 2.241 581 M HA 0.356 4.837 4.480 0.000 0.000 0.335 581 M C -0.079 176.209 176.300 -0.020 0.000 1.122 581 M CA -0.126 55.167 55.300 -0.012 0.000 1.164 581 M CB 1.591 34.183 32.600 -0.014 0.000 1.459 581 M HN 0.391 nan 8.290 nan 0.000 0.461 582 V N 4.799 124.701 119.914 -0.021 0.000 2.385 582 V HA 0.327 4.447 4.120 0.000 0.000 0.269 582 V C -0.567 175.504 176.094 -0.037 0.000 1.043 582 V CA -0.598 61.686 62.300 -0.027 0.000 0.906 582 V CB 0.798 32.608 31.823 -0.023 0.000 0.995 582 V HN 0.692 nan 8.190 nan 0.000 0.467 583 L N 10.316 131.511 121.223 -0.047 0.000 2.367 583 L HA 0.481 4.822 4.340 0.000 0.000 0.275 583 L C -1.748 175.085 176.870 -0.063 0.000 1.129 583 L CA -1.382 53.419 54.840 -0.064 0.000 0.839 583 L CB 1.360 43.373 42.059 -0.078 0.000 1.133 583 L HN 0.543 nan 8.230 nan 0.000 0.453 584 P HA 0.012 nan 4.420 nan 0.000 0.268 584 P C -1.310 175.947 177.300 -0.072 0.000 1.204 584 P CA -0.152 62.909 63.100 -0.065 0.000 0.768 584 P CB 0.556 32.214 31.700 -0.071 0.000 0.842 585 R N 4.013 124.472 120.500 -0.068 0.000 2.239 585 R HA 0.417 4.758 4.340 0.000 0.000 0.332 585 R C -0.219 176.026 176.300 -0.091 0.000 0.988 585 R CA -0.822 55.231 56.100 -0.079 0.000 0.859 585 R CB 0.089 30.346 30.300 -0.071 0.000 1.148 585 R HN 0.532 nan 8.270 nan 0.000 0.482 586 I N 5.058 125.562 120.570 -0.110 0.000 2.441 586 I HA 0.141 4.311 4.170 0.000 0.000 0.287 586 I C -0.417 175.574 176.117 -0.209 0.000 1.049 586 I CA -0.589 60.634 61.300 -0.127 0.000 1.381 586 I CB 0.687 38.622 38.000 -0.108 0.000 1.409 586 I HN 0.611 nan 8.210 nan 0.000 0.523 587 I N 10.401 130.867 120.570 -0.174 0.000 2.396 587 I HA 0.436 4.606 4.170 0.000 0.000 0.292 587 I C -2.089 173.818 176.117 -0.351 0.000 0.999 587 I CA -2.437 58.734 61.300 -0.216 0.000 1.310 587 I CB 0.867 38.808 38.000 -0.098 0.000 1.404 587 I HN 0.466 nan 8.210 nan 0.000 0.496 588 P HA 0.146 nan 4.420 nan 0.000 0.271 588 P C -1.145 176.049 177.300 -0.176 0.000 1.238 588 P CA 0.186 62.761 63.100 -0.876 0.000 0.794 588 P CB 0.307 31.581 31.700 -0.709 0.000 0.959 589 F N -0.690 119.347 119.950 0.144 0.000 2.525 589 F HA 0.752 5.279 4.527 0.001 0.000 0.346 589 F C 0.195 176.053 175.800 0.097 0.000 1.072 589 F CA -1.691 56.385 58.000 0.126 0.000 1.033 589 F CB 0.114 39.191 39.000 0.128 0.000 1.324 589 F HN 0.214 nan 8.300 nan 0.000 0.491 590 A N 0.970 123.934 122.820 0.240 0.000 2.550 590 A HA 0.568 4.888 4.320 0.000 0.000 0.282 590 A C -1.481 176.158 177.584 0.092 0.000 1.071 590 A CA -0.472 51.659 52.037 0.157 0.000 0.838 590 A CB -0.278 18.806 19.000 0.141 0.000 1.361 590 A HN 0.389 nan 8.150 nan 0.000 0.408 591 F N 1.679 121.702 119.950 0.122 0.000 2.490 591 F HA 0.266 4.793 4.527 0.000 0.000 0.336 591 F C 1.496 177.318 175.800 0.038 0.000 1.178 591 F CA 0.219 58.244 58.000 0.043 0.000 1.301 591 F CB 0.846 39.851 39.000 0.009 0.000 1.175 591 F HN 0.706 nan 8.300 nan 0.000 0.593 592 E N 1.553 121.917 120.200 0.273 0.000 2.415 592 E HA 0.011 4.361 4.350 0.000 0.000 0.260 592 E C -0.664 176.004 176.600 0.113 0.000 1.016 592 E CA -0.337 56.149 56.400 0.144 0.000 0.924 592 E CB -0.154 29.604 29.700 0.097 0.000 0.961 592 E HN 0.662 nan 8.360 nan 0.000 0.459 593 E N 3.468 123.724 120.200 0.094 0.000 1.775 593 E HA 0.122 4.472 4.350 0.000 0.000 0.266 593 E C 0.406 177.029 176.600 0.037 0.000 1.191 593 E CA -0.233 56.210 56.400 0.072 0.000 1.048 593 E CB 0.571 30.311 29.700 0.066 0.000 1.081 593 E HN 0.736 nan 8.360 nan 0.000 0.434 594 G N 3.882 112.697 108.800 0.025 0.000 2.688 594 G HA2 0.087 4.048 3.960 0.000 0.000 0.214 594 G HA3 0.087 4.048 3.960 0.000 0.000 0.214 594 G C -1.128 173.756 174.900 -0.027 0.000 1.211 594 G CA -0.036 45.065 45.100 0.000 0.000 0.853 594 G HN 0.397 nan 8.290 nan 0.000 0.591 595 P HA 0.503 nan 4.420 nan 0.000 0.286 595 P C -0.301 177.012 177.300 0.021 0.000 1.293 595 P CA -0.436 62.680 63.100 0.026 0.000 0.770 595 P CB 0.304 32.072 31.700 0.115 0.000 1.206 596 A N 0.178 122.990 122.820 -0.014 0.000 2.488 596 A HA 0.162 4.482 4.320 0.000 0.000 0.249 596 A C 0.176 177.773 177.584 0.021 0.000 1.083 596 A CA -0.033 51.976 52.037 -0.048 0.000 0.768 596 A CB -0.536 18.361 19.000 -0.172 0.000 1.017 596 A HN 0.528 nan 8.150 nan 0.000 0.496 597 Q N 2.266 122.075 119.800 0.015 0.000 2.222 597 Q HA 0.460 4.800 4.340 0.000 0.000 0.252 597 Q C -0.288 175.715 176.000 0.005 0.000 0.926 597 Q CA -0.688 55.139 55.803 0.041 0.000 0.899 597 Q CB 1.610 30.366 28.738 0.030 0.000 1.250 597 Q HN 0.730 nan 8.270 nan 0.000 0.441 598 V N 4.076 123.998 119.914 0.014 0.000 2.681 598 V HA 0.203 4.323 4.120 0.000 0.000 0.306 598 V C 0.500 176.578 176.094 -0.026 0.000 1.077 598 V CA 2.026 64.315 62.300 -0.020 0.000 1.224 598 V CB -0.309 31.509 31.823 -0.008 0.000 0.879 598 V HN 1.044 nan 8.190 nan 0.000 0.494 599 G N 4.622 113.392 108.800 -0.050 0.000 2.545 599 G HA2 -0.136 3.824 3.960 0.000 0.000 0.279 599 G HA3 -0.136 3.824 3.960 0.000 0.000 0.279 599 G C -0.432 174.453 174.900 -0.025 0.000 1.131 599 G CA 0.247 45.324 45.100 -0.038 0.000 1.100 599 G HN 0.961 nan 8.290 nan 0.000 0.525 600 Q N -1.390 118.386 119.800 -0.040 0.000 2.587 600 Q HA 0.638 4.978 4.340 0.000 0.000 0.293 600 Q C -1.304 174.720 176.000 0.041 0.000 1.083 600 Q CA -0.999 54.799 55.803 -0.008 0.000 0.792 600 Q CB 2.190 30.899 28.738 -0.047 0.000 1.484 600 Q HN 0.594 nan 8.270 nan 0.000 0.446 601 Y N 1.232 121.492 120.300 -0.067 0.000 2.447 601 Y HA 0.473 5.023 4.550 0.000 0.000 0.325 601 Y C -1.540 174.336 175.900 -0.040 0.000 0.976 601 Y CA -0.399 57.668 58.100 -0.055 0.000 1.280 601 Y CB 0.398 38.837 38.460 -0.036 0.000 1.104 601 Y HN 0.400 nan 8.280 nan 0.000 0.486 602 L N 5.517 126.481 121.223 -0.432 0.000 2.322 602 L HA 0.548 4.888 4.340 0.000 0.000 0.281 602 L C -0.128 176.516 176.870 -0.376 0.000 1.014 602 L CA -0.758 53.901 54.840 -0.301 0.000 0.815 602 L CB 2.101 44.016 42.059 -0.241 0.000 1.247 602 L HN 0.563 nan 8.230 nan 0.000 0.421 603 T N 4.120 118.540 114.554 -0.224 0.000 2.847 603 T HA 0.580 4.931 4.350 0.000 0.000 0.291 603 T C -1.114 173.507 174.700 -0.132 0.000 0.998 603 T CA -0.352 61.616 62.100 -0.221 0.000 0.967 603 T CB 0.745 69.491 68.868 -0.204 0.000 0.954 603 T HN 0.279 nan 8.240 nan 0.000 0.441 604 L N 5.097 126.182 121.223 -0.231 0.000 2.329 604 L HA 0.656 4.996 4.340 0.000 0.000 0.279 604 L C -0.953 175.792 176.870 -0.208 0.000 1.014 604 L CA -0.564 54.044 54.840 -0.386 0.000 0.814 604 L CB 1.726 43.385 42.059 -0.667 0.000 1.257 604 L HN 0.785 nan 8.230 nan 0.000 0.424 605 H N 3.752 122.649 119.070 -0.288 0.000 2.708 605 H HA 0.361 4.917 4.556 0.000 0.000 0.320 605 H C -1.239 174.021 175.328 -0.113 0.000 0.991 605 H CA -0.611 55.372 56.048 -0.108 0.000 1.243 605 H CB 1.155 30.903 29.762 -0.024 0.000 1.446 605 H HN 0.676 nan 8.280 