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 1u0u_1_C DATA FIRST_RESID 5 DATA SEQUENCE DFEGFRKLQR ADGFASILAI GTANPPNAVD QSTYPDFYFR ITGNEHNTEL DATA SEQUENCE KDKFKRICER SAIKQRYMYL TEEILKKNPD VCAFVEVPSL DARQAMLAME DATA SEQUENCE VPRLAKEAAE KAIQEWGQSK SGITHLIFCS TTTPDLPGAD FEVAKLLGLH DATA SEQUENCE PSVKRVGVFQ HGCFAGGTVL RMAKDLAENN RGARVLVICS ETTAVTFRGP DATA SEQUENCE SETHLDSLVG QALFGDGASA LIVGADPIPQ VEKACFEIVW TAQTVVPNSE DATA SEQUENCE GAIGGKVREV GLTFQLKGAV PDLISANIEN CMVEAFSQFK ISDWNKLFWV DATA SEQUENCE VHPGGRAILD RVEAKLNLDP TKLIPTRHVM SEYGNMSSAC VHFILDQTRK DATA SEQUENCE ASLQNGCSTT GEGLEMGVLF GFGPGLTIET VVLKSVPIQ 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 5 D HA 0.000 nan 4.640 nan 0.000 0.175 5 D C 0.000 176.293 176.300 -0.011 0.000 2.045 5 D CA 0.000 53.989 54.000 -0.018 0.000 0.868 5 D CB 0.000 40.799 40.800 -0.001 0.000 0.688 6 F N 1.043 121.029 119.950 0.060 0.000 2.171 6 F HA 0.004 4.531 4.527 -0.000 0.000 0.300 6 F C 2.243 178.122 175.800 0.132 0.000 1.090 6 F CA 0.769 58.838 58.000 0.114 0.000 1.293 6 F CB -0.018 39.037 39.000 0.091 0.000 1.013 6 F HN 0.317 nan 8.300 nan 0.000 0.486 7 E N 0.023 120.384 120.200 0.269 0.000 2.331 7 E HA -0.103 4.247 4.350 -0.000 0.000 0.199 7 E C 2.378 179.052 176.600 0.123 0.000 1.008 7 E CA 0.948 57.446 56.400 0.163 0.000 0.843 7 E CB -0.733 29.035 29.700 0.113 0.000 0.761 7 E HN 0.362 nan 8.360 nan 0.000 0.507 8 G N -0.858 108.018 108.800 0.128 0.000 2.459 8 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.213 8 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.213 8 G C 1.366 176.345 174.900 0.131 0.000 1.155 8 G CA 0.142 45.300 45.100 0.097 0.000 0.811 8 G HN 0.320 nan 8.290 nan 0.000 0.534 9 F N 1.748 121.698 119.950 -0.000 0.000 2.171 9 F HA 0.097 4.624 4.527 -0.000 0.000 0.300 9 F C 2.576 178.393 175.800 0.028 0.000 1.090 9 F CA 1.008 59.005 58.000 -0.005 0.000 1.293 9 F CB 0.035 39.011 39.000 -0.039 0.000 1.013 9 F HN -0.055 nan 8.300 nan 0.000 0.486 10 R N 1.003 121.497 120.500 -0.011 0.000 2.096 10 R HA -0.133 4.207 4.340 -0.000 0.000 0.235 10 R C 2.110 178.333 176.300 -0.128 0.000 1.127 10 R CA 1.541 57.573 56.100 -0.113 0.000 0.968 10 R CB -0.369 29.943 30.300 0.020 0.000 0.861 10 R HN 0.372 nan 8.270 nan 0.000 0.440 11 K N 0.046 120.410 120.400 -0.059 0.000 2.116 11 K HA -0.033 4.287 4.320 -0.000 0.000 0.203 11 K C 2.152 178.708 176.600 -0.073 0.000 1.052 11 K CA 0.617 56.874 56.287 -0.051 0.000 0.952 11 K CB -0.095 32.397 32.500 -0.013 0.000 0.729 11 K HN 0.127 nan 8.250 nan 0.000 0.446 12 L N 1.311 122.487 121.223 -0.078 0.000 2.156 12 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 12 L C 2.644 179.430 176.870 -0.139 0.000 1.095 12 L CA 1.060 55.860 54.840 -0.067 0.000 0.770 12 L CB -0.068 41.994 42.059 0.005 0.000 0.914 12 L HN 0.259 nan 8.230 nan 0.000 0.439 13 Q N 0.737 120.354 119.800 -0.305 0.000 2.181 13 Q HA -0.174 4.166 4.340 -0.000 0.000 0.205 13 Q C 0.626 176.516 176.000 -0.185 0.000 0.980 13 Q CA 0.895 56.482 55.803 -0.359 0.000 0.862 13 Q CB 0.150 28.482 28.738 -0.678 0.000 0.905 13 Q HN 0.523 nan 8.270 nan 0.000 0.429 14 R N -0.806 119.608 120.500 -0.142 0.000 2.596 14 R HA 0.679 5.019 4.340 -0.000 0.000 0.267 14 R C -0.673 175.588 176.300 -0.065 0.000 1.026 14 R CA -0.232 55.813 56.100 -0.091 0.000 1.087 14 R CB 0.984 31.236 30.300 -0.079 0.000 1.132 14 R HN -0.017 nan 8.270 nan 0.000 0.531 15 A N 0.812 123.601 122.820 -0.052 0.000 2.246 15 A HA 0.247 4.567 4.320 -0.000 0.000 0.291 15 A C -0.220 177.337 177.584 -0.046 0.000 1.103 15 A CA -0.670 51.343 52.037 -0.040 0.000 0.844 15 A CB 0.453 19.434 19.000 -0.032 0.000 1.136 15 A HN 0.920 nan 8.150 nan 0.000 0.500 16 D N 0.292 120.664 120.400 -0.047 0.000 2.648 16 D HA 0.141 4.781 4.640 -0.000 0.000 0.261 16 D C 1.518 177.757 176.300 -0.103 0.000 1.261 16 D CA 1.166 55.126 54.000 -0.068 0.000 1.011 16 D CB -1.114 39.649 40.800 -0.061 0.000 1.092 16 D HN 0.652 nan 8.370 nan 0.000 0.417 17 G N 0.143 108.884 108.800 -0.099 0.000 2.443 17 G HA2 0.160 4.120 3.960 -0.000 0.000 0.286 17 G HA3 0.160 4.120 3.960 -0.000 0.000 0.286 17 G C -0.233 174.605 174.900 -0.104 0.000 1.393 17 G CA -0.463 44.546 45.100 -0.152 0.000 1.080 17 G HN 0.076 nan 8.290 nan 0.000 0.566 18 F N 0.147 120.094 119.950 -0.005 0.000 2.389 18 F HA 0.454 4.980 4.527 -0.000 0.000 0.337 18 F C 1.157 176.949 175.800 -0.014 0.000 1.112 18 F CA -0.549 57.447 58.000 -0.006 0.000 1.192 18 F CB 1.161 40.161 39.000 -0.000 0.000 1.185 18 F HN 0.481 nan 8.300 nan 0.000 0.552 19 A N 2.606 125.555 122.820 0.215 0.000 2.488 19 A HA 0.464 4.784 4.320 -0.000 0.000 0.249 19 A C -0.388 177.237 177.584 0.069 0.000 1.083 19 A CA -0.160 51.924 52.037 0.078 0.000 0.768 19 A CB 0.004 19.015 19.000 0.019 0.000 1.017 19 A HN 0.668 nan 8.150 nan 0.000 0.496 20 S N 1.234 116.960 115.700 0.044 0.000 2.599 20 S HA 0.603 5.073 4.470 -0.000 0.000 0.294 20 S C -0.408 174.203 174.600 0.018 0.000 1.094 20 S CA -0.465 57.764 58.200 0.048 0.000 0.931 20 S CB 1.377 64.611 63.200 0.058 0.000 1.093 20 S HN 0.563 nan 8.310 nan 0.000 0.488 21 I N 2.643 123.245 120.570 0.052 0.000 2.291 21 I HA 0.193 4.363 4.170 -0.000 0.000 0.290 21 I C 0.415 176.544 176.117 0.021 0.000 1.050 21 I CA -0.160 61.161 61.300 0.035 0.000 1.245 21 I CB 0.492 38.570 38.000 0.131 0.000 1.405 21 I HN 0.564 nan 8.210 nan 0.000 0.478 22 L N 6.146 127.354 121.223 -0.026 0.000 2.477 22 L HA 0.421 4.761 4.340 -0.000 0.000 0.220 22 L C 0.791 177.684 176.870 0.039 0.000 1.106 22 L CA 0.140 54.993 54.840 0.021 0.000 0.851 22 L CB -0.116 41.973 42.059 0.049 0.000 0.994 22 L HN 0.684 nan 8.230 nan 0.000 0.462 23 A N 0.509 123.314 122.820 -0.024 0.000 2.594 23 A HA 0.738 5.058 4.320 -0.000 0.000 0.296 23 A C -1.313 176.242 177.584 -0.049 0.000 1.061 23 A CA -0.372 51.662 52.037 -0.005 0.000 0.689 23 A CB 1.327 20.351 19.000 0.040 0.000 1.280 23 A HN 0.037 nan 8.150 nan 0.000 0.406 24 I N 1.525 122.072 120.570 -0.040 0.000 2.478 24 I HA 0.589 4.759 4.170 -0.000 0.000 0.287 24 I C 0.385 176.438 176.117 -0.107 0.000 1.042 24 I CA -0.574 60.676 61.300 -0.083 0.000 1.067 24 I CB 2.288 40.255 38.000 -0.054 0.000 1.233 24 I HN 0.810 nan 8.210 nan 0.000 0.431 25 G N 3.099 111.813 108.800 -0.144 0.000 2.452 25 G HA2 0.685 4.645 3.960 -0.000 0.000 0.324 25 G HA3 0.685 4.645 3.960 -0.000 0.000 0.324 25 G C -1.082 173.671 174.900 -0.245 0.000 1.214 25 G CA -0.316 44.695 45.100 -0.149 0.000 0.947 25 G HN 0.425 nan 8.290 nan 0.000 0.478 26 T N -0.486 113.896 114.554 -0.288 0.000 2.906 26 T HA 0.811 5.160 4.350 -0.000 0.000 0.295 26 T C -0.706 173.866 174.700 -0.212 0.000 1.075 26 T CA 0.087 61.911 62.100 -0.460 0.000 1.005 26 T CB 1.716 70.021 68.868 -0.938 0.000 1.136 26 T HN 1.483 nan 8.240 nan 0.000 0.498 27 A N 2.793 125.562 122.820 -0.085 0.000 2.582 27 A HA 0.745 5.065 4.320 -0.000 0.000 0.297 27 A C -1.554 176.089 177.584 0.098 0.000 1.059 27 A CA -0.917 51.130 52.037 0.016 0.000 0.705 27 A CB 1.205 20.208 19.000 0.005 0.000 1.279 27 A HN 0.778 nan 8.150 nan 0.000 0.404 28 N N 1.112 119.812 118.700 -0.001 0.000 2.321 28 N HA 0.763 5.503 4.740 -0.000 0.000 0.290 28 N C -3.090 172.423 175.510 0.006 0.000 1.212 28 N CA -1.385 51.642 53.050 -0.039 0.000 0.767 28 N CB 1.723 39.993 38.487 -0.361 0.000 1.494 28 N HN 0.385 nan 8.380 nan 0.000 0.479 29 P HA 0.156 nan 4.420 nan 0.000 0.271 29 P C -1.801 175.631 177.300 0.220 0.000 1.233 29 P CA -0.846 62.366 63.100 0.187 0.000 0.789 29 P CB 0.324 32.176 31.700 0.253 0.000 0.951 30 P HA -0.152 nan 4.420 nan 0.000 0.211 30 P C 0.129 177.550 177.300 0.202 0.000 1.179 30 P CA 1.286 64.488 63.100 0.169 0.000 0.910 30 P CB -0.368 31.394 31.700 0.103 0.000 0.785 31 N N 0.468 119.240 118.700 0.120 0.000 2.374 31 N HA 0.111 4.851 4.740 -0.000 0.000 0.269 31 N C -0.890 174.622 175.510 0.004 0.000 1.310 31 N CA 0.164 53.237 53.050 0.038 0.000 0.877 31 N CB -0.374 38.101 38.487 -0.021 0.000 1.096 31 N HN -0.013 nan 8.380 nan 0.000 0.484 32 A N 3.935 126.685 122.820 -0.115 0.000 2.256 32 A HA 0.431 4.751 4.320 -0.000 0.000 0.317 32 A C -0.238 177.155 177.584 -0.318 0.000 1.318 32 A CA -0.845 50.942 52.037 -0.417 0.000 0.894 32 A CB 0.497 19.230 19.000 -0.447 0.000 1.165 32 A HN 0.711 nan 8.150 nan 0.000 0.525 33 V N 2.279 121.993 119.914 -0.333 0.000 2.364 33 V HA 0.399 4.519 4.120 -0.000 0.000 0.272 33 V C -0.282 175.668 176.094 -0.239 0.000 1.036 33 V CA -0.643 61.500 62.300 -0.261 0.000 0.880 33 V CB 1.160 32.829 31.823 -0.257 0.000 0.991 33 V HN 0.791 nan 8.190 nan 0.000 0.460 34 D N 4.304 124.607 120.400 -0.161 0.000 2.383 34 D HA 0.074 4.714 4.640 -0.000 0.000 0.252 34 D C 0.866 177.134 176.300 -0.053 0.000 1.166 34 D CA 0.353 54.284 54.000 -0.116 0.000 0.879 34 D CB 1.970 42.725 40.800 -0.075 0.000 1.164 34 D HN 0.852 nan 8.370 nan 0.000 0.462 35 Q N 2.227 121.982 119.800 -0.075 0.000 2.226 35 Q HA -0.124 4.216 4.340 -0.000 0.000 0.204 35 Q C 1.615 177.640 176.000 0.042 0.000 0.975 35 Q CA 1.446 57.234 55.803 -0.025 0.000 0.866 35 Q CB -0.038 28.653 28.738 -0.079 0.000 0.915 35 Q HN 0.467 nan 8.270 nan 0.000 0.440 36 S N -0.682 115.023 115.700 0.009 0.000 2.383 36 S HA -0.151 4.319 4.470 -0.000 0.000 0.229 36 S C 1.720 176.359 174.600 0.066 0.000 1.030 36 S CA 1.667 59.878 58.200 0.018 0.000 1.002 36 S CB -0.471 62.726 63.200 -0.004 0.000 0.829 36 S HN 0.764 nan 8.310 nan 0.000 0.467 37 T N -2.438 112.179 114.554 0.105 0.000 3.054 37 T HA 0.215 4.565 4.350 -0.000 0.000 0.255 37 T C 1.259 176.136 174.700 0.295 0.000 1.035 37 T CA -0.320 61.872 62.100 0.153 0.000 0.941 37 T CB -0.317 68.615 68.868 0.106 0.000 1.026 37 T HN 0.263 nan 8.240 nan 0.000 0.533 38 Y N 3.415 123.819 120.300 0.173 0.000 2.165 38 Y HA 0.091 4.641 4.550 -0.000 0.000 0.286 38 Y C -1.041 175.177 175.900 0.529 0.000 1.155 38 Y CA 0.731 59.033 58.100 0.338 0.000 1.164 38 Y CB -1.232 37.382 38.460 0.256 0.000 0.978 38 Y HN 0.229 nan 8.280 nan 0.000 0.513 39 P HA -0.154 nan 4.420 nan 0.000 0.214 39 P C 1.336 178.900 177.300 0.439 0.000 1.163 39 P CA 2.357 65.771 63.100 0.524 0.000 0.889 39 P CB 0.025 31.882 31.700 0.261 0.000 0.790 40 D N -1.590 118.977 120.400 0.278 0.000 2.117 40 D HA -0.163 4.477 4.640 -0.000 0.000 0.197 40 D C 1.754 178.198 176.300 0.241 0.000 0.987 40 D CA 1.014 55.144 54.000 0.217 0.000 0.829 40 D CB -0.962 39.937 40.800 0.165 0.000 0.961 40 D HN 0.129 nan 8.370 nan 0.000 0.460 41 F N 0.604 120.637 119.950 0.139 0.000 2.146 41 F HA -0.229 4.298 4.527 -0.000 0.000 0.298 41 F C 2.285 178.123 175.800 0.063 0.000 1.096 41 F CA 0.984 59.051 58.000 0.112 0.000 1.275 41 F CB -0.582 38.525 39.000 0.178 0.000 1.008 41 F HN -0.073 nan 8.300 nan 0.000 0.480 42 Y N -0.382 119.731 120.300 -0.312 0.000 2.224 42 Y HA -0.196 4.354 4.550 -0.000 0.000 0.289 42 Y C 1.746 177.349 175.900 -0.494 0.000 1.146 42 Y CA 1.772 59.544 58.100 -0.548 0.000 1.182 42 Y CB -0.830 37.174 38.460 -0.760 0.000 0.983 42 Y HN 0.077 nan 8.280 nan 0.000 0.524 43 F N -0.284 119.446 119.950 -0.367 0.000 2.512 43 F HA 0.097 4.624 4.527 -0.000 0.000 0.296 43 F C 2.552 178.162 175.800 -0.316 0.000 1.110 43 F CA 1.025 58.786 58.000 -0.398 0.000 1.446 43 F CB -0.350 38.516 39.000 -0.223 0.000 1.092 43 F HN -0.056 nan 8.300 nan 0.000 0.554 44 R N 0.301 120.727 120.500 -0.123 0.000 2.052 44 R HA -0.080 4.260 4.340 -0.000 0.000 0.226 44 R C 2.181 178.353 176.300 -0.214 0.000 1.145 44 R CA 1.128 57.159 56.100 -0.116 0.000 0.952 44 R CB -0.457 29.818 30.300 -0.042 0.000 0.847 44 R HN 0.082 nan 8.270 nan 0.000 0.431 45 I N 1.417 121.762 120.570 -0.375 0.000 2.264 45 I HA -0.188 3.982 4.170 -0.000 0.000 0.248 45 I C 1.287 177.239 176.117 -0.275 0.000 1.111 45 I CA 1.655 62.730 61.300 -0.374 0.000 1.382 45 I CB -0.659 36.936 38.000 -0.674 0.000 1.060 45 I HN 0.277 nan 8.210 nan 0.000 0.418 46 T N 0.313 114.632 114.554 -0.392 0.000 3.169 46 T HA 0.186 4.535 4.350 -0.000 0.000 0.250 46 T C 1.051 175.573 174.700 -0.297 0.000 1.111 46 T CA 0.601 62.468 62.100 -0.390 0.000 1.010 46 T CB -0.375 68.038 68.868 -0.759 0.000 0.984 46 T HN 0.575 nan 8.240 nan 0.000 0.537 47 G N 2.846 111.512 108.800 -0.224 0.000 2.370 47 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.293 47 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.293 47 G C 0.298 175.117 174.900 -0.135 0.000 0.992 47 G CA -0.155 44.872 45.100 -0.121 0.000 1.247 47 G HN 0.508 nan 8.290 nan 0.000 0.505 48 N N -0.375 118.182 118.700 -0.237 0.000 2.232 48 N HA 0.038 4.778 4.740 -0.000 0.000 0.240 48 N C 1.495 176.776 175.510 -0.382 0.000 1.307 48 N CA -0.145 52.650 53.050 -0.425 0.000 0.859 48 N CB 0.418 38.711 38.487 -0.323 0.000 1.260 48 N HN 0.468 nan 8.380 nan 0.000 0.501 49 E N 0.920 121.013 120.200 -0.179 0.000 2.108 49 E HA -0.263 4.087 4.350 -0.000 0.000 0.203 49 E C 1.553 178.080 176.600 -0.122 0.000 1.022 49 E CA 1.767 58.119 56.400 -0.080 0.000 0.823 49 E CB -0.455 29.237 29.700 -0.014 0.000 0.744 49 E HN 0.680 nan 8.360 nan 0.000 0.456 50 H N 0.650 119.735 119.070 0.024 0.000 2.390 50 H HA -0.085 4.471 4.556 -0.000 0.000 0.298 50 H C 1.033 176.367 175.328 0.010 0.000 1.106 50 H CA 1.458 57.512 56.048 0.011 0.000 1.297 50 H CB -0.866 28.899 29.762 0.005 0.000 1.375 50 H HN 0.073 nan 8.280 nan 0.000 0.509 51 N N 0.662 119.199 118.700 -0.272 0.000 2.971 51 N HA -0.050 4.690 4.740 -0.000 0.000 0.294 51 N C 1.104 176.569 175.510 -0.076 0.000 1.210 51 N CA 0.304 53.338 53.050 -0.027 0.000 1.157 51 N CB 0.143 38.610 38.487 -0.034 0.000 1.450 51 N HN 0.484 nan 8.380 nan 0.000 0.527 52 T N 1.622 116.146 114.554 -0.051 0.000 2.699 52 T HA -0.210 4.140 4.350 -0.000 0.000 0.268 52 T C 1.176 175.818 174.700 -0.097 0.000 1.036 52 T CA 1.853 63.901 62.100 -0.088 0.000 1.147 52 T CB -0.013 68.829 68.868 -0.044 0.000 0.862 52 T HN 0.540 nan 8.240 nan 0.000 0.446 53 E N 1.236 121.409 120.200 -0.046 0.000 2.023 53 E HA -0.064 4.286 4.350 -0.000 0.000 0.196 53 E C 2.071 178.645 176.600 -0.043 0.000 1.003 53 E CA 1.194 57.574 56.400 -0.033 0.000 0.809 53 E CB -0.858 28.840 29.700 -0.004 0.000 0.755 53 E HN 0.379 nan 8.360 nan 0.000 0.449 54 L N 1.042 122.252 121.223 -0.021 0.000 2.131 54 L HA -0.106 4.234 4.340 -0.000 0.000 0.210 54 L C 2.053 178.858 176.870 -0.108 0.000 1.092 54 L CA 1.805 56.667 54.840 0.037 0.000 0.759 54 L CB -0.358 41.798 42.059 0.162 0.000 0.903 54 L HN 0.031 nan 8.230 nan 0.000 0.435 55 K N -0.522 119.583 120.400 -0.491 0.000 2.097 55 K HA -0.209 4.111 4.320 -0.000 0.000 0.206 55 K C 1.886 178.246 176.600 -0.400 0.000 1.049 55 K CA 1.567 57.215 56.287 -1.066 0.000 0.933 55 K CB -0.292 31.586 32.500 -1.036 0.000 0.717 55 K HN 0.613 nan 8.250 nan 0.000 0.442 56 D N 0.560 120.835 120.400 -0.208 0.000 2.178 56 D HA -0.212 4.428 4.640 -0.000 0.000 0.202 56 D C 1.697 177.975 176.300 -0.036 0.000 0.974 56 D CA 1.163 55.102 54.000 -0.102 0.000 0.841 56 D CB 0.041 40.797 40.800 -0.073 0.000 0.953 56 D HN 0.087 nan 8.370 nan 0.000 0.478 57 K N -0.407 119.995 120.400 0.002 0.000 2.026 57 K HA -0.121 4.199 4.320 -0.000 0.000 0.208 57 K C 2.183 178.863 176.600 0.133 0.000 1.048 57 K CA 1.215 57.540 56.287 0.063 0.000 0.929 57 K CB -0.514 32.038 32.500 0.088 0.000 0.713 57 K HN 0.172 nan 8.250 nan 0.000 0.439 58 F N 1.251 121.222 119.950 0.036 0.000 2.146 58 F HA -0.144 4.383 4.527 -0.000 0.000 0.298 58 F C 2.172 178.007 175.800 0.059 0.000 1.096 58 F CA 1.348 59.419 58.000 0.119 0.000 1.275 58 F CB -0.015 39.208 39.000 0.372 0.000 1.008 58 F HN -0.081 nan 8.300 nan 0.000 0.480 59 K N 0.232 120.626 120.400 -0.010 0.000 2.074 59 K HA -0.291 4.029 4.320 -0.000 0.000 0.209 59 K C 2.287 178.807 176.600 -0.133 0.000 1.048 59 K CA 1.763 57.987 56.287 -0.105 0.000 0.926 59 K CB -0.183 32.278 32.500 -0.065 0.000 0.713 59 K HN 0.135 nan 8.250 nan 0.000 0.444 60 R N 0.812 121.261 120.500 -0.086 0.000 2.075 60 R HA 0.049 4.389 4.340 -0.000 0.000 0.232 60 R C 2.189 178.432 176.300 -0.096 0.000 1.126 60 R CA 1.180 57.236 56.100 -0.073 0.000 0.963 60 R CB -0.329 29.947 30.300 -0.040 0.000 0.858 60 R HN 0.254 nan 8.270 nan 0.000 0.435 61 I N -0.461 120.045 120.570 -0.107 0.000 2.194 61 I HA -0.428 3.742 4.170 -0.000 0.000 0.246 61 I C 2.142 178.148 176.117 -0.184 0.000 1.093 61 I CA 1.292 62.525 61.300 -0.113 0.000 1.355 61 I CB -0.324 37.631 38.000 -0.076 0.000 1.046 61 I HN 0.274 nan 8.210 nan 0.000 0.413 62 C N 1.185 120.298 119.300 -0.312 0.000 2.436 62 C HA -0.151 4.309 4.460 -0.000 0.000 0.277 62 C C 2.596 177.490 174.990 -0.159 0.000 1.241 62 C CA 1.203 60.049 59.018 -0.287 0.000 1.721 62 C CB -1.210 26.300 27.740 -0.383 0.000 2.043 62 C HN 0.580 nan 8.230 nan 0.000 0.472 63 E N 1.611 121.733 120.200 -0.130 0.000 2.515 63 E HA -0.192 4.158 4.350 -0.000 0.000 0.201 63 E C 1.649 178.205 176.600 -0.073 0.000 1.071 63 E CA 0.792 57.141 56.400 -0.086 0.000 0.880 63 E CB -0.356 29.303 29.700 -0.068 0.000 0.828 63 E HN 0.802 nan 8.360 nan 0.000 0.540 64 R N 0.684 121.137 120.500 -0.079 0.000 2.404 64 R HA 0.152 4.492 4.340 -0.000 0.000 0.237 64 R C 1.905 178.167 176.300 -0.063 0.000 0.907 64 R CA 0.629 56.693 56.100 -0.061 0.000 1.063 64 R CB -0.107 30.162 30.300 -0.051 0.000 1.134 64 R HN 0.108 nan 8.270 nan 0.000 0.529 65 S N 1.136 116.788 115.700 -0.081 0.000 2.469 65 S HA 0.030 4.500 4.470 -0.000 0.000 0.238 65 S C 1.563 176.120 174.600 -0.072 0.000 0.998 65 S CA 0.585 58.736 58.200 -0.083 0.000 0.957 65 S CB 0.028 63.164 63.200 -0.107 0.000 0.764 65 S HN 0.626 nan 8.310 nan 0.000 0.514 66 A N -0.017 122.762 122.820 -0.068 0.000 3.021 66 A HA -0.144 4.176 4.320 -0.000 0.000 0.257 66 A C 0.258 177.800 177.584 -0.071 0.000 1.277 66 A CA 1.077 53.078 52.037 -0.060 0.000 1.012 66 A CB -2.612 16.360 19.000 -0.047 0.000 1.147 66 A HN 0.661 nan 8.150 nan 0.000 0.861 67 I N -0.539 119.981 120.570 -0.085 0.000 2.354 67 I HA 0.278 4.447 4.170 -0.000 0.000 0.292 67 I C 1.231 177.284 176.117 -0.107 0.000 0.989 67 I CA -0.500 60.741 61.300 -0.097 0.000 1.188 67 I CB 1.570 39.507 38.000 -0.106 0.000 1.342 67 I HN 0.213 nan 8.210 nan 0.000 0.457 68 K N 4.299 124.626 120.400 -0.123 0.000 2.308 68 K HA 0.106 4.426 4.320 -0.000 0.000 0.197 68 K C 0.340 176.848 176.600 -0.154 0.000 1.049 68 K CA 0.405 56.616 56.287 -0.126 0.000 0.991 68 K CB 0.603 33.025 32.500 -0.130 0.000 0.836 68 K HN 0.670 nan 8.250 nan 0.000 0.500 69 Q N -0.140 119.546 119.800 -0.190 0.000 2.633 69 Q HA 0.391 4.731 4.340 -0.000 0.000 0.289 69 Q C -1.687 174.158 176.000 -0.260 0.000 0.940 69 Q CA -0.962 54.690 55.803 -0.252 0.000 0.785 69 Q CB 1.862 30.412 28.738 -0.313 0.000 1.467 69 Q HN -0.083 nan 8.270 nan 0.000 0.401 70 R N 0.452 120.756 120.500 -0.326 0.000 2.710 70 R HA 0.448 4.788 4.340 -0.000 0.000 0.270 70 R C -1.779 174.321 176.300 -0.332 0.000 1.021 70 R CA -0.703 55.273 56.100 -0.207 0.000 0.889 70 R CB 1.820 32.037 30.300 -0.138 0.000 1.243 70 R HN 0.562 nan 8.270 nan 0.000 0.464 71 Y N 1.573 121.881 120.300 0.012 0.000 2.331 71 Y HA 0.469 5.018 4.550 -0.000 0.000 0.338 71 Y C 0.182 176.111 175.900 0.048 0.000 0.976 71 Y CA -0.432 57.691 58.100 0.038 0.000 1.137 71 Y CB 1.563 40.084 38.460 0.100 0.000 1.172 71 Y HN 0.194 nan 8.280 nan 0.000 0.478 72 M N 3.313 122.992 119.600 0.131 0.000 2.321 72 M HA 0.185 4.665 4.480 -0.000 0.000 0.315 72 M C 0.232 176.619 176.300 0.145 0.000 1.052 72 M CA -0.870 54.507 55.300 0.128 0.000 0.936 72 M CB 1.625 34.260 32.600 0.058 0.000 1.639 72 M HN 0.855 nan 8.290 nan 0.000 0.433 73 Y N 3.749 124.094 120.300 0.074 0.000 2.242 73 Y HA 0.106 4.656 4.550 -0.000 0.000 0.291 73 Y C 0.140 176.059 175.900 0.033 0.000 1.137 73 Y CA 1.100 59.236 58.100 0.060 0.000 1.181 73 Y CB 0.205 38.699 38.460 0.056 0.000 0.989 73 Y HN 0.523 nan 8.280 nan 0.000 0.527 74 L N 3.100 124.226 121.223 -0.162 0.000 2.477 74 L HA 0.153 4.493 4.340 -0.000 0.000 0.272 74 L C 0.514 177.271 176.870 -0.188 0.000 1.157 74 L CA 0.224 54.890 54.840 -0.290 0.000 0.889 74 L CB 0.275 42.213 42.059 -0.201 0.000 1.158 74 L HN 0.298 nan 8.230 nan 0.000 0.473 75 T N -1.928 112.504 114.554 -0.203 0.000 2.927 75 T HA 0.206 4.556 4.350 -0.000 0.000 0.286 75 T C 0.711 175.436 174.700 0.042 0.000 1.040 75 T CA -0.850 61.210 62.100 -0.068 0.000 1.010 75 T CB 1.783 70.589 68.868 -0.104 0.000 1.177 75 T HN 0.621 nan 8.240 nan 0.000 0.546 76 E N -0.096 120.201 120.200 0.161 0.000 2.204 76 E HA -0.190 4.160 4.350 -0.000 0.000 0.195 76 E C 1.749 178.396 176.600 0.078 0.000 0.990 76 E CA 1.177 57.721 56.400 0.239 0.000 0.821 76 E CB 0.050 29.946 29.700 0.326 0.000 0.750 76 E HN 0.801 nan 8.360 nan 0.000 0.477 77 E N 0.406 120.621 120.200 0.024 0.000 2.015 77 E HA -0.189 4.161 4.350 -0.000 0.000 0.191 77 E C 2.116 178.701 176.600 -0.025 0.000 0.991 77 E CA 1.370 57.768 56.400 -0.003 0.000 0.802 77 E CB -0.093 29.595 29.700 -0.021 0.000 0.759 77 E HN 0.321 nan 8.360 nan 0.000 0.447 78 I N 1.094 121.623 120.570 -0.068 0.000 2.264 78 I HA -0.309 3.861 4.170 -0.000 0.000 0.248 78 I C 2.444 178.527 176.117 -0.057 0.000 1.111 78 I CA 0.919 62.169 61.300 -0.082 0.000 1.382 78 I CB -0.290 37.600 38.000 -0.184 0.000 1.060 78 I HN 0.238 nan 8.210 nan 0.000 0.418 79 L N 0.478 121.662 121.223 -0.066 0.000 2.027 79 L HA -0.195 4.145 4.340 -0.000 0.000 0.206 79 L C 2.446 179.302 176.870 -0.022 0.000 1.074 79 L CA 1.500 56.303 54.840 -0.061 0.000 0.745 79 L CB -0.564 41.438 42.059 -0.097 0.000 0.898 79 L HN 0.152 nan 8.230 nan 0.000 0.433 80 K N 0.039 120.432 120.400 -0.011 0.000 2.360 80 K HA -0.195 4.125 4.320 -0.000 0.000 0.201 80 K C 1.975 178.575 176.600 0.001 0.000 1.046 80 K CA 0.908 57.194 56.287 -0.003 0.000 0.945 80 K CB 0.007 32.512 32.500 0.008 0.000 0.750 80 K HN 0.205 nan 8.250 nan 0.000 0.464 81 K N 0.391 120.790 120.400 -0.001 0.000 2.352 81 K HA 0.042 4.362 4.320 -0.000 0.000 0.194 81 K C 0.092 176.698 176.600 0.010 0.000 1.038 81 K CA 0.310 56.600 56.287 0.005 0.000 1.023 81 K CB 0.529 33.031 32.500 0.003 0.000 0.840 81 K HN -0.011 nan 8.250 nan 0.000 0.519 82 N N 1.791 120.497 118.700 0.010 0.000 2.813 82 N HA 0.134 4.874 4.740 -0.000 0.000 0.282 82 N C -2.518 173.010 175.510 0.031 0.000 1.748 82 N CA -1.165 51.900 53.050 0.024 0.000 0.860 82 N CB 1.775 40.282 38.487 0.033 0.000 1.204 82 N HN 0.037 nan 8.380 nan 0.000 0.490 83 P HA -0.153 nan 4.420 nan 0.000 0.215 83 P C 0.521 177.842 177.300 0.036 0.000 1.157 83 P CA 1.446 64.559 63.100 0.022 0.000 0.874 83 P CB 0.311 32.018 31.700 0.012 0.000 0.790 84 D N -0.660 119.760 120.400 0.033 0.000 2.170 84 D HA -0.166 4.474 4.640 -0.000 0.000 0.193 84 D C 1.698 178.032 176.300 0.056 0.000 1.004 84 D CA 1.068 55.088 54.000 0.034 0.000 0.860 84 D CB -1.168 39.649 40.800 0.028 0.000 0.931 84 D HN 0.006 nan 8.370 nan 0.000 0.448 85 V N 0.158 120.127 119.914 0.091 0.000 2.913 85 V HA -0.181 3.939 4.120 -0.000 0.000 0.260 85 V C 1.939 178.187 176.094 0.255 0.000 1.098 85 V CA 1.050 63.452 62.300 0.170 0.000 1.121 85 V CB -0.194 31.743 31.823 0.189 0.000 0.714 85 V HN 0.494 nan 8.190 nan 0.000 0.487 86 C N -0.298 119.110 119.300 0.180 0.000 2.563 86 C HA 0.471 4.931 4.460 -0.000 0.000 0.268 86 C C 1.756 176.747 174.990 0.002 0.000 1.365 86 C CA -0.571 58.533 59.018 0.143 0.000 1.754 86 C CB -1.253 26.528 27.740 0.068 0.000 1.932 86 C HN 0.541 nan 8.230 nan 0.000 0.536 87 A N 0.465 123.299 122.820 0.023 0.000 2.364 87 A HA 0.378 4.698 4.320 -0.000 0.000 0.258 87 A C 0.673 178.289 177.584 0.053 0.000 1.131 87 A CA 0.108 52.159 52.037 0.023 0.000 0.800 87 A CB -0.061 18.953 19.000 0.023 0.000 1.086 87 A HN 0.369 nan 8.150 nan 0.000 0.508 88 F N -0.573 119.331 119.950 -0.077 0.000 2.204 88 F HA 0.305 4.832 4.527 -0.000 0.000 0.276 88 F C 1.221 176.992 175.800 -0.049 0.000 1.085 88 F CA 1.751 59.705 58.000 -0.078 0.000 1.160 88 F CB 0.044 39.012 39.000 -0.053 0.000 1.091 88 F HN 0.229 nan 8.300 nan 0.000 0.522 89 V N 0.028 119.752 119.914 -0.316 0.000 3.663 89 V HA 0.162 4.281 4.120 -0.000 0.000 0.353 89 V C 0.394 176.406 176.094 -0.136 0.000 1.551 89 V CA 0.147 62.192 62.300 -0.425 0.000 1.331 89 V CB 0.401 31.727 31.823 -0.829 0.000 1.059 89 V HN 0.260 nan 8.190 nan 0.000 0.502 90 E N 0.757 120.942 120.200 -0.024 0.000 2.216 90 E HA 0.080 4.430 4.350 -0.000 0.000 0.192 90 E C 0.569 177.164 176.600 -0.009 0.000 0.988 90 E CA 1.190 57.595 56.400 0.008 0.000 0.834 90 E CB 0.352 30.078 29.700 0.043 0.000 0.772 90 E HN 0.629 nan 8.360 nan 0.000 0.479 91 V N -2.029 117.873 119.914 -0.019 0.000 2.876 91 V HA 0.585 4.705 4.120 -0.000 0.000 0.312 91 V C -2.636 173.441 176.094 -0.028 0.000 1.085 91 V CA -2.732 59.559 62.300 -0.016 0.000 0.945 91 V CB 1.999 33.819 31.823 -0.003 0.000 1.017 91 V HN -0.175 nan 8.190 nan 0.000 0.428 92 P HA 0.305 nan 4.420 nan 0.000 0.272 92 P C 0.130 177.422 177.300 -0.013 0.000 1.230 92 P CA 0.263 63.348 63.100 -0.026 0.000 0.788 92 P CB 1.561 33.249 31.700 -0.020 0.000 0.949 93 S N -0.760 114.934 115.700 -0.010 0.000 2.976 93 S HA 0.036 4.506 4.470 -0.000 0.000 0.252 93 S C 1.336 175.945 174.600 0.014 0.000 0.940 93 S CA -0.511 57.696 58.200 0.011 0.000 1.283 93 S CB -0.736 62.480 63.200 0.027 0.000 1.194 93 S HN 0.305 nan 8.310 nan 0.000 0.662 94 L N 2.072 123.295 121.223 -0.000 0.000 1.989 94 L HA -0.129 4.211 4.340 -0.000 0.000 0.211 94 L C 1.673 178.545 176.870 0.002 0.000 1.071 94 L CA 2.420 57.259 54.840 -0.002 0.000 0.749 94 L CB -0.597 41.454 42.059 -0.013 0.000 0.890 94 L HN 0.300 nan 8.230 nan 0.000 0.431 95 D N 0.092 120.492 120.400 -0.000 0.000 2.149 95 D HA -0.171 4.469 4.640 -0.000 0.000 0.198 95 D C 2.138 178.444 176.300 0.010 0.000 0.990 95 D CA 1.423 55.423 54.000 0.000 0.000 0.839 95 D CB -0.087 40.712 40.800 -0.001 0.000 0.948 95 D HN 0.444 nan 8.370 nan 0.000 0.460 96 A N 0.779 123.611 122.820 0.020 0.000 1.930 96 A HA -0.170 4.150 4.320 -0.000 0.000 0.217 96 A C 2.163 179.775 177.584 0.046 0.000 1.175 96 A CA 1.231 53.289 52.037 0.034 0.000 0.627 96 A CB -0.343 18.682 19.000 0.041 0.000 0.815 96 A HN 0.130 nan 8.150 nan 0.000 0.443 97 R N -0.838 119.689 120.500 0.044 0.000 2.066 97 R HA -0.089 4.251 4.340 -0.000 0.000 0.232 97 R C 2.372 178.683 176.300 0.019 0.000 1.131 97 R CA 1.244 57.374 56.100 0.050 0.000 0.955 97 R CB -0.334 29.997 30.300 0.052 0.000 0.851 97 R HN 0.478 nan 8.270 nan 0.000 0.432 98 Q N 0.560 120.361 119.800 0.002 0.000 2.112 98 Q HA -0.161 4.179 4.340 -0.000 0.000 0.206 98 Q C 2.176 178.163 176.000 -0.022 0.000 0.987 98 Q CA 2.000 57.791 55.803 -0.019 0.000 0.858 98 Q CB -0.387 28.336 28.738 -0.025 0.000 0.905 98 Q HN 0.384 nan 8.270 nan 0.000 0.420 99 A N 0.365 123.182 122.820 -0.005 0.000 1.898 99 A HA -0.132 4.188 4.320 -0.000 0.000 0.216 99 A C 2.208 179.790 177.584 -0.003 0.000 1.181 99 A CA 1.358 53.395 52.037 -0.001 0.000 0.620 99 A CB -0.456 18.553 19.000 0.016 0.000 0.819 99 A HN 0.292 nan 8.150 nan 0.000 0.442 100 M N -1.331 118.277 119.600 0.013 0.000 2.067 100 M HA -0.138 4.342 4.480 -0.000 0.000 0.260 100 M C 2.087 178.295 176.300 -0.154 0.000 1.069 100 M CA 1.368 56.663 55.300 -0.008 0.000 1.117 100 M CB -0.363 32.299 32.600 0.103 0.000 1.334 100 M HN 0.379 nan 8.290 nan 0.000 0.407 101 L N 0.275 121.436 121.223 -0.103 0.000 2.046 101 L HA -0.122 4.218 4.340 -0.000 0.000 0.208 101 L C 2.656 179.471 176.870 -0.092 0.000 1.077 101 L CA 2.039 56.814 54.840 -0.108 0.000 0.747 101 L CB -1.142 40.882 42.059 -0.059 0.000 0.896 101 L HN 0.266 nan 8.230 nan 0.000 0.432 102 A N -1.562 121.216 122.820 -0.071 0.000 1.978 102 A HA -0.227 4.093 4.320 -0.000 0.000 0.220 102 A C 2.192 179.740 177.584 -0.060 