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_B 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 TTPLNV 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 0.000 175.809 176.000 -0.319 0.000 1.003 1 Q CA 0.000 55.739 55.803 -0.106 0.000 1.022 1 Q CB 0.000 28.710 28.738 -0.046 0.000 1.108 2 K N -0.227 119.924 120.400 -0.415 0.000 2.543 2 K HA 0.537 4.857 4.320 0.000 0.000 0.255 2 K C -0.667 175.685 176.600 -0.413 0.000 0.934 2 K CA -0.169 55.870 56.287 -0.413 0.000 0.810 2 K CB 1.634 34.011 32.500 -0.205 0.000 1.315 2 K HN 0.168 nan 8.250 nan 0.000 0.433 3 G N 3.067 111.631 108.800 -0.394 0.000 2.606 3 G HA2 0.283 4.243 3.960 0.000 0.000 0.252 3 G HA3 0.283 4.243 3.960 0.000 0.000 0.252 3 G C -2.370 172.448 174.900 -0.137 0.000 1.206 3 G CA -0.904 44.075 45.100 -0.203 0.000 0.861 3 G HN 0.412 nan 8.290 nan 0.000 0.561 4 P HA 0.283 nan 4.420 nan 0.000 0.272 4 P C -0.700 176.490 177.300 -0.184 0.000 1.223 4 P CA -0.166 62.835 63.100 -0.164 0.000 0.784 4 P CB 1.742 33.317 31.700 -0.208 0.000 0.923 5 V N 3.387 123.180 119.914 -0.200 0.000 2.851 5 V HA 0.390 4.510 4.120 0.000 0.000 0.307 5 V C -1.270 174.736 176.094 -0.146 0.000 1.129 5 V CA -0.889 61.321 62.300 -0.150 0.000 0.932 5 V CB 1.425 33.216 31.823 -0.053 0.000 1.024 5 V HN 0.205 nan 8.190 nan 0.000 0.426 6 F N 6.241 126.179 119.950 -0.021 0.000 2.506 6 F HA 0.357 4.884 4.527 0.000 0.000 0.371 6 F C 1.138 176.927 175.800 -0.019 0.000 1.078 6 F CA 0.160 58.143 58.000 -0.028 0.000 1.195 6 F CB 1.058 40.040 39.000 -0.031 0.000 1.099 6 F HN 0.409 nan 8.300 nan 0.000 0.548 7 L N 2.303 123.634 121.223 0.180 0.000 2.408 7 L HA 0.155 4.495 4.340 0.000 0.000 0.215 7 L C 0.453 177.383 176.870 0.099 0.000 1.081 7 L CA 0.495 55.398 54.840 0.105 0.000 0.840 7 L CB 0.132 42.227 42.059 0.060 0.000 1.002 7 L HN 0.439 nan 8.230 nan 0.000 0.468 8 K N 0.864 121.340 120.400 0.127 0.000 2.690 8 K HA 0.252 4.572 4.320 0.000 0.000 0.264 8 K C -1.031 175.595 176.600 0.043 0.000 1.040 8 K CA -0.251 56.079 56.287 0.072 0.000 0.946 8 K CB 1.346 33.886 32.500 0.066 0.000 1.268 8 K HN -0.055 nan 8.250 nan 0.000 0.473 9 E N 3.228 123.394 120.200 -0.057 0.000 2.250 9 E HA 0.383 4.733 4.350 0.000 0.000 0.265 9 E C -2.295 174.277 176.600 -0.047 0.000 1.033 9 E CA -2.162 54.135 56.400 -0.172 0.000 0.888 9 E CB 0.897 30.387 29.700 -0.351 0.000 1.151 9 E HN 0.357 nan 8.360 nan 0.000 0.412 10 P HA 0.067 nan 4.420 nan 0.000 0.276 10 P C -0.644 176.678 177.300 0.036 0.000 1.252 10 P CA -0.450 62.698 63.100 0.080 0.000 0.802 10 P CB 0.357 32.182 31.700 0.209 0.000 1.035 11 T N -1.983 112.606 114.554 0.059 0.000 2.813 11 T HA 0.115 4.465 4.350 0.000 0.000 0.297 11 T C 1.088 175.831 174.700 0.073 0.000 1.036 11 T CA -0.325 61.804 62.100 0.050 0.000 1.044 11 T CB -0.009 68.894 68.868 0.060 0.000 0.993 11 T HN 0.266 nan 8.240 nan 0.000 0.535 12 N N 0.070 118.814 118.700 0.072 0.000 2.166 12 N HA -0.054 4.686 4.740 0.000 0.000 0.186 12 N C 0.405 176.059 175.510 0.238 0.000 1.019 12 N CA 0.746 53.879 53.050 0.138 0.000 0.856 12 N CB 0.125 38.680 38.487 0.114 0.000 0.993 12 N HN 0.258 nan 8.380 nan 0.000 0.426 13 R N 0.908 121.504 120.500 0.160 0.000 2.439 13 R HA 0.345 4.685 4.340 0.000 0.000 0.310 13 R C -1.185 175.209 176.300 0.155 0.000 0.955 13 R CA -0.464 55.733 56.100 0.162 0.000 0.853 13 R CB 1.756 32.115 30.300 0.099 0.000 1.171 13 R HN 0.038 nan 8.270 nan 0.000 0.449 14 I N 3.847 124.529 120.570 0.188 0.000 2.466 14 I HA 0.227 4.397 4.170 0.000 0.000 0.279 14 I C -0.663 175.623 176.117 0.282 0.000 1.033 14 I CA -0.521 60.897 61.300 0.198 0.000 1.123 14 I CB 1.614 39.709 38.000 0.158 0.000 1.237 14 I HN 0.392 nan 8.210 nan 0.000 0.460 15 D N 8.022 128.582 120.400 0.267 0.000 2.192 15 D HA 0.668 5.308 4.640 0.000 0.000 0.246 15 D C -0.571 175.916 176.300 0.311 0.000 1.042 15 D CA 0.095 54.233 54.000 0.230 0.000 0.847 15 D CB 2.398 43.326 40.800 0.212 0.000 1.186 15 D HN 0.332 nan 8.370 nan 0.000 0.461 16 F N -1.603 118.313 119.950 -0.056 0.000 2.719 16 F HA 0.436 4.963 4.527 0.000 0.000 0.309 16 F C -0.637 175.103 175.800 -0.100 0.000 1.138 16 F CA -1.208 56.759 58.000 -0.055 0.000 0.943 16 F CB 0.942 39.944 39.000 0.003 0.000 1.304 16 F HN 0.165 nan 8.300 nan 0.000 0.445 17 S N 0.591 116.280 115.700 -0.018 0.000 2.616 17 S HA 0.207 4.677 4.470 0.000 0.000 0.277 17 S C 0.643 175.131 174.600 -0.187 0.000 1.234 17 S CA -0.223 57.866 58.200 -0.186 0.000 1.028 17 S CB 1.380 64.481 63.200 -0.164 0.000 0.988 17 S HN 0.927 nan 8.310 nan 0.000 0.522 18 N N 1.804 120.241 118.700 -0.438 0.000 2.364 18 N HA -0.133 4.607 4.740 0.000 0.000 0.183 18 N C 0.982 176.193 175.510 -0.498 0.000 1.022 18 N CA 1.347 53.881 53.050 -0.860 0.000 0.883 18 N CB -0.651 37.075 38.487 -1.270 0.000 0.965 18 N HN 0.508 nan 8.380 nan 0.000 0.438 19 S N -0.746 114.794 115.700 -0.266 0.000 2.501 19 S HA 0.067 4.537 4.470 0.000 0.000 0.220 19 S C 1.606 176.180 174.600 -0.044 0.000 0.997 19 S CA 0.521 58.638 58.200 -0.139 0.000 0.919 19 S CB 0.166 63.293 63.200 -0.121 0.000 0.778 19 S HN 0.473 nan 8.310 nan 0.000 0.523 20 T N 0.840 115.395 114.554 0.001 0.000 2.953 20 T HA 0.406 4.756 4.350 0.000 0.000 0.247 20 T C 1.038 175.809 174.700 0.117 0.000 1.029 20 T CA 0.837 62.973 62.100 0.060 0.000 1.144 20 T CB -0.370 68.546 68.868 0.079 0.000 0.870 20 T HN 0.596 nan 8.240 nan 0.000 0.446 21 G N 0.984 109.943 108.800 0.265 0.000 2.829 21 G HA2 0.312 4.273 3.960 0.000 0.000 0.628 21 G HA3 0.312 4.273 3.960 0.000 0.000 0.628 21 G C -0.515 174.339 174.900 -0.076 0.000 1.412 21 G CA -0.644 44.631 45.100 0.292 0.000 0.864 21 G HN 1.047 nan 8.290 nan 0.000 0.544 22 A N -0.007 122.542 122.820 -0.452 0.000 2.604 22 A HA 0.874 5.194 4.320 0.000 0.000 0.295 22 A C -0.436 176.959 177.584 -0.315 0.000 1.067 22 A CA 0.520 52.154 52.037 -0.672 0.000 0.683 22 A CB 1.598 19.579 19.000 -1.697 0.000 1.281 22 A HN 1.934 nan 8.150 nan 0.000 0.407 23 E N 1.021 121.104 120.200 -0.195 0.000 2.266 23 E HA 0.724 5.074 4.350 0.000 0.000 0.268 23 E C -1.117 175.438 176.600 -0.074 0.000 0.879 23 E CA -0.800 55.529 56.400 -0.118 0.000 0.762 23 E CB 1.916 31.560 29.700 -0.094 0.000 1.199 23 E HN 0.836 nan 8.360 nan 0.000 0.422 24 I N -0.467 120.058 120.570 -0.075 0.000 2.439 24 I HA 0.478 4.648 4.170 0.000 0.000 0.285 24 I C -0.611 175.570 176.117 0.105 0.000 1.021 24 I CA -0.909 60.400 61.300 0.014 0.000 1.091 24 I CB 1.761 39.788 38.000 0.046 0.000 1.242 24 I HN 0.592 nan 8.210 nan 0.000 0.439 25 E N 5.879 126.177 120.200 0.164 0.000 2.174 25 E HA 0.376 4.726 4.350 0.000 0.000 0.282 25 E C -1.550 175.213 176.600 0.271 0.000 0.992 25 E CA -0.626 55.900 56.400 0.210 0.000 0.803 25 E CB 1.862 31.630 29.700 0.112 0.000 1.090 25 E HN 0.861 nan 8.360 nan 0.000 0.396 26 c N 6.906 125.703 118.600 0.329 0.000 2.321 26 c HA 0.436 5.006 4.570 0.000 0.000 0.323 26 c C -0.711 173.445 174.090 0.109 0.000 1.191 26 c CA -0.788 55.632 56.329 0.152 0.000 1.455 26 c CB 0.035 42.475 42.510 -0.116 0.000 2.083 26 c HN 0.609 nan 8.230 nan 0.000 0.442 27 K N 4.470 124.940 120.400 0.116 0.000 2.235 27 K HA 0.744 5.064 4.320 0.000 0.000 0.266 27 K C -0.649 176.017 176.600 0.110 0.000 0.980 27 K CA 0.067 56.408 56.287 0.091 0.000 0.849 27 K CB 1.616 34.159 32.500 0.073 0.000 1.098 27 K HN 0.860 nan 8.250 nan 0.000 0.445 28 A N 2.521 125.362 122.820 0.036 0.000 2.386 28 A HA 0.494 4.814 4.320 0.000 0.000 0.311 28 A C -0.763 176.784 177.584 -0.062 0.000 1.068 28 A CA -0.629 51.380 52.037 -0.047 0.000 0.743 28 A CB 1.488 20.363 19.000 -0.209 0.000 1.258 28 A HN 0.660 nan 8.150 nan 0.000 0.429 29 S N 0.853 116.509 115.700 -0.072 0.000 2.593 29 S HA 0.902 5.372 4.470 0.000 0.000 0.297 29 S C 0.135 174.683 174.600 -0.086 0.000 1.112 29 S CA 0.342 58.507 58.200 -0.058 0.000 1.043 29 S CB 1.409 64.589 63.200 -0.034 0.000 1.054 29 S HN 2.269 nan 8.310 nan 0.000 0.516 30 G N 1.612 110.371 108.800 -0.068 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 -1.828 173.038 174.900 -0.057 0.000 1.291 30 G CA -0.821 44.233 45.100 -0.077 0.000 0.841 30 G HN 0.858 nan 8.290 nan 0.000 0.500 31 N N 0.637 119.301 118.700 -0.061 0.000 2.812 31 N HA 0.422 5.162 4.740 0.000 0.000 0.262 31 N C -3.117 172.400 175.510 0.012 0.000 1.241 31 N CA -0.955 52.075 53.050 -0.033 0.000 0.854 31 N CB 2.697 41.152 38.487 -0.053 0.000 1.506 31 N HN 0.231 nan 8.380 nan 0.000 0.576 32 P HA -0.008 nan 4.420 nan 0.000 0.270 32 P C -0.145 177.163 177.300 0.013 0.000 1.223 32 P CA -0.172 62.956 63.100 0.046 0.000 0.785 32 P CB 0.617 32.354 31.700 0.063 0.000 0.923 33 M N 3.772 123.373 119.600 0.002 0.000 2.474 33 M HA 0.075 4.555 4.480 0.000 0.000 0.352 33 M C -2.031 174.259 176.300 -0.017 0.000 1.690 33 M CA -1.187 54.106 55.300 -0.012 0.000 1.112 33 M CB -0.130 32.465 32.600 -0.007 0.000 2.062 33 M HN 0.171 nan 8.290 nan 0.000 0.461 34 P HA 0.160 nan 4.420 nan 0.000 0.277 34 P C -1.347 175.926 177.300 -0.046 0.000 1.240 34 P CA -0.252 62.819 63.100 -0.048 0.000 0.798 34 P CB 0.452 32.099 31.700 -0.090 0.000 0.979 35 E N 1.490 121.666 120.200 -0.041 0.000 2.349 35 E HA 0.406 4.756 4.350 0.000 0.000 0.265 35 E C -0.826 175.739 176.600 -0.058 0.000 1.064 35 E CA -0.743 55.637 56.400 -0.034 0.000 0.886 35 E CB 0.350 30.039 29.700 -0.019 0.000 1.036 35 E HN 0.209 nan 8.360 nan 0.000 0.413 36 I N 2.812 123.352 120.570 -0.050 0.000 2.428 36 I HA 0.266 4.436 4.170 0.000 0.000 0.279 36 I C -0.534 175.531 176.117 -0.087 0.000 1.040 36 I CA -0.226 61.012 61.300 -0.103 0.000 1.171 36 I CB 0.677 38.618 38.000 -0.098 0.000 1.312 36 I HN 0.461 nan 8.210 nan 0.000 0.470 37 I N 4.027 124.540 120.570 -0.094 0.000 2.359 37 I HA 0.286 4.456 4.170 0.000 0.000 0.294 37 I C -0.725 175.360 176.117 -0.054 0.000 0.987 37 I CA -0.602 60.692 61.300 -0.010 0.000 1.225 37 I CB 1.132 39.142 38.000 0.017 0.000 1.366 37 I HN 0.448 nan 8.210 nan 0.000 0.466 38 W N 7.142 128.460 121.300 0.029 0.000 2.351 38 W HA 0.523 5.183 4.660 0.000 0.000 0.311 38 W C 0.155 176.721 176.519 0.078 0.000 1.168 38 W CA -0.374 57.001 57.345 0.050 0.000 1.200 38 W CB 0.968 30.427 29.460 -0.002 0.000 1.221 38 W HN 0.289 nan 8.180 nan 0.000 0.519 39 I N 0.058 120.817 120.570 0.315 0.000 2.863 39 I HA 0.696 4.866 4.170 0.000 0.000 0.311 39 I C -0.127 176.158 176.117 0.280 0.000 1.026 39 I CA -1.481 59.959 61.300 0.232 0.000 1.077 39 I CB 1.846 39.926 38.000 0.134 0.000 1.262 39 I HN 0.343 nan 8.210 nan 0.000 0.461 40 R N 1.159 121.768 120.500 0.182 0.000 2.782 40 R HA 0.371 4.711 4.340 0.000 0.000 0.258 40 R C 1.426 177.756 176.300 0.049 0.000 1.055 40 R CA 0.172 56.340 56.100 0.114 0.000 1.065 40 R CB 1.772 32.118 30.300 0.077 0.000 1.172 40 R HN 0.985 nan 8.270 nan 0.000 0.510 41 S N 0.672 116.363 115.700 -0.016 0.000 2.393 41 S HA -0.290 4.180 4.470 0.000 0.000 0.234 41 S C 1.196 175.800 174.600 0.006 0.000 1.064 41 S CA 2.231 60.422 58.200 -0.016 0.000 1.088 41 S CB -0.659 62.514 63.200 -0.044 0.000 0.939 41 S HN 0.835 nan 8.310 nan 0.000 0.448 42 D N 0.372 120.776 120.400 0.006 0.000 2.269 42 D HA 0.306 4.946 4.640 0.000 0.000 0.208 42 D C 1.565 177.875 176.300 0.016 0.000 0.963 42 D CA 0.964 54.970 54.000 0.010 0.000 0.864 42 D CB -0.717 40.088 40.800 0.008 0.000 0.936 42 D HN 0.765 nan 8.370 nan 0.000 0.505 43 G N -1.199 107.617 108.800 0.027 0.000 2.336 43 G HA2 -0.205 3.756 3.960 0.000 0.000 0.194 43 G HA3 -0.205 3.756 3.960 0.000 0.000 0.194 43 G C 0.423 175.345 174.900 0.037 0.000 0.999 43 G CA 0.051 45.168 45.100 0.028 0.000 0.669 43 G HN 0.539 nan 8.290 nan 0.000 0.482 44 T N 1.399 115.977 114.554 0.039 0.000 2.918 44 T HA 0.572 4.922 4.350 0.000 0.000 0.302 44 T C 0.889 175.632 174.700 0.071 0.000 1.045 44 T CA 0.930 63.057 62.100 0.045 0.000 1.114 44 T CB 0.646 69.537 68.868 0.038 0.000 0.965 44 T HN 1.435 nan 8.240 nan 0.000 0.540 45 A N 4.127 126.988 122.820 0.069 0.000 2.409 45 A HA 0.488 4.808 4.320 0.000 0.000 0.267 45 A C 0.577 178.227 177.584 0.109 0.000 1.127 45 A CA -0.636 51.459 52.037 0.096 0.000 0.795 45 A CB -0.184 18.860 19.000 0.074 0.000 1.061 45 A HN 1.088 nan 8.150 nan 0.000 0.502 46 V N 2.204 122.216 119.914 0.163 0.000 2.637 46 V HA 0.633 4.753 4.120 0.000 0.000 0.296 46 V C 0.776 176.923 176.094 0.088 0.000 1.046 46 V CA 0.060 62.455 62.300 0.158 0.000 1.066 46 V CB 0.308 32.284 31.823 0.255 0.000 0.968 46 V HN 1.077 nan 8.190 nan 0.000 0.483 47 G N 2.834 111.665 108.800 0.050 0.000 2.568 47 G HA2 0.527 4.487 3.960 0.000 0.000 0.293 47 G HA3 0.527 4.487 3.960 0.000 0.000 0.293 47 G C -1.061 173.816 174.900 -0.037 0.000 1.347 47 G CA -0.653 44.452 45.100 0.009 0.000 1.039 47 G HN 0.791 nan 8.290 nan 0.000 0.523 48 D N -1.676 118.692 120.400 -0.052 0.000 2.277 48 D HA 0.557 5.197 4.640 0.000 0.000 0.250 48 D C -0.488 175.765 176.300 -0.078 0.000 1.032 48 D CA 0.014 53.961 54.000 -0.089 0.000 0.947 48 D CB 2.044 42.796 40.800 -0.080 0.000 1.159 48 D HN 0.100 nan 8.370 nan 0.000 0.460 49 V N 2.662 122.514 119.914 -0.102 0.000 2.501 49 V HA 0.271 4.391 4.120 0.000 0.000 0.277 49 V C -2.455 173.591 176.094 -0.079 0.000 1.004 49 V CA -1.572 60.677 62.300 -0.085 0.000 0.862 49 V CB 1.509 33.271 31.823 -0.101 0.000 1.035 49 V HN 0.433 nan 8.190 nan 0.000 0.448 50 P HA 0.208 nan 4.420 nan 0.000 0.257 50 P C 1.130 178.417 177.300 -0.022 0.000 1.189 50 P CA 1.854 64.932 63.100 -0.037 0.000 0.780 50 P CB 0.385 32.071 31.700 -0.023 0.000 0.772 51 G N 2.560 111.350 108.800 -0.016 0.000 2.397 51 G HA2 -0.254 3.706 3.960 0.000 0.000 0.211 51 G HA3 -0.254 3.706 3.960 0.000 0.000 0.211 51 G C 0.708 175.631 174.900 0.038 0.000 1.077 51 G CA 0.088 45.203 45.100 0.025 0.000 0.649 51 G HN 0.442 nan 8.290 nan 0.000 0.511 52 L N -0.412 120.793 121.223 -0.030 0.000 2.262 52 L HA 0.461 4.801 4.340 0.000 0.000 0.197 52 L C 1.383 178.184 176.870 -0.116 0.000 1.073 52 L CA 0.692 55.482 54.840 -0.084 0.000 0.800 52 L CB 0.187 42.114 42.059 -0.220 0.000 0.987 52 L HN 0.240 nan 8.230 nan 0.000 0.470 53 R N 0.566 120.948 120.500 -0.197 0.000 2.538 53 R HA 0.425 4.765 4.340 0.000 0.000 0.292 53 R C -1.543 174.553 176.300 -0.341 0.000 1.008 53 R CA -0.335 55.541 56.100 -0.372 0.000 0.896 53 R CB 1.741 31.817 30.300 -0.374 0.000 1.187 53 R HN 0.106 nan 8.270 nan 0.000 0.440 54 Q N 4.528 124.073 119.800 -0.426 0.000 2.323 54 Q HA 0.408 4.748 4.340 0.000 0.000 0.271 54 Q C -0.786 174.997 176.000 -0.362 0.000 1.048 54 Q CA -0.769 54.853 55.803 -0.302 0.000 0.792 54 Q CB 3.103 31.721 28.738 -0.200 0.000 1.280 54 Q HN 0.556 nan 8.270 nan 0.000 0.441 55 I N 1.650 122.066 120.570 -0.257 0.000 2.301 55 I HA 0.207 4.377 4.170 0.000 0.000 0.292 55 I C 0.264 176.314 176.117 -0.113 0.000 1.046 55 I CA 0.086 61.260 61.300 -0.210 0.000 1.282 55 I CB 1.202 39.143 38.000 -0.098 0.000 1.409 55 I HN 0.497 nan 8.210 nan 0.000 0.484 56 S N 3.780 119.418 115.700 -0.103 0.000 2.748 56 S HA 0.512 4.982 4.470 0.000 0.000 0.299 56 S C 0.308 174.912 174.600 0.007 0.000 1.119 56 S CA -0.510 57.660 58.200 -0.051 0.000 0.997 56 S CB 1.247 64.406 63.200 -0.068 0.000 1.223 56 S HN 0.569 nan 8.310 nan 0.000 0.541 57 S N 1.308 117.013 115.700 0.009 0.000 2.617 57 S HA 0.199 4.669 4.470 0.000 0.000 0.259 57 S C 0.052 174.682 174.600 0.050 0.000 1.301 57 S CA 0.050 58.266 58.200 0.028 0.000 0.984 57 S CB 0.051 63.261 63.200 0.015 0.000 0.954 57 S HN 0.862 nan 8.310 nan 0.000 0.572 58 D N -0.078 120.353 120.400 0.051 0.000 2.911 58 D HA -0.163 4.477 4.640 0.000 0.000 0.227 58 D C 0.808 177.170 176.300 0.104 0.000 1.164 58 D CA 1.579 55.615 54.000 0.060 0.000 0.782 58 D CB -1.490 39.340 40.800 0.049 0.000 1.094 58 D HN 1.173 nan 8.370 nan 0.000 0.425 59 G N 0.208 109.094 108.800 0.142 0.000 2.283 59 G HA2 -0.369 3.591 3.960 0.000 0.000 0.280 59 G HA3 -0.369 3.591 3.960 0.000 0.000 0.280 59 G C 0.199 175.386 174.900 0.479 0.000 1.029 59 G CA 0.759 46.027 45.100 0.280 0.000 0.840 59 G HN 0.533 nan 8.290 nan 0.000 0.505 60 K N -0.236 120.314 120.400 0.250 0.000 2.267 60 K HA 0.433 4.753 4.320 0.000 0.000 0.282 60 K C 0.004 176.533 176.600 -0.119 0.000 1.078 60 K CA -0.841 55.512 56.287 0.111 0.000 0.903 60 K CB 1.308 33.821 32.500 0.023 0.000 1.111 60 K HN 0.164 nan 8.250 nan 0.000 0.475 61 L N 4.997 125.952 121.223 -0.448 0.000 2.260 61 L HA 0.224 4.564 4.340 0.000 0.000 0.289 61 L C -0.939 175.486 176.870 -0.741 0.000 1.057 61 L CA -0.284 53.978 54.840 -0.963 0.000 0.811 61 L CB 1.101 41.988 42.059 -1.952 0.000 1.184 61 L HN 0.249 nan 8.230 nan 0.000 0.429 62 V N 6.364 125.866 119.914 -0.686 0.000 2.435 62 V HA 0.410 4.530 4.120 0.000 0.000 0.290 62 V C -0.521 175.180 176.094 -0.656 0.000 1.030 62 V CA -0.254 61.753 62.300 -0.487 0.000 0.881 62 V CB 1.277 32.938 31.823 -0.270 0.000 0.983 62 V HN 0.538 nan 8.190 nan 0.000 0.445 63 F N 5.917 125.757 119.950 -0.184 0.000 2.359 63 F HA 0.482 5.009 4.527 0.000 0.000 0.370 63 F C -2.182 173.677 175.800 0.099 0.000 1.077 63 F CA -2.388 55.599 58.000 -0.021 0.000 1.136 63 F CB 1.022 40.095 39.000 0.120 0.000 1.387 63 F HN 0.348 nan 8.300 nan 0.000 0.468 64 P HA 0.202 nan 4.420 nan 0.000 0.275 64 P C -2.529 175.012 177.300 0.402 0.000 1.266 64 P CA -1.377 61.853 63.100 0.217 0.000 0.793 64 P CB 0.063 31.837 31.700 0.123 0.000 1.074 65 P HA 0.162 nan 4.420 nan 0.000 0.268 65 P C -0.836 176.683 177.300 0.366 0.000 1.208 65 P CA 0.548 63.809 63.100 0.268 0.000 0.777 65 P CB 0.017 31.784 31.700 0.112 0.000 0.875 66 F N -1.657 118.339 119.950 0.077 0.000 2.779 66 F HA 0.635 5.162 4.527 0.000 0.000 0.316 66 F C -0.786 175.029 175.800 0.025 0.000 1.164 66 F CA -1.451 56.588 58.000 0.064 0.000 0.924 66 F CB 1.193 40.257 39.000 0.107 0.000 1.348 66 F HN 0.023 nan 8.300 nan 0.000 0.467 67 R N 0.592 121.190 120.500 0.165 0.000 2.573 67 R HA 0.710 5.050 4.340 0.000 0.000 0.272 67 R C 0.751 177.126 176.300 0.125 0.000 1.009 67 R CA -0.397 55.729 56.100 0.042 0.000 1.059 67 R CB 1.535 31.877 30.300 0.072 0.000 1.112 67 R HN 0.927 nan 8.270 nan 0.000 0.517 68 A N 1.936 124.773 122.820 0.027 0.000 1.873 68 A HA -0.295 4.025 4.320 0.000 0.000 0.218 68 A C 1.982 179.667 177.584 0.169 0.000 1.193 68 A CA 2.206 54.281 52.037 0.063 0.000 0.629 68 A CB -0.796 18.201 19.000 -0.005 0.000 0.826 68 A HN 0.958 nan 8.150 nan 0.000 0.447 69 E N -0.530 119.747 120.200 0.128 0.000 2.171 69 E HA -0.260 4.090 4.350 0.000 0.000 0.197 69 E C 0.796 177.504 176.600 0.179 0.000 0.997 69 E CA 1.468 57.946 56.400 0.131 0.000 0.810 69 E CB -0.537 29.216 29.700 0.088 0.000 0.738 69 E HN 0.569 nan 8.360 nan 0.000 0.467 70 D N 0.064 120.608 120.400 0.240 0.000 2.347 70 D HA -0.082 4.558 4.640 0.000 0.000 0.215 70 D C 0.048 176.498 176.300 0.251 0.000 0.976 70 D CA 0.303 54.448 54.000 0.242 0.000 0.884 70 D CB -0.285 40.690 40.800 0.291 0.000 0.915 70 D HN 0.253 nan 8.370 nan 0.000 0.526 71 Y N 2.218 122.666 120.300 0.248 0.000 2.620 71 Y HA 0.018 4.568 4.550 0.000 0.000 0.330 71 Y C 0.017 176.003 175.900 0.143 0.000 1.186 71 Y CA 0.284 58.505 58.100 0.201 0.000 1.467 71 Y CB 0.311 38.915 38.460 0.239 0.000 1.262 71 Y HN -0.293 nan 8.280 nan 0.000 0.550 72 R N 6.071 126.248 120.500 -0.537 0.000 2.510 72 R HA 0.068 4.409 4.340 0.000 0.000 0.294 72 R C 0.675 176.620 176.300 -0.591 0.000 1.056 72 R CA -0.682 55.163 56.100 -0.425 0.000 0.918 72 R CB 1.716 31.899 30.300 -0.194 0.000 1.187 72 R HN 0.872 nan 8.270 nan 0.000 0.437 73 Q N 2.788 122.344 119.800 -0.405 0.000 2.062 73 Q HA -0.302 4.038 4.340 0.000 0.000 0.209 73 Q C 1.283 177.187 176.000 -0.160 0.000 0.996 73 Q CA 2.686 58.368 55.803 -0.202 0.000 0.859 73 Q CB 0.180 28.919 28.738 0.002 0.000 0.920 73 Q HN 0.735 nan 8.270 nan 0.000 0.415 74 E N -1.128 118.995 120.200 -0.129 0.000 2.147 74 E HA -0.227 4.123 4.350 0.000 0.000 0.199 74 E C 1.752 178.296 176.600 -0.093 0.000 1.005 74 E CA 1.897 58.240 56.400 -0.096 0.000 0.810 74 E CB -0.219 29.439 29.700 -0.071 0.000 0.736 74 E HN 0.279 nan 8.360 nan 0.000 0.460 75 V N 0.073 119.895 119.914 -0.153 0.000 2.690 75 V HA -0.040 4.080 4.120 0.000 0.000 0.240 75 V C 1.399 177.419 176.094 -0.123 0.000 1.078 75 V CA 1.331 63.573 62.300 -0.097 0.000 1.102 75 V CB -0.247 31.389 31.823 -0.312 0.000 0.800 75 V HN 0.294 nan 8.190 nan 0.000 0.479 76 H N -0.122 118.824 119.070 -0.207 0.000 2.539 76 H HA 0.548 5.104 4.556 0.000 0.000 0.269 76 H C 0.669 175.936 175.328 -0.102 0.000 0.980 76 H CA 0.598 56.510 56.048 -0.228 0.000 1.152 76 H CB 0.345 29.871 29.762 -0.394 0.000 1.407 76 H HN 0.398 nan 8.280 nan 0.000 0.564 77 A N 0.985 123.811 122.820 0.009 0.000 3.409 77 A HA 0.344 4.664 4.320 0.000 0.000 0.282 77 A C -0.583 176.991 177.584 -0.016 0.000 1.064 77 A CA -0.486 51.585 52.037 0.056 0.000 0.889 77 A CB 0.388 19.472 19.000 0.140 0.000 1.251 77 A HN 0.206 nan 8.150 nan 0.000 0.538 78 Q N -0.118 119.636 119.800 -0.076 0.000 2.456 78 Q HA 0.643 4.983 4.340 0.000 0.000 0.283 78 Q C -1.579 174.227 176.000 -0.322 0.000 1.084 78 Q CA -0.494 55.143 55.803 -0.276 0.000 0.801 78 Q CB 2.321 30.728 28.738 -0.553 0.000 1.434 78 Q HN 0.375 nan 8.270 nan 0.000 0.419 79 V N 4.219 123.930 119.914 -0.338 0.000 2.304 79 V HA 0.360 4.480 4.120 0.000 0.000 0.262 79 V C -0.809 175.127 176.094 -0.263 0.000 1.061 79 V CA -0.378 61.781 62.300 -0.235 0.000 0.872 79 V CB -0.673 31.066 31.823 -0.140 0.000 1.077 79 V HN 0.628 nan 8.190 nan 0.000 0.480 80 Y N 2.366 122.709 120.300 0.071 0.000 2.458 80 Y HA 0.808 5.359 4.550 0.000 0.000 0.322 80 Y C 0.509 176.519 175.900 0.184 0.000 1.259 80 Y CA -0.658 57.543 58.100 0.168 0.000 1.302 80 Y CB 1.631 40.238 38.460 0.245 0.000 1.314 80 Y HN 0.630 nan 8.280 nan 0.000 0.509 81 A N 0.203 123.307 122.820 0.473 0.000 2.555 81 A HA 0.468 4.788 4.320 0.000 0.000 0.297 81 A C -1.552 176.149 177.584 0.195 0.000 1.060 81 A CA -0.852 51.356 52.037 0.285 0.000 0.710 81 A CB 0.422 19.517 19.000 0.158 0.000 1.282 81 A HN 0.899 nan 8.150 nan 0.000 0.399 82 c N 3.326 121.830 118.600 -0.160 0.000 2.435 82 c HA 0.746 5.316 4.570 0.000 0.000 0.375 82 c C -0.296 173.679 174.090 -0.192 0.000 1.281 82 c CA -0.307 55.605 56.329 -0.695 0.000 1.963 82 c CB -0.328 41.537 42.510 -1.075 0.000 2.490 82 c HN 1.134 nan 8.230 nan 0.000 0.557 83 L N 7.169 128.274 121.223 -0.197 0.000 2.345 83 L HA 0.728 5.068 4.340 0.000 0.000 0.274 83 L C 0.056 176.862 176.870 -0.107 0.000 0.999 83 L CA -0.218 54.602 54.840 -0.032 0.000 0.849 83 L CB 0.745 42.794 42.059 -0.016 0.000 1.220 83 L HN 0.914 nan 8.230 nan 0.000 0.422 84 A N 5.779 128.515 122.820 -0.140 0.000 2.301 84 A HA 0.898 5.218 4.320 0.000 0.000 0.312 84 A C -0.345 177.110 177.584 -0.216 0.000 1.182 84 A CA -0.600 51.291 52.037 -0.244 0.000 0.826 84 A CB 0.674 19.407 19.000 -0.445 0.000 1.134 84 A HN 0.817 nan 8.150 nan 0.000 0.501 85 R N 1.783 122.195 120.500 -0.146 0.000 2.594 85 R HA 0.369 4.709 4.340 0.000 0.000 0.265 85 R C -1.727 174.536 176.300 -0.061 0.000 1.070 85 R CA -0.483 55.558 56.100 -0.098 0.000 0.909 85 R CB 1.275 31.534 30.300 -0.069 0.000 1.243 85 R HN 0.970 nan 8.270 nan 0.000 0.455 86 N N 1.429 120.111 118.700 -0.031 0.000 2.577 86 N HA 0.086 4.826 4.740 0.000 0.000 0.285 86 N C 0.228 175.756 175.510 0.029 0.000 1.309 86 N CA -0.682 52.372 53.050 0.008 0.000 0.798 86 N CB 0.886 39.393 38.487 0.033 0.000 1.463 86 N HN 0.674 nan 8.380 nan 0.000 0.518 87 Q N -1.021 118.797 119.800 0.030 0.000 2.308 87 Q HA -0.048 4.292 4.340 0.000 0.000 0.209 87 Q C 0.786 176.770 176.000 -0.026 0.000 0.985 87 Q CA 1.579 57.376 55.803 -0.009 0.000 0.881 87 Q CB -0.523 28.196 28.738 -0.031 0.000 0.917 87 Q HN 