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 1r7a_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKNKVQLITY ADRLGDGTIK SMTDILRTRF DGVYDGVHIL PFFTPFDGAD DATA SEQUENCE AGFDPIDHTK VDERLGSWDD VAELSKTHNI MVDAIVNHMS WESKQFQDVL DATA SEQUENCE AKGEESEYYP MFLTMSSVFP NGATEEDLAG IYRPRPGLPF THYKFAGKTR DATA SEQUENCE LVWVSFTPQQ VDIDTDSDKG WEYLMSIFDQ MAASHVSYIR LDAVGYGAKE DATA SEQUENCE AGTSCFMTPK TFKLISRLRE EGVKRGLEIL IEVHSYYKKQ VEIASKVDRV DATA SEQUENCE YDFALPPLLL HALSTGHVEP VAHWTDIRPN NAVTVLDTHD GIGVIDIGSD DATA SEQUENCE QLDRSLKGLV PDEDVDNLVN TIHANTHGES QAATGAAASN LDLYQVNSTY DATA SEQUENCE YSALGXNDQH YIAARAVQFF LPGVPQVYYV GALAGKNDME LLRKTNNGRD DATA SEQUENCE INRHYYSTAE IDENLKRPVV KALNALAKFR NELDAFDGTF SYTTDDDTSI DATA SEQUENCE SFTWRGETSQ ATLTFEPKRG LGVDNTTPVA MLEWEDSAGD HRSDDLIANP DATA SEQUENCE PVVA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.233 176.300 -0.111 0.000 1.140 1 M CA 0.000 55.189 55.300 -0.185 0.000 0.988 1 M CB 0.000 32.277 32.600 -0.538 0.000 1.302 2 K N 2.580 122.983 120.400 0.005 0.000 2.484 2 K HA 0.045 4.365 4.320 0.001 0.000 0.280 2 K C 0.006 176.533 176.600 -0.120 0.000 1.013 2 K CA 0.182 56.451 56.287 -0.029 0.000 1.029 2 K CB 0.087 32.602 32.500 0.025 0.000 0.902 2 K HN 0.578 nan 8.250 nan 0.000 0.481 3 N N 3.474 122.089 118.700 -0.142 0.000 3.243 3 N HA -0.024 4.717 4.740 0.001 0.000 0.310 3 N C -1.043 174.318 175.510 -0.249 0.000 1.313 3 N CA 0.120 53.046 53.050 -0.207 0.000 1.204 3 N CB 0.052 38.417 38.487 -0.204 0.000 1.483 3 N HN 0.204 nan 8.380 nan 0.000 0.553 4 K N -0.152 120.114 120.400 -0.222 0.000 2.385 4 K HA 0.358 4.679 4.320 0.001 0.000 0.248 4 K C -0.564 175.893 176.600 -0.238 0.000 0.955 4 K CA -0.958 55.184 56.287 -0.241 0.000 0.816 4 K CB 1.783 34.186 32.500 -0.161 0.000 1.250 4 K HN -0.174 nan 8.250 nan 0.000 0.434 5 V N 2.674 122.409 119.914 -0.298 0.000 2.599 5 V HA -0.022 4.099 4.120 0.001 0.000 0.300 5 V C 0.450 176.556 176.094 0.020 0.000 1.034 5 V CA 0.143 62.305 62.300 -0.230 0.000 1.115 5 V CB -0.030 31.587 31.823 -0.343 0.000 0.934 5 V HN 0.564 nan 8.190 nan 0.000 0.485 6 Q N 2.961 122.787 119.800 0.043 0.000 2.301 6 Q HA 0.684 5.025 4.340 0.001 0.000 0.267 6 Q C -0.975 175.005 176.000 -0.033 0.000 1.035 6 Q CA -0.977 54.869 55.803 0.073 0.000 0.856 6 Q CB 2.671 31.434 28.738 0.041 0.000 1.337 6 Q HN 0.609 nan 8.270 nan 0.000 0.450 7 L N 1.798 122.912 121.223 -0.181 0.000 2.309 7 L HA 0.523 4.863 4.340 0.001 0.000 0.282 7 L C -1.366 175.386 176.870 -0.196 0.000 1.036 7 L CA -0.232 54.319 54.840 -0.482 0.000 0.806 7 L CB 1.149 42.742 42.059 -0.777 0.000 1.220 7 L HN 0.550 nan 8.230 nan 0.000 0.429 8 I N 4.352 124.850 120.570 -0.121 0.000 2.339 8 I HA 0.502 4.673 4.170 0.001 0.000 0.290 8 I C -0.023 176.027 176.117 -0.111 0.000 0.994 8 I CA -0.143 61.143 61.300 -0.023 0.000 1.191 8 I CB 1.588 39.711 38.000 0.206 0.000 1.343 8 I HN 0.632 nan 8.210 nan 0.000 0.458 9 T N 4.463 118.838 114.554 -0.299 0.000 2.853 9 T HA 0.470 4.820 4.350 0.001 0.000 0.311 9 T C -1.309 173.047 174.700 -0.573 0.000 1.307 9 T CA -0.420 61.398 62.100 -0.471 0.000 1.019 9 T CB 0.893 69.472 68.868 -0.483 0.000 1.264 9 T HN 0.204 nan 8.240 nan 0.000 0.497 10 Y N 1.562 121.524 120.300 -0.564 0.000 2.299 10 Y HA 0.545 5.096 4.550 0.001 0.000 0.326 10 Y C 1.455 177.083 175.900 -0.454 0.000 1.164 10 Y CA -0.039 57.808 58.100 -0.421 0.000 1.234 10 Y CB 1.142 39.370 38.460 -0.387 0.000 1.219 10 Y HN 0.820 nan 8.280 nan 0.000 0.497 11 A N 1.379 124.056 122.820 -0.238 0.000 2.015 11 A HA -0.150 4.171 4.320 0.001 0.000 0.219 11 A C 1.639 179.056 177.584 -0.278 0.000 1.163 11 A CA 1.753 53.605 52.037 -0.308 0.000 0.646 11 A CB -0.427 18.348 19.000 -0.374 0.000 0.806 11 A HN 0.856 nan 8.150 nan 0.000 0.448 12 D N -1.312 118.926 120.400 -0.270 0.000 2.360 12 D HA -0.015 4.626 4.640 0.001 0.000 0.210 12 D C 1.337 177.590 176.300 -0.079 0.000 1.047 12 D CA 0.104 53.984 54.000 -0.199 0.000 0.854 12 D CB -0.286 40.355 40.800 -0.266 0.000 0.936 12 D HN 0.460 nan 8.370 nan 0.000 0.514 13 R N -0.187 120.199 120.500 -0.190 0.000 2.393 13 R HA 0.266 4.607 4.340 0.001 0.000 0.244 13 R C -0.133 176.087 176.300 -0.134 0.000 0.920 13 R CA -0.284 55.690 56.100 -0.209 0.000 1.076 13 R CB 0.717 30.752 30.300 -0.442 0.000 1.119 13 R HN 0.028 nan 8.270 nan 0.000 0.524 14 L N 0.541 121.660 121.223 -0.173 0.000 2.454 14 L HA 0.499 4.840 4.340 0.001 0.000 0.258 14 L C -0.094 176.760 176.870 -0.028 0.000 1.025 14 L CA 0.287 55.081 54.840 -0.076 0.000 0.901 14 L CB 1.329 43.257 42.059 -0.218 0.000 1.210 14 L HN 0.309 nan 8.230 nan 0.000 0.457 15 G N 2.888 111.717 108.800 0.048 0.000 2.384 15 G HA2 -0.178 3.782 3.960 0.001 0.000 0.204 15 G HA3 -0.178 3.782 3.960 0.001 0.000 0.204 15 G C -0.069 174.842 174.900 0.018 0.000 1.237 15 G CA -0.081 45.035 45.100 0.027 0.000 1.060 15 G HN 0.344 nan 8.290 nan 0.000 0.514 16 D N 1.104 121.500 120.400 -0.007 0.000 2.348 16 D HA 0.295 4.935 4.640 0.001 0.000 0.216 16 D C 1.919 178.203 176.300 -0.027 0.000 0.970 16 D CA 2.313 56.306 54.000 -0.012 0.000 0.889 16 D CB 0.084 40.872 40.800 -0.020 0.000 0.912 16 D HN 1.912 nan 8.370 nan 0.000 0.524 17 G N 0.289 109.058 108.800 -0.051 0.000 2.227 17 G HA2 -0.176 3.785 3.960 0.001 0.000 0.168 17 G HA3 -0.176 3.785 3.960 0.001 0.000 0.168 17 G C 0.489 175.299 174.900 -0.151 0.000 1.006 17 G CA 0.232 45.285 45.100 -0.078 0.000 0.684 17 G HN 0.469 nan 8.290 nan 0.000 0.489 18 T N -1.891 112.574 114.554 -0.149 0.000 2.907 18 T HA 0.728 5.078 4.350 0.001 0.000 0.290 18 T C 1.470 176.045 174.700 -0.208 0.000 1.066 18 T CA -0.253 61.737 62.100 -0.184 0.000 1.012 18 T CB 1.801 70.588 68.868 -0.134 0.000 1.184 18 T HN 0.113 nan 8.240 nan 0.000 0.522 19 I N 0.506 120.929 120.570 -0.245 0.000 2.286 19 I HA -0.128 4.042 4.170 0.001 0.000 0.248 19 I C 2.730 178.724 176.117 -0.205 0.000 1.115 19 I CA 1.228 62.361 61.300 -0.277 0.000 1.392 19 I CB -0.335 37.460 38.000 -0.341 0.000 1.065 19 I HN 0.716 nan 8.210 nan 0.000 0.418 20 K N 0.198 120.504 120.400 -0.157 0.000 2.026 20 K HA -0.192 4.129 4.320 0.001 0.000 0.208 20 K C 2.411 178.950 176.600 -0.102 0.000 1.048 20 K CA 1.792 58.010 56.287 -0.115 0.000 0.929 20 K CB -0.257 32.192 32.500 -0.086 0.000 0.713 20 K HN 0.152 nan 8.250 nan 0.000 0.439 21 S N 0.768 116.408 115.700 -0.100 0.000 2.368 21 S HA -0.142 4.329 4.470 0.001 0.000 0.225 21 S C 1.934 176.484 174.600 -0.083 0.000 1.030 21 S CA 1.030 59.184 58.200 -0.077 0.000 0.999 21 S CB -0.122 63.037 63.200 -0.068 0.000 0.844 21 S HN 0.225 nan 8.310 nan 0.000 0.459 22 M N 1.284 120.808 119.600 -0.126 0.000 2.108 22 M HA -0.098 4.383 4.480 0.001 0.000 0.261 22 M C 1.953 178.170 176.300 -0.138 0.000 1.066 22 M CA 1.957 57.170 55.300 -0.144 0.000 1.107 22 M CB -1.757 30.713 32.600 -0.217 0.000 1.356 22 M HN 0.325 nan 8.290 nan 0.000 0.406 23 T N 0.355 114.817 114.554 -0.153 0.000 2.746 23 T HA -0.172 4.178 4.350 0.001 0.000 0.267 23 T C 1.355 176.005 174.700 -0.083 0.000 1.039 23 T CA 1.886 63.895 62.100 -0.151 0.000 1.142 23 T CB -0.454 68.332 68.868 -0.136 0.000 0.866 23 T HN 0.505 nan 8.240 nan 0.000 0.444 24 D N 0.712 121.078 120.400 -0.056 0.000 2.117 24 D HA -0.089 4.552 4.640 0.001 0.000 0.197 24 D C 1.994 178.295 176.300 0.003 0.000 0.987 24 D CA 0.728 54.714 54.000 -0.024 0.000 0.829 24 D CB -0.184 40.600 40.800 -0.026 0.000 0.961 24 D HN 0.143 nan 8.370 nan 0.000 0.460 25 I N 0.532 121.109 120.570 0.012 0.000 2.179 25 I HA -0.221 3.950 4.170 0.001 0.000 0.242 25 I C 2.493 178.714 176.117 0.173 0.000 1.088 25 I CA 0.904 62.249 61.300 0.075 0.000 1.357 25 I CB -1.081 36.980 38.000 0.103 0.000 1.051 25 I HN 0.248 nan 8.210 nan 0.000 0.409 26 L N 0.097 121.398 121.223 0.131 0.000 2.012 26 L HA -0.232 4.109 4.340 0.001 0.000 0.210 26 L C 2.817 179.822 176.870 0.224 0.000 1.073 26 L CA 1.543 56.496 54.840 0.188 0.000 0.748 26 L CB -0.470 41.495 42.059 -0.157 0.000 0.891 26 L HN 0.208 nan 8.230 nan 0.000 0.431 27 R N -0.879 119.699 120.500 0.130 0.000 2.115 27 R HA -0.096 4.245 4.340 0.001 0.000 0.226 27 R C 2.196 178.539 176.300 0.071 0.000 1.100 27 R CA 1.773 57.955 56.100 0.137 0.000 0.980 27 R CB -0.339 30.019 30.300 0.096 0.000 0.875 27 R HN 0.502 nan 8.270 