nan 0.000 0.502 606 c N 5.398 123.866 118.600 -0.220 0.000 2.223 606 c HA 0.640 5.210 4.570 0.000 0.000 0.324 606 c C -0.350 173.592 174.090 -0.246 0.000 1.196 606 c CA -0.146 56.100 56.329 -0.139 0.000 1.628 606 c CB -1.542 40.870 42.510 -0.164 0.000 2.229 606 c HN 0.835 nan 8.230 nan 0.000 0.486 607 S N 3.288 118.836 115.700 -0.253 0.000 2.472 607 S HA 0.800 5.270 4.470 0.000 0.000 0.303 607 S C -0.886 173.668 174.600 -0.075 0.000 1.099 607 S CA -0.461 57.620 58.200 -0.198 0.000 1.077 607 S CB 1.592 64.664 63.200 -0.213 0.000 1.031 607 S HN 0.645 nan 8.310 nan 0.000 0.487 608 V N 5.437 125.317 119.914 -0.056 0.000 2.577 608 V HA 0.397 4.517 4.120 0.000 0.000 0.294 608 V C -2.401 173.671 176.094 -0.037 0.000 1.052 608 V CA -1.342 60.927 62.300 -0.051 0.000 0.891 608 V CB 1.716 33.504 31.823 -0.059 0.000 1.017 608 V HN 0.708 nan 8.190 nan 0.000 0.436 609 P HA 0.864 nan 4.420 nan 0.000 0.286 609 P C 0.108 177.388 177.300 -0.034 0.000 1.261 609 P CA 0.073 63.157 63.100 -0.026 0.000 0.821 609 P CB 2.498 34.186 31.700 -0.021 0.000 1.013 610 G N 0.268 109.051 108.800 -0.028 0.000 2.600 610 G HA2 0.357 4.317 3.960 0.000 0.000 0.103 610 G HA3 0.357 4.317 3.960 0.000 0.000 0.103 610 G C -0.356 174.529 174.900 -0.025 0.000 1.090 610 G CA -0.092 44.989 45.100 -0.032 0.000 1.090 610 G HN 0.576 nan 8.290 nan 0.000 0.500 611 G N 1.563 110.346 108.800 -0.028 0.000 2.209 611 G HA2 0.394 4.354 3.960 0.000 0.000 0.271 611 G HA3 0.394 4.354 3.960 0.000 0.000 0.271 611 G C 0.019 174.909 174.900 -0.017 0.000 1.111 611 G CA 0.505 45.592 45.100 -0.022 0.000 1.092 611 G HN 0.473 nan 8.290 nan 0.000 0.416 612 D N 1.720 122.113 120.400 -0.011 0.000 2.383 612 D HA -0.020 4.620 4.640 0.000 0.000 0.233 612 D C 1.647 177.943 176.300 -0.006 0.000 1.233 612 D CA 0.017 54.013 54.000 -0.007 0.000 0.881 612 D CB 0.793 41.591 40.800 -0.004 0.000 1.212 612 D HN 0.171 nan 8.370 nan 0.000 0.467 613 L N -1.480 119.741 121.223 -0.002 0.000 4.467 613 L HA -0.234 4.106 4.340 0.000 0.000 0.053 613 L C -1.925 174.944 176.870 -0.003 0.000 3.826 613 L CA 1.496 56.335 54.840 -0.001 0.000 1.082 613 L CB -3.083 38.976 42.059 0.000 0.000 3.280 613 L HN 0.511 nan 8.230 nan 0.000 0.950 614 P HA 0.379 nan 4.420 nan 0.000 0.271 614 P C -0.793 176.499 177.300 -0.013 0.000 1.226 614 P CA 0.407 63.504 63.100 -0.006 0.000 0.765 614 P CB 0.627 32.324 31.700 -0.005 0.000 0.835 615 L N 3.537 124.752 121.223 -0.014 0.000 2.518 615 L HA 0.324 4.664 4.340 0.000 0.000 0.262 615 L C 0.140 176.994 176.870 -0.026 0.000 0.982 615 L CA -0.235 54.590 54.840 -0.024 0.000 0.873 615 L CB 1.541 43.587 42.059 -0.021 0.000 1.198 615 L HN 0.387 nan 8.230 nan 0.000 0.427 616 N N 5.268 123.944 118.700 -0.039 0.000 2.500 616 N HA 0.436 5.176 4.740 0.000 0.000 0.236 616 N C -1.012 174.453 175.510 -0.074 0.000 1.022 616 N CA -0.408 52.619 53.050 -0.039 0.000 0.935 616 N CB 0.814 39.284 38.487 -0.030 0.000 1.147 616 N HN 0.490 nan 8.380 nan 0.000 0.512 617 I N 2.687 123.217 120.570 -0.068 0.000 2.339 617 I HA 0.289 4.459 4.170 0.000 0.000 0.290 617 I C -0.413 175.637 176.117 -0.111 0.000 0.994 617 I CA -0.652 60.571 61.300 -0.128 0.000 1.191 617 I CB 1.343 39.267 38.000 -0.126 0.000 1.343 617 I HN 0.304 nan 8.210 nan 0.000 0.458 618 D N 4.555 124.863 120.400 -0.154 0.000 2.423 618 D HA 0.424 5.065 4.640 0.000 0.000 0.235 618 D C -1.326 174.860 176.300 -0.190 0.000 1.011 618 D CA -0.281 53.683 54.000 -0.060 0.000 0.963 618 D CB 2.252 43.083 40.800 0.051 0.000 1.349 618 D HN 0.264 nan 8.370 nan 0.000 0.508 619 W N 0.316 121.653 121.300 0.062 0.000 2.666 619 W HA 0.433 5.093 4.660 0.000 0.000 0.334 619 W C -0.022 176.491 176.519 -0.010 0.000 1.051 619 W CA -0.500 56.873 57.345 0.048 0.000 1.224 619 W CB 1.851 31.335 29.460 0.040 0.000 1.405 619 W HN 0.121 nan 8.180 nan 0.000 0.513 620 T N 1.037 115.716 114.554 0.209 0.000 2.921 620 T HA 0.650 5.000 4.350 0.000 0.000 0.297 620 T C -1.385 173.251 174.700 -0.107 0.000 1.013 620 T CA -0.790 61.325 62.100 0.024 0.000 0.990 620 T CB 1.240 70.101 68.868 -0.012 0.000 1.023 620 T HN 0.490 nan 8.240 nan 0.000 0.447 621 L N 2.385 123.470 121.223 -0.232 0.000 2.317 621 L HA 0.508 4.849 4.340 0.000 0.000 0.281 621 L C -0.176 176.590 176.870 -0.173 0.000 1.024 621 L CA -0.737 53.889 54.840 -0.357 0.000 0.810 621 L CB 1.261 43.011 42.059 -0.515 0.000 1.240 621 L HN 0.853 nan 8.230 nan 0.000 0.427 622 D N 3.789 124.121 120.400 -0.113 0.000 3.941 622 D HA 0.079 4.719 4.640 0.000 0.000 0.225 622 D C 0.958 177.217 176.300 -0.068 0.000 1.298 622 D CA 2.000 55.962 54.000 -0.062 0.000 0.835 622 D CB 0.104 40.887 40.800 -0.028 0.000 1.205 622 D HN 0.849 nan 8.370 nan 0.000 0.644 623 G N 2.320 111.079 108.800 -0.068 0.000 2.313 623 G HA2 -0.246 3.714 3.960 0.000 0.000 0.215 623 G HA3 -0.246 3.714 3.960 0.000 0.000 0.215 623 G C 0.325 175.185 174.900 -0.067 0.000 1.023 623 G CA 0.403 45.465 45.100 -0.062 0.000 0.626 623 G HN 0.738 nan 8.290 nan 0.000 0.503 624 Q N -0.679 119.075 119.800 -0.077 0.000 2.831 624 Q HA 0.834 5.174 4.340 0.000 0.000 0.322 624 Q C -1.265 174.692 176.000 -0.072 0.000 0.923 624 Q CA 0.289 56.051 55.803 -0.068 0.000 0.767 624 Q CB 1.666 30.366 28.738 -0.063 0.000 1.469 624 Q HN 1.398 nan 8.270 nan 0.000 0.496 625 A N 1.254 124.044 122.820 -0.050 0.000 2.375 625 A HA 0.593 4.913 4.320 0.000 0.000 0.291 625 A C -0.797 176.775 177.584 -0.020 0.000 1.160 625 A CA -0.752 51.270 52.037 -0.026 0.000 0.747 625 A CB 0.121 19.126 19.000 0.009 0.000 1.170 625 A HN 0.925 nan 8.150 nan 0.000 0.458 626 I N 2.031 122.577 120.570 -0.040 0.000 2.750 626 I HA -0.214 3.957 4.170 0.000 0.000 0.126 626 I C 0.025 176.133 176.117 -0.016 0.000 0.884 626 I CA 0.993 62.274 61.300 -0.031 0.000 2.785 626 I CB 0.211 38.217 38.000 0.009 0.000 0.570 626 I HN 0.623 nan 8.210 nan 0.000 0.352 627 S N 5.494 121.175 115.700 -0.031 0.000 2.422 627 S HA 0.282 4.752 4.470 0.000 0.000 0.298 627 S C 0.995 175.588 174.600 -0.012 0.000 1.118 627 S CA -0.367 57.823 58.200 -0.017 0.000 1.083 627 S CB 1.332 64.519 63.200 -0.023 0.000 0.971 627 S HN 0.767 nan 8.310 nan 0.000 0.478 628 E N 3.121 123.323 120.200 0.003 0.000 2.147 628 E HA -0.210 4.140 4.350 0.000 0.000 0.199 628 E C 0.970 177.578 176.600 0.013 0.000 1.005 628 E CA 1.775 58.182 56.400 0.012 0.000 0.810 628 E CB -0.008 29.704 29.700 0.019 0.000 0.736 628 E HN 0.664 nan 8.360 nan 0.000 0.460 629 D N 0.386 120.791 120.400 0.008 0.000 2.191 629 D HA -0.207 4.433 4.640 0.000 0.000 0.195 629 D C 1.729 178.038 176.300 0.014 0.000 1.003 629 D CA 0.730 54.737 54.000 0.010 0.000 0.867 629 D CB -0.270 40.532 40.800 0.004 0.000 0.926 629 D HN 0.084 nan 8.370 nan 0.000 0.450 630 L N -0.184 121.037 121.223 -0.002 0.000 2.127 630 L HA 0.016 4.356 4.340 0.000 0.000 0.211 630 L C 