0.572 nan 8.270 nan 0.000 0.443 88 F N 0.231 120.160 119.950 -0.035 0.000 2.293 88 F HA 0.293 4.820 4.527 0.000 0.000 0.297 88 F C 1.286 177.060 175.800 -0.043 0.000 1.089 88 F CA 1.368 59.349 58.000 -0.031 0.000 1.377 88 F CB 0.385 39.368 39.000 -0.028 0.000 1.051 88 F HN 0.297 nan 8.300 nan 0.000 0.511 89 G N -1.653 107.229 108.800 0.137 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 -1.654 173.235 174.900 -0.019 0.000 1.313 89 G CA -0.651 44.474 45.100 0.041 0.000 0.830 89 G HN -0.053 nan 8.290 nan 0.000 0.506 90 S N -0.603 115.065 115.700 -0.053 0.000 2.548 90 S HA 0.807 5.277 4.470 0.000 0.000 0.286 90 S C -0.526 174.022 174.600 -0.086 0.000 1.098 90 S CA -0.617 57.539 58.200 -0.073 0.000 0.930 90 S CB 1.495 64.659 63.200 -0.059 0.000 1.070 90 S HN 1.212 nan 8.310 nan 0.000 0.480 91 I N 0.041 120.548 120.570 -0.106 0.000 2.610 91 I HA 0.602 4.772 4.170 0.000 0.000 0.289 91 I C -0.955 175.219 176.117 0.095 0.000 1.163 91 I CA -1.189 60.083 61.300 -0.046 0.000 1.044 91 I CB 1.462 39.365 38.000 -0.161 0.000 1.251 91 I HN 0.697 nan 8.210 nan 0.000 0.424 92 I N 2.546 123.245 120.570 0.215 0.000 2.359 92 I HA 0.642 4.812 4.170 0.000 0.000 0.294 92 I C 0.685 177.045 176.117 0.404 0.000 0.987 92 I CA -0.327 61.140 61.300 0.279 0.000 1.225 92 I CB 1.813 39.895 38.000 0.137 0.000 1.366 92 I HN 0.793 nan 8.210 nan 0.000 0.466 93 S N 5.622 121.439 115.700 0.196 0.000 2.626 93 S HA 0.327 4.798 4.470 0.000 0.000 0.257 93 S C 0.482 175.020 174.600 -0.103 0.000 1.288 93 S CA -0.771 57.232 58.200 -0.329 0.000 0.980 93 S CB 0.515 63.307 63.200 -0.679 0.000 0.975 93 S HN 0.912 nan 8.310 nan 0.000 0.577 94 R N 0.179 120.485 120.500 -0.322 0.000 2.863 94 R HA 0.207 4.547 4.340 0.000 0.000 0.273 94 R C -1.163 175.049 176.300 -0.147 0.000 1.057 94 R CA -0.390 55.503 56.100 -0.345 0.000 1.191 94 R CB -0.453 29.623 30.300 -0.374 0.000 1.104 94 R HN 0.516 nan 8.270 nan 0.000 0.519 95 D N 0.684 121.008 120.400 -0.128 0.000 2.389 95 D HA 0.159 4.799 4.640 0.000 0.000 0.247 95 D C -0.593 175.630 176.300 -0.129 0.000 1.128 95 D CA -0.150 53.780 54.000 -0.115 0.000 0.884 95 D CB 1.226 41.909 40.800 -0.195 0.000 1.194 95 D HN 0.255 nan 8.370 nan 0.000 0.441 96 V N 3.183 123.064 119.914 -0.055 0.000 2.334 96 V HA 0.144 4.264 4.120 0.000 0.000 0.281 96 V C -0.377 175.721 176.094 0.007 0.000 1.016 96 V CA -0.785 61.546 62.300 0.053 0.000 0.832 96 V CB 0.637 32.601 31.823 0.235 0.000 0.999 96 V HN 0.469 nan 8.190 nan 0.000 0.439 97 H N 2.807 121.949 119.070 0.120 0.000 2.864 97 H HA 0.414 4.970 4.556 0.000 0.000 0.281 97 H C -0.158 175.248 175.328 0.129 0.000 1.093 97 H CA -0.209 55.899 56.048 0.100 0.000 1.453 97 H CB 1.110 30.913 29.762 0.068 0.000 1.462 97 H HN 0.424 nan 8.280 nan 0.000 0.480 98 V N 4.932 124.982 119.914 0.227 0.000 2.383 98 V HA 0.267 4.387 4.120 0.000 0.000 0.275 98 V C 0.252 176.415 176.094 0.114 0.000 1.036 98 V CA -0.502 61.901 62.300 0.170 0.000 0.889 98 V CB 0.953 32.839 31.823 0.105 0.000 0.985 98 V HN 0.738 nan 8.190 nan 0.000 0.459 99 R N 4.611 125.175 120.500 0.107 0.000 2.487 99 R HA 0.647 4.987 4.340 0.000 0.000 0.288 99 R C -0.305 175.876 176.300 -0.198 0.000 1.394 99 R CA -0.321 55.804 56.100 0.042 0.000 1.155 99 R CB 0.939 31.323 30.300 0.139 0.000 1.156 99 R HN 0.768 nan 8.270 nan 0.000 0.553 100 A N 3.193 125.800 122.820 -0.355 0.000 2.366 100 A HA 0.490 4.810 4.320 0.000 0.000 0.272 100 A C -0.533 176.900 177.584 -0.252 0.000 1.135 100 A CA -0.358 51.250 52.037 -0.714 0.000 0.804 100 A CB 0.959 19.643 19.000 -0.527 0.000 1.064 100 A HN 0.421 nan 8.150 nan 0.000 0.499 101 V N 4.188 123.862 119.914 -0.400 0.000 2.443 101 V HA 0.230 4.350 4.120 0.000 0.000 0.293 101 V C 0.016 175.902 176.094 -0.347 0.000 1.021 101 V CA -0.706 61.386 62.300 -0.348 0.000 0.848 101 V CB 1.476 32.972 31.823 -0.544 0.000 0.998 101 V HN 0.652 nan 8.190 nan 0.000 0.424 102 V N 4.002 123.718 119.914 -0.329 0.000 2.529 102 V HA 0.263 4.383 4.120 0.000 0.000 0.292 102 V C 1.180 177.125 176.094 -0.248 0.000 1.028 102 V CA 0.010 62.119 62.300 -0.319 0.000 1.074 102 V CB 1.254 32.904 31.823 -0.289 0.000 0.958 102 V HN 1.055 nan 8.190 nan 0.000 0.481 103 A N 5.420 128.088 122.820 -0.253 0.000 2.526 103 A HA 0.156 4.476 4.320 0.000 0.000 0.287 103 A C 0.270 177.785 177.584 -0.115 0.000 1.232 103 A CA 0.379 52.285 52.037 -0.219 0.000 0.900 103 A CB -0.491 18.377 19.000 -0.220 0.000 1.077 103 A HN 0.886 nan 8.150 nan 0.000 0.535 104 Q N 1.468 121.240 119.800 -0.047 0.000 2.248 104 Q HA 0.500 4.840 4.340 0.000 0.000 0.263 104 Q C -0.957 175.158 176.000 0.191 0.000 1.007 104 Q CA -0.837 55.003 55.803 0.060 0.000 0.877 104 Q CB 1.227 30.002 28.738 0.062 0.000 1.315 104 Q HN 0.718 nan 8.270 nan 0.000 0.454 105 Y N 2.685 123.049 120.300 0.105 0.000 2.336 105 Y HA 0.299 4.849 4.550 0.000 0.000 0.331 105 Y C -1.411 174.661 175.900 0.287 0.000 1.211 105 Y CA -0.225 57.969 58.100 0.156 0.000 1.346 105 Y CB 0.343 38.846 38.460 0.070 0.000 1.271 105 Y HN 0.548 nan 8.280 nan 0.000 0.538 106 Y N 2.317 122.201 120.300 -0.694 0.000 2.544 106 Y HA 0.602 5.152 4.550 0.000 0.000 0.342 106 Y C -1.879 173.535 175.900 -0.810 0.000 1.062 106 Y CA -1.267 56.433 58.100 -0.666 0.000 1.023 106 Y CB 1.367 39.681 38.460 -0.243 0.000 1.308 106 Y HN 0.634 nan 8.280 nan 0.000 0.457 107 E N 2.757 122.505 120.200 -0.753 0.000 2.241 107 E HA 0.760 5.110 4.350 0.000 0.000 0.263 107 E C -1.327 175.097 176.600 -0.293 0.000 0.882 107 E CA -1.313 54.753 56.400 -0.557 0.000 0.769 107 E CB 2.198 31.721 29.700 -0.294 0.000 1.185 107 E HN 0.934 nan 8.360 nan 0.000 0.415 108 A N 3.670 126.331 122.820 -0.265 0.000 2.371 108 A HA 0.309 4.629 4.320 0.000 0.000 0.257 108 A C -0.482 177.048 177.584 -0.090 0.000 1.089 108 A CA -0.382 51.581 52.037 -0.123 0.000 0.794 108 A CB 0.437 19.375 19.000 -0.104 0.000 1.029 108 A HN 0.710 nan 8.150 nan 0.000 0.488 109 D N 0.313 120.685 120.400 -0.046 0.000 2.340 109 D HA 0.551 5.191 4.640 0.000 0.000 0.240 109 D C -1.184 175.135 176.300 0.032 0.000 1.001 109 D CA -0.086 53.909 54.000 -0.009 0.000 0.888 109 D CB 2.093 42.894 40.800 0.003 0.000 1.310 109 D HN 0.166 nan 8.370 nan 0.000 0.474 110 V N 2.934 122.888 119.914 0.067 0.000 2.447 110 V HA 0.272 4.392 4.120 0.000 0.000 0.292 110 V C -0.146 176.020 176.094 0.119 0.000 1.021 110 V CA -0.912 61.474 62.300 0.142 0.000 0.850 110 V CB 1.561 33.527 31.823 0.239 0.000 1.005 110 V HN 0.393 nan 8.190 nan 0.000 0.426 111 N N 2.632 121.397 118.700 0.109 0.000 2.478 111 N HA 0.451 5.191 4.740 0.000 0.000 0.275 111 N C -0.189 175.367 175.510 0.077 0.000 1.221 111 N CA -0.771 52.328 53.050 0.082 0.000 0.979 111 N CB 1.155 39.687 38.487 0.074 0.000 1.202 111 N HN 0.506 nan 8.380 nan 0.000 0.564 112 K N 0.726 121.155 120.400 0.048 0.000 2.484 112 K HA -0.020 4.300 4.320 0.000 0.000 0.280 112 K C -0.164 176.434 176.600 -0.003 0.000 1.013 112 K CA 0.486 56.767 56.287 -0.010 0.000 1.029 112 K CB 0.269 32.737 32.500 -0.053 0.000 0.902 112 K HN 0.397 nan 8.250 nan 0.000 0.481 113 E N 2.736 122.906 120.200 -0.050 0.000 2.165 113 E HA 0.141 4.491 4.350 0.000 0.000 0.266 113 E C -1.231 175.317 176.600 -0.086 0.000 0.889 113 E CA -0.540 55.858 56.400 -0.004 0.000 0.756 113 E CB 0.639 30.349 29.700 0.016 0.000 1.131 113 E HN 0.426 nan 8.360 nan 0.000 0.411 114 H N 3.043 122.130 119.070 0.029 0.000 2.489 114 H HA 0.463 5.019 4.556 0.000 0.000 0.322 114 H C -0.346 174.993 175.328 0.019 0.000 1.091 114 H CA -0.625 55.437 56.048 0.024 0.000 1.291 114 H CB 1.161 30.936 29.762 0.021 0.000 1.436 114 H HN 0.340 nan 8.280 nan 0.000 0.480 115 V N 1.625 121.603 119.914 0.105 0.000 2.789 115 V HA 0.421 4.541 4.120 0.000 0.000 0.311 115 V C 0.103 176.233 176.094 0.061 0.000 1.073 115 V CA -1.097 61.243 62.300 0.067 0.000 0.921 115 V CB 2.315 34.153 31.823 0.025 0.000 1.009 115 V HN 0.589 nan 8.190 nan 0.000 0.426 116 I N 3.431 124.036 120.570 0.058 0.000 2.322 116 I HA 0.330 4.500 4.170 0.000 0.000 0.292 116 I C 1.041 177.185 176.117 0.046 0.000 1.060 116 I CA -0.339 60.986 61.300 0.042 0.000 1.309 116 I CB 0.718 38.753 38.000 0.059 0.000 1.415 116 I HN 0.838 nan 8.210 nan 0.000 0.492 117 R N 5.745 126.254 120.500 0.016 0.000 2.695 117 R HA -0.114 4.226 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 1.489 57.603 56.100 0.023 0.000 1.135 117 R CB -0.125 30.173 30.300 -0.004 0.000 0.882 117 R HN 1.024 nan 8.270 nan 0.000 0.413 118 G N 3.035 111.873 108.800 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 0.014 174.954 174.900 0.065 0.000 1.053 118 G CA -0.049 45.101 45.100 0.082 0.000 0.707 118 G HN 0.654 nan 8.290 nan 0.000 0.497 119 N N 0.994 119.741 118.700 0.079 0.000 2.326 119 N HA 0.418 5.158 4.740 0.000 0.000 0.239 119 N C -0.141 175.377 175.510 0.013 0.000 1.301 119 N CA 0.677 53.773 53.050 0.077 0.000 0.909 119 N CB 0.508 39.054 38.487 0.099 0.000 1.156 119 N HN 0.319 nan 8.380 nan 0.000 0.462 120 S N 0.072 115.771 115.700 -0.001 0.000 2.585 120 S HA 0.490 4.960 4.470 0.000 0.000 0.277 120 S C -0.168 174.322 174.600 -0.184 0.000 1.241 120 S CA -0.852 57.265 58.200 -0.137 0.000 1.041 120 S CB 1.536 64.640 63.200 -0.160 0.000 0.987 120 S HN 0.626 nan 8.310 nan 0.000 0.512 121 A N 1.896 124.531 122.820 -0.308 0.000 2.320 121 A HA 0.772 5.092 4.320 0.000 0.000 0.334 121 A C -0.957 176.419 177.584 -0.347 0.000 1.147 121 A CA -0.652 51.232 52.037 -0.255 0.000 0.820 121 A CB 0.869 19.740 19.000 -0.215 0.000 1.218 121 A HN 0.621 nan 8.150 nan 0.000 0.482 122 V N 3.864 123.660 119.914 -0.197 0.000 2.398 122 V HA 0.220 4.340 4.120 0.000 0.000 0.282 122 V C -0.747 175.266 176.094 -0.134 0.000 1.014 122 V CA -0.401 61.808 62.300 -0.152 0.000 0.838 122 V CB 1.024 32.832 31.823 -0.025 0.000 1.018 122 V HN 0.703 nan 8.190 nan 0.000 0.432 123 I N 4.752 125.168 120.570 -0.258 0.000 2.379 123 I HA 0.318 4.488 4.170 0.000 0.000 0.290 123 I C 0.529 176.599 176.117 -0.078 0.000 1.063 123 I CA -0.054 61.110 61.300 -0.227 0.000 1.351 123 I CB 0.730 38.444 38.000 -0.478 0.000 1.410 123 I HN 0.547 nan 8.210 nan 0.000 0.505 124 K N 5.042 125.515 120.400 0.122 0.000 2.156 124 K HA 0.348 4.668 4.320 0.000 0.000 0.271 124 K C -0.490 176.333 176.600 0.371 0.000 0.995 124 K CA -0.503 55.926 56.287 0.237 0.000 0.890 124 K CB 1.923 34.505 32.500 0.137 0.000 1.073 124 K HN 0.606 nan 8.250 nan 0.000 0.454 125 c N 5.805 124.635 118.600 0.384 0.000 2.168 125 c HA 0.329 4.899 4.570 0.000 0.000 0.333 125 c C 0.029 174.159 174.090 0.066 0.000 1.106 125 c CA -0.781 55.650 56.329 0.170 0.000 1.574 125 c CB -1.530 40.916 42.510 -0.106 0.000 2.055 125 c HN 0.718 nan 8.230 nan 0.000 0.473 126 L N 7.353 128.609 121.223 0.055 0.000 2.456 126 L HA 0.344 4.684 4.340 0.000 0.000 0.277 126 L C 0.260 177.115 176.870 -0.026 0.000 1.124 126 L CA 0.440 55.289 54.840 0.015 0.000 0.880 126 L CB 0.248 42.321 42.059 0.022 0.000 1.192 126 L HN 0.576 nan 8.230 nan 0.000 0.463 127 I N 5.307 125.846 120.570 -0.051 0.000 2.412 127 I HA 0.314 4.484 4.170 0.000 0.000 0.296 127 I C -1.901 174.117 176.117 -0.166 0.000 0.987 127 I CA -2.178 59.072 61.300 -0.084 0.000 1.180 127 I CB 1.689 39.634 38.000 -0.091 0.000 1.340 127 I HN 0.344 nan 8.210 nan 0.000 0.455 128 P HA -0.023 nan 4.420 nan 0.000 0.260 128 P C 0.846 177.814 177.300 -0.554 0.000 1.185 128 P CA 0.132 62.925 63.100 -0.511 0.000 0.763 128 P CB 0.540 31.692 31.700 -0.914 0.000 0.776 129 S N 3.788 119.288 115.700 -0.334 0.000 2.380 129 S HA -0.287 4.183 4.470 0.000 0.000 0.229 129 S C 1.617 176.104 174.600 -0.189 0.000 1.043 129 S CA 1.721 59.806 58.200 -0.193 0.000 1.038 129 S CB -1.561 61.605 63.200 -0.057 0.000 0.872 129 S HN 0.522 nan 8.310 nan 0.000 0.456 130 F N 2.412 122.331 119.950 -0.051 0.000 2.546 130 F HA 0.271 4.798 4.527 0.000 0.000 0.298 130 F C 1.786 177.556 175.800 -0.050 0.000 1.120 130 F CA 0.380 58.352 58.000 -0.046 0.000 1.456 130 F CB -0.777 38.212 39.000 -0.019 0.000 1.088 130 F HN 0.238 nan 8.300 nan 0.000 0.572 131 V N -2.910 116.814 119.914 -0.317 0.000 3.528 131 V HA 0.561 4.681 4.120 0.000 0.000 0.294 131 V C 2.181 178.081 176.094 -0.322 0.000 1.404 131 V CA 0.093 62.276 62.300 -0.196 0.000 1.065 131 V CB -0.481 31.193 31.823 -0.249 0.000 0.904 131 V HN 0.273 nan 8.190 nan 0.000 0.435 132 A N 1.797 124.421 122.820 -0.328 0.000 1.894 132 A HA -0.342 3.978 4.320 0.000 0.000 0.220 132 A C 1.793 179.142 177.584 -0.392 0.000 1.237 132 A CA 2.872 54.726 52.037 -0.306 0.000 0.660 132 A CB -1.136 17.720 19.000 -0.240 0.000 0.835 132 A HN 0.579 nan 8.150 nan 0.000 0.461 133 D N -1.103 118.962 120.400 -0.558 0.000 2.239 133 D HA -0.154 4.486 4.640 0.000 0.000 0.202 133 D C 0.917 176.703 176.300 -0.858 0.000 0.993 133 D CA 1.348 54.871 54.000 -0.795 0.000 0.874 133 D CB -0.345 39.751 40.800 -1.173 0.000 0.922 133 D HN 0.598 nan 8.370 nan 0.000 0.464 134 F N -0.728 119.038 119.950 -0.307 0.000 2.706 134 F HA 0.265 4.792 4.527 0.000 0.000 0.313 134 F C 0.219 175.632 175.800 -0.644 0.000 1.096 134 F CA -0.410 57.308 58.000 -0.471 0.000 1.219 134 F CB 0.576 39.215 39.000 -0.603 0.000 1.051 134 F HN -0.331 nan 8.300 nan 0.000 0.568 135 V N 1.674 121.360 119.914 -0.379 0.000 2.638 135 V HA 0.460 4.580 4.120 0.000 0.000 0.306 135 V C -0.499 175.484 176.094 -0.184 0.000 1.052 135 V CA -0.945 61.151 62.300 -0.340 0.000 0.885 135 V CB 2.186 33.727 31.823 -0.469 0.000 0.999 135 V HN 0.265 nan 8.190 nan 0.000 0.424 136 E N 3.391 123.530 120.200 -0.103 0.000 2.416 136 E HA 0.733 5.083 4.350 0.000 0.000 0.273 136 E C -1.533 175.043 176.600 -0.040 0.000 0.935 136 E CA -0.997 55.366 56.400 -0.062 0.000 0.784 136 E CB 2.297 31.972 29.700 -0.042 0.000 1.301 136 E HN 0.233 nan 8.360 nan 0.000 0.454 137 V N 1.744 121.633 119.914 -0.043 0.000 2.614 137 V HA 0.030 4.150 4.120 0.000 0.000 0.291 137 V C 0.645 176.711 176.094 -0.046 0.000 1.049 137 V CA -0.024 62.223 62.300 -0.088 0.000 1.038 137 V CB 1.197 32.964 31.823 -0.093 0.000 0.980 137 V HN 0.713 nan 8.190 nan 0.000 0.481 138 V N 2.404 122.269 119.914 -0.081 0.000 2.854 138 V HA 0.241 4.361 4.120 0.000 0.000 0.236 138 V C 0.526 176.577 176.094 -0.072 0.000 1.157 138 V CA 0.986 63.280 62.300 -0.010 0.000 1.187 138 V CB 0.846 32.687 31.823 0.029 0.000 0.949 138 V HN 0.934 nan 8.190 nan 0.000 0.488 139 S N -2.117 113.435 115.700 -0.248 0.000 2.547 139 S HA 0.585 5.055 4.470 0.000 0.000 0.270 139 S C -1.960 172.342 174.600 -0.496 0.000 1.150 139 S CA -0.833 57.070 58.200 -0.495 0.000 0.850 139 S CB 1.268 63.789 63.200 -1.133 0.000 1.118 139 S HN 0.210 nan 8.310 nan 0.000 0.461 140 W N 1.234 122.262 121.300 -0.453 0.000 2.516 140 W HA 0.643 5.303 4.660 0.000 0.000 0.343 140 W C 0.349 176.487 176.519 -0.634 0.000 1.094 140 W CA -0.160 57.019 57.345 -0.277 0.000 1.250 140 W CB 1.117 30.551 29.460 -0.044 0.000 1.308 140 W HN 0.633 nan 8.180 nan 0.000 0.588 141 H N 0.655 119.796 119.070 0.119 0.000 2.771 141 H HA 0.355 4.911 4.556 0.000 0.000 0.361 141 H C -0.299 175.055 175.328 0.043 0.000 1.108 141 H CA -0.739 55.280 56.048 -0.048 0.000 1.201 141 H CB 1.929 31.638 29.762 -0.088 0.000 1.681 141 H HN 0.330 nan 8.280 nan 0.000 0.534 142 T N -1.633 112.937 114.554 0.026 0.000 2.925 142 T HA 0.075 4.425 4.350 0.000 0.000 0.285 142 T C 0.980 175.665 174.700 -0.025 0.000 1.021 142 T CA -0.775 61.335 62.100 0.016 0.000 1.042 142 T CB 1.506 70.359 68.868 -0.025 0.000 1.037 142 T HN 0.601 nan 8.240 nan 0.000 0.481 143 D N 0.498 120.864 120.400 -0.057 0.000 2.263 143 D HA -0.141 4.499 4.640 0.000 0.000 0.208 143 D C 1.244 177.530 176.300 -0.023 0.000 0.971 143 D CA 0.923 54.894 54.000 -0.049 0.000 0.867 143 D CB -0.363 40.388 40.800 -0.082 0.000 0.929 143 D HN 0.806 nan 8.370 nan 0.000 0.492 144 E N 0.309 120.504 120.200 -0.008 0.000 2.511 144 E HA -0.045 4.305 4.350 0.000 0.000 0.196 144 E C -0.343 176.246 176.600 -0.017 0.000 1.066 144 E CA 0.177 56.587 56.400 0.017 0.000 0.871 144 E CB -0.224 29.503 29.700 0.045 0.000 0.863 144 E HN 0.366 nan 8.360 nan 0.000 0.520 145 E N 0.752 120.930 120.200 -0.036 0.000 2.257 145 E HA -0.192 4.158 4.350 0.000 0.000 0.217 145 E C -0.936 175.609 176.600 -0.092 0.000 1.248 145 E CA 0.543 56.917 56.400 -0.042 0.000 0.691 145 E CB -1.430 28.260 29.700 -0.017 0.000 1.185 145 E HN 0.402 nan 8.360 nan 0.000 0.377 146 E N 0.703 120.785 120.200 -0.197 0.000 2.212 146 E HA 0.453 4.803 4.350 0.000 0.000 0.268 146 E C -0.322 175.904 176.600 -0.625 0.000 0.902 146 E CA -0.575 55.593 56.400 -0.385 0.000 0.779 146 E CB 1.470 30.881 29.700 -0.482 0.000 1.172 146 E HN 0.149 nan 8.360 nan 0.000 0.409 147 N N 2.366 120.705 118.700 -0.602 0.000 2.483 147 N HA 0.212 4.952 4.740 0.000 0.000 0.267 147 N C -1.492 173.625 175.510 -0.656 0.000 0.998 147 N CA -0.496 52.176 53.050 -0.630 0.000 0.918 147 N CB 0.920 39.268 38.487 -0.233 0.000 1.215 147 N HN 0.331 nan 8.380 nan 0.000 0.500 148 Y N 2.371 122.397 120.300 -0.457 0.000 2.404 148 Y HA 0.366 4.916 4.550 0.000 0.000 0.344 148 Y C 0.039 175.875 175.900 -0.107 0.000 0.970 148 Y CA -0.640 57.192 58.100 -0.446 0.000 1.180 148 Y CB 0.066 38.290 38.460 -0.393 0.000 1.138 148 Y HN 0.381 nan 8.280 nan 0.000 0.510 149 F N 4.256 124.411 119.950 0.342 0.000 2.403 149 F HA 0.588 5.115 4.527 0.000 0.000 0.326 149 F C -1.864 174.127 175.800 0.319 0.000 1.099 149 F CA -2.239 55.928 58.000 0.278 0.000 1.036 149 F CB 0.602 39.732 39.000 0.216 0.000 1.336 149 F HN 0.295 nan 8.300 nan 0.000 0.497 150 P HA 0.495 nan 4.420 nan 0.000 0.277 150 P C -0.238 177.175 177.300 0.189 0.000 1.240 150 P CA -0.040 63.216 63.100 0.260 0.000 0.798 150 P CB 1.162 32.978 31.700 0.194 0.000 0.979 151 G N -0.387 108.471 108.800 0.096 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 -0.784 174.093 174.900 -0.039 0.000 1.345 151 G CA -0.184 44.925 45.100 0.014 0.000 1.100 151 G HN 0.582 nan 8.290 nan 0.000 0.473 152 A N -0.246 122.513 122.820 -0.101 0.000 2.346 152 A HA 0.610 4.930 4.320 0.000 0.000 0.255 152 A C 0.590 178.070 177.584 -0.173 0.000 1.113 152 A CA 1.037 52.998 52.037 -0.126 0.000 0.798 152 A CB 0.090 19.011 19.000 -0.131 0.000 1.073 152 A HN 0.995 nan 8.150 nan 0.000 0.502 153 E N -0.734 119.392 120.200 -0.124 0.000 2.313 153 E HA 0.332 4.682 4.350 0.000 0.000 0.276 153 E C -1.398 175.142 176.600 -0.101 0.000 1.031 153 E CA -0.107 56.254 56.400 -0.066 0.000 0.857 153 E CB 0.302 29.987 29.700 -0.024 0.000 1.040 153 E HN 0.481 nan 8.360 nan 0.000 0.408 154 Y N 2.747 123.078 120.300 0.053 0.000 2.319 154 Y HA 0.037 4.587 4.550 0.000 0.000 0.328 154 Y C 0.634 176.593 175.900 0.099 0.000 1.133 154 Y CA -0.149 58.007 58.100 0.093 0.000 1.265 154 Y CB 0.870 39.401 38.460 0.119 0.000 1.218 154 Y HN 0.648 nan 8.280 nan 0.000 0.508 155 D N 1.703 122.248 120.400 0.240 0.000 2.845 155 D HA -0.227 4.413 4.640 0.000 0.000 0.229 155 D C 1.283 177.643 176.300 0.101 0.000 1.170 155 D CA 1.477 55.584 54.000 0.178 0.000 0.717 155 D CB -1.285 39.665 40.800 0.250 0.000 1.073 155 D HN 1.121 nan 8.370 nan 0.000 0.424 156 G N 0.311 109.150 108.800 0.065 0.000 2.296 156 G HA2 -0.410 3.550 3.960 0.000 0.000 0.282 156 G HA3 -0.410 3.550 3.960 0.000 0.000 0.282 156 G C 0.780 175.668 174.900 -0.021 0.000 1.014 156 G CA 1.698 46.808 45.100 0.016 0.000 0.812 156 G HN 0.657 nan 8.290 nan 0.000 0.508 157 K N -1.895 118.481 120.400 -0.039 0.000 2.757 157 K HA 0.278 4.598 4.320 0.000 0.000 0.201 157 K C 0.066 176.472 176.600 -0.323 0.000 1.495 157 K CA -0.418 55.733 56.287 -0.227 0.000 1.090 157 K CB 0.480 32.750 32.500 -0.382 0.000 1.796 157 K HN 0.200 nan 8.250 nan 0.000 0.523 158 Y N 1.929 122.132 120.300 -0.162 0.000 2.316 158 Y HA 0.453 5.003 4.550 0.000 0.000 0.331 158 Y C -0.486 175.342 175.900 -0.120 0.000 1.083 158 Y CA -0.822 57.083 58.100 -0.325 0.000 1.206 158 Y CB 1.388 39.338 38.460 -0.849 0.000 1.195 158 Y HN 0.083 nan 8.280 nan 0.000 0.497 159 L N 3.567 124.810 121.223 0.033 0.000 2.505 159 L HA 0.575 4.915 4.340 0.000 0.000 0.266 159 L C -1.634 175.272 176.870 0.060 0.000 0.954 159 L CA -0.837 54.056 54.840 0.088 0.000 0.852 159 L CB 1.808 43.892 42.059 0.041 0.000 1.282 159 L HN 0.366 nan 8.230 nan 0.000 0.403 160 V N 6.218 126.214 119.914 0.136 0.000 2.405 160 V HA 0.277 4.397 4.120 0.000 0.000 0.264 160 V C 0.681 176.843 176.094 0.114 0.000 1.048 160 V CA -0.297 62.099 62.300 0.159 0.000 0.966 160 V CB 0.642 32.642 31.823 0.295 0.000 1.015 160 V HN 0.669 nan 8.190 nan 0.000 0.477 161 L N 7.690 128.964 121.223 0.084 0.000 2.467 161 L HA 0.162 4.502 4.340 0.000 0.000 0.270 161 L C -0.952 175.958 176.870 0.067 0.000 1.205 161 L CA -1.226 53.636 54.840 0.036 0.000 0.828 161 L CB 0.370 42.443 42.059 0.024 0.000 1.101 161 L HN 0.408 nan 8.230 nan 0.000 0.479 162 P HA -0.179 nan 4.420 nan 0.000 0.216 162 P C 1.142 178.490 177.300 0.079 0.000 1.153 162 P CA 1.326 64.445 63.100 0.032 0.000 0.858 162 P CB 0.076 31.755 31.700 -0.036 0.000 0.789 163 S N -2.366 113.393 115.700 0.098 0.000 2.660 163 S HA 0.289 4.759 4.470 0.000 0.000 0.223 163 S C 1.631 176.300 174.600 0.115 0.000 0.963 163 S CA 0.521 58.791 58.200 0.116 0.000 0.932 163 S CB -1.002 62.275 63.200 0.127 0.000 0.775 163 S HN 0.356 nan 8.310 nan 0.000 0.531 164 G N 0.482 109.371 108.800 0.147 0.000 2.254 164 G HA2 -0.230 3.730 3.960 0.000 0.000 0.225 164 G HA3 -0.230 3.730 3.960 0.000 0.000 0.225 164 G C -0.168 174.971 174.900 0.398 0.000 1.003 164 G CA -0.183 45.038 45.100 0.202 0.000 0.622 164 G HN 0.554 nan 8.290 nan 0.000 0.507 165 E N -0.027 120.355 120.200 0.303 0.000 2.409 165 E HA 0.550 4.900 4.350 0.000 0.000 0.257 165 E C 0.118 176.796 176.600 0.129 0.000 1.150 165 E CA -0.412 56.162 56.400 0.290 0.000 0.942 165 E CB 1.074 30.851 29.700 0.128 0.000 0.979 165 E HN 0.448 nan 8.360 nan 0.000 0.447 166 L N 2.457 123.450 121.223 -0.382 0.000 2.262 166 L HA 0.197 4.537 4.340 0.000 0.000 0.288 166 L C -1.081 175.533 176.870 -0.426 0.000 1.035 166 L CA -0.261 54.132 54.840 -0.745 0.000 0.820 166 L CB 0.721 41.734 42.059 -1.744 0.000 1.204 166 L HN 0.522 nan 8.230 nan 0.000 0.424 167 H N 6.846 125.726 119.070 -0.317 0.000 2.690 167 H HA 0.340 4.896 4.556 0.000 0.000 0.289 167 H C -0.907 174.250 175.328 -0.285 0.000 1.089 167 H CA -0.458 55.442 56.048 -0.246 0.000 1.299 167 H CB 0.689 30.354 29.762 -0.162 0.000 1.405 167 H HN 0.651 nan 8.280 nan 0.000 0.463 168 I N 6.052 126.259 120.570 -0.605 0.000 2.304 168 I HA 0.193 4.363 4.170 0.000 0.000 0.291 168 I C 0.829 176.595 176.117 -0.586 0.000 1.018 168 I CA -0.363 60.594 61.300 -0.572 0.000 1.260 168 I CB 0.885 38.587 38.000 -0.497 0.000 1.390 168 I HN 0.332 nan 8.210 nan 0.000 0.475 169 R N 6.507 126.747 120.500 -0.434 0.000 2.340 169 R HA 0.092 4.432 4.340 0.000 0.000 0.300 169 R C 0.027 176.193 176.300 -0.223 0.000 1.069 169 R CA -0.115 55.830 56.100 -0.259 0.000 0.984 169 R CB 0.477 30.714 30.300 -0.106 0.000 1.003 169 R HN 0.721 nan 8.270 nan 0.000 0.459 170 E N 2.301 122.416 120.200 -0.143 0.000 2.560 170 E HA -0.174 4.176 4.350 0.000 0.000 0.158 170 E C -1.212 175.326 176.600 -0.103 0.000 1.709 170 E CA 0.035 56.384 56.400 -0.085 0.000 0.653 170 E CB -0.249 29.419 29.700 -0.054 0.000 1.090 170 E HN 0.342 nan 8.360 nan 0.000 0.355 171 V N 2.190 122.048 119.914 -0.094 0.000 2.572 171 V HA 0.520 4.640 4.120 0.000 0.000 0.291 171 V C 1.278 177.354 176.094 -0.029 0.000 1.039 171 V CA 0.876 63.129 62.300 -0.077 0.000 1.055 171 V CB 1.406 33.193 31.823 -0.060 0.000 0.969 171 V HN 0.536 nan 8.190 nan 0.000 0.482 172 G N 4.287 113.076 108.800 -0.018 0.000 2.605 172 G HA2 0.582 