nan 0.000 0.445 28 T N -2.606 111.968 114.554 0.033 0.000 3.037 28 T HA 0.167 4.518 4.350 0.001 0.000 0.252 28 T C 1.695 176.348 174.700 -0.078 0.000 1.073 28 T CA 0.123 62.214 62.100 -0.016 0.000 1.091 28 T CB 0.278 69.133 68.868 -0.022 0.000 0.935 28 T HN -0.028 nan 8.240 nan 0.000 0.488 29 R N -0.628 119.794 120.500 -0.131 0.000 2.316 29 R HA 0.477 4.818 4.340 0.001 0.000 0.201 29 R C -0.029 175.882 176.300 -0.648 0.000 0.888 29 R CA 0.181 56.032 56.100 -0.415 0.000 1.041 29 R CB 0.251 30.198 30.300 -0.588 0.000 1.115 29 R HN 0.403 nan 8.270 nan 0.000 0.559 30 F N -0.013 119.966 119.950 0.048 0.000 2.814 30 F HA 0.268 4.796 4.527 0.001 0.000 0.326 30 F C -0.224 175.592 175.800 0.027 0.000 1.159 30 F CA -1.514 56.514 58.000 0.047 0.000 1.234 30 F CB 0.300 39.412 39.000 0.187 0.000 1.016 30 F HN -0.185 nan 8.300 nan 0.000 0.510 31 D N 0.527 120.994 120.400 0.112 0.000 2.450 31 D HA 0.357 4.998 4.640 0.001 0.000 0.247 31 D C 1.383 177.690 176.300 0.011 0.000 1.162 31 D CA 1.880 55.922 54.000 0.069 0.000 0.879 31 D CB 0.784 41.599 40.800 0.025 0.000 1.163 31 D HN 0.521 nan 8.370 nan 0.000 0.472 32 G N 1.982 110.772 108.800 -0.017 0.000 2.205 32 G HA2 -0.306 3.654 3.960 0.001 0.000 0.261 32 G HA3 -0.306 3.654 3.960 0.001 0.000 0.261 32 G C 1.057 175.890 174.900 -0.112 0.000 0.980 32 G CA 0.387 45.447 45.100 -0.068 0.000 0.632 32 G HN 0.502 nan 8.290 nan 0.000 0.533 33 V N -0.875 118.967 119.914 -0.120 0.000 2.341 33 V HA 0.282 4.403 4.120 0.001 0.000 0.240 33 V C 0.898 176.671 176.094 -0.535 0.000 1.035 33 V CA 1.399 63.494 62.300 -0.340 0.000 1.033 33 V CB -0.216 31.409 31.823 -0.331 0.000 0.678 33 V HN 0.295 nan 8.190 nan 0.000 0.464 34 Y N 0.689 121.024 120.300 0.058 0.000 2.345 34 Y HA 0.452 5.003 4.550 0.001 0.000 0.331 34 Y C 0.460 176.407 175.900 0.078 0.000 0.959 34 Y CA -1.627 56.483 58.100 0.016 0.000 1.204 34 Y CB 0.855 39.296 38.460 -0.032 0.000 1.135 34 Y HN 0.113 nan 8.280 nan 0.000 0.477 35 D N 1.744 122.205 120.400 0.101 0.000 2.349 35 D HA 0.195 4.836 4.640 0.001 0.000 0.214 35 D C 0.900 177.241 176.300 0.069 0.000 1.063 35 D CA 0.469 54.450 54.000 -0.032 0.000 0.847 35 D CB 0.854 41.592 40.800 -0.103 0.000 0.933 35 D HN 0.722 nan 8.370 nan 0.000 0.513 36 G N -0.501 108.425 108.800 0.210 0.000 2.694 36 G HA2 0.559 4.520 3.960 0.001 0.000 0.290 36 G HA3 0.559 4.520 3.960 0.001 0.000 0.290 36 G C -1.723 173.289 174.900 0.186 0.000 1.386 36 G CA -0.595 44.633 45.100 0.213 0.000 0.872 36 G HN -0.004 nan 8.290 nan 0.000 0.475 37 V N -0.314 119.682 119.914 0.138 0.000 2.891 37 V HA 0.578 4.699 4.120 0.001 0.000 0.304 37 V C -1.438 174.730 176.094 0.124 0.000 1.171 37 V CA -0.862 61.470 62.300 0.053 0.000 0.943 37 V CB 1.892 33.671 31.823 -0.073 0.000 1.037 37 V HN 1.036 nan 8.190 nan 0.000 0.427 38 H N 6.909 125.976 119.070 -0.005 0.000 2.641 38 H HA 0.538 5.094 4.556 0.001 0.000 0.295 38 H C -0.639 174.666 175.328 -0.038 0.000 1.070 38 H CA -0.892 55.176 56.048 0.033 0.000 1.257 38 H CB 0.987 30.791 29.762 0.069 0.000 1.393 38 H HN 0.650 nan 8.280 nan 0.000 0.464 39 I N 7.221 127.859 120.570 0.114 0.000 2.337 39 I HA 0.042 4.212 4.170 0.001 0.000 0.291 39 I C 0.283 176.348 176.117 -0.086 0.000 1.046 39 I CA -0.385 60.850 61.300 -0.108 0.000 1.324 39 I CB 0.836 38.711 38.000 -0.209 0.000 1.409 39 I HN 0.458 nan 8.210 nan 0.000 0.494 40 L N 8.106 129.087 121.223 -0.404 0.000 2.483 40 L HA 0.117 4.458 4.340 0.001 0.000 0.275 40 L C -1.917 174.797 176.870 -0.261 0.000 1.220 40 L CA -1.442 53.132 54.840 -0.445 0.000 0.833 40 L CB -0.353 41.277 42.059 -0.715 0.000 1.102 40 L HN 0.327 nan 8.230 nan 0.000 0.490 41 P HA -0.196 nan 4.420 nan 0.000 0.255 41 P C -0.452 176.402 177.300 -0.744 0.000 1.132 41 P CA 1.013 63.582 63.100 -0.884 0.000 0.766 41 P CB -0.152 31.019 31.700 -0.883 0.000 0.715 42 F N 1.570 120.766 119.950 -1.257 0.000 2.764 42 F HA 0.443 4.970 4.527 0.001 0.000 0.310 42 F C -0.049 175.361 175.800 -0.649 0.000 1.124 42 F CA -1.102 56.446 58.000 -0.753 0.000 1.252 42 F CB -0.729 37.900 39.000 -0.617 0.000 1.010 42 F HN -0.030 nan 8.300 nan 0.000 0.518 43 F N 0.319 120.055 119.950 -0.357 0.000 2.291 43 F HA 0.505 5.032 4.527 0.001 0.000 0.305 43 F C 0.998 176.760 175.800 -0.064 0.000 1.171 43 F CA -1.295 56.548 58.000 -0.262 0.000 1.090 43 F CB 0.148 38.946 39.000 -0.338 0.000 1.436 43 F HN -0.290 nan 8.300 nan 0.000 0.509 44 T N 3.419 118.079 114.554 0.177 0.000 2.723 44 T HA 0.266 4.617 4.350 0.001 0.000 0.297 44 T C -2.439 172.308 174.700 0.078 0.000 0.925 44 T CA -1.029 61.137 62.100 0.111 0.000 1.030 44 T CB 0.481 69.407 68.868 0.097 0.000 0.905 44 T HN 0.230 nan 8.240 nan 0.000 0.502 45 P HA 0.405 nan 4.420 nan 0.000 0.287 45 P C 0.000 177.299 177.300 -0.001 0.000 1.292 45 P CA -0.971 62.122 63.100 -0.012 0.000 0.879 45 P CB 1.207 32.846 31.700 -0.102 0.000 1.214 46 F N -0.784 119.141 119.950 -0.040 0.000 2.721 46 F HA 0.310 4.838 4.527 0.001 0.000 0.301 46 F C 0.402 176.185 175.800 -0.029 0.000 1.096 46 F CA -0.143 57.817 58.000 -0.066 0.000 1.308 46 F CB -0.483 38.469 39.000 -0.081 0.000 1.086 46 F HN 0.029 nan 8.300 nan 0.000 0.587 47 D N 0.088 120.100 120.400 -0.647 0.000 2.788 47 D HA 0.293 4.934 4.640 0.001 0.000 0.289 47 D C 0.911 177.087 176.300 -0.206 0.000 1.340 47 D CA -0.172 53.561 54.000 -0.444 0.000 0.831 47 D CB -0.106 40.263 40.800 -0.718 0.000 1.103 47 D HN 0.241 nan 8.370 nan 0.000 0.476 48 G N 0.388 109.129 108.800 -0.097 0.000 3.022 48 G HA2 0.362 4.322 3.960 0.001 0.000 0.157 48 G HA3 0.362 4.322 3.960 0.001 0.000 0.157 48 G C 1.104 176.034 174.900 0.050 0.000 1.691 48 G CA 0.208 45.303 45.100 -0.009 0.000 1.079 48 G HN 0.251 nan 8.290 nan 0.000 0.549 49 A N -1.266 121.619 122.820 0.107 0.000 2.016 49 A HA 0.203 4.524 4.320 0.001 0.000 0.217 49 A C 1.270 178.924 177.584 0.117 0.000 1.162 49 A CA 1.915 54.022 52.037 0.118 0.000 0.662 49 A CB 0.012 19.106 19.000 0.157 0.000 0.812 49 A HN 0.395 nan 8.150 nan 0.000 0.450 50 D N -1.669 118.821 120.400 0.150 0.000 2.945 50 D HA 0.431 5.072 4.640 0.001 0.000 0.369 50 D C 0.139 176.605 176.300 0.277 0.000 1.294 50 D CA 0.306 54.422 54.000 0.193 0.000 0.778 50 D CB -0.255 40.666 40.800 0.202 0.000 1.188 50 D HN 0.574 nan 8.370 nan 0.000 0.479 51 A N 0.409 123.343 122.820 0.189 0.000 2.364 51 A HA 0.098 4.419 4.320 0.001 0.000 0.288 51 A C 1.719 179.429 177.584 0.210 0.000 1.433 51 A CA 1.763 53.912 52.037 0.188 0.000 0.757 51 A CB -1.824 17.302 19.000 0.211 0.000 1.098 51 A HN 1.400 nan 8.150 nan 0.000 0.380 52 G N -2.227 106.634 108.800 0.102 0.000 2.268 52 G HA2 -0.290 3.671 3.960 0.001 0.000 0.240 52 G HA3 -0.290 3.671 3.960 0.001 0.000 0.240 52 G C 0.492 175.306 174.900 -0.145 0.000 1.010 52 G CA 0.666 45.732 45.100 -0.057 0.000 0.618 52 G HN 1.233 nan 8.290 nan 0.000 0.516 53 F N 2.685 122.731 119.950 0.160 0.000 2.769 53 F HA 0.267 4.795 4.527 0.001 0.000 0.304 53 F C 1.014 176.971 175.800 0.261 0.000 1.158 53 F CA 0.664 58.788 58.000 0.205 0.000 1.398 53 F CB 0.521 39.641 39.000 0.200 0.000 1.094 53 F HN 0.285 nan 8.300 nan 0.000 0.553 54 D N 0.044 120.623 120.400 0.297 0.000 2.502 54 D HA 0.159 4.800 4.640 0.001 0.000 0.301 54 D C -3.159 173.251 176.300 0.184 0.000 1.202 54 D CA -1.896 52.271 54.000 0.279 0.000 0.878 54 D CB 0.495 41.438 40.800 0.238 0.000 1.062 54 D HN 0.063 nan 8.370 nan 0.000 0.499 55 P HA 0.230 nan 4.420 nan 0.000 0.280 55 P C 0.919 178.293 177.300 0.123 0.000 1.244 55 P CA -0.514 62.666 63.100 0.132 0.000 0.784 55 P CB 2.180 33.936 31.700 0.093 0.000 0.913 56 I N 0.881 121.499 120.570 0.080 0.000 2.585 56 I HA 0.030 4.201 4.170 0.001 0.000 0.254 56 I C 0.745 176.908 176.117 0.076 0.000 1.129 56 I CA 1.366 62.688 61.300 0.036 0.000 1.455 56 I CB 0.084 38.077 38.000 -0.012 0.000 1.111 56 I HN 0.312 nan 8.210 nan 0.000 0.433 57 D N -0.801 119.667 120.400 0.115 0.000 2.336 57 D HA 0.057 4.697 4.640 0.001 0.000 0.248 57 D C 0.771 177.179 176.300 0.179 0.000 1.326 57 D CA -0.250 53.841 54.000 0.150 0.000 0.973 57 D CB 0.582 41.454 40.800 0.120 0.000 1.255 57 D HN 0.040 nan 8.370 nan 0.000 0.558 58 H N 2.152 121.252 119.070 0.050 0.000 2.489 58 H HA -0.095 4.462 4.556 0.001 0.000 0.293 58 H C 1.388 176.510 175.328 -0.344 0.000 1.066 58 H CA 1.977 57.885 56.048 -0.233 0.000 1.305 58 H CB 0.431 30.035 29.762 -0.264 0.000 1.386 58 H HN 0.427 nan 8.280 nan 0.000 0.551 59 T N -2.745 111.873 114.554 0.106 0.000 3.107 59 T HA 0.094 4.445 4.350 0.001 0.000 0.249 59 T C 0.819 175.790 174.700 0.451 0.000 1.096 59 T CA -0.319 61.889 62.100 0.180 0.000 1.012 59 T CB 0.342 69.241 68.868 0.053 0.000 0.977 59 T HN 0.098 nan 8.240 nan 0.000 0.527 60 K N 1.755 122.363 120.400 0.347 0.000 2.358 60 K HA 0.524 4.845 4.320 0.001 0.000 0.260 60 K C -0.847 175.865 176.600 0.187 0.000 0.956 60 K CA -0.742 55.735 56.287 0.316 0.000 0.834 60 K CB 1.760 34.380 32.500 0.199 0.000 1.102 60 K HN -0.008 nan 8.250 nan 0.000 0.431 61 V N 3.564 123.458 119.914 -0.033 0.000 2.673 61 V HA -0.075 4.046 4.120 0.001 0.000 0.303 61 V C 0.588 176.678 176.094 -0.006 0.000 1.046 61 V CA -0.061 62.148 62.300 -0.151 0.000 1.126 61 V CB 0.858 32.441 31.823 -0.401 0.000 0.934 61 V HN 0.848 nan 8.190 nan 0.000 0.487 62 D N 3.905 124.330 120.400 0.042 0.000 2.412 62 D HA -0.031 4.610 4.640 0.001 0.000 0.257 62 D C 1.248 177.584 176.300 0.060 0.000 1.217 62 D CA -0.145 53.921 54.000 0.110 0.000 0.897 62 D CB 1.176 42.147 40.800 0.286 0.000 1.132 62 D HN 0.824 nan 8.370 nan 0.000 0.493 63 E N 3.958 124.192 120.200 0.056 0.000 2.273 63 E HA -0.229 4.122 4.350 0.001 0.000 0.198 63 E C 1.459 178.076 176.600 0.027 0.000 1.002 63 E CA 1.233 57.651 56.400 0.030 0.000 0.828 63 E CB -0.156 29.566 29.700 0.036 0.000 0.747 63 E HN 0.446 nan 8.360 nan 0.000 0.491 64 R N -0.024 120.522 120.500 0.075 0.000 2.189 64 R HA 0.131 4.471 4.340 0.001 0.000 0.218 64 R C 1.919 178.203 176.300 -0.027 0.000 1.074 64 R CA 1.050 57.197 56.100 0.077 0.000 0.991 64 R CB -0.132 30.302 30.300 0.224 0.000 0.883 64 R HN 0.288 nan 8.270 nan 0.000 0.457 65 L N -1.397 119.769 121.223 -0.096 0.000 2.408 65 L HA 0.249 4.589 4.340 0.001 0.000 0.215 65 L C 1.186 177.947 176.870 -0.181 0.000 1.081 65 L CA 0.436 55.138 54.840 -0.230 0.000 0.840 65 L CB 0.303 42.157 42.059 -0.342 0.000 1.002 65 L HN 0.360 nan 8.230 nan 0.000 0.468 66 G N -0.478 108.246 108.800 -0.127 0.000 2.366 66 G HA2 0.112 4.073 3.960 0.001 0.000 0.190 66 G HA3 0.112 4.073 3.960 0.001 0.000 0.190 66 G C -1.155 173.682 174.900 -0.105 0.000 1.299 66 G CA 0.050 45.079 45.100 -0.119 0.000 1.056 66 G HN 0.210 nan 8.290 nan 0.000 0.468 67 S N -2.043 113.587 115.700 -0.117 0.000 2.705 67 S HA 0.534 5.005 4.470 0.001 0.000 0.280 67 S C 0.032 174.581 174.600 -0.085 0.000 1.174 67 S CA 0.037 58.184 58.200 -0.088 0.000 0.823 67 S CB 1.151 64.361 63.200 0.017 0.000 1.162 67 S HN 0.873 nan 8.310 nan 0.000 0.487 68 W N 0.653 122.015 121.300 0.103 0.000 2.465 68 W HA 0.036 4.696 4.660 0.001 0.000 0.268 68 W C 1.866 178.424 176.519 0.065 0.000 1.242 68 W CA 1.148 58.564 57.345 0.118 0.000 1.248 68 W CB -0.134 29.404 29.460 0.130 0.000 1.118 68 W HN 0.932 nan 8.180 nan 0.000 0.587 69 D N 0.116 120.653 120.400 0.228 0.000 2.178 69 D HA -0.188 4.453 4.640 0.001 0.000 0.202 69 D C 1.583 177.913 176.300 0.050 0.000 0.974 69 D CA 1.479 55.555 54.000 0.126 0.000 0.841 69 D CB -0.106 40.741 40.800 0.079 0.000 0.953 69 D HN -0.044 nan 8.370 nan 0.000 0.478 70 D N -0.446 119.958 120.400 0.007 0.000 2.144 70 D HA -0.101 4.539 4.640 0.001 0.000 0.200 70 D C 2.195 178.452 176.300 -0.072 0.000 0.978 70 D CA 0.537 54.499 54.000 -0.063 0.000 0.833 70 D CB -0.039 40.686 40.800 -0.125 0.000 0.961 70 D HN 0.179 nan 8.370 nan 0.000 0.470 71 V N 1.502 121.400 119.914 -0.025 0.000 2.427 71 V HA -0.188 3.933 4.120 0.001 0.000 0.248 71 V C 2.547 178.673 176.094 0.053 0.000 1.051 71 V CA 1.603 63.909 62.300 0.011 0.000 1.048 71 V CB -0.645 31.302 31.823 0.207 0.000 0.666 71 V HN 0.155 nan 8.190 nan 0.000 0.456 72 A N 0.254 123.117 122.820 0.072 0.000 1.902 72 A HA -0.247 4.074 4.320 0.001 0.000 0.217 72 A C 2.201 179.689 177.584 -0.161 0.000 1.181 72 A CA 2.024 54.002 52.037 -0.098 0.000 0.623 72 A CB -0.490 18.458 19.000 -0.087 0.000 0.818 72 A HN 0.562 nan 8.150 nan 0.000 0.443 73 E N -0.023 120.125 120.200 -0.086 0.000 2.051 73 E HA -0.193 4.158 4.350 0.001 0.000 0.192 73 E C 1.778 178.342 176.600 -0.059 0.000 0.991 73 E CA 1.494 57.849 56.400 -0.075 0.000 0.799 73 E CB -0.511 29.156 29.700 -0.054 0.000 0.748 73 E HN 0.404 nan 8.360 nan 0.000 0.449 74 L N 0.835 122.023 121.223 -0.057 0.000 2.079 74 L HA -0.149 4.192 4.340 0.001 0.000 0.210 74 L C 2.284 179.162 176.870 0.014 0.000 1.081 74 L CA 2.462 57.279 54.840 -0.038 0.000 0.752 74 L CB -1.061 40.941 42.059 -0.095 0.000 0.896 74 L HN 0.318 nan 8.230 nan 0.000 0.433 75 S N -1.320 114.369 115.700 -0.017 0.000 2.465 75 S HA -0.225 4.246 4.470 0.001 0.000 0.241 75 S C 1.898 176.486 174.600 -0.020 0.000 1.000 75 S CA 1.146 59.342 58.200 -0.006 0.000 0.964 75 S CB -0.672 62.520 63.200 -0.012 0.000 0.763 75 S HN 0.597 nan 8.310 nan 0.000 0.512 76 K N 0.854 121.231 120.400 -0.039 0.000 2.211 76 K HA -0.042 4.279 4.320 0.001 0.000 0.203 76 K C 2.114 178.704 176.600 -0.016 0.000 1.050 76 K CA 1.641 57.905 56.287 -0.038 0.000 0.945 76 K CB -0.244 32.229 32.500 -0.045 0.000 0.732 76 K HN 0.786 nan 8.250 nan 0.000 0.451 77 T N -3.265 111.308 114.554 0.032 0.000 2.975 77 T HA 0.120 4.470 4.350 0.001 0.000 0.257 77 T C 0.026 174.619 174.700 -0.178 0.000 1.003 77 T CA -0.392 61.697 62.100 -0.019 0.000 0.932 77 T CB 0.099 69.012 68.868 0.075 0.000 1.087 77 T HN -0.003 nan 8.240 nan 0.000 0.512 78 H N 0.742 119.798 119.070 -0.023 0.000 2.806 78 H HA 0.529 5.085 4.556 0.001 0.000 0.367 78 H C -0.956 174.361 175.328 -0.020 0.000 1.136 78 H CA -0.821 55.220 56.048 -0.011 0.000 1.178 78 H CB 1.121 30.880 29.762 -0.006 0.000 1.718 78 H HN 0.164 nan 8.280 nan 0.000 0.540 79 N N 1.952 120.708 118.700 0.092 0.000 2.497 79 N HA 0.300 5.041 4.740 0.001 0.000 0.271 79 N C -0.608 174.931 175.510 0.048 0.000 1.142 79 N CA -0.143 52.915 53.050 0.013 0.000 0.965 79 N CB 1.072 39.597 38.487 0.063 0.000 1.077 79 N HN 0.325 nan 8.380 nan 0.000 0.462 80 I N 2.268 122.805 120.570 -0.055 0.000 2.404 80 I HA 0.307 4.478 4.170 0.001 0.000 0.293 80 I C -0.272 175.862 176.117 0.028 0.000 0.992 80 I CA -0.530 60.784 61.300 0.022 0.000 1.149 80 I CB 1.653 39.678 38.000 0.042 0.000 1.315 80 I HN 0.399 nan 8.210 nan 0.000 0.446 81 M N 6.989 126.691 119.600 0.170 0.000 2.364 81 M HA 0.703 5.184 4.480 0.001 0.000 0.334 81 M C -1.778 174.657 176.300 0.225 0.000 1.107 81 M CA -0.458 54.953 55.300 0.184 0.000 0.988 81 M CB 1.765 34.452 32.600 0.145 0.000 1.673 81 M HN 0.390 nan 8.290 nan 0.000 0.441 82 V N 3.010 123.046 119.914 0.203 0.000 3.078 82 V HA 0.443 4.563 4.120 0.001 0.000 0.311 82 V C -0.720 175.528 176.094 0.258 0.000 1.138 82 V CA -0.999 61.515 62.300 0.356 0.000 1.007 82 V CB 2.441 34.556 31.823 0.487 0.000 1.045 82 V HN 0.809 nan 8.190 nan 0.000 0.432 83 D N 1.929 122.557 120.400 0.381 0.000 2.304 83 D HA 0.537 5.178 4.640 0.001 0.000 0.247 83 D C -0.246 176.261 176.300 0.346 0.000 1.089 83 D CA 0.093 54.309 54.000 0.361 0.000 0.910 83 D CB 2.066 43.125 40.800 0.431 0.000 1.199 83 D HN 0.725 nan 8.370 nan 0.000 0.426 84 A N 3.043 126.019 122.820 0.260 0.000 2.360 84 A HA 0.385 4.706 4.320 0.001 0.000 0.309 84 A C 0.010 177.766 177.584 0.287 0.000 1.311 84 A CA -0.638 51.500 52.037 0.169 0.000 0.805 84 A CB 0.013 19.050 19.000 0.062 0.000 1.144 84 A HN 0.508 nan 8.150 nan 0.000 0.486 85 I N 4.161 125.011 120.570 0.466 0.000 2.293 85 I HA 0.051 4.221 4.170 0.001 0.000 0.299 85 I C 1.366 177.584 176.117 0.167 0.000 1.153 85 I CA -0.150 61.339 61.300 0.315 0.000 1.302 85 I CB 0.775 38.970 38.000 0.325 0.000 1.460 85 I HN 0.576 nan 8.210 nan 0.000 0.552 86 V N 1.358 121.350 119.914 0.130 0.000 3.506 86 V HA 0.039 4.160 4.120 0.001 0.000 0.263 86 V C 1.450 177.615 176.094 0.119 0.000 1.203 86 V CA 1.040 63.403 62.300 0.105 0.000 1.133 86 V CB -0.400 31.491 31.823 0.115 0.000 0.802 86 V HN 0.734 nan 8.190 nan 0.000 0.459 87 N N 0.470 119.212 118.700 0.070 0.000 2.409 87 N HA 0.043 4.784 4.740 0.001 0.000 0.174 87 N C 0.514 176.153 175.510 0.215 0.000 1.037 87 N CA 0.683 53.836 53.050 0.172 0.000 0.898 87 N CB 0.201 38.922 38.487 0.390 0.000 1.010 87 N HN 0.915 nan 8.380 nan 