0.000 1.170 102 A CA 2.047 54.047 52.037 -0.062 0.000 0.636 102 A CB -0.327 18.646 19.000 -0.045 0.000 0.810 102 A HN 0.381 nan 8.150 nan 0.000 0.448 103 M N -2.074 117.483 119.600 -0.071 0.000 2.556 103 M HA 0.063 4.542 4.480 -0.000 0.000 0.259 103 M C 2.068 178.313 176.300 -0.091 0.000 1.175 103 M CA 1.392 56.655 55.300 -0.062 0.000 1.202 103 M CB -1.126 31.454 32.600 -0.033 0.000 1.298 103 M HN 0.453 nan 8.290 nan 0.000 0.492 104 E N 0.984 121.063 120.200 -0.202 0.000 2.058 104 E HA -0.113 4.237 4.350 -0.000 0.000 0.194 104 E C 1.964 178.499 176.600 -0.108 0.000 0.997 104 E CA 1.497 57.742 56.400 -0.258 0.000 0.801 104 E CB -0.432 28.840 29.700 -0.713 0.000 0.746 104 E HN 0.185 nan 8.360 nan 0.000 0.450 105 V N 1.159 121.031 119.914 -0.070 0.000 2.252 105 V HA -0.223 3.897 4.120 -0.000 0.000 0.249 105 V C -0.654 175.518 176.094 0.130 0.000 1.056 105 V CA 2.521 64.860 62.300 0.066 0.000 1.022 105 V CB -1.584 30.313 31.823 0.123 0.000 0.641 105 V HN 0.284 nan 8.190 nan 0.000 0.445 106 P HA -0.138 nan 4.420 nan 0.000 0.216 106 P C 1.833 179.160 177.300 0.044 0.000 1.153 106 P CA 1.326 64.436 63.100 0.017 0.000 0.848 106 P CB -0.145 31.518 31.700 -0.063 0.000 0.787 107 R N -0.301 120.212 120.500 0.022 0.000 2.091 107 R HA -0.128 4.212 4.340 -0.000 0.000 0.238 107 R C 2.205 178.533 176.300 0.048 0.000 1.136 107 R CA 1.414 57.531 56.100 0.027 0.000 0.959 107 R CB -1.016 29.295 30.300 0.019 0.000 0.856 107 R HN 0.211 nan 8.270 nan 0.000 0.437 108 L N -0.167 121.092 121.223 0.060 0.000 2.056 108 L HA -0.137 4.203 4.340 -0.000 0.000 0.207 108 L C 2.687 179.604 176.870 0.079 0.000 1.078 108 L CA 1.239 56.121 54.840 0.069 0.000 0.749 108 L CB -0.496 41.608 42.059 0.075 0.000 0.901 108 L HN 0.262 nan 8.230 nan 0.000 0.433 109 A N 0.531 123.430 122.820 0.131 0.000 1.873 109 A HA -0.322 3.998 4.320 -0.000 0.000 0.218 109 A C 2.258 179.898 177.584 0.094 0.000 1.193 109 A CA 2.396 54.532 52.037 0.166 0.000 0.629 109 A CB -0.565 18.688 19.000 0.421 0.000 0.826 109 A HN 0.324 nan 8.150 nan 0.000 0.447 110 K N 0.438 120.883 120.400 0.074 0.000 2.063 110 K HA -0.206 4.114 4.320 -0.000 0.000 0.208 110 K C 1.894 178.509 176.600 0.026 0.000 1.048 110 K CA 2.316 58.625 56.287 0.038 0.000 0.928 110 K CB -0.430 32.083 32.500 0.022 0.000 0.713 110 K HN 0.623 nan 8.250 nan 0.000 0.442 111 E N -0.832 119.385 120.200 0.028 0.000 2.072 111 E HA -0.125 4.225 4.350 -0.000 0.000 0.191 111 E C 1.717 178.318 176.600 0.001 0.000 0.985 111 E CA 1.058 57.469 56.400 0.017 0.000 0.801 111 E CB -0.214 29.500 29.700 0.023 0.000 0.750 111 E HN 0.423 nan 8.360 nan 0.000 0.452 112 A N 1.082 123.899 122.820 -0.005 0.000 1.872 112 A HA 0.050 4.370 4.320 -0.000 0.000 0.214 112 A C 2.401 179.960 177.584 -0.042 0.000 1.187 112 A CA 1.397 53.409 52.037 -0.041 0.000 0.614 112 A CB -0.740 18.223 19.000 -0.062 0.000 0.826 112 A HN 0.388 nan 8.150 nan 0.000 0.442 113 A N -0.089 122.718 122.820 -0.022 0.000 1.940 113 A HA -0.176 4.144 4.320 -0.000 0.000 0.219 113 A C 1.887 179.470 177.584 -0.001 0.000 1.176 113 A CA 1.759 53.783 52.037 -0.022 0.000 0.631 113 A CB -0.463 18.534 19.000 -0.004 0.000 0.814 113 A HN 0.475 nan 8.150 nan 0.000 0.446 114 E N 0.339 120.544 120.200 0.009 0.000 2.085 114 E HA -0.199 4.151 4.350 -0.000 0.000 0.194 114 E C 1.892 178.505 176.600 0.021 0.000 0.994 114 E CA 1.437 57.850 56.400 0.022 0.000 0.801 114 E CB -0.344 29.366 29.700 0.017 0.000 0.743 114 E HN 0.687 nan 8.360 nan 0.000 0.453 115 K N 0.400 120.801 120.400 0.000 0.000 2.147 115 K HA -0.041 4.279 4.320 -0.000 0.000 0.205 115 K C 2.084 178.685 176.600 0.002 0.000 1.049 115 K CA 1.054 57.337 56.287 -0.007 0.000 0.936 115 K CB -0.032 32.447 32.500 -0.035 0.000 0.722 115 K HN 0.044 nan 8.250 nan 0.000 0.446 116 A N 1.293 124.110 122.820 -0.005 0.000 1.898 116 A HA -0.069 4.251 4.320 -0.000 0.000 0.214 116 A C 1.983 179.624 177.584 0.094 0.000 1.183 116 A CA 0.776 52.815 52.037 0.003 0.000 0.622 116 A CB -0.232 18.732 19.000 -0.060 0.000 0.824 116 A HN 0.053 nan 8.150 nan 0.000 0.444 117 I N 0.284 120.922 120.570 0.114 0.000 2.286 117 I HA -0.263 3.907 4.170 -0.000 0.000 0.248 117 I C 2.583 178.828 176.117 0.213 0.000 1.115 117 I CA 1.864 63.310 61.300 0.243 0.000 1.392 117 I CB -1.481 36.628 38.000 0.181 0.000 1.065 117 I HN 0.568 nan 8.210 nan 0.000 0.418 118 Q N 0.914 120.780 119.800 0.110 0.000 2.016 118 Q HA -0.235 4.105 4.340 -0.000 0.000 0.200 118 Q C 2.283 178.325 176.000 0.071 0.000 0.978 118 Q CA 1.748 57.590 55.803 0.065 0.000 0.833 118 Q CB -0.048 28.711 28.738 0.034 0.000 0.895 118 Q HN 0.487 nan 8.270 nan 0.000 0.427 119 E N -0.412 119.837 120.200 0.082 0.000 2.070 119 E HA -0.243 4.107 4.350 -0.000 0.000 0.197 119 E C 1.626 178.309 176.600 0.138 0.000 1.004 119 E CA 1.463 57.910 56.400 0.078 0.000 0.805 119 E CB -0.372 29.365 29.700 0.062 0.000 0.744 119 E HN 0.520 nan 8.360 nan 0.000 0.451 120 W N 0.491 121.775 121.300 -0.027 0.000 2.302 120 W HA -0.225 4.435 4.660 -0.000 0.000 0.320 120 W C 1.679 178.186 176.519 -0.020 0.000 1.241 120 W CA 3.025 60.356 57.345 -0.024 0.000 1.264 120 W CB -0.751 28.696 29.460 -0.022 0.000 1.154 120 W HN 0.402 nan 8.180 nan 0.000 0.483 121 G N -1.248 107.503 108.800 -0.081 0.000 2.225 121 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.254 121 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.254 121 G C 0.539 175.155 174.900 -0.473 0.000 0.988 121 G CA 0.446 45.405 45.100 -0.235 0.000 0.625 121 G HN 0.411 nan 8.290 nan 0.000 0.527 122 Q N 0.458 119.641 119.800 -1.028 0.000 2.249 122 Q HA 0.594 4.934 4.340 -0.000 0.000 0.226 122 Q C 0.503 176.112 176.000 -0.652 0.000 0.983 122 Q CA -0.006 55.105 55.803 -1.154 0.000 0.930 122 Q CB 1.282 28.702 28.738 -2.197 0.000 1.193 122 Q HN 0.290 nan 8.270 nan 0.000 0.508 123 S N 0.248 115.724 115.700 -0.373 0.000 2.531 123 S HA 0.031 4.501 4.470 -0.000 0.000 0.279 123 S C 0.897 175.548 174.600 0.086 0.000 1.305 123 S CA -0.188 57.951 58.200 -0.103 0.000 1.058 123 S CB 0.316 63.480 63.200 -0.061 0.000 0.899 123 S HN 0.424 nan 8.310 nan 0.000 0.493 124 K N 2.562 123.055 120.400 0.155 0.000 2.218 124 K HA -0.125 4.195 4.320 -0.000 0.000 0.205 124 K C 2.114 178.835 176.600 0.202 0.000 1.046 124 K CA 1.685 58.112 56.287 0.233 0.000 0.933 124 K CB -0.323 32.257 32.500 0.133 0.000 0.728 124 K HN 0.776 nan 8.250 nan 0.000 0.454 125 S N 0.312 116.098 115.700 0.145 0.000 2.507 125 S HA -0.067 4.403 4.470 -0.000 0.000 0.235 125 S C 2.006 176.685 174.600 0.130 0.000 0.988 125 S CA 0.828 59.109 58.200 0.135 0.000 0.944 125 S CB -0.310 62.958 63.200 0.113 0.000 0.762 125 S HN 0.427 nan 8.310 nan 0.000 0.526 126 G N 0.965 109.886 108.800 0.202 0.000 2.813 126 G HA2 0.250 4.210 3.960 -0.000 0.000 0.209 126 G HA3 0.250 4.210 3.960 -0.000 0.000 0.209 126 G C 0.431 175.479 174.900 0.247 0.000 1.150 126 G CA -0.363 44.883 45.100 0.245 0.000 0.785 126 G HN 0.543 nan 8.290 nan 0.000 0.535 127 I N 2.329 123.019 120.570 0.199 0.000 2.517 127 I HA 0.062 4.232 4.170 -0.000 0.000 0.285 127 I C 1.859 178.001 176.117 0.041 0.000 1.106 127 I CA 0.046 61.380 61.300 0.056 0.000 1.402 127 I CB 1.464 39.474 38.000 0.017 0.000 1.399 127 I HN 0.111 nan 8.210 nan 0.000 0.535 128 T N 1.537 116.122 114.554 0.052 0.000 3.033 128 T HA 0.114 4.464 4.350 -0.000 0.000 0.248 128 T C 0.545 175.191 174.700 -0.089 0.000 1.040 128 T CA 0.340 62.449 62.100 0.014 0.000 1.133 128 T CB -0.005 68.938 68.868 0.124 0.000 0.895 128 T HN 0.495 nan 8.240 nan 0.000 0.465 129 H N -0.332 118.711 119.070 -0.044 0.000 2.731 129 H HA 0.778 5.334 4.556 -0.000 0.000 0.368 129 H C -1.173 174.126 175.328 -0.049 0.000 1.168 129 H CA -1.150 54.875 56.048 -0.040 0.000 1.181 129 H CB 1.864 31.597 29.762 -0.047 0.000 1.743 129 H HN 0.130 nan 8.280 nan 0.000 0.547 130 L N 2.805 124.082 121.223 0.092 0.000 2.406 130 L HA 0.506 4.846 4.340 -0.000 0.000 0.272 130 L C -1.365 175.532 176.870 0.045 0.000 0.980 130 L CA -0.545 54.322 54.840 0.046 0.000 0.831 130 L CB 0.958 43.041 42.059 0.040 0.000 1.253 130 L HN 0.587 nan 8.230 nan 0.000 0.406 131 I N 4.891 125.464 120.570 0.006 0.000 2.382 131 I HA 0.282 4.452 4.170 -0.000 0.000 0.285 131 I C -1.078 175.018 176.117 -0.035 0.000 1.007 131 I CA -0.388 60.891 61.300 -0.035 0.000 1.142 131 I CB 1.682 39.625 38.000 -0.094 0.000 1.289 131 I HN 0.411 nan 8.210 nan 0.000 0.453 132 F N 7.485 127.345 119.950 -0.151 0.000 2.458 132 F HA 0.596 5.123 4.527 -0.000 0.000 0.336 132 F C -0.423 175.219 175.800 -0.263 0.000 1.114 132 F CA -0.587 57.329 58.000 -0.140 0.000 0.987 132 F CB 1.167 40.141 39.000 -0.044 0.000 1.130 132 F HN 0.463 nan 8.300 nan 0.000 0.458 133 C N 5.615 124.393 119.300 -0.870 0.000 2.441 133 C HA 0.863 5.323 4.460 -0.000 0.000 0.318 133 C C -0.925 173.761 174.990 -0.506 0.000 1.222 133 C CA -0.097 58.575 59.018 -0.577 0.000 1.474 133 C CB 0.434 27.935 27.740 -0.399 0.000 2.125 133 C HN 0.921 nan 8.230 nan 0.000 0.479 134 S N 2.817 118.470 115.700 -0.078 0.000 2.550 134 S HA 0.434 4.904 4.470 -0.000 0.000 0.270 134 S C 0.790 175.489 174.600 0.164 0.000 1.145 134 S CA -0.002 58.256 58.200 0.097 0.000 0.852 134 S CB 1.786 65.203 63.200 0.361 0.000 1.119 134 S HN 0.834 nan 8.310 nan 0.000 0.465 135 T N 2.162 116.753 114.554 0.062 0.000 2.699 135 T HA 0.017 4.367 4.350 -0.000 0.000 0.268 135 T C 0.874 175.635 174.700 0.101 0.000 1.036 135 T CA 2.076 64.193 62.100 0.029 0.000 1.147 135 T CB -0.448 68.389 68.868 -0.051 0.000 0.862 135 T HN 0.976 nan 8.240 nan 0.000 0.446 136 T N -1.921 112.698 114.554 0.109 0.000 2.843 136 T HA 0.563 4.913 4.350 -0.000 0.000 0.302 136 T C -1.082 173.589 174.700 -0.048 0.000 1.232 136 T CA -0.849 61.279 62.100 0.047 0.000 1.009 136 T CB 2.400 71.263 68.868 -0.008 0.000 1.254 136 T HN -0.098 nan 8.240 nan 0.000 0.504 137 T N 2.022 116.406 114.554 -0.285 0.000 2.879 137 T HA 0.569 4.919 4.350 -0.000 0.000 0.290 137 T C -1.630 172.899 174.700 -0.284 0.000 0.993 137 T CA -1.668 60.175 62.100 -0.427 0.000 0.975 137 T CB 1.561 69.755 68.868 -1.124 0.000 0.981 137 T HN 0.573 nan 8.240 nan 0.000 0.439 138 P HA 0.061 nan 4.420 nan 0.000 0.217 138 P C -0.204 177.020 177.300 -0.127 0.000 1.150 138 P CA 1.143 64.168 63.100 -0.127 0.000 0.832 138 P CB 0.423 32.068 31.700 -0.090 0.000 0.787 139 D N -0.916 119.395 120.400 -0.150 0.000 2.784 139 D HA 0.570 5.210 4.640 -0.000 0.000 0.256 139 D C -0.486 175.729 176.300 -0.141 0.000 1.129 139 D CA -0.449 53.476 54.000 -0.125 0.000 1.102 139 D CB 0.466 41.206 40.800 -0.099 0.000 1.330 139 D HN -0.132 nan 8.370 nan 0.000 0.626 140 L N 1.250 122.405 121.223 -0.114 0.000 2.439 140 L HA 0.377 4.717 4.340 -0.000 0.000 0.270 140 L C -2.162 174.625 176.870 -0.139 0.000 0.972 140 L CA -1.251 53.525 54.840 -0.107 0.000 0.836 140 L CB 1.494 43.504 42.059 -0.081 0.000 1.255 140 L HN 0.225 nan 8.230 nan 0.000 0.404 141 P HA 0.204 nan 4.420 nan 0.000 0.269 141 P C 0.108 177.366 177.300 -0.071 0.000 1.217 141 P CA -0.301 62.718 63.100 -0.136 0.000 0.783 141 P CB 0.770 32.299 31.700 -0.285 0.000 0.898 142 G N -0.286 108.510 108.800 -0.006 0.000 2.621 142 G HA2 0.342 4.302 3.960 -0.000 0.000 0.271 142 G HA3 0.342 4.302 3.960 -0.000 0.000 0.271 142 G C 1.087 175.959 174.900 -0.045 0.000 1.236 142 G CA -0.119 44.925 45.100 -0.094 0.000 0.958 142 G HN 0.586 nan 8.290 nan 0.000 0.512 143 A N -0.310 122.416 122.820 -0.157 0.000 2.131 143 A HA -0.095 4.225 4.320 -0.000 0.000 0.220 143 A C 2.006 179.166 177.584 -0.707 0.000 1.158 143 A CA 2.125 53.911 52.037 -0.419 0.000 0.665 143 A CB -0.486 18.196 19.000 -0.530 0.000 0.795 143 A HN 0.749 nan 8.150 nan 0.000 0.460 144 D N -0.735 119.481 120.400 -0.307 0.000 2.117 144 D HA -0.225 4.415 4.640 -0.000 0.000 0.197 144 D C 1.791 178.044 176.300 -0.079 0.000 0.987 144 D CA 1.361 55.249 54.000 -0.186 0.000 0.829 144 D CB -0.742 40.143 40.800 0.141 0.000 0.961 144 D HN 0.473 nan 8.370 nan 0.000 0.460 145 F N 2.259 122.148 119.950 -0.101 0.000 2.102 145 F HA -0.157 4.370 4.527 -0.000 0.000 0.298 145 F C 2.266 178.007 175.800 -0.099 0.000 1.105 145 F CA 1.518 59.474 58.000 -0.072 0.000 1.239 145 F CB -0.033 38.937 39.000 -0.050 0.000 0.991 145 F HN -0.240 nan 8.300 nan 0.000 0.474 146 E N 0.197 120.392 120.200 -0.009 0.000 2.204 146 E HA -0.151 4.199 4.350 -0.000 0.000 0.195 146 E C 2.519 178.999 176.600 -0.199 0.000 0.990 146 E CA 1.266 57.607 56.400 -0.098 0.000 0.821 146 E CB -0.845 28.830 29.700 -0.042 0.000 0.750 146 E HN 0.391 nan 8.360 nan 0.000 0.477 147 V N 1.322 121.093 119.914 -0.239 0.000 2.379 147 V HA -0.140 3.980 4.120 -0.000 0.000 0.245 147 V C 2.353 178.364 176.094 -0.137 0.000 1.044 147 V CA 1.568 63.770 62.300 -0.163 0.000 1.036 147 V CB -0.635 31.109 31.823 -0.132 0.000 0.664 147 V HN 0.241 nan 8.190 nan 0.000 0.453 148 A N -0.617 122.088 122.820 -0.191 0.000 2.015 148 A HA -0.150 4.170 4.320 -0.000 0.000 0.219 148 A C 2.300 179.748 177.584 -0.226 0.000 1.163 148 A CA 1.464 53.395 52.037 -0.176 0.000 0.646 148 A CB -0.343 18.545 19.000 -0.187 0.000 0.806 148 A HN 0.340 nan 8.150 nan 0.000 0.448 149 K N -0.293 119.908 120.400 -0.332 0.000 2.031 149 K HA -0.041 4.279 4.320 -0.000 0.000 0.205 149 K C 1.736 178.243 176.600 -0.156 0.000 1.049 149 K CA 1.057 57.163 56.287 -0.301 0.000 0.939 149 K CB -0.490 31.782 32.500 -0.380 0.000 0.717 149 K HN 0.341 nan 8.250 nan 0.000 0.438 150 L N 1.337 122.485 121.223 -0.124 0.000 2.083 150 L HA -0.077 4.263 4.340 -0.000 0.000 0.209 150 L C 2.255 179.096 176.870 -0.048 0.000 1.083 150 L CA 1.314 56.113 54.840 -0.068 0.000 0.752 150 L CB -0.715 41.314 42.059 -0.050 0.000 0.899 150 L HN 0.136 nan 8.230 nan 0.000 0.433 151 L N -1.029 120.164 121.223 -0.051 0.000 2.478 151 L HA 0.116 4.456 4.340 -0.000 0.000 0.223 151 L