4.542 3.960 0.000 0.000 0.296 172 G HA3 0.582 4.542 3.960 0.000 0.000 0.296 172 G C -2.294 172.619 174.900 0.022 0.000 1.304 172 G CA -1.351 43.751 45.100 0.004 0.000 0.941 172 G HN 0.476 nan 8.290 nan 0.000 0.475 173 P HA -0.232 nan 4.420 nan 0.000 0.220 173 P C 1.717 179.048 177.300 0.051 0.000 1.155 173 P CA 1.710 64.831 63.100 0.035 0.000 0.880 173 P CB 0.216 31.931 31.700 0.025 0.000 0.790 174 E N -1.076 119.146 120.200 0.037 0.000 2.501 174 E HA -0.202 4.148 4.350 0.000 0.000 0.203 174 E C 0.526 177.176 176.600 0.083 0.000 1.072 174 E CA 1.147 57.566 56.400 0.032 0.000 0.885 174 E CB -0.751 28.957 29.700 0.013 0.000 0.813 174 E HN 0.306 nan 8.360 nan 0.000 0.556 175 D N -0.296 120.174 120.400 0.117 0.000 2.520 175 D HA 0.122 4.762 4.640 0.000 0.000 0.223 175 D C 1.256 177.669 176.300 0.189 0.000 1.186 175 D CA 0.379 54.495 54.000 0.194 0.000 0.821 175 D CB 0.680 41.592 40.800 0.187 0.000 1.072 175 D HN 0.336 nan 8.370 nan 0.000 0.518 176 G N -0.226 108.655 108.800 0.135 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 1.165 176.113 174.900 0.080 0.000 1.159 176 G CA 0.123 45.277 45.100 0.090 0.000 0.784 176 G HN 0.224 nan 8.290 nan 0.000 0.535 177 Y N 0.870 121.155 120.300 -0.026 0.000 2.231 177 Y HA 0.286 4.836 4.550 0.000 0.000 0.294 177 Y C 1.314 177.144 175.900 -0.116 0.000 1.120 177 Y CA 0.615 58.685 58.100 -0.050 0.000 1.141 177 Y CB 0.226 38.673 38.460 -0.021 0.000 1.022 177 Y HN -0.075 nan 8.280 nan 0.000 0.523 178 K N 1.519 121.952 120.400 0.054 0.000 2.350 178 K HA 0.158 4.478 4.320 0.000 0.000 0.279 178 K C -0.484 175.757 176.600 -0.598 0.000 1.027 178 K CA -0.015 56.131 56.287 -0.235 0.000 0.969 178 K CB 0.838 33.184 32.500 -0.258 0.000 0.954 178 K HN 0.043 nan 8.250 nan 0.000 0.474 179 S N 2.865 118.289 115.700 -0.460 0.000 2.422 179 S HA 0.272 4.742 4.470 0.000 0.000 0.308 179 S C -0.920 173.482 174.600 -0.329 0.000 1.097 179 S CA -0.763 57.219 58.200 -0.364 0.000 1.099 179 S CB 0.139 63.233 63.200 -0.176 0.000 0.976 179 S HN 0.279 nan 8.310 nan 0.000 0.471 180 Y N 2.314 122.678 120.300 0.107 0.000 2.334 180 Y HA 0.521 5.071 4.550 0.000 0.000 0.328 180 Y C 0.633 176.702 175.900 0.283 0.000 1.130 180 Y CA -0.943 57.275 58.100 0.197 0.000 1.163 180 Y CB 0.950 39.501 38.460 0.152 0.000 1.207 180 Y HN 0.587 nan 8.280 nan 0.000 0.471 181 Q N 1.362 121.462 119.800 0.500 0.000 2.340 181 Q HA 0.677 5.017 4.340 0.000 0.000 0.276 181 Q C -1.282 174.803 176.000 0.142 0.000 1.048 181 Q CA -1.086 54.903 55.803 0.310 0.000 0.832 181 Q CB 1.580 30.391 28.738 0.122 0.000 1.373 181 Q HN 0.789 nan 8.270 nan 0.000 0.409 182 c N 0.445 118.872 118.600 -0.288 0.000 2.398 182 c HA 0.821 5.391 4.570 0.000 0.000 0.364 182 c C -0.053 173.818 174.090 -0.366 0.000 1.219 182 c CA -0.734 55.114 56.329 -0.801 0.000 2.312 182 c CB 1.013 42.723 42.510 -1.332 0.000 2.428 182 c HN 1.032 nan 8.230 nan 0.000 0.564 183 R N 1.789 122.094 120.500 -0.324 0.000 2.360 183 R HA 0.568 4.908 4.340 0.000 0.000 0.318 183 R C -0.236 175.976 176.300 -0.146 0.000 0.950 183 R CA 0.112 56.117 56.100 -0.158 0.000 0.837 183 R CB 1.367 31.652 30.300 -0.024 0.000 1.165 183 R HN 1.047 nan 8.270 nan 0.000 0.458 184 T N 0.842 115.353 114.554 -0.072 0.000 2.925 184 T HA 0.397 4.747 4.350 0.000 0.000 0.285 184 T C -0.394 174.360 174.700 0.091 0.000 1.021 184 T CA -0.901 61.206 62.100 0.011 0.000 1.042 184 T CB 2.023 70.960 68.868 0.115 0.000 1.037 184 T HN 0.463 nan 8.240 nan 0.000 0.481 185 K N 0.774 121.224 120.400 0.083 0.000 2.345 185 K HA 0.214 4.534 4.320 0.000 0.000 0.255 185 K C -1.063 175.592 176.600 0.092 0.000 0.934 185 K CA -0.768 55.586 56.287 0.112 0.000 0.801 185 K CB 1.048 33.597 32.500 0.083 0.000 1.137 185 K HN 0.816 nan 8.250 nan 0.000 0.424 186 H N 5.146 124.238 119.070 0.036 0.000 2.723 186 H HA 0.084 4.640 4.556 0.000 0.000 0.294 186 H C 0.661 175.991 175.328 0.003 0.000 1.079 186 H CA 0.169 56.191 56.048 -0.043 0.000 1.411 186 H CB 0.868 30.589 29.762 -0.069 0.000 1.439 186 H HN 0.690 nan 8.280 nan 0.000 0.474 187 R N 4.176 124.704 120.500 0.046 0.000 2.339 187 R HA 0.034 4.374 4.340 0.000 0.000 0.199 187 R C 0.367 176.775 176.300 0.179 0.000 1.018 187 R CA 0.678 56.842 56.100 0.108 0.000 1.036 187 R CB 0.119 30.453 30.300 0.057 0.000 0.899 187 R HN 0.445 nan 8.270 nan 0.000 0.473 188 L N 0.056 121.498 121.223 0.365 0.000 2.433 188 L HA 0.116 4.456 4.340 0.000 0.000 0.200 188 L C 2.378 179.293 176.870 0.075 0.000 1.059 188 L CA 0.840 55.795 54.840 0.191 0.000 0.835 188 L CB -0.377 41.737 42.059 0.091 0.000 1.076 188 L HN 0.240 nan 8.230 nan 0.000 0.481 189 T N -2.580 111.952 114.554 -0.036 0.000 2.985 189 T HA 0.091 4.441 4.350 0.000 0.000 0.266 189 T C 1.541 176.224 174.700 -0.027 0.000 1.076 189 T CA 0.843 62.840 62.100 -0.172 0.000 1.135 189 T CB 0.047 68.675 68.868 -0.400 0.000 0.890 189 T HN 0.482 nan 8.240 nan 0.000 0.480 190 G N 1.156 109.993 108.800 0.063 0.000 2.137 190 G HA2 -0.201 3.759 3.960 0.000 0.000 0.237 190 G HA3 -0.201 3.759 3.960 0.000 0.000 0.237 190 G C -0.324 174.617 174.900 0.069 0.000 1.002 190 G CA 0.085 45.227 45.100 0.071 0.000 0.702 190 G HN 0.678 nan 8.290 nan 0.000 0.515 191 E N 0.895 121.147 120.200 0.087 0.000 2.191 191 E HA 0.509 4.859 4.350 0.000 0.000 0.278 191 E C 0.275 176.956 176.600 0.136 0.000 0.972 191 E CA -0.005 56.451 56.400 0.094 0.000 0.804 191 E CB 1.120 30.874 29.700 0.089 0.000 1.110 191 E HN 0.358 nan 8.360 nan 0.000 0.394 192 T N 1.243 115.853 114.554 0.093 0.000 2.758 192 T HA 0.553 4.903 4.350 0.000 0.000 0.285 192 T C -0.065 174.660 174.700 0.041 0.000 0.981 192 T CA -0.957 61.193 62.100 0.083 0.000 0.965 192 T CB 0.935 69.839 68.868 0.061 0.000 0.927 192 T HN 0.307 nan 8.240 nan 0.000 0.448 193 R N 2.411 122.929 120.500 0.030 0.000 2.686 193 R HA 0.566 4.906 4.340 0.000 0.000 0.286 193 R C -0.275 175.964 176.300 -0.103 0.000 0.969 193 R CA -1.000 55.069 56.100 -0.052 0.000 0.898 193 R CB 2.093 32.332 30.300 -0.101 0.000 1.183 193 R HN 0.554 nan 8.270 nan 0.000 0.456 194 L N 1.438 122.586 121.223 -0.125 0.000 2.453 194 L HA 0.227 4.567 4.340 0.000 0.000 0.261 194 L C 0.569 177.354 176.870 -0.141 0.000 1.179 194 L CA -0.378 54.376 54.840 -0.144 0.000 0.813 194 L CB 0.964 42.933 42.059 -0.151 0.000 1.110 194 L HN 0.731 nan 8.230 nan 0.000 0.466 195 S N 0.420 116.042 115.700 -0.131 0.000 2.549 195 S HA 0.175 4.645 4.470 0.000 0.000 0.283 195 S C 0.864 175.419 174.600 -0.075 0.000 1.320 195 S CA -0.248 57.886 58.200 -0.109 0.000 1.058 195 S CB 1.373 64.524 63.200 -0.082 0.000 0.882 195 S HN 0.708 nan 8.310 nan 0.000 0.498 196 A N 2.200 124.979 122.820 -0.069 0.000 2.119 196 A HA 0.184 4.504 4.320 0.000 0.000 0.217 196 A C 1.289 178.862 177.584 -0.019 0.000 1.153 196 A CA 0.931 52.946 52.037 -0.037 0.000 0.692 196 A CB -0.648 18.339 19.000 -0.022 0.000 0.799 196 A HN 1.031 nan 8.150 nan 0.000 0.458 197 T N -1.600 112.948 114.554 -0.011 0.000 2.841 197 T HA 0.559 4.909 4.350 0.000 0.000 0.285 197 T C -0.847 173.871 174.700 0.029 0.000 0.991 197 T CA -0.839 61.266 62.100 0.008 0.000 0.966 197 T CB 1.514 70.391 68.868 0.016 0.000 0.962 197 T HN 0.205 nan 8.240 nan 0.000 0.438 198 K N 2.291 122.708 120.400 0.029 0.000 2.258 198 K HA 0.559 4.880 4.320 0.000 0.000 0.284 198 K C 0.766 177.407 176.600 0.068 0.000 1.051 198 K CA -0.763 55.557 56.287 0.054 0.000 0.923 198 K CB 1.336 33.847 32.500 0.018 0.000 1.046 198 K HN 0.815 nan 8.250 nan 0.000 0.474 199 G N 2.332 111.212 108.800 0.133 0.000 2.502 199 G HA2 0.533 4.493 3.960 0.000 0.000 0.305 199 G HA3 0.533 4.493 3.960 0.000 0.000 0.305 199 G C -0.576 174.386 174.900 0.104 0.000 1.190 199 G CA -0.692 44.486 45.100 0.131 0.000 0.933 199 G HN 0.715 nan 8.290 nan 0.000 0.503 200 R N -0.932 119.611 120.500 0.072 0.000 2.734 200 R HA 0.545 4.885 4.340 0.000 0.000 0.271 200 R C -1.445 174.885 176.300 0.049 0.000 1.021 200 R CA -1.071 55.051 56.100 0.035 0.000 0.893 200 R CB 1.371 31.638 30.300 -0.055 0.000 1.244 200 R HN 0.323 nan 8.270 nan 0.000 0.464 201 L N 2.052 123.322 121.223 0.078 0.000 2.259 201 L HA 0.327 4.667 4.340 0.000 0.000 0.288 201 L C -0.533 176.314 176.870 -0.039 0.000 1.051 201 L CA -1.045 53.820 54.840 0.042 0.000 0.824 201 L CB 1.761 43.896 42.059 0.128 0.000 1.206 201 L HN 0.402 nan 8.230 nan 0.000 0.429 202 V N 6.078 125.901 119.914 -0.152 0.000 2.370 202 V HA 0.145 4.265 4.120 0.000 0.000 0.257 202 V C 0.587 176.657 176.094 -0.040 0.000 1.064 202 V CA 0.053 62.261 62.300 -0.154 0.000 0.975 202 V CB 0.353 31.929 31.823 -0.412 0.000 1.067 202 V HN 0.477 nan 8.190 nan 0.000 0.485 203 I N 4.989 125.559 120.570 0.000 0.000 2.325 203 I HA 0.286 4.456 4.170 0.000 0.000 0.291 203 I C 0.486 176.617 176.117 0.024 0.000 1.019 203 I CA 0.126 61.437 61.300 0.020 0.000 1.302 203 I CB 1.113 39.126 38.000 0.021 0.000 1.401 203 I HN 0.470 nan 8.210 nan 0.000 0.485 204 T N 5.196 119.767 114.554 0.028 0.000 2.824 204 T HA 0.224 4.574 4.350 0.000 0.000 0.280 204 T C -0.070 174.611 174.700 -0.032 0.000 0.995 204 T CA -0.743 61.364 62.100 0.011 0.000 1.009 204 T CB 1.243 70.128 68.868 0.029 0.000 0.955 204 T HN 0.467 nan 8.240 nan 0.000 0.452 205 E N 3.709 123.880 120.200 -0.048 0.000 2.465 205 E HA 0.073 4.423 4.350 0.000 0.000 0.260 205 E C -2.024 174.472 176.600 -0.173 0.000 0.980 205 E CA -1.016 55.328 56.400 -0.093 0.000 0.927 205 E CB 0.328 29.986 29.700 -0.070 0.000 0.934 205 E HN 0.321 nan 8.360 nan 0.000 0.459 206 P HA 0.171 nan 4.420 nan 0.000 0.292 206 P C -0.222 176.821 177.300 -0.428 0.000 1.287 206 P CA -0.156 62.602 63.100 -0.570 0.000 0.800 206 P CB 1.092 31.919 31.700 -1.455 0.000 0.945 207 I N -0.259 120.156 120.570 -0.258 0.000 3.746 207 I HA 0.085 4.255 4.170 0.000 0.000 0.262 207 I C 0.825 176.913 176.117 -0.049 0.000 1.153 207 I CA 0.399 61.624 61.300 -0.123 0.000 1.395 207 I CB -1.113 36.844 38.000 -0.071 0.000 1.589 207 I HN 0.168 nan 8.210 nan 0.000 0.441 208 S N 2.111 117.791 115.700 -0.033 0.000 2.565 208 S HA 0.223 4.693 4.470 0.000 0.000 0.276 208 S C 0.495 175.143 174.600 0.079 0.000 1.326 208 S CA -0.146 58.066 58.200 0.020 0.000 1.045 208 S CB 0.822 64.028 63.200 0.009 0.000 0.918 208 S HN 0.170 nan 8.310 nan 0.000 0.505 209 S N 2.971 118.740 115.700 0.114 0.000 2.423 209 S HA 0.337 4.808 4.470 0.000 0.000 0.302 209 S C 0.312 174.974 174.600 0.102 0.000 1.143 209 S CA -0.640 57.657 58.200 0.162 0.000 1.080 209 S CB -0.109 63.150 63.200 0.098 0.000 1.081 209 S HN 0.781 nan 8.310 nan 0.000 0.522 210 A N 4.124 127.022 122.820 0.129 0.000 2.289 210 A HA 0.550 4.870 4.320 0.000 0.000 0.298 210 A C 0.265 177.879 177.584 0.050 0.000 1.208 210 A CA -0.645 51.437 52.037 0.075 0.000 0.845 210 A CB 0.327 19.373 19.000 0.076 0.000 1.125 210 A HN 0.578 nan 8.150 nan 0.000 0.517 211 V N 4.316 124.243 119.914 0.022 0.000 2.740 211 V HA 0.109 4.229 4.120 0.000 0.000 0.303 211 V C -1.963 174.131 176.094 -0.001 0.000 1.054 211 V CA -0.808 61.491 62.300 -0.000 0.000 1.106 211 V CB 0.433 32.252 31.823 -0.007 0.000 0.957 211 V HN 0.774 nan 8.190 nan 0.000 0.486 212 P HA 0.183 nan 4.420 nan 0.000 0.263 212 P C -0.608 176.688 177.300 -0.007 0.000 1.195 212 P CA 0.205 63.290 63.100 -0.026 0.000 0.762 212 P CB 0.350 31.998 31.700 -0.086 0.000 0.799 213 K N 2.453 122.864 120.400 0.019 0.000 2.371 213 K HA 0.551 4.872 4.320 0.000 0.000 0.251 213 K C -0.690 175.938 176.600 0.047 0.000 0.934 213 K CA -1.008 55.294 56.287 0.026 0.000 0.798 213 K CB 1.605 34.120 32.500 0.024 0.000 1.204 213 K HN 0.256 nan 8.250 nan 0.000 0.427 214 V N 0.041 119.982 119.914 0.046 0.000 3.096 214 V HA 0.489 4.609 4.120 0.000 0.000 0.319 214 V C -0.075 176.052 176.094 0.054 0.000 1.103 214 V CA -0.821 61.516 62.300 0.062 0.000 1.016 214 V CB 1.738 33.601 31.823 0.067 0.000 1.090 214 V HN 0.465 nan 8.190 nan 0.000 0.449 215 V N 2.983 122.934 119.914 0.061 0.000 2.248 215 V HA 0.171 4.291 4.120 0.000 0.000 0.309 215 V C 1.481 177.606 176.094 0.052 0.000 1.722 215 V CA 0.991 63.322 62.300 0.053 0.000 1.693 215 V CB -1.878 29.978 31.823 0.056 0.000 1.470 215 V HN 1.148 nan 8.190 nan 0.000 0.518 216 S N 1.486 117.214 115.700 0.047 0.000 4.157 216 S HA -0.444 4.026 4.470 0.000 0.000 0.538 216 S C 1.577 176.214 174.600 0.062 0.000 1.476 216 S CA 2.506 60.734 58.200 0.047 0.000 3.851 216 S CB -1.185 62.038 63.200 0.037 0.000 1.659 216 S HN 0.653 nan 8.310 nan 0.000 0.454 217 L N 1.954 123.213 121.223 0.060 0.000 2.043 217 L HA -0.125 4.215 4.340 0.000 0.000 0.212 217 L C 2.273 179.196 176.870 0.088 0.000 1.075 217 L CA 2.106 56.988 54.840 0.069 0.000 0.752 217 L CB -0.556 41.533 42.059 0.051 0.000 0.891 217 L HN 0.605 nan 8.230 nan 0.000 0.432 218 A N -0.906 121.963 122.820 0.081 0.000 2.259 218 A HA -0.215 4.105 4.320 0.000 0.000 0.212 218 A C 2.205 179.865 177.584 0.126 0.000 1.178 218 A CA 1.372 53.465 52.037 0.095 0.000 0.734 218 A CB -0.604 18.446 19.000 0.083 0.000 0.774 218 A HN 0.516 nan 8.150 nan 0.000 0.481 219 K N -1.890 118.590 120.400 0.133 0.000 2.288 219 K HA 0.004 4.324 4.320 0.000 0.000 0.201 219 K C -0.618 176.144 176.600 0.269 0.000 1.048 219 K CA 0.569 56.947 56.287 0.150 0.000 0.956 219 K CB -0.013 32.548 32.500 0.102 0.000 0.746 219 K HN 0.327 nan 8.250 nan 0.000 0.461 220 F N 0.524 120.511 119.950 0.061 0.000 2.574 220 F HA 0.349 4.876 4.527 0.000 0.000 0.313 220 F C -1.593 174.245 175.800 0.064 0.000 1.130 220 F CA -1.977 56.065 58.000 0.069 0.000 0.936 220 F CB 1.758 40.791 39.000 0.055 0.000 1.219 220 F HN -0.018 nan 8.300 nan 0.000 0.445 221 D N 6.108 126.412 120.400 -0.159 0.000 2.717 221 D HA 0.365 5.005 4.640 0.000 0.000 0.223 221 D C -1.757 174.378 176.300 -0.274 0.000 1.240 221 D CA -0.398 53.470 54.000 -0.219 0.000 0.801 221 D CB 2.276 43.065 40.800 -0.018 0.000 1.556 221 D HN 0.580 nan 8.370 nan 0.000 0.462 222 M N 2.311 121.763 119.600 -0.248 0.000 2.243 222 M HA 0.418 4.898 4.480 0.000 0.000 0.324 222 M C -0.309 175.922 176.300 -0.116 0.000 1.031 222 M CA -0.624 54.580 55.300 -0.161 0.000 0.949 222 M CB 2.476 34.967 32.600 -0.182 0.000 1.615 222 M HN 0.059 nan 8.290 nan 0.000 0.430 223 K N 1.334 121.684 120.400 -0.083 0.000 2.318 223 K HA 0.632 4.952 4.320 0.000 0.000 0.249 223 K C -0.959 175.549 176.600 -0.154 0.000 0.942 223 K CA -0.669 55.510 56.287 -0.180 0.000 0.808 223 K CB 2.463 34.809 32.500 -0.257 0.000 1.189 223 K HN 0.558 nan 8.250 nan 0.000 0.428 224 T N 2.207 116.620 114.554 -0.235 0.000 2.991 224 T HA 0.291 4.641 4.350 0.000 0.000 0.347 224 T C -0.966 173.638 174.700 -0.160 0.000 1.122 224 T CA -0.588 61.435 62.100 -0.129 0.000 1.062 224 T CB -0.151 68.663 68.868 -0.091 0.000 1.043 224 T HN 0.310 nan 8.240 nan 0.000 0.491 225 Y N 2.028 122.321 120.300 -0.013 0.000 2.320 225 Y HA 0.428 4.978 4.550 0.000 0.000 0.324 225 Y C 1.433 177.323 175.900 -0.016 0.000 1.190 225 Y CA -0.796 57.292 58.100 -0.020 0.000 1.215 225 Y CB 1.073 39.519 38.460 -0.025 0.000 1.221 225 Y HN 0.622 nan 8.280 nan 0.000 0.486 226 S N 1.164 116.972 115.700 0.181 0.000 2.593 226 S HA 0.365 4.835 4.470 0.000 0.000 0.269 226 S C 0.471 175.116 174.600 0.075 0.000 1.334 226 S CA -0.644 57.611 58.200 0.092 0.000 1.015 226 S CB 0.778 64.017 63.200 0.064 0.000 0.912 226 S HN 0.925 nan 8.310 nan 0.000 0.541 227 G N 0.205 109.033 108.800 0.045 0.000 2.491 227 G HA2 0.341 4.301 3.960 0.000 0.000 0.238 227 G HA3 0.341 4.301 3.960 0.000 0.000 0.238 227 G C 0.339 175.245 174.900 0.010 0.000 1.277 227 G CA -0.037 45.079 45.100 0.028 0.000 0.851 227 G HN 1.734 nan 8.290 nan 0.000 0.573 228 S N -0.918 114.779 115.700 -0.005 0.000 3.491 228 S HA -0.188 4.282 4.470 0.000 0.000 0.371 228 S C 0.897 175.478 174.600 -0.032 0.000 0.980 228 S CA 0.989 59.177 58.200 -0.021 0.000 1.204 228 S CB -1.532 61.661 63.200 -0.012 0.000 0.915 228 S HN 1.929 nan 8.310 nan 0.000 0.482 229 S N -0.150 115.519 115.700 -0.052 0.000 2.801 229 S HA 0.816 5.286 4.470 0.000 0.000 0.312 229 S C -0.176 174.340 174.600 -0.141 0.000 1.112 229 S CA -0.484 57.672 58.200 -0.072 0.000 0.943 229 S CB 1.732 64.906 63.200 -0.043 0.000 1.269 229 S HN 0.316 nan 8.310 nan 0.000 0.558 230 T N 1.983 116.435 114.554 -0.169 0.000 2.770 230 T HA 0.489 4.839 4.350 0.000 0.000 0.297 230 T C -0.397 174.064 174.700 -0.398 0.000 0.997 230 T CA -0.266 61.698 62.100 -0.228 0.000 0.949 230 T CB 0.188 68.964 68.868 -0.152 0.000 0.941 230 T HN 0.489 nan 8.240 nan 0.000 0.457 231 M N 2.569 121.835 119.600 -0.557 0.000 2.277 231 M HA 0.650 5.130 4.480 0.000 0.000 0.350 231 M C 0.095 176.070 176.300 -0.540 0.000 1.180 231 M CA -0.772 53.942 55.300 -0.976 0.000 1.103 231 M CB 1.402 33.411 32.600 -0.984 0.000 1.577 231 M HN 0.571 nan 8.290 nan 0.000 0.459 232 A N 4.472 127.077 122.820 -0.360 0.000 2.483 232 A HA 0.664 4.984 4.320 0.000 0.000 0.308 232 A C -0.831 176.714 177.584 -0.065 0.000 1.291 232 A CA -0.676 51.264 52.037 -0.162 0.000 0.774 232 A CB 0.317 19.284 19.000 -0.057 0.000 1.134 232 A HN 0.868 nan 8.150 nan 0.000 0.471 233 L N 3.097 124.196 121.223 -0.207 0.000 2.276 233 L HA 0.476 4.816 4.340 0.000 0.000 0.286 233 L C -0.718 176.149 176.870 -0.005 0.000 1.061 233 L CA -0.535 54.215 54.840 -0.151 0.000 0.807 233 L CB 0.971 42.718 42.059 -0.521 0.000 1.177 233 L HN 0.522 nan 8.230 nan 0.000 0.429 234 L N 2.931 124.258 121.223 0.173 0.000 2.334 234 L HA 0.436 4.776 4.340 0.000 0.000 0.270 234 L C -0.083 176.978 176.870 0.318 0.000 1.018 234 L CA -0.103 54.857 54.840 0.201 0.000 0.811 234 L CB 1.867 43.998 42.059 0.120 0.000 1.271 234 L HN 0.607 nan 8.230 nan 0.000 0.443 235 c N 2.281 120.991 118.600 0.184 0.000 3.465 235 c HA 0.447 5.017 4.570 0.000 0.000 0.193 235 c C -2.423 171.726 174.090 0.099 0.000 1.515 235 c CA -1.587 54.807 56.329 0.109 0.000 1.340 235 c CB -0.542 41.960 42.510 -0.014 0.000 1.928 235 c HN 0.546 nan 8.230 nan 0.000 0.510 236 P HA 0.266 nan 4.420 nan 0.000 0.258 236 P C -0.434 176.960 177.300 0.157 0.000 1.214 236 P CA 1.041 64.207 63.100 0.110 0.000 0.872 236 P CB 0.153 31.909 31.700 0.095 0.000 0.890 237 A N 3.546 126.503 122.820 0.229 0.000 2.466 237 A HA 0.419 4.740 4.320 0.000 0.000 0.284 237 A C -0.568 177.158 177.584 0.236 0.000 1.049 237 A CA -0.588 51.594 52.037 0.242 0.000 0.760 237 A CB 1.158 20.343 19.000 0.308 0.000 1.274 237 A HN 0.404 nan 8.150 nan 0.000 0.412 238 Q N 0.243 120.125 119.800 0.136 0.000 2.240 238 Q HA 0.811 5.151 4.340 0.000 0.000 0.260 238 Q C 0.171 176.218 176.000 0.078 0.000 1.018 238 Q CA -0.323 55.549 55.803 0.115 0.000 0.898 238 Q CB 2.380 31.174 28.738 0.093 0.000 1.301 238 Q HN 1.404 nan 8.270 nan 0.000 0.469 239 G N -0.046 108.805 108.800 0.086 0.000 2.328 239 G HA2 0.261 4.221 3.960 0.000 0.000 0.299 239 G HA3 0.261 4.221 3.960 0.000 0.000 0.299 239 G C -2.600 172.387 174.900 0.146 0.000 1.435 239 G CA -0.655 44.493 45.100 0.080 0.000 0.865 239 G HN 0.423 nan 8.290 nan 0.000 0.601 240 Y N 0.586 120.879 120.300 -0.013 0.000 2.479 240 Y HA 0.631 5.181 4.550 0.000 0.000 0.338 240 Y C -2.504 173.384 175.900 -0.019 0.000 1.055 240 Y CA -1.701 56.392 58.100 -0.012 0.000 1.023 240 Y CB 2.836 41.294 38.460 -0.003 0.000 1.287 240 Y HN 0.536 nan 8.280 nan 0.000 0.447 241 P HA 0.017 nan 4.420 nan 0.000 0.270 241 P C -0.817 176.252 177.300 -0.386 0.000 1.227 241 P CA -0.120 62.419 63.100 -0.935 0.000 0.788 241 P CB 0.525 31.860 31.700 -0.609 0.000 0.926 242 V N 3.979 123.718 119.914 -0.291 0.000 2.506 242 V HA -0.011 4.109 4.120 0.000 0.000 0.296 242 V C -1.321 174.706 176.094 -0.113 0.000 1.004 242 V CA -0.276 61.973 62.300 -0.086 0.000 1.150 242 V CB -0.790 31.019 31.823 -0.024 0.000 0.911 242 V HN 0.639 nan 8.190 nan 0.000 0.476 243 P HA 0.407 nan 4.420 nan 0.000 0.277 243 P C -0.975 176.154 177.300 -0.286 0.000 1.271 243 P CA -0.346 62.608 63.100 -0.243 0.000 0.795 243 P CB 1.227 32.714 31.700 -0.355 0.000 1.101 244 V N 0.288 119.992 119.914 -0.351 0.000 2.604 244 V HA 0.397 4.517 4.120 0.000 0.000 0.305 244 V C -0.332 175.537 176.094 -0.374 0.000 1.043 244 V CA -0.436 61.724 62.300 -0.233 0.000 0.888 244 V CB 1.088 32.852 31.823 -0.099 0.000 0.995 244 V HN 0.322 nan 8.190 nan 0.000 0.429 245 F N 3.360 123.298 119.950 -0.020 0.000 2.411 245 F HA 0.681 5.208 4.527 0.000 0.000 0.352 245 F C 0.642 176.414 175.800 -0.047 0.000 1.123 245 F CA -0.512 57.453 58.000 -0.058 0.000 1.044 245 F CB 1.472 40.455 39.000 -0.028 0.000 1.135 245 F HN 0.303 nan 8.300 nan 0.000 0.461 246 R N 2.476 123.008 120.500 0.054 0.000 2.562 246 R HA 0.447 4.787 4.340 0.000 0.000 0.298 246 R C -1.737 174.538 176.300 -0.041 0.000 0.961 246 R CA -0.807 55.314 56.100 0.036 0.000 0.881 246 R CB 1.799 32.163 30.300 0.106 0.000 1.159 246 R HN 0.606 nan 8.270 nan 0.000 0.450 247 W N 2.070 123.319 121.300 -0.086 0.000 2.573 247 W HA 0.434 5.094 4.660 0.000 0.000 0.326 247 W C -0.613 175.746 176.519 -0.267 0.000 1.049 247 W CA -0.226 57.103 57.345 -0.027 0.000 1.220 247 W CB 1.198 30.653 29.460 -0.007 0.000 1.373 247 W HN 0.442 nan 8.180 nan 0.000 0.507 248 Y N 1.415 121.879 120.300 0.274 0.000 2.545 248 Y HA 0.419 4.969 4.550 0.000 0.000 0.348 248 Y C -0.187 175.759 175.900 0.076 0.000 1.002 248 Y CA -1.533 56.610 58.100 0.072 0.000 1.039 248 Y CB 2.196 40.563 38.460 -0.155 0.000 1.271 248 Y HN 0.155 nan 8.280 nan 0.000 0.467 249 K N 2.291 122.740 120.400 0.082 0.000 2.323 249 K HA 0.477 4.797 4.320 0.000 0.000 0.259 249 K C -1.509 174.990 176.600 -0.169 0.000 0.947 249 K CA -0.583 55.601 56.287 -0.172 0.000 0.819 249 K CB 0.817 33.156 32.500 -0.269 0.000 1.109 249 K HN 0.504 nan 8.250 nan 0.000 0.429 250 F N 3.271 123.187 119.950 -0.057 0.000 2.459 250 F HA 0.170 4.697 4.527 0.000 0.000 0.346 250 F C 0.732 176.507 175.800 -0.041 0.000 1.128 250 F CA -0.218 57.768 58.000 -0.023 0.000 1.268 250 F CB 0.357 39.347 39.000 -0.017 0.000 1.161 250 F HN 0.361 nan 8.300 nan 0.000 0.583 251 I N 1.820 122.513 120.570 0.206 0.000 2.471 251 I HA 0.023 4.193 4.170 0.000 0.000 0.286 251 I C 0.242 176.414 176.117 0.091 0.000 1.079 251 I CA -0.392 60.972 61.300 0.107 0.000 1.398 251 I CB 0.437 38.491 38.000 0.089 0.000 1.403 251 I HN 0.461 nan 8.210 nan 0.000 0.530 252 E N 5.530 125.764 120.200 0.058 0.000 3.587 252 E HA -0.073 4.277 4.350 0.000 0.000 0.235 252 E C 1.319 177.940 176.600 0.035 0.000 0.912 252 E CA 1.368 57.794 56.400 0.043 0.000 0.933 252 E CB -0.685 29.037 29.700 0.036 0.000 0.865 252 E HN 0.836 nan 8.360 nan 0.000 0.567 253 G N 2.620 111.433 108.800 0.022 0.000 2.304 253 G HA2 -0.364 3.596 3.960 0.000 0.000 0.252 253 G HA3 -0.364 3.596 3.960 0.000 0.000 0.252 253 G C 0.576 175.461 174.900 -0.026 0.000 1.014 253 G CA 0.749 45.846 45.100 -0.004 0.000 0.619 253 G HN 1.027 nan 8.290 nan 0.000 0.525 254 T N -1.779 112.776 114.554 0.001 0.000 2.824 254 T HA 0.537 4.887 4.350 0.000 0.000 0.277 254 T C 1.616 176.298 174.700 -0.030 0.000 0.975 254 T CA 1.105 63.205 62.100 -0.000 0.000 0.966 254 T CB 1.294 70.185 68.868 0.038 0.000 1.054 254 T HN 0.979 nan 8.240 nan 0.000 0.533 255 T N -2.005 112.539 114.554 -0.015 0.000 3.129 255 T HA 0.170 4.520 4.350 0.000 0.000 0.251 255 T C 0.627 175.423 174.700 0.160 0.000 1.117 255 T CA -0.511 61.581 62.100 -0.013 0.000 1.034 255 T CB -0.134 68.719 68.868 -0.025 0.000 0.968 255 T HN 0.430 nan 8.240 nan 0.000 0.526 256 R N 2.693 123.294 120.500 0.169 0.000 2.410 256 R HA 0.509 4.849 4.340 0.000 0.000 0.288 256 R C 0.073 176.526 176.300 0.254 0.000 1.051 256 R CA -0.322 55.879 56.100 0.169 0.000 1.021 256 R CB 0.702 31.062 30.300 0.100 0.000 1.032 256 R HN 0.639 nan 8.270 nan 0.000 