0.000 0.445 88 H N -2.224 117.033 119.070 0.312 0.000 2.948 88 H HA 0.373 4.929 4.556 0.001 0.000 0.315 88 H C -0.996 174.505 175.328 0.288 0.000 1.360 88 H CA -0.986 55.233 56.048 0.285 0.000 1.125 88 H CB 0.612 30.560 29.762 0.309 0.000 1.844 88 H HN 0.016 nan 8.280 nan 0.000 0.529 89 M N -0.258 119.577 119.600 0.392 0.000 2.755 89 M HA 0.481 4.961 4.480 0.001 0.000 0.273 89 M C -0.879 175.557 176.300 0.226 0.000 1.278 89 M CA -1.047 54.428 55.300 0.292 0.000 0.819 89 M CB 2.269 34.955 32.600 0.144 0.000 1.694 89 M HN 0.453 nan 8.290 nan 0.000 0.460 90 S N 1.462 117.260 115.700 0.165 0.000 2.562 90 S HA 0.140 4.611 4.470 0.001 0.000 0.281 90 S C 0.770 175.372 174.600 0.003 0.000 1.333 90 S CA -0.319 57.949 58.200 0.114 0.000 1.052 90 S CB 0.316 63.545 63.200 0.049 0.000 0.884 90 S HN 0.912 nan 8.310 nan 0.000 0.506 91 W N 4.281 125.492 121.300 -0.148 0.000 2.611 91 W HA 0.061 4.722 4.660 0.001 0.000 0.251 91 W C 0.531 177.084 176.519 0.055 0.000 1.265 91 W CA 0.603 57.778 57.345 -0.282 0.000 1.295 91 W CB -0.682 28.623 29.460 -0.259 0.000 1.129 91 W HN 0.773 nan 8.180 nan 0.000 0.630 92 E N 1.617 121.377 120.200 -0.734 0.000 2.489 92 E HA -0.024 4.327 4.350 0.001 0.000 0.193 92 E C 1.097 177.511 176.600 -0.310 0.000 1.057 92 E CA 0.203 56.158 56.400 -0.742 0.000 0.866 92 E CB 0.215 29.479 29.700 -0.727 0.000 0.916 92 E HN 0.123 nan 8.360 nan 0.000 0.500 93 S N 0.488 116.090 115.700 -0.164 0.000 2.573 93 S HA 0.071 4.542 4.470 0.001 0.000 0.277 93 S C 0.970 175.511 174.600 -0.098 0.000 1.346 93 S CA -0.422 57.727 58.200 -0.085 0.000 1.034 93 S CB 1.461 64.646 63.200 -0.026 0.000 0.879 93 S HN 0.035 nan 8.310 nan 0.000 0.528 94 K N 1.218 121.556 120.400 -0.103 0.000 2.103 94 K HA -0.189 4.132 4.320 0.001 0.000 0.207 94 K C 2.388 178.882 176.600 -0.178 0.000 1.048 94 K CA 1.861 58.080 56.287 -0.114 0.000 0.930 94 K CB -0.302 32.145 32.500 -0.087 0.000 0.716 94 K HN 0.629 nan 8.250 nan 0.000 0.444 95 Q N 0.040 119.661 119.800 -0.297 0.000 2.020 95 Q HA -0.159 4.181 4.340 0.001 0.000 0.202 95 Q C 1.871 177.861 176.000 -0.016 0.000 0.982 95 Q CA 1.676 57.179 55.803 -0.501 0.000 0.838 95 Q CB -0.358 28.050 28.738 -0.550 0.000 0.899 95 Q HN 0.230 nan 8.270 nan 0.000 0.423 96 F N 1.132 120.983 119.950 -0.165 0.000 2.146 96 F HA -0.165 4.362 4.527 0.001 0.000 0.298 96 F C 2.079 177.698 175.800 -0.302 0.000 1.096 96 F CA 1.246 58.946 58.000 -0.500 0.000 1.275 96 F CB -0.047 38.523 39.000 -0.717 0.000 1.008 96 F HN 0.031 nan 8.300 nan 0.000 0.480 97 Q N -0.070 119.621 119.800 -0.182 0.000 2.181 97 Q HA -0.258 4.083 4.340 0.001 0.000 0.205 97 Q C 1.831 177.717 176.000 -0.189 0.000 0.980 97 Q CA 1.951 57.638 55.803 -0.193 0.000 0.862 97 Q CB -0.756 27.904 28.738 -0.131 0.000 0.905 97 Q HN 0.513 nan 8.270 nan 0.000 0.429 98 D N -0.401 119.924 120.400 -0.124 0.000 2.144 98 D HA -0.105 4.536 4.640 0.001 0.000 0.200 98 D C 1.838 178.068 176.300 -0.117 0.000 0.978 98 D CA 0.703 54.681 54.000 -0.036 0.000 0.833 98 D CB 0.294 41.184 40.800 0.150 0.000 0.961 98 D HN 0.006 nan 8.370 nan 0.000 0.470 99 V N 0.472 120.229 119.914 -0.261 0.000 2.427 99 V HA -0.182 3.939 4.120 0.001 0.000 0.248 99 V C 2.542 178.245 176.094 -0.652 0.000 1.051 99 V CA 1.059 63.074 62.300 -0.475 0.000 1.048 99 V CB -0.472 30.916 31.823 -0.724 0.000 0.666 99 V HN 0.323 nan 8.190 nan 0.000 0.456 100 L N 0.124 120.958 121.223 -0.649 0.000 2.083 100 L HA -0.164 4.177 4.340 0.001 0.000 0.209 100 L C 2.678 179.475 176.870 -0.122 0.000 1.083 100 L CA 1.626 56.266 54.840 -0.334 0.000 0.752 100 L CB -0.741 41.191 42.059 -0.211 0.000 0.899 100 L HN 0.383 nan 8.230 nan 0.000 0.433 101 A N 0.134 122.879 122.820 -0.124 0.000 1.874 101 A HA -0.117 4.203 4.320 0.001 0.000 0.214 101 A C 2.175 179.735 177.584 -0.041 0.000 1.189 101 A CA 1.216 53.223 52.037 -0.050 0.000 0.615 101 A CB -0.097 18.880 19.000 -0.038 0.000 0.830 101 A HN 0.318 nan 8.150 nan 0.000 0.443 102 K N -1.180 119.180 120.400 -0.068 0.000 2.353 102 K HA 0.335 4.656 4.320 0.001 0.000 0.195 102 K C 1.212 177.768 176.600 -0.072 0.000 1.031 102 K CA 0.357 56.613 56.287 -0.052 0.000 1.079 102 K CB 0.326 32.803 32.500 -0.037 0.000 0.857 102 K HN 0.555 nan 8.250 nan 0.000 0.535 103 G N 2.748 111.480 108.800 -0.113 0.000 2.611 103 G HA2 -0.399 3.562 3.960 0.001 0.000 0.301 103 G HA3 -0.399 3.562 3.960 0.001 0.000 0.301 103 G C 0.548 175.319 174.900 -0.216 0.000 1.233 103 G CA 0.534 45.578 45.100 -0.093 0.000 0.993 103 G HN 0.401 nan 8.290 nan 0.000 0.553 104 E N 1.169 121.121 120.200 -0.413 0.000 2.472 104 E HA -0.026 4.324 4.350 0.001 0.000 0.200 104 E C 1.791 178.193 176.600 -0.329 0.000 1.046 104 E CA 0.909 56.827 56.400 -0.803 0.000 0.871 104 E CB 0.005 29.286 29.700 -0.698 0.000 0.806 104 E HN 0.471 nan 8.360 nan 0.000 0.533 105 E N 0.528 120.625 120.200 -0.172 0.000 2.489 105 E HA 0.025 4.376 4.350 0.001 0.000 0.193 105 E C 0.514 177.083 176.600 -0.052 0.000 1.057 105 E CA 0.099 56.445 56.400 -0.089 0.000 0.866 105 E CB 0.341 30.004 29.700 -0.062 0.000 0.916 105 E HN -0.045 nan 8.360 nan 0.000 0.500 106 S N 1.249 116.929 115.700 -0.033 0.000 2.548 106 S HA 0.020 4.491 4.470 0.001 0.000 0.277 106 S C 1.250 175.861 174.600 0.019 0.000 1.315 106 S CA -0.400 57.810 58.200 0.017 0.000 1.050 106 S CB 0.932 64.171 63.200 0.064 0.000 0.918 106 S HN 0.215 nan 8.310 nan 0.000 0.497 107 E N 3.233 123.371 120.200 -0.103 0.000 2.338 107 E HA -0.159 4.192 4.350 0.001 0.000 0.197 107 E C 0.215 176.663 176.600 -0.252 0.000 1.007 107 E CA 1.212 57.476 56.400 -0.226 0.000 0.849 107 E CB -0.311 29.146 29.700 -0.405 0.000 0.774 107 E HN 0.857 nan 8.360 nan 0.000 0.506 108 Y N -0.831 119.526 120.300 0.095 0.000 2.457 108 Y HA 0.082 4.633 4.550 0.001 0.000 0.263 108 Y C 1.554 177.565 175.900 0.186 0.000 1.164 108 Y CA -0.489 57.676 58.100 0.108 0.000 1.274 108 Y CB -0.252 38.305 38.460 0.161 0.000 1.097 108 Y HN 0.108 nan 8.280 nan 0.000 0.523 109 Y N 2.372 122.772 120.300 0.167 0.000 2.114 109 Y HA -0.163 4.387 4.550 0.001 0.000 0.282 109 Y C -0.878 175.148 175.900 0.210 0.000 1.165 109 Y CA 1.416 59.615 58.100 0.166 0.000 1.148 109 Y CB -1.305 37.211 38.460 0.093 0.000 0.972 109 Y HN 0.049 nan 8.280 nan 0.000 0.504 110 P HA -0.112 nan 4.420 nan 0.000 0.233 110 P C 1.718 178.984 177.300 -0.057 0.000 1.167 110 P CA 1.444 64.534 63.100 -0.018 0.000 0.770 110 P CB -0.261 31.473 31.700 0.056 0.000 0.837 111 M N -1.773 117.771 119.600 -0.093 0.000 2.394 111 M HA 0.041 4.522 4.480 0.001 0.000 0.264 111 M C -0.423 175.549 176.300 -0.546 0.000 1.073 111 M CA 1.261 56.358 55.300 -0.340 0.000 1.111 111 M CB 0.046 32.348 32.600 -0.496 0.000 1.401 111 M HN -0.254 nan 8.290 nan 0.000 0.448 112 F N 0.426 120.424 119.950 0.080 0.000 2.480 112 F HA 0.466 4.994 4.527 0.001 0.000 0.329 112 F C -0.447 175.428 175.800 0.126 0.000 1.091 112 F CA -0.987 57.098 58.000 0.141 0.000 0.972 112 F CB 0.979 40.157 39.000 0.296 0.000 1.150 112 F HN -0.206 nan 8.300 nan 0.000 0.467 113 L N 2.546 123.975 121.223 0.344 0.000 2.326 113 L HA 0.543 4.884 4.340 0.001 0.000 0.278 113 L C 0.315 177.459 176.870 0.457 0.000 1.092 113 L CA -0.344 54.671 54.840 0.292 0.000 0.810 113 L CB 1.222 43.376 42.059 0.158 0.000 1.153 113 L HN 0.803 nan 8.230 nan 0.000 0.439 114 T N -1.092 113.714 114.554 0.419 0.000 2.888 114 T HA 0.302 4.652 4.350 0.001 0.000 0.288 114 T C 0.747 175.763 174.700 0.526 0.000 1.063 114 T CA -0.867 61.493 62.100 0.434 0.000 1.010 114 T CB 1.548 70.571 68.868 0.259 0.000 1.214 114 T HN 0.639 nan 8.240 nan 0.000 0.533 115 M N 0.877 120.703 119.600 0.376 0.000 2.108 115 M HA -0.100 4.381 4.480 0.001 0.000 0.261 115 M C 1.913 178.428 176.300 0.358 0.000 1.066 115 M CA 1.895 57.375 55.300 0.300 0.000 1.107 115 M CB -0.510 31.880 32.600 -0.350 0.000 1.356 115 M HN 0.713 nan 8.290 nan 0.000 0.406 116 S N 0.194 116.025 115.700 0.219 0.000 2.423 116 S HA -0.078 4.393 4.470 0.001 0.000 0.231 116 S C 1.796 176.509 174.600 0.189 0.000 1.014 116 S CA 1.333 59.651 58.200 0.198 0.000 0.965 116 S CB -0.207 63.083 63.200 0.151 0.000 0.785 116 S HN 0.567 nan 8.310 nan 0.000 0.495 117 S N 1.209 117.026 115.700 0.194 0.000 2.382 117 S HA -0.051 4.419 4.470 0.001 0.000 0.228 