1.134 178.038 176.870 0.056 0.000 1.089 630 L CA 1.825 56.658 54.840 -0.013 0.000 0.757 630 L CB -0.379 41.623 42.059 -0.096 0.000 0.899 630 L HN 0.257 nan 8.230 nan 0.000 0.434 631 G N -0.009 108.834 108.800 0.072 0.000 2.842 631 G HA2 -0.151 3.809 3.960 0.000 0.000 0.242 631 G HA3 -0.151 3.809 3.960 0.000 0.000 0.242 631 G C -0.358 174.667 174.900 0.207 0.000 1.135 631 G CA -0.032 45.149 45.100 0.135 0.000 1.048 631 G HN 0.250 nan 8.290 nan 0.000 0.530 632 I N 0.875 121.511 120.570 0.109 0.000 2.534 632 I HA 0.303 4.473 4.170 0.000 0.000 0.286 632 I C -0.033 176.102 176.117 0.031 0.000 1.094 632 I CA -0.746 60.609 61.300 0.093 0.000 1.055 632 I CB 2.337 40.380 38.000 0.072 0.000 1.225 632 I HN 0.115 nan 8.210 nan 0.000 0.435 633 T N 3.245 117.805 114.554 0.011 0.000 2.762 633 T HA 0.154 4.505 4.350 0.000 0.000 0.303 633 T C 0.162 174.839 174.700 -0.039 0.000 0.977 633 T CA -0.114 61.987 62.100 0.002 0.000 0.961 633 T CB 0.704 69.585 68.868 0.021 0.000 0.944 633 T HN 0.540 nan 8.240 nan 0.000 0.481 634 T N 2.869 117.412 114.554 -0.018 0.000 2.733 634 T HA 0.490 4.840 4.350 0.000 0.000 0.294 634 T C -0.061 174.677 174.700 0.064 0.000 0.956 634 T CA -0.393 61.702 62.100 -0.008 0.000 0.987 634 T CB 0.432 69.342 68.868 0.070 0.000 0.920 634 T HN 0.537 nan 8.240 nan 0.000 0.470 635 S N 4.217 119.964 115.700 0.078 0.000 2.600 635 S HA 0.727 5.197 4.470 0.000 0.000 0.300 635 S C -0.341 174.346 174.600 0.146 0.000 1.087 635 S CA -0.934 57.324 58.200 0.097 0.000 0.965 635 S CB 1.148 64.389 63.200 0.068 0.000 1.089 635 S HN 0.803 nan 8.310 nan 0.000 0.496 636 R N 0.810 121.382 120.500 0.120 0.000 2.691 636 R HA 0.750 5.090 4.340 0.000 0.000 0.259 636 R C -1.157 175.208 176.300 0.107 0.000 1.048 636 R CA -0.911 55.263 56.100 0.123 0.000 1.086 636 R CB 1.419 31.775 30.300 0.094 0.000 1.166 636 R HN 0.456 nan 8.270 nan 0.000 0.526 637 V N 0.747 120.728 119.914 0.111 0.000 2.680 637 V HA 0.239 4.359 4.120 0.000 0.000 0.309 637 V C 1.408 177.546 176.094 0.074 0.000 1.052 637 V CA -0.301 62.059 62.300 0.099 0.000 0.908 637 V CB 1.532 33.441 31.823 0.145 0.000 1.001 637 V HN 1.071 nan 8.190 nan 0.000 0.431 638 G N 3.180 112.014 108.800 0.057 0.000 2.863 638 G HA2 -0.349 3.611 3.960 0.000 0.000 0.248 638 G HA3 -0.349 3.611 3.960 0.000 0.000 0.248 638 G C 1.013 175.937 174.900 0.040 0.000 1.155 638 G CA 1.463 46.589 45.100 0.044 0.000 0.752 638 G HN 0.623 nan 8.290 nan 0.000 0.666 639 R N 0.851 121.375 120.500 0.041 0.000 4.680 639 R HA 0.209 4.550 4.340 0.000 0.000 0.222 639 R C 0.363 176.681 176.300 0.031 0.000 1.803 639 R CA -0.333 55.786 56.100 0.032 0.000 1.560 639 R CB -0.627 29.690 30.300 0.029 0.000 1.412 639 R HN 0.300 nan 8.270 nan 0.000 0.815 640 R N -1.169 119.350 120.500 0.033 0.000 3.251 640 R HA -0.180 4.161 4.340 0.000 0.000 0.249 640 R C 0.141 176.459 176.300 0.031 0.000 0.949 640 R CA 1.055 57.172 56.100 0.029 0.000 0.645 640 R CB -2.552 27.755 30.300 0.011 0.000 1.065 640 R HN 0.593 nan 8.270 nan 0.000 0.452 641 G N -0.924 107.912 108.800 0.061 0.000 2.557 641 G HA2 0.600 4.561 3.960 0.000 0.000 0.302 641 G HA3 0.600 4.561 3.960 0.000 0.000 0.302 641 G C -0.797 174.173 174.900 0.116 0.000 1.311 641 G CA 0.135 45.283 45.100 0.080 0.000 1.030 641 G HN 0.245 nan 8.290 nan 0.000 0.509 642 S N -1.708 114.087 115.700 0.158 0.000 2.536 642 S HA 0.569 5.040 4.470 0.000 0.000 0.271 642 S C -1.096 173.730 174.600 0.377 0.000 1.134 642 S CA -0.448 57.907 58.200 0.258 0.000 0.897 642 S CB 1.514 64.876 63.200 0.270 0.000 1.094 642 S HN 1.543 nan 8.310 nan 0.000 0.473 643 V N 2.777 122.877 119.914 0.311 0.000 2.447 643 V HA 0.712 4.832 4.120 0.000 0.000 0.292 643 V C -0.887 175.209 176.094 0.004 0.000 1.021 643 V CA -0.920 61.495 62.300 0.192 0.000 0.850 643 V CB 1.101 32.988 31.823 0.106 0.000 1.005 643 V HN 0.764 nan 8.190 nan 0.000 0.426 644 L N 5.921 126.996 121.223 -0.247 0.000 2.261 644 L HA 0.743 5.083 4.340 0.000 0.000 0.289 644 L C 0.568 177.244 176.870 -0.322 0.000 1.059 644 L CA 0.610 55.129 54.840 -0.535 0.000 0.816 644 L CB 0.985 42.273 42.059 -1.284 0.000 1.191 644 L HN 0.985 nan 8.230 nan 0.000 0.431 645 T N 3.446 117.874 114.554 -0.211 0.000 2.795 645 T HA 0.648 4.998 4.350 0.000 0.000 0.282 645 T C 0.067 174.670 174.700 -0.161 0.000 0.980 645 T CA -0.443 61.535 62.100 -0.203 0.000 1.012 645 T CB 1.164 69.974 68.868 -0.096 0.000 0.936 645 T HN 0.472 nan 8.240 nan 0.000 0.457 646 I N 3.182 123.615 120.570 -0.227 0.000 2.537 646 I HA 0.224 4.395 4.170 0.000 0.000 0.276 646 I C 0.423 176.447 176.117 -0.155 0.000 1.063 646 I CA -0.765 60.460 61.300 -0.125 0.000 1.144 646 I CB 0.999 38.949 38.000 -0.084 0.000 1.252 646 I HN 0.807 nan 8.210 nan 0.000 0.480 647 E N 5.808 126.013 120.200 0.008 0.000 2.349 647 E HA 0.598 4.948 4.350 0.000 0.000 0.265 647 E C 0.366 176.973 176.600 0.011 0.000 1.064 647 E CA -0.499 55.998 56.400 0.162 0.000 0.886 647 E CB 1.371 31.235 29.700 0.274 0.000 1.036 647 E HN 0.644 nan 8.360 nan 0.000 0.413 648 A N 1.550 124.371 122.820 0.002 0.000 2.475 648 A HA -0.126 4.194 4.320 0.000 0.000 0.295 648 A C 0.152 177.604 177.584 -0.219 0.000 1.457 648 A CA 0.401 52.395 52.037 -0.072 0.000 0.734 648 A CB -2.297 16.678 19.000 -0.042 0.000 1.118 648 A HN 0.458 nan 8.150 nan 0.000 0.400 649 V N 1.441 121.210 119.914 -0.242 0.000 2.617 649 V HA 0.233 4.353 4.120 0.000 0.000 0.304 649 V C 0.863 176.762 176.094 -0.324 0.000 1.040 649 V CA 1.143 63.210 62.300 -0.388 0.000 1.149 649 V CB 0.679 32.352 31.823 -0.249 0.000 0.914 649 V HN 0.759 nan 8.190 nan 0.000 0.487 650 E N 2.421 122.369 120.200 -0.420 0.000 2.359 650 E HA 0.636 4.986 4.350 0.000 0.000 0.266 650 E C 0.893 177.504 176.600 0.018 0.000 0.920 650 E CA -0.383 55.950 56.400 -0.111 0.000 0.788 650 E CB 1.775 31.482 29.700 0.012 0.000 1.279 650 E HN 0.562 nan 8.360 nan 0.000 0.438 651 A N 0.761 123.585 122.820 0.007 0.000 1.940 651 A HA -0.192 4.128 4.320 0.000 0.000 0.219 651 A C 1.961 179.566 177.584 0.034 0.000 1.176 651 A CA 2.042 54.067 52.037 -0.019 0.000 0.631 651 A CB -0.619 18.339 19.000 -0.070 0.000 0.814 651 A HN 0.475 nan 8.150 nan 0.000 0.446 652 S N -0.511 115.245 115.700 0.093 0.000 2.419 652 S HA -0.174 4.296 4.470 0.000 0.000 0.235 652 S C 1.493 176.145 174.600 0.086 0.000 1.019 652 S CA 1.600 59.844 58.200 0.074 0.000 0.982 652 S CB -0.518 62.717 63.200 0.058 0.000 0.789 652 S HN 0.795 nan 8.310 nan 0.000 0.490 653 H N 1.088 120.175 119.070 0.029 0.000 2.556 653 H HA 0.463 5.019 4.556 0.000 0.000 0.268 653 H C 0.856 176.256 175.328 0.119 0.000 0.996 653 H CA 0.092 56.201 56.048 0.102 0.000 1.157 653 H CB -0.352 29.427 29.762 0.028 0.000 1.355 653 H HN 0.364 nan 8.280 nan 0.000 0.597 654 A N 0.593 123.494 122.820 0.136 0.000 2.425 654 A HA 0.559 4.880 4.320 0.000 