C 1.360 178.215 176.870 -0.026 0.000 1.140 151 L CA 0.590 55.414 54.840 -0.025 0.000 0.842 151 L CB -0.639 41.412 42.059 -0.015 0.000 0.953 151 L HN 0.506 nan 8.230 nan 0.000 0.452 152 G N 0.724 109.493 108.800 -0.052 0.000 2.198 152 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.257 152 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.257 152 G C -0.066 174.812 174.900 -0.036 0.000 1.042 152 G CA -0.298 44.773 45.100 -0.049 0.000 0.791 152 G HN 0.081 nan 8.290 nan 0.000 0.502 153 L N -0.079 121.119 121.223 -0.041 0.000 2.464 153 L HA 0.429 4.769 4.340 -0.000 0.000 0.264 153 L C 1.271 178.143 176.870 0.004 0.000 1.199 153 L CA -0.807 54.032 54.840 -0.000 0.000 0.818 153 L CB 0.344 42.400 42.059 -0.006 0.000 1.102 153 L HN 0.427 nan 8.230 nan 0.000 0.473 154 H N 4.216 123.273 119.070 -0.022 0.000 3.038 154 H HA 0.006 4.562 4.556 -0.000 0.000 0.338 154 H C -1.449 173.860 175.328 -0.032 0.000 1.041 154 H CA -0.363 55.674 56.048 -0.019 0.000 1.394 154 H CB 0.767 30.525 29.762 -0.005 0.000 1.357 154 H HN 0.401 nan 8.280 nan 0.000 0.600 155 P HA -0.063 nan 4.420 nan 0.000 0.234 155 P C 0.288 177.670 177.300 0.137 0.000 1.167 155 P CA 0.767 63.847 63.100 -0.034 0.000 0.763 155 P CB 0.522 32.154 31.700 -0.114 0.000 0.835 156 S N -0.584 115.365 115.700 0.415 0.000 2.572 156 S HA 0.124 4.594 4.470 -0.000 0.000 0.228 156 S C 0.655 175.285 174.600 0.051 0.000 0.963 156 S CA -0.333 57.991 58.200 0.207 0.000 0.939 156 S CB -0.134 63.164 63.200 0.164 0.000 0.804 156 S HN -0.074 nan 8.310 nan 0.000 0.480 157 V N 3.594 123.541 119.914 0.056 0.000 2.485 157 V HA 0.051 4.171 4.120 -0.000 0.000 0.287 157 V C 0.388 176.436 176.094 -0.076 0.000 1.022 157 V CA 0.079 62.357 62.300 -0.036 0.000 1.067 157 V CB 0.288 32.110 31.823 -0.001 0.000 0.967 157 V HN 0.305 nan 8.190 nan 0.000 0.479 158 K N 6.874 127.147 120.400 -0.211 0.000 2.378 158 K HA 0.293 4.613 4.320 -0.000 0.000 0.288 158 K C 0.044 176.613 176.600 -0.052 0.000 1.057 158 K CA -0.007 56.174 56.287 -0.177 0.000 0.971 158 K CB 0.523 32.794 32.500 -0.381 0.000 0.975 158 K HN 0.584 nan 8.250 nan 0.000 0.475 159 R N 1.418 121.926 120.500 0.013 0.000 2.643 159 R HA 0.626 4.966 4.340 -0.000 0.000 0.272 159 R C -0.699 175.637 176.300 0.059 0.000 0.995 159 R CA -1.050 55.080 56.100 0.050 0.000 1.032 159 R CB 1.555 31.898 30.300 0.072 0.000 1.126 159 R HN 0.198 nan 8.270 nan 0.000 0.505 160 V N 0.367 120.311 119.914 0.051 0.000 2.752 160 V HA 0.387 4.507 4.120 -0.000 0.000 0.302 160 V C -0.440 175.632 176.094 -0.037 0.000 1.133 160 V CA -0.918 61.393 62.300 0.018 0.000 0.919 160 V CB 2.204 34.024 31.823 -0.005 0.000 1.026 160 V HN 0.984 nan 8.190 nan 0.000 0.429 161 G N 2.303 111.052 108.800 -0.085 0.000 2.384 161 G HA2 0.532 4.492 3.960 -0.000 0.000 0.316 161 G HA3 0.532 4.492 3.960 -0.000 0.000 0.316 161 G C -0.741 173.692 174.900 -0.779 0.000 1.160 161 G CA -0.505 44.314 45.100 -0.468 0.000 0.936 161 G HN 0.815 nan 8.290 nan 0.000 0.455 162 V N 4.612 124.037 119.914 -0.815 0.000 2.320 162 V HA 0.697 4.817 4.120 -0.000 0.000 0.265 162 V C -1.130 174.639 176.094 -0.542 0.000 1.048 162 V CA -0.827 61.139 62.300 -0.556 0.000 0.865 162 V CB -0.589 30.913 31.823 -0.534 0.000 1.043 162 V HN 0.393 nan 8.190 nan 0.000 0.474 163 F N 3.663 123.726 119.950 0.188 0.000 2.507 163 F HA 0.569 5.096 4.527 -0.000 0.000 0.327 163 F C 0.965 176.864 175.800 0.165 0.000 1.068 163 F CA -0.910 57.181 58.000 0.152 0.000 0.965 163 F CB 1.708 40.776 39.000 0.113 0.000 1.192 163 F HN 0.548 nan 8.300 nan 0.000 0.476 164 Q N -0.089 119.878 119.800 0.278 0.000 2.435 164 Q HA -0.295 4.045 4.340 -0.000 0.000 0.286 164 Q C 0.313 176.329 176.000 0.026 0.000 1.229 164 Q CA 0.801 56.673 55.803 0.115 0.000 0.884 164 Q CB -1.500 27.291 28.738 0.089 0.000 1.245 164 Q HN 0.786 nan 8.270 nan 0.000 0.488 165 H N -1.127 117.875 119.070 -0.113 0.000 2.370 165 H HA 0.279 4.835 4.556 -0.000 0.000 0.304 165 H C 1.428 176.428 175.328 -0.547 0.000 1.055 165 H CA 1.721 57.613 56.048 -0.260 0.000 1.373 165 H CB 0.537 30.057 29.762 -0.403 0.000 1.423 165 H HN 0.567 nan 8.280 nan 0.000 0.533 166 G N -1.656 106.891 108.800 -0.423 0.000 2.298 166 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.309 166 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.309 166 G C 0.396 175.035 174.900 -0.435 0.000 1.279 166 G CA -0.301 44.575 45.100 -0.372 0.000 1.042 166 G HN 0.265 nan 8.290 nan 0.000 0.480 167 C N 0.826 119.982 119.300 -0.239 0.000 2.511 167 C HA 0.219 4.679 4.460 -0.000 0.000 0.277 167 C C 2.156 176.915 174.990 -0.386 0.000 1.451 167 C CA 1.398 60.244 59.018 -0.287 0.000 1.735 167 C CB -2.369 25.279 27.740 -0.153 0.000 1.704 167 C HN 0.559 nan 8.230 nan 0.000 0.571 168 F N 0.056 119.921 119.950 -0.142 0.000 2.749 168 F HA 0.489 5.016 4.527 -0.000 0.000 0.300 168 F C 1.913 177.648 175.800 -0.109 0.000 1.103 168 F CA 0.199 58.124 58.000 -0.125 0.000 1.342 168 F CB -1.070 37.927 39.000 -0.005 0.000 1.098 168 F HN -0.016 nan 8.300 nan 0.000 0.586 169 A N 1.737 124.289 122.820 -0.446 0.000 1.986 169 A HA -0.024 4.296 4.320 -0.000 0.000 0.220 169 A C 2.496 179.997 177.584 -0.139 0.000 1.171 169 A CA 1.713 53.567 52.037 -0.305 0.000 0.640 169 A CB -1.710 17.061 19.000 -0.382 0.000 0.811 169 A HN 0.531 nan 8.150 nan 0.000 0.451 170 G N -0.731 107.984 108.800 -0.141 0.000 2.475 170 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.220 170 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.220 170 G C 1.406 176.250 174.900 -0.094 0.000 1.125 170 G CA 1.380 46.401 45.100 -0.131 0.000 0.755 170 G HN 0.721 nan 8.290 nan 0.000 0.565 171 G N -0.346 108.417 108.800 -0.062 0.000 2.437 171 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.212 171 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.212 171 G C 1.862 176.750 174.900 -0.019 0.000 1.174 171 G CA 1.613 46.687 45.100 -0.044 0.000 0.811 171 G HN 0.501 nan 8.290 nan 0.000 0.537 172 T N -0.180 114.399 114.554 0.042 0.000 2.929 172 T HA -0.090 4.260 4.350 -0.000 0.000 0.271 172 T C 2.257 176.911 174.700 -0.077 0.000 1.085 172 T CA 1.661 63.764 62.100 0.004 0.000 1.125 172 T CB -0.210 68.709 68.868 0.085 0.000 0.874 172 T HN -0.021 nan 8.240 nan 0.000 0.494 173 V N 0.769 120.633 119.914 -0.084 0.000 2.427 173 V HA 0.037 4.157 4.120 -0.000 0.000 0.248 173 V C 2.639 178.684 176.094 -0.081 0.000 1.051 173 V CA 1.538 63.777 62.300 -0.101 0.000 1.048 173 V CB -0.393 31.383 31.823 -0.080 0.000 0.666 173 V HN 0.547 nan 8.190 nan 0.000 0.456 174 L N -0.600 120.595 121.223 -0.047 0.000 2.156 174 L HA -0.118 4.222 4.340 -0.000 0.000 0.208 174 L C 2.624 179.439 176.870 -0.092 0.000 1.095 174 L CA 1.486 56.291 54.840 -0.058 0.000 0.770 174 L CB -0.540 41.495 42.059 -0.040 0.000 0.914 174 L HN 0.264 nan 8.230 nan 0.000 0.439 175 R N 0.287 120.726 120.500 -0.103 0.000 2.092 175 R HA -0.127 4.213 4.340 -0.000 0.000 0.231 175 R C 2.259 178.491 176.300 -0.113 0.000 1.119 175 R CA 1.334 57.359 56.100 -0.124 0.000 0.970 175 R CB -0.032 30.190 30.300 -0.131 0.000 0.864 175 R HN 0.267 nan 8.270 nan 0.000 0.440 176 M N -0.417 119.121 119.600 -0.105 0.000 2.193 176 M HA 0.037 4.517 4.480 -0.000 0.000 0.265 176 M C 2.458 178.693 176.300 -0.109 0.000 1.071 176 M CA 1.410 56.650 55.300 -0.100 0.000 1.140 176 M CB -0.116 32.424 32.600 -0.099 0.000 1.369 176 M HN 0.252 nan 8.290 nan 0.000 0.423 177 A N 0.986 123.738 122.820 -0.114 0.000 1.917 177 A HA -0.258 4.062 4.320 -0.000 0.000 0.219 177 A C 2.167 179.679 177.584 -0.120 0.000 1.182 177 A CA 2.289 54.251 52.037 -0.125 0.000 0.633 177 A CB -0.817 18.111 19.000 -0.121 0.000 0.819 177 A HN 0.491 nan 8.150 nan 0.000 0.448 178 K N -0.751 119.590 120.400 -0.100 0.000 2.057 178 K HA -0.222 4.098 4.320 -0.000 0.000 0.207 178 K C 1.338 177.894 176.600 -0.073 0.000 1.049 178 K CA 1.844 58.085 56.287 -0.076 0.000 0.931 178 K CB -0.240 32.215 32.500 -0.075 0.000 0.714 178 K HN 0.414 nan 8.250 nan 0.000 0.440 179 D N 0.933 121.280 120.400 -0.088 0.000 2.091 179 D HA -0.123 4.517 4.640 -0.000 0.000 0.199 179 D C 2.095 178.328 176.300 -0.112 0.000 0.980 179 D CA 0.953 54.904 54.000 -0.082 0.000 0.831 179 D CB -0.270 40.484 40.800 -0.077 0.000 0.987 179 D HN 0.200 nan 8.370 nan 0.000 0.460 180 L N 0.825 121.953 121.223 -0.158 0.000 2.013 180 L HA -0.236 4.104 4.340 -0.000 0.000 0.212 180 L C 2.532 179.221 176.870 -0.302 0.000 1.073 180 L CA 1.540 56.212 54.840 -0.279 0.000 0.753 180 L CB -0.555 41.261 42.059 -0.405 0.000 0.890 180 L HN 0.004 nan 8.230 nan 0.000 0.432 181 A N -0.548 122.136 122.820 -0.228 0.000 1.930 181 A HA -0.196 4.124 4.320 -0.000 0.000 0.217 181 A C 2.161 179.690 177.584 -0.091 0.000 1.175 181 A CA 1.599 53.540 52.037 -0.160 0.000 0.627 181 A CB -0.351 18.578 19.000 -0.117 0.000 0.815 181 A HN 0.449 nan 8.150 nan 0.000 0.443 182 E N -0.864 119.297 120.200 -0.065 0.000 2.112 182 E HA -0.107 4.243 4.350 -0.000 0.000 0.190 182 E C 1.434 178.006 176.600 -0.047 0.000 0.979 182 E CA 0.849 57.230 56.400 -0.032 0.000 0.814 182 E CB -0.070 29.636 29.700 0.009 0.000 0.762 182 E HN 0.596 nan 8.360 nan 0.000 0.460 183 N N 0.560 119.223 118.700 -0.063 0.000 2.461 183 N HA -0.009 4.731 4.740 -0.000 0.000 0.188 183 N C -0.852 174.618 175.510 -0.067 0.000 1.134 183 N CA 0.245 53.258 53.050 -0.061 0.000 0.878 183 N CB 0.386 38.841 38.487 -0.054 0.000 0.972 183 N HN -0.022 nan 8.380 nan 0.000 0.456 184 N N 0.848 119.505 118.700 -0.072 0.000 2.617 184 N HA 0.074 4.814 4.740 -0.000 0.000 0.263 184 N C -1.172 174.316 175.510 -0.037 0.000 1.074 184 N CA -0.419 52.602 53.050 -0.048 0.000 0.841 184 N CB 1.588 40.062 38.487 -0.021 0.000 1.221 184 N HN 0.176 nan 8.380 nan 0.000 0.529 185 R N 0.586 121.063 120.500 -0.040 0.000 2.537 185 R HA 0.040 4.380 4.340 -0.000 0.000 0.281 185 R C 1.122 177.421 176.300 -0.001 0.000 0.988 185 R CA 1.601 57.685 56.100 -0.025 0.000 1.077 185 R CB 0.031 30.311 30.300 -0.034 0.000 0.932 185 R HN 0.805 nan 8.270 nan 0.000 0.409 186 G N 2.066 110.871 108.800 0.008 0.000 2.189 186 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.267 186 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.267 186 G C 0.151 175.078 174.900 0.045 0.000 0.975 186 G CA 0.349 45.467 45.100 0.031 0.000 0.644 186 G HN 0.944 nan 8.290 nan 0.000 0.537 187 A N 0.025 122.862 122.820 0.028 0.000 2.425 187 A HA 0.701 5.021 4.320 -0.000 0.000 0.249 187 A C 0.651 178.239 177.584 0.008 0.000 1.084 187 A CA 0.126 52.189 52.037 0.044 0.000 0.781 187 A CB 0.407 19.411 19.000 0.006 0.000 1.019 187 A HN 0.331 nan 8.150 nan 0.000 0.490 188 R N 1.575 122.087 120.500 0.021 0.000 2.439 188 R HA 0.480 4.820 4.340 -0.000 0.000 0.310 188 R C -1.547 174.690 176.300 -0.105 0.000 0.955 188 R CA -0.545 55.501 56.100 -0.090 0.000 0.853 188 R CB 1.609 31.839 30.300 -0.117 0.000 1.171 188 R HN 0.452 nan 8.270 nan 0.000 0.449 189 V N 4.600 124.412 119.914 -0.169 0.000 2.384 189 V HA 0.281 4.401 4.120 -0.000 0.000 0.287 189 V C -0.147 175.835 176.094 -0.187 0.000 1.020 189 V CA -0.971 61.251 62.300 -0.130 0.000 0.850 189 V CB 1.709 33.444 31.823 -0.147 0.000 0.987 189 V HN 0.457 nan 8.190 nan 0.000 0.436 190 L N 7.456 128.594 121.223 -0.141 0.000 2.283 190 L HA 0.490 4.830 4.340 -0.000 0.000 0.287 190 L C -0.252 176.543 176.870 -0.124 0.000 1.073 190 L CA 0.374 55.121 54.840 -0.155 0.000 0.822 190 L CB 1.097 43.096 42.059 -0.102 0.000 1.186 190 L HN 0.451 nan 8.230 nan 0.000 0.436 191 V N 7.438 127.248 119.914 -0.174 0.000 2.347 191 V HA 0.496 4.616 4.120 -0.000 0.000 0.280 191 V C 0.176 176.129 176.094 -0.234 0.000 1.021 191 V CA -0.364 61.818 62.300 -0.197 0.000 0.847 191 V CB 1.200 32.880 31.823 -0.238 0.000 0.990 191 V HN 0.609 nan 8.190 nan 0.000 0.444 192 I N 4.045 124.485 120.570 -0.218 0.000 2.582 192 I HA 0.532 4.702 4.170 -0.000 0.000 0.292 192 I C -0.837 175.022 176.117 -0.430 0.000 1.066 192 I CA -0.298 60.846 61.300 -0.260 0.000 1.053 192 I CB 2.279 40.209 38.000 -0.115 0.000 1.241 192 I HN 0.498 nan 8.210 nan 0.000 0.421 193 C N 3.472 122.564 119.300 -0.347 0.000 2.396 193 C HA 0.672 5.132 4.460 -0.000 0.000 0.321 193 C C 0.110 174.951 174.990 -0.248 0.000 1.233 193 C CA -0.575 58.246 59.018 -0.328 0.000 1.440 193 C CB 1.166 28.855 27.740 -0.086 0.000 2.110 193 C HN 0.760 nan 8.230 nan 0.000 0.473 194 S N 2.741 118.258 115.700 -0.304 0.000 2.677 194 S HA 0.602 5.072 4.470 -0.000 0.000 0.283 194 S C -1.152 173.437 174.600 -0.019 0.000 1.159 194 S CA -0.334 57.814 58.200 -0.087 0.000 1.001 194 S CB 0.539 63.754 63.200 0.025 0.000 1.032 194 S HN 0.781 nan 8.310 nan 0.000 0.487 195 E N 1.648 121.854 120.200 0.010 0.000 2.343 195 E HA 0.594 4.944 4.350 -0.000 0.000 0.270 195 E C -0.909 175.709 176.600 0.029 0.000 0.895 195 E CA -0.809 55.596 56.400 0.008 0.000 0.767 195 E CB 2.133 31.821 29.700 -0.019 0.000 1.248 195 E HN 0.512 nan 8.360 nan 0.000 0.440 196 T N -1.076 113.491 114.554 0.021 0.000 3.012 196 T HA 0.180 4.530 4.350 -0.000 0.000 0.330 196 T C 0.317 175.050 174.700 0.055 0.000 1.321 196 T CA -0.381 61.754 62.100 0.058 0.000 1.067 196 T CB 1.147 70.035 68.868 0.034 0.000 1.235 196 T HN 0.465 nan 8.240 nan 0.000 0.479 197 T N 1.528 116.150 114.554 0.113 0.000 3.215 197 T HA 0.246 4.596 4.350 -0.000 0.000 0.254 197 T C 2.132 176.946 174.700 0.190 0.000 1.149 197 T CA 0.676 62.859 62.100 0.138 0.000 1.042 197 T CB -0.364 68.644 68.868 0.233 0.000 0.966 197 T HN 0.771 nan 8.240 nan 0.000 0.534 198 A N 1.246 124.168 122.820 0.169 0.000 1.892 198 A HA -0.032 4.288 4.320 -0.000 0.000 0.218 198 A C 2.410 180.084 177.584 0.149 0.000 1.188 198 A CA 1.718 53.868 52.037 0.187 0.000 0.631 198 A CB -1.115 17.961 19.000 0.126 0.000 0.822 198 A HN 0.506 nan 8.150 nan 0.000 0.447 199 V N -1.297 118.668 119.914 