117 S C 1.868 176.506 174.600 0.063 0.000 1.027 117 S CA 1.143 59.416 58.200 0.122 0.000 0.991 117 S CB -0.212 63.057 63.200 0.115 0.000 0.823 117 S HN 0.380 nan 8.310 nan 0.000 0.469 118 V N -0.535 119.426 119.914 0.079 0.000 2.825 118 V HA 0.190 4.310 4.120 0.001 0.000 0.246 118 V C 0.078 175.944 176.094 -0.380 0.000 1.068 118 V CA 0.884 63.076 62.300 -0.179 0.000 1.088 118 V CB -0.361 31.340 31.823 -0.203 0.000 0.733 118 V HN 0.393 nan 8.190 nan 0.000 0.468 119 F N 1.458 121.516 119.950 0.179 0.000 2.471 119 F HA 0.400 4.928 4.527 0.001 0.000 0.318 119 F C -1.294 174.555 175.800 0.081 0.000 1.308 119 F CA -2.330 55.741 58.000 0.119 0.000 1.162 119 F CB 0.654 39.719 39.000 0.108 0.000 1.383 119 F HN 0.041 nan 8.300 nan 0.000 0.552 120 P HA -0.160 nan 4.420 nan 0.000 0.219 120 P C 0.080 177.452 177.300 0.121 0.000 1.146 120 P CA 1.493 64.673 63.100 0.133 0.000 0.808 120 P CB 0.254 32.009 31.700 0.093 0.000 0.779 121 N N -0.560 118.219 118.700 0.133 0.000 2.273 121 N HA 0.360 5.100 4.740 0.001 0.000 0.231 121 N C 0.496 176.063 175.510 0.095 0.000 1.134 121 N CA 0.199 53.308 53.050 0.099 0.000 0.856 121 N CB 0.632 39.170 38.487 0.085 0.000 1.068 121 N HN 0.140 nan 8.380 nan 0.000 0.510 122 G N 0.316 109.186 108.800 0.117 0.000 2.712 122 G HA2 0.187 4.148 3.960 0.001 0.000 0.683 122 G HA3 0.187 4.148 3.960 0.001 0.000 0.683 122 G C -1.199 173.719 174.900 0.029 0.000 1.320 122 G CA -0.550 44.580 45.100 0.049 0.000 0.847 122 G HN 0.405 nan 8.290 nan 0.000 0.553 123 A N -0.500 122.234 122.820 -0.143 0.000 2.515 123 A HA 1.063 5.384 4.320 0.001 0.000 0.298 123 A C 0.324 177.780 177.584 -0.214 0.000 1.059 123 A CA 0.744 52.599 52.037 -0.304 0.000 0.698 123 A CB 1.490 19.924 19.000 -0.943 0.000 1.289 123 A HN 2.485 nan 8.150 nan 0.000 0.404 124 T N -1.543 112.921 114.554 -0.151 0.000 2.824 124 T HA 0.378 4.728 4.350 0.001 0.000 0.277 124 T C 0.934 175.564 174.700 -0.118 0.000 0.975 124 T CA 0.329 62.372 62.100 -0.096 0.000 0.966 124 T CB 1.131 69.975 68.868 -0.040 0.000 1.054 124 T HN 0.741 nan 8.240 nan 0.000 0.533 125 E N 0.131 120.282 120.200 -0.081 0.000 2.077 125 E HA -0.213 4.138 4.350 0.001 0.000 0.193 125 E C 1.736 178.306 176.600 -0.051 0.000 0.989 125 E CA 1.375 57.731 56.400 -0.073 0.000 0.800 125 E CB -0.078 29.593 29.700 -0.049 0.000 0.746 125 E HN 0.728 nan 8.360 nan 0.000 0.452 126 E N 1.149 121.334 120.200 -0.026 0.000 2.085 126 E HA -0.199 4.152 4.350 0.001 0.000 0.194 126 E C 1.758 178.371 176.600 0.023 0.000 0.994 126 E CA 1.467 57.870 56.400 0.004 0.000 0.801 126 E CB -0.260 29.450 29.700 0.017 0.000 0.743 126 E HN 0.338 nan 8.360 nan 0.000 0.453 127 D N -0.018 120.385 120.400 0.004 0.000 2.104 127 D HA -0.145 4.496 4.640 0.001 0.000 0.194 127 D C 2.032 178.358 176.300 0.043 0.000 0.994 127 D CA 0.961 54.991 54.000 0.051 0.000 0.830 127 D CB -0.181 40.589 40.800 -0.051 0.000 0.959 127 D HN 0.196 nan 8.370 nan 0.000 0.452 128 L N 0.461 121.626 121.223 -0.096 0.000 2.131 128 L HA -0.011 4.330 4.340 0.001 0.000 0.206 128 L C 2.497 179.377 176.870 0.017 0.000 1.087 128 L CA 0.810 55.620 54.840 -0.051 0.000 0.767 128 L CB -0.379 41.597 42.059 -0.138 0.000 0.917 128 L HN -0.056 nan 8.230 nan 0.000 0.441 129 A N 0.312 123.133 122.820 0.003 0.000 2.067 129 A HA -0.031 4.289 4.320 0.001 0.000 0.219 129 A C 2.236 179.850 177.584 0.049 0.000 1.158 129 A CA 1.366 53.410 52.037 0.013 0.000 0.661 129 A CB -0.812 18.189 19.000 0.002 0.000 0.801 129 A HN 0.434 nan 8.150 nan 0.000 0.452 130 G N -0.578 108.273 108.800 0.084 0.000 2.712 130 G HA2 0.230 4.191 3.960 0.001 0.000 0.212 130 G HA3 0.230 4.191 3.960 0.001 0.000 0.212 130 G C 0.568 175.570 174.900 0.170 0.000 1.142 130 G CA -0.179 44.992 45.100 0.119 0.000 0.789 130 G HN 0.454 nan 8.290 nan 0.000 0.535 131 I N 1.133 121.814 120.570 0.185 0.000 2.598 131 I HA 0.046 4.216 4.170 0.001 0.000 0.284 131 I C 0.241 176.469 176.117 0.185 0.000 1.140 131 I CA -0.883 60.564 61.300 0.245 0.000 1.420 131 I CB 0.448 38.603 38.000 0.257 0.000 1.387 131 I HN 0.077 nan 8.210 nan 0.000 0.553 132 Y N 8.312 128.693 120.300 0.136 0.000 2.620 132 Y HA 0.153 4.703 4.550 0.001 0.000 0.330 132 Y C -0.042 175.890 175.900 0.053 0.000 1.186 132 Y CA 0.110 58.238 58.100 0.046 0.000 1.467 132 Y CB 0.199 38.633 38.460 -0.043 0.000 1.262 132 Y HN 0.436 nan 8.280 nan 0.000 0.550 133 R N 7.500 127.433 120.500 -0.946 0.000 2.621 133 R HA 0.253 4.593 4.340 0.001 0.000 0.284 133 R C -2.245 173.552 176.300 -0.839 0.000 0.998 133 R CA -1.931 53.758 56.100 -0.684 0.000 0.895 133 R CB 1.581 31.677 30.300 -0.340 0.000 1.195 133 R HN 0.480 nan 8.270 nan 0.000 0.450 134 P HA 0.001 nan 4.420 nan 0.000 0.245 134 P C -0.490 176.703 177.300 -0.179 0.000 1.206 134 P CA 0.467 63.423 63.100 -0.241 0.000 0.781 134 P CB 0.692 32.365 31.700 -0.045 0.000 0.994 135 R N -1.776 118.590 120.500 -0.222 0.000 2.692 135 R HA 0.644 4.985 4.340 0.001 0.000 0.269 135 R C -3.350 172.841 176.300 -0.181 0.000 1.030 135 R CA -2.169 53.811 56.100 -0.200 0.000 0.882 135 R CB -0.442 29.751 30.300 -0.178 0.000 1.250 135 R HN -0.323 nan 8.270 nan 0.000 0.465 136 P HA 0.296 nan 4.420 nan 0.000 0.269 136 P C -0.365 176.861 177.300 -0.123 0.000 1.215 136 P CA 0.921 63.949 63.100 -0.121 0.000 0.780 136 P CB 0.662 32.301 31.700 -0.101 0.000 0.898 137 G N 0.212 108.947 108.800 -0.108 0.000 2.697 137 G HA2 -0.085 3.876 3.960 0.001 0.000 0.686 137 G HA3 -0.085 3.876 3.960 0.001 0.000 0.686 137 G C -1.136 173.685 174.900 -0.133 0.000 1.179 137 G CA -1.024 44.011 45.100 -0.107 0.000 0.765 137 G HN 0.482 nan 8.290 nan 0.000 0.649 138 L N 2.455 123.611 121.223 -0.112 0.000 2.436 138 L HA 0.435 4.775 4.340 0.001 0.000 0.265 138 L C -1.011 175.684 176.870 -0.291 0.000 1.168 138 L CA -1.689 53.066 54.840 -0.141 0.000 0.815 138 L CB 1.211 43.285 42.059 0.025 0.000 1.109 138 L HN 0.489 nan 8.230 nan 0.000 0.462 139 P HA 0.178 nan 4.420 nan 0.000 0.220 139 P C -1.124 175.419 177.300 -1.261 0.000 1.778 139 P CA 0.188 62.769 63.100 -0.864 0.000 0.912 139 P CB -0.372 30.777 31.700 -0.920 0.000 1.861 140 F N -1.000 118.737 119.950 -0.355 0.000 2.601 140 F HA 0.590 5.118 4.527 0.001 0.000 0.309 140 F C 0.485 176.148 175.800 -0.229 0.000 1.089 140 F CA -0.597 57.227 58.000 -0.294 0.000 0.940 140 F CB 2.299 41.098 39.000 -0.334 0.000 1.273 140 F HN -0.236 nan 8.300 nan 0.000 0.450 141 T N -0.265 114.292 114.554 0.005 0.000 2.864 141 T HA 0.481 4.832 4.350 0.001 0.000 0.299 141 T C -1.631 172.953 174.700 -0.193 0.000 1.166 141 T CA -0.711 61.325 62.100 -0.106 0.000 1.007 141 T CB 0.729 69.524 68.868 -0.122 0.000 1.219 141 T HN 0.556 nan 8.240 nan 0.000 0.506 142 H N 1.271 120.212 119.070 -0.216 0.000 2.580 142 H HA 0.588 5.144 4.556 0.001 0.000 0.322 142 H C -1.123 173.990 175.328 -0.357 0.000 1.082 142 H CA 0.180 56.108 56.048 -0.200 0.000 1.383 142 H CB 0.357 30.017 29.762 -0.170 0.000 1.450 142 H HN 0.394 nan 8.280 nan 0.000 0.505 143 Y N 0.618 120.988 120.300 0.116 0.000 2.513 143 Y HA 0.272 4.822 4.550 0.001 0.000 0.340 143 Y C -0.414 175.557 175.900 0.120 0.000 1.055 143 Y CA -1.083 57.122 58.100 0.175 0.000 1.020 143 Y CB 1.768 40.464 38.460 0.393 0.000 1.301 143 Y HN 0.458 nan 8.280 nan 0.000 0.453 144 K N 3.220 123.841 120.400 0.368 0.000 2.253 144 K HA 0.405 4.725 4.320 0.001 0.000 0.277 144 K C -1.481 175.388 176.600 0.449 0.000 1.053 144 K CA -0.514 55.940 56.287 0.279 0.000 0.892 144 K CB 0.734 33.347 32.500 0.187 0.000 1.102 144 K HN 0.300 nan 8.250 nan 0.000 0.469 145 F N 1.796 121.802 119.950 0.093 0.000 2.350 145 F HA 0.217 4.745 4.527 0.001 0.000 0.365 145 F C 0.917 176.737 175.800 0.034 0.000 1.122 145 F CA -1.459 56.573 58.000 0.053 0.000 1.139 145 F CB 0.392 39.458 39.000 0.109 0.000 1.220 145 F HN 0.766 nan 8.300 nan 0.000 0.499 146 A N 2.749 125.666 122.820 0.162 0.000 2.745 146 A HA 0.051 4.372 4.320 0.001 0.000 0.296 146 A C 1.654 179.295 177.584 0.096 0.000 1.500 146 A CA 1.357 53.448 52.037 0.089 0.000 0.766 146 A CB -1.829 17.203 19.000 0.055 0.000 1.030 146 A HN 2.107 nan 8.150 nan 0.000 0.489 147 G N -1.617 107.251 108.800 0.112 0.000 2.241 147 G HA2 -0.286 3.675 3.960 0.001 0.000 0.244 147 G HA3 -0.286 3.675 3.960 0.001 0.000 0.244 