0.481 257 K N 0.937 121.411 120.400 0.123 0.000 2.422 257 K HA 0.412 4.732 4.320 0.000 0.000 0.251 257 K C -0.717 175.914 176.600 0.051 0.000 0.933 257 K CA -0.838 55.438 56.287 -0.017 0.000 0.798 257 K CB 2.246 34.515 32.500 -0.386 0.000 1.238 257 K HN 0.358 nan 8.250 nan 0.000 0.428 258 Q N 0.891 120.730 119.800 0.066 0.000 2.266 258 Q HA 0.497 4.837 4.340 0.000 0.000 0.261 258 Q C -0.733 175.347 176.000 0.133 0.000 0.985 258 Q CA -1.094 54.768 55.803 0.099 0.000 0.873 258 Q CB 2.203 30.973 28.738 0.053 0.000 1.306 258 Q HN 0.792 nan 8.270 nan 0.000 0.447 259 A N 1.679 124.539 122.820 0.067 0.000 2.440 259 A HA 0.295 4.615 4.320 0.000 0.000 0.251 259 A C -0.087 177.435 177.584 -0.104 0.000 1.089 259 A CA -0.441 51.476 52.037 -0.199 0.000 0.779 259 A CB 0.323 19.183 19.000 -0.234 0.000 1.022 259 A HN 0.533 nan 8.150 nan 0.000 0.492 260 V N 3.023 122.873 119.914 -0.108 0.000 2.655 260 V HA 0.088 4.208 4.120 0.000 0.000 0.300 260 V C 0.393 176.471 176.094 -0.027 0.000 1.044 260 V CA -0.107 62.199 62.300 0.009 0.000 1.095 260 V CB 1.171 33.042 31.823 0.079 0.000 0.952 260 V HN 0.549 nan 8.190 nan 0.000 0.485 261 V N 7.088 126.996 119.914 -0.010 0.000 2.368 261 V HA 0.275 4.395 4.120 0.000 0.000 0.266 261 V C 0.202 176.275 176.094 -0.034 0.000 1.045 261 V CA -0.266 62.021 62.300 -0.021 0.000 0.899 261 V CB 0.820 32.636 31.823 -0.010 0.000 1.006 261 V HN 0.584 nan 8.190 nan 0.000 0.470 262 L N 6.682 127.882 121.223 -0.039 0.000 2.397 262 L HA 0.474 4.814 4.340 0.000 0.000 0.271 262 L C 0.564 177.408 176.870 -0.043 0.000 1.148 262 L CA 0.214 55.025 54.840 -0.049 0.000 0.825 262 L CB 0.756 42.790 42.059 -0.042 0.000 1.117 262 L HN 0.947 nan 8.230 nan 0.000 0.456 263 N N -0.077 118.593 118.700 -0.051 0.000 3.687 263 N HA 0.083 4.823 4.740 0.000 0.000 0.348 263 N C -0.099 175.381 175.510 -0.050 0.000 1.430 263 N CA -0.460 52.564 53.050 -0.043 0.000 0.697 263 N CB 0.254 38.719 38.487 -0.037 0.000 3.045 263 N HN 0.260 nan 8.380 nan 0.000 0.516 264 D N -0.362 120.010 120.400 -0.047 0.000 2.216 264 D HA 0.076 4.716 4.640 0.000 0.000 0.208 264 D C 1.667 177.930 176.300 -0.061 0.000 0.960 264 D CA 0.676 54.646 54.000 -0.050 0.000 0.861 264 D CB 0.598 41.373 40.800 -0.041 0.000 0.985 264 D HN 0.438 nan 8.370 nan 0.000 0.493 265 R N 0.440 120.903 120.500 -0.061 0.000 2.062 265 R HA 0.025 4.365 4.340 0.000 0.000 0.226 265 R C 0.207 176.448 176.300 -0.098 0.000 1.125 265 R CA 0.682 56.739 56.100 -0.072 0.000 0.966 265 R CB 0.297 30.561 30.300 -0.060 0.000 0.861 265 R HN -0.099 nan 8.270 nan 0.000 0.433 266 V N 1.838 121.691 119.914 -0.101 0.000 2.370 266 V HA 0.322 4.442 4.120 0.000 0.000 0.283 266 V C -0.462 175.552 176.094 -0.133 0.000 1.023 266 V CA -0.539 61.678 62.300 -0.138 0.000 0.857 266 V CB 1.462 33.203 31.823 -0.138 0.000 0.985 266 V HN 0.156 nan 8.190 nan 0.000 0.443 267 K N 3.057 123.361 120.400 -0.160 0.000 2.395 267 K HA 0.566 4.886 4.320 0.000 0.000 0.247 267 K C -1.082 175.415 176.600 -0.172 0.000 0.973 267 K CA -0.766 55.439 56.287 -0.138 0.000 0.828 267 K CB 2.359 34.788 32.500 -0.118 0.000 1.272 267 K HN 0.685 nan 8.250 nan 0.000 0.439 268 Q N 2.892 122.618 119.800 -0.124 0.000 2.357 268 Q HA 0.301 4.641 4.340 0.000 0.000 0.266 268 Q C -1.571 174.376 176.000 -0.088 0.000 1.021 268 Q CA -0.688 55.049 55.803 -0.110 0.000 0.784 268 Q CB 1.699 30.427 28.738 -0.018 0.000 1.243 268 Q HN 0.327 nan 8.270 nan 0.000 0.465 269 V N 4.062 123.887 119.914 -0.148 0.000 2.334 269 V HA 0.173 4.293 4.120 0.000 0.000 0.267 269 V C 0.795 176.821 176.094 -0.113 0.000 1.040 269 V CA 0.573 62.781 62.300 -0.152 0.000 0.866 269 V CB 0.262 31.918 31.823 -0.278 0.000 1.019 269 V HN 1.091 nan 8.190 nan 0.000 0.468 270 S N 5.204 120.904 115.700 0.000 0.000 4.139 270 S HA -0.267 4.203 4.470 0.000 0.000 0.603 270 S C 1.646 176.229 174.600 -0.030 0.000 1.897 270 S CA 2.034 60.263 58.200 0.048 0.000 4.241 270 S CB -1.508 61.765 63.200 0.121 0.000 0.221 270 S HN 1.286 nan 8.310 nan 0.000 0.488 271 G N 0.463 109.070 108.800 -0.323 0.000 2.887 271 G HA2 0.362 4.322 3.960 0.000 0.000 0.211 271 G HA3 0.362 4.322 3.960 0.000 0.000 0.211 271 G C 0.323 175.138 174.900 -0.142 0.000 1.152 271 G CA 0.984 45.600 45.100 -0.806 0.000 0.769 271 G HN 0.763 nan 8.290 nan 0.000 0.541 272 T N 1.500 115.985 114.554 -0.115 0.000 2.780 272 T HA 0.393 4.743 4.350 0.000 0.000 0.294 272 T C -0.669 173.924 174.700 -0.178 0.000 0.949 272 T CA -0.274 61.775 62.100 -0.084 0.000 1.074 272 T CB 1.954 70.671 68.868 -0.252 0.000 0.910 272 T HN 0.028 nan 8.240 nan 0.000 0.501 273 L N 5.812 126.813 121.223 -0.369 0.000 2.276 273 L HA 0.534 4.874 4.340 0.000 0.000 0.286 273 L C -0.727 175.843 176.870 -0.500 0.000 1.061 273 L CA -0.173 54.274 54.840 -0.654 0.000 0.807 273 L CB 0.185 41.375 42.059 -1.449 0.000 1.177 273 L HN 0.581 nan 8.230 nan 0.000 0.429 274 I N 6.549 126.890 120.570 -0.382 0.000 2.354 274 I HA 0.364 4.534 4.170 0.000 0.000 0.292 274 I C -0.485 175.446 176.117 -0.311 0.000 0.989 274 I CA -0.440 60.668 61.300 -0.319 0.000 1.188 274 I CB 1.442 39.296 38.000 -0.245 0.000 1.342 274 I HN 0.484 nan 8.210 nan 0.000 0.457 275 I N 6.795 127.171 120.570 -0.324 0.000 2.382 275 I HA 0.307 4.477 4.170 0.000 0.000 0.285 275 I C -0.090 175.889 176.117 -0.231 0.000 1.007 275 I CA -0.715 60.418 61.300 -0.278 0.000 1.142 275 I CB 1.201 39.013 38.000 -0.313 0.000 1.289 275 I HN 0.489 nan 8.210 nan 0.000 0.453 276 K N 4.885 125.182 120.400 -0.172 0.000 2.098 276 K HA 0.244 4.564 4.320 0.000 0.000 0.257 276 K C -0.551 175.980 176.600 -0.114 0.000 0.999 276 K CA -0.729 55.475 56.287 -0.138 0.000 0.924 276 K CB 0.599 33.034 32.500 -0.109 0.000 1.028 276 K HN 0.498 nan 8.250 nan 0.000 0.466 277 D N 0.303 120.645 120.400 -0.096 0.000 2.904 277 D HA -0.178 4.462 4.640 0.000 0.000 0.231 277 D C -0.462 175.798 176.300 -0.066 0.000 1.185 277 D CA 0.774 54.732 54.000 -0.069 0.000 0.783 277 D CB -1.103 39.665 40.800 -0.053 0.000 0.961 277 D HN 0.694 nan 8.370 nan 0.000 0.409 278 A N 0.219 122.993 122.820 -0.078 0.000 2.445 278 A HA 0.518 4.838 4.320 0.000 0.000 0.242 278 A C 0.867 178.437 177.584 -0.023 0.000 1.075 278 A CA 0.177 52.176 52.037 -0.064 0.000 0.777 278 A CB 0.838 19.790 19.000 -0.080 0.000 1.013 278 A HN 0.770 nan 8.150 nan 0.000 0.493 279 V N 0.433 120.345 119.914 -0.005 0.000 3.102 279 V HA 0.532 4.652 4.120 0.000 0.000 0.312 279 V C 0.893 177.006 176.094 0.033 0.000 1.135 279 V CA -0.404 61.904 62.300 0.013 0.000 1.022 279 V CB 1.133 32.962 31.823 0.010 0.000 1.056 279 V HN 0.647 nan 8.190 nan 0.000 0.436 280 V N 0.524 120.460 119.914 0.036 0.000 2.469 280 V HA -0.143 3.977 4.120 0.000 0.000 0.251 280 V C 2.534 178.661 176.094 0.054 0.000 1.064 280 V CA 2.410 64.739 62.300 0.048 0.000 1.066 280 V CB -1.055 30.793 31.823 0.043 0.000 0.667 280 V HN 1.066 nan 8.190 nan 0.000 0.461 281 E N 0.213 120.440 120.200 0.045 0.000 2.267 281 E HA -0.184 4.166 4.350 0.000 0.000 0.197 281 E C 1.772 178.413 176.600 0.068 0.000 0.998 281 E CA 1.077 57.506 56.400 0.048 0.000 0.830 281 E CB -0.358 29.363 29.700 0.036 0.000 0.751 281 E HN 0.599 nan 8.360 nan 0.000 0.491 282 D N 0.058 120.507 120.400 0.082 0.000 2.348 282 D HA 0.005 4.645 4.640 0.000 0.000 0.216 282 D C 0.068 176.492 176.300 0.207 0.000 0.970 282 D CA 0.335 54.419 54.000 0.140 0.000 0.889 282 D CB -0.001 40.854 40.800 0.091 0.000 0.912 282 D HN -0.008 nan 8.370 nan 0.000 0.524 283 S N -0.064 115.722 115.700 0.142 0.000 2.568 283 S HA 0.471 4.941 4.470 0.000 0.000 0.282 283 S C 0.799 175.466 174.600 0.112 0.000 1.338 283 S CA 0.179 58.468 58.200 0.148 0.000 1.045 283 S CB 1.507 64.768 63.200 0.101 0.000 0.873 283 S HN 0.441 nan 8.310 nan 0.000 0.516 284 G N 1.402 110.273 108.800 0.120 0.000 2.352 284 G HA2 0.224 4.184 3.960 0.000 0.000 0.283 284 G HA3 0.224 4.184 3.960 0.000 0.000 0.283 284 G C -1.718 173.228 174.900 0.077 0.000 1.308 284 G CA -1.005 44.114 45.100 0.031 0.000 0.892 284 G HN 0.613 nan 8.290 nan 0.000 0.504 285 K N 0.359 120.799 120.400 0.067 0.000 2.281 285 K HA 0.603 4.923 4.320 0.000 0.000 0.272 285 K C -1.282 175.452 176.600 0.224 0.000 1.048 285 K CA -0.519 55.913 56.287 0.242 0.000 0.898 285 K CB 0.460 33.129 32.500 0.281 0.000 1.128 285 K HN 0.400 nan 8.250 nan 0.000 0.460 286 Y N 3.479 124.005 120.300 0.376 0.000 2.342 286 Y HA 0.336 4.886 4.550 0.000 0.000 0.334 286 Y C -0.337 175.819 175.900 0.426 0.000 1.067 286 Y CA -0.870 57.456 58.100 0.378 0.000 1.128 286 Y CB 1.375 40.056 38.460 0.370 0.000 1.200 286 Y HN 0.424 nan 8.280 nan 0.000 0.464 287 L N 4.708 126.197 121.223 0.444 0.000 2.349 287 L HA 0.584 4.924 4.340 0.000 0.000 0.278 287 L C -1.176 175.741 176.870 0.078 0.000 0.996 287 L CA -1.006 53.966 54.840 0.219 0.000 0.825 287 L CB 1.149 43.191 42.059 -0.028 0.000 1.243 287 L HN 0.790 nan 8.230 nan 0.000 0.412 288 c N 5.975 124.381 118.600 -0.323 0.000 2.295 288 c HA 0.826 5.396 4.570 0.000 0.000 0.331 288 c C -0.293 173.604 174.090 -0.321 0.000 1.280 288 c CA -0.422 55.420 56.329 -0.811 0.000 1.746 288 c CB 0.336 41.865 42.510 -1.634 0.000 2.328 288 c HN 0.674 nan 8.230 nan 0.000 0.521 289 V N 6.563 126.366 119.914 -0.184 0.000 2.435 289 V HA 0.566 4.686 4.120 0.000 0.000 0.290 289 V C -0.076 175.938 176.094 -0.134 0.000 1.030 289 V CA -0.395 61.842 62.300 -0.105 0.000 0.881 289 V CB 1.567 33.368 31.823 -0.035 0.000 0.983 289 V HN 0.746 nan 8.190 nan 0.000 0.445 290 V N 5.697 125.502 119.914 -0.181 0.000 2.376 290 V HA 0.598 4.718 4.120 0.000 0.000 0.287 290 V C -0.524 175.401 176.094 -0.281 0.000 1.015 290 V CA -0.276 61.803 62.300 -0.367 0.000 0.834 290 V CB 1.608 33.148 31.823 -0.470 0.000 1.001 290 V HN 1.022 nan 8.190 nan 0.000 0.428 291 N N 5.167 123.704 118.700 -0.272 0.000 2.404 291 N HA 0.703 5.443 4.740 0.000 0.000 0.297 291 N C -0.882 174.511 175.510 -0.195 0.000 1.163 291 N CA -0.721 52.219 53.050 -0.183 0.000 0.864 291 N CB 1.661 40.074 38.487 -0.123 0.000 1.247 291 N HN 0.908 nan 8.380 nan 0.000 0.510 292 N N -2.249 116.365 118.700 -0.144 0.000 3.243 292 N HA 0.193 4.933 4.740 0.000 0.000 0.280 292 N C -0.086 175.363 175.510 -0.101 0.000 1.545 292 N CA -0.559 52.412 53.050 -0.133 0.000 0.854 292 N CB 0.173 38.572 38.487 -0.146 0.000 1.612 292 N HN 0.345 nan 8.380 nan 0.000 0.577 293 S N -0.998 114.641 115.700 -0.101 0.000 2.419 293 S HA -0.078 4.392 4.470 0.000 0.000 0.235 293 S C 1.599 176.162 174.600 -0.061 0.000 1.019 293 S CA 1.355 59.508 58.200 -0.079 0.000 0.982 293 S CB -0.573 62.577 63.200 -0.084 0.000 0.789 293 S HN 0.356 nan 8.310 nan 0.000 0.490 294 V N 0.839 120.717 119.914 -0.060 0.000 2.374 294 V HA 0.404 4.524 4.120 0.000 0.000 0.241 294 V C 1.459 177.528 176.094 -0.041 0.000 1.034 294 V CA 1.233 63.509 62.300 -0.040 0.000 1.037 294 V CB -0.576 31.231 31.823 -0.027 0.000 0.682 294 V HN 0.710 nan 8.190 nan 0.000 0.463 295 G N -1.733 107.036 108.800 -0.052 0.000 2.749 295 G HA2 0.633 4.593 3.960 0.000 0.000 0.300 295 G HA3 0.633 4.593 3.960 0.000 0.000 0.300 295 G C -1.107 173.751 174.900 -0.070 0.000 1.352 295 G CA -0.091 44.978 45.100 -0.052 0.000 0.789 295 G HN 0.562 nan 8.290 nan 0.000 0.509 296 G N -0.756 108.004 108.800 -0.067 0.000 2.731 296 G HA2 0.566 4.526 3.960 0.000 0.000 0.298 296 G HA3 0.566 4.526 3.960 0.000 0.000 0.298 296 G C -1.615 173.243 174.900 -0.071 0.000 1.424 296 G CA -0.243 44.807 45.100 -0.083 0.000 1.029 296 G HN 0.579 nan 8.290 nan 0.000 0.518 297 E N 0.168 120.321 120.200 -0.079 0.000 2.359 297 E HA 0.794 5.144 4.350 0.000 0.000 0.266 297 E C -0.366 176.197 176.600 -0.062 0.000 0.920 297 E CA -0.613 55.754 56.400 -0.055 0.000 0.788 297 E CB 2.076 31.756 29.700 -0.034 0.000 1.279 297 E HN 0.763 nan 8.360 nan 0.000 0.438 298 S N 0.629 116.304 115.700 -0.043 0.000 2.540 298 S HA 0.761 5.231 4.470 0.000 0.000 0.275 298 S C -0.881 173.708 174.600 -0.017 0.000 1.123 298 S CA -0.475 57.696 58.200 -0.049 0.000 0.907 298 S CB 0.823 63.988 63.200 -0.059 0.000 1.081 298 S HN 0.840 nan 8.310 nan 0.000 0.476 299 V N -0.604 119.300 119.914 -0.016 0.000 3.001 299 V HA 0.856 4.976 4.120 0.000 0.000 0.314 299 V C -0.870 175.287 176.094 0.104 0.000 1.099 299 V CA -0.859 61.474 62.300 0.055 0.000 0.989 299 V CB 1.509 33.386 31.823 0.089 0.000 1.040 299 V HN 1.045 nan 8.190 nan 0.000 0.434 300 E N 0.565 120.907 120.200 0.238 0.000 2.336 300 E HA 0.776 5.126 4.350 0.000 0.000 0.267 300 E C -1.287 175.651 176.600 0.564 0.000 0.906 300 E CA -0.893 55.733 56.400 0.377 0.000 0.781 300 E CB 2.569 32.396 29.700 0.212 0.000 1.261 300 E HN 0.858 nan 8.360 nan 0.000 0.436 301 T N 0.596 115.493 114.554 0.572 0.000 3.011 301 T HA 0.224 4.574 4.350 0.000 0.000 0.303 301 T C -0.900 174.055 174.700 0.424 0.000 0.997 301 T CA -0.631 61.742 62.100 0.455 0.000 1.007 301 T CB 1.165 70.284 68.868 0.418 0.000 1.017 301 T HN 0.139 nan 8.240 nan 0.000 0.443 302 V N 4.491 124.564 119.914 0.266 0.000 2.322 302 V HA 0.319 4.439 4.120 0.000 0.000 0.258 302 V C -0.125 176.069 176.094 0.166 0.000 1.074 302 V CA -0.548 61.876 62.300 0.207 0.000 0.909 302 V CB 0.318 32.196 31.823 0.092 0.000 1.090 302 V HN 0.645 nan 8.190 nan 0.000 0.486 303 L N 6.208 127.581 121.223 0.249 0.000 2.275 303 L HA 0.695 5.035 4.340 0.000 0.000 0.288 303 L C 0.454 177.435 176.870 0.185 0.000 1.046 303 L CA 0.468 55.451 54.840 0.239 0.000 0.805 303 L CB 1.818 44.092 42.059 0.358 0.000 1.193 303 L HN 0.764 nan 8.230 nan 0.000 0.426 304 T N 2.273 116.908 114.554 0.135 0.000 2.906 304 T HA 0.610 4.960 4.350 0.000 0.000 0.302 304 T C -0.549 174.218 174.700 0.111 0.000 1.002 304 T CA -0.729 61.432 62.100 0.103 0.000 0.988 304 T CB 0.903 69.805 68.868 0.056 0.000 0.972 304 T HN 0.232 nan 8.240 nan 0.000 0.447 305 V N 4.030 124.011 119.914 0.112 0.000 2.465 305 V HA 0.561 4.681 4.120 0.000 0.000 0.279 305 V C 1.297 177.434 176.094 0.071 0.000 1.045 305 V CA -0.733 61.629 62.300 0.104 0.000 0.938 305 V CB 1.058 32.932 31.823 0.085 0.000 0.986 305 V HN 1.137 nan 8.190 nan 0.000 0.467 306 T N 1.703 116.295 114.554 0.063 0.000 2.788 306 T HA 0.779 5.129 4.350 0.000 0.000 0.280 306 T C -0.154 174.568 174.700 0.037 0.000 0.984 306 T CA -0.145 61.981 62.100 0.043 0.000 0.972 306 T CB 1.654 70.542 68.868 0.033 0.000 1.039 306 T HN 1.393 nan 8.240 nan 0.000 0.530 307 A N 1.548 124.387 122.820 0.031 0.000 2.480 307 A HA 0.655 4.975 4.320 0.000 0.000 0.289 307 A C -3.157 174.442 177.584 0.025 0.000 1.044 307 A CA -1.674 50.381 52.037 0.029 0.000 0.761 307 A CB 0.867 19.888 19.000 0.034 0.000 1.289 307 A HN 0.642 nan 8.150 nan 0.000 0.401 308 P HA 0.137 nan 4.420 nan 0.000 0.261 308 P C -0.450 176.859 177.300 0.015 0.000 1.173 308 P CA 0.422 63.530 63.100 0.013 0.000 0.760 308 P CB 0.311 32.017 31.700 0.010 0.000 0.783 309 L N 2.449 123.673 121.223 0.003 0.000 2.380 309 L HA 0.410 4.750 4.340 0.000 0.000 0.273 309 L C 0.797 177.663 176.870 -0.008 0.000 1.138 309 L CA 0.403 55.243 54.840 0.000 0.000 0.832 309 L CB 0.680 42.719 42.059 -0.033 0.000 1.124 309 L HN 0.376 nan 8.230 nan 0.000 0.454 310 S N 1.800 117.509 115.700 0.017 0.000 2.566 310 S HA 0.778 5.248 4.470 0.000 0.000 0.273 310 S C -0.968 173.655 174.600 0.040 0.000 1.157 310 S CA -0.409 57.796 58.200 0.008 0.000 0.938 310 S CB 1.629 64.837 63.200 0.013 0.000 1.087 310 S HN 0.729 nan 8.310 nan 0.000 0.474 311 A N 3.378 126.205 122.820 0.012 0.000 2.350 311 A HA 0.959 5.279 4.320 0.000 0.000 0.318 311 A C -0.755 176.849 177.584 0.034 0.000 1.132 311 A CA -0.767 51.292 52.037 0.037 0.000 0.811 311 A CB 1.603 20.591 19.000 -0.021 0.000 1.313 311 A HN 0.796 nan 8.150 nan 0.000 0.454 312 K N 1.422 121.855 120.400 0.055 0.000 2.575 312 K HA 0.499 4.819 4.320 0.000 0.000 0.255 312 K C -2.079 174.575 176.600 0.090 0.000 0.953 312 K CA -0.392 55.932 56.287 0.061 0.000 0.840 312 K CB 1.121 33.653 32.500 0.054 0.000 1.303 312 K HN 0.638 nan 8.250 nan 0.000 0.438 313 I N 2.779 123.414 120.570 0.109 0.000 2.353 313 I HA 0.215 4.385 4.170 0.000 0.000 0.293 313 I C -0.557 175.669 176.117 0.182 0.000 0.992 313 I CA -0.603 60.808 61.300 0.184 0.000 1.268 313 I CB 1.530 39.665 38.000 0.225 0.000 1.387 313 I HN 0.621 nan 8.210 nan 0.000 0.478 314 D N 8.830 129.352 120.400 0.204 0.000 2.344 314 D HA 0.432 5.072 4.640 0.000 0.000 0.239 314 D C -2.583 173.826 176.300 0.183 0.000 1.064 314 D CA -1.918 52.176 54.000 0.155 0.000 0.829 314 D CB 1.781 42.646 40.800 0.107 0.000 1.129 314 D HN 0.105 nan 8.370 nan 0.000 0.506 315 P HA 0.381 nan 4.420 nan 0.000 0.283 315 P C -2.271 175.130 177.300 0.169 0.000 1.271 315 P CA -1.550 61.627 63.100 0.128 0.000 0.841 315 P CB 1.223 32.968 31.700 0.075 0.000 1.122 316 P HA -0.001 nan 4.420 nan 0.000 0.219 316 P C 0.349 177.713 177.300 0.107 0.000 1.150 316 P CA 1.635 64.798 63.100 0.104 0.000 0.814 316 P CB 0.243 31.980 31.700 0.063 0.000 0.787 317 T N -1.016 113.595 114.554 0.095 0.000 2.982 317 T HA 0.458 4.808 4.350 0.000 0.000 0.321 317 T C -2.102 172.641 174.700 0.072 0.000 1.229 317 T CA -0.698 61.456 62.100 0.090 0.000 1.044 317 T CB 1.134 70.020 68.868 0.029 0.000 1.184 317 T HN 0.007 nan 8.240 nan 0.000 0.477 318 Q N 1.480 121.326 119.800 0.078 0.000 2.418 318 Q HA 0.697 5.037 4.340 0.000 0.000 0.282 318 Q C -1.607 174.390 176.000 -0.005 0.000 1.044 318 Q CA -1.128 54.684 55.803 0.014 0.000 0.813 318 Q CB 1.830 30.548 28.738 -0.032 0.000 1.428 318 Q HN 0.499 nan 8.270 nan 0.000 0.402 319 T N 1.284 115.817 114.554 -0.035 0.000 2.809 319 T HA 0.529 4.879 4.350 0.000 0.000 0.296 319 T C -0.209 174.441 174.700 -0.085 0.000 1.015 319 T CA -0.647 61.425 62.100 -0.047 0.000 0.954 319 T CB 0.981 69.829 68.868 -0.033 0.000 0.950 319 T HN 0.597 nan 8.240 nan 0.000 0.450 320 V N -0.061 119.781 119.914 -0.120 0.000 2.628 320 V HA 0.673 4.793 4.120 0.000 0.000 0.306 320 V C -0.700 175.280 176.094 -0.191 0.000 1.045 320 V CA -1.092 61.119 62.300 -0.148 0.000 0.905 320 V CB 1.807 33.529 31.823 -0.169 0.000 0.997 320 V HN 0.602 nan 8.190 nan 0.000 0.436 321 D N 2.831 123.147 120.400 -0.140 0.000 2.304 321 D HA 0.374 5.014 4.640 0.000 0.000 0.247 321 D C -0.053 176.209 176.300 -0.062 0.000 1.089 321 D CA 0.115 54.057 54.000 -0.096 0.000 0.910 321 D CB 0.936 41.713 40.800 -0.038 0.000 1.199 321 D HN 0.543 nan 8.370 nan 0.000 0.426 322 F N 0.520 120.518 119.950 0.080 0.000 2.629 322 F HA 0.201 4.728 4.527 0.000 0.000 0.377 322 F C 2.013 177.854 175.800 0.067 0.000 1.101 322 F CA 1.349 59.394 58.000 0.074 0.000 1.301 322 F CB 0.238 39.293 39.000 0.093 0.000 1.062 322 F HN 0.606 nan 8.300 nan 0.000 0.583 323 G N 1.478 110.398 108.800 0.201 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 0.552 175.479 174.900 0.045 0.000 1.012 323 G CA -0.460 44.711 45.100 0.118 0.000 0.618 323 G HN 0.481 nan 8.290 nan 0.000 0.521 324 R N 1.357 121.866 120.500 0.015 0.000 2.528 324 R HA 0.522 4.862 4.340 0.000 0.000 0.271 324 R C -2.314 173.941 176.300 -0.075 0.000 1.056 324 R CA -2.103 53.976 56.100 -0.035 0.000 1.117 324 R CB 0.227 30.495 30.300 -0.054 0.000 1.085 324 R HN 0.289 nan 8.270 nan 0.000 0.530 325 P HA 0.268 nan 4.420 nan 0.000 0.278 325 P C -1.253 175.924 177.300 -0.205 0.000 1.238 325 P CA -0.442 62.575 63.100 -0.138 0.000 0.794 325 P CB 1.131 32.758 31.700 -0.122 0.000 0.955 326 A N 2.618 125.263 122.820 -0.291 0.000 2.330 326 A HA 0.594 4.914 4.320 0.000 0.000 0.313 326 A C -0.812 176.394 177.584 -0.630 0.000 1.124 326 A CA -0.669 51.090 52.037 -0.462 0.000 0.774 326 A CB 1.092 19.784 19.000 -0.515 0.000 1.198 326 A HN 0.298 nan 8.150 nan 0.000 0.465 327 V N 2.439 121.962 119.914 -0.651 0.000 2.448 327 V HA 0.577 4.697 4.120 0.000 0.000 0.295 327 V C -1.137 174.547 176.094 -0.684 0.000 1.025 327 V CA -0.322 61.650 62.300 -0.547 0.000 0.859 327 V CB 0.871 32.526 31.823 -0.280 0.000 0.988 327 V HN 0.686 nan 8.190 nan 0.000 0.431 328 F N 1.559 121.367 119.950 -0.236 0.000 2.482 328 F HA 0.642 5.169 4.527 0.000 0.000 0.331 328 F C 0.565 176.385 175.800 0.034 0.000 1.115 328 F CA -0.606 57.323 58.000 -0.117 0.000 0.955 328 F CB 2.178 41.026 39.000 -0.254 0.000 1.136 328 F HN 0.322 nan 8.300 nan 0.000 0.452 329 T N 2.055 116.820 114.554 0.350 0.000 2.786 329 T HA 0.232 4.582 4.350 0.000 0.000 0.283 329 T C -0.886 174.060 174.700 0.410 0.000 0.992 329 T CA -0.439 61.859 62.100 0.330 0.000 0.954 329 T CB 1.051 70.028 68.868 0.181 0.000 0.934 329 T HN 0.726 nan 8.240 nan 0.000 0.440 330 c N 5.466 124.358 118.600 0.487 0.000 2.281 330 c HA 0.347 4.917 4.570 0.000 0.000 0.336 330 c C 0.074 174.316 174.090 0.253 0.000 1.217 330 c CA -0.552 55.967 56.329 0.316 0.000 1.730 330 c CB -0.792 41.822 42.510 0.174 0.000 2.338 330 c HN 0.679 nan 8.230 nan 0.000 0.521 331 Q N 4.938 124.834 119.800 0.161 0.000 2.303 331 Q HA 0.412 4.752 4.340 0.000 0.000 0.257 331 Q C -0.972 175.086 176.000 0.096 0.000 0.941 331 Q CA -0.029 55.807 55.803 0.055 0.000 0.931 331 Q CB 1.760 30.517 28.738 0.031 0.000 1.215 331 Q HN 0.878 nan 8.270 nan 0.000 0.437 332 Y N -1.450 118.859 120.300 0.016 0.000 2.553 332 Y HA 0.779 5.329 4.550 0.000 0.000 0.347 332 Y C -0.522 175.379 175.900 0.002 0.000 1.019 332 Y CA -1.164 56.934 58.100 -0.004 0.000 1.032 332 Y CB 1.378 39.826 38.460 -0.019 0.000 1.284 332 Y HN 0.421 nan 8.280 nan 0.000 0.466 333 T N -0.610 114.042 114.554 0.163 0.000 2.906 333 T HA 0.929 5.279 4.350 0.000 0.000 0.295 333 T C -0.119 174.660 174.700 0.131 0.000 1.061 333 T CA -0.420 61.739 62.100 0.098 0.000 1.000 333 T CB 1.376 70.265 68.868 0.035 0.000 1.103 333 T HN 2.151 nan 8.240 nan 0.000 0.486 334 G N 0.784 109.648 108.800 0.105 0.000 2.334 334 G HA2 0.329 4.289 3.960 0.000 0.000 0.566 334 G HA3 0.329 4.289 3.960 0.000 0.000 0.566 334 G C -1.706 173.244 174.900 0.084 0.000 1.413 334 G CA -0.797 44.350 45.100 0.078 0.000 0.993 334 G HN 1.079 nan 8.290 nan 0.000 0.642 335 N N 0.554 119.287 118.700 0.056 0.000 2.324 335 N HA 0.794 5.534 4.740 0.000 0.000 0.285 335 N C -2.862 172.670 175.510 0.036 0.000 1.076 335 N CA -1.170 51.911 53.050 0.052 0.000 0.864 335 N CB 3.410 41.928 38.487 0.053 0.000 1.632 335 N HN 0.473 nan 8.380 nan 0.000 0.478 336 P HA 0.408 nan 4.420 nan 0.000 0.281 336 P C -0.921 176.390 177.300 0.019 0.000 1.264 336 P CA -0.521 62.599 63.100 0.032 0.000 0.824 336 P CB 1.196 32.911 31.700 0.025 0.000 1.092 337 I N 2.067 122.649 120.570 0.020 0.000 2.339 337 I HA 0.267 4.437 4.170 0.000 0.000 0.290 337 I C 1.198 177.299 176.117 -0.026 0.000 0.994 337 I CA -0.527 60.758 61.300 -0.025 0.000 1.191 337 I CB 1.347 39.318 38.000 -0.048 0.000 1.343 337 I HN 0.427 nan 8.210 nan 0.000 0.458 338 K N 3.714 124.093 120.400 -0.036 0.000 2.313 338 K HA 0.143 4.463 4.320 0.000 0.000 0.197 338 K C -0.001 176.581 176.600 -0.029 0.000 1.061 338 K CA 0.897 57.171 56.287 -0.021 0.000 0.980 338 K CB 0.518 33.011 32.500 -0.012 0.000 0.888 338 K HN 0.738 nan 8.250 nan 0.000 0.502 339 T N -0.982 113.541 114.554 -0.052 0.000 3.355 339 T HA 0.406 4.756 4.350 0.000 0.000 0.324 339 T C -1.068 173.579 174.700 -0.088 0.000 0.932 339 T CA -0.906 61.167 62.100 -0.045 0.000 1.032 339 T CB 1.190 70.053 68.868 -0.008 0.000 1.027 339 T HN -0.222 nan 8.240 nan 0.000 0.456 340 V N 3.804 123.650 119.914 -0.113 0.000 2.348 340 V HA 0.693 4.813 4.120 0.000 0.000 0.270 340 V C 0.319 176.381 176.094 -0.052 0.000 1.037 340 V CA -0.450 61.752 62.300 -0.163 0.000 0.872 340 V CB 0.598 32.280 31.823 -0.235 0.000 1.002 340 V HN 1.125 nan 8.190 nan 0.000 0.464 341 S N 3.270 118.940 115.700 -0.050 0.000 2.536 341 S HA 0.740 5.210 4.470 0.000 0.000 