0.085 0.000 3.461 199 V HA 0.002 4.122 4.120 -0.000 0.000 0.267 199 V C 1.980 178.114 176.094 0.067 0.000 1.186 199 V CA 2.255 64.591 62.300 0.060 0.000 1.154 199 V CB -0.095 31.737 31.823 0.015 0.000 0.802 199 V HN 0.605 nan 8.190 nan 0.000 0.474 200 T N -0.838 113.772 114.554 0.094 0.000 2.978 200 T HA 0.241 4.591 4.350 -0.000 0.000 0.248 200 T C 0.316 175.129 174.700 0.188 0.000 1.018 200 T CA -0.328 61.825 62.100 0.087 0.000 1.026 200 T CB -0.067 68.775 68.868 -0.044 0.000 1.032 200 T HN 0.420 nan 8.240 nan 0.000 0.485 201 F N 4.573 124.593 119.950 0.116 0.000 2.553 201 F HA 0.411 4.938 4.527 -0.000 0.000 0.356 201 F C 0.473 176.366 175.800 0.155 0.000 1.142 201 F CA -0.131 57.971 58.000 0.171 0.000 1.322 201 F CB 0.414 39.528 39.000 0.191 0.000 1.126 201 F HN 0.179 nan 8.300 nan 0.000 0.599 202 R N 3.511 123.571 120.500 -0.734 0.000 2.828 202 R HA 0.464 4.804 4.340 -0.000 0.000 0.280 202 R C -0.869 175.135 176.300 -0.494 0.000 1.020 202 R CA -0.703 55.129 56.100 -0.446 0.000 0.855 202 R CB -0.057 30.200 30.300 -0.072 0.000 1.278 202 R HN 0.959 nan 8.270 nan 0.000 0.495 203 G N 1.255 109.878 108.800 -0.295 0.000 2.664 203 G HA2 0.356 4.316 3.960 -0.000 0.000 0.242 203 G HA3 0.356 4.316 3.960 -0.000 0.000 0.242 203 G C -2.100 172.661 174.900 -0.231 0.000 1.225 203 G CA -0.905 43.970 45.100 -0.376 0.000 0.849 203 G HN 0.567 nan 8.290 nan 0.000 0.581 204 P HA 0.295 nan 4.420 nan 0.000 0.277 204 P C -0.727 176.335 177.300 -0.397 0.000 1.240 204 P CA -0.280 62.616 63.100 -0.340 0.000 0.798 204 P CB 1.858 33.287 31.700 -0.451 0.000 0.979 205 S N 0.012 115.448 115.700 -0.441 0.000 2.619 205 S HA 0.176 4.646 4.470 -0.000 0.000 0.280 205 S C 0.781 175.228 174.600 -0.255 0.000 1.150 205 S CA -0.628 57.251 58.200 -0.535 0.000 0.978 205 S CB 0.819 63.255 63.200 -1.274 0.000 1.041 205 S HN 0.493 nan 8.310 nan 0.000 0.485 206 E N 2.245 122.351 120.200 -0.158 0.000 2.516 206 E HA -0.062 4.288 4.350 -0.000 0.000 0.199 206 E C 1.063 177.588 176.600 -0.125 0.000 1.069 206 E CA 1.199 57.546 56.400 -0.087 0.000 0.876 206 E CB -0.380 29.293 29.700 -0.045 0.000 0.843 206 E HN 0.668 nan 8.360 nan 0.000 0.530 207 T N -2.281 112.146 114.554 -0.212 0.000 3.037 207 T HA 0.003 4.353 4.350 -0.000 0.000 0.252 207 T C 0.865 175.255 174.700 -0.517 0.000 1.073 207 T CA 0.058 61.951 62.100 -0.346 0.000 1.091 207 T CB -0.061 68.560 68.868 -0.411 0.000 0.935 207 T HN 0.241 nan 8.240 nan 0.000 0.488 208 H N 1.263 120.284 119.070 -0.081 0.000 2.386 208 H HA 0.424 4.980 4.556 -0.000 0.000 0.232 208 H C 0.900 176.229 175.328 0.002 0.000 1.416 208 H CA -0.401 55.644 56.048 -0.005 0.000 1.285 208 H CB 0.305 30.127 29.762 0.100 0.000 1.625 208 H HN 0.226 nan 8.280 nan 0.000 0.521 209 L N 0.278 121.537 121.223 0.060 0.000 2.189 209 L HA -0.247 4.093 4.340 -0.000 0.000 0.214 209 L C 2.142 179.088 176.870 0.126 0.000 1.097 209 L CA 1.823 56.714 54.840 0.086 0.000 0.764 209 L CB -0.331 41.762 42.059 0.057 0.000 0.900 209 L HN 0.424 nan 8.230 nan 0.000 0.436 210 D N -0.891 119.571 120.400 0.104 0.000 2.144 210 D HA -0.176 4.464 4.640 -0.000 0.000 0.199 210 D C 1.957 178.356 176.300 0.165 0.000 0.984 210 D CA 1.478 55.528 54.000 0.084 0.000 0.834 210 D CB -0.335 40.455 40.800 -0.017 0.000 0.955 210 D HN 0.094 nan 8.370 nan 0.000 0.465 211 S N -0.497 115.320 115.700 0.195 0.000 2.453 211 S HA 0.041 4.510 4.470 -0.000 0.000 0.231 211 S C 1.814 176.644 174.600 0.382 0.000 1.005 211 S CA 0.093 58.518 58.200 0.375 0.000 0.949 211 S CB -0.306 63.100 63.200 0.344 0.000 0.774 211 S HN 0.291 nan 8.310 nan 0.000 0.510 212 L N 1.217 122.601 121.223 0.268 0.000 2.093 212 L HA -0.082 4.258 4.340 -0.000 0.000 0.208 212 L C 2.146 179.218 176.870 0.337 0.000 1.085 212 L CA 1.003 55.995 54.840 0.252 0.000 0.755 212 L CB -0.378 41.834 42.059 0.256 0.000 0.904 212 L HN 0.215 nan 8.230 nan 0.000 0.435 213 V N -0.044 120.053 119.914 0.305 0.000 2.287 213 V HA -0.260 3.860 4.120 -0.000 0.000 0.248 213 V C 2.618 178.817 176.094 0.174 0.000 1.053 213 V CA 2.019 64.461 62.300 0.236 0.000 1.027 213 V CB -1.252 30.700 31.823 0.216 0.000 0.646 213 V HN 0.620 nan 8.190 nan 0.000 0.447 214 G N -0.857 108.130 108.800 0.312 0.000 2.450 214 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.220 214 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.220 214 G C 1.363 176.287 174.900 0.041 0.000 1.130 214 G CA 0.433 45.483 45.100 -0.083 0.000 0.760 214 G HN 0.495 nan 8.290 nan 0.000 0.557 215 Q N 0.142 120.055 119.800 0.188 0.000 2.508 215 Q HA 0.085 4.425 4.340 -0.000 0.000 0.214 215 Q C 2.130 178.306 176.000 0.293 0.000 0.979 215 Q CA 1.019 56.920 55.803 0.163 0.000 0.911 215 Q CB -0.053 28.599 28.738 -0.143 0.000 0.969 215 Q HN 0.549 nan 8.270 nan 0.000 0.504 216 A N -0.957 121.986 122.820 0.205 0.000 2.456 216 A HA 0.262 4.582 4.320 -0.000 0.000 0.237 216 A C 1.554 179.089 177.584 -0.081 0.000 1.217 216 A CA -0.161 51.932 52.037 0.093 0.000 0.962 216 A CB 0.425 19.379 19.000 -0.076 0.000 1.079 216 A HN 0.237 nan 8.150 nan 0.000 0.536 217 L N -1.564 119.539 121.223 -0.198 0.000 2.642 217 L HA 0.360 4.700 4.340 -0.000 0.000 0.233 217 L C -0.384 176.303 176.870 -0.305 0.000 1.077 217 L CA 0.017 54.663 54.840 -0.323 0.000 0.879 217 L CB 0.081 41.844 42.059 -0.492 0.000 1.151 217 L HN 0.208 nan 8.230 nan 0.000 0.495 218 F N 1.144 121.067 119.950 -0.045 0.000 2.424 218 F HA 0.556 5.083 4.527 -0.000 0.000 0.356 218 F C 0.965 176.756 175.800 -0.014 0.000 1.110 218 F CA -0.889 57.086 58.000 -0.041 0.000 1.161 218 F CB 0.837 39.796 39.000 -0.068 0.000 1.115 218 F HN -0.193 nan 8.300 nan 0.000 0.507 219 G N 1.679 110.598 108.800 0.198 0.000 3.016 219 G HA2 0.577 4.537 3.960 -0.000 0.000 0.270 219 G HA3 0.577 4.537 3.960 -0.000 0.000 0.270 219 G C -1.522 173.459 174.900 0.134 0.000 1.352 219 G CA -0.717 44.460 45.100 0.128 0.000 1.060 219 G HN 0.377 nan 8.290 nan 0.000 0.538 220 D N -1.317 119.172 120.400 0.148 0.000 2.340 220 D HA 0.725 5.365 4.640 -0.000 0.000 0.240 220 D C 0.288 176.643 176.300 0.093 0.000 1.001 220 D CA 0.248 54.326 54.000 0.129 0.000 0.888 220 D CB 1.862 42.765 40.800 0.173 0.000 1.310 220 D HN 0.829 nan 8.370 nan 0.000 0.474 221 G N -1.066 107.770 108.800 0.061 0.000 2.355 221 G HA2 0.633 4.593 3.960 -0.000 0.000 0.296 221 G HA3 0.633 4.593 3.960 -0.000 0.000 0.296 221 G C -1.966 173.013 174.900 0.131 0.000 1.507 221 G CA -0.334 44.807 45.100 0.069 0.000 0.823 221 G HN 0.594 nan 8.290 nan 0.000 0.569 222 A N -0.142 122.813 122.820 0.225 0.000 2.486 222 A HA 0.925 5.245 4.320 -0.000 0.000 0.300 222 A C -0.361 177.288 177.584 0.108 0.000 1.048 222 A CA -0.364 51.754 52.037 0.135 0.000 0.696 222 A CB 1.957 20.997 19.000 0.066 0.000 1.278 222 A HN 1.396 nan 8.150 nan 0.000 0.405 223 S N -0.232 115.486 115.700 0.029 0.000 2.536 223 S HA 0.858 5.328 4.470 -0.000 0.000 0.298 223 S C -0.423 174.071 174.600 -0.176 0.000 1.083 223 S CA 0.008 58.151 58.200 -0.095 0.000 0.995 223 S CB 1.703 64.915 63.200 0.019 0.000 1.058 223 S HN 1.787 nan 8.310 nan 0.000 0.488 224 A N 3.046 125.738 122.820 -0.212 0.000 2.427 224 A HA 0.813 5.133 4.320 -0.000 0.000 0.298 224 A C -1.384 176.062 177.584 -0.230 0.000 1.036 224 A CA -0.560 51.356 52.037 -0.202 0.000 0.701 224 A CB 0.744 19.668 19.000 -0.127 0.000 1.250 224 A HN 0.721 nan 8.150 nan 0.000 0.412 225 L N 2.484 123.550 121.223 -0.260 0.000 2.354 225 L HA 0.626 4.966 4.340 -0.000 0.000 0.264 225 L C -0.905 175.820 176.870 -0.242 0.000 1.008 225 L CA -0.931 53.765 54.840 -0.239 0.000 0.819 225 L CB 2.015 43.907 42.059 -0.279 0.000 1.339 225 L HN 0.481 nan 8.230 nan 0.000 0.420 226 I N 2.666 123.080 120.570 -0.259 0.000 2.382 226 I HA 0.387 4.557 4.170 -0.000 0.000 0.285 226 I C -0.349 175.584 176.117 -0.307 0.000 1.007 226 I CA -0.388 60.672 61.300 -0.400 0.000 1.142 226 I CB 1.814 39.409 38.000 -0.675 0.000 1.289 226 I HN 0.178 nan 8.210 nan 0.000 0.453 227 V N 5.202 124.956 119.914 -0.266 0.000 2.581 227 V HA 0.949 5.069 4.120 -0.000 0.000 0.303 227 V C 0.312 176.310 176.094 -0.160 0.000 1.041 227 V CA -0.442 61.754 62.300 -0.174 0.000 0.907 227 V CB 1.979 33.718 31.823 -0.140 0.000 0.994 227 V HN 0.937 nan 8.190 nan 0.000 0.442 228 G N 2.337 111.082 108.800 -0.091 0.000 2.691 228 G HA2 0.667 4.627 3.960 -0.000 0.000 0.298 228 G HA3 0.667 4.627 3.960 -0.000 0.000 0.298 228 G C -1.002 173.895 174.900 -0.004 0.000 1.471 228 G CA 0.014 45.082 45.100 -0.053 0.000 0.912 228 G HN 1.030 nan 8.290 nan 0.000 0.553 229 A N 1.360 124.180 122.820 0.001 0.000 2.286 229 A HA 0.727 5.047 4.320 -0.000 0.000 0.286 229 A C 0.443 178.040 177.584 0.022 0.000 1.097 229 A CA 0.202 52.252 52.037 0.022 0.000 0.821 229 A CB 0.268 19.275 19.000 0.012 0.000 1.076 229 A HN 1.230 nan 8.150 nan 0.000 0.490 230 D N -0.199 120.215 120.400 0.023 0.000 2.718 230 D HA -0.094 4.546 4.640 -0.000 0.000 0.242 230 D C -2.234 174.087 176.300 0.035 0.000 1.123 230 D CA 0.884 54.895 54.000 0.018 0.000 0.690 230 D CB -1.722 39.083 40.800 0.009 0.000 1.059 230 D HN 0.516 nan 8.370 nan 0.000 0.429 231 P HA 0.093 nan 4.420 nan 0.000 0.264 231 P C 0.567 177.893 177.300 0.043 0.000 1.193 231 P CA -0.520 62.616 63.100 0.060 0.000 0.763 231 P CB 0.673 32.407 31.700 0.057 0.000 0.810 232 I N 6.312 126.911 120.570 0.048 0.000 2.683 232 I HA 0.060 4.230 4.170 -0.000 0.000 0.286 232 I C -1.946 174.179 176.117 0.013 0.000 1.175 232 I CA -2.355 58.959 61.300 0.024 0.000 1.429 232 I CB -0.150 37.860 38.000 0.016 0.000 1.371 232 I HN 0.261 nan 8.210 nan 0.000 0.569 233 P HA -0.044 nan 4.420 nan 0.000 0.267 233 P C -0.679 176.616 177.300 -0.008 0.000 1.209 233 P CA 0.145 63.244 63.100 -0.002 0.000 0.763 233 P CB 0.594 32.292 31.700 -0.004 0.000 0.816 234 Q N 0.436 120.231 119.800 -0.009 0.000 2.494 234 Q HA -0.150 4.190 4.340 -0.000 0.000 0.272 234 Q C 0.228 176.214 176.000 -0.024 0.000 1.145 234 Q CA 0.350 56.143 55.803 -0.016 0.000 0.943 234 Q CB -1.422 27.306 28.738 -0.017 0.000 1.338 234 Q HN 0.390 nan 8.270 nan 0.000 0.492 235 V N -1.671 118.229 119.914 -0.023 0.000 3.155 235 V HA 0.102 4.222 4.120 -0.000 0.000 0.225 235 V C 0.156 176.228 176.094 -0.037 0.000 1.462 235 V CA 0.665 62.938 62.300 -0.045 0.000 1.270 235 V CB 1.080 32.870 31.823 -0.055 0.000 1.112 235 V HN 0.179 nan 8.190 nan 0.000 0.479 236 E N 1.184 121.388 120.200 0.007 0.000 2.199 236 E HA 0.470 4.820 4.350 -0.000 0.000 0.269 236 E C -0.785 175.846 176.600 0.053 0.000 0.899 236 E CA -0.472 55.967 56.400 0.065 0.000 0.772 236 E CB 2.519 32.303 29.700 0.140 0.000 1.155 236 E HN 0.126 nan 8.360 nan 0.000 0.408 237 K N 2.480 122.916 120.400 0.060 0.000 2.521 237 K HA 0.481 4.801 4.320 -0.000 0.000 0.248 237 K C -0.869 175.739 176.600 0.014 0.000 0.978 237 K CA -0.443 55.857 56.287 0.021 0.000 0.947 237 K CB 1.079 33.578 32.500 -0.002 0.000 1.165 237 K HN 0.588 nan 8.250 nan 0.000 0.445 238 A N 2.136 124.958 122.820 0.004 0.000 2.406 238 A HA 0.156 4.476 4.320 -0.000 0.000 0.243 238 A C 0.970 178.496 177.584 -0.096 0.000 1.082 238 A CA -0.150 51.878 52.037 -0.015 0.000 0.786 238 A CB -0.046 18.956 19.000 0.003 0.000 1.029 238 A HN 1.049 nan 8.150 nan 0.000 0.495 239 C N -2.385 116.821 119.300 -0.157 0.000 3.757 239 C HA 0.755 5.215 4.460 -0.000 0.000 0.358 239 C C -0.256 174.190 174.990 -0.907 0.000 1.484 239 C CA -0.647 58.102 59.018 -0.449 0.000 1.862 239 C CB -1.364 26.145 27.740 -0.385 0.000 2.654 239 C HN 0.530 nan 8.230 nan 0.000 0.699 240 F N 1.188 121.129 119.950 -0.015 0.000 2.650 240 F HA 0.512 5.039 4.527 -0.000 0.000 0.310 240 F C -0.675 175.123 175.800 -0.003 0.000 1.112 240 F CA -0.494 57.507 58.000 0.000 0.000 0.986 240 F CB 1.189 40.195 39.000 0.010 0.000 1.285 240 F HN 0.004 nan 8.300 nan 0.000 0.440 241 E N 2.948 123.254 120.200 0.176 0.000 2.183 241 E HA 0.590 4.940 4.350 -0.000 0.000 0.271 241 E C -1.036 175.530 176.600 -0.056 0.000 0.919 241 E CA -0.752 55.679 56.400 0.053 0.000 0.781 241 E CB 2.531 32.252 29.700 0.035 0.000 1.140 241 E HN 0.411 nan 8.360 nan 0.000 0.402 242 I N 3.702 124.212 120.570 -0.101 0.000 2.291 242 I HA 0.044 4.214 4.170 -0.000 0.000 0.292 242 I C 0.875 176.788 176.117 -0.340 0.000 1.064 242 I CA -0.177 61.026 61.300 -0.161 0.000 1.269 242 I CB 0.730 38.675 38.000 -0.093 0.000 1.418 242 I HN 0.443 nan 8.210 nan 0.000 0.485 243 V N 5.427 125.073 119.914 -0.447 0.000 2.374 243 V HA 0.026 4.146 4.120 -0.000 0.000 0.241 243 V C 0.104 176.130 176.094 -0.115 0.000 1.034 243 V CA 0.653 62.574 62.300 -0.631 0.000 1.037 243 V CB -0.192 31.240 31.823 -0.651 0.000 0.682 243 V HN 0.791 nan 8.190 nan 0.000 0.463 244 W N 0.217 121.373 121.300 -0.240 0.000 3.256 244 W HA 0.552 5.212 4.660 -0.000 0.000 0.324 244 W C -0.608 175.810 176.519 -0.168 0.000 1.196 244 W CA -0.169 57.102 57.345 -0.123 0.000 1.206 244 W CB 1.680 31.132 29.460 -0.014 0.000 1.385 244 W HN 0.093 nan 8.180 nan 0.000 0.522 245 T N 1.699 115.878 114.554 -0.625 0.000 2.916 245 T HA 0.945 5.295 4.350 -0.000 0.000 0.292 245 T C -0.748 173.326 174.700 -1.043 0.000 1.064 245 T CA -0.491 61.257 62.100 -0.587 0.000 1.011 245 T CB 1.821 70.465 68.868 -0.373 0.000 1.152 245 T HN 1.259 nan 8.240 nan 0.000 0.510 246 A N 0.731 123.185 122.820 -0.610 0.000 2.608 246 A HA 0.785 5.105 4.320 -0.000 0.000 0.292 246 A C -1.480 175.975 177.584 -0.216 0.000 1.066 246 A CA -0.848 50.889 52.037 -0.501 0.000 0.676 246 A CB 1.847 20.582 19.000 -0.441 0.000 1.277 246 A HN 1.026 nan 8.150 nan 0.000 0.413 247 Q N 0.053 119.758 119.800 -0.157 0.000 2.377 247 Q HA 0.723 5.063 4.340 -0.000 0.000 0.279 247 Q C -1.506 174.446 176.000 -0.079 0.000 1.049 247 Q CA -0.326 55.410 55.803 -0.113 0.000 0.825 247 Q CB 2.512 31.165 28.738 -0.142 0.000 1.401 247 Q HN 1.109 nan 8.270 nan 0.000 0.404 248 T N 