147 G C 0.175 175.126 174.900 0.087 0.000 0.998 147 G CA 1.251 46.404 45.100 0.088 0.000 0.621 147 G HN 1.674 nan 8.290 nan 0.000 0.519 148 K N 1.634 122.099 120.400 0.109 0.000 2.211 148 K HA 0.528 4.849 4.320 0.001 0.000 0.275 148 K C -0.077 176.561 176.600 0.063 0.000 1.024 148 K CA -0.211 56.124 56.287 0.080 0.000 0.887 148 K CB 0.525 33.073 32.500 0.080 0.000 1.084 148 K HN 0.035 nan 8.250 nan 0.000 0.463 149 T N 5.189 119.766 114.554 0.038 0.000 2.853 149 T HA 0.165 4.515 4.350 0.001 0.000 0.298 149 T C -0.228 174.442 174.700 -0.051 0.000 0.978 149 T CA -0.216 61.900 62.100 0.026 0.000 1.152 149 T CB 0.240 69.144 68.868 0.060 0.000 0.914 149 T HN 0.411 nan 8.240 nan 0.000 0.539 150 R N 2.573 122.984 120.500 -0.149 0.000 2.807 150 R HA 0.485 4.826 4.340 0.001 0.000 0.276 150 R C -0.792 175.388 176.300 -0.200 0.000 0.979 150 R CA -0.972 54.966 56.100 -0.271 0.000 0.928 150 R CB 1.577 31.444 30.300 -0.722 0.000 1.191 150 R HN 0.533 nan 8.270 nan 0.000 0.471 151 L N 2.172 123.287 121.223 -0.180 0.000 2.272 151 L HA 0.351 4.691 4.340 0.001 0.000 0.284 151 L C -0.205 176.732 176.870 0.112 0.000 1.045 151 L CA -0.792 53.958 54.840 -0.149 0.000 0.842 151 L CB 1.418 43.274 42.059 -0.339 0.000 1.224 151 L HN 0.124 nan 8.230 nan 0.000 0.430 152 V N 2.420 122.478 119.914 0.240 0.000 2.607 152 V HA 0.148 4.269 4.120 0.001 0.000 0.289 152 V C -0.035 176.329 176.094 0.449 0.000 1.053 152 V CA -0.560 61.988 62.300 0.413 0.000 0.996 152 V CB 1.521 33.663 31.823 0.532 0.000 0.995 152 V HN 0.634 nan 8.190 nan 0.000 0.476 153 W N 5.927 127.403 121.300 0.294 0.000 2.368 153 W HA 0.481 5.141 4.660 0.001 0.000 0.316 153 W C -0.477 176.032 176.519 -0.017 0.000 1.375 153 W CA -0.350 57.023 57.345 0.046 0.000 1.261 153 W CB 1.155 30.656 29.460 0.069 0.000 1.298 153 W HN 0.467 nan 8.180 nan 0.000 0.539 154 V N 3.328 123.263 119.914 0.035 0.000 2.488 154 V HA 0.304 4.425 4.120 0.001 0.000 0.293 154 V C 0.380 176.387 176.094 -0.145 0.000 1.027 154 V CA -0.685 61.633 62.300 0.031 0.000 0.862 154 V CB 1.023 32.844 31.823 -0.003 0.000 1.008 154 V HN 0.470 nan 8.190 nan 0.000 0.428 155 S N 3.057 118.652 115.700 -0.175 0.000 2.414 155 S HA 0.211 4.682 4.470 0.001 0.000 0.227 155 S C 0.759 174.740 174.600 -1.033 0.000 1.022 155 S CA 1.492 59.307 58.200 -0.641 0.000 0.958 155 S CB -0.210 62.423 63.200 -0.945 0.000 0.797 155 S HN 0.772 nan 8.310 nan 0.000 0.493 156 F N 1.171 120.988 119.950 -0.220 0.000 2.562 156 F HA 0.298 4.826 4.527 0.001 0.000 0.166 156 F C 1.462 177.169 175.800 -0.155 0.000 1.393 156 F CA -0.479 57.387 58.000 -0.222 0.000 1.127 156 F CB -1.020 37.807 39.000 -0.289 0.000 1.844 156 F HN -0.125 nan 8.300 nan 0.000 0.372 157 T N -0.815 113.798 114.554 0.098 0.000 2.868 157 T HA 0.215 4.566 4.350 0.001 0.000 0.292 157 T C -2.168 172.539 174.700 0.012 0.000 1.028 157 T CA -1.421 60.700 62.100 0.034 0.000 1.059 157 T CB 1.198 70.100 68.868 0.056 0.000 0.991 157 T HN -0.030 nan 8.240 nan 0.000 0.531 158 P HA -0.013 nan 4.420 nan 0.000 0.225 158 P C 1.182 178.504 177.300 0.036 0.000 1.148 158 P CA 0.711 63.794 63.100 -0.029 0.000 0.779 158 P CB 0.035 31.665 31.700 -0.117 0.000 0.780 159 Q N -1.155 118.675 119.800 0.049 0.000 2.432 159 Q HA 0.015 4.356 4.340 0.001 0.000 0.205 159 Q C 0.522 176.671 176.000 0.249 0.000 0.945 159 Q CA 0.764 56.671 55.803 0.174 0.000 0.924 159 Q CB -0.321 28.583 28.738 0.276 0.000 1.016 159 Q HN 0.407 nan 8.270 nan 0.000 0.503 160 Q N 0.761 120.646 119.800 0.142 0.000 2.465 160 Q HA 0.305 4.646 4.340 0.001 0.000 0.237 160 Q C -1.024 175.044 176.000 0.114 0.000 1.051 160 Q CA -0.571 55.314 55.803 0.136 0.000 0.874 160 Q CB 1.335 30.069 28.738 -0.007 0.000 1.207 160 Q HN 0.098 nan 8.270 nan 0.000 0.508 161 V N -0.438 119.508 119.914 0.054 0.000 2.461 161 V HA 0.308 4.428 4.120 0.001 0.000 0.275 161 V C -0.153 176.097 176.094 0.260 0.000 1.047 161 V CA -0.936 61.366 62.300 0.004 0.000 0.955 161 V CB 1.058 32.526 31.823 -0.592 0.000 0.988 161 V HN 0.465 nan 8.190 nan 0.000 0.471 162 D N 4.679 125.267 120.400 0.313 0.000 2.389 162 D HA 0.411 5.052 4.640 0.001 0.000 0.247 162 D C 0.344 176.823 176.300 0.298 0.000 1.128 162 D CA 0.254 54.447 54.000 0.322 0.000 0.884 162 D CB 1.104 42.047 40.800 0.237 0.000 1.194 162 D HN 0.851 nan 8.370 nan 0.000 0.441 163 I N -1.506 119.182 120.570 0.197 0.000 2.664 163 I HA 0.411 4.582 4.170 0.001 0.000 0.308 163 I C 0.066 176.190 176.117 0.012 0.000 0.984 163 I CA -0.881 60.443 61.300 0.041 0.000 1.213 163 I CB 1.393 39.356 38.000 -0.061 0.000 1.379 163 I HN -0.004 nan 8.210 nan 0.000 0.501 164 D N 3.381 123.757 120.400 -0.041 0.000 2.365 164 D HA 0.085 4.726 4.640 0.001 0.000 0.237 164 D C 1.190 177.497 176.300 0.012 0.000 1.190 164 D CA -0.237 53.746 54.000 -0.029 0.000 0.867 164 D CB 1.238 42.015 40.800 -0.038 0.000 1.050 164 D HN 0.757 nan 8.370 nan 0.000 0.491 165 T N 0.288 114.868 114.554 0.044 0.000 3.163 165 T HA -0.105 4.245 4.350 0.001 0.000 0.260 165 T C 1.011 175.797 174.700 0.143 0.000 1.156 165 T CA 0.348 62.529 62.100 0.135 0.000 1.072 165 T CB 0.161 69.118 68.868 0.149 0.000 0.937 165 T HN 0.182 nan 8.240 nan 0.000 0.528 166 D N 1.512 121.932 120.400 0.032 0.000 2.395 166 D HA 0.164 4.804 4.640 0.001 0.000 0.213 166 D C 0.525 176.810 176.300 -0.024 0.000 1.110 166 D CA -0.173 53.804 54.000 -0.038 0.000 0.835 166 D CB 0.378 41.131 40.800 -0.078 0.000 0.965 166 D HN 0.554 nan 8.370 nan 0.000 0.505 167 S N -0.874 114.839 115.700 0.022 0.000 2.632 167 S HA 0.225 4.695 4.470 0.001 0.000 0.271 167 S C 0.948 175.590 174.600 0.069 0.000 1.260 167 S CA -0.711 57.501 58.200 0.020 0.000 1.010 167 S CB 1.727 64.927 63.200 0.000 0.000 0.965 167 S HN -0.110 nan 8.310 nan 0.000 0.534 168 D N 1.245 121.676 120.400 0.053 0.000 2.097 168 D HA -0.078 4.563 4.640 0.001 0.000 0.195 168 D C 1.735 178.101 176.300 0.110 0.000 0.989 168 D CA 1.194 55.244 54.000 0.084 0.000 0.827 168 D CB -0.092 40.736 40.800 0.045 0.000 0.966 168 D HN 0.468 nan 8.370 nan 0.000 0.456 169 K N 0.574 121.015 120.400 0.069 0.000 2.057 169 K HA -0.064 4.257 4.320 0.001 0.000 0.207 169 K C 2.173 178.823 176.600 0.083 0.000 1.049 169 K CA 1.092 57.427 56.287 0.079 0.000 0.931 169 K CB -0.834 31.707 32.500 0.069 0.000 0.714 169 K HN 0.205 nan 8.250 nan 0.000 0.440 170 G N 0.426 109.259 108.800 0.054 0.000 2.421 170 G HA2 -0.261 3.700 3.960 0.001 0.000 0.216 170 G HA3 -0.261 3.700 3.960 0.001 0.000 0.216 170 G C 1.443 176.436 174.900 0.154 0.000 1.171 170 G CA 0.420 45.563 45.100 0.072 0.000 0.775 170 G HN 0.405 nan 8.290 nan 0.000 0.543 171 W N 1.465 122.751 121.300 -0.023 0.000 2.363 171 W HA -0.071 4.590 4.660 0.001 0.000 0.296 171 W C 2.291 178.774 176.519 -0.060 0.000 1.212 171 W CA 1.447 58.755 57.345 -0.061 0.000 1.260 171 W CB 0.024 29.441 29.460 -0.073 0.000 1.131 171 W HN 0.425 nan 8.180 nan 0.000 0.530 172 E N -0.323 119.899 120.200 0.037 0.000 2.085 172 E HA -0.336 4.014 4.350 0.001 0.000 0.194 172 E C 2.113 178.654 176.600 -0.098 0.000 0.994 172 E CA 1.674 58.050 56.400 -0.040 0.000 0.801 172 E CB -0.973 28.762 29.700 0.058 0.000 0.743 172 E HN 0.307 nan 8.360 nan 0.000 0.453 173 Y N 1.311 121.519 120.300 -0.153 0.000 2.145 173 Y HA -0.179 4.372 4.550 0.001 0.000 0.286 173 Y C 1.953 177.692 175.900 -0.269 0.000 1.145 173 Y CA 1.647 59.649 58.100 -0.163 0.000 1.148 173 Y CB -0.318 38.071 38.460 -0.118 0.000 0.981 173 Y HN 0.031 nan 8.280 nan 0.000 0.507 174 L N -0.741 120.195 121.223 -0.477 0.000 2.083 174 L HA -0.253 4.087 4.340 0.001 0.000 0.209 174 L C 2.342 178.745 176.870 -0.778 0.000 1.083 174 L CA 1.150 55.566 54.840 -0.706 0.000 0.752 174 L CB -0.554 41.045 42.059 -0.767 0.000 0.899 174 L HN 0.296 nan 8.230 nan 0.000 0.433 175 M N -0.326 118.792 119.600 -0.802 0.000 2.319 175 M HA -0.097 4.384 4.480 0.001 0.000 0.265 175 M C 2.653 178.746 176.300 -0.345 0.000 1.068 175 M CA 1.617 56.546 55.300 -0.618 0.000 1.118 175 M CB -1.148 31.117 32.600 -0.557 0.000 1.395 175 M HN 0.387 nan 8.290 nan 0.000 0.435 176 S N 0.352 115.850 115.700 -0.337 0.000 2.402 176 S HA -0.060 4.411 4.470 0.001 0.000 0.229 176 S C 1.957 176.376 174.600 -0.302 0.000 1.021 176 S CA 0.817 58.865 58.200 -0.254 0.000 0.974 176 