0.287 341 S C -1.214 173.367 174.600 -0.031 0.000 1.101 341 S CA -0.891 57.327 58.200 0.029 0.000 0.950 341 S CB 1.376 64.600 63.200 0.039 0.000 1.056 341 S HN 0.492 nan 8.310 nan 0.000 0.481 342 W N 1.645 122.989 121.300 0.073 0.000 2.390 342 W HA 0.782 5.442 4.660 0.000 0.000 0.362 342 W C 0.244 176.745 176.519 -0.029 0.000 1.206 342 W CA -0.715 56.669 57.345 0.063 0.000 1.355 342 W CB 1.476 31.018 29.460 0.137 0.000 1.278 342 W HN 0.752 nan 8.180 nan 0.000 0.653 343 M N 1.880 121.647 119.600 0.279 0.000 2.603 343 M HA 0.326 4.806 4.480 0.000 0.000 0.275 343 M C -1.662 174.678 176.300 0.067 0.000 1.226 343 M CA -0.812 54.514 55.300 0.043 0.000 0.870 343 M CB 2.133 34.601 32.600 -0.221 0.000 1.716 343 M HN 0.198 nan 8.290 nan 0.000 0.482 344 K N 2.268 122.631 120.400 -0.062 0.000 2.565 344 K HA 0.225 4.545 4.320 0.000 0.000 0.249 344 K C -1.489 174.991 176.600 -0.200 0.000 0.958 344 K CA -0.074 56.081 56.287 -0.219 0.000 0.806 344 K CB 1.198 33.529 32.500 -0.281 0.000 1.194 344 K HN 0.871 nan 8.250 nan 0.000 0.434 345 D N 3.495 123.765 120.400 -0.216 0.000 2.720 345 D HA -0.243 4.397 4.640 0.000 0.000 0.229 345 D C 0.827 177.067 176.300 -0.099 0.000 1.198 345 D CA 2.048 55.962 54.000 -0.144 0.000 0.639 345 D CB -0.801 39.912 40.800 -0.145 0.000 1.003 345 D HN 1.064 nan 8.370 nan 0.000 0.411 346 G N -0.786 107.960 108.800 -0.089 0.000 3.586 346 G HA2 -0.330 3.630 3.960 0.000 0.000 0.212 346 G HA3 -0.330 3.630 3.960 0.000 0.000 0.212 346 G C 0.283 175.132 174.900 -0.085 0.000 1.411 346 G CA 0.282 45.340 45.100 -0.071 0.000 0.898 346 G HN 0.329 nan 8.290 nan 0.000 0.575 347 K N 2.192 122.547 120.400 -0.074 0.000 2.270 347 K HA 0.711 5.031 4.320 0.000 0.000 0.276 347 K C 0.742 177.301 176.600 -0.068 0.000 1.023 347 K CA 0.417 56.666 56.287 -0.063 0.000 0.955 347 K CB 1.097 33.571 32.500 -0.044 0.000 0.975 347 K HN 0.893 nan 8.250 nan 0.000 0.471 348 A N 3.156 125.941 122.820 -0.059 0.000 2.313 348 A HA 0.552 4.872 4.320 0.000 0.000 0.261 348 A C 0.502 178.093 177.584 0.012 0.000 1.090 348 A CA -0.554 51.459 52.037 -0.041 0.000 0.807 348 A CB 0.034 19.004 19.000 -0.050 0.000 1.055 348 A HN 0.783 nan 8.150 nan 0.000 0.492 349 I N -2.647 117.962 120.570 0.065 0.000 3.237 349 I HA 0.781 4.951 4.170 0.000 0.000 0.308 349 I C 0.954 177.142 176.117 0.118 0.000 1.093 349 I CA -0.626 60.732 61.300 0.097 0.000 1.001 349 I CB 1.751 39.835 38.000 0.139 0.000 1.245 349 I HN 0.533 nan 8.210 nan 0.000 0.485 350 G N -0.276 108.596 108.800 0.120 0.000 2.572 350 G HA2 -0.070 3.890 3.960 0.000 0.000 0.216 350 G HA3 -0.070 3.890 3.960 0.000 0.000 0.216 350 G C 0.367 175.353 174.900 0.142 0.000 1.133 350 G CA 0.173 45.337 45.100 0.107 0.000 0.791 350 G HN 0.725 nan 8.290 nan 0.000 0.538 351 H N 0.880 120.014 119.070 0.107 0.000 2.848 351 H HA 0.356 4.912 4.556 0.000 0.000 0.317 351 H C 0.771 176.247 175.328 0.246 0.000 1.046 351 H CA 0.480 56.609 56.048 0.135 0.000 1.470 351 H CB 0.996 30.792 29.762 0.057 0.000 1.483 351 H HN 0.085 nan 8.280 nan 0.000 0.548 352 S N 3.384 119.102 115.700 0.029 0.000 2.843 352 S HA 0.274 4.744 4.470 0.000 0.000 0.249 352 S C -0.184 174.469 174.600 0.088 0.000 1.047 352 S CA -0.812 57.450 58.200 0.104 0.000 1.042 352 S CB 0.329 63.551 63.200 0.036 0.000 0.936 352 S HN 0.525 nan 8.310 nan 0.000 0.531 353 E N 1.381 121.657 120.200 0.127 0.000 2.277 353 E HA 0.391 4.741 4.350 0.000 0.000 0.266 353 E C 0.640 177.552 176.600 0.521 0.000 0.901 353 E CA -0.178 56.342 56.400 0.200 0.000 0.782 353 E CB 2.044 31.766 29.700 0.037 0.000 1.228 353 E HN 0.288 nan 8.360 nan 0.000 0.424 354 S N 0.286 116.245 115.700 0.431 0.000 2.368 354 S HA -0.128 4.342 4.470 0.000 0.000 0.226 354 S C 1.182 176.186 174.600 0.674 0.000 1.044 354 S CA 0.827 59.342 58.200 0.525 0.000 1.062 354 S CB -0.306 63.131 63.200 0.395 0.000 0.931 354 S HN 0.277 nan 8.310 nan 0.000 0.440 355 V N 3.730 123.909 119.914 0.442 0.000 2.368 355 V HA 0.356 4.476 4.120 0.000 0.000 0.266 355 V C 0.015 176.134 176.094 0.041 0.000 1.045 355 V CA -0.557 61.900 62.300 0.262 0.000 0.899 355 V CB 0.989 32.904 31.823 0.153 0.000 1.006 355 V HN 0.486 nan 8.190 nan 0.000 0.470 356 L N 6.635 127.639 121.223 -0.364 0.000 2.290 356 L HA 0.594 4.934 4.340 0.000 0.000 0.284 356 L C -0.125 176.413 176.870 -0.553 0.000 1.078 356 L CA -0.235 54.056 54.840 -0.916 0.000 0.815 356 L CB 1.200 42.283 42.059 -1.628 0.000 1.162 356 L HN 0.709 nan 8.230 nan 0.000 0.435 357 R N 5.308 125.497 120.500 -0.518 0.000 2.435 357 R HA 0.487 4.827 4.340 0.000 0.000 0.308 357 R C -0.963 175.160 176.300 -0.294 0.000 0.975 357 R CA -0.362 55.535 56.100 -0.339 0.000 0.867 357 R CB 0.736 30.915 30.300 -0.202 0.000 1.171 357 R HN 0.640 nan 8.270 nan 0.000 0.470 358 I N 4.654 125.040 120.570 -0.307 0.000 2.396 358 I HA 0.092 4.262 4.170 0.000 0.000 0.289 358 I C 1.016 177.036 176.117 -0.162 0.000 1.056 358 I CA 0.012 61.185 61.300 -0.212 0.000 1.365 358 I CB 1.558 39.427 38.000 -0.218 0.000 1.407 358 I HN 0.717 nan 8.210 nan 0.000 0.509 359 E N 2.912 123.050 120.200 -0.103 0.000 2.112 359 E HA -0.062 4.288 4.350 0.000 0.000 0.190 359 E C 0.451 177.017 176.600 -0.057 0.000 0.979 359 E CA 0.707 57.063 56.400 -0.073 0.000 0.814 359 E CB 0.292 29.966 29.700 -0.043 0.000 0.762 359 E HN 0.498 nan 8.360 nan 0.000 0.460 360 S N 0.660 116.335 115.700 -0.043 0.000 2.609 360 S HA 0.226 4.696 4.470 0.000 0.000 0.250 360 S C -0.704 173.895 174.600 -0.002 0.000 1.112 360 S CA -0.604 57.586 58.200 -0.017 0.000 1.102 360 S CB 0.934 64.137 63.200 0.006 0.000 1.124 360 S HN -0.068 nan 8.310 nan 0.000 0.460 361 V N 6.150 126.054 119.914 -0.017 0.000 2.843 361 V HA 0.433 4.553 4.120 0.000 0.000 0.305 361 V C 0.364 176.502 176.094 0.073 0.000 1.065 361 V CA 0.310 62.604 62.300 -0.010 0.000 1.116 361 V CB 0.837 32.609 31.823 -0.085 0.000 0.968 361 V HN 0.872 nan 8.190 nan 0.000 0.487 362 K N 2.768 123.231 120.400 0.105 0.000 2.522 362 K HA 0.492 4.812 4.320 0.000 0.000 0.275 362 K C 0.627 177.358 176.600 0.219 0.000 1.006 362 K CA -1.016 55.414 56.287 0.238 0.000 0.890 362 K CB 1.823 34.429 32.500 0.178 0.000 1.475 362 K HN 0.196 nan 8.250 nan 0.000 0.441 363 K N 0.984 121.595 120.400 0.351 0.000 2.049 363 K HA -0.270 4.050 4.320 0.000 0.000 0.219 363 K C 1.526 178.211 176.600 0.141 0.000 1.056 363 K CA 2.649 59.109 56.287 0.289 0.000 0.946 363 K CB -0.147 32.487 32.500 0.223 0.000 0.723 363 K HN 0.745 nan 8.250 nan 0.000 0.453 364 E N 0.269 120.532 120.200 0.104 0.000 2.401 364 E HA -0.202 4.148 4.350 0.000 0.000 0.199 364 E C 0.861 177.509 176.600 0.079 0.000 1.023 364 E CA 1.092 57.532 56.400 0.067 0.000 0.859 364 E CB -0.204 29.523 29.700 0.045 0.000 0.780 364 E HN 0.467 nan 8.360 nan 0.000 0.523 365 D N 1.872 122.341 120.400 0.116 0.000 2.363 365 D HA -0.040 4.600 4.640 0.000 0.000 0.220 365 D C 0.674 177.113 176.300 0.231 0.000 0.994 365 D CA 0.377 54.493 54.000 0.194 0.000 0.890 365 D CB 0.069 40.971 40.800 0.170 0.000 0.906 365 D HN 0.435 nan 8.370 nan 0.000 0.530 366 K N 0.518 121.000 120.400 0.136 0.000 2.380 366 K HA 0.328 4.648 4.320 0.000 0.000 0.267 366 K C 0.746 177.415 176.600 0.116 0.000 0.990 366 K CA -0.009 56.364 56.287 0.142 0.000 0.946 366 K CB 0.911 33.474 32.500 0.104 0.000 0.937 366 K HN 0.002 nan 8.250 nan 0.000 0.491 367 G N 0.925 109.817 108.800 0.153 0.000 2.396 367 G HA2 -0.048 3.913 3.960 0.000 0.000 0.254 367 G HA3 -0.048 3.913 3.960 0.000 0.000 0.254 367 G C -0.984 173.917 174.900 0.001 0.000 1.248 367 G CA -0.604 44.535 45.100 0.065 0.000 1.033 367 G HN 0.517 nan 8.290 nan 0.000 0.502 368 M N 0.109 119.633 119.600 -0.127 0.000 2.233 368 M HA 0.545 5.025 4.480 0.000 0.000 0.355 368 M C -1.035 175.079 176.300 -0.311 0.000 1.191 368 M CA -0.522 54.712 55.300 -0.110 0.000 1.101 368 M CB 0.671 33.225 32.600 -0.075 0.000 1.592 368 M HN 0.480 nan 8.290 nan 0.000 0.461 369 Y N 1.540 121.745 120.300 -0.157 0.000 2.376 369 Y HA 0.365 4.915 4.550 0.000 0.000 0.326 369 Y C 0.265 176.169 175.900 0.006 0.000 0.970 369 Y CA -0.537 57.465 58.100 -0.165 0.000 1.248 369 Y CB 1.278 39.368 38.460 -0.615 0.000 1.117 369 Y HN 0.582 nan 8.280 nan 0.000 0.476 370 Q N 1.950 121.848 119.800 0.163 0.000 2.259 370 Q HA 0.450 4.790 4.340 0.000 0.000 0.246 370 Q C -0.852 175.138 176.000 -0.015 0.000 0.920 370 Q CA -0.572 55.296 55.803 0.108 0.000 0.895 370 Q CB 2.089 30.878 28.738 0.085 0.000 1.220 370 Q HN 0.725 nan 8.270 nan 0.000 0.439 371 c N 3.733 122.173 118.600 -0.266 0.000 2.345 371 c HA 0.611 5.181 4.570 0.000 0.000 0.323 371 c C -1.055 172.975 174.090 -0.100 0.000 1.276 371 c CA -0.556 55.352 56.329 -0.701 0.000 1.543 371 c CB -0.568 41.169 42.510 -1.289 0.000 2.211 371 c HN 0.798 nan 8.230 nan 0.000 0.493 372 F N 4.907 124.625 119.950 -0.387 0.000 2.443 372 F HA 0.595 5.122 4.527 0.000 0.000 0.335 372 F C 0.264 175.906 175.800 -0.263 0.000 1.104 372 F CA -0.792 57.065 58.000 -0.238 0.000 1.013 372 F CB 2.072 40.982 39.000 -0.151 0.000 1.136 372 F HN 0.579 nan 8.300 nan 0.000 0.470 373 V N 2.332 122.144 119.914 -0.170 0.000 2.380 373 V HA 0.688 4.808 4.120 0.000 0.000 0.286 373 V C -0.863 175.124 176.094 -0.179 0.000 1.015 373 V CA -0.777 61.386 62.300 -0.230 0.000 0.834 373 V CB 1.129 32.757 31.823 -0.326 0.000 1.009 373 V HN 0.874 nan 8.190 nan 0.000 0.428 374 R N 3.039 123.469 120.500 -0.116 0.000 2.837 374 R HA 0.897 5.237 4.340 0.000 0.000 0.271 374 R C -0.570 175.702 176.300 -0.047 0.000 0.993 374 R CA -0.686 55.370 56.100 -0.073 0.000 0.931 374 R CB 1.779 32.066 30.300 -0.023 0.000 1.206 374 R HN 0.740 nan 8.270 nan 0.000 0.474 375 N N -0.501 118.184 118.700 -0.026 0.000 3.600 375 N HA 0.243 4.983 4.740 0.000 0.000 0.348 375 N C -0.527 174.983 175.510 -0.000 0.000 1.649 375 N CA -0.638 52.403 53.050 -0.014 0.000 0.710 375 N CB 0.006 38.483 38.487 -0.018 0.000 2.380 375 N HN 0.476 nan 8.380 nan 0.000 0.631 376 D N -1.110 119.285 120.400 -0.008 0.000 2.123 376 D HA 0.064 4.704 4.640 0.000 0.000 0.200 376 D C 1.144 177.427 176.300 -0.028 0.000 0.976 376 D CA 1.159 55.151 54.000 -0.014 0.000 0.831 376 D CB 0.131 40.916 40.800 -0.026 0.000 0.974 376 D HN 0.303 nan 8.370 nan 0.000 0.469 377 R N -0.106 120.372 120.500 -0.036 0.000 2.373 377 R HA 0.333 4.673 4.340 0.000 0.000 0.221 377 R C 0.169 176.454 176.300 -0.024 0.000 0.893 377 R CA 0.126 56.187 56.100 -0.065 0.000 1.049 377 R CB 1.046 31.305 30.300 -0.068 0.000 1.119 377 R HN 0.276 nan 8.270 nan 0.000 0.535 378 E N 0.054 120.256 120.200 0.003 0.000 2.416 378 E HA 0.365 4.715 4.350 0.000 0.000 0.273 378 E C -1.110 175.481 176.600 -0.013 0.000 0.935 378 E CA -0.645 55.760 56.400 0.007 0.000 0.784 378 E CB 2.554 32.246 29.700 -0.014 0.000 1.301 378 E HN -0.024 nan 8.360 nan 0.000 0.454 379 S N -0.193 115.471 115.700 -0.061 0.000 2.652 379 S HA 0.685 5.155 4.470 0.000 0.000 0.273 379 S C -1.096 173.351 174.600 -0.255 0.000 1.172 379 S CA -0.926 57.176 58.200 -0.164 0.000 1.009 379 S CB 1.291 64.386 63.200 -0.174 0.000 1.094 379 S HN 0.570 nan 8.310 nan 0.000 0.471 380 A N 2.573 125.226 122.820 -0.277 0.000 2.317 380 A HA 0.870 5.190 4.320 0.000 0.000 0.327 380 A C -0.144 177.197 177.584 -0.405 0.000 1.178 380 A CA -0.673 51.202 52.037 -0.270 0.000 0.817 380 A CB 0.958 19.870 19.000 -0.146 0.000 1.189 380 A HN 1.041 nan 8.150 nan 0.000 0.489 381 E N 1.075 121.046 120.200 -0.382 0.000 2.244 381 E HA 0.816 5.167 4.350 0.000 0.000 0.266 381 E C -0.696 175.846 176.600 -0.097 0.000 0.914 381 E CA -0.425 55.778 56.400 -0.329 0.000 0.794 381 E CB 1.926 31.392 29.700 -0.389 0.000 1.210 381 E HN 1.040 nan 8.360 nan 0.000 0.414 382 A N 1.410 124.226 122.820 -0.008 0.000 2.455 382 A HA 0.669 4.989 4.320 0.000 0.000 0.300 382 A C -0.854 176.769 177.584 0.066 0.000 1.040 382 A CA -0.611 51.441 52.037 0.024 0.000 0.697 382 A CB 1.918 20.913 19.000 -0.007 0.000 1.265 382 A HN 0.552 nan 8.150 nan 0.000 0.407 383 S N 0.181 115.939 115.700 0.096 0.000 2.664 383 S HA 0.935 5.405 4.470 0.000 0.000 0.304 383 S C -0.306 174.343 174.600 0.083 0.000 1.099 383 S CA 0.268 58.526 58.200 0.097 0.000 1.003 383 S CB 1.523 64.786 63.200 0.105 0.000 1.092 383 S HN 2.370 nan 8.310 nan 0.000 0.525 384 A N 1.782 124.640 122.820 0.064 0.000 2.608 384 A HA 0.688 5.008 4.320 0.000 0.000 0.292 384 A C -1.353 176.271 177.584 0.067 0.000 1.066 384 A CA -0.657 51.421 52.037 0.070 0.000 0.676 384 A CB 1.292 20.332 19.000 0.066 0.000 1.277 384 A HN 0.797 nan 8.150 nan 0.000 0.413 385 E N 0.170 120.452 120.200 0.136 0.000 2.288 385 E HA 0.653 5.003 4.350 0.000 0.000 0.268 385 E C -1.993 174.784 176.600 0.294 0.000 0.885 385 E CA -0.713 55.787 56.400 0.166 0.000 0.767 385 E CB 1.832 31.569 29.700 0.062 0.000 1.220 385 E HN 0.647 nan 8.360 nan 0.000 0.427 386 L N 3.648 125.074 121.223 0.338 0.000 2.319 386 L HA 0.459 4.799 4.340 0.000 0.000 0.281 386 L C -1.131 175.848 176.870 0.182 0.000 1.005 386 L CA -0.279 54.747 54.840 0.310 0.000 0.828 386 L CB 1.037 43.378 42.059 0.470 0.000 1.227 386 L HN 0.458 nan 8.230 nan 0.000 0.415 387 K N 4.982 125.441 120.400 0.097 0.000 2.110 387 K HA 0.537 4.857 4.320 0.000 0.000 0.263 387 K C -1.020 175.575 176.600 -0.008 0.000 0.975 387 K CA -0.756 55.573 56.287 0.070 0.000 0.895 387 K CB 1.482 34.005 32.500 0.039 0.000 1.060 387 K HN 0.544 nan 8.250 nan 0.000 0.448 388 L N 2.556 123.761 121.223 -0.029 0.000 2.278 388 L HA 0.195 4.535 4.340 0.000 0.000 0.287 388 L C 1.149 177.932 176.870 -0.146 0.000 1.072 388 L CA -0.412 54.306 54.840 -0.203 0.000 0.819 388 L CB 0.883 42.811 42.059 -0.217 0.000 1.176 388 L HN 0.855 nan 8.230 nan 0.000 0.435 389 G N 1.729 110.413 108.800 -0.193 0.000 3.048 389 G HA2 0.502 4.462 3.960 0.000 0.000 0.151 389 G HA3 0.502 4.462 3.960 0.000 0.000 0.151 389 G C 0.706 175.629 174.900 0.040 0.000 1.803 389 G CA 0.524 45.583 45.100 -0.067 0.000 1.047 389 G HN 0.921 nan 8.290 nan 0.000 0.513 390 G N -0.738 108.130 108.800 0.114 0.000 2.979 390 G HA2 -0.202 3.758 3.960 0.000 0.000 0.238 390 G HA3 -0.202 3.758 3.960 0.000 0.000 0.238 390 G C 0.655 175.711 174.900 0.260 0.000 1.805 390 G CA 0.779 46.072 45.100 0.322 0.000 1.389 390 G HN 1.266 nan 8.290 nan 0.000 0.517 391 R N -0.198 120.438 120.500 0.227 0.000 3.158 391 R HA -0.158 4.182 4.340 0.000 0.000 0.244 391 R C -0.537 175.957 176.300 0.323 0.000 0.900 391 R CA 1.379 57.596 56.100 0.196 0.000 0.618 391 R CB -1.727 28.648 30.300 0.125 0.000 1.061 391 R HN 1.293 nan 8.270 nan 0.000 0.471 392 F N 0.845 120.842 119.950 0.078 0.000 3.176 392 F HA 0.016 4.543 4.527 0.000 0.000 0.468 392 F C -0.687 175.135 175.800 0.036 0.000 0.908 392 F CA -0.878 57.161 58.000 0.064 0.000 1.254 392 F CB 0.180 39.238 39.000 0.097 0.000 2.944 392 F HN 0.160 nan 8.300 nan 0.000 0.553 393 D N 3.320 123.674 120.400 -0.076 0.000 2.425 393 D HA 0.197 4.837 4.640 0.000 0.000 0.247 393 D C -2.639 173.446 176.300 -0.359 0.000 1.147 393 D CA -1.054 52.842 54.000 -0.173 0.000 0.879 393 D CB 1.147 41.878 40.800 -0.115 0.000 1.179 393 D HN 0.133 nan 8.370 nan 0.000 0.456 394 P HA 0.241 nan 4.420 nan 0.000 0.277 394 P C -2.617 174.467 177.300 -0.359 0.000 1.271 394 P CA -1.566 61.181 63.100 -0.587 0.000 0.795 394 P CB -0.260 30.818 31.700 -1.036 0.000 1.101 395 P HA 0.120 nan 4.420 nan 0.000 0.271 395 P C -0.708 176.490 177.300 -0.170 0.000 1.220 395 P CA 0.249 63.234 63.100 -0.192 0.000 0.768 395 P CB 0.472 32.079 31.700 -0.154 0.000 0.848 396 V N 3.869 123.693 119.914 -0.149 0.000 3.007 396 V HA 0.409 4.529 4.120 0.000 0.000 0.311 396 V C 0.100 176.119 176.094 -0.125 0.000 1.120 396 V CA -0.931 61.292 62.300 -0.129 0.000 0.980 396 V CB 1.946 33.696 31.823 -0.121 0.000 1.033 396 V HN 0.368 nan 8.190 nan 0.000 0.429 397 I N 0.594 121.087 120.570 -0.129 0.000 2.330 397 I HA 0.665 4.835 4.170 0.000 0.000 0.289 397 I C 0.532 176.552 176.117 -0.161 0.000 1.001 397 I CA -0.131 61.079 61.300 -0.149 0.000 1.193 397 I CB 0.941 38.842 38.000 -0.166 0.000 1.345 397 I HN 0.473 nan 8.210 nan 0.000 0.461 398 R N 2.567 122.982 120.500 -0.141 0.000 1.950 398 R HA 0.280 4.620 4.340 0.000 0.000 0.197 398 R C 0.079 176.299 176.300 -0.134 0.000 1.471 398 R CA 0.030 56.056 56.100 -0.123 0.000 1.156 398 R CB -0.079 30.165 30.300 -0.093 0.000 0.905 398 R HN 0.608 nan 8.270 nan 0.000 0.489 399 Q N 1.170 120.906 119.800 -0.108 0.000 2.369 399 Q HA 0.344 4.684 4.340 0.000 0.000 0.247 399 Q C -1.073 174.870 176.000 -0.096 0.000 1.083 399 Q CA -0.043 55.707 55.803 -0.088 0.000 0.905 399 Q CB 1.555 30.260 28.738 -0.055 0.000 1.305 399 Q HN 0.285 nan 8.270 nan 0.000 0.465 400 A N 3.008 125.742 122.820 -0.143 0.000 2.374 400 A HA 0.684 5.004 4.320 0.000 0.000 0.317 400 A C -0.404 177.167 177.584 -0.021 0.000 1.094 400 A CA -0.834 51.112 52.037 -0.151 0.000 0.765 400 A CB 0.688 19.337 19.000 -0.585 0.000 1.268 400 A HN 0.641 nan 8.150 nan 0.000 0.438 401 F N 0.732 120.748 119.950 0.111 0.000 2.506 401 F HA 0.493 5.020 4.527 0.000 0.000 0.351 401 F C 0.420 176.367 175.800 0.244 0.000 1.136 401 F CA -0.339 57.764 58.000 0.171 0.000 1.298 401 F CB 0.371 39.505 39.000 0.222 0.000 1.145 401 F HN 0.751 nan 8.300 nan 0.000 0.593 402 Q N 0.896 120.791 119.800 0.159 0.000 2.418 402 Q HA 0.370 4.711 4.340 0.000 0.000 0.276 402 Q C -0.992 175.088 176.000 0.134 0.000 1.081 402 Q CA -1.245 54.591 55.803 0.055 0.000 0.864 402 Q CB 1.469 30.236 28.738 0.049 0.000 1.384 402 Q HN 0.831 nan 8.270 nan 0.000 0.467 403 E N 0.291 120.535 120.200 0.073 0.000 2.437 403 E HA -0.030 4.320 4.350 0.000 0.000 0.263 403 E C -0.977 175.672 176.600 0.082 0.000 1.030 403 E CA 0.263 56.717 56.400 0.090 0.000 0.934 403 E CB 0.677 30.407 29.700 0.050 0.000 0.943 403 E HN 0.549 nan 8.360 nan 0.000 0.444 404 E N 1.811 122.054 120.200 0.071 0.000 2.412 404 E HA 0.366 4.716 4.350 0.000 0.000 0.279 404 E C -1.657 174.927 176.600 -0.026 0.000 0.984 404 E CA -0.730 55.683 56.400 0.023 0.000 0.788 404 E CB 2.114 31.833 29.700 0.031 0.000 1.277 404 E HN 0.531 nan 8.360 nan 0.000 0.455 405 T N 3.047 117.559 114.554 -0.070 0.000 2.906 405 T HA 0.701 5.051 4.350 0.000 0.000 0.295 405 T C -0.688 173.974 174.700 -0.064 0.000 1.061 405 T CA -0.701 61.325 62.100 -0.123 0.000 1.000 405 T CB 1.179 69.851 68.868 -0.328 0.000 1.103 405 T HN 0.585 nan 8.240 nan 0.000 0.486 406 M N 0.408 120.005 119.600 -0.006 0.000 3.012 406 M HA 0.590 5.070 4.480 0.000 0.000 0.272 406 M C -1.858 174.443 176.300 0.001 0.000 1.187 406 M CA -1.065 54.208 55.300 -0.045 0.000 0.813 406 M CB 1.993 34.550 32.600 -0.071 0.000 1.626 406 M HN 0.595 nan 8.290 nan 0.000 0.507 407 E N 1.089 121.206 120.200 -0.139 0.000 2.248 407 E HA 0.743 5.093 4.350 0.000 0.000 0.272 407 E C -2.783 173.773 176.600 -0.073 0.000 1.008 407 E CA -1.919 54.411 56.400 -0.117 0.000 0.856 407 E CB 1.401 30.948 29.700 -0.256 0.000 1.120 407 E HN 0.463 nan 8.360 nan 0.000 0.397 408 P HA 0.156 nan 4.420 nan 0.000 0.272 408 P C 0.441 177.671 177.300 -0.117 0.000 1.230 408 P CA 0.609 63.659 63.100 -0.084 0.000 0.788 408 P CB 1.269 32.906 31.700 -0.105 0.000 0.949 409 G N 0.875 109.598 108.800 -0.128 0.000 2.793 409 G HA2 -0.093 3.867 3.960 0.000 0.000 0.197 409 G HA3 -0.093 3.867 3.960 0.000 0.000 0.197 409 G C -2.503 172.329 174.900 -0.112 0.000 2.112 409 G CA -0.235 44.793 45.100 -0.120 0.000 1.556 409 G HN 0.601 nan 8.290 nan 0.000 0.534 410 P HA 0.411 nan 4.420 nan 0.000 0.271 410 P C -0.122 177.050 177.300 -0.213 0.000 1.233 410 P CA 0.407 63.423 63.100 -0.140 0.000 0.789 410 P CB 0.853 32.474 31.700 -0.132 0.000 0.951 411 S N -0.078 115.460 115.700 -0.270 0.000 2.545 411 S HA 0.306 4.776 4.470 0.000 0.000 0.275 411 S C 0.200 174.295 174.600 -0.843 0.000 1.299 411 S CA -0.576 57.322 58.200 -0.503 0.000 1.048 411 S CB 0.437 63.385 63.200 -0.419 0.000 0.938 411 S HN 0.220 nan 8.310 nan 0.000 0.496 412 V N 3.546 122.908 119.914 -0.919 0.000 2.513 412 V HA 0.533 4.653 4.120 0.000 0.000 0.299 412 V C -1.192 174.322 176.094 -0.967 0.000 1.035 412 V CA -0.656 61.154 62.300 -0.816 0.000 0.889 412 V CB 1.146 32.669 31.823 -0.500 0.000 0.988 412 V HN 0.784 nan 8.190 nan 0.000 0.440 413 F N 4.587 124.459 119.950 -0.131 0.000 2.532 413 F HA 0.557 5.084 4.527 0.000 0.000 0.365 413 F C -0.145 175.648 175.800 -0.012 0.000 1.112 413 F CA -0.689 57.271 58.000 -0.066 0.000 1.082 413 F CB 0.942 39.930 39.000 -0.019 0.000 1.319 413 F HN 0.144 nan 8.300 nan 0.000 0.457 414 L N 3.408 124.607 121.223 -0.039 0.000 2.312 414 L HA 0.527 4.867 4.340 0.000 0.000 0.281 414 L C 0.009 176.928 176.870 0.083 0.000 1.070 414 L CA -0.618 54.127 54.840 -0.158 0.000 0.805 414 L CB 1.585 43.177 42.059 -0.780 0.000 1.174 414 L HN 0.511 nan 8.230 nan 0.000 0.434 415 K N 2.312 122.827 120.400 0.190 0.000 2.426 415 K HA 0.473 4.793 4.320 0.000 0.000 0.254 415 K C -1.713 175.025 176.600 0.229 0.000 0.936 415 K CA -0.481 55.777 56.287 -0.049 0.000 0.801 415 K CB 1.876 34.120 32.500 -0.426 0.000 1.139 415 K HN 0.615 nan 8.250 nan 0.000 0.424 416 c N 4.457 123.177 118.600 0.199 0.000 2.291 416 c HA 0.365 4.935 4.570 0.000 0.000 0.322 416 c C -0.430 173.604 174.090 -0.093 0.000 1.205 416 c CA -0.702 55.654 56.329 0.045 0.000 1.495 416 c CB 0.462 42.906 42.510 -0.111 0.000 2.127 416 c HN 0.514 nan 8.230 nan 0.000 0.452 417 V N 4.833 124.675 119.914 -0.121 0.000 2.334 417 V HA 0.590 4.710 4.120 0.000 0.000 0.267 417 V C 0.593 176.608 176.094 -0.132 0.000 1.040 417 V CA 0.084 62.297 62.300 -0.145 0.000 0.866 417 V CB 0.940 32.684 31.823 -0.132 0.000 1.019 417 V HN 0.955 nan 8.190 nan 0.000 0.468 418 A N 4.329 127.068 122.820 -0.135 0.000 2.324 418 A HA 0.930 5.250 4.320 0.000 0.000 0.330 418 A C 0.321 177.834 177.584 -0.117 0.000 1.165 418 A CA -0.061 51.899 52.037 -0.129 0.000 0.813 418 A CB 1.501 20.421 19.000 -0.135 0.000 1.197 418 A HN 0.893 nan 8.150 nan 0.000 0.484 419 G N -0.655 108.077 108.800 -0.114 0.000 2.644 419 G HA2 0.856 4.816 3.960 0.000 0.000 0.307 419 G HA3 0.856 4.816 3.960 0.000 0.000 0.307 419 G C -0.078 174.747 174.900 -0.124 0.000 1.250 419 G CA -0.428 44.608 45.100 -0.107 0.000 0.996 419 G HN 1.980 nan 8.290 nan 0.000 0.489 420 G N -0.955 107.769 108.800 -0.127 0.000 2.352 420 G HA2 0.311 4.271 3.960 0.000 0.000 0.302 420 G HA3 0.311 4.271 3.960 0.000 0.000 0.302 420 G C -1.825 172.972 174.900 -0.172 0.000 1.370 420 G CA -0.756 44.247 45.100 -0.163 0.000 0.918 420 G HN 0.796 nan 8.290 nan 0.000 0.610 421 N N 1.176 119.735 118.700 -0.234 0.000 2.549 421 N HA 0.499 5.239 4.740 0.000 0.000 0.281 421 N C -2.860 172.359 175.510 -0.485 0.000 1.084 421 N CA -1.146 51.736 53.050 -0.281 0.000 0.862 421 N CB 2.913 41.261 38.487 -0.232 0.000 1.333 421 N HN 0.246 nan 8.380 nan 0.000 0.523 422 P HA 0.140 nan 4.420 nan 0.000 0.275 422 P C -0.416 176.784 177.300 -0.168 0.000 1.266 422 P CA -0.113 62.849 63.100 -0.231 0.000 0.793 422 P CB 0.436 32.032 31.700 -0.172 0.000 1.074 423 T N 2.660 117.146 114.554 -0.113 0.000 2.817 423 T HA 0.239 4.589 4.350 0.000 0.000 0.295 423 T C -1.933 172.716 174.700 -0.085 0.000 0.958 423 T CA -0.364 61.681 62.100 -0.091 0.000 1.157 423 T CB -0.665 68.167 68.868 -0.060 0.000 0.898 423 T HN 0.362 nan 8.240 nan 0.000 0.536 424 P HA 0.334 nan 4.420 nan 0.000 0.278 424 P C -0.308 176.953 177.300 -0.065 0.000 1.266 424 P CA -0.735 62.314 63.100 -0.085 0.000 0.807 424 P CB 0.824 32.462 31.700 -0.102 0.000 1.094 425 E N 0.203 120.371 120.200 -0.053 0.000 2.249 425 E HA 0.395 4.745 4.350 0.000 0.000 0.280 425 E C -0.376 176.189 176.600 -0.059 0.000 1.016 425 E CA -0.532 55.845 56.400 -0.038 0.000 0.830 