0.828 115.340 114.554 -0.069 0.000 2.886 248 T HA 0.436 4.786 4.350 -0.000 0.000 0.330 248 T C -1.769 172.897 174.700 -0.057 0.000 1.488 248 T CA -0.348 61.726 62.100 -0.043 0.000 1.054 248 T CB 1.597 70.469 68.868 0.006 0.000 1.348 248 T HN 0.314 nan 8.240 nan 0.000 0.489 249 V N 3.819 123.705 119.914 -0.046 0.000 2.370 249 V HA 0.516 4.636 4.120 -0.000 0.000 0.279 249 V C 0.740 176.824 176.094 -0.018 0.000 1.029 249 V CA -0.693 61.582 62.300 -0.041 0.000 0.870 249 V CB 1.300 33.100 31.823 -0.038 0.000 0.984 249 V HN 0.765 nan 8.190 nan 0.000 0.451 250 V N 8.442 128.347 119.914 -0.014 0.000 2.715 250 V HA 0.347 4.467 4.120 -0.000 0.000 0.299 250 V C -1.994 174.095 176.094 -0.008 0.000 1.054 250 V CA -1.456 60.838 62.300 -0.010 0.000 1.077 250 V CB 1.441 33.253 31.823 -0.018 0.000 0.972 250 V HN 0.807 nan 8.190 nan 0.000 0.484 251 P HA 0.130 nan 4.420 nan 0.000 0.268 251 P C -0.369 176.928 177.300 -0.004 0.000 1.208 251 P CA 0.304 63.402 63.100 -0.003 0.000 0.777 251 P CB -0.034 31.665 31.700 -0.001 0.000 0.875 252 N N -0.330 118.368 118.700 -0.002 0.000 2.696 252 N HA -0.190 4.550 4.740 -0.000 0.000 0.271 252 N C -0.227 175.283 175.510 -0.001 0.000 0.997 252 N CA 1.228 54.277 53.050 -0.001 0.000 0.801 252 N CB -1.834 36.651 38.487 -0.002 0.000 0.913 252 N HN 0.379 nan 8.380 nan 0.000 0.557 253 S N -2.400 113.301 115.700 0.002 0.000 2.846 253 S HA 0.099 4.569 4.470 -0.000 0.000 0.249 253 S C 0.040 174.648 174.600 0.014 0.000 1.028 253 S CA -0.717 57.486 58.200 0.005 0.000 1.043 253 S CB 0.539 63.741 63.200 0.004 0.000 0.990 253 S HN 0.207 nan 8.310 nan 0.000 0.564 254 E N 2.294 122.501 120.200 0.011 0.000 2.868 254 E HA 0.057 4.407 4.350 -0.000 0.000 0.246 254 E C 1.227 177.838 176.600 0.019 0.000 0.962 254 E CA 1.179 57.587 56.400 0.014 0.000 0.955 254 E CB -0.145 29.561 29.700 0.010 0.000 0.903 254 E HN 0.759 nan 8.360 nan 0.000 0.524 255 G N 3.449 112.265 108.800 0.026 0.000 2.337 255 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.290 255 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.290 255 G C 1.098 176.015 174.900 0.027 0.000 1.003 255 G CA 0.811 45.929 45.100 0.029 0.000 0.825 255 G HN 0.667 nan 8.290 nan 0.000 0.509 256 A N -1.101 121.739 122.820 0.034 0.000 1.972 256 A HA 0.451 4.771 4.320 -0.000 0.000 0.219 256 A C 1.176 178.791 177.584 0.051 0.000 1.169 256 A CA 1.456 53.512 52.037 0.033 0.000 0.635 256 A CB 0.071 19.090 19.000 0.032 0.000 0.810 256 A HN 0.936 nan 8.150 nan 0.000 0.446 257 I N -2.384 118.235 120.570 0.082 0.000 2.656 257 I HA 0.633 4.803 4.170 -0.000 0.000 0.292 257 I C 0.077 176.273 176.117 0.131 0.000 1.144 257 I CA -0.428 60.950 61.300 0.130 0.000 1.038 257 I CB 2.345 40.472 38.000 0.212 0.000 1.244 257 I HN 0.222 nan 8.210 nan 0.000 0.420 258 G N 2.720 111.599 108.800 0.132 0.000 2.349 258 G HA2 0.673 4.633 3.960 -0.000 0.000 0.294 258 G HA3 0.673 4.633 3.960 -0.000 0.000 0.294 258 G C -1.585 173.393 174.900 0.131 0.000 1.380 258 G CA -0.147 45.027 45.100 0.124 0.000 0.811 258 G HN 0.939 nan 8.290 nan 0.000 0.519 259 G N -1.062 107.803 108.800 0.107 0.000 2.687 259 G HA2 0.743 4.703 3.960 -0.000 0.000 0.291 259 G HA3 0.743 4.703 3.960 -0.000 0.000 0.291 259 G C -1.702 173.230 174.900 0.053 0.000 1.420 259 G CA -0.732 44.430 45.100 0.103 0.000 0.796 259 G HN 0.564 nan 8.290 nan 0.000 0.485 260 K N -0.062 120.359 120.400 0.036 0.000 2.535 260 K HA 0.454 4.774 4.320 -0.000 0.000 0.251 260 K C -1.380 175.222 176.600 0.003 0.000 0.942 260 K CA -0.764 55.531 56.287 0.013 0.000 0.798 260 K CB 3.104 35.602 32.500 -0.003 0.000 1.267 260 K HN 0.246 nan 8.250 nan 0.000 0.434 261 V N 4.846 124.760 119.914 -0.001 0.000 2.339 261 V HA 0.291 4.411 4.120 -0.000 0.000 0.261 261 V C 0.178 176.262 176.094 -0.018 0.000 1.058 261 V CA -0.349 61.946 62.300 -0.009 0.000 0.897 261 V CB 0.070 31.888 31.823 -0.008 0.000 1.052 261 V HN 0.595 nan 8.190 nan 0.000 0.480 262 R N 2.889 123.373 120.500 -0.027 0.000 3.018 262 R HA 0.472 4.812 4.340 -0.000 0.000 0.243 262 R C 0.807 177.085 176.300 -0.037 0.000 1.315 262 R CA -0.860 55.219 56.100 -0.035 0.000 1.039 262 R CB 0.826 31.097 30.300 -0.048 0.000 1.315 262 R HN 0.537 nan 8.270 nan 0.000 0.492 263 E N 0.733 120.910 120.200 -0.039 0.000 2.472 263 E HA -0.084 4.266 4.350 -0.000 0.000 0.200 263 E C 1.249 177.822 176.600 -0.044 0.000 1.046 263 E CA 0.890 57.269 56.400 -0.035 0.000 0.871 263 E CB 0.100 29.781 29.700 -0.032 0.000 0.806 263 E HN 0.340 nan 8.360 nan 0.000 0.533 264 V N -3.630 116.245 119.914 -0.064 0.000 3.542 264 V HA 0.465 4.585 4.120 -0.000 0.000 0.296 264 V C 0.803 176.859 176.094 -0.063 0.000 1.364 264 V CA 0.100 62.349 62.300 -0.085 0.000 1.118 264 V CB -0.381 31.346 31.823 -0.160 0.000 0.972 264 V HN 0.229 nan 8.190 nan 0.000 0.430 265 G N 0.654 109.431 108.800 -0.039 0.000 2.512 265 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.210 265 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.210 265 G C -0.698 174.191 174.900 -0.017 0.000 1.295 265 G CA -0.212 44.878 45.100 -0.016 0.000 0.934 265 G HN 0.723 nan 8.290 nan 0.000 0.554 266 L N 2.113 123.338 121.223 0.003 0.000 2.268 266 L HA 0.581 4.921 4.340 -0.000 0.000 0.289 266 L C 1.359 178.250 176.870 0.036 0.000 1.064 266 L CA 0.034 54.882 54.840 0.013 0.000 0.824 266 L CB 0.359 42.426 42.059 0.014 0.000 1.202 266 L HN 1.052 nan 8.230 nan 0.000 0.433 267 T N 1.656 116.222 114.554 0.019 0.000 2.907 267 T HA 0.288 4.638 4.350 -0.000 0.000 0.298 267 T C -0.496 174.293 174.700 0.147 0.000 1.017 267 T CA -0.489 61.629 62.100 0.030 0.000 1.118 267 T CB 1.050 69.883 68.868 -0.058 0.000 0.948 267 T HN 0.387 nan 8.240 nan 0.000 0.531 268 F N 3.095 123.070 119.950 0.042 0.000 2.492 268 F HA 0.578 5.105 4.527 -0.000 0.000 0.327 268 F C -0.564 175.307 175.800 0.118 0.000 1.079 268 F CA -0.990 57.071 58.000 0.100 0.000 0.967 268 F CB 1.763 40.869 39.000 0.177 0.000 1.169 268 F HN 0.862 nan 8.300 nan 0.000 0.472 269 Q N 7.327 126.677 119.800 -0.750 0.000 2.320 269 Q HA 0.631 4.971 4.340 -0.000 0.000 0.272 269 Q C -2.161 173.462 176.000 -0.629 0.000 1.023 269 Q CA -1.101 54.316 55.803 -0.643 0.000 0.855 269 Q CB 2.619 31.232 28.738 -0.208 0.000 1.367 269 Q HN 1.037 nan 8.270 nan 0.000 0.406 270 L N -1.116 119.822 121.223 -0.475 0.000 2.513 270 L HA 0.656 4.996 4.340 -0.000 0.000 0.261 270 L C -1.510 175.320 176.870 -0.067 0.000 0.945 270 L CA -0.998 53.737 54.840 -0.176 0.000 0.848 270 L CB 2.438 44.475 42.059 -0.037 0.000 1.334 270 L HN 0.517 nan 8.230 nan 0.000 0.407 271 K N 1.654 122.046 120.400 -0.013 0.000 2.118 271 K HA 0.430 4.750 4.320 -0.000 0.000 0.264 271 K C 0.999 177.607 176.600 0.013 0.000 1.000 271 K CA 0.024 56.311 56.287 -0.001 0.000 0.929 271 K CB 1.561 34.063 32.500 0.003 0.000 1.021 271 K HN 0.914 nan 8.250 nan 0.000 0.463 272 G N 0.506 109.311 108.800 0.009 0.000 2.956 272 G HA2 -0.036 3.923 3.960 -0.000 0.000 0.207 272 G HA3 -0.036 3.923 3.960 -0.000 0.000 0.207 272 G C 0.937 175.839 174.900 0.003 0.000 1.162 272 G CA 0.297 45.404 45.100 0.011 0.000 0.796 272 G HN 0.612 nan 8.290 nan 0.000 0.527 273 A N -0.272 122.548 122.820 0.000 0.000 2.147 273 A HA 0.353 4.673 4.320 -0.000 0.000 0.211 273 A C 2.338 179.911 177.584 -0.019 0.000 1.160 273 A CA 0.624 52.656 52.037 -0.010 0.000 0.781 273 A CB 0.006 19.001 19.000 -0.008 0.000 0.842 273 A HN 0.154 nan 8.150 nan 0.000 0.475 274 V N 1.085 120.994 119.914 -0.008 0.000 2.250 274 V HA -0.249 3.871 4.120 -0.000 0.000 0.253 274 V C -0.033 176.018 176.094 -0.071 0.000 1.065 274 V CA 2.880 65.167 62.300 -0.022 0.000 1.039 274 V CB -1.668 30.168 31.823 0.023 0.000 0.647 274 V HN 0.372 nan 8.190 nan 0.000 0.446 275 P HA -0.199 nan 4.420 nan 0.000 0.215 275 P C 1.338 178.580 177.300 -0.097 0.000 1.157 275 P CA 2.106 65.156 63.100 -0.083 0.000 0.874 275 P CB -0.066 31.607 31.700 -0.046 0.000 0.790 276 D N -0.480 119.880 120.400 -0.068 0.000 2.078 276 D HA -0.171 4.469 4.640 -0.000 0.000 0.193 276 D C 1.880 178.133 176.300 -0.079 0.000 0.990 276 D CA 1.323 55.286 54.000 -0.062 0.000 0.827 276 D CB -1.071 39.705 40.800 -0.040 0.000 0.975 276 D HN 0.012 nan 8.370 nan 0.000 0.451 277 L N 0.087 121.265 121.223 -0.075 0.000 2.051 277 L HA -0.208 4.132 4.340 -0.000 0.000 0.214 277 L C 2.787 179.581 176.870 -0.127 0.000 1.076 277 L CA 1.203 55.996 54.840 -0.079 0.000 0.758 277 L CB -0.563 41.461 42.059 -0.059 0.000 0.890 277 L HN 0.261 nan 8.230 nan 0.000 0.433 278 I N -1.095 119.351 120.570 -0.205 0.000 2.252 278 I HA -0.248 3.922 4.170 -0.000 0.000 0.245 278 I C 2.598 178.560 176.117 -0.259 0.000 1.102 278 I CA 1.139 62.232 61.300 -0.344 0.000 1.385 278 I CB -0.306 37.307 38.000 -0.645 0.000 1.064 278 I HN 0.194 nan 8.210 nan 0.000 0.414 279 S N 1.037 116.624 115.700 -0.188 0.000 2.355 279 S HA -0.123 4.347 4.470 -0.000 0.000 0.222 279 S C 2.232 176.784 174.600 -0.081 0.000 1.031 279 S CA 1.324 59.449 58.200 -0.125 0.000 0.993 279 S CB -0.371 62.775 63.200 -0.091 0.000 0.859 279 S HN 0.534 nan 8.310 nan 0.000 0.453 280 A N 1.753 124.532 122.820 -0.068 0.000 2.125 280 A HA -0.046 4.274 4.320 -0.000 0.000 0.219 280 A C 1.628 179.193 177.584 -0.031 0.000 1.156 280 A CA 1.107 53.121 52.037 -0.038 0.000 0.671 280 A CB -0.285 18.695 19.000 -0.032 0.000 0.794 280 A HN 0.536 nan 8.150 nan 0.000 0.459 281 N N -1.657 117.010 118.700 -0.055 0.000 2.166 281 N HA 0.082 4.822 4.740 -0.000 0.000 0.213 281 N C 1.115 176.602 175.510 -0.040 0.000 1.222 281 N CA 0.073 53.102 53.050 -0.035 0.000 0.900 281 N CB 0.283 38.749 38.487 -0.034 0.000 1.055 281 N HN 0.359 nan 8.380 nan 0.000 0.515 282 I N 2.514 123.031 120.570 -0.089 0.000 2.226 282 I HA -0.236 3.934 4.170 -0.000 0.000 0.245 282 I C 2.439 178.526 176.117 -0.050 0.000 1.100 282 I CA 1.484 62.708 61.300 -0.127 0.000 1.374 282 I CB -0.018 37.867 38.000 -0.192 0.000 1.057 282 I HN 0.030 nan 8.210 nan 0.000 0.413 283 E N 0.662 120.862 120.200 0.001 0.000 2.033 283 E HA -0.285 4.065 4.350 -0.000 0.000 0.199 283 E C 2.004 178.654 176.600 0.084 0.000 1.011 283 E CA 2.067 58.508 56.400 0.069 0.000 0.815 283 E CB -0.266 29.517 29.700 0.140 0.000 0.755 283 E HN 0.452 nan 8.360 nan 0.000 0.451 284 N N -0.145 118.604 118.700 0.081 0.000 2.094 284 N HA -0.194 4.546 4.740 -0.000 0.000 0.191 284 N C 1.919 177.483 175.510 0.091 0.000 1.023 284 N CA 1.541 54.644 53.050 0.089 0.000 0.857 284 N CB -0.953 37.575 38.487 0.069 0.000 1.013 284 N HN 0.307 nan 8.380 nan 0.000 0.426 285 C N 0.636 119.994 119.300 0.097 0.000 2.413 285 C HA -0.059 4.401 4.460 -0.000 0.000 0.276 285 C C 2.714 177.787 174.990 0.139 0.000 1.248 285 C CA 0.543 59.661 59.018 0.167 0.000 1.742 285 C CB -0.816 27.085 27.740 0.268 0.000 2.017 285 C HN 0.433 nan 8.230 nan 0.000 0.481 286 M N 1.042 120.663 119.600 0.036 0.000 2.159 286 M HA -0.088 4.392 4.480 -0.000 0.000 0.263 286 M C 2.419 178.718 176.300 -0.002 0.000 1.063 286 M CA 1.697 56.882 55.300 -0.191 0.000 1.110 286 M CB -1.535 30.473 32.600 -0.987 0.000 1.374 286 M HN 0.523 nan 8.290 nan 0.000 0.411 287 V N -1.666 118.335 119.914 0.143 0.000 2.591 287 V HA -0.076 4.044 4.120 -0.000 0.000 0.249 287 V C 1.885 178.016 176.094 0.063 0.000 1.053 287 V CA 1.238 63.691 62.300 0.255 0.000 1.068 287 V CB -0.734 31.243 31.823 0.257 0.000 0.689 287 V HN 0.362 nan 8.190 nan 0.000 0.462 288 E N 1.251 121.460 120.200 0.015 0.000 2.204 288 E HA -0.080 4.270 4.350 -0.000 0.000 0.195 288 E C 2.171 178.557 176.600 -0.356 0.000 0.990 288 E CA 1.535 57.898 56.400 -0.061 0.000 0.821 288 E CB -0.093 29.649 29.700 0.070 0.000 0.750 288 E HN 0.781 nan 8.360 nan 0.000 0.477 289 A N -0.181 122.368 122.820 -0.452 0.000 1.993 289 A HA 0.105 4.425 4.320 -0.000 0.000 0.207 289 A C 1.494 178.479 177.584 -0.999 0.000 1.224 289 A CA 0.091 51.476 52.037 -1.086 0.000 0.749 289 A CB -0.070 18.459 19.000 -0.785 0.000 0.884 289 A HN 0.087 nan 8.150 nan 0.000 0.467 290 F N 0.194 120.003 119.950 -0.234 0.000 2.749 290 F HA 0.133 4.660 4.527 -0.000 0.000 0.300 290 F C 2.292 178.047 175.800 -0.076 0.000 1.103 290 F CA 0.632 58.623 58.000 -0.015 0.000 1.342 290 F CB 0.188 39.321 39.000 0.222 0.000 1.098 290 F HN 0.072 nan 8.300 nan 0.000 0.586 291 S N 0.238 115.922 115.700 -0.026 0.000 2.399 291 S HA -0.237 4.233 4.470 -0.000 0.000 0.231 291 S C 2.089 176.572 174.600 -0.196 0.000 1.022 291 S CA 1.405 59.575 58.200 -0.049 0.000 0.983 291 S CB -0.492 62.674 63.200 -0.056 0.000 0.803 291 S HN 0.604 nan 8.310 nan 0.000 0.480 292 Q N -0.146 119.357 119.800 -0.495 0.000 2.436 292 Q HA 0.002 4.342 4.340 -0.000 0.000 0.209 292 Q C 0.309 175.943 176.000 -0.609 0.000 0.965 292 Q CA 1.038 56.463 55.803 -0.630 0.000 0.910 292 Q CB -0.295 27.885 28.738 -0.931 0.000 0.980 292 Q HN 0.553 nan 8.270 nan 0.000 0.491 293 F N 1.828 121.748 119.950 -0.051 0.000 2.683 293 F HA 0.301 4.828 4.527 -0.000 0.000 0.306 293 F C -0.307 175.527 175.800 0.056 0.000 1.102 293 F CA -0.939 57.069 58.000 0.013 0.000 1.244 293 F CB 0.409 39.434 39.000 0.042 0.000 1.029 293 F HN 0.006 nan 8.300 nan 0.000 0.545 294 K N 1.139 121.614 120.400 0.125 0.000 3.730 294 K HA -0.228 4.092 4.320 -0.000 0.000 0.276 294 K C -0.831 175.840 176.600 0.117 0.000 0.904 294 K CA 0.485 56.828 56.287 0.093 0.000 0.741 294 K CB -2.135 30.401 32.500 0.059 0.000 1.542 294 K HN 0.230 nan 8.250 nan 0.000 0.446 295 I N 1.251 121.920 120.570 0.165 0.000 2.512 295 I HA 0.101 4.271 4.170 -0.000 0.000 0.287 295 I C 0.469 176.623 176.117 0.061 0.000 1.069 295 I CA -0.472 60.900 61.300 0.119 0.000 1.056 295 I CB 1.777 39.895 38.000 0.195 0.000 1.229 295 I HN 0.442 nan 8.210 nan 0.000 0.429 296 S N 3.170 118.733 115.700 -0.227 0.000 2.687 296 S HA 0.083 4.553 4.470 -0.000 0.000 0.247 296 S C 0.116 173.969 174.600 -1.244 0.000 1.050 296 