0.000 0.249 654 A C 1.094 178.753 177.584 0.124 0.000 1.084 654 A CA 0.677 52.754 52.037 0.067 0.000 0.781 654 A CB -0.075 18.911 19.000 -0.024 0.000 1.019 654 A HN 0.552 nan 8.150 nan 0.000 0.490 655 G N 1.465 110.354 108.800 0.150 0.000 2.320 655 G HA2 0.148 4.109 3.960 0.000 0.000 0.274 655 G HA3 0.148 4.109 3.960 0.000 0.000 0.274 655 G C -1.283 173.776 174.900 0.265 0.000 1.324 655 G CA -0.797 44.400 45.100 0.162 0.000 0.957 655 G HN 0.842 nan 8.290 nan 0.000 0.481 656 N N 0.289 119.110 118.700 0.202 0.000 2.408 656 N HA 0.626 5.366 4.740 0.000 0.000 0.257 656 N C -1.046 174.622 175.510 0.265 0.000 1.064 656 N CA 0.084 53.263 53.050 0.215 0.000 0.952 656 N CB 0.652 39.199 38.487 0.101 0.000 1.093 656 N HN 0.323 nan 8.380 nan 0.000 0.490 657 F N 0.718 120.761 119.950 0.155 0.000 2.422 657 F HA 0.513 5.040 4.527 0.000 0.000 0.333 657 F C 0.581 176.531 175.800 0.251 0.000 1.095 657 F CA -0.326 57.809 58.000 0.225 0.000 1.038 657 F CB 1.729 40.914 39.000 0.308 0.000 1.156 657 F HN 0.166 nan 8.300 nan 0.000 0.483 658 T N 2.110 116.896 114.554 0.386 0.000 3.071 658 T HA 0.150 4.500 4.350 0.000 0.000 0.311 658 T C -1.407 173.486 174.700 0.320 0.000 1.042 658 T CA -0.551 61.738 62.100 0.316 0.000 1.028 658 T CB 1.144 70.094 68.868 0.135 0.000 1.068 658 T HN 0.715 nan 8.240 nan 0.000 0.451 659 c N 4.854 123.596 118.600 0.235 0.000 2.416 659 c HA 0.444 5.014 4.570 0.000 0.000 0.355 659 c C 0.249 174.290 174.090 -0.083 0.000 1.211 659 c CA -0.231 55.904 56.329 -0.323 0.000 1.699 659 c CB -1.882 40.387 42.510 -0.402 0.000 2.310 659 c HN 0.976 nan 8.230 nan 0.000 0.539 660 H N 4.460 123.403 119.070 -0.211 0.000 2.685 660 H HA 0.589 5.145 4.556 0.000 0.000 0.286 660 H C -0.186 175.062 175.328 -0.133 0.000 1.102 660 H CA 0.322 56.306 56.048 -0.107 0.000 1.254 660 H CB 0.740 30.466 29.762 -0.061 0.000 1.397 660 H HN 0.852 nan 8.280 nan 0.000 0.473 661 A N 6.305 128.906 122.820 -0.365 0.000 2.319 661 A HA 0.609 4.929 4.320 0.000 0.000 0.310 661 A C -0.554 176.863 177.584 -0.279 0.000 1.152 661 A CA -1.016 50.846 52.037 -0.291 0.000 0.783 661 A CB 0.644 19.525 19.000 -0.199 0.000 1.184 661 A HN 0.858 nan 8.150 nan 0.000 0.474 662 R N 2.200 122.563 120.500 -0.230 0.000 2.803 662 R HA 0.732 5.073 4.340 0.000 0.000 0.276 662 R C -1.018 175.239 176.300 -0.072 0.000 0.978 662 R CA -0.857 55.164 56.100 -0.131 0.000 0.939 662 R CB 1.725 31.967 30.300 -0.096 0.000 1.179 662 R HN 0.624 nan 8.270 nan 0.000 0.472 663 N N 2.705 121.378 118.700 -0.045 0.000 2.336 663 N HA 0.092 4.832 4.740 0.000 0.000 0.290 663 N C -0.939 174.560 175.510 -0.019 0.000 1.058 663 N CA -0.737 52.292 53.050 -0.034 0.000 0.865 663 N CB 1.890 40.352 38.487 -0.042 0.000 1.581 663 N HN 0.615 nan 8.380 nan 0.000 0.480 664 L N 3.736 124.952 121.223 -0.011 0.000 3.163 664 L HA -0.147 4.193 4.340 0.000 0.000 0.327 664 L C 0.861 177.727 176.870 -0.007 0.000 1.030 664 L CA 1.936 56.773 54.840 -0.004 0.000 0.897 664 L CB -0.764 41.292 42.059 -0.005 0.000 1.389 664 L HN 0.878 nan 8.230 nan 0.000 0.530 665 A N 2.412 125.234 122.820 0.002 0.000 3.115 665 A HA 0.284 4.604 4.320 0.000 0.000 0.263 665 A C 0.774 178.340 177.584 -0.030 0.000 1.391 665 A CA 0.883 52.917 52.037 -0.005 0.000 0.778 665 A CB -2.204 16.788 19.000 -0.013 0.000 1.034 665 A HN 2.314 nan 8.150 nan 0.000 0.551 666 G N -1.472 107.315 108.800 -0.022 0.000 2.361 666 G HA2 0.767 4.727 3.960 0.000 0.000 0.299 666 G HA3 0.767 4.727 3.960 0.000 0.000 0.299 666 G C -1.347 173.517 174.900 -0.061 0.000 1.544 666 G CA 0.347 45.376 45.100 -0.117 0.000 0.860 666 G HN 2.330 nan 8.290 nan 0.000 0.610 667 H N -1.366 117.670 119.070 -0.056 0.000 3.149 667 H HA 0.775 5.331 4.556 0.000 0.000 0.334 667 H C -0.837 174.442 175.328 -0.081 0.000 1.000 667 H CA -0.888 55.101 56.048 -0.099 0.000 1.415 667 H CB 1.604 31.327 29.762 -0.064 0.000 1.819 667 H HN 0.432 nan 8.280 nan 0.000 0.486 668 Q N 2.339 122.105 119.800 -0.056 0.000 2.413 668 Q HA 0.397 4.737 4.340 0.000 0.000 0.276 668 Q C -0.944 175.045 176.000 -0.018 0.000 1.099 668 Q CA -0.906 54.880 55.803 -0.029 0.000 0.814 668 Q CB 3.478 32.178 28.738 -0.064 0.000 1.379 668 Q HN 0.953 nan 8.270 nan 0.000 0.436 669 Q N 0.241 120.080 119.800 0.064 0.000 2.482 669 Q HA 0.732 5.072 4.340 0.000 0.000 0.286 669 Q C -1.642 174.461 176.000 0.172 0.000 1.007 669 Q CA -0.856 55.016 55.803 0.116 0.000 0.801 669 Q CB 2.064 30.944 28.738 0.237 0.000 1.455 669 Q HN 0.412 nan 8.270 nan 0.000 0.398 670 F N 0.482 120.401 119.950 -0.052 0.000 2.581 670 F HA 0.606 5.133 4.527 0.000 0.000 0.311 670 F C -1.405 174.394 175.800 -0.002 0.000 1.113 670 F CA -0.230 57.678 58.000 -0.154 0.000 0.935 670 F CB 2.693 41.382 39.000 -0.518 0.000 1.232 670 F HN 0.664 nan 8.300 nan 0.000 0.445 671 T N 3.344 117.439 114.554 -0.765 0.000 2.823 671 T HA 0.660 5.011 4.350 0.000 0.000 0.279 671 T C -0.805 173.573 174.700 -0.536 0.000 0.998 671 T CA -0.545 61.325 62.100 -0.384 0.000 0.994 671 T CB 1.635 70.376 68.868 -0.212 0.000 0.960 671 T HN 0.572 nan 8.240 nan 0.000 0.448 672 T N 4.535 119.076 114.554 -0.021 0.000 2.886 672 T HA 0.583 4.933 4.350 0.000 0.000 0.292 672 T C -2.723 172.132 174.700 0.258 0.000 1.012 672 T CA -1.353 60.811 62.100 0.107 0.000 0.982 672 T CB 1.887 70.912 68.868 0.262 0.000 1.018 672 T HN 0.296 nan 8.240 nan 0.000 0.451 673 P HA 0.479 nan 4.420 nan 0.000 0.284 673 P C -1.117 176.310 177.300 0.211 0.000 1.253 673 P CA -0.671 62.553 63.100 0.206 0.000 0.800 673 P CB 0.784 32.566 31.700 0.137 0.000 0.961 674 L N 3.165 124.452 121.223 0.108 0.000 2.388 674 L HA 0.424 4.764 4.340 0.000 0.000 0.267 674 L C -0.844 175.973 176.870 -0.088 0.000 0.995 674 L CA -0.566 54.188 54.840 -0.143 0.000 0.864 674 L CB 0.553 42.385 42.059 -0.379 0.000 1.216 674 L HN 0.195 nan 8.230 nan 0.000 0.430 675 N N 3.035 121.692 118.700 -0.071 0.000 2.434 675 N HA 0.294 5.034 4.740 0.000 0.000 0.272 675 N C -0.788 174.674 175.510 -0.080 0.000 1.040 675 N CA -0.178 52.840 53.050 -0.053 0.000 0.956 675 N CB 2.395 40.925 38.487 0.072 0.000 1.108 675 N HN 0.245 nan 8.380 nan 0.000 0.481 676 V N 4.967 124.795 119.914 -0.142 0.000 2.257 676 V HA 0.357 4.477 4.120 0.000 0.000 0.269 676 V C -1.033 175.012 176.094 -0.082 0.000 1.040 676 V CA -0.393 61.852 62.300 -0.092 0.000 0.813 676 V CB -0.894 30.875 31.823 -0.090 0.000 1.065 676 V HN 0.541 nan 8.190 nan 0.000 0.457 677 Y N 3.754 124.107 120.300 0.087 0.000 2.340 677 Y HA 0.636 5.187 4.550 0.000 0.000 0.327 677 Y C 0.456 176.429 175.900 0.120 0.000 1.321 677 Y CA -0.165 58.048 58.100 0.188 0.000 1.433 677 Y CB 1.630 40.144 38.460 0.089 0.000 1.373 677 Y HN 0.325 nan 8.280 nan 0.000 0.538 678 V N 3.063 123.186 119.914 0.347 0.000 2.760 678 V HA 0.369 4.489 4.120 0.000 0.000 0.309 678 V C -2.323 173.850 176.094 