425 E CB 0.975 30.664 29.700 -0.018 0.000 1.081 425 E HN 0.344 nan 8.360 nan 0.000 0.395 426 I N 2.885 123.421 120.570 -0.058 0.000 2.330 426 I HA 0.098 4.268 4.170 0.000 0.000 0.289 426 I C 0.084 176.152 176.117 -0.082 0.000 1.001 426 I CA -0.378 60.852 61.300 -0.116 0.000 1.193 426 I CB 1.235 39.143 38.000 -0.154 0.000 1.345 426 I HN 0.436 nan 8.210 nan 0.000 0.461 427 S N 4.817 120.450 115.700 -0.113 0.000 2.549 427 S HA 0.577 5.047 4.470 0.000 0.000 0.297 427 S C -1.234 173.303 174.600 -0.105 0.000 1.115 427 S CA -0.702 57.486 58.200 -0.019 0.000 1.059 427 S CB 1.325 64.529 63.200 0.007 0.000 1.046 427 S HN 0.441 nan 8.310 nan 0.000 0.506 428 W N 0.835 122.166 121.300 0.051 0.000 2.551 428 W HA 0.587 5.247 4.660 0.000 0.000 0.330 428 W C 0.433 176.974 176.519 0.037 0.000 1.063 428 W CA -0.408 56.980 57.345 0.072 0.000 1.222 428 W CB 1.313 30.831 29.460 0.096 0.000 1.349 428 W HN 0.678 nan 8.180 nan 0.000 0.536 429 E N 2.349 122.717 120.200 0.280 0.000 2.317 429 E HA 0.517 4.867 4.350 0.000 0.000 0.270 429 E C -1.690 174.952 176.600 0.070 0.000 0.885 429 E CA -1.277 55.197 56.400 0.123 0.000 0.760 429 E CB 2.768 32.502 29.700 0.055 0.000 1.227 429 E HN 0.389 nan 8.360 nan 0.000 0.434 430 L N 2.612 123.784 121.223 -0.086 0.000 2.372 430 L HA 0.323 4.663 4.340 0.000 0.000 0.273 430 L C -1.153 175.623 176.870 -0.156 0.000 0.989 430 L CA -0.164 54.510 54.840 -0.276 0.000 0.841 430 L CB 0.754 42.502 42.059 -0.518 0.000 1.225 430 L HN 0.591 nan 8.230 nan 0.000 0.414 431 D N 4.253 124.593 120.400 -0.100 0.000 2.737 431 D HA -0.193 4.447 4.640 0.000 0.000 0.233 431 D C 1.100 177.386 176.300 -0.023 0.000 1.155 431 D CA 1.692 55.669 54.000 -0.038 0.000 0.667 431 D CB -0.803 39.978 40.800 -0.031 0.000 1.060 431 D HN 1.152 nan 8.370 nan 0.000 0.427 432 G N -0.703 108.084 108.800 -0.021 0.000 2.225 432 G HA2 -0.391 3.569 3.960 0.000 0.000 0.254 432 G HA3 -0.391 3.569 3.960 0.000 0.000 0.254 432 G C 0.380 175.269 174.900 -0.019 0.000 0.988 432 G CA 0.399 45.491 45.100 -0.013 0.000 0.625 432 G HN 0.590 nan 8.290 nan 0.000 0.527 433 K N 1.271 121.650 120.400 -0.035 0.000 2.201 433 K HA 0.476 4.796 4.320 0.000 0.000 0.278 433 K C 0.067 176.642 176.600 -0.041 0.000 1.027 433 K CA -0.653 55.609 56.287 -0.041 0.000 0.909 433 K CB 0.375 32.839 32.500 -0.060 0.000 1.062 433 K HN 0.174 nan 8.250 nan 0.000 0.465 434 K N 4.683 125.070 120.400 -0.022 0.000 2.349 434 K HA 0.154 4.474 4.320 0.000 0.000 0.288 434 K C -0.261 176.320 176.600 -0.032 0.000 1.058 434 K CA -0.491 55.795 56.287 -0.001 0.000 0.953 434 K CB 0.217 32.725 32.500 0.014 0.000 0.997 434 K HN 0.388 nan 8.250 nan 0.000 0.477 435 I N 0.386 120.933 120.570 -0.039 0.000 2.493 435 I HA 0.630 4.800 4.170 0.000 0.000 0.298 435 I C 0.052 176.150 176.117 -0.031 0.000 0.998 435 I CA -0.686 60.542 61.300 -0.119 0.000 1.137 435 I CB 1.719 39.511 38.000 -0.347 0.000 1.310 435 I HN 0.575 nan 8.210 nan 0.000 0.445 436 A N 3.381 126.179 122.820 -0.036 0.000 3.540 436 A HA 0.594 4.914 4.320 0.000 0.000 0.180 436 A C 0.014 177.618 177.584 0.034 0.000 1.231 436 A CA -0.642 51.409 52.037 0.024 0.000 0.873 436 A CB 0.166 19.181 19.000 0.025 0.000 1.548 436 A HN 0.680 nan 8.150 nan 0.000 0.570 437 N N 2.093 120.822 118.700 0.047 0.000 3.127 437 N HA 0.100 4.840 4.740 0.000 0.000 0.317 437 N C -1.087 174.451 175.510 0.046 0.000 1.242 437 N CA 0.320 53.404 53.050 0.056 0.000 1.203 437 N CB -0.958 37.558 38.487 0.048 0.000 1.462 437 N HN 0.458 nan 8.380 nan 0.000 0.546 438 N N 0.321 119.049 118.700 0.047 0.000 2.405 438 N HA 0.189 4.929 4.740 0.000 0.000 0.299 438 N C 0.296 175.859 175.510 0.088 0.000 1.075 438 N CA -0.757 52.309 53.050 0.028 0.000 0.884 438 N CB 1.538 40.002 38.487 -0.039 0.000 1.194 438 N HN 0.044 nan 8.380 nan 0.000 0.491 439 D N 0.589 121.023 120.400 0.056 0.000 3.927 439 D HA -0.290 4.350 4.640 0.000 0.000 0.142 439 D C 0.035 176.368 176.300 0.056 0.000 0.830 439 D CA 1.820 55.855 54.000 0.057 0.000 1.091 439 D CB -0.226 40.624 40.800 0.083 0.000 0.495 439 D HN 0.777 nan 8.370 nan 0.000 0.489 440 R N -0.601 119.935 120.500 0.061 0.000 2.613 440 R HA 0.356 4.696 4.340 0.000 0.000 0.361 440 R C -0.325 175.929 176.300 -0.077 0.000 1.072 440 R CA -0.285 55.797 56.100 -0.029 0.000 1.089 440 R CB -0.170 30.067 30.300 -0.105 0.000 1.343 440 R HN 0.188 nan 8.270 nan 0.000 0.571 441 Y N 1.973 122.238 120.300 -0.059 0.000 2.336 441 Y HA 0.230 4.780 4.550 0.000 0.000 0.335 441 Y C 0.411 176.281 175.900 -0.049 0.000 1.046 441 Y CA -0.322 57.741 58.100 -0.061 0.000 1.198 441 Y CB 1.105 39.536 38.460 -0.047 0.000 1.182 441 Y HN 0.024 nan 8.280 nan 0.000 0.502 442 Q N 2.725 122.555 119.800 0.050 0.000 2.333 442 Q HA 0.667 5.007 4.340 0.000 0.000 0.267 442 Q C -1.397 174.615 176.000 0.021 0.000 1.012 442 Q CA -1.010 54.816 55.803 0.038 0.000 0.824 442 Q CB 2.746 31.494 28.738 0.017 0.000 1.290 442 Q HN 0.401 nan 8.270 nan 0.000 0.449 443 V N 1.323 121.262 119.914 0.042 0.000 2.531 443 V HA 0.785 4.905 4.120 0.000 0.000 0.301 443 V C 0.028 176.187 176.094 0.108 0.000 1.034 443 V CA -0.662 61.662 62.300 0.040 0.000 0.865 443 V CB 1.748 33.609 31.823 0.063 0.000 0.995 443 V HN 0.884 nan 8.190 nan 0.000 0.424 444 G N 2.890 111.784 108.800 0.157 0.000 2.630 444 G HA2 0.755 4.715 3.960 0.000 0.000 0.296 444 G HA3 0.755 4.715 3.960 0.000 0.000 0.296 444 G C -1.350 173.684 174.900 0.223 0.000 1.285 444 G CA -0.560 44.654 45.100 0.190 0.000 0.958 444 G HN 0.668 nan 8.290 nan 0.000 0.479 445 Q N -0.411 119.505 119.800 0.193 0.000 2.443 445 Q HA 0.382 4.722 4.340 0.000 0.000 0.241 445 Q C -2.015 174.072 176.000 0.146 0.000 0.880 445 Q CA -0.798 55.077 55.803 0.121 0.000 0.974 445 Q CB 1.383 30.183 28.738 0.102 0.000 1.482 445 Q HN 0.810 nan 8.270 nan 0.000 0.448 446 Y N 0.439 120.793 120.300 0.089 0.000 2.686 446 Y HA 0.913 5.463 4.550 0.000 0.000 0.330 446 Y C -1.303 174.622 175.900 0.043 0.000 1.082 446 Y CA -1.180 56.956 58.100 0.060 0.000 1.158 446 Y CB 1.255 39.751 38.460 0.061 0.000 1.333 446 Y HN 0.153 nan 8.280 nan 0.000 0.519 447 V N 1.685 121.768 119.914 0.283 0.000 2.540 447 V HA 0.401 4.521 4.120 0.000 0.000 0.302 447 V C -0.069 176.176 176.094 0.252 0.000 1.035 447 V CA -0.598 61.789 62.300 0.144 0.000 0.873 447 V CB 1.537 33.409 31.823 0.081 0.000 0.992 447 V HN 1.020 nan 8.190 nan 0.000 0.428 448 T N 1.336 115.988 114.554 0.164 0.000 2.828 448 T HA 0.292 4.642 4.350 0.000 0.000 0.290 448 T C 1.324 176.079 174.700 0.092 0.000 1.019 448 T CA -0.448 61.755 62.100 0.173 0.000 1.031 448 T CB 1.325 70.261 68.868 0.114 0.000 1.001 448 T HN 0.248 nan 8.240 nan 0.000 0.531 449 V N 1.847 121.805 119.914 0.074 0.000 2.453 449 V HA -0.204 3.916 4.120 0.000 0.000 0.252 449 V C 2.289 178.399 176.094 0.027 0.000 1.068 449 V CA 1.974 64.299 62.300 0.042 0.000 1.070 449 V CB -1.085 30.756 31.823 0.031 0.000 0.664 449 V HN 0.791 nan 8.190 nan 0.000 0.461 450 N N 0.171 118.886 118.700 0.024 0.000 2.457 450 N HA 0.103 4.843 4.740 0.000 0.000 0.180 450 N C 1.480 176.989 175.510 -0.002 0.000 1.050 450 N CA 1.114 54.169 53.050 0.008 0.000 0.906 450 N CB 0.316 38.805 38.487 0.004 0.000 0.968 450 N HN 0.603 nan 8.380 nan 0.000 0.445 451 G N 0.190 108.991 108.800 0.002 0.000 2.135 451 G HA2 -0.188 3.772 3.960 0.000 0.000 0.183 451 G HA3 -0.188 3.772 3.960 0.000 0.000 0.183 451 G C -0.992 173.889 174.900 -0.032 0.000 1.004 451 G CA -0.355 44.738 45.100 -0.013 0.000 0.677 451 G HN 0.224 nan 8.290 nan 0.000 0.512 452 D N -0.373 120.009 120.400 -0.031 0.000 2.181 452 D HA 0.566 5.206 4.640 0.000 0.000 0.248 452 D C 0.252 176.505 176.300 -0.078 0.000 1.020 452 D CA -0.389 53.575 54.000 -0.060 0.000 0.891 452 D CB 2.083 42.846 40.800 -0.061 0.000 1.187 452 D HN 0.056 nan 8.370 nan 0.000 0.443 453 V N 2.188 122.037 119.914 -0.107 0.000 2.406 453 V HA 0.178 4.298 4.120 0.000 0.000 0.272 453 V C -0.126 175.836 176.094 -0.219 0.000 1.043 453 V CA -0.453 61.760 62.300 -0.145 0.000 0.915 453 V CB 1.476 33.233 31.823 -0.109 0.000 0.988 453 V HN 0.262 nan 8.190 nan 0.000 0.466 454 V N 5.474 125.149 119.914 -0.398 0.000 2.311 454 V HA 0.355 4.475 4.120 0.000 0.000 0.275 454 V C 0.284 176.142 176.094 -0.393 0.000 1.022 454 V CA -0.046 61.957 62.300 -0.495 0.000 0.830 454 V CB 1.450 32.759 31.823 -0.856 0.000 1.012 454 V HN 0.834 nan 8.190 nan 0.000 0.452 455 S N 5.113 120.714 115.700 -0.165 0.000 2.449 455 S HA 0.705 5.175 4.470 0.000 0.000 0.310 455 S C -1.167 173.546 174.600 0.189 0.000 1.096 455 S CA -0.363 57.886 58.200 0.081 0.000 1.095 455 S CB 0.649 63.959 63.200 0.184 0.000 1.007 455 S HN 0.496 nan 8.310 nan 0.000 0.474 456 Y N 3.135 123.577 120.300 0.236 0.000 2.420 456 Y HA 0.646 5.196 4.550 0.000 0.000 0.334 456 Y C -0.294 175.555 175.900 -0.086 0.000 1.094 456 Y CA -0.936 57.247 58.100 0.138 0.000 1.126 456 Y CB 1.736 40.242 38.460 0.076 0.000 1.217 456 Y HN 0.575 nan 8.280 nan 0.000 0.462 457 L N 5.142 126.213 121.223 -0.253 0.000 2.353 457 L HA 0.545 4.885 4.340 0.000 0.000 0.270 457 L C -1.661 175.029 176.870 -0.300 0.000 1.003 457 L CA -0.862 53.581 54.840 -0.662 0.000 0.862 457 L CB 0.236 41.234 42.059 -1.768 0.000 1.221 457 L HN 0.510 nan 8.230 nan 0.000 0.430 458 N N 5.593 124.225 118.700 -0.113 0.000 2.422 458 N HA 0.444 5.184 4.740 0.000 0.000 0.266 458 N C -0.793 174.595 175.510 -0.202 0.000 1.007 458 N CA -0.092 52.940 53.050 -0.029 0.000 0.941 458 N CB 2.214 40.782 38.487 0.135 0.000 1.115 458 N HN 0.656 nan 8.380 nan 0.000 0.492 459 I N 1.548 121.894 120.570 -0.373 0.000 2.339 459 I HA 0.131 4.301 4.170 0.000 0.000 0.290 459 I C 1.067 176.947 176.117 -0.395 0.000 0.994 459 I CA -0.155 60.841 61.300 -0.507 0.000 1.191 459 I CB 0.962 38.567 38.000 -0.659 0.000 1.343 459 I HN 0.498 nan 8.210 nan 0.000 0.458 460 T N 3.663 118.047 114.554 -0.283 0.000 2.684 460 T HA -0.142 4.208 4.350 0.000 0.000 0.267 460 T C 0.760 175.359 174.700 -0.169 0.000 1.036 460 T CA 1.462 63.459 62.100 -0.171 0.000 1.148 460 T CB -0.093 68.711 68.868 -0.107 0.000 0.863 460 T HN 0.560 nan 8.240 nan 0.000 0.436 461 S N 0.919 116.529 115.700 -0.151 0.000 2.385 461 S HA 0.329 4.799 4.470 0.000 0.000 0.191 461 S C -0.586 174.009 174.600 -0.009 0.000 1.196 461 S CA -0.726 57.427 58.200 -0.080 0.000 1.178 461 S CB 0.684 63.886 63.200 0.002 0.000 1.258 461 S HN 0.255 nan 8.310 nan 0.000 0.430 462 V N 5.626 125.469 119.914 -0.119 0.000 2.625 462 V HA 0.152 4.273 4.120 0.000 0.000 0.305 462 V C -0.177 175.945 176.094 0.046 0.000 1.055 462 V CA 1.115 63.366 62.300 -0.081 0.000 1.209 462 V CB -0.209 31.532 31.823 -0.135 0.000 0.877 462 V HN 0.897 nan 8.190 nan 0.000 0.489 463 H N 4.913 123.930 119.070 -0.089 0.000 2.508 463 H HA 0.632 5.188 4.556 0.000 0.000 0.344 463 H C 1.091 176.392 175.328 -0.044 0.000 1.192 463 H CA 0.104 56.113 56.048 -0.065 0.000 1.290 463 H CB 1.653 31.379 29.762 -0.060 0.000 1.571 463 H HN 0.800 nan 8.280 nan 0.000 0.555 464 A N 2.196 125.009 122.820 -0.013 0.000 1.957 464 A HA -0.353 3.967 4.320 0.000 0.000 0.224 464 A C 1.040 178.625 177.584 0.003 0.000 1.287 464 A CA 2.714 54.733 52.037 -0.030 0.000 0.682 464 A CB -0.859 18.086 19.000 -0.092 0.000 0.833 464 A HN 0.900 nan 8.150 nan 0.000 0.482 465 N N -2.229 116.461 118.700 -0.016 0.000 2.497 465 N HA 0.260 5.000 4.740 0.000 0.000 0.284 465 N C -0.370 175.201 175.510 0.102 0.000 1.459 465 N CA 0.179 53.229 53.050 0.000 0.000 0.899 465 N CB 0.622 38.954 38.487 -0.258 0.000 1.316 465 N HN 0.194 nan 8.380 nan 0.000 0.500 466 D N 0.223 120.715 120.400 0.153 0.000 2.289 466 D HA 0.041 4.681 4.640 0.000 0.000 0.207 466 D C 1.009 177.502 176.300 0.323 0.000 0.966 466 D CA 0.494 54.647 54.000 0.255 0.000 0.868 466 D CB -0.245 40.696 40.800 0.234 0.000 0.943 466 D HN 0.497 nan 8.370 nan 0.000 0.514 467 G N -0.551 108.400 108.800 0.250 0.000 2.554 467 G HA2 0.430 4.390 3.960 0.000 0.000 0.238 467 G HA3 0.430 4.390 3.960 0.000 0.000 0.238 467 G C 0.517 175.576 174.900 0.264 0.000 1.259 467 G CA 0.428 45.699 45.100 0.284 0.000 0.843 467 G HN 0.360 nan 8.290 nan 0.000 0.582 468 G N -0.328 108.650 108.800 0.297 0.000 2.452 468 G HA2 0.426 4.386 3.960 0.000 0.000 0.224 468 G HA3 0.426 4.386 3.960 0.000 0.000 0.224 468 G C -1.651 173.388 174.900 0.231 0.000 1.208 468 G CA -0.409 44.803 45.100 0.186 0.000 0.946 468 G HN 1.258 nan 8.290 nan 0.000 0.481 469 L N 1.400 122.701 121.223 0.130 0.000 2.264 469 L HA 0.759 5.099 4.340 0.000 0.000 0.287 469 L C -1.243 175.718 176.870 0.151 0.000 1.039 469 L CA -1.411 53.529 54.840 0.167 0.000 0.829 469 L CB -0.129 41.985 42.059 0.092 0.000 1.211 469 L HN 0.432 nan 8.230 nan 0.000 0.427 470 Y N 4.539 124.974 120.300 0.225 0.000 2.310 470 Y HA 0.564 5.114 4.550 0.000 0.000 0.326 470 Y C 0.317 176.449 175.900 0.387 0.000 1.151 470 Y CA -0.188 58.098 58.100 0.311 0.000 1.195 470 Y CB 1.180 39.825 38.460 0.309 0.000 1.210 470 Y HN 0.577 nan 8.280 nan 0.000 0.483 471 K N 1.728 122.396 120.400 0.446 0.000 2.498 471 K HA 0.736 5.056 4.320 0.000 0.000 0.254 471 K C -1.467 175.213 176.600 0.133 0.000 0.933 471 K CA -0.890 55.562 56.287 0.274 0.000 0.806 471 K CB 1.281 33.819 32.500 0.065 0.000 1.301 471 K HN 0.713 nan 8.250 nan 0.000 0.432 472 c N 1.663 120.195 118.600 -0.113 0.000 2.358 472 c HA 0.746 5.316 4.570 0.000 0.000 0.342 472 c C 0.046 173.970 174.090 -0.277 0.000 1.234 472 c CA -0.866 55.131 56.329 -0.553 0.000 1.969 472 c CB -0.772 41.136 42.510 -1.004 0.000 2.346 472 c HN 0.801 nan 8.230 nan 0.000 0.525 473 I N 3.423 123.832 120.570 -0.268 0.000 2.382 473 I HA 0.425 4.595 4.170 0.000 0.000 0.285 473 I C 0.593 176.614 176.117 -0.160 0.000 1.007 473 I CA -0.341 60.866 61.300 -0.155 0.000 1.142 473 I CB 1.353 39.296 38.000 -0.096 0.000 1.289 473 I HN 0.929 nan 8.210 nan 0.000 0.453 474 A N 7.362 130.098 122.820 -0.139 0.000 2.527 474 A HA 0.277 4.597 4.320 0.000 0.000 0.313 474 A C 0.016 177.541 177.584 -0.098 0.000 1.410 474 A CA -0.283 51.679 52.037 -0.127 0.000 1.060 474 A CB 0.011 18.933 19.000 -0.129 0.000 1.137 474 A HN 0.598 nan 8.150 nan 0.000 0.542 475 K N 2.138 122.488 120.400 -0.082 0.000 2.185 475 K HA 0.495 4.815 4.320 0.000 0.000 0.269 475 K C -0.715 175.848 176.600 -0.062 0.000 0.987 475 K CA -0.017 56.233 56.287 -0.062 0.000 0.865 475 K CB 1.325 33.798 32.500 -0.044 0.000 1.090 475 K HN 0.571 nan 8.250 nan 0.000 0.450 476 S N 2.569 118.232 115.700 -0.062 0.000 2.568 476 S HA 0.273 4.743 4.470 0.000 0.000 0.293 476 S C 0.489 175.069 174.600 -0.033 0.000 1.089 476 S CA -0.758 57.403 58.200 -0.064 0.000 0.945 476 S CB 1.106 64.242 63.200 -0.106 0.000 1.077 476 S HN 0.668 nan 8.310 nan 0.000 0.485 477 K N 1.648 122.036 120.400 -0.019 0.000 2.589 477 K HA 0.129 4.449 4.320 0.000 0.000 0.192 477 K C 0.722 177.353 176.600 0.052 0.000 1.029 477 K CA 0.599 56.896 56.287 0.017 0.000 1.031 477 K CB -0.027 32.488 32.500 0.026 0.000 0.821 477 K HN 0.293 nan 8.250 nan 0.000 0.502 478 V N 0.255 120.185 119.914 0.026 0.000 3.319 478 V HA 0.338 4.458 4.120 0.000 0.000 0.317 478 V C 0.157 176.295 176.094 0.073 0.000 1.411 478 V CA 0.638 62.993 62.300 0.092 0.000 1.112 478 V CB 0.131 31.963 31.823 0.014 0.000 1.031 478 V HN 0.693 nan 8.190 nan 0.000 0.448 479 G N -0.706 108.111 108.800 0.028 0.000 2.347 479 G HA2 0.258 4.218 3.960 0.000 0.000 0.477 479 G HA3 0.258 4.218 3.960 0.000 0.000 0.477 479 G C -1.670 173.212 174.900 -0.029 0.000 1.349 479 G CA 0.012 45.126 45.100 0.022 0.000 1.000 479 G HN 0.650 nan 8.290 nan 0.000 0.605 480 V N -0.430 119.469 119.914 -0.024 0.000 3.001 480 V HA 1.025 5.145 4.120 0.000 0.000 0.314 480 V C -0.213 175.850 176.094 -0.051 0.000 1.099 480 V CA 0.345 62.620 62.300 -0.042 0.000 0.989 480 V CB 1.922 33.730 31.823 -0.026 0.000 1.040 480 V HN 2.717 nan 8.190 nan 0.000 0.434 481 A N 4.208 126.989 122.820 -0.065 0.000 2.491 481 A HA 0.755 5.075 4.320 0.000 0.000 0.293 481 A C -0.987 176.558 177.584 -0.064 0.000 1.047 481 A CA -0.348 51.652 52.037 -0.063 0.000 0.735 481 A CB 1.459 20.410 19.000 -0.082 0.000 1.281 481 A HN 1.013 nan 8.150 nan 0.000 0.398 482 E N 1.424 121.597 120.200 -0.045 0.000 2.299 482 E HA 0.716 5.066 4.350 0.000 0.000 0.265 482 E C -1.269 175.334 176.600 0.005 0.000 0.911 482 E CA -0.788 55.587 56.400 -0.042 0.000 0.789 482 E CB 1.975 31.647 29.700 -0.047 0.000 1.246 482 E HN 0.762 nan 8.360 nan 0.000 0.427 483 H N 0.375 119.372 119.070 -0.122 0.000 2.924 483 H HA 0.407 4.963 4.556 0.000 0.000 0.333 483 H C -1.634 173.622 175.328 -0.119 0.000 0.979 483 H CA -0.381 55.583 56.048 -0.140 0.000 1.326 483 H CB 1.725 31.373 29.762 -0.189 0.000 1.600 483 H HN 0.461 nan 8.280 nan 0.000 0.520 484 S N 2.874 118.209 115.700 -0.608 0.000 2.651 484 S HA 0.961 5.431 4.470 0.000 0.000 0.291 484 S C -0.756 173.443 174.600 -0.669 0.000 1.141 484 S CA -0.056 57.892 58.200 -0.420 0.000 1.027 484 S CB 1.548 64.643 63.200 -0.174 0.000 1.043 484 S HN 0.919 nan 8.310 nan 0.000 0.530 485 A N 1.449 124.127 122.820 -0.237 0.000 2.599 485 A HA 0.618 4.938 4.320 0.000 0.000 0.294 485 A C -1.442 176.272 177.584 0.218 0.000 1.055 485 A CA -0.794 51.162 52.037 -0.136 0.000 0.683 485 A CB 1.133 19.842 19.000 -0.485 0.000 1.278 485 A HN 0.617 nan 8.150 nan 0.000 0.412 486 K N 0.728 121.231 120.400 0.172 0.000 2.183 486 K HA 0.598 4.918 4.320 0.000 0.000 0.274 486 K C -1.617 175.113 176.600 0.218 0.000 1.009 486 K CA -0.588 55.821 56.287 0.204 0.000 0.888 486 K CB 1.115 33.691 32.500 0.127 0.000 1.078 486 K HN 0.607 nan 8.250 nan 0.000 0.459 487 L N 4.625 126.001 121.223 0.254 0.000 2.319 487 L HA 0.419 4.759 4.340 0.000 0.000 0.281 487 L C -1.528 175.431 176.870 0.147 0.000 1.005 487 L CA -0.343 54.583 54.840 0.144 0.000 0.828 487 L CB 1.196 43.265 42.059 0.016 0.000 1.227 487 L HN 0.526 nan 8.230 nan 0.000 0.415 488 N N 3.770 122.512 118.700 0.069 0.000 2.400 488 N HA 0.660 5.400 4.740 0.000 0.000 0.288 488 N C -1.236 174.332 175.510 0.095 0.000 1.024 488 N CA -0.371 52.725 53.050 0.076 0.000 0.894 488 N CB 2.318 40.755 38.487 -0.083 0.000 1.173 488 N HN 0.328 nan 8.380 nan 0.000 0.487 489 V N 2.413 122.426 119.914 0.166 0.000 2.604 489 V HA 0.301 4.421 4.120 0.000 0.000 0.305 489 V C -0.862 175.388 176.094 0.259 0.000 1.043 489 V CA -0.810 61.602 62.300 0.187 0.000 0.888 489 V CB 1.106 33.004 31.823 0.124 0.000 0.995 489 V HN 0.524 nan 8.190 nan 0.000 0.429 490 Y N 3.282 123.631 120.300 0.082 0.000 2.531 490 Y HA 0.589 5.139 4.550 0.000 0.000 0.347 490 Y C 0.901 176.819 175.900 0.031 0.000 1.024 490 Y CA 0.811 58.971 58.100 0.100 0.000 1.306 490 Y CB 0.881 39.389 38.460 0.079 0.000 1.149 490 Y HN 0.845 nan 8.280 nan 0.000 0.527 491 G N 2.191 111.044 108.800 0.087 0.000 2.548 491 G HA2 0.445 4.405 3.960 0.000 0.000 0.301 491 G HA3 0.445 4.405 3.960 0.000 0.000 0.301 491 G C -1.981 172.893 174.900 -0.043 0.000 1.349 491 G CA -1.091 44.016 45.100 0.011 0.000 0.792 491 G HN 0.239 nan 8.290 nan 0.000 0.481 492 L N 1.197 122.369 121.223 -0.085 0.000 2.453 492 L HA 0.436 4.776 4.340 0.000 0.000 0.261 492 L C -1.778 175.095 176.870 0.005 0.000 1.179 492 L CA -1.507 53.266 54.840 -0.111 0.000 0.813 492 L CB 0.317 42.246 42.059 -0.216 0.000 1.110 492 L HN 0.238 nan 8.230 nan 0.000 0.466 493 P HA 0.077 nan 4.420 nan 0.000 0.265 493 P C -1.699 175.690 177.300 0.148 0.000 1.193 493 P CA 0.316 63.459 63.100 0.072 0.000 0.765 493 P CB 0.130 31.861 31.700 0.051 0.000 0.823 494 Y N 3.132 123.427 120.300 -0.008 0.000 2.323 494 Y HA 0.465 5.015 4.550 0.000 0.000 0.322 494 Y C -1.396 174.500 175.900 -0.007 0.000 1.133 494 Y CA -0.794 57.303 58.100 -0.004 0.000 1.093 494 Y CB 1.016 39.480 38.460 0.007 0.000 1.203 494 Y HN 0.191 nan 8.280 nan 0.000 0.427 495 I N 6.638 126.954 120.570 -0.425 0.000 2.392 495 I HA 0.499 4.669 4.170 0.000 0.000 0.295 495 I C 0.267 176.077 176.117 -0.513 0.000 0.985 495 I CA -0.878 60.218 61.300 -0.339 0.000 1.221 495 I CB 1.355 39.203 38.000 -0.254 0.000 1.366 495 I HN 0.602 nan 8.210 nan 0.000 0.467 496 R N 3.282 123.630 120.500 -0.253 0.000 2.652 496 R HA 0.240 4.580 4.340 0.000 0.000 0.272 496 R C -0.145 176.073 176.300 -0.136 0.000 1.162 496 R CA -0.794 55.208 56.100 -0.163 0.000 1.199 496 R CB 0.394 30.686 30.300 -0.015 0.000 1.166 496 R HN 0.494 nan 8.270 nan 0.000 0.597 497 Q N 0.867 120.626 119.800 -0.069 0.000 2.354 497 Q HA 0.216 4.556 4.340 0.000 0.000 0.244 497 Q C -0.364 175.625 176.000 -0.018 0.000 0.969 497 Q CA 0.519 56.296 55.803 -0.042 0.000 0.885 497 Q CB 1.213 29.941 28.738 -0.017 0.000 1.241 497 Q HN 0.415 nan 8.270 nan 0.000 0.461 498 M N 1.838 121.436 119.600 -0.002 0.000 2.106 498 M HA 0.309 4.789 4.480 0.000 0.000 0.288 498 M C -0.303 176.013 176.300 0.027 0.000 0.941 498 M CA -0.344 54.970 55.300 0.023 0.000 0.934 498 M CB 1.917 34.550 32.600 0.056 0.000 1.551 498 M HN 0.292 nan 8.290 nan 0.000 0.437 499 E N 3.197 123.409 120.200 0.020 0.000 2.398 499 E HA 0.099 4.449 4.350 0.000 0.000 0.263 499 E C -0.310 176.305 176.600 0.025 0.000 1.046 499 E CA -0.291 56.120 56.400 0.018 0.000 0.908 499 E CB 0.794 30.500 29.700 0.010 0.000 0.963 499 E HN 0.501 nan 8.360 nan 0.000 0.431 500 K N 1.810 122.225 120.400 0.026 0.000 2.504 500 K HA -0.061 4.259 4.320 0.000 0.000 0.278 500 K C -0.235 176.377 176.600 0.019 0.000 1.025 500 K CA 0.177 56.482 56.287 0.030 0.000 1.093 500 K CB 0.340 32.856 32.500 0.028 0.000 0.873 500 K HN 0.053 nan 8.250 nan 0.000 0.483 501 K N 2.975 123.384 120.400 0.016 0.000 2.263 501 K HA 0.228 4.548 4.320 0.000 0.000 0.282 501 K C -1.030 175.564 176.600 -0.009 0.000 1.089 501 K CA -0.275 56.008 56.287 -0.006 0.000 0.907 501 K CB 0.857 33.339 32.500 -0.030 0.000 1.148 501 K HN 0.691 nan 8.250 nan 0.000 0.470 502 A N 6.609 129.424 122.820 -0.008 0.000 2.316 502 A HA 0.468 4.788 4.320 0.000 0.000 0.311 502 A C -0.567 177.007 177.584 -0.017 0.000 1.339 502 A CA -0.611 51.422 52.037 -0.008 0.000 0.960 502 A CB -0.164 18.834 19.000 -0.003 0.000 1.152 502 A HN 0.633 nan 8.150 nan 0.000 0.547 503 I N 3.062 123.619 120.570 -0.021 0.000 2.693 503 I HA 0.458 4.628 4.170 0.000 0.000 0.303 503 I C 0.213 176.315 176.117 -0.023 0.000 1.025 503 I CA -0.568 60.714 61.300 -0.029 0.000 1.086 503 I CB 1.983 39.956 38.000 -0.044 0.000 1.268 503 I HN 0.497 nan 8.210 nan 0.000 0.440 504 V N 1.859 121.757 119.914 -0.026 0.000 2.732 504 V HA 0.826 4.946 4.120 0.000 0.000 0.310 504 V C 0.491 176.569 176.094 -0.028 0.000 1.053 504 V CA -1.080 61.204 62.300 -0.027 0.000 0.957 504 V CB 1.312 33.116 31.823 -0.032 0.000 1.018 504 V HN 0.879 nan 8.190 nan 0.000 0.452 505 A N 2.513 125.317 122.820 -0.027 0.000 2.600 505 A HA 0.402 4.722 4.320 0.000 0.000 0.244 505 A C 1.718 179.286 177.584 -0.026 0.000 1.016 505 A CA 1.063 53.085 52.037 -0.025 0.000 0.778 505 A CB -1.197 17.787 19.000 -0.027 0.000 0.920 505 A HN 2.888 nan 8.150 nan 0.000 0.513 506 G N 1.427 110.214 108.800 -0.022 0.000 2.245 506 G HA2 -0.229 3.731 3.960 0.000 0.000 0.264 506 G HA3 -0.229 3.731 3.960 0.000 0.000 0.264 506 G C 0.189 175.076 174.900 -0.022 0.000 0.985 506 G CA 0.534 45.622 45.100 -0.021 0.000 0.625 506 G HN 0.897 nan 8.290 nan 0.000 0.536 507 E N 0.828 121.013 120.200 -0.026 0.000 2.392 507 E HA 0.387 4.737 4.350 0.000 0.000 0.259 507 E C 0.159 176.738 176.600 -0.034 0.000 1.108 507 E CA 0.293 56.676 56.400 -0.028 0.000 0.916 507 E CB 0.462 30.144 29.700 -0.030 0.000 0.989 507 E HN 0.168 nan 8.360 nan 0.000 0.432 508 T N 2.152 116.685 114.554 -0.035 0.000 2.733 508 T HA 0.303 4.653 4.350 0.000 0.000 0.294 508 T C 0.155 174.818 174.700 -0.061 0.000 