S CA -0.082 57.710 58.200 -0.680 0.000 1.063 296 S CB 0.168 63.149 63.200 -0.365 0.000 1.039 296 S HN 0.683 nan 8.310 nan 0.000 0.580 297 D N 0.744 120.756 120.400 -0.647 0.000 2.411 297 D HA 0.240 4.880 4.640 -0.000 0.000 0.225 297 D C 0.576 176.753 176.300 -0.205 0.000 1.156 297 D CA -0.516 53.187 54.000 -0.494 0.000 0.874 297 D CB 0.172 40.840 40.800 -0.220 0.000 1.034 297 D HN 0.397 nan 8.370 nan 0.000 0.502 298 W N 2.249 123.586 121.300 0.062 0.000 2.468 298 W HA -0.079 4.581 4.660 -0.000 0.000 0.262 298 W C 1.450 178.131 176.519 0.271 0.000 1.241 298 W CA -0.536 56.919 57.345 0.183 0.000 1.232 298 W CB -0.002 29.678 29.460 0.367 0.000 1.124 298 W HN 0.360 nan 8.180 nan 0.000 0.597 299 N N 0.627 119.508 118.700 0.303 0.000 2.461 299 N HA -0.023 4.717 4.740 -0.000 0.000 0.188 299 N C 0.886 176.503 175.510 0.178 0.000 1.134 299 N CA 0.744 53.929 53.050 0.226 0.000 0.878 299 N CB -0.055 38.496 38.487 0.106 0.000 0.972 299 N HN 0.308 nan 8.380 nan 0.000 0.456 300 K N 0.349 120.832 120.400 0.139 0.000 2.446 300 K HA 0.171 4.491 4.320 -0.000 0.000 0.203 300 K C -0.528 176.115 176.600 0.070 0.000 1.027 300 K CA -0.081 56.257 56.287 0.084 0.000 1.166 300 K CB 0.659 33.177 32.500 0.030 0.000 0.869 300 K HN -0.067 nan 8.250 nan 0.000 0.504 301 L N 0.703 121.990 121.223 0.106 0.000 2.370 301 L HA 0.419 4.759 4.340 -0.000 0.000 0.266 301 L C -0.336 176.601 176.870 0.112 0.000 1.002 301 L CA -1.091 53.705 54.840 -0.073 0.000 0.818 301 L CB 0.933 42.737 42.059 -0.424 0.000 1.325 301 L HN -0.003 nan 8.230 nan 0.000 0.418 302 F N -0.766 119.224 119.950 0.068 0.000 2.371 302 F HA 0.702 5.229 4.527 -0.000 0.000 0.329 302 F C -0.765 175.088 175.800 0.088 0.000 1.107 302 F CA -0.915 57.188 58.000 0.172 0.000 1.137 302 F CB 0.483 39.562 39.000 0.132 0.000 1.214 302 F HN 0.220 nan 8.300 nan 0.000 0.536 303 W N 1.296 122.732 121.300 0.226 0.000 2.781 303 W HA 0.701 5.361 4.660 -0.000 0.000 0.345 303 W C -1.514 175.100 176.519 0.157 0.000 1.085 303 W CA -1.140 56.284 57.345 0.132 0.000 1.198 303 W CB 2.108 31.643 29.460 0.125 0.000 1.423 303 W HN 0.369 nan 8.180 nan 0.000 0.532 304 V N 3.601 123.693 119.914 0.296 0.000 2.498 304 V HA 0.343 4.463 4.120 -0.000 0.000 0.283 304 V C -0.971 175.237 176.094 0.190 0.000 1.015 304 V CA -0.811 61.595 62.300 0.177 0.000 0.867 304 V CB 1.166 33.007 31.823 0.030 0.000 1.025 304 V HN 0.319 nan 8.190 nan 0.000 0.441 305 V N 3.199 123.252 119.914 0.233 0.000 2.555 305 V HA 0.426 4.546 4.120 -0.000 0.000 0.302 305 V C -0.037 176.113 176.094 0.092 0.000 1.038 305 V CA -0.968 61.459 62.300 0.212 0.000 0.887 305 V CB 1.968 33.992 31.823 0.335 0.000 0.991 305 V HN 0.944 nan 8.190 nan 0.000 0.434 306 H N 7.365 126.364 119.070 -0.119 0.000 3.004 306 H HA 0.155 4.711 4.556 -0.000 0.000 0.316 306 H C -2.068 173.303 175.328 0.071 0.000 1.014 306 H CA -1.239 54.762 56.048 -0.078 0.000 1.454 306 H CB 1.134 30.789 29.762 -0.179 0.000 1.472 306 H HN 0.361 nan 8.280 nan 0.000 0.571 307 P HA 0.102 nan 4.420 nan 0.000 0.220 307 P C 0.806 177.878 177.300 -0.380 0.000 1.806 307 P CA 0.125 63.053 63.100 -0.287 0.000 0.976 307 P CB -0.005 31.593 31.700 -0.169 0.000 1.952 308 G N 0.551 109.218 108.800 -0.222 0.000 2.498 308 G HA2 0.157 4.117 3.960 -0.000 0.000 0.219 308 G HA3 0.157 4.117 3.960 -0.000 0.000 0.219 308 G C 0.699 175.630 174.900 0.052 0.000 1.119 308 G CA 0.481 45.639 45.100 0.096 0.000 0.766 308 G HN 0.657 nan 8.290 nan 0.000 0.552 309 G N -1.766 107.044 108.800 0.016 0.000 2.405 309 G HA2 0.279 4.239 3.960 -0.000 0.000 0.303 309 G HA3 0.279 4.239 3.960 -0.000 0.000 0.303 309 G C 0.248 175.148 174.900 -0.000 0.000 1.644 309 G CA 0.133 45.229 45.100 -0.007 0.000 0.899 309 G HN 0.129 nan 8.290 nan 0.000 0.667 310 R N 0.942 121.430 120.500 -0.020 0.000 2.134 310 R HA -0.204 4.136 4.340 -0.000 0.000 0.248 310 R C 2.777 179.071 176.300 -0.010 0.000 1.143 310 R CA 3.056 59.146 56.100 -0.017 0.000 0.957 310 R CB -0.375 29.909 30.300 -0.027 0.000 0.867 310 R HN 0.882 nan 8.270 nan 0.000 0.441 311 A N 1.013 123.826 122.820 -0.011 0.000 1.917 311 A HA -0.183 4.137 4.320 -0.000 0.000 0.219 311 A C 2.221 179.793 177.584 -0.020 0.000 1.182 311 A CA 1.803 53.831 52.037 -0.015 0.000 0.633 311 A CB -0.557 18.435 19.000 -0.012 0.000 0.819 311 A HN 0.429 nan 8.150 nan 0.000 0.448 312 I N -0.421 120.144 120.570 -0.009 0.000 2.226 312 I HA -0.245 3.925 4.170 -0.000 0.000 0.245 312 I C 2.413 178.530 176.117 0.000 0.000 1.100 312 I CA 0.965 62.249 61.300 -0.027 0.000 1.374 312 I CB -0.352 37.653 38.000 0.008 0.000 1.057 312 I HN 0.315 nan 8.210 nan 0.000 0.413 313 L N 0.263 121.507 121.223 0.034 0.000 1.976 313 L HA -0.231 4.109 4.340 -0.000 0.000 0.209 313 L C 2.304 179.166 176.870 -0.013 0.000 1.071 313 L CA 1.484 56.344 54.840 0.034 0.000 0.746 313 L CB -0.872 41.208 42.059 0.035 0.000 0.890 313 L HN 0.263 nan 8.230 nan 0.000 0.432 314 D N -0.228 120.161 120.400 -0.019 0.000 2.123 314 D HA -0.214 4.426 4.640 -0.000 0.000 0.196 314 D C 2.252 178.528 176.300 -0.041 0.000 0.992 314 D CA 1.227 55.208 54.000 -0.031 0.000 0.833 314 D CB -0.138 40.647 40.800 -0.026 0.000 0.954 314 D HN 0.086 nan 8.370 nan 0.000 0.455 315 R N 0.569 121.044 120.500 -0.043 0.000 2.066 315 R HA -0.055 4.285 4.340 -0.000 0.000 0.232 315 R C 2.246 178.507 176.300 -0.065 0.000 1.131 315 R CA 0.752 56.820 56.100 -0.052 0.000 0.955 315 R CB -0.638 29.626 30.300 -0.060 0.000 0.851 315 R HN 0.014 nan 8.270 nan 0.000 0.432 316 V N 0.946 120.814 119.914 -0.076 0.000 2.358 316 V HA -0.187 3.933 4.120 -0.000 0.000 0.246 316 V C 2.244 178.270 176.094 -0.114 0.000 1.047 316 V CA 2.118 64.364 62.300 -0.091 0.000 1.035 316 V CB -0.553 31.231 31.823 -0.066 0.000 0.658 316 V HN 0.513 nan 8.190 nan 0.000 0.452 317 E N 0.337 120.466 120.200 -0.119 0.000 2.265 317 E HA -0.190 4.160 4.350 -0.000 0.000 0.196 317 E C 2.034 178.574 176.600 -0.101 0.000 0.996 317 E CA 1.234 57.542 56.400 -0.154 0.000 0.832 317 E CB -0.069 29.556 29.700 -0.125 0.000 0.756 317 E HN 0.593 nan 8.360 nan 0.000 0.491 318 A N 0.808 123.588 122.820 -0.067 0.000 1.984 318 A HA 0.009 4.329 4.320 -0.000 0.000 0.214 318 A C 2.081 179.651 177.584 -0.023 0.000 1.173 318 A CA 0.414 52.426 52.037 -0.041 0.000 0.673 318 A CB -0.051 18.929 19.000 -0.034 0.000 0.830 318 A HN -0.012 nan 8.150 nan 0.000 0.453 319 K N -0.614 119.772 120.400 -0.024 0.000 2.217 319 K HA 0.023 4.343 4.320 -0.000 0.000 0.202 319 K C 0.301 176.931 176.600 0.050 0.000 1.051 319 K CA 0.895 57.185 56.287 0.004 0.000 0.952 319 K CB -0.048 32.446 32.500 -0.010 0.000 0.736 319 K HN 0.408 nan 8.250 nan 0.000 0.453 320 L N 1.734 122.985 121.223 0.046 0.000 2.959 320 L HA 0.092 4.432 4.340 -0.000 0.000 0.259 320 L C -0.197 176.729 176.870 0.094 0.000 1.185 320 L CA -0.137 54.800 54.840 0.161 0.000 0.998 320 L CB -0.491 41.691 42.059 0.205 0.000 1.337 320 L HN 0.156 nan 8.230 nan 0.000 0.555 321 N N 0.812 119.522 118.700 0.017 0.000 2.722 321 N HA -0.263 4.477 4.740 -0.000 0.000 0.274 321 N C -0.448 175.045 175.510 -0.030 0.000 0.987 321 N CA 0.501 53.543 53.050 -0.013 0.000 0.817 321 N CB -1.418 37.068 38.487 -0.001 0.000 0.921 321 N HN 0.416 nan 8.380 nan 0.000 0.565 322 L N 0.613 121.776 121.223 -0.100 0.000 2.439 322 L HA 0.138 4.478 4.340 -0.000 0.000 0.269 322 L C 1.375 178.185 176.870 -0.099 0.000 1.179 322 L CA -0.561 54.187 54.840 -0.153 0.000 0.828 322 L CB 0.345 42.159 42.059 -0.408 0.000 1.106 322 L HN 0.300 nan 8.230 nan 0.000 0.467 323 D N 2.264 122.629 120.400 -0.058 0.000 2.369 323 D HA 0.033 4.673 4.640 -0.000 0.000 0.241 323 D C -1.997 174.280 176.300 -0.039 0.000 1.271 323 D CA -1.339 52.642 54.000 -0.030 0.000 0.942 323 D CB 0.239 41.038 40.800 -0.001 0.000 1.129 323 D HN 0.285 nan 8.370 nan 0.000 0.476 324 P HA -0.114 nan 4.420 nan 0.000 0.222 324 P C 1.384 178.687 177.300 0.004 0.000 1.147 324 P CA 1.269 64.362 63.100 -0.011 0.000 0.790 324 P CB 0.053 31.753 31.700 -0.002 0.000 0.780 325 T N -1.183 113.382 114.554 0.017 0.000 2.896 325 T HA -0.073 4.277 4.350 -0.000 0.000 0.263 325 T C 1.749 176.486 174.700 0.061 0.000 1.050 325 T CA 0.957 63.083 62.100 0.044 0.000 1.140 325 T CB -0.440 68.463 68.868 0.059 0.000 0.877 325 T HN -0.126 nan 8.240 nan 0.000 0.457 326 K N 1.416 121.838 120.400 0.036 0.000 2.052 326 K HA -0.055 4.265 4.320 -0.000 0.000 0.215 326 K C 1.777 178.430 176.600 0.088 0.000 1.053 326 K CA 1.245 57.563 56.287 0.050 0.000 0.934 326 K CB -0.877 31.502 32.500 -0.202 0.000 0.717 326 K HN 0.425 nan 8.250 nan 0.000 0.450 327 L N 1.272 122.508 121.223 0.022 0.000 2.737 327 L HA 0.165 4.505 4.340 -0.000 0.000 0.236 327 L C 1.758 178.679 176.870 0.085 0.000 1.219 327 L CA -0.274 54.605 54.840 0.065 0.000 1.021 327 L CB -0.240 41.829 42.059 0.016 0.000 1.291 327 L HN 0.067 nan 8.230 nan 0.000 0.470 328 I N 0.880 121.506 120.570 0.094 0.000 2.193 328 I HA -0.139 4.031 4.170 -0.000 0.000 0.240 328 I C -0.174 176.024 176.117 0.137 0.000 1.084 328 I CA 1.259 62.621 61.300 0.103 0.000 1.365 328 I CB -1.076 36.978 38.000 0.090 0.000 1.064 328 I HN 0.240 nan 8.210 nan 0.000 0.410 329 P HA -0.119 nan 4.420 nan 0.000 0.216 329 P C 1.645 179.048 177.300 0.172 0.000 1.153 329 P CA 1.559 64.733 63.100 0.123 0.000 0.848 329 P CB -0.084 31.677 31.700 0.101 0.000 0.787 330 T N -0.465 114.182 114.554 0.154 0.000 2.684 330 T HA -0.157 4.193 4.350 -0.000 0.000 0.267 330 T C 1.762 176.538 174.700 0.126 0.000 1.036 330 T CA 1.367 63.550 62.100 0.137 0.000 1.148 330 T CB -0.561 68.386 68.868 0.131 0.000 0.863 330 T HN 0.169 nan 8.240 nan 0.000 0.436 331 R N -0.064 120.505 120.500 0.115 0.000 2.148 331 R HA -0.041 4.299 4.340 -0.000 0.000 0.227 331 R C 2.454 178.816 176.300 0.103 0.000 1.103 331 R CA 0.834 56.984 56.100 0.082 0.000 0.983 331 R CB -0.351 29.984 30.300 0.058 0.000 0.874 331 R HN 0.499 nan 8.270 nan 0.000 0.451 332 H N 0.692 119.801 119.070 0.065 0.000 2.293 332 H HA -0.069 4.487 4.556 -0.000 0.000 0.300 332 H C 1.900 177.293 175.328 0.107 0.000 1.082 332 H CA 1.785 57.878 56.048 0.074 0.000 1.308 332 H CB 0.150 29.969 29.762 0.095 0.000 1.375 332 H HN -0.028 nan 8.280 nan 0.000 0.495 333 V N 1.713 121.840 119.914 0.355 0.000 2.295 333 V HA -0.289 3.830 4.120 -0.000 0.000 0.246 333 V C 2.986 179.225 176.094 0.242 0.000 1.049 333 V CA 1.984 64.530 62.300 0.409 0.000 1.024 333 V CB -0.690 31.336 31.823 0.337 0.000 0.648 333 V HN 0.429 nan 8.190 nan 0.000 0.447 334 M N -0.307 119.357 119.600 0.107 0.000 2.159 334 M HA -0.192 4.288 4.480 -0.000 0.000 0.263 334 M C 2.358 178.647 176.300 -0.018 0.000 1.063 334 M CA 2.398 57.712 55.300 0.023 0.000 1.110 334 M CB -0.193 32.399 32.600 -0.012 0.000 1.374 334 M HN 0.400 nan 8.290 nan 0.000 0.411 335 S N -0.100 115.573 115.700 -0.044 0.000 2.368 335 S HA -0.208 4.262 4.470 -0.000 0.000 0.224 335 S C 1.816 176.313 174.600 -0.172 0.000 1.029 335 S CA 1.787 59.922 58.200 -0.109 0.000 0.988 335 S CB -0.324 62.798 63.200 -0.130 0.000 0.838 335 S HN 0.717 nan 8.310 nan 0.000 0.462 336 E N -1.707 118.350 120.200 -0.238 0.000 2.230 336 E HA -0.046 4.304 4.350 -0.000 0.000 0.192 336 E C 1.008 177.299 176.600 -0.515 0.000 0.987 336 E CA 0.850 56.993 56.400 -0.429 0.000 0.841 336 E CB 0.032 29.372 29.700 -0.599 0.000 0.783 336 E HN 0.741 nan 8.360 nan 0.000 0.481 337 Y N -1.133 119.163 120.300 -0.006 0.000 2.526 337 Y HA 0.349 4.898 4.550 -0.000 0.000 0.265 337 Y C 1.133 176.990 175.900 -0.071 0.000 1.092 337 Y CA 0.284 58.372 58.100 -0.020 0.000 1.277 337 Y CB 1.077 39.426 38.460 -0.186 0.000 1.228 337 Y HN 0.164 nan 8.280 nan 0.000 0.507 338 G N 1.273 110.100 108.800 0.046 0.000 2.568 338 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.222 338 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.222 338 G C -0.807 174.084 174.900 -0.015 0.000 1.321 338 G CA -0.355 44.735 45.100 -0.016 0.000 0.893 338 G HN 0.281 nan 8.290 nan 0.000 0.569 339 N N 0.849 119.537 118.700 -0.019 0.000 2.558 339 N HA 0.501 5.240 4.740 -0.000 0.000 0.233 339 N C 0.819 176.443 175.510 0.190 0.000 1.038 339 N CA -0.306 52.762 53.050 0.030 0.000 0.934 339 N CB -0.015 38.453 38.487 -0.031 0.000 1.175 339 N HN 0.479 nan 8.380 nan 0.000 0.512 340 M N 2.274 121.927 119.600 0.089 0.000 3.057 340 M HA 0.074 4.554 4.480 -0.000 0.000 0.246 340 M C 1.091 177.452 176.300 0.102 0.000 1.289 340 M CA -0.223 55.111 55.300 0.056 0.000 1.161 340 M CB -0.572 31.946 32.600 -0.137 0.000 1.302 340 M HN 0.656 nan 8.290 nan 0.000 0.483 341 S N 1.271 117.110 115.700 0.231 0.000 4.046 341 S HA -0.343 4.127 4.470 -0.000 0.000 0.572 341 S C 1.608 176.260 174.600 0.086 0.000 2.022 341 S CA 2.453 60.758 58.200 0.175 0.000 4.201 341 S CB -1.193 62.000 63.200 -0.012 0.000 0.438 341 S HN 0.769 nan 8.310 nan 0.000 0.618 342 S N 1.776 117.449 115.700 -0.045 0.000 2.400 342 S HA 0.000 4.470 4.470 -0.000 0.000 0.232 342 S C 2.098 176.703 174.600 0.009 0.000 1.025 342 S CA 2.131 60.284 58.200 -0.078 0.000 0.993 342 S CB -1.233 61.891 63.200 -0.127 0.000 0.808 342 S HN 1.584 nan 8.310 nan 0.000 0.478 343 A N 0.990 123.852 122.820 0.070 0.000 1.930 343 A HA 0.005 4.325 4.320 -0.000 0.000 0.217 343 A C 2.497 180.205 177.584 0.207 0.000 1.175 343 A CA 1.182 53.339 52.037 0.201 0.000 0.627 343 A CB -1.631 17.494 19.000 0.209 0.000 0.815 343 A HN 0.705 nan 8.150 nan 0.000 0.443 344 C N -0.739 118.612 119.300 0.085 0.000 2.271 344 C HA -0.275 4.185 4.460 -0.000 0.000 0.269 344 C C 2.779 177.805 174.990 0.059 0.000 1.131 344 C CA 2.098 61.150 59.018 0.055 0.000 1.794 344 C CB -1.705 26.083 27.740 0.080 0.000 1.930 344 C HN 0.801 nan 8.230 nan 0.000 0.417 345 V N -0.278 119.600 119.914 -0.060 0.000 2.527 345 V HA -0.284 3.836 4.120 -0.000 0.000 0.255 345 V C 2.184 178.159 176.094 -0.199 0.000 