0.131 0.000 1.077 678 V CA -2.011 60.398 62.300 0.181 0.000 0.910 678 V CB 2.125 34.039 31.823 0.151 0.000 1.008 678 V HN 0.564 nan 8.190 nan 0.000 0.424 679 P HA 0.381 nan 4.420 nan 0.000 0.277 679 P C -2.938 174.340 177.300 -0.037 0.000 1.271 679 P CA -2.149 60.951 63.100 -0.000 0.000 0.795 679 P CB 0.038 31.730 31.700 -0.014 0.000 1.101 680 P HA 0.264 nan 4.420 nan 0.000 0.276 680 P C -0.151 177.018 177.300 -0.218 0.000 1.235 680 P CA 0.312 63.297 63.100 -0.192 0.000 0.772 680 P CB 0.425 31.948 31.700 -0.295 0.000 0.871 681 R N 3.191 123.571 120.500 -0.200 0.000 2.740 681 R HA 0.388 4.728 4.340 0.000 0.000 0.282 681 R C -0.974 175.211 176.300 -0.191 0.000 0.969 681 R CA -0.839 55.176 56.100 -0.141 0.000 0.918 681 R CB 0.865 31.154 30.300 -0.019 0.000 1.175 681 R HN 0.374 nan 8.270 nan 0.000 0.464 682 W N 4.354 125.650 121.300 -0.006 0.000 2.218 682 W HA 0.237 4.897 4.660 0.000 0.000 0.326 682 W C 1.332 177.853 176.519 0.004 0.000 1.276 682 W CA -0.410 56.931 57.345 -0.007 0.000 1.210 682 W CB 0.602 30.053 29.460 -0.015 0.000 1.143 682 W HN 0.600 nan 8.180 nan 0.000 0.563 683 I N 0.480 121.200 120.570 0.250 0.000 4.327 683 I HA 0.380 4.550 4.170 0.000 0.000 0.331 683 I C -0.204 176.012 176.117 0.164 0.000 1.348 683 I CA -0.052 61.346 61.300 0.164 0.000 1.152 683 I CB 0.452 38.513 38.000 0.101 0.000 1.151 683 I HN 0.214 nan 8.210 nan 0.000 0.410 684 L N 3.271 124.632 121.223 0.230 0.000 2.588 684 L HA 0.389 4.729 4.340 0.000 0.000 0.256 684 L C -0.708 176.278 176.870 0.194 0.000 1.083 684 L CA -0.420 54.522 54.840 0.169 0.000 0.909 684 L CB 1.076 43.220 42.059 0.142 0.000 1.121 684 L HN 0.381 nan 8.230 nan 0.000 0.470 685 E N 4.645 124.861 120.200 0.028 0.000 2.249 685 E HA 0.641 4.991 4.350 0.000 0.000 0.280 685 E C -2.450 174.027 176.600 -0.204 0.000 1.016 685 E CA -1.864 54.343 56.400 -0.321 0.000 0.830 685 E CB 0.814 29.840 29.700 -1.123 0.000 1.081 685 E HN 0.401 nan 8.360 nan 0.000 0.395 686 P HA -0.020 nan 4.420 nan 0.000 0.271 686 P C -0.444 176.845 177.300 -0.017 0.000 1.233 686 P CA -0.230 62.881 63.100 0.018 0.000 0.789 686 P CB 0.534 32.320 31.700 0.144 0.000 0.951 687 T N -2.159 112.408 114.554 0.021 0.000 2.770 687 T HA 0.209 4.559 4.350 0.000 0.000 0.297 687 T C -0.092 174.598 174.700 -0.016 0.000 0.997 687 T CA -0.840 61.252 62.100 -0.013 0.000 0.949 687 T CB 0.120 68.978 68.868 -0.016 0.000 0.941 687 T HN 0.242 nan 8.240 nan 0.000 0.457 688 D N 2.279 122.663 120.400 -0.028 0.000 2.772 688 D HA 0.132 4.772 4.640 0.000 0.000 0.227 688 D C -0.003 176.255 176.300 -0.071 0.000 1.114 688 D CA 1.082 55.066 54.000 -0.028 0.000 0.832 688 D CB 0.391 41.167 40.800 -0.040 0.000 1.154 688 D HN 0.658 nan 8.370 nan 0.000 0.514 689 K N 1.551 121.893 120.400 -0.097 0.000 2.502 689 K HA 0.775 5.095 4.320 0.000 0.000 0.257 689 K C -1.946 174.481 176.600 -0.289 0.000 0.938 689 K CA -0.878 55.250 56.287 -0.264 0.000 0.819 689 K CB 1.925 34.162 32.500 -0.438 0.000 1.333 689 K HN 0.212 nan 8.250 nan 0.000 0.434 690 A N 3.872 126.480 122.820 -0.353 0.000 2.332 690 A HA 0.707 5.027 4.320 0.000 0.000 0.300 690 A C -1.330 176.073 177.584 -0.302 0.000 1.153 690 A CA -0.601 51.296 52.037 -0.233 0.000 0.764 690 A CB 0.011 18.958 19.000 -0.088 0.000 1.174 690 A HN 0.494 nan 8.150 nan 0.000 0.467 691 F N 1.409 121.357 119.950 -0.003 0.000 2.375 691 F HA 0.658 5.186 4.527 0.000 0.000 0.317 691 F C 1.104 176.896 175.800 -0.012 0.000 1.124 691 F CA 0.081 58.070 58.000 -0.018 0.000 1.050 691 F CB 1.136 40.113 39.000 -0.038 0.000 1.314 691 F HN 0.657 nan 8.300 nan 0.000 0.511 692 A N 0.129 123.074 122.820 0.208 0.000 2.302 692 A HA 0.412 4.732 4.320 0.000 0.000 0.285 692 A C -0.693 176.938 177.584 0.080 0.000 1.105 692 A CA -0.826 51.273 52.037 0.103 0.000 0.816 692 A CB 0.129 19.171 19.000 0.070 0.000 1.067 692 A HN 0.758 nan 8.150 nan 0.000 0.489 693 Q N 0.834 120.663 119.800 0.048 0.000 2.320 693 Q HA 0.338 4.678 4.340 0.000 0.000 0.311 693 Q C 0.793 176.797 176.000 0.008 0.000 1.083 693 Q CA 0.448 56.267 55.803 0.028 0.000 1.001 693 Q CB -0.304 28.445 28.738 0.019 0.000 1.074 693 Q HN 2.043 nan 8.270 nan 0.000 0.379 694 G N 2.703 111.497 108.800 -0.009 0.000 2.168 694 G HA2 -0.307 3.653 3.960 0.000 0.000 0.257 694 G HA3 -0.307 3.653 3.960 0.000 0.000 0.257 694 G C -0.103 174.764 174.900 -0.055 0.000 0.997 694 G CA 0.244 45.324 45.100 -0.034 0.000 0.708 694 G HN 0.668 nan 8.290 nan 0.000 0.520 695 S N 0.423 116.087 115.700 -0.061 0.000 2.601 695 S HA 0.429 4.900 4.470 0.000 0.000 0.271 695 S C 0.048 174.513 174.600 -0.224 0.000 1.305 695 S CA -0.544 57.598 58.200 -0.096 0.000 1.022 695 S CB 0.980 64.163 63.200 -0.029 0.000 0.940 695 S HN 0.289 nan 8.310 nan 0.000 0.525 696 D N 2.264 122.522 120.400 -0.237 0.000 2.338 696 D HA 0.336 4.976 4.640 0.000 0.000 0.255 696 D C -0.131 175.823 176.300 -0.577 0.000 1.237 696 D CA 0.041 53.840 54.000 -0.335 0.000 0.883 696 D CB 0.680 41.340 40.800 -0.233 0.000 1.087 696 D HN 0.544 nan 8.370 nan 0.000 0.485 697 A N 3.829 126.169 122.820 -0.800 0.000 2.350 697 A HA 0.186 4.507 4.320 0.000 0.000 0.293 697 A C 0.338 177.449 177.584 -0.789 0.000 1.231 697 A CA -0.357 50.897 52.037 -1.305 0.000 0.883 697 A CB 0.117 18.347 19.000 -1.283 0.000 1.133 697 A HN 0.344 nan 8.150 nan 0.000 0.533 698 K N 2.423 122.509 120.400 -0.524 0.000 2.414 698 K HA 0.411 4.731 4.320 0.000 0.000 0.251 698 K C -1.118 175.473 176.600 -0.015 0.000 1.037 698 K CA -0.277 55.832 56.287 -0.296 0.000 0.980 698 K CB 1.792 34.161 32.500 -0.220 0.000 1.280 698 K HN 0.424 nan 8.250 nan 0.000 0.451 699 V N 3.276 123.173 119.914 -0.028 0.000 2.378 699 V HA 0.259 4.379 4.120 0.000 0.000 0.288 699 V C -0.889 175.300 176.094 0.158 0.000 1.016 699 V CA -0.495 61.863 62.300 0.096 0.000 0.840 699 V CB 1.247 33.132 31.823 0.103 0.000 0.994 699 V HN 0.628 nan 8.190 nan 0.000 0.431 700 E N 5.893 126.220 120.200 0.210 0.000 2.130 700 E HA 0.358 4.708 4.350 0.000 0.000 0.284 700 E C -0.759 176.038 176.600 0.328 0.000 1.018 700 E CA -0.313 56.241 56.400 0.257 0.000 0.817 700 E CB 1.563 31.369 29.700 0.176 0.000 1.078 700 E HN 0.793 nan 8.360 nan 0.000 0.396 701 c N 4.738 123.599 118.600 0.436 0.000 2.322 701 c HA 0.602 5.172 4.570 0.000 0.000 0.324 701 c C -0.671 173.584 174.090 0.274 0.000 1.284 701 c CA -0.432 56.103 56.329 0.344 0.000 1.606 701 c CB -0.461 42.170 42.510 0.201 0.000 2.251 701 c HN 0.831 nan 8.230 nan 0.000 0.502 702 K N 4.171 124.738 120.400 0.278 0.000 2.571 702 K HA 0.678 4.998 4.320 0.000 0.000 0.252 702 K C -1.043 175.647 176.600 0.150 0.000 0.956 702 K CA -0.139 56.252 56.287 0.174 0.000 0.822 702 K CB 1.769 34.357 32.500 0.146 0.000 1.286 702 K HN 0.954 nan 8.250 nan 0.000 0.439 703 A N 2.471 125.282 122.820 -0.014 0.000 2.387 703 A HA 0.730 5.050 4.320 