0.956 508 T CA -0.468 61.606 62.100 -0.043 0.000 0.987 508 T CB 0.037 68.886 68.868 -0.031 0.000 0.920 508 T HN 0.238 nan 8.240 nan 0.000 0.470 509 L N 6.493 127.663 121.223 -0.088 0.000 2.315 509 L HA 0.557 4.897 4.340 0.000 0.000 0.283 509 L C -0.864 175.924 176.870 -0.137 0.000 1.089 509 L CA -0.307 54.459 54.840 -0.122 0.000 0.833 509 L CB -0.014 41.941 42.059 -0.173 0.000 1.170 509 L HN 0.575 nan 8.230 nan 0.000 0.442 510 I N 6.107 126.608 120.570 -0.114 0.000 2.389 510 I HA 0.533 4.703 4.170 0.000 0.000 0.288 510 I C -0.758 175.292 176.117 -0.113 0.000 0.999 510 I CA -0.791 60.442 61.300 -0.111 0.000 1.129 510 I CB 1.743 39.698 38.000 -0.074 0.000 1.288 510 I HN 0.401 nan 8.210 nan 0.000 0.444 511 V N 4.825 124.651 119.914 -0.146 0.000 2.808 511 V HA 0.556 4.676 4.120 0.000 0.000 0.308 511 V C -0.636 175.463 176.094 0.009 0.000 1.099 511 V CA 0.062 62.308 62.300 -0.090 0.000 0.920 511 V CB 2.722 34.445 31.823 -0.167 0.000 1.014 511 V HN 0.833 nan 8.190 nan 0.000 0.425 512 T N 5.001 119.630 114.554 0.125 0.000 2.786 512 T HA 0.223 4.573 4.350 0.000 0.000 0.283 512 T C -0.348 174.528 174.700 0.293 0.000 0.992 512 T CA -0.186 62.041 62.100 0.212 0.000 0.954 512 T CB 0.936 69.871 68.868 0.111 0.000 0.934 512 T HN 0.917 nan 8.240 nan 0.000 0.440 513 c N 8.297 127.143 118.600 0.410 0.000 2.667 513 c HA 0.249 4.819 4.570 0.000 0.000 0.385 513 c C -1.752 172.368 174.090 0.051 0.000 1.299 513 c CA -1.817 54.606 56.329 0.157 0.000 1.554 513 c CB -0.949 41.465 42.510 -0.161 0.000 2.275 513 c HN 0.547 nan 8.230 nan 0.000 0.588 514 P HA 0.157 nan 4.420 nan 0.000 0.268 514 P C 0.068 177.370 177.300 0.005 0.000 1.485 514 P CA 0.458 63.574 63.100 0.025 0.000 1.102 514 P CB 0.070 31.780 31.700 0.017 0.000 1.501 515 V N 1.303 121.231 119.914 0.023 0.000 3.036 515 V HA 0.906 5.026 4.120 0.000 0.000 0.308 515 V C -0.079 176.075 176.094 0.100 0.000 1.070 515 V CA -0.999 61.321 62.300 0.034 0.000 1.056 515 V CB 1.107 32.944 31.823 0.024 0.000 1.084 515 V HN 0.578 nan 8.190 nan 0.000 0.471 516 A N 1.170 124.076 122.820 0.144 0.000 2.572 516 A HA 0.970 5.290 4.320 0.000 0.000 0.295 516 A C 0.087 177.762 177.584 0.152 0.000 1.072 516 A CA -0.248 51.899 52.037 0.183 0.000 0.691 516 A CB 1.202 20.365 19.000 0.272 0.000 1.291 516 A HN 2.870 nan 8.150 nan 0.000 0.404 517 G N -0.816 108.060 108.800 0.127 0.000 2.907 517 G HA2 0.117 4.077 3.960 0.000 0.000 0.686 517 G HA3 0.117 4.077 3.960 0.000 0.000 0.686 517 G C -0.295 174.655 174.900 0.082 0.000 1.115 517 G CA 0.341 45.492 45.100 0.085 0.000 0.760 517 G HN 2.209 nan 8.290 nan 0.000 0.620 518 Y N 2.848 123.088 120.300 -0.100 0.000 2.503 518 Y HA 0.316 4.866 4.550 0.000 0.000 0.277 518 Y C -0.159 175.617 175.900 -0.207 0.000 1.102 518 Y CA 0.960 58.967 58.100 -0.155 0.000 1.261 518 Y CB 0.213 38.546 38.460 -0.212 0.000 1.096 518 Y HN 0.446 nan 8.280 nan 0.000 0.546 519 P HA -0.004 nan 4.420 nan 0.000 0.263 519 P C 0.255 177.335 177.300 -0.367 0.000 1.386 519 P CA 0.342 63.037 63.100 -0.676 0.000 0.797 519 P CB -0.409 31.047 31.700 -0.408 0.000 1.381 520 I N 1.790 122.198 120.570 -0.269 0.000 2.741 520 I HA -0.099 4.071 4.170 0.000 0.000 0.288 520 I C 1.067 177.119 176.117 -0.109 0.000 1.192 520 I CA 0.896 62.122 61.300 -0.123 0.000 1.426 520 I CB 0.464 38.434 38.000 -0.050 0.000 1.367 520 I HN -0.032 nan 8.210 nan 0.000 0.563 521 D N 4.672 125.031 120.400 -0.068 0.000 2.566 521 D HA 0.047 4.687 4.640 0.000 0.000 0.253 521 D C -0.194 176.092 176.300 -0.022 0.000 0.992 521 D CA 0.390 54.359 54.000 -0.051 0.000 0.940 521 D CB 0.539 41.314 40.800 -0.043 0.000 1.095 521 D HN 0.506 nan 8.370 nan 0.000 0.480 522 S N 0.209 115.899 115.700 -0.017 0.000 2.707 522 S HA 0.525 4.995 4.470 0.000 0.000 0.303 522 S C -0.528 174.065 174.600 -0.011 0.000 1.132 522 S CA -0.803 57.394 58.200 -0.005 0.000 1.046 522 S CB 1.248 64.443 63.200 -0.007 0.000 1.004 522 S HN 0.212 nan 8.310 nan 0.000 0.483 523 I N 3.203 123.776 120.570 0.004 0.000 2.371 523 I HA 0.436 4.606 4.170 0.000 0.000 0.282 523 I C -0.663 175.459 176.117 0.008 0.000 1.031 523 I CA -0.863 60.427 61.300 -0.017 0.000 1.180 523 I CB 1.469 39.472 38.000 0.006 0.000 1.336 523 I HN 0.451 nan 8.210 nan 0.000 0.467 524 V N 6.933 126.826 119.914 -0.036 0.000 2.555 524 V HA 0.458 4.578 4.120 0.000 0.000 0.302 524 V C -1.246 174.837 176.094 -0.018 0.000 1.038 524 V CA -0.405 61.912 62.300 0.028 0.000 0.887 524 V CB 2.013 33.852 31.823 0.027 0.000 0.991 524 V HN 0.622 nan 8.190 nan 0.000 0.434 525 W N 4.312 125.634 121.300 0.037 0.000 2.365 525 W HA 0.601 5.261 4.660 0.000 0.000 0.316 525 W C 0.285 176.835 176.519 0.051 0.000 1.164 525 W CA -0.130 57.249 57.345 0.055 0.000 1.204 525 W CB 1.055 30.560 29.460 0.075 0.000 1.213 525 W HN 0.516 nan 8.180 nan 0.000 0.539 526 E N 2.539 122.907 120.200 0.279 0.000 2.293 526 E HA 0.423 4.773 4.350 0.000 0.000 0.270 526 E C -0.748 175.946 176.600 0.158 0.000 0.879 526 E CA -1.343 55.155 56.400 0.164 0.000 0.756 526 E CB 2.391 32.128 29.700 0.062 0.000 1.208 526 E HN 0.076 nan 8.360 nan 0.000 0.428 527 R N 2.086 122.619 120.500 0.056 0.000 2.393 527 R HA 0.151 4.491 4.340 0.000 0.000 0.315 527 R C -1.045 175.214 176.300 -0.068 0.000 0.952 527 R CA -0.377 55.674 56.100 -0.082 0.000 0.842 527 R CB 0.541 30.722 30.300 -0.199 0.000 1.163 527 R HN 0.598 nan 8.270 nan 0.000 0.450 528 D N 2.866 123.221 120.400 -0.075 0.000 2.733 528 D HA -0.273 4.367 4.640 0.000 0.000 0.232 528 D C 0.639 176.921 176.300 -0.030 0.000 1.161 528 D CA 1.619 55.587 54.000 -0.053 0.000 0.653 528 D CB -0.802 39.960 40.800 -0.064 0.000 1.052 528 D HN 0.958 nan 8.370 nan 0.000 0.424 529 N N -2.021 116.669 118.700 -0.018 0.000 2.896 529 N HA -0.261 4.479 4.740 0.000 0.000 0.198 529 N C -0.054 175.455 175.510 -0.002 0.000 1.061 529 N CA 0.979 54.024 53.050 -0.009 0.000 1.096 529 N CB -0.375 38.105 38.487 -0.013 0.000 0.963 529 N HN 0.295 nan 8.380 nan 0.000 0.570 530 R N 1.367 121.865 120.500 -0.003 0.000 2.582 530 R HA 0.476 4.816 4.340 0.000 0.000 0.271 530 R C 0.275 176.591 176.300 0.027 0.000 1.078 530 R CA 0.471 56.575 56.100 0.006 0.000 1.127 530 R CB 0.716 31.015 30.300 -0.001 0.000 1.038 530 R HN 0.274 nan 8.270 nan 0.000 0.500 531 A N 2.486 125.327 122.820 0.034 0.000 2.462 531 A HA -0.009 4.311 4.320 0.000 0.000 0.243 531 A C 1.032 178.662 177.584 0.076 0.000 1.076 531 A CA -0.327 51.746 52.037 0.061 0.000 0.773 531 A CB 0.312 19.341 19.000 0.047 0.000 1.010 531 A HN 0.719 nan 8.150 nan 0.000 0.493 532 L N 3.177 124.480 121.223 0.133 0.000 2.275 532 L HA 0.081 4.421 4.340 0.000 0.000 0.215 532 L C -1.411 175.507 176.870 0.079 0.000 1.119 532 L CA 1.161 56.088 54.840 0.145 0.000 0.790 532 L CB -0.843 41.375 42.059 0.264 0.000 0.919 532 L HN 0.431 nan 8.230 nan 0.000 0.443 533 P HA 0.044 nan 4.420 nan 0.000 0.266 533 P C -0.021 177.285 177.300 0.009 0.000 1.419 533 P CA 0.475 63.578 63.100 0.005 0.000 1.112 533 P CB -0.153 31.534 31.700 -0.022 0.000 1.438 534 I N 0.197 120.777 120.570 0.016 0.000 4.390 534 I HA 0.309 4.479 4.170 0.000 0.000 0.334 534 I C -0.125 175.996 176.117 0.007 0.000 1.379 534 I CA -0.561 60.745 61.300 0.009 0.000 1.197 534 I CB -0.202 37.803 38.000 0.008 0.000 1.396 534 I HN 0.150 nan 8.210 nan 0.000 0.511 535 N N -0.118 118.587 118.700 0.008 0.000 2.598 535 N HA 0.317 5.057 4.740 0.000 0.000 0.263 535 N C -0.194 175.316 175.510 -0.001 0.000 1.254 535 N CA -0.784 52.269 53.050 0.005 0.000 0.863 535 N CB 1.432 39.927 38.487 0.012 0.000 1.586 535 N HN -0.169 nan 8.380 nan 0.000 0.491 536 R N 0.821 121.319 120.500 -0.003 0.000 2.224 536 R HA -0.225 4.115 4.340 0.000 0.000 0.251 536 R C 1.466 177.760 176.300 -0.010 0.000 1.123 536 R CA 2.378 58.474 56.100 -0.007 0.000 0.944 536 R CB -0.361 29.936 30.300 -0.005 0.000 0.910 536 R HN 0.589 nan 8.270 nan 0.000 0.440 537 K N 1.035 121.432 120.400 -0.006 0.000 2.281 537 K HA -0.099 4.221 4.320 0.000 0.000 0.203 537 K C 0.349 176.937 176.600 -0.021 0.000 1.046 537 K CA 1.039 57.319 56.287 -0.011 0.000 0.938 537 K CB -0.166 32.330 32.500 -0.008 0.000 0.737 537 K HN 0.477 nan 8.250 nan 0.000 0.458 538 Q N 0.883 120.671 119.800 -0.020 0.000 2.274 538 Q HA 0.254 4.595 4.340 0.000 0.000 0.256 538 Q C -0.656 175.308 176.000 -0.059 0.000 0.927 538 Q CA 0.047 55.828 55.803 -0.036 0.000 0.939 538 Q CB 1.292 30.025 28.738 -0.007 0.000 1.201 538 Q HN -0.053 nan 8.270 nan 0.000 0.426 539 K N 1.388 121.742 120.400 -0.077 0.000 2.375 539 K HA 0.717 5.037 4.320 0.000 0.000 0.249 539 K C -1.367 175.137 176.600 -0.159 0.000 0.942 539 K CA -0.728 55.477 56.287 -0.137 0.000 0.806 539 K CB 2.292 34.745 32.500 -0.078 0.000 1.227 539 K HN 0.260 nan 8.250 nan 0.000 0.430 540 V N 2.925 122.654 119.914 -0.308 0.000 2.888 540 V HA 0.535 4.655 4.120 0.000 0.000 0.309 540 V C -1.405 174.468 176.094 -0.368 0.000 1.114 540 V CA -0.892 61.308 62.300 -0.166 0.000 0.940 540 V CB 1.614 33.417 31.823 -0.032 0.000 1.021 540 V HN 0.599 nan 8.190 nan 0.000 0.426 541 F N 3.531 123.511 119.950 0.049 0.000 2.563 541 F HA 0.544 5.071 4.527 0.000 0.000 0.316 541 F C -1.473 174.378 175.800 0.085 0.000 1.076 541 F CA -1.928 56.105 58.000 0.055 0.000 0.921 541 F CB 2.316 41.337 39.000 0.037 0.000 1.209 541 F HN 0.328 nan 8.300 nan 0.000 0.462 542 P HA -0.149 nan 4.420 nan 0.000 0.228 542 P C 0.518 177.913 177.300 0.158 0.000 1.151 542 P CA 1.346 64.542 63.100 0.160 0.000 0.770 542 P CB -0.140 31.630 31.700 0.117 0.000 0.786 543 N N -0.271 118.541 118.700 0.186 0.000 2.512 543 N HA 0.009 4.749 4.740 0.000 0.000 0.183 543 N C 1.314 176.919 175.510 0.158 0.000 1.073 543 N CA 1.299 54.433 53.050 0.140 0.000 0.911 543 N CB -0.975 37.571 38.487 0.098 0.000 0.964 543 N HN 0.180 nan 8.380 nan 0.000 0.447 544 G N -2.107 106.829 108.800 0.225 0.000 2.144 544 G HA2 -0.225 3.735 3.960 0.000 0.000 0.218 544 G HA3 -0.225 3.735 3.960 0.000 0.000 0.218 544 G C -0.091 175.069 174.900 0.434 0.000 0.988 544 G CA 0.242 45.511 45.100 0.281 0.000 0.659 544 G HN 0.597 nan 8.290 nan 0.000 0.522 545 T N 0.425 115.176 114.554 0.330 0.000 2.794 545 T HA 0.653 5.003 4.350 0.000 0.000 0.280 545 T C -0.100 174.678 174.700 0.131 0.000 0.987 545 T CA -0.308 61.932 62.100 0.232 0.000 0.993 545 T CB 1.178 70.100 68.868 0.090 0.000 0.939 545 T HN 0.992 nan 8.240 nan 0.000 0.449 546 L N 5.920 127.009 121.223 -0.223 0.000 2.344 546 L HA 0.860 5.200 4.340 0.000 0.000 0.272 546 L C -1.077 175.630 176.870 -0.272 0.000 1.035 546 L CA -0.626 53.928 54.840 -0.478 0.000 0.807 546 L CB 1.409 42.668 42.059 -1.333 0.000 1.237 546 L HN 0.733 nan 8.230 nan 0.000 0.442 547 I N 4.824 125.289 120.570 -0.175 0.000 2.611 547 I HA 0.421 4.591 4.170 0.000 0.000 0.287 547 I C -1.581 174.472 176.117 -0.106 0.000 1.184 547 I CA -0.345 60.889 61.300 -0.110 0.000 1.054 547 I CB 1.233 39.241 38.000 0.013 0.000 1.257 547 I HN 0.586 nan 8.210 nan 0.000 0.435 548 I N 6.883 127.369 120.570 -0.139 0.000 2.359 548 I HA 0.277 4.447 4.170 0.000 0.000 0.294 548 I C 0.541 176.619 176.117 -0.065 0.000 0.987 548 I CA -0.291 60.948 61.300 -0.102 0.000 1.225 548 I CB 2.009 39.930 38.000 -0.131 0.000 1.366 548 I HN 0.677 nan 8.210 nan 0.000 0.466 549 E N 3.761 123.939 120.200 -0.037 0.000 2.011 549 E HA -0.022 4.328 4.350 0.000 0.000 0.191 549 E C 0.668 177.254 176.600 -0.024 0.000 0.980 549 E CA 0.894 57.280 56.400 -0.023 0.000 0.814 549 E CB 0.178 29.872 29.700 -0.010 0.000 0.775 549 E HN 0.464 nan 8.360 nan 0.000 0.454 550 N N 0.848 119.536 118.700 -0.019 0.000 2.609 550 N HA 0.139 4.879 4.740 0.000 0.000 0.234 550 N C -1.298 174.202 175.510 -0.017 0.000 1.001 550 N CA -0.240 52.800 53.050 -0.017 0.000 0.926 550 N CB 0.940 39.420 38.487 -0.011 0.000 1.130 550 N HN -0.122 nan 8.380 nan 0.000 0.510 551 V N 3.622 123.522 119.914 -0.023 0.000 2.572 551 V HA 0.078 4.198 4.120 0.000 0.000 0.291 551 V C 0.122 176.210 176.094 -0.010 0.000 1.039 551 V CA 0.263 62.551 62.300 -0.019 0.000 1.055 551 V CB 0.725 32.531 31.823 -0.030 0.000 0.969 551 V HN 0.651 nan 8.190 nan 0.000 0.482 552 E N 3.914 124.115 120.200 0.001 0.000 2.331 552 E HA 0.511 4.861 4.350 0.000 0.000 0.275 552 E C 0.237 176.844 176.600 0.012 0.000 0.895 552 E CA -0.975 55.426 56.400 0.002 0.000 0.753 552 E CB 2.285 31.985 29.700 -0.000 0.000 1.216 552 E HN 0.337 nan 8.360 nan 0.000 0.434 553 R N 2.107 122.611 120.500 0.007 0.000 2.107 553 R HA -0.143 4.198 4.340 0.000 0.000 0.223 553 R C 1.738 178.048 176.300 0.018 0.000 1.138 553 R CA 2.413 58.520 56.100 0.013 0.000 0.900 553 R CB -0.362 29.941 30.300 0.005 0.000 0.814 553 R HN 0.812 nan 8.270 nan 0.000 0.437 554 N N -0.060 118.646 118.700 0.010 0.000 2.430 554 N HA -0.163 4.577 4.740 0.000 0.000 0.186 554 N C 1.665 177.181 175.510 0.010 0.000 1.032 554 N CA 1.133 54.188 53.050 0.008 0.000 0.893 554 N CB -0.155 38.334 38.487 0.002 0.000 0.957 554 N HN 0.166 nan 8.380 nan 0.000 0.442 555 S N 1.805 117.513 115.700 0.015 0.000 2.335 555 S HA -0.107 4.363 4.470 0.000 0.000 0.217 555 S C 1.128 175.751 174.600 0.039 0.000 1.032 555 S CA 1.367 59.578 58.200 0.019 0.000 0.985 555 S CB -0.121 63.089 63.200 0.018 0.000 0.896 555 S HN 0.574 nan 8.310 nan 0.000 0.445 556 D N -0.597 119.843 120.400 0.066 0.000 2.527 556 D HA 0.071 4.711 4.640 0.000 0.000 0.224 556 D C 0.296 176.713 176.300 0.195 0.000 1.217 556 D CA -0.220 53.869 54.000 0.150 0.000 0.819 556 D CB -0.374 40.521 40.800 0.158 0.000 1.061 556 D HN 0.440 nan 8.370 nan 0.000 0.515 557 Q N 1.502 121.367 119.800 0.109 0.000 2.286 557 Q HA 0.410 4.750 4.340 0.000 0.000 0.265 557 Q C -0.707 175.356 176.000 0.105 0.000 1.080 557 Q CA 0.015 55.882 55.803 0.107 0.000 0.906 557 Q CB 0.487 29.258 28.738 0.054 0.000 1.227 557 Q HN 0.343 nan 8.270 nan 0.000 0.409 558 A N 2.791 125.713 122.820 0.171 0.000 2.438 558 A HA 0.494 4.814 4.320 0.000 0.000 0.301 558 A C -1.074 176.606 177.584 0.159 0.000 1.101 558 A CA -0.482 51.600 52.037 0.076 0.000 0.621 558 A CB 0.940 19.869 19.000 -0.119 0.000 1.350 558 A HN 0.649 nan 8.150 nan 0.000 0.496 559 T N -0.441 114.149 114.554 0.060 0.000 2.781 559 T HA 0.632 4.982 4.350 0.000 0.000 0.305 559 T C -0.707 174.057 174.700 0.107 0.000 1.001 559 T CA -0.121 62.056 62.100 0.127 0.000 0.950 559 T CB -0.314 68.593 68.868 0.066 0.000 0.955 559 T HN 0.380 nan 8.240 nan 0.000 0.471 560 Y N 2.278 122.654 120.300 0.126 0.000 2.298 560 Y HA 0.542 5.092 4.550 0.000 0.000 0.329 560 Y C 1.452 177.481 175.900 0.214 0.000 1.293 560 Y CA -0.675 57.552 58.100 0.213 0.000 1.388 560 Y CB 1.165 39.812 38.460 0.311 0.000 1.309 560 Y HN 0.809 nan 8.280 nan 0.000 0.544 561 T N -1.269 113.482 114.554 0.330 0.000 2.893 561 T HA 0.605 4.955 4.350 0.000 0.000 0.293 561 T C -0.989 173.600 174.700 -0.184 0.000 1.027 561 T CA -1.062 61.073 62.100 0.058 0.000 0.988 561 T CB 0.686 69.555 68.868 0.001 0.000 1.043 561 T HN 0.874 nan 8.240 nan 0.000 0.461 562 c N 1.048 119.301 118.600 -0.578 0.000 2.408 562 c HA 0.885 5.455 4.570 0.000 0.000 0.321 562 c C -0.365 173.451 174.090 -0.457 0.000 1.245 562 c CA -0.784 55.014 56.329 -0.885 0.000 1.523 562 c CB 0.214 41.659 42.510 -1.776 0.000 2.178 562 c HN 0.842 nan 8.230 nan 0.000 0.488 563 V N 3.587 123.311 119.914 -0.316 0.000 2.435 563 V HA 0.791 4.911 4.120 0.000 0.000 0.290 563 V C 0.530 176.529 176.094 -0.158 0.000 1.030 563 V CA 0.054 62.244 62.300 -0.184 0.000 0.881 563 V CB 1.553 33.311 31.823 -0.109 0.000 0.983 563 V HN 1.299 nan 8.190 nan 0.000 0.445 564 A N 5.768 128.516 122.820 -0.120 0.000 2.319 564 A HA 0.869 5.189 4.320 0.000 0.000 0.310 564 A C -0.514 177.048 177.584 -0.037 0.000 1.152 564 A CA -0.753 51.238 52.037 -0.076 0.000 0.783 564 A CB 1.005 19.962 19.000 -0.072 0.000 1.184 564 A HN 0.903 nan 8.150 nan 0.000 0.474 565 K N 1.719 122.105 120.400 -0.023 0.000 2.464 565 K HA 0.574 4.894 4.320 0.000 0.000 0.253 565 K C -0.688 175.910 176.600 -0.004 0.000 0.933 565 K CA -0.906 55.380 56.287 -0.001 0.000 0.801 565 K CB 1.648 34.144 32.500 -0.007 0.000 1.271 565 K HN 0.604 nan 8.250 nan 0.000 0.430 566 N N 1.366 120.076 118.700 0.018 0.000 2.413 566 N HA 0.047 4.787 4.740 0.000 0.000 0.266 566 N C -0.574 174.934 175.510 -0.004 0.000 1.238 566 N CA -0.504 52.543 53.050 -0.006 0.000 0.972 566 N CB 0.461 38.948 38.487 0.001 0.000 1.210 566 N HN 0.708 nan 8.380 nan 0.000 0.547 567 Q N -0.384 119.401 119.800 -0.025 0.000 2.369 567 Q HA -0.057 4.283 4.340 0.000 0.000 0.295 567 Q C -0.363 175.634 176.000 -0.004 0.000 1.075 567 Q CA 0.816 56.607 55.803 -0.021 0.000 0.941 567 Q CB 0.076 28.795 28.738 -0.031 0.000 1.260 567 Q HN 0.835 nan 8.270 nan 0.000 0.417 568 E N 0.463 120.647 120.200 -0.026 0.000 2.560 568 E HA -0.314 4.037 4.350 0.000 0.000 0.158 568 E C 0.444 176.970 176.600 -0.123 0.000 1.709 568 E CA 0.235 56.602 56.400 -0.055 0.000 0.653 568 E CB -2.109 27.572 29.700 -0.031 0.000 1.090 568 E HN 0.999 nan 8.360 nan 0.000 0.355 569 G N 1.334 110.051 108.800 -0.139 0.000 4.890 569 G HA2 -0.406 3.554 3.960 0.000 0.000 0.221 569 G HA3 -0.406 3.554 3.960 0.000 0.000 0.221 569 G C 0.065 174.855 174.900 -0.184 0.000 1.472 569 G CA -0.011 44.944 45.100 -0.241 0.000 0.962 569 G HN 0.551 nan 8.290 nan 0.000 0.671 570 Y N 3.051 123.341 120.300 -0.017 0.000 2.811 570 Y HA 0.391 4.941 4.550 0.000 0.000 0.334 570 Y C 1.237 177.126 175.900 -0.018 0.000 1.247 570 Y CA 0.669 58.761 58.100 -0.013 0.000 1.526 570 Y CB 0.777 39.232 38.460 -0.008 0.000 1.284 570 Y HN 0.875 nan 8.280 nan 0.000 0.586 571 S N 0.980 116.764 115.700 0.141 0.000 2.651 571 S HA 0.978 5.448 4.470 0.000 0.000 0.279 571 S C -1.130 173.498 174.600 0.046 0.000 1.148 571 S CA -0.558 57.677 58.200 0.058 0.000 0.837 571 S CB 2.123 65.331 63.200 0.012 0.000 1.138 571 S HN 1.038 nan 8.310 nan 0.000 0.478 572 A N 1.015 123.833 122.820 -0.003 0.000 2.549 572 A HA 0.845 5.165 4.320 0.000 0.000 0.297 572 A C -0.949 176.582 177.584 -0.088 0.000 1.061 572 A CA -0.892 51.122 52.037 -0.037 0.000 0.690 572 A CB 1.506 20.481 19.000 -0.042 0.000 1.287 572 A HN 0.770 nan 8.150 nan 0.000 0.402 573 R N 0.394 120.830 120.500 -0.105 0.000 2.562 573 R HA 0.649 4.989 4.340 0.000 0.000 0.298 573 R C -0.231 175.974 176.300 -0.157 0.000 0.961 573 R CA -0.460 55.566 56.100 -0.124 0.000 0.881 573 R CB 2.415 32.664 30.300 -0.084 0.000 1.159 573 R HN 0.940 nan 8.270 nan 0.000 0.450 574 G N 0.335 109.023 108.800 -0.187 0.000 2.566 574 G HA2 0.409 4.369 3.960 0.000 0.000 0.311 574 G HA3 0.409 4.369 3.960 0.000 0.000 0.311 574 G C -1.026 173.796 174.900 -0.130 0.000 1.322 574 G CA -0.333 44.660 45.100 -0.178 0.000 0.969 574 G HN 0.416 nan 8.290 nan 0.000 0.490 575 S N 0.840 116.506 115.700 -0.057 0.000 2.566 575 S HA 0.419 4.889 4.470 0.000 0.000 0.324 575 S C -0.614 174.028 174.600 0.071 0.000 1.081 575 S CA -0.502 57.707 58.200 0.015 0.000 1.105 575 S CB 1.335 64.541 63.200 0.011 0.000 0.981 575 S HN 0.627 nan 8.310 nan 0.000 0.464 576 L N 3.117 124.442 121.223 0.169 0.000 2.307 576 L HA 0.535 4.875 4.340 0.000 0.000 0.282 576 L C 0.018 177.010 176.870 0.203 0.000 1.051 576 L CA -0.106 54.857 54.840 0.205 0.000 0.804 576 L CB 1.112 43.371 42.059 0.334 0.000 1.197 576 L HN 0.682 nan 8.230 nan 0.000 0.431 577 E N 3.992 124.274 120.200 0.137 0.000 2.173 577 E HA 0.335 4.685 4.350 0.000 0.000 0.249 577 E C -1.443 175.221 176.600 0.107 0.000 0.923 577 E CA -0.564 55.911 56.400 0.125 0.000 0.754 577 E CB 0.821 30.567 29.700 0.077 0.000 1.177 577 E HN 0.563 nan 8.360 nan 0.000 0.430 578 V N 4.883 124.888 119.914 0.152 0.000 2.405 578 V HA 0.094 4.214 4.120 0.000 0.000 0.264 578 V C 0.238 176.381 176.094 0.082 0.000 1.048 578 V CA -0.128 62.213 62.300 0.070 0.000 0.966 578 V CB 0.905 32.715 31.823 -0.022 0.000 1.015 578 V HN 0.651 nan 8.190 nan 0.000 0.477 579 Q N 4.043 123.867 119.800 0.040 0.000 2.256 579 Q HA 0.549 4.889 4.340 0.000 0.000 0.257 579 Q C -1.323 174.687 176.000 0.017 0.000 0.936 579 Q CA -0.593 55.230 55.803 0.033 0.000 0.903 579 Q CB 2.048 30.800 28.738 0.023 0.000 1.263 579 Q HN 0.569 nan 8.270 nan 0.000 0.440 580 V N 5.854 125.779 119.914 0.018 0.000 2.294 580 V HA 0.261 4.381 4.120 0.000 0.000 0.272 580 V C 0.253 176.347 176.094 -0.000 0.000 1.027 580 V CA -0.334 61.969 62.300 0.005 0.000 0.823 580 V CB 0.968 32.796 31.823 0.009 0.000 1.030 580 V HN 0.941 nan 8.190 nan 0.000 0.457 581 M N 3.885 123.481 119.600 -0.007 0.000 2.240 581 M HA 0.354 4.834 4.480 0.000 0.000 0.333 581 M C -0.374 175.916 176.300 -0.017 0.000 1.110 581 M CA 0.137 55.431 55.300 -0.011 0.000 1.173 581 M CB 1.567 34.160 32.600 -0.013 0.000 1.458 581 M HN 0.454 nan 8.290 nan 0.000 0.458 582 V N 5.305 125.207 119.914 -0.020 0.000 2.444 582 V HA 0.413 4.533 4.120 0.000 0.000 0.294 582 V C -0.930 175.142 176.094 -0.036 0.000 1.022 582 V CA -0.774 61.511 62.300 -0.026 0.000 0.850 582 V CB 1.691 33.501 31.823 -0.022 0.000 0.992 582 V HN 0.737 nan 8.190 nan 0.000 0.426 583 L N 9.956 131.152 121.223 -0.045 0.000 2.367 583 L HA 0.515 4.855 4.340 0.000 0.000 0.275 583 L C -1.783 175.051 176.870 -0.061 0.000 1.129 583 L CA -1.298 53.505 54.840 -0.061 0.000 0.839 583 L CB 1.461 43.475 42.059 -0.075 0.000 1.133 583 L HN 0.540 nan 8.230 nan 0.000 0.453 584 P HA 0.016 nan 4.420 nan 0.000 0.268 584 P C -1.306 175.952 177.300 -0.071 0.000 1.204 584 P CA -0.152 62.910 63.100 -0.064 0.000 0.768 584 P CB 0.559 32.218 31.700 -0.069 0.000 0.842 585 R N 4.090 124.549 120.500 -0.067 0.000 2.239 585 R HA 0.417 4.757 4.340 0.000 0.000 0.332 585 R C -0.226 176.019 176.300 -0.091 0.000 0.988 585 R CA -0.819 55.234 56.100 -0.078 0.000 0.859 585 R CB 0.098 30.356 30.300 -0.070 0.000 1.148 585 R HN 0.532 nan 8.270 nan 0.000 0.482 586 I N 5.079 125.583 120.570 -0.110 0.000 2.441 586 I HA 0.144 4.314 4.170 0.000 0.000 0.287 586 I C -0.424 175.567 176.117 -0.210 0.000 1.049 586 I CA -0.603 60.621 61.300 -0.127 0.000 1.381 586 I CB 0.696 38.632 38.000 -0.107 0.000 1.409 586 I HN 0.613 nan 8.210 nan 0.000 0.523 587 I N 10.418 130.884 120.570 -0.173 0.000 2.396 587 I HA 0.434 4.604 4.170 0.000 0.000 0.292 587 I C -2.081 173.826 176.117 -0.349 0.000 0.999 587 I CA -2.429 58.742 61.300 -0.216 0.000 1.310 587 I CB 0.862 38.803 38.000 -0.098 0.000 1.404 587 I HN 0.466 nan 8.210 nan 0.000 0.496 588 P HA 0.138 nan 4.420 nan 0.000 0.271 588 P C -1.143 176.053 177.300 -0.173 0.000 1.238 588 P CA 0.198 62.773 63.100 -0.875 0.000 0.794 588 P CB 0.304 31.580 31.700 -0.706 0.000 0.959 589 F N -0.722 119.315 119.950 0.145 0.000 2.585 589 F HA 0.753 5.280 4.527 0.000 0.000 0.350 589 F C 0.185 176.039 175.800 0.091 0.000 1.074 589 F CA -1.693 56.380 58.000 0.122 0.000 1.032 589 F CB 0.118 39.191 39.000 0.122 0.000 1.330 589 F HN 0.214 nan 8.300 nan 0.000 0.495 590 A N 0.965 123.923 122.820 0.230 0.000 2.550 590 A HA 0.569 4.889 4.320 0.000 0.000 0.282 590 A C -1.487 176.144 177.584 0.078 0.000 1.071 590 A CA -0.472 51.653 52.037 0.146 0.000 0.838 590 A CB -0.275 18.805 19.000 0.133 0.000 1.361 590 A HN 0.390 nan 8.150 nan 0.000 0.408 591 F N 1.686 121.700 119.950 0.107 0.000 2.490 591 F HA 0.265 4.792 4.527 0.000 0.000 0.336 591 F C 1.497 177.309 175.800 0.021 0.000 1.178 591 F CA 0.210 58.225 58.000 0.025 0.000 1.301 591 F CB 0.850 39.842 39.000 -0.014 0.000 1.175 591 F HN 0.704 nan 8.300 nan 0.000 0.593 592 E N 1.585 121.938 120.200 0.256 0.000 2.415 592 E HA 0.010 4.360 4.350 0.000 0.000 0.260 592 E C -0.656 176.002 176.600 0.096 0.000 1.016 592 E CA -0.333 56.144 56.400 0.129 0.000 0.924 592 E CB -0.167 29.583 29.700 0.083 0.000 0.961 592 E HN 0.663 