S CB -0.737 62.346 63.200 -0.195 0.000 0.800 176 S HN 0.468 nan 8.310 nan 0.000 0.484 177 I N 0.019 120.330 120.570 -0.431 0.000 2.202 177 I HA -0.067 4.103 4.170 0.001 0.000 0.242 177 I C 2.197 178.175 176.117 -0.231 0.000 1.091 177 I CA 1.201 62.217 61.300 -0.472 0.000 1.368 177 I CB -0.402 37.154 38.000 -0.740 0.000 1.058 177 I HN 0.184 nan 8.210 nan 0.000 0.410 178 F N 1.404 121.107 119.950 -0.411 0.000 2.134 178 F HA -0.234 4.293 4.527 0.001 0.000 0.299 178 F C 2.315 177.957 175.800 -0.263 0.000 1.097 178 F CA 1.337 59.156 58.000 -0.301 0.000 1.264 178 F CB -0.790 38.042 39.000 -0.281 0.000 1.001 178 F HN 0.129 nan 8.300 nan 0.000 0.479 179 D N -0.464 119.890 120.400 -0.077 0.000 2.097 179 D HA -0.201 4.440 4.640 0.001 0.000 0.195 179 D C 2.185 178.356 176.300 -0.215 0.000 0.989 179 D CA 1.222 55.142 54.000 -0.134 0.000 0.827 179 D CB -0.529 40.191 40.800 -0.133 0.000 0.966 179 D HN 0.227 nan 8.370 nan 0.000 0.456 180 Q N -0.013 119.626 119.800 -0.268 0.000 2.061 180 Q HA -0.127 4.214 4.340 0.001 0.000 0.204 180 Q C 1.968 177.683 176.000 -0.475 0.000 0.984 180 Q CA 1.385 56.948 55.803 -0.401 0.000 0.846 180 Q CB -0.175 28.320 28.738 -0.404 0.000 0.902 180 Q HN 0.109 nan 8.270 nan 0.000 0.421 181 M N -0.395 118.991 119.600 -0.358 0.000 2.117 181 M HA -0.022 4.458 4.480 0.001 0.000 0.262 181 M C 2.166 178.311 176.300 -0.258 0.000 1.065 181 M CA 1.687 56.818 55.300 -0.282 0.000 1.114 181 M CB -1.661 30.800 32.600 -0.231 0.000 1.361 181 M HN 0.356 nan 8.290 nan 0.000 0.408 182 A N -0.114 122.558 122.820 -0.247 0.000 2.019 182 A HA 0.121 4.442 4.320 0.001 0.000 0.219 182 A C 2.248 179.683 177.584 -0.248 0.000 1.164 182 A CA 1.765 53.673 52.037 -0.215 0.000 0.644 182 A CB -0.661 18.241 19.000 -0.163 0.000 0.805 182 A HN 0.492 nan 8.150 nan 0.000 0.449 183 A N -1.213 121.437 122.820 -0.283 0.000 2.238 183 A HA 0.323 4.643 4.320 0.001 0.000 0.210 183 A C 1.489 178.859 177.584 -0.357 0.000 1.179 183 A CA 0.883 52.739 52.037 -0.303 0.000 0.827 183 A CB -0.026 18.816 19.000 -0.263 0.000 0.856 183 A HN 0.299 nan 8.150 nan 0.000 0.488 184 S N -0.224 115.270 115.700 -0.343 0.000 2.588 184 S HA 0.294 4.764 4.470 0.001 0.000 0.245 184 S C -0.177 174.463 174.600 0.067 0.000 1.021 184 S CA -0.296 57.800 58.200 -0.174 0.000 1.006 184 S CB -0.468 62.493 63.200 -0.400 0.000 0.830 184 S HN 0.705 nan 8.310 nan 0.000 0.468 185 H N -0.763 118.273 119.070 -0.057 0.000 2.899 185 H HA -0.123 4.434 4.556 0.001 0.000 0.282 185 H C -0.185 175.112 175.328 -0.052 0.000 1.198 185 H CA 0.429 56.450 56.048 -0.045 0.000 1.140 185 H CB -2.331 27.424 29.762 -0.013 0.000 1.317 185 H HN 0.255 nan 8.280 nan 0.000 0.375 186 V N 0.092 120.001 119.914 -0.008 0.000 2.583 186 V HA 0.132 4.253 4.120 0.001 0.000 0.287 186 V C 1.203 177.191 176.094 -0.177 0.000 1.051 186 V CA 0.818 63.096 62.300 -0.036 0.000 1.010 186 V CB 1.877 33.703 31.823 0.004 0.000 0.988 186 V HN 0.435 nan 8.190 nan 0.000 0.478 187 S N 2.450 117.942 115.700 -0.346 0.000 2.468 187 S HA 0.234 4.705 4.470 0.001 0.000 0.226 187 S C -0.048 174.188 174.600 -0.606 0.000 1.051 187 S CA 0.537 58.358 58.200 -0.632 0.000 0.943 187 S CB 0.120 62.623 63.200 -1.161 0.000 0.810 187 S HN 0.692 nan 8.310 nan 0.000 0.509 188 Y N 0.554 120.819 120.300 -0.058 0.000 2.462 188 Y HA 0.608 5.159 4.550 0.001 0.000 0.346 188 Y C -0.428 175.406 175.900 -0.111 0.000 0.976 188 Y CA -1.271 56.771 58.100 -0.095 0.000 1.044 188 Y CB 1.093 39.492 38.460 -0.101 0.000 1.230 188 Y HN -0.058 nan 8.280 nan 0.000 0.455 189 I N 2.920 123.492 120.570 0.004 0.000 2.404 189 I HA 0.345 4.515 4.170 0.001 0.000 0.293 189 I C -0.313 175.777 176.117 -0.044 0.000 0.992 189 I CA -0.816 60.433 61.300 -0.086 0.000 1.149 189 I CB 1.766 39.591 38.000 -0.292 0.000 1.315 189 I HN 0.665 nan 8.210 nan 0.000 0.446 190 R N 7.099 127.595 120.500 -0.006 0.000 2.215 190 R HA 0.463 4.804 4.340 0.001 0.000 0.336 190 R C -1.098 175.292 176.300 0.149 0.000 0.996 190 R CA -0.585 55.542 56.100 0.045 0.000 0.847 190 R CB 0.677 30.987 30.300 0.017 0.000 1.127 190 R HN 0.574 nan 8.270 nan 0.000 0.465 191 L N 4.802 126.121 121.223 0.159 0.000 2.385 191 L HA 0.119 4.460 4.340 0.001 0.000 0.285 191 L C 0.087 177.120 176.870 0.272 0.000 1.125 191 L CA -0.286 54.681 54.840 0.212 0.000 0.890 191 L CB 0.410 42.588 42.059 0.198 0.000 1.251 191 L HN 0.643 nan 8.230 nan 0.000 0.445 192 D N 3.476 124.062 120.400 0.310 0.000 2.425 192 D HA 0.259 4.900 4.640 0.001 0.000 0.247 192 D C 1.023 177.521 176.300 0.331 0.000 1.147 192 D CA 0.511 54.715 54.000 0.340 0.000 0.879 192 D CB 0.985 42.039 40.800 0.423 0.000 1.179 192 D HN 0.676 nan 8.370 nan 0.000 0.456 193 A N 2.785 125.828 122.820 0.372 0.000 2.744 193 A HA -0.233 4.088 4.320 0.001 0.000 0.300 193 A C 1.720 179.639 177.584 0.558 0.000 1.512 193 A CA 0.905 53.282 52.037 0.566 0.000 0.851 193 A CB -1.978 17.405 19.000 0.639 0.000 0.987 193 A HN 0.661 nan 8.150 nan 0.000 0.507 194 V N -0.177 119.966 119.914 0.383 0.000 2.720 194 V HA -0.099 4.022 4.120 0.001 0.000 0.256 194 V C 2.329 178.556 176.094 0.221 0.000 1.082 194 V CA 2.984 65.454 62.300 0.284 0.000 1.101 194 V CB -0.614 31.340 31.823 0.217 0.000 0.693 194 V HN 1.123 nan 8.190 nan 0.000 0.479 195 G N -1.804 107.109 108.800 0.189 0.000 2.498 195 G HA2 -0.236 3.725 3.960 0.001 0.000 0.219 195 G HA3 -0.236 3.725 3.960 0.001 0.000 0.219 195 G C 1.145 175.970 174.900 -0.125 0.000 1.119 195 G CA 0.923 45.914 45.100 -0.181 0.000 0.766 195 G HN 0.644 nan 8.290 nan 0.000 0.552 196 Y N 0.187 120.681 120.300 0.324 0.000 2.462 196 Y HA 0.237 4.788 4.550 0.001 0.000 0.261 196 Y C 2.689 178.685 175.900 0.161 0.000 1.146 196 Y CA -0.131 58.169 58.100 0.334 0.000 1.283 196 Y CB 0.197 38.896 38.460 0.398 0.000 1.090 196 Y HN 0.153 nan 8.280 nan 0.000 0.526 197 G N 0.578 109.541 108.800 0.270 0.000 2.501 197 G HA2 -0.014 3.947 3.960 0.001 0.000 0.220 197 G HA3 -0.014 3.947 3.960 0.001 0.000 0.220 197 G C 0.523 175.451 174.900 0.046 0.000 1.114 197 G CA 0.731 45.927 45.100 0.161 0.000 0.757 197 G HN 0.323 nan 8.290 nan 0.000 0.559 198 A N -0.305 122.514 122.820 -0.002 0.000 2.330 198 A HA 0.777 5.098 4.320 0.001 0.000 0.313 198 A C -0.693 176.812 177.584 -0.132 0.000 1.124 198 A CA -0.687 51.304 52.037 -0.077 0.000 0.774 198 A CB 1.520 20.471 19.000 -0.082 0.000 1.198 198 A HN 0.081 nan 8.150 nan 0.000 0.465 199 K N 1.022 121.289 120.400 -0.223 0.000 2.207 199 K HA 0.715 5.036 4.320 0.001 0.000 0.255 199 K C -0.853 175.612 176.600 -0.227 0.000 0.941 199 K CA -0.307 55.795 56.287 -0.310 0.000 0.825 199 K CB 1.820 33.914 32.500 -0.678 0.000 1.119 199 K HN 0.679 nan 8.250 nan 0.000 0.430 200 E N 1.038 121.136 120.200 -0.170 0.000 2.343 200 E HA 0.503 4.853 4.350 0.001 0.000 0.288 200 E C -1.610 174.917 176.600 -0.121 0.000 0.907 200 E CA -0.512 55.800 56.400 -0.148 0.000 0.792 200 E CB 1.357 31.000 29.700 -0.094 0.000 1.275 200 E HN 0.611 nan 8.360 nan 0.000 0.402 201 A N 2.706 125.385 122.820 -0.234 0.000 2.565 201 A HA 0.456 4.777 4.320 0.001 0.000 0.237 201 A C 1.408 179.067 177.584 0.125 0.000 1.053 201 A CA 1.144 53.101 52.037 -0.133 0.000 0.755 201 A CB -0.555 18.368 19.000 -0.129 0.000 0.980 201 A HN 1.634 nan 8.150 nan 0.000 0.506 202 G N 1.263 110.235 108.800 0.287 0.000 2.199 202 G HA2 -0.161 3.800 3.960 0.001 0.000 0.254 202 G HA3 -0.161 3.800 3.960 0.001 0.000 0.254 202 G C 0.606 175.593 174.900 0.145 0.000 0.982 202 G CA 1.211 46.427 45.100 0.194 0.000 0.632 202 G HN 2.254 nan 8.290 nan 0.000 0.529 203 T N -2.151 112.487 114.554 0.141 0.000 2.938 203 T HA 0.689 5.040 4.350 0.001 0.000 0.285 203 T C 1.641 176.441 174.700 0.166 0.000 1.028 203 T CA 0.855 63.020 62.100 0.108 0.000 1.005 203 T CB 1.512 70.406 68.868 0.042 0.000 1.157 203 T HN 1.086 nan 8.240 nan 0.000 0.550 204 S N -1.017 114.774 115.700 0.152 0.000 2.515 204 S HA -0.001 4.470 4.470 0.001 0.000 0.231 204 S C 1.386 176.153 174.600 0.279 0.000 0.987 204 S CA 0.331 58.665 58.200 0.223 0.000 0.936 204 S CB -1.468 61.861 63.200 0.215 0.000 0.766 204 S HN 1.112 nan 8.310 nan 0.000 0.528 205 C N -0.324 119.091 119.300 0.193 0.000 4.358 205 C HA -0.164 4.296 4.460 0.001 0.000 0.287 205 C C -0.131 174.990 174.990 0.218 