0.000 0.000 0.298 703 A C -1.559 175.980 177.584 -0.075 0.000 1.165 703 A CA -0.525 51.434 52.037 -0.132 0.000 0.814 703 A CB 1.618 20.334 19.000 -0.474 0.000 1.357 703 A HN 0.673 nan 8.150 nan 0.000 0.443 704 D N -1.660 118.692 120.400 -0.079 0.000 2.855 704 D HA 0.612 5.252 4.640 0.000 0.000 0.241 704 D C -0.294 175.990 176.300 -0.027 0.000 1.277 704 D CA 0.793 54.778 54.000 -0.024 0.000 0.918 704 D CB 1.827 42.633 40.800 0.011 0.000 1.462 704 D HN 0.994 nan 8.370 nan 0.000 0.559 705 G N 1.111 109.917 108.800 0.011 0.000 2.576 705 G HA2 0.458 4.419 3.960 0.000 0.000 0.290 705 G HA3 0.458 4.419 3.960 0.000 0.000 0.290 705 G C -2.048 172.944 174.900 0.153 0.000 1.442 705 G CA -0.782 44.349 45.100 0.052 0.000 0.792 705 G HN 0.237 nan 8.290 nan 0.000 0.491 706 F N 2.063 122.030 119.950 0.027 0.000 2.460 706 F HA 0.650 5.177 4.527 0.000 0.000 0.341 706 F C -2.285 173.640 175.800 0.208 0.000 1.130 706 F CA -2.476 55.577 58.000 0.088 0.000 0.962 706 F CB 2.617 41.651 39.000 0.056 0.000 1.171 706 F HN 0.205 nan 8.300 nan 0.000 0.436 707 P HA 0.115 nan 4.420 nan 0.000 0.274 707 P C -1.086 176.132 177.300 -0.136 0.000 1.237 707 P CA -0.480 62.370 63.100 -0.417 0.000 0.793 707 P CB 0.593 32.085 31.700 -0.346 0.000 0.977 708 K N 2.467 122.821 120.400 -0.077 0.000 2.511 708 K HA -0.016 4.305 4.320 0.000 0.000 0.277 708 K C -1.796 174.772 176.600 -0.054 0.000 1.025 708 K CA -0.381 55.893 56.287 -0.022 0.000 1.112 708 K CB -0.647 31.852 32.500 -0.001 0.000 0.859 708 K HN 0.452 nan 8.250 nan 0.000 0.485 709 P HA 0.041 nan 4.420 nan 0.000 0.278 709 P C -1.292 175.968 177.300 -0.066 0.000 1.258 709 P CA -0.498 62.548 63.100 -0.089 0.000 0.811 709 P CB 0.804 32.418 31.700 -0.143 0.000 1.063 710 Q N 0.188 119.950 119.800 -0.063 0.000 2.282 710 Q HA 0.420 4.760 4.340 0.000 0.000 0.260 710 Q C -0.889 175.081 176.000 -0.050 0.000 0.964 710 Q CA -1.045 54.739 55.803 -0.032 0.000 0.880 710 Q CB 1.157 29.892 28.738 -0.005 0.000 1.286 710 Q HN 0.141 nan 8.270 nan 0.000 0.445 711 V N 3.295 123.196 119.914 -0.021 0.000 2.288 711 V HA 0.190 4.311 4.120 0.000 0.000 0.266 711 V C 0.585 176.674 176.094 -0.007 0.000 1.048 711 V CA -0.360 61.912 62.300 -0.046 0.000 0.842 711 V CB 0.429 32.255 31.823 0.006 0.000 1.064 711 V HN 0.948 nan 8.190 nan 0.000 0.472 712 T N 1.189 115.713 114.554 -0.050 0.000 2.882 712 T HA 0.502 4.853 4.350 0.000 0.000 0.287 712 T C -0.603 174.039 174.700 -0.097 0.000 1.014 712 T CA -0.352 61.764 62.100 0.026 0.000 1.049 712 T CB 1.230 70.121 68.868 0.038 0.000 1.001 712 T HN 0.459 nan 8.240 nan 0.000 0.525 713 W N 0.046 121.420 121.300 0.122 0.000 2.929 713 W HA 0.734 5.394 4.660 0.000 0.000 0.345 713 W C 0.198 176.817 176.519 0.167 0.000 1.151 713 W CA -0.865 56.569 57.345 0.149 0.000 1.111 713 W CB 2.059 31.601 29.460 0.136 0.000 1.449 713 W HN 0.654 nan 8.180 nan 0.000 0.572 714 K N 0.957 121.667 120.400 0.515 0.000 2.571 714 K HA 0.436 4.756 4.320 0.000 0.000 0.289 714 K C -1.567 175.296 176.600 0.439 0.000 1.028 714 K CA -1.218 55.305 56.287 0.393 0.000 0.895 714 K CB 2.928 35.605 32.500 0.295 0.000 1.534 714 K HN 0.317 nan 8.250 nan 0.000 0.421 715 K N 0.544 121.114 120.400 0.283 0.000 2.426 715 K HA 0.638 4.959 4.320 0.000 0.000 0.251 715 K C -1.832 174.780 176.600 0.020 0.000 0.941 715 K CA -0.581 55.760 56.287 0.090 0.000 0.808 715 K CB 2.117 34.656 32.500 0.064 0.000 1.265 715 K HN 0.680 nan 8.250 nan 0.000 0.432 716 A N 3.678 126.449 122.820 -0.082 0.000 2.267 716 A HA 0.359 4.679 4.320 0.000 0.000 0.315 716 A C 0.605 178.080 177.584 -0.180 0.000 1.297 716 A CA -0.709 51.291 52.037 -0.063 0.000 0.865 716 A CB 1.062 20.082 19.000 0.034 0.000 1.165 716 A HN 0.515 nan 8.150 nan 0.000 0.513 717 V N 3.121 122.957 119.914 -0.131 0.000 2.244 717 V HA -0.110 4.010 4.120 0.000 0.000 0.244 717 V C 2.134 178.134 176.094 -0.157 0.000 1.042 717 V CA 2.394 64.614 62.300 -0.134 0.000 1.006 717 V CB -0.735 31.042 31.823 -0.077 0.000 0.641 717 V HN 0.958 nan 8.190 nan 0.000 0.446 718 G N -0.088 108.629 108.800 -0.139 0.000 3.471 718 G HA2 0.142 4.103 3.960 0.000 0.000 0.254 718 G HA3 0.142 4.103 3.960 0.000 0.000 0.254 718 G C -0.077 174.714 174.900 -0.182 0.000 1.199 718 G CA -0.029 44.993 45.100 -0.130 0.000 1.683 718 G HN 0.580 nan 8.290 nan 0.000 0.625 719 D N -0.235 119.991 120.400 -0.289 0.000 2.689 719 D HA -0.154 4.486 4.640 0.000 0.000 0.237 719 D C 0.305 176.334 176.300 -0.451 0.000 1.148 719 D CA 1.847 55.595 54.000 -0.420 0.000 0.656 719 D CB -1.105 39.562 40.800 -0.221 0.000 1.050 719 D HN 0.485 nan 8.370 nan 0.000 0.426 720 T N -0.654 113.611 114.554 -0.482 0.000 3.291 720 T HA 0.423 4.773 4.350 0.000 0.000 0.344 720 T C -2.986 171.734 174.700 0.034 0.000 1.293 720 T CA -1.207 60.809 62.100 -0.139 0.000 1.108 720 T CB 2.275 71.117 68.868 -0.043 0.000 1.231 720 T HN -0.224 nan 8.240 nan 0.000 0.474 721 P HA 0.622 nan 4.420 nan 0.000 0.290 721 P C 0.538 177.983 177.300 0.243 0.000 1.276 721 P CA 0.169 63.484 63.100 0.357 0.000 0.808 721 P CB 1.388 33.289 31.700 0.335 0.000 0.966 722 G N 2.890 111.874 108.800 0.308 0.000 3.685 722 G HA2 -0.166 3.795 3.960 0.000 0.000 0.215 722 G HA3 -0.166 3.795 3.960 0.000 0.000 0.215 722 G C 0.830 175.709 174.900 -0.034 0.000 0.987 722 G CA 0.275 45.538 45.100 0.271 0.000 0.884 722 G HN 0.542 nan 8.290 nan 0.000 0.406 723 E N 0.783 120.941 120.200 -0.071 0.000 2.152 723 E HA -0.024 4.327 4.350 0.000 0.000 0.192 723 E C 0.903 177.262 176.600 -0.401 0.000 0.983 723 E CA 0.663 56.918 56.400 -0.242 0.000 0.818 723 E CB -0.914 28.721 29.700 -0.109 0.000 0.758 723 E HN 1.127 nan 8.360 nan 0.000 0.467 724 Y N 1.524 121.844 120.300 0.035 0.000 2.928 724 Y HA -0.278 4.272 4.550 0.000 0.000 0.205 724 Y C -0.280 175.655 175.900 0.057 0.000 1.437 724 Y CA 0.576 58.710 58.100 0.056 0.000 0.980 724 Y CB -1.569 36.932 38.460 0.067 0.000 1.500 724 Y HN 0.100 nan 8.280 nan 0.000 0.328 725 K N 2.184 122.642 120.400 0.097 0.000 2.350 725 K HA 0.371 4.692 4.320 0.000 0.000 0.241 725 K C -0.319 176.353 176.600 0.120 0.000 0.994 725 K CA -0.944 55.380 56.287 0.062 0.000 0.839 725 K CB 1.261 33.762 32.500 0.001 0.000 1.244 725 K HN 0.453 nan 8.250 nan 0.000 0.443 726 D N 1.611 122.076 120.400 0.109 0.000 2.406 726 D HA -0.013 4.627 4.640 0.000 0.000 0.234 726 D C 0.244 176.625 176.300 0.135 0.000 1.196 726 D CA 0.376 54.457 54.000 0.135 0.000 0.881 726 D CB 0.441 41.309 40.800 0.113 0.000 1.205 726 D HN 0.234 nan 8.370 nan 0.000 0.453 727 L N 1.115 122.433 121.223 0.158 0.000 2.476 727 L HA 0.109 4.449 4.340 0.000 0.000 0.255 727 L C 1.091 178.017 176.870 0.095 0.000 1.218 727 L CA 0.225 55.153 54.840 0.147 0.000 0.819 727 L CB 0.108 42.253 42.059 0.143 0.000 1.119 727 L HN 0.085 nan 8.230 nan 0.000 0.485 728 K N 1.774 122.221 120.400 