1.081 345 V CA 2.678 64.879 62.300 -0.166 0.000 1.092 345 V CB -1.156 30.495 31.823 -0.286 0.000 0.673 345 V HN 0.657 nan 8.190 nan 0.000 0.470 346 H N -0.915 118.187 119.070 0.055 0.000 2.403 346 H HA 0.119 4.675 4.556 -0.000 0.000 0.298 346 H C 2.107 177.435 175.328 0.001 0.000 1.059 346 H CA 1.669 57.712 56.048 -0.008 0.000 1.363 346 H CB -0.452 29.288 29.762 -0.038 0.000 1.410 346 H HN 0.547 nan 8.280 nan 0.000 0.528 347 F N 0.928 120.874 119.950 -0.008 0.000 2.216 347 F HA -0.096 4.431 4.527 -0.000 0.000 0.300 347 F C 2.500 178.298 175.800 -0.005 0.000 1.085 347 F CA 0.729 58.689 58.000 -0.066 0.000 1.326 347 F CB -0.349 38.532 39.000 -0.199 0.000 1.027 347 F HN 0.054 nan 8.300 nan 0.000 0.497 348 I N -0.969 119.710 120.570 0.181 0.000 2.353 348 I HA -0.259 3.911 4.170 -0.000 0.000 0.248 348 I C 2.244 178.390 176.117 0.048 0.000 1.119 348 I CA 0.923 62.293 61.300 0.117 0.000 1.417 348 I CB -0.423 37.630 38.000 0.087 0.000 1.078 348 I HN 0.098 nan 8.210 nan 0.000 0.421 349 L N 0.441 121.658 121.223 -0.011 0.000 2.056 349 L HA -0.248 4.092 4.340 -0.000 0.000 0.207 349 L C 2.226 179.109 176.870 0.022 0.000 1.078 349 L CA 1.570 56.341 54.840 -0.115 0.000 0.749 349 L CB -0.508 41.430 42.059 -0.202 0.000 0.901 349 L HN 0.256 nan 8.230 nan 0.000 0.433 350 D N -0.555 119.865 120.400 0.034 0.000 2.117 350 D HA -0.265 4.375 4.640 -0.000 0.000 0.197 350 D C 2.146 178.472 176.300 0.044 0.000 0.987 350 D CA 1.121 55.142 54.000 0.034 0.000 0.829 350 D CB 0.139 40.901 40.800 -0.063 0.000 0.961 350 D HN 0.123 nan 8.370 nan 0.000 0.460 351 Q N -0.348 119.481 119.800 0.048 0.000 2.167 351 Q HA -0.068 4.272 4.340 -0.000 0.000 0.202 351 Q C 1.841 177.845 176.000 0.006 0.000 0.970 351 Q CA 1.740 57.553 55.803 0.016 0.000 0.855 351 Q CB -0.578 28.175 28.738 0.025 0.000 0.911 351 Q HN 0.200 nan 8.270 nan 0.000 0.438 352 T N 1.002 115.583 114.554 0.045 0.000 2.668 352 T HA -0.185 4.165 4.350 -0.000 0.000 0.262 352 T C 1.557 176.297 174.700 0.067 0.000 1.045 352 T CA 1.781 63.913 62.100 0.054 0.000 1.152 352 T CB -0.351 68.550 68.868 0.055 0.000 0.864 352 T HN 0.613 nan 8.240 nan 0.000 0.419 353 R N 1.433 122.028 120.500 0.157 0.000 2.200 353 R HA -0.027 4.313 4.340 -0.000 0.000 0.234 353 R C 2.033 178.335 176.300 0.004 0.000 1.127 353 R CA 1.384 57.530 56.100 0.077 0.000 0.989 353 R CB -0.206 30.153 30.300 0.099 0.000 0.869 353 R HN 0.300 nan 8.270 nan 0.000 0.459 354 K N 0.623 121.030 120.400 0.012 0.000 2.067 354 K HA 0.096 4.416 4.320 -0.000 0.000 0.203 354 K C 2.339 178.926 176.600 -0.020 0.000 1.048 354 K CA 0.959 57.241 56.287 -0.009 0.000 0.954 354 K CB -0.093 32.404 32.500 -0.007 0.000 0.737 354 K HN 0.243 nan 8.250 nan 0.000 0.444 355 A N 1.351 124.154 122.820 -0.028 0.000 1.908 355 A HA -0.196 4.124 4.320 -0.000 0.000 0.218 355 A C 2.199 179.773 177.584 -0.018 0.000 1.181 355 A CA 1.995 54.015 52.037 -0.029 0.000 0.627 355 A CB -0.675 18.305 19.000 -0.032 0.000 0.818 355 A HN 0.181 nan 8.150 nan 0.000 0.445 356 S N -0.075 115.612 115.700 -0.021 0.000 2.377 356 S HA -0.182 4.288 4.470 -0.000 0.000 0.224 356 S C 1.858 176.439 174.600 -0.031 0.000 1.042 356 S CA 1.571 59.752 58.200 -0.032 0.000 1.086 356 S CB -0.472 62.691 63.200 -0.061 0.000 0.995 356 S HN 0.408 nan 8.310 nan 0.000 0.428 357 L N 1.784 122.986 121.223 -0.035 0.000 1.971 357 L HA -0.199 4.141 4.340 -0.000 0.000 0.215 357 L C 2.601 179.460 176.870 -0.018 0.000 1.072 357 L CA 1.830 56.652 54.840 -0.030 0.000 0.758 357 L CB -1.780 40.262 42.059 -0.028 0.000 0.889 357 L HN 0.455 nan 8.230 nan 0.000 0.433 358 Q N -0.284 119.509 119.800 -0.013 0.000 1.998 358 Q HA -0.240 4.099 4.340 -0.000 0.000 0.209 358 Q C 1.568 177.567 176.000 -0.003 0.000 1.002 358 Q CA 1.935 57.735 55.803 -0.005 0.000 0.858 358 Q CB -0.288 28.449 28.738 -0.002 0.000 0.932 358 Q HN 0.555 nan 8.270 nan 0.000 0.416 359 N N -0.162 118.536 118.700 -0.003 0.000 2.609 359 N HA -0.004 4.736 4.740 -0.000 0.000 0.190 359 N C 0.413 175.923 175.510 -0.001 0.000 1.157 359 N CA 1.057 54.108 53.050 0.002 0.000 0.918 359 N CB -0.117 38.373 38.487 0.006 0.000 0.978 359 N HN 0.441 nan 8.380 nan 0.000 0.448 360 G N 0.528 109.324 108.800 -0.007 0.000 2.350 360 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.298 360 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.298 360 G C 0.080 174.974 174.900 -0.009 0.000 1.037 360 G CA 0.100 45.195 45.100 -0.009 0.000 1.074 360 G HN 0.403 nan 8.290 nan 0.000 0.511 361 C N 0.130 119.421 119.300 -0.015 0.000 2.459 361 C HA 0.612 5.072 4.460 -0.000 0.000 0.374 361 C C 2.211 177.188 174.990 -0.022 0.000 1.241 361 C CA 0.185 59.195 59.018 -0.013 0.000 2.352 361 C CB 1.406 29.137 27.740 -0.016 0.000 2.490 361 C HN 1.024 nan 8.230 nan 0.000 0.583 362 S N 0.066 115.757 115.700 -0.014 0.000 2.522 362 S HA -0.011 4.459 4.470 -0.000 0.000 0.227 362 S C 0.551 175.131 174.600 -0.034 0.000 0.986 362 S CA 0.687 58.877 58.200 -0.018 0.000 0.929 362 S CB -0.185 63.012 63.200 -0.004 0.000 0.769 362 S HN 0.825 nan 8.310 nan 0.000 0.529 363 T N 1.126 115.652 114.554 -0.046 0.000 2.903 363 T HA 0.465 4.815 4.350 -0.000 0.000 0.299 363 T C 0.866 175.480 174.700 -0.143 0.000 1.093 363 T CA -0.049 62.001 62.100 -0.082 0.000 1.002 363 T CB 1.905 70.747 68.868 -0.042 0.000 1.127 363 T HN 0.294 nan 8.240 nan 0.000 0.488 364 T N -0.495 113.915 114.554 -0.240 0.000 3.163 364 T HA 0.149 4.499 4.350 -0.000 0.000 0.260 364 T C 1.343 175.857 174.700 -0.310 0.000 1.156 364 T CA 0.604 62.511 62.100 -0.321 0.000 1.072 364 T CB -0.124 68.374 68.868 -0.617 0.000 0.937 364 T HN 0.602 nan 8.240 nan 0.000 0.528 365 G N 0.831 109.394 108.800 -0.394 0.000 3.959 365 G HA2 0.404 4.364 3.960 -0.000 0.000 0.298 365 G HA3 0.404 4.364 3.960 -0.000 0.000 0.298 365 G C -0.221 174.516 174.900 -0.271 0.000 1.211 365 G CA -0.766 43.868 45.100 -0.778 0.000 1.001 365 G HN 0.517 nan 8.290 nan 0.000 0.561 366 E N -1.043 119.084 120.200 -0.121 0.000 2.271 366 E HA -0.251 4.099 4.350 -0.000 0.000 0.223 366 E C 1.512 178.129 176.600 0.029 0.000 1.223 366 E CA 0.481 56.872 56.400 -0.014 0.000 0.704 366 E CB -1.396 28.328 29.700 0.039 0.000 1.194 366 E HN 1.114 nan 8.360 nan 0.000 0.375 367 G N -1.448 107.357 108.800 0.008 0.000 2.320 367 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.242 367 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.242 367 G C 0.229 175.176 174.900 0.080 0.000 1.033 367 G CA 0.243 45.366 45.100 0.038 0.000 0.620 367 G HN 0.211 nan 8.290 nan 0.000 0.517 368 L N 1.394 122.706 121.223 0.148 0.000 2.418 368 L HA 0.549 4.889 4.340 -0.000 0.000 0.265 368 L C 1.597 178.622 176.870 0.259 0.000 1.143 368 L CA 0.365 55.342 54.840 0.229 0.000 0.809 368 L CB 1.090 43.363 42.059 0.357 0.000 1.124 368 L HN 0.369 nan 8.230 nan 0.000 0.456 369 E N 1.301 121.622 120.200 0.201 0.000 2.021 369 E HA 0.053 4.403 4.350 -0.000 0.000 0.189 369 E C 0.097 176.849 176.600 0.254 0.000 0.980 369 E CA 1.132 57.637 56.400 0.174 0.000 0.803 369 E CB -0.017 29.740 29.700 0.095 0.000 0.766 369 E HN 0.466 nan 8.360 nan 0.000 0.449 370 M N -0.077 119.608 119.600 0.143 0.000 2.644 370 M HA 0.617 5.096 4.480 -0.000 0.000 0.316 370 M C 0.037 176.028 176.300 -0.515 0.000 1.200 370 M CA -0.592 54.693 55.300 -0.026 0.000 0.944 370 M CB 2.300 34.881 32.600 -0.032 0.000 1.691 370 M HN 0.186 nan 8.290 nan 0.000 0.471 371 G N 0.165 108.359 108.800 -1.009 0.000 2.687 371 G HA2 0.673 4.633 3.960 -0.000 0.000 0.291 371 G HA3 0.673 4.633 3.960 -0.000 0.000 0.291 371 G C -2.261 172.156 174.900 -0.806 0.000 1.420 371 G CA -0.522 43.559 45.100 -1.698 0.000 0.796 371 G HN 0.583 nan 8.290 nan 0.000 0.485 372 V N -0.164 119.269 119.914 -0.802 0.000 2.789 372 V HA 0.833 4.953 4.120 -0.000 0.000 0.311 372 V C -1.270 174.501 176.094 -0.540 0.000 1.073 372 V CA -0.910 61.028 62.300 -0.604 0.000 0.921 372 V CB 1.750 33.139 31.823 -0.723 0.000 1.009 372 V HN 0.887 nan 8.190 nan 0.000 0.426 373 L N 5.716 126.629 121.223 -0.515 0.000 2.341 373 L HA 0.743 5.083 4.340 -0.000 0.000 0.278 373 L C -1.740 174.824 176.870 -0.509 0.000 1.005 373 L CA -0.276 54.351 54.840 -0.355 0.000 0.818 373 L CB 1.665 43.569 42.059 -0.259 0.000 1.259 373 L HN 0.651 nan 8.230 nan 0.000 0.418 374 F N 2.237 122.094 119.950 -0.156 0.000 2.546 374 F HA 0.798 5.325 4.527 -0.000 0.000 0.320 374 F C 0.559 176.093 175.800 -0.444 0.000 1.076 374 F CA -0.662 57.180 58.000 -0.263 0.000 0.928 374 F CB 2.388 41.241 39.000 -0.246 0.000 1.189 374 F HN 0.440 nan 8.300 nan 0.000 0.465 375 G N 2.248 110.918 108.800 -0.216 0.000 2.687 375 G HA2 0.645 4.605 3.960 -0.000 0.000 0.301 375 G HA3 0.645 4.605 3.960 -0.000 0.000 0.301 375 G C -2.053 172.741 174.900 -0.176 0.000 1.416 375 G CA -0.416 44.530 45.100 -0.257 0.000 1.005 375 G HN 0.244 nan 8.290 nan 0.000 0.509 376 F N 0.799 120.847 119.950 0.163 0.000 2.532 376 F HA 0.908 5.435 4.527 -0.000 0.000 0.321 376 F C 0.706 176.624 175.800 0.198 0.000 1.089 376 F CA -0.977 57.132 58.000 0.181 0.000 0.926 376 F CB 2.509 41.623 39.000 0.189 0.000 1.168 376 F HN 0.821 nan 8.300 nan 0.000 0.459 377 G N 0.683 109.782 108.800 0.498 0.000 2.489 377 G HA2 0.535 4.495 3.960 -0.000 0.000 0.305 377 G HA3 0.535 4.495 3.960 -0.000 0.000 0.305 377 G C -3.372 171.800 174.900 0.453 0.000 1.311 377 G CA -1.363 44.040 45.100 0.504 0.000 0.813 377 G HN 0.243 nan 8.290 nan 0.000 0.480 378 P HA 0.241 nan 4.420 nan 0.000 0.261 378 P C 0.764 178.217 177.300 0.254 0.000 1.165 378 P CA 1.736 65.012 63.100 0.294 0.000 0.759 378 P CB 0.932 32.793 31.700 0.269 0.000 0.772 379 G N 2.463 111.344 108.800 0.136 0.000 4.314 379 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.131 379 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.131 379 G C -0.788 174.131 174.900 0.032 0.000 1.870 379 G CA -0.329 44.806 45.100 0.060 0.000 0.933 379 G HN 0.582 nan 8.290 nan 0.000 0.294 380 L N 3.730 124.970 121.223 0.029 0.000 2.325 380 L HA 0.670 5.010 4.340 -0.000 0.000 0.284 380 L C 0.747 177.620 176.870 0.006 0.000 1.089 380 L CA 0.402 55.271 54.840 0.050 0.000 0.836 380 L CB 0.738 42.824 42.059 0.046 0.000 1.184 380 L HN 0.545 nan 8.230 nan 0.000 0.444 381 T N 3.839 118.370 114.554 -0.038 0.000 2.907 381 T HA 0.652 5.002 4.350 -0.000 0.000 0.284 381 T C -0.096 174.560 174.700 -0.073 0.000 1.004 381 T CA -0.625 61.360 62.100 -0.193 0.000 1.063 381 T CB 0.791 69.296 68.868 -0.605 0.000 0.992 381 T HN 0.487 nan 8.240 nan 0.000 0.483 382 I N 2.545 123.105 120.570 -0.016 0.000 2.436 382 I HA 0.364 4.534 4.170 -0.000 0.000 0.289 382 I C 0.041 176.226 176.117 0.113 0.000 1.010 382 I CA -0.873 60.537 61.300 0.183 0.000 1.098 382 I CB 1.873 40.032 38.000 0.266 0.000 1.266 382 I HN 0.606 nan 8.210 nan 0.000 0.434 383 E N 4.996 125.280 120.200 0.140 0.000 2.134 383 E HA 0.365 4.715 4.350 -0.000 0.000 0.278 383 E C -0.857 175.784 176.600 0.069 0.000 0.959 383 E CA -0.366 56.066 56.400 0.053 0.000 0.783 383 E CB 2.125 31.847 29.700 0.036 0.000 1.095 383 E HN 0.442 nan 8.360 nan 0.000 0.399 384 T N 1.994 116.534 114.554 -0.022 0.000 2.779 384 T HA 0.392 4.742 4.350 -0.000 0.000 0.280 384 T C -0.218 174.328 174.700 -0.258 0.000 0.987 384 T CA -0.504 61.454 62.100 -0.236 0.000 0.966 384 T CB 1.309 70.166 68.868 -0.018 0.000 0.933 384 T HN 0.079 nan 8.240 nan 0.000 0.442 385 V N 4.007 123.692 119.914 -0.381 0.000 2.531 385 V HA 0.388 4.508 4.120 -0.000 0.000 0.301 385 V C -0.230 175.696 176.094 -0.280 0.000 1.034 385 V CA -0.795 61.349 62.300 -0.260 0.000 0.865 385 V CB 2.055 33.740 31.823 -0.229 0.000 0.995 385 V HN 0.702 nan 8.190 nan 0.000 0.424 386 V N 6.951 126.759 119.914 -0.177 0.000 2.364 386 V HA 0.410 4.530 4.120 -0.000 0.000 0.272 386 V C 0.086 176.050 176.094 -0.216 0.000 1.036 386 V CA -0.192 61.962 62.300 -0.243 0.000 0.880 386 V CB 1.227 32.858 31.823 -0.320 0.000 0.991 386 V HN 0.598 nan 8.190 nan 0.000 0.460 387 L N 4.963 126.062 121.223 -0.206 0.000 2.375 387 L HA 0.654 4.994 4.340 -0.000 0.000 0.268 387 L C 0.153 177.014 176.870 -0.015 0.000 1.058 387 L CA -0.742 54.048 54.840 -0.085 0.000 0.803 387 L CB 1.453 43.540 42.059 0.047 0.000 1.212 387 L HN 0.382 nan 8.230 nan 0.000 0.451 388 K N 1.381 121.837 120.400 0.094 0.000 2.376 388 K HA 0.351 4.670 4.320 -0.000 0.000 0.257 388 K C -0.642 176.132 176.600 0.290 0.000 0.939 388 K CA -0.204 56.151 56.287 0.113 0.000 0.809 388 K CB 2.067 34.540 32.500 -0.044 0.000 1.121 388 K HN 0.604 nan 8.250 nan 0.000 0.425 389 S N 1.484 117.380 115.700 0.327 0.000 2.634 389 S HA 0.497 4.967 4.470 -0.000 0.000 0.261 389 S C -0.369 174.216 174.600 -0.025 0.000 1.271 389 S CA -0.561 57.723 58.200 0.140 0.000 0.985 389 S CB 0.578 63.855 63.200 0.128 0.000 0.968 389 S HN 0.347 nan 8.310 nan 0.000 0.568 390 V N 0.479 120.287 119.914 -0.177 0.000 2.789 390 V HA 0.782 4.901 4.120 -0.000 0.000 0.311 390 V C -2.843 173.171 176.094 -0.134 0.000 1.073 390 V CA -2.493 59.722 62.300 -0.141 0.000 0.921 390 V CB 1.614 33.322 31.823 -0.192 0.000 1.009 390 V HN 0.791 nan 8.190 nan 0.000 0.426 391 P HA 0.455 nan 4.420 nan 0.000 0.278 391 P C -0.623 176.632 177.300 -0.075 0.000 1.238 391 P CA -0.178 62.884 63.100 -0.064 0.000 0.794 391 P CB 1.365 33.045 31.700 -0.033 0.000 0.955 392 I N 2.470 123.000 120.570 -0.067 0.000 2.353 392 I HA 0.309 4.479 4.170 -0.000 0.000 0.293 392 I C 0.409 176.502 176.117 -0.041 0.000 0.992 392 I CA 0.042 61.304 61.300 -0.063 0.000 1.268 392 I CB 0.953 38.914 38.000 -0.065 0.000 1.387 392 I HN 0.435 nan 8.210 nan 0.000 0.478 393 Q N 0.000 119.778 119.800 -0.037 0.000 2.315 393 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 393 Q CA 0.000 55.787 55.803 -0.027 0.000 1.022 393 Q CB 0.000 28.725 28.738 -0.021 0.000 1.108 393 Q HN 0.000 nan 8.270 nan 0.000 0.481