nan 8.360 nan 0.000 0.459 593 E N 3.480 123.730 120.200 0.083 0.000 1.775 593 E HA 0.117 4.467 4.350 0.000 0.000 0.266 593 E C 0.411 177.032 176.600 0.034 0.000 1.191 593 E CA -0.221 56.217 56.400 0.063 0.000 1.048 593 E CB 0.549 30.288 29.700 0.064 0.000 1.081 593 E HN 0.736 nan 8.360 nan 0.000 0.434 594 G N 3.915 112.723 108.800 0.015 0.000 2.688 594 G HA2 0.085 4.045 3.960 0.000 0.000 0.214 594 G HA3 0.085 4.045 3.960 0.000 0.000 0.214 594 G C -1.042 173.855 174.900 -0.006 0.000 1.211 594 G CA -0.053 45.047 45.100 -0.001 0.000 0.853 594 G HN 0.406 nan 8.290 nan 0.000 0.591 595 P HA 0.520 nan 4.420 nan 0.000 0.286 595 P C -0.316 176.942 177.300 -0.071 0.000 1.293 595 P CA -0.450 62.623 63.100 -0.046 0.000 0.770 595 P CB 0.274 31.943 31.700 -0.052 0.000 1.206 596 A N 0.174 122.918 122.820 -0.127 0.000 2.450 596 A HA 0.172 4.492 4.320 0.000 0.000 0.255 596 A C 0.160 177.681 177.584 -0.106 0.000 1.096 596 A CA -0.072 51.881 52.037 -0.140 0.000 0.778 596 A CB -0.499 18.357 19.000 -0.241 0.000 1.031 596 A HN 0.532 nan 8.150 nan 0.000 0.494 597 Q N 2.310 122.062 119.800 -0.079 0.000 2.230 597 Q HA 0.458 4.798 4.340 0.000 0.000 0.253 597 Q C -0.284 175.676 176.000 -0.067 0.000 0.919 597 Q CA -0.684 55.083 55.803 -0.060 0.000 0.908 597 Q CB 1.611 30.325 28.738 -0.041 0.000 1.245 597 Q HN 0.733 nan 8.270 nan 0.000 0.437 598 V N 4.149 124.028 119.914 -0.059 0.000 2.681 598 V HA 0.197 4.317 4.120 0.000 0.000 0.306 598 V C 0.496 176.556 176.094 -0.057 0.000 1.077 598 V CA 2.026 64.290 62.300 -0.061 0.000 1.224 598 V CB -0.320 31.478 31.823 -0.042 0.000 0.879 598 V HN 1.046 nan 8.190 nan 0.000 0.494 599 G N 4.642 113.399 108.800 -0.071 0.000 2.643 599 G HA2 -0.136 3.824 3.960 0.000 0.000 0.280 599 G HA3 -0.136 3.824 3.960 0.000 0.000 0.280 599 G C -0.444 174.429 174.900 -0.045 0.000 1.120 599 G CA 0.256 45.323 45.100 -0.056 0.000 1.165 599 G HN 0.973 nan 8.290 nan 0.000 0.540 600 Q N -1.372 118.393 119.800 -0.059 0.000 2.587 600 Q HA 0.638 4.978 4.340 0.000 0.000 0.293 600 Q C -1.313 174.702 176.000 0.025 0.000 1.083 600 Q CA -0.998 54.789 55.803 -0.027 0.000 0.792 600 Q CB 2.179 30.873 28.738 -0.073 0.000 1.484 600 Q HN 0.603 nan 8.270 nan 0.000 0.446 601 Y N 1.222 121.473 120.300 -0.082 0.000 2.447 601 Y HA 0.476 5.026 4.550 0.000 0.000 0.325 601 Y C -1.539 174.329 175.900 -0.053 0.000 0.976 601 Y CA -0.395 57.665 58.100 -0.067 0.000 1.280 601 Y CB 0.400 38.833 38.460 -0.045 0.000 1.104 601 Y HN 0.402 nan 8.280 nan 0.000 0.486 602 L N 5.414 126.372 121.223 -0.442 0.000 2.322 602 L HA 0.565 4.905 4.340 0.000 0.000 0.281 602 L C -0.133 176.502 176.870 -0.392 0.000 1.014 602 L CA -0.781 53.871 54.840 -0.314 0.000 0.815 602 L CB 2.129 44.036 42.059 -0.252 0.000 1.247 602 L HN 0.564 nan 8.230 nan 0.000 0.421 603 T N 4.018 118.432 114.554 -0.234 0.000 2.847 603 T HA 0.575 4.926 4.350 0.000 0.000 0.291 603 T C -1.139 173.476 174.700 -0.141 0.000 0.998 603 T CA -0.353 61.610 62.100 -0.229 0.000 0.967 603 T CB 0.743 69.484 68.868 -0.212 0.000 0.954 603 T HN 0.281 nan 8.240 nan 0.000 0.441 604 L N 5.061 126.141 121.223 -0.239 0.000 2.329 604 L HA 0.666 5.006 4.340 0.000 0.000 0.279 604 L C -0.950 175.792 176.870 -0.213 0.000 1.014 604 L CA -0.556 54.048 54.840 -0.394 0.000 0.814 604 L CB 1.727 43.380 42.059 -0.677 0.000 1.257 604 L HN 0.790 nan 8.230 nan 0.000 0.424 605 H N 3.720 122.615 119.070 -0.292 0.000 2.800 605 H HA 0.359 4.915 4.556 0.000 0.000 0.322 605 H C -1.251 174.010 175.328 -0.112 0.000 0.979 605 H CA -0.615 55.367 56.048 -0.110 0.000 1.277 605 H CB 1.154 30.898 29.762 -0.029 0.000 1.484 605 H HN 0.676 nan 8.280 nan 0.000 0.512 606 c N 5.393 123.859 118.600 -0.223 0.000 2.223 606 c HA 0.642 5.213 4.570 0.000 0.000 0.324 606 c C -0.349 173.592 174.090 -0.248 0.000 1.196 606 c CA -0.143 56.100 56.329 -0.143 0.000 1.628 606 c CB -1.543 40.869 42.510 -0.164 0.000 2.229 606 c HN 0.835 nan 8.230 nan 0.000 0.486 607 S N 3.278 118.827 115.700 -0.252 0.000 2.472 607 S HA 0.800 5.271 4.470 0.000 0.000 0.303 607 S C -0.885 173.669 174.600 -0.076 0.000 1.099 607 S CA -0.462 57.619 58.200 -0.198 0.000 1.077 607 S CB 1.596 64.669 63.200 -0.212 0.000 1.031 607 S HN 0.644 nan 8.310 nan 0.000 0.487 608 V N 5.421 125.301 119.914 -0.056 0.000 2.624 608 V HA 0.392 4.512 4.120 0.000 0.000 0.294 608 V C -2.404 173.668 176.094 -0.037 0.000 1.077 608 V CA -1.337 60.932 62.300 -0.052 0.000 0.905 608 V CB 1.711 33.498 31.823 -0.059 0.000 1.025 608 V HN 0.708 nan 8.190 nan 0.000 0.440 609 P HA 0.863 nan 4.420 nan 0.000 0.286 609 P C 0.114 177.394 177.300 -0.033 0.000 1.261 609 P CA 0.082 63.166 63.100 -0.026 0.000 0.821 609 P CB 2.488 34.175 31.700 -0.021 0.000 1.013 610 G N 0.273 109.056 108.800 -0.028 0.000 2.591 610 G HA2 0.353 4.313 3.960 0.000 0.000 0.104 610 G HA3 0.353 4.313 3.960 0.000 0.000 0.104 610 G C -0.359 174.526 174.900 -0.024 0.000 1.097 610 G CA -0.099 44.983 45.100 -0.031 0.000 1.076 610 G HN 0.574 nan 8.290 nan 0.000 0.485 611 G N 1.580 110.363 108.800 -0.027 0.000 2.272 611 G HA2 0.395 4.355 3.960 0.000 0.000 0.274 611 G HA3 0.395 4.355 3.960 0.000 0.000 0.274 611 G C 0.043 174.934 174.900 -0.015 0.000 1.136 611 G CA 0.524 45.611 45.100 -0.021 0.000 1.098 611 G HN 0.480 nan 8.290 nan 0.000 0.425 612 D N 1.670 122.064 120.400 -0.010 0.000 2.405 612 D HA -0.039 4.601 4.640 0.000 0.000 0.232 612 D C 1.662 177.959 176.300 -0.005 0.000 1.240 612 D CA 0.044 54.040 54.000 -0.006 0.000 0.881 612 D CB 0.736 41.535 40.800 -0.002 0.000 1.222 612 D HN 0.172 nan 8.370 nan 0.000 0.482 613 L N -1.535 119.687 121.223 -0.002 0.000 4.467 613 L HA -0.237 4.103 4.340 0.000 0.000 0.053 613 L C -1.923 174.946 176.870 -0.002 0.000 3.826 613 L CA 1.532 56.372 54.840 0.000 0.000 1.082 613 L CB -3.090 38.969 42.059 0.001 0.000 3.280 613 L HN 0.513 nan 8.230 nan 0.000 0.950 614 P HA 0.377 nan 4.420 nan 0.000 0.271 614 P C -0.793 176.500 177.300 -0.012 0.000 1.226 614 P CA 0.404 63.501 63.100 -0.005 0.000 0.765 614 P CB 0.629 32.326 31.700 -0.004 0.000 0.835 615 L N 3.565 124.780 121.223 -0.013 0.000 2.518 615 L HA 0.326 4.666 4.340 0.000 0.000 0.262 615 L C 0.152 177.007 176.870 -0.026 0.000 0.982 615 L CA -0.238 54.588 54.840 -0.024 0.000 0.873 615 L CB 1.547 43.594 42.059 -0.021 0.000 1.198 615 L HN 0.385 nan 8.230 nan 0.000 0.427 616 N N 5.301 123.978 118.700 -0.038 0.000 2.500 616 N HA 0.434 5.174 4.740 0.000 0.000 0.236 616 N C -1.016 174.449 175.510 -0.074 0.000 1.022 616 N CA -0.407 52.619 53.050 -0.039 0.000 0.935 616 N CB 0.811 39.281 38.487 -0.029 0.000 1.147 616 N HN 0.491 nan 8.380 nan 0.000 0.512 617 I N 2.689 123.218 120.570 -0.068 0.000 2.339 617 I HA 0.290 4.460 4.170 0.000 0.000 0.290 617 I C -0.416 175.634 176.117 -0.113 0.000 0.994 617 I CA -0.653 60.570 61.300 -0.129 0.000 1.191 617 I CB 1.346 39.269 38.000 -0.128 0.000 1.343 617 I HN 0.303 nan 8.210 nan 0.000 0.458 618 D N 4.568 124.874 120.400 -0.156 0.000 2.477 618 D HA 0.420 5.060 4.640 0.000 0.000 0.234 618 D C -1.335 174.850 176.300 -0.193 0.000 1.048 618 D CA -0.282 53.680 54.000 -0.062 0.000 0.959 618 D CB 2.263 43.093 40.800 0.051 0.000 1.408 618 D HN 0.265 nan 8.370 nan 0.000 0.496 619 W N 0.355 121.693 121.300 0.062 0.000 2.666 619 W HA 0.427 5.087 4.660 0.000 0.000 0.334 619 W C -0.014 176.499 176.519 -0.010 0.000 1.051 619 W CA -0.505 56.869 57.345 0.048 0.000 1.224 619 W CB 1.847 31.331 29.460 0.041 0.000 1.405 619 W HN 0.119 nan 8.180 nan 0.000 0.513 620 T N 1.112 115.791 114.554 0.208 0.000 2.921 620 T HA 0.649 4.999 4.350 0.000 0.000 0.297 620 T C -1.373 173.263 174.700 -0.107 0.000 1.013 620 T CA -0.789 61.325 62.100 0.024 0.000 0.990 620 T CB 1.235 70.097 68.868 -0.012 0.000 1.023 620 T HN 0.486 nan 8.240 nan 0.000 0.447 621 L N 2.430 123.516 121.223 -0.229 0.000 2.317 621 L HA 0.505 4.845 4.340 0.000 0.000 0.281 621 L C -0.168 176.600 176.870 -0.170 0.000 1.024 621 L CA -0.732 53.895 54.840 -0.355 0.000 0.810 621 L CB 1.246 42.999 42.059 -0.510 0.000 1.240 621 L HN 0.852 nan 8.230 nan 0.000 0.427 622 D N 3.835 124.168 120.400 -0.111 0.000 3.941 622 D HA 0.074 4.714 4.640 0.000 0.000 0.225 622 D C 0.961 177.223 176.300 -0.063 0.000 1.298 622 D CA 2.002 55.966 54.000 -0.060 0.000 0.835 622 D CB 0.093 40.878 40.800 -0.025 0.000 1.205 622 D HN 0.852 nan 8.370 nan 0.000 0.644 623 G N 2.305 111.067 108.800 -0.064 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 0.323 175.186 174.900 -0.061 0.000 1.023 623 G CA 0.401 45.467 45.100 -0.057 0.000 0.626 623 G HN 0.739 nan 8.290 nan 0.000 0.503 624 Q N -0.682 119.075 119.800 -0.071 0.000 2.893 624 Q HA 0.833 5.173 4.340 0.000 0.000 0.331 624 Q C -1.271 174.689 176.000 -0.067 0.000 0.893 624 Q CA 0.290 56.056 55.803 -0.063 0.000 0.783 624 Q CB 1.659 30.363 28.738 -0.056 0.000 1.440 624 Q HN 1.398 nan 8.270 nan 0.000 0.508 625 A N 1.249 124.042 122.820 -0.045 0.000 2.375 625 A HA 0.593 4.913 4.320 0.000 0.000 0.291 625 A C -0.796 176.778 177.584 -0.016 0.000 1.160 625 A CA -0.752 51.272 52.037 -0.022 0.000 0.747 625 A CB 0.128 19.136 19.000 0.012 0.000 1.170 625 A HN 0.924 nan 8.150 nan 0.000 0.458 626 I N 2.040 122.590 120.570 -0.034 0.000 2.750 626 I HA -0.214 3.957 4.170 0.000 0.000 0.126 626 I C 0.038 176.148 176.117 -0.011 0.000 0.884 626 I CA 0.995 62.280 61.300 -0.026 0.000 2.785 626 I CB 0.215 38.223 38.000 0.014 0.000 0.570 626 I HN 0.626 nan 8.210 nan 0.000 0.352 627 S N 5.502 121.187 115.700 -0.025 0.000 2.422 627 S HA 0.280 4.750 4.470 0.000 0.000 0.298 627 S C 0.997 175.592 174.600 -0.007 0.000 1.118 627 S CA -0.367 57.826 58.200 -0.012 0.000 1.083 627 S CB 1.331 64.521 63.200 -0.017 0.000 0.971 627 S HN 0.767 nan 8.310 nan 0.000 0.478 628 E N 3.130 123.334 120.200 0.008 0.000 2.147 628 E HA -0.210 4.140 4.350 0.000 0.000 0.199 628 E C 0.966 177.577 176.600 0.018 0.000 1.005 628 E CA 1.783 58.193 56.400 0.016 0.000 0.810 628 E CB -0.008 29.706 29.700 0.023 0.000 0.736 628 E HN 0.667 nan 8.360 nan 0.000 0.460 629 D N 0.387 120.795 120.400 0.013 0.000 2.191 629 D HA -0.208 4.432 4.640 0.000 0.000 0.195 629 D C 1.729 178.042 176.300 0.021 0.000 1.003 629 D CA 0.728 54.738 54.000 0.016 0.000 0.867 629 D CB -0.272 40.534 40.800 0.009 0.000 0.926 629 D HN 0.083 nan 8.370 nan 0.000 0.450 630 L N -0.179 121.047 121.223 0.005 0.000 2.127 630 L HA 0.012 4.352 4.340 0.000 0.000 0.211 630 L C 1.142 178.052 176.870 0.065 0.000 1.089 630 L CA 1.849 56.687 54.840 -0.004 0.000 0.757 630 L CB -0.388 41.619 42.059 -0.087 0.000 0.899 630 L HN 0.260 nan 8.230 nan 0.000 0.434 631 G N -0.036 108.812 108.800 0.080 0.000 2.842 631 G HA2 -0.150 3.810 3.960 0.000 0.000 0.242 631 G HA3 -0.150 3.810 3.960 0.000 0.000 0.242 631 G C -0.357 174.672 174.900 0.216 0.000 1.135 631 G CA -0.035 45.150 45.100 0.141 0.000 1.048 631 G HN 0.252 nan 8.290 nan 0.000 0.530 632 I N 0.875 121.514 120.570 0.115 0.000 2.534 632 I HA 0.306 4.476 4.170 0.000 0.000 0.286 632 I C -0.035 176.102 176.117 0.033 0.000 1.094 632 I CA -0.750 60.608 61.300 0.097 0.000 1.055 632 I CB 2.339 40.385 38.000 0.077 0.000 1.225 632 I HN 0.114 nan 8.210 nan 0.000 0.435 633 T N 3.232 117.793 114.554 0.011 0.000 2.762 633 T HA 0.154 4.504 4.350 0.000 0.000 0.303 633 T C 0.163 174.840 174.700 -0.039 0.000 0.977 633 T CA -0.121 61.980 62.100 0.002 0.000 0.961 633 T CB 0.698 69.578 68.868 0.020 0.000 0.944 633 T HN 0.542 nan 8.240 nan 0.000 0.481 634 T N 2.855 117.399 114.554 -0.017 0.000 2.733 634 T HA 0.489 4.840 4.350 0.000 0.000 0.294 634 T C -0.060 174.679 174.700 0.065 0.000 0.956 634 T CA -0.393 61.702 62.100 -0.008 0.000 0.987 634 T CB 0.435 69.346 68.868 0.072 0.000 0.920 634 T HN 0.537 nan 8.240 nan 0.000 0.470 635 S N 4.218 119.965 115.700 0.079 0.000 2.600 635 S HA 0.724 5.194 4.470 0.000 0.000 0.300 635 S C -0.327 174.360 174.600 0.146 0.000 1.087 635 S CA -0.936 57.322 58.200 0.097 0.000 0.965 635 S CB 1.150 64.390 63.200 0.068 0.000 1.089 635 S HN 0.803 nan 8.310 nan 0.000 0.496 636 R N 0.818 121.390 120.500 0.120 0.000 2.691 636 R HA 0.749 5.089 4.340 0.000 0.000 0.259 636 R C -1.144 175.221 176.300 0.107 0.000 1.048 636 R CA -0.907 55.266 56.100 0.123 0.000 1.086 636 R CB 1.390 31.746 30.300 0.093 0.000 1.166 636 R HN 0.457 nan 8.270 nan 0.000 0.526 637 V N 0.724 120.704 119.914 0.111 0.000 2.680 637 V HA 0.238 4.358 4.120 0.000 0.000 0.309 637 V C 1.405 177.543 176.094 0.073 0.000 1.052 637 V CA -0.302 62.058 62.300 0.099 0.000 0.908 637 V CB 1.534 33.444 31.823 0.145 0.000 1.001 637 V HN 1.071 nan 8.190 nan 0.000 0.431 638 G N 3.178 112.012 108.800 0.057 0.000 2.863 638 G HA2 -0.348 3.612 3.960 0.000 0.000 0.248 638 G HA3 -0.348 3.612 3.960 0.000 0.000 0.248 638 G C 1.005 175.929 174.900 0.040 0.000 1.155 638 G CA 1.447 46.573 45.100 0.043 0.000 0.752 638 G HN 0.622 nan 8.290 nan 0.000 0.666 639 R N 0.874 121.398 120.500 0.040 0.000 4.680 639 R HA 0.211 4.551 4.340 0.000 0.000 0.222 639 R C 0.374 176.693 176.300 0.030 0.000 1.803 639 R CA -0.337 55.782 56.100 0.031 0.000 1.560 639 R CB -0.628 29.689 30.300 0.029 0.000 1.412 639 R HN 0.296 nan 8.270 nan 0.000 0.815 640 R N -1.086 119.433 120.500 0.032 0.000 3.225 640 R HA -0.183 4.157 4.340 0.000 0.000 0.245 640 R C 0.161 176.479 176.300 0.030 0.000 0.928 640 R CA 1.062 57.179 56.100 0.028 0.000 0.632 640 R CB -2.545 27.761 30.300 0.011 0.000 1.038 640 R HN 0.601 nan 8.270 nan 0.000 0.461 641 G N -0.921 107.914 108.800 0.059 0.000 2.557 641 G HA2 0.589 4.549 3.960 0.000 0.000 0.302 641 G HA3 0.589 4.549 3.960 0.000 0.000 0.302 641 G C -0.783 174.184 174.900 0.111 0.000 1.311 641 G CA 0.141 45.287 45.100 0.076 0.000 1.030 641 G HN 0.245 nan 8.290 nan 0.000 0.509 642 S N -1.712 114.078 115.700 0.150 0.000 2.536 642 S HA 0.569 5.039 4.470 0.000 0.000 0.271 642 S C -1.090 173.733 174.600 0.373 0.000 1.134 642 S CA -0.445 57.907 58.200 0.254 0.000 0.897 642 S CB 1.509 64.868 63.200 0.263 0.000 1.094 642 S HN 1.545 nan 8.310 nan 0.000 0.473 643 V N 2.783 122.885 119.914 0.312 0.000 2.447 643 V HA 0.715 4.835 4.120 0.000 0.000 0.292 643 V C -0.903 175.193 176.094 0.003 0.000 1.021 643 V CA -0.920 61.495 62.300 0.192 0.000 0.850 643 V CB 1.110 32.998 31.823 0.107 0.000 1.005 643 V HN 0.766 nan 8.190 nan 0.000 0.426 644 L N 5.916 126.988 121.223 -0.251 0.000 2.261 644 L HA 0.747 5.087 4.340 0.000 0.000 0.289 644 L C 0.555 177.229 176.870 -0.327 0.000 1.059 644 L CA 0.584 55.101 54.840 -0.537 0.000 0.816 644 L CB 0.984 42.276 42.059 -1.279 0.000 1.191 644 L HN 0.984 nan 8.230 nan 0.000 0.431 645 T N 3.453 117.879 114.554 -0.214 0.000 2.794 645 T HA 0.650 5.000 4.350 0.000 0.000 0.280 645 T C 0.057 174.659 174.700 -0.163 0.000 0.987 645 T CA -0.434 61.543 62.100 -0.206 0.000 0.993 645 T CB 1.124 69.932 68.868 -0.100 0.000 0.939 645 T HN 0.472 nan 8.240 nan 0.000 0.449 646 I N 3.232 123.665 120.570 -0.229 0.000 2.537 646 I HA 0.228 4.398 4.170 0.000 0.000 0.276 646 I C 0.396 176.415 176.117 -0.163 0.000 1.063 646 I CA -0.769 60.454 61.300 -0.129 0.000 1.144 646 I CB 1.032 38.979 38.000 -0.088 0.000 1.252 646 I HN 0.805 nan 8.210 nan 0.000 0.480 647 E N 5.865 126.064 120.200 -0.001 0.000 2.343 647 E HA 0.609 4.959 4.350 0.000 0.000 0.269 647 E C 0.343 176.946 176.600 0.006 0.000 1.047 647 E CA -0.521 55.970 56.400 0.152 0.000 0.874 647 E CB 1.430 31.292 29.700 0.269 0.000 1.033 647 E HN 0.651 nan 8.360 nan 0.000 0.409 648 A N 1.632 124.449 122.820 -0.005 0.000 2.546 648 A HA -0.126 4.194 4.320 0.000 0.000 0.295 648 A C 0.150 177.601 177.584 -0.221 0.000 1.455 648 A CA 0.390 52.381 52.037 -0.077 0.000 0.730 648 A CB -2.301 16.671 19.000 -0.046 0.000 1.111 648 A HN 0.462 nan 8.150 nan 0.000 0.411 649 V N 1.409 121.174 119.914 -0.247 0.000 2.617 649 V HA 0.230 4.350 4.120 0.000 0.000 0.304 649 V C 0.867 176.767 176.094 -0.323 0.000 1.040 649 V CA 1.155 63.221 62.300 -0.390 0.000 1.149 649 V CB 0.674 32.340 31.823 -0.262 0.000 0.914 649 V HN 0.757 nan 8.190 nan 0.000 0.487 650 E N 2.420 122.375 120.200 -0.408 0.000 2.320 650 E HA 0.636 4.986 4.350 0.000 0.000 0.264 650 E C 0.896 177.524 176.600 0.047 0.000 0.923 650 E CA -0.381 55.963 56.400 -0.093 0.000 0.796 650 E CB 1.770 31.490 29.700 0.032 0.000 1.262 650 E HN 0.564 nan 8.360 nan 0.000 0.428 651 A N 0.763 123.614 122.820 0.052 0.000 1.940 651 A HA -0.191 4.129 4.320 0.000 0.000 0.219 651 A C 1.965 179.610 177.584 0.102 0.000 1.176 651 A CA 2.034 54.104 52.037 0.056 0.000 0.631 651 A CB -0.620 18.400 19.000 0.034 0.000 0.814 651 A HN 0.476 nan 8.150 nan 0.000 0.446 652 S N -0.507 115.279 115.700 0.144 0.000 2.419 652 S HA -0.176 4.294 4.470 0.000 0.000 0.235 652 S C 1.489 176.160 174.600 0.118 0.000 1.019 652 S CA 1.614 59.883 58.200 0.115 0.000 0.982 652 S CB -0.518 62.736 63.200 0.089 0.000 0.789 652 S HN 0.796 nan 8.310 nan 0.000 0.490 653 H N 1.052 120.157 119.070 0.058 0.000 2.556 653 H HA 0.468 5.024 4.556 0.000 0.000 0.268 653 H C 0.842 176.254 175.328 0.139 0.000 0.996 653 H CA 0.094 56.215 56.048 0.122 0.000 1.157 653 H CB -0.341 29.445 29.762 0.040 0.000 1.355 653 H HN 0.362 nan 8.280 nan 0.000 0.597 654 A N 0.586 123.509 122.820 0.172 0.000 2.425 654 A HA 0.564 4.884 4.320 0.000 0.000 0.249 654 A C 1.089 178.767 177.584 0.157 0.000 1.084 654 A CA 0.664 52.766 52.037 0.108 0.000 0.781 654 A CB -0.059 18.973 19.000 0.052 0.000 1.019 654 A HN 0.550 nan 8.150 nan 0.000 0.490 655 G N 1.444 110.347 108.800 0.171 0.000 2.320 655 G HA2 0.148 4.108 3.960 0.000 0.000 0.274 655 G HA3 0.148 4.108 3.960 0.000 0.000 0.274 655 G C -1.288 173.772 174.900 0.267 0.000 1.324 655 G CA -0.797 44.409 45.100 0.176 0.000 0.957 655 G HN 0.842 nan 8.290 nan 0.000 0.481 656 N N 0.293 119.114 118.700 0.202 0.000 2.408 656 N HA 0.626 5.366 4.740 0.000 0.000 0.257 656 N C -1.055 174.611 175.510 0.260 0.000 1.064 656 N CA 0.078 53.254 53.050 0.209 0.000 0.952 656 N CB 0.659 39.203 38.487 0.095 0.000 1.093 656 N HN 0.323 nan 8.380 nan 0.000 0.490 657 F N 0.724 120.763 119.950 0.149 0.000 2.422 657 F HA 0.508 5.035 4.527 0.000 0.000 0.333 657 F C 0.579 176.526 175.800 0.245 0.000 1.095 657 F CA -0.328 57.804 58.000 0.220 0.000 1.038 657 F CB 1.725 40.907 39.000 0.302 0.000 1.156 657 F HN 0.165 nan 8.300 nan 0.000 0.483 658 T N 2.174 116.956 114.554 0.379 0.000 3.071 658 T HA 0.149 4.499 4.350 0.000 0.000 0.311 658 T C -1.391 173.499 174.700 0.316 0.000 1.042 658 T CA -0.546 61.740 62.100 0.310 0.000 1.028 658 T CB 1.131 70.078 68.868 0.131 0.000 1.068 658 T HN 0.713 nan 8.240 nan 0.000 0.451 659 c N 4.892 123.634 118.600 0.236 0.000 2.416 659 c HA 0.439 5.009 4.570 0.000 0.000 0.355 659 c C 0.254 174.295 174.090 -0.081 0.000 1.211 659 c CA -0.230 55.909 56.329 -0.317 0.000 1.699 659 c CB -1.884 40.386 42.510 -0.400 0.000 2.310 659 c HN 0.974 nan 8.230 nan 0.000 0.539 660 H N 4.451 123.395 119.070 -0.210 0.000 2.641 660 H HA 0.589 5.145 4.556 0.000 0.000 0.295 660 H C -0.188 175.060 175.328 -0.134 0.000 1.070 660 H CA 0.322 56.306 56.048 -0.106 0.000 1.257 660 H CB 0.752 30.478 29.762 -0.060 0.000 1.393 660 H HN 0.852 nan 8.280 nan 0.000 0.464 661 A N 6.310 128.912 122.820 -0.364 0.000 2.335 661 A HA 0.608 4.928 4.320 0.000 0.000 0.304 661 A C -0.560 176.857 177.584 -0.278 0.000 1.118 661 A CA -1.016 50.846 52.037 -0.291 0.000 0.757 661 A CB 0.648 19.529 19.000 -0.199 0.000 1.188 661 A HN 0.858 nan 8.150 nan 0.000 0.460 662 R N 2.197 122.559 120.500 -0.229 0.000 2.803 662 R HA 0.733 5.073 4.340 0.000 0.000 0.276 662 R C -1.028 175.230 176.300 -0.071 0.000 0.978 662 R CA -0.857 55.166 56.100 -0.129 0.000 0.939 662 R CB 1.729 31.973 30.300 -0.095 0.000 1.179 662 R HN 0.621 nan 8.270 nan 0.000 0.472 663 N N 2.742 121.416 118.700 -0.043 0.000 2.336 663 N HA 0.092 4.832 4.740 0.000 0.000 0.290 663 N C -0.940 174.560 175.510 -0.017 0.000 1.058 663 N CA -0.734 52.297 53.050 -0.032 0.000 0.865 663 N CB 1.882 40.344 38.487 -0.041 0.000 1.581 663 N HN 0.618 nan 8.380 nan 0.000 0.480 664 L N 3.746 124.964 121.223 -0.009 0.000 3.176 664 L HA -0.151 4.189 4.340 0.000 0.000 0.334 664 L C 0.875 177.742 176.870 -0.005 0.000 1.074 664 L CA 1.947 56.785 54.840 -0.002 0.000 0.865 664 L CB -0.734 41.323 42.059 -0.003 0.000 1.320 664 L HN 0.882 nan 8.230 nan 0.000 0.553 665 A N 2.394 125.217 122.820 0.005 0.000 3.115 665 A HA 0.279 4.599 4.320 0.000 0.000 0.255 665 A C 0.780 178.348 177.584 -0.027 0.000 1.380 665 A CA 0.903 52.939 52.037 -0.002 0.000 0.806 665 A CB -2.210 16.784 19.000 -0.011 0.000 1.044 665 A HN 2.316 nan 8.150 nan 0.000 0.589 666 G N -1.507 107.281 108.800 -0.019 0.000 2.361 666 G HA2 0.767 4.728 3.960 0.000 0.000 0.299 666 G HA3 0.767 4.728 3.960 0.000 0.000 0.299 666 G C -1.346 173.519 174.900 -0.058 0.000 1.544 666 G CA 0.348 45.380 45.100 -0.113 0.000 0.860 666 G HN 2.319 nan 8.290 nan 0.000 0.610 667 H N -1.380 117.658 119.070 -0.053 0.000 3.149 667 H HA 0.776 5.332 4.556 0.000 0.000 0.334 667 H C -0.841 174.441 175.328 -0.078 0.000 1.000 667 H CA -0.887 55.103 56.048 -0.096 0.000 1.415 667 H CB 1.616 31.341 29.762 -0.061 0.000 1.819 667 H HN 0.431 nan 8.280 nan 0.000 0.486 668 Q N 2.339 122.107 119.800 -0.053 0.000 2.413 668 Q HA 0.396 4.736 4.340 0.000 0.000 0.276 668 Q C -0.949 175.041 176.000 -0.017 0.000 1.099 668 Q CA -0.907 54.879 55.803 -0.028 0.000 0.814 668 Q CB 3.479 32.179 28.738 -0.062 0.000 1.379 668 Q HN 0.954 nan 8.270 nan 0.000 0.436 669 Q N 0.256 120.095 119.800 0.065 0.000 2.482 669 Q HA 0.732 5.072 4.340 0.000 0.000 0.286 669 Q C -1.636 174.467 176.000 0.172 0.000 1.007 669 Q CA -0.858 55.015 55.803 0.116 0.000 0.801 669 Q CB 2.068 30.948 28.738 0.237 0.000 1.455 669 Q HN 0.412 nan 8.270 nan 0.000 0.398 670 F N 0.464 120.382 119.950 -0.053 0.000 2.591 670 F HA 0.609 5.136 4.527 0.000 0.000 0.309 670 F C -1.410 174.387 175.800 -0.006 0.000 1.098 670 F CA -0.243 57.663 58.000 -0.156 0.000 0.937 670 F CB 2.696 41.385 39.000 -0.517 0.000 1.250 670 F HN 0.663 nan 8.300 nan 0.000 0.447 671 T N 3.322 117.413 114.554 -0.771 0.000 2.823 671 T HA 0.657 5.007 4.350 0.000 0.000 0.279 671 T C -0.801 173.573 174.700 -0.544 0.000 0.998 671 T CA -0.543 61.320 62.100 -0.395 0.000 0.994 671 T CB 1.625 70.361 68.868 -0.220 0.000 0.960 671 T HN 0.573 nan 8.240 nan 0.000 0.448 672 T N 4.569 119.104 114.554 -0.032 0.000 2.893 672 T HA 0.586 4.936 4.350 0.000 0.000 0.293 672 T C -2.723 172.121 174.700 0.242 0.000 1.027 672 T CA -1.373 60.783 62.100 0.093 0.000 0.988 672 T CB 1.890 70.907 68.868 0.249 0.000 1.043 672 T HN 0.295 nan 8.240 nan 0.000 0.461 673 P HA 0.469 nan 4.420 nan 0.000 0.284 673 P C -1.103 176.308 177.300 0.185 0.000 1.253 673 P CA -0.670 62.540 63.100 0.183 0.000 0.800 673 P CB 0.775 32.539 31.700 0.107 0.000 0.961 674 L N 3.511 124.786 121.223 0.087 0.000 2.366 674 L HA 0.415 4.755 4.340 0.000 0.000 0.266 674 L C -0.860 175.944 176.870 -0.110 0.000 1.010 674 L CA -0.494 54.244 54.840 -0.171 0.000 0.879 674 L CB 0.415 42.237 42.059 -0.395 0.000 1.228 674 L HN 0.206 nan 8.230 nan 0.000 0.439 675 N N 4.533 123.162 118.700 -0.120 0.000 2.546 675 N HA 0.355 5.095 4.740 0.000 0.000 0.238 675 N C -0.552 174.904 175.510 -0.089 0.000 0.984 675 N CA -0.141 52.870 53.050 -0.065 0.000 0.935 675 N CB 2.242 40.712 38.487 -0.030 0.000 1.122 675 N HN 0.286 nan 8.380 nan 0.000 0.510 676 V N 0.000 119.872 119.914 -0.070 0.000 2.409 676 V HA 0.000 4.120 4.120 0.000 0.000 0.244 676 V CA 0.000 62.259 62.300 -0.068 0.000 1.235 676 V CB 0.000 31.776 31.823 -0.079 0.000 1.184 676 V HN 0.000 nan 8.190 nan 0.000 0.556