0.080 0.000 2.284 728 K HA 0.165 4.485 4.320 0.000 0.000 0.287 728 K C -0.656 175.964 176.600 0.032 0.000 1.081 728 K CA -0.684 55.632 56.287 0.048 0.000 0.910 728 K CB 0.401 32.927 32.500 0.043 0.000 1.088 728 K HN 0.214 nan 8.250 nan 0.000 0.478 729 K N 3.067 123.484 120.400 0.027 0.000 2.319 729 K HA 0.006 4.326 4.320 0.000 0.000 0.277 729 K C -0.195 176.412 176.600 0.011 0.000 1.111 729 K CA 0.358 56.658 56.287 0.021 0.000 1.093 729 K CB -0.309 32.203 32.500 0.020 0.000 0.910 729 K HN 0.826 nan 8.250 nan 0.000 0.452 730 S N 0.478 116.181 115.700 0.006 0.000 2.558 730 S HA 0.194 4.665 4.470 0.000 0.000 0.277 730 S C -0.002 174.593 174.600 -0.008 0.000 1.143 730 S CA -0.976 57.224 58.200 -0.001 0.000 0.865 730 S CB 1.193 64.391 63.200 -0.004 0.000 1.102 730 S HN 0.325 nan 8.310 nan 0.000 0.454 731 D N 1.390 121.784 120.400 -0.010 0.000 2.265 731 D HA -0.134 4.506 4.640 0.000 0.000 0.208 731 D C 1.582 177.869 176.300 -0.021 0.000 0.977 731 D CA 0.999 54.990 54.000 -0.015 0.000 0.871 731 D CB -0.363 40.428 40.800 -0.015 0.000 0.925 731 D HN 0.670 nan 8.370 nan 0.000 0.485 732 N N 0.181 118.866 118.700 -0.024 0.000 2.061 732 N HA -0.135 4.605 4.740 0.000 0.000 0.193 732 N C 0.102 175.580 175.510 -0.053 0.000 1.030 732 N CA 0.766 53.794 53.050 -0.037 0.000 0.856 732 N CB 0.209 38.675 38.487 -0.034 0.000 1.023 732 N HN 0.171 nan 8.380 nan 0.000 0.424 733 I N 1.570 122.113 120.570 -0.045 0.000 2.382 733 I HA 0.335 4.505 4.170 0.000 0.000 0.285 733 I C -0.511 175.578 176.117 -0.046 0.000 1.007 733 I CA -0.498 60.762 61.300 -0.067 0.000 1.142 733 I CB 1.752 39.718 38.000 -0.058 0.000 1.289 733 I HN 0.016 nan 8.210 nan 0.000 0.453 734 R N 4.611 125.082 120.500 -0.049 0.000 2.854 734 R HA 0.836 5.176 4.340 0.000 0.000 0.271 734 R C -1.297 174.981 176.300 -0.037 0.000 0.996 734 R CA -1.057 55.026 56.100 -0.029 0.000 0.961 734 R CB 2.924 33.209 30.300 -0.025 0.000 1.182 734 R HN 0.266 nan 8.270 nan 0.000 0.479 735 V N 1.702 121.615 119.914 -0.002 0.000 2.487 735 V HA 0.372 4.493 4.120 0.000 0.000 0.298 735 V C -0.628 175.496 176.094 0.051 0.000 1.028 735 V CA -0.657 61.668 62.300 0.042 0.000 0.860 735 V CB 1.486 33.391 31.823 0.136 0.000 0.991 735 V HN 0.905 nan 8.190 nan 0.000 0.427 736 E N 2.835 123.073 120.200 0.063 0.000 2.335 736 E HA 0.535 4.886 4.350 0.000 0.000 0.280 736 E C -0.505 176.140 176.600 0.075 0.000 0.918 736 E CA -0.845 55.577 56.400 0.037 0.000 0.765 736 E CB 1.800 31.474 29.700 -0.042 0.000 1.218 736 E HN 0.603 nan 8.360 nan 0.000 0.425 737 E N 1.021 121.263 120.200 0.070 0.000 2.883 737 E HA -0.330 4.021 4.350 0.000 0.000 0.271 737 E C 0.863 177.542 176.600 0.131 0.000 1.049 737 E CA 0.779 57.229 56.400 0.083 0.000 0.817 737 E CB -1.684 28.058 29.700 0.070 0.000 1.407 737 E HN 1.201 nan 8.360 nan 0.000 0.434 738 G N -0.727 108.178 108.800 0.175 0.000 2.212 738 G HA2 -0.384 3.576 3.960 0.000 0.000 0.266 738 G HA3 -0.384 3.576 3.960 0.000 0.000 0.266 738 G C 0.448 175.623 174.900 0.458 0.000 0.978 738 G CA 0.737 46.002 45.100 0.275 0.000 0.632 738 G HN 0.328 nan 8.290 nan 0.000 0.537 739 T N 1.499 116.236 114.554 0.305 0.000 2.870 739 T HA 0.448 4.798 4.350 0.000 0.000 0.300 739 T C 0.274 175.040 174.700 0.110 0.000 0.989 739 T CA -0.143 62.115 62.100 0.262 0.000 1.139 739 T CB 1.934 70.913 68.868 0.186 0.000 0.920 739 T HN 0.557 nan 8.240 nan 0.000 0.537 740 L N 4.755 125.860 121.223 -0.196 0.000 2.325 740 L HA 0.178 4.519 4.340 0.000 0.000 0.284 740 L C 0.012 176.679 176.870 -0.337 0.000 1.089 740 L CA 0.192 54.632 54.840 -0.666 0.000 0.836 740 L CB -0.342 40.818 42.059 -1.500 0.000 1.184 740 L HN 0.645 nan 8.230 nan 0.000 0.444 741 H N 5.392 124.281 119.070 -0.301 0.000 2.683 741 H HA 0.342 4.898 4.556 0.000 0.000 0.270 741 H C -1.219 173.957 175.328 -0.252 0.000 1.201 741 H CA -0.363 55.547 56.048 -0.229 0.000 1.277 741 H CB 1.000 30.678 29.762 -0.141 0.000 1.400 741 H HN 0.379 nan 8.280 nan 0.000 0.504 742 V N 5.528 125.235 119.914 -0.345 0.000 2.277 742 V HA 0.040 4.160 4.120 0.000 0.000 0.269 742 V C -0.061 175.853 176.094 -0.300 0.000 1.036 742 V CA -0.881 61.243 62.300 -0.293 0.000 0.821 742 V CB 0.841 32.453 31.823 -0.352 0.000 1.052 742 V HN 0.652 nan 8.190 nan 0.000 0.462 743 D N 3.696 123.988 120.400 -0.180 0.000 2.382 743 D HA 0.044 4.684 4.640 0.000 0.000 0.240 743 D C 0.908 177.120 176.300 -0.147 0.000 1.146 743 D CA 0.362 54.269 54.000 -0.155 0.000 0.897 743 D CB 0.195 40.961 40.800 -0.057 0.000 1.197 743 D HN 0.546 nan 8.370 nan 0.000 0.432 744 N N 1.212 119.827 118.700 -0.142 0.000 2.584 744 N HA -0.241 4.499 4.740 0.000 0.000 0.291 744 N C -0.823 174.622 175.510 -0.107 0.000 1.203 744 N CA -0.024 52.963 53.050 -0.106 0.000 0.735 744 N CB -0.552 37.896 38.487 -0.066 0.000 0.936 744 N HN 0.389 nan 8.380 nan 0.000 0.549 745 I N 3.077 123.567 120.570 -0.134 0.000 2.598 745 I HA -0.021 4.150 4.170 0.000 0.000 0.284 745 I C 0.606 176.702 176.117 -0.036 0.000 1.140 745 I CA 0.168 61.406 61.300 -0.103 0.000 1.420 745 I CB 0.676 38.609 38.000 -0.112 0.000 1.387 745 I HN 0.262 nan 8.210 nan 0.000 0.553 746 Q N 6.307 126.097 119.800 -0.016 0.000 2.227 746 Q HA 0.206 4.546 4.340 0.000 0.000 0.245 746 Q C 0.669 176.682 176.000 0.023 0.000 0.926 746 Q CA -0.495 55.309 55.803 0.002 0.000 0.895 746 Q CB 0.745 29.485 28.738 0.003 0.000 1.230 746 Q HN 0.520 nan 8.270 nan 0.000 0.450 747 K N 0.181 120.593 120.400 0.020 0.000 2.365 747 K HA -0.033 4.287 4.320 0.000 0.000 0.199 747 K C 1.478 178.093 176.600 0.025 0.000 1.045 747 K CA 1.014 57.316 56.287 0.026 0.000 0.962 747 K CB 0.162 32.673 32.500 0.017 0.000 0.759 747 K HN 0.516 nan 8.250 nan 0.000 0.469 748 T N 0.854 115.421 114.554 0.021 0.000 3.088 748 T HA 0.018 4.369 4.350 0.000 0.000 0.259 748 T C 0.835 175.556 174.700 0.035 0.000 1.122 748 T CA 0.517 62.627 62.100 0.017 0.000 1.095 748 T CB -0.090 68.783 68.868 0.009 0.000 0.930 748 T HN 0.154 nan 8.240 nan 0.000 0.508 749 N N 2.262 121.002 118.700 0.065 0.000 2.449 749 N HA 0.025 4.765 4.740 0.000 0.000 0.191 749 N C 0.558 176.179 175.510 0.184 0.000 1.161 749 N CA 0.017 53.149 53.050 0.136 0.000 0.863 749 N CB -0.161 38.401 38.487 0.125 0.000 0.980 749 N HN 0.731 nan 8.380 nan 0.000 0.458 750 E N 0.064 120.325 120.200 0.101 0.000 2.458 750 E HA 0.331 4.681 4.350 0.000 0.000 0.264 750 E C 0.786 177.389 176.600 0.006 0.000 1.097 750 E CA 0.084 56.533 56.400 0.081 0.000 0.973 750 E CB 0.444 30.162 29.700 0.029 0.000 0.963 750 E HN 0.114 nan 8.360 nan 0.000 0.451 751 G N 0.438 109.229 108.800 -0.016 0.000 2.331 751 G HA2 -0.068 3.893 3.960 0.000 0.000 0.479 751 G HA3 -0.068 3.893 3.960 0.000 0.000 0.479 751 G C -1.647 173.215 174.900 -0.064 0.000 1.262 751 G CA -0.585 44.374 45.100 -0.234 0.000 1.029 751 G HN 0.423 nan 8.290 nan 0.000 0.487 752 Y N 0.226 120.413 120.300 -0.189 0.000 2.335 752 Y HA 0.719 5.269 4.550 0.000 0.000 0.339 752 Y C 0.131 175.900 175.900 -0.218 0.000 0.987 752 Y CA -1.519 56.523 58.100 -0.095 0.000 1.140 752 Y CB 0.685 39.133 38.460 -0.020 0.000 1.173 752 Y HN 0.513 nan 8.280 nan 0.000 0.486 753 Y N 2.839 123.338 120.300 0.332 0.000 2.446 753 Y HA 0.608 5.159 4.550 0.000 0.000 0.338 753 Y C -0.309 175.829 175.900 0.396 0.000 1.055 753 Y CA -1.105 57.214 58.100 0.365 0.000 1.101 753 Y CB 2.006 40.684 38.460 0.363 0.000 1.221 753 Y HN 0.499 nan 8.280 nan 0.000 0.460 754 L N 4.445 125.982 121.223 0.522 0.000 2.406 754 L HA 0.546 4.886 4.340 0.000 0.000 0.270 754 L C -1.062 175.832 176.870 0.040 0.000 0.982 754 L CA -0.784 54.188 54.840 0.220 0.000 0.843 754 L CB 0.474 42.618 42.059 0.142 0.000 1.225 754 L HN 0.954 nan 8.230 nan 0.000 0.412 755 c N 3.182 121.554 118.600 -0.379 0.000 2.330 755 c HA 0.676 5.247 4.570 0.000 0.000 0.344 755 c C -0.082 173.870 174.090 -0.230 0.000 1.273 755 c CA -0.477 55.383 56.329 -0.783 0.000 1.879 755 c CB 0.620 42.090 42.510 -1.734 0.000 2.376 755 c HN 0.887 nan 8.230 nan 0.000 0.534 756 E N 2.721 122.820 120.200 -0.169 0.000 2.183 756 E HA 0.629 4.979 4.350 0.000 0.000 0.271 756 E C -0.566 175.960 176.600 -0.123 0.000 0.919 756 E CA -0.471 55.901 56.400 -0.048 0.000 0.781 756 E CB 1.928 31.610 29.700 -0.030 0.000 1.140 756 E HN 0.951 nan 8.360 nan 0.000 0.402 757 A N 4.093 126.786 122.820 -0.211 0.000 2.271 757 A HA 0.652 4.972 4.320 0.000 0.000 0.317 757 A C -0.524 176.915 177.584 -0.242 0.000 1.245 757 A CA -0.513 51.316 52.037 -0.347 0.000 0.857 757 A CB 0.019 18.555 19.000 -0.774 0.000 1.175 757 A HN 0.610 nan 8.150 nan 0.000 0.512 758 I N 2.345 122.816 120.570 -0.165 0.000 2.619 758 I HA 0.362 4.533 4.170 0.000 0.000 0.292 758 I C -0.016 176.038 176.117 -0.106 0.000 1.100 758 I CA -0.883 60.345 61.300 -0.120 0.000 1.043 758 I CB 2.559 40.516 38.000 -0.073 0.000 1.239 758 I HN 0.734 nan 8.210 nan 0.000 0.420 759 N N 2.705 121.342 118.700 -0.106 0.000 2.168 759 N HA 0.183 4.923 4.740 0.000 0.000 0.216 759 N C 0.908 176.351 175.510 -0.112 0.000 1.259 759 N CA 0.445 53.432 53.050 -0.105 0.000 0.902 759 N CB 1.286 39.705 38.487 -0.113 0.000 1.079 759 N HN 0.936 nan 8.380 nan 0.000 0.507 760 G N 0.372 109.114 108.800 -0.098 0.000 2.131 760 G HA2 -0.227 3.733 3.960 0.000 0.000 0.223 760 G HA3 -0.227 3.733 3.960 0.000 0.000 0.223 760 G C 0.392 175.226 174.900 -0.111 0.000 0.990 760 G CA 0.416 45.459 45.100 -0.094 0.000 0.671 760 G HN 0.225 nan 8.290 nan 0.000 0.521 761 I N 0.811 121.317 120.570 -0.107 0.000 2.296 761 I HA 0.370 4.540 4.170 0.000 0.000 0.242 761 I C 2.091 178.173 176.117 -0.058 0.000 1.087 761 I CA 1.730 62.972 61.300 -0.097 0.000 1.393 761 I CB -0.838 37.126 38.000 -0.061 0.000 1.093 761 I HN 0.378 nan 8.210 nan 0.000 0.421 762 G N -1.376 107.395 108.800 -0.048 0.000 3.075 762 G HA2 0.459 4.420 3.960 0.000 0.000 0.253 762 G HA3 0.459 4.420 3.960 0.000 0.000 0.253 762 G C -0.554 174.323 174.900 -0.038 0.000 1.353 762 G CA -0.199 44.880 45.100 -0.035 0.000 1.051 762 G HN 0.103 nan 8.290 nan 0.000 0.553 763 S N -1.561 114.123 115.700 -0.027 0.000 2.587 763 S HA 0.454 4.924 4.470 0.000 0.000 0.260 763 S C 1.061 175.641 174.600 -0.033 0.000 1.353 763 S CA 0.257 58.443 58.200 -0.024 0.000 0.995 763 S CB 0.016 63.208 63.200 -0.013 0.000 0.912 763 S HN 1.006 nan 8.310 nan 0.000 0.568 764 G N 1.094 109.875 108.800 -0.031 0.000 2.569 764 G HA2 0.448 4.408 3.960 0.000 0.000 0.249 764 G HA3 0.448 4.408 3.960 0.000 0.000 0.249 764 G C -0.929 173.953 174.900 -0.029 0.000 1.216 764 G CA -0.559 44.514 45.100 -0.044 0.000 0.845 764 G HN 0.571 nan 8.290 nan 0.000 0.568 765 L N 0.836 122.017 121.223 -0.070 0.000 2.350 765 L HA 0.525 4.865 4.340 0.000 0.000 0.275 765 L C 0.697 177.669 176.870 0.170 0.000 1.099 765 L CA 0.123 54.976 54.840 0.021 0.000 0.808 765 L CB 1.748 43.608 42.059 -0.331 0.000 1.149 765 L HN 0.673 nan 8.230 nan 0.000 0.442 766 S N 1.411 117.323 115.700 0.353 0.000 2.540 766 S HA 0.972 5.443 4.470 0.000 0.000 0.275 766 S C -0.970 173.714 174.600 0.139 0.000 1.123 766 S CA -0.657 57.671 58.200 0.214 0.000 0.907 766 S CB 2.018 65.240 63.200 0.035 0.000 1.081 766 S HN 0.856 nan 8.310 nan 0.000 0.476 767 A N 1.752 124.562 122.820 -0.016 0.000 2.459 767 A HA 0.755 5.075 4.320 0.000 0.000 0.296 767 A C -0.989 176.512 177.584 -0.139 0.000 1.039 767 A CA -0.752 51.151 52.037 -0.222 0.000 0.698 767 A CB 1.371 20.031 19.000 -0.566 0.000 1.261 767 A HN 1.017 nan 8.150 nan 0.000 0.405 768 V N 2.047 121.886 119.914 -0.125 0.000 2.732 768 V HA 0.792 4.913 4.120 0.000 0.000 0.310 768 V C -0.451 175.623 176.094 -0.033 0.000 1.053 768 V CA -0.480 61.785 62.300 -0.059 0.000 0.957 768 V CB 1.550 33.307 31.823 -0.111 0.000 1.018 768 V HN 0.850 nan 8.190 nan 0.000 0.452 769 I N 2.644 123.255 120.570 0.068 0.000 2.842 769 I HA 0.473 4.643 4.170 0.000 0.000 0.297 769 I C -0.904 175.327 176.117 0.191 0.000 1.380 769 I CA -0.363 61.003 61.300 0.110 0.000 1.018 769 I CB 2.215 40.345 38.000 0.217 0.000 1.311 769 I HN 0.712 nan 8.210 nan 0.000 0.439 770 M N 7.239 126.932 119.600 0.156 0.000 2.167 770 M HA 0.611 5.091 4.480 0.000 0.000 0.333 770 M C -1.752 174.689 176.300 0.234 0.000 1.030 770 M CA -0.475 54.994 55.300 0.282 0.000 0.963 770 M CB 0.870 33.619 32.600 0.248 0.000 1.589 770 M HN 0.396 nan 8.290 nan 0.000 0.431 771 I N 3.730 124.500 120.570 0.334 0.000 2.339 771 I HA 0.399 4.569 4.170 0.000 0.000 0.290 771 I C -0.329 175.933 176.117 0.242 0.000 0.994 771 I CA -0.305 61.163 61.300 0.279 0.000 1.191 771 I CB 1.817 40.045 38.000 0.380 0.000 1.343 771 I HN 0.657 nan 8.210 nan 0.000 0.458 772 S N 4.569 120.355 115.700 0.142 0.000 2.751 772 S HA 0.737 5.207 4.470 0.000 0.000 0.310 772 S C -0.499 174.172 174.600 0.118 0.000 1.128 772 S CA -0.731 57.537 58.200 0.113 0.000 0.931 772 S CB 2.542 65.781 63.200 0.065 0.000 1.177 772 S HN 0.289 nan 8.310 nan 0.000 0.530 773 V N 1.329 121.296 119.914 0.088 0.000 2.769 773 V HA 0.613 4.733 4.120 0.000 0.000 0.312 773 V C -0.719 175.407 176.094 0.053 0.000 1.061 773 V CA -0.634 61.717 62.300 0.085 0.000 0.931 773 V CB 1.822 33.687 31.823 0.070 0.000 1.010 773 V HN 0.666 nan 8.190 nan 0.000 0.433 774 Q N 1.327 121.158 119.800 0.052 0.000 2.397 774 Q HA 0.882 5.222 4.340 0.000 0.000 0.275 774 Q C -0.767 175.251 176.000 0.030 0.000 1.090 774 Q CA -0.368 55.454 55.803 0.033 0.000 0.809 774 Q CB 2.741 31.494 28.738 0.024 0.000 1.362 774 Q HN 1.036 nan 8.270 nan 0.000 0.431 775 A N 0.000 122.832 122.820 0.021 0.000 2.254 775 A HA 0.000 4.320 4.320 0.000 0.000 0.244 775 A CA 0.000 52.047 52.037 0.017 0.000 0.836 775 A CB 0.000 19.009 19.000 0.016 0.000 0.831 775 A HN 0.000 nan 8.150 nan 0.000 0.486