0.000 1.414 205 C CA 0.608 59.728 59.018 0.170 0.000 1.949 205 C CB -3.120 24.777 27.740 0.262 0.000 1.274 205 C HN 0.787 nan 8.230 nan 0.000 0.793 206 F N -0.015 119.927 119.950 -0.014 0.000 2.579 206 F HA 0.668 5.196 4.527 0.001 0.000 0.325 206 F C 0.284 175.997 175.800 -0.145 0.000 1.162 206 F CA -1.140 56.785 58.000 -0.126 0.000 0.946 206 F CB 0.598 39.507 39.000 -0.152 0.000 1.211 206 F HN 0.139 nan 8.300 nan 0.000 0.447 207 M N 3.904 123.075 119.600 -0.714 0.000 2.212 207 M HA -0.180 4.300 4.480 0.001 0.000 0.193 207 M C -0.067 175.957 176.300 -0.461 0.000 0.493 207 M CA 1.349 56.340 55.300 -0.514 0.000 0.427 207 M CB -2.767 29.497 32.600 -0.560 0.000 1.120 207 M HN 0.689 nan 8.290 nan 0.000 0.929 208 T N -3.388 110.816 114.554 -0.583 0.000 2.922 208 T HA 0.662 5.013 4.350 0.001 0.000 0.281 208 T C -1.847 172.151 174.700 -1.171 0.000 1.005 208 T CA -1.600 60.109 62.100 -0.652 0.000 0.982 208 T CB 1.942 70.619 68.868 -0.318 0.000 1.158 208 T HN -0.015 nan 8.240 nan 0.000 0.566 209 P HA -0.028 nan 4.420 nan 0.000 0.218 209 P C 1.427 178.513 177.300 -0.357 0.000 1.148 209 P CA 1.043 63.783 63.100 -0.600 0.000 0.822 209 P CB 0.089 31.669 31.700 -0.201 0.000 0.784 210 K N -0.799 119.427 120.400 -0.291 0.000 2.097 210 K HA -0.095 4.226 4.320 0.001 0.000 0.205 210 K C 1.633 178.139 176.600 -0.158 0.000 1.050 210 K CA 1.610 57.792 56.287 -0.174 0.000 0.938 210 K CB -0.384 32.028 32.500 -0.146 0.000 0.718 210 K HN 0.068 nan 8.250 nan 0.000 0.442 211 T N 0.856 115.260 114.554 -0.249 0.000 2.777 211 T HA -0.093 4.257 4.350 0.001 0.000 0.266 211 T C 1.428 176.149 174.700 0.035 0.000 1.040 211 T CA 1.129 63.146 62.100 -0.138 0.000 1.141 211 T CB -0.263 68.477 68.868 -0.214 0.000 0.868 211 T HN 0.106 nan 8.240 nan 0.000 0.444 212 F N 1.816 121.734 119.950 -0.053 0.000 2.161 212 F HA 0.059 4.587 4.527 0.001 0.000 0.300 212 F C 2.284 178.067 175.800 -0.028 0.000 1.089 212 F CA 0.235 58.211 58.000 -0.039 0.000 1.282 212 F CB -0.880 38.097 39.000 -0.039 0.000 1.010 212 F HN 0.134 nan 8.300 nan 0.000 0.485 213 K N 0.385 120.862 120.400 0.128 0.000 2.057 213 K HA -0.188 4.133 4.320 0.001 0.000 0.207 213 K C 2.161 178.777 176.600 0.027 0.000 1.049 213 K CA 1.035 57.350 56.287 0.046 0.000 0.931 213 K CB -0.403 32.087 32.500 -0.017 0.000 0.714 213 K HN 0.201 nan 8.250 nan 0.000 0.440 214 L N 1.547 122.790 121.223 0.035 0.000 2.017 214 L HA -0.120 4.221 4.340 0.001 0.000 0.208 214 L C 1.926 178.867 176.870 0.118 0.000 1.073 214 L CA 1.572 56.450 54.840 0.064 0.000 0.745 214 L CB -0.318 41.786 42.059 0.075 0.000 0.894 214 L HN 0.229 nan 8.230 nan 0.000 0.432 215 I N -1.023 119.622 120.570 0.125 0.000 2.208 215 I HA -0.310 3.861 4.170 0.001 0.000 0.245 215 I C 2.389 178.572 176.117 0.111 0.000 1.097 215 I CA 1.467 62.845 61.300 0.130 0.000 1.363 215 I CB -0.459 37.617 38.000 0.127 0.000 1.051 215 I HN 0.230 nan 8.210 nan 0.000 0.413 216 S N 0.069 115.822 115.700 0.089 0.000 2.382 216 S HA -0.190 4.280 4.470 0.001 0.000 0.228 216 S C 2.078 176.721 174.600 0.071 0.000 1.027 216 S CA 1.175 59.413 58.200 0.063 0.000 0.991 216 S CB -0.303 62.922 63.200 0.042 0.000 0.823 216 S HN 0.353 nan 8.310 nan 0.000 0.469 217 R N 0.800 121.342 120.500 0.069 0.000 2.075 217 R HA 0.031 4.372 4.340 0.001 0.000 0.232 217 R C 2.105 178.530 176.300 0.209 0.000 1.126 217 R CA 1.036 57.185 56.100 0.082 0.000 0.963 217 R CB -0.310 29.961 30.300 -0.049 0.000 0.858 217 R HN 0.349 nan 8.270 nan 0.000 0.435 218 L N 0.035 121.395 121.223 0.228 0.000 2.141 218 L HA -0.127 4.213 4.340 0.001 0.000 0.209 218 L C 2.823 179.834 176.870 0.234 0.000 1.094 218 L CA 1.197 56.146 54.840 0.181 0.000 0.763 218 L CB -0.403 41.770 42.059 0.190 0.000 0.908 218 L HN 0.242 nan 8.230 nan 0.000 0.437 219 R N 0.475 121.081 120.500 0.177 0.000 2.075 219 R HA -0.170 4.171 4.340 0.001 0.000 0.232 219 R C 2.109 178.489 176.300 0.133 0.000 1.126 219 R CA 1.496 57.683 56.100 0.145 0.000 0.963 219 R CB -0.036 30.316 30.300 0.086 0.000 0.858 219 R HN 0.418 nan 8.270 nan 0.000 0.435 220 E N 0.075 120.343 120.200 0.113 0.000 2.085 220 E HA -0.195 4.155 4.350 0.001 0.000 0.194 220 E C 1.883 178.552 176.600 0.114 0.000 0.994 220 E CA 1.062 57.517 56.400 0.092 0.000 0.801 220 E CB -0.001 29.742 29.700 0.072 0.000 0.743 220 E HN 0.337 nan 8.360 nan 0.000 0.453 221 E N 0.115 120.404 120.200 0.147 0.000 2.153 221 E HA -0.114 4.237 4.350 0.001 0.000 0.194 221 E C 2.140 178.896 176.600 0.260 0.000 0.988 221 E CA 0.973 57.457 56.400 0.141 0.000 0.811 221 E CB -0.353 29.321 29.700 -0.043 0.000 0.746 221 E HN 0.364 nan 8.360 nan 0.000 0.466 222 G N 0.966 109.963 108.800 0.328 0.000 2.394 222 G HA2 -0.180 3.781 3.960 0.001 0.000 0.214 222 G HA3 -0.180 3.781 3.960 0.001 0.000 0.214 222 G C 1.856 176.810 174.900 0.090 0.000 1.176 222 G CA 0.758 45.989 45.100 0.218 0.000 0.786 222 G HN 0.173 nan 8.290 nan 0.000 0.533 223 V N 1.205 121.168 119.914 0.081 0.000 2.282 223 V HA -0.235 3.885 4.120 0.001 0.000 0.249 223 V C 2.692 178.806 176.094 0.032 0.000 1.057 223 V CA 2.381 64.707 62.300 0.043 0.000 1.032 223 V CB -0.483 31.364 31.823 0.039 0.000 0.645 223 V HN 0.467 nan 8.190 nan 0.000 0.447 224 K N 0.078 120.506 120.400 0.046 0.000 2.160 224 K HA -0.194 4.127 4.320 0.001 0.000 0.206 224 K C 2.011 178.620 176.600 0.015 0.000 1.047 224 K CA 1.610 57.916 56.287 0.031 0.000 0.930 224 K CB -0.063 32.462 32.500 0.041 0.000 0.720 224 K HN 0.412 nan 8.250 nan 0.000 0.450 225 R N -1.133 119.379 120.500 0.020 0.000 2.362 225 R HA 0.106 4.447 4.340 0.001 0.000 0.227 225 R C 0.637 176.911 176.300 -0.043 0.000 0.905 225 R CA 0.464 56.555 56.100 -0.015 0.000 1.067 225 R CB 0.757 31.052 30.300 -0.008 0.000 1.078 225 R HN 0.400 nan 8.270 nan 0.000 0.516 226 G N 1.609 110.392 108.800 -0.028 0.000 2.176 226 G HA2 -0.270 3.690 3.960 0.001 0.000 0.252 226 G HA3 -0.270 3.690 3.960 0.001 0.000 0.252 226 G C -0.112 174.755 174.900 -0.054 0.000 1.024 226 G CA -0.045 45.032 45.100 -0.039 0.000 0.755 226 G HN 0.170 nan 8.290 nan 0.000 0.507 227 L N 0.146 121.336 121.223 -0.056 0.000 2.317 227 L HA 0.559 4.900 4.340 0.001 0.000 0.281 227 L C 0.494 177.346 176.870 -0.029 0.000 1.024 227 L CA -0.932 53.859 54.840 -0.080 0.000 0.810 227 L CB 1.420 43.373 42.059 -0.177 0.000 1.240 227 L HN 0.176 nan 8.230 nan 0.000 0.427 228 E N 3.669 123.883 120.200 0.023 0.000 2.277 228 E HA 0.514 4.864 4.350 0.001 0.000 0.274 228 E C -0.817 175.790 176.600 0.013 0.000 1.022 228 E CA -0.674 55.752 56.400 0.044 0.000 0.853 228 E CB 2.518 32.283 29.700 0.109 0.000 1.086 228 E HN 0.466 nan 8.360 nan 0.000 0.397 229 I N -0.320 120.244 120.570 -0.010 0.000 2.530 229 I HA 0.531 4.702 4.170 0.001 0.000 0.297 229 I C -1.189 174.894 176.117 -0.057 0.000 1.011 229 I CA -1.284 60.003 61.300 -0.022 0.000 1.107 229 I CB 1.299 39.314 38.000 0.026 0.000 1.285 229 I HN 0.302 nan 8.210 nan 0.000 0.436 230 L N 7.948 129.124 121.223 -0.077 0.000 2.333 230 L HA 0.674 5.015 4.340 0.001 0.000 0.280 230 L C -0.680 176.165 176.870 -0.042 0.000 1.004 230 L CA -0.569 54.182 54.840 -0.149 0.000 0.820 230 L CB 1.616 43.502 42.059 -0.289 0.000 1.247 230 L HN 0.739 nan 8.230 nan 0.000 0.416 231 I N 1.061 121.627 120.570 -0.006 0.000 2.460 231 I HA 0.573 4.743 4.170 0.001 0.000 0.298 231 I C -0.458 175.804 176.117 0.241 0.000 0.989 231 I CA -0.591 60.781 61.300 0.119 0.000 1.173 231 I CB 1.758 39.821 38.000 0.105 0.000 1.338 231 I HN 0.796 nan 8.210 nan 0.000 0.456 232 E N 5.976 126.389 120.200 0.356 0.000 2.115 232 E HA 0.495 4.846 4.350 0.001 0.000 0.282 232 E C -1.692 175.134 176.600 0.376 0.000 0.987 232 E CA -0.590 56.094 56.400 0.474 0.000 0.797 232 E CB 1.607 31.570 29.700 0.438 0.000 1.086 232 E HN 0.651 nan 8.360 nan 0.000 0.397 233 V N 5.889 126.034 119.914 0.385 0.000 2.532 233 V HA 0.169 4.290 4.120 0.001 0.000 0.294 233 V C -0.844 175.454 176.094 0.339 0.000 1.036 233 V CA -0.843 61.660 62.300 0.339 0.000 0.876 233 V CB 1.489 33.447 31.823 0.225 0.000 1.012 233 V HN 0.705 nan 8.190 nan 0.000 0.432 234 H N 3.782 123.096 119.070 0.406 0.000 2.641 234 H HA 0.731 5.288 4.556 0.001 0.000 0.295 234 H C 0.188 175.702 175.328 0.310 0.000 1.070 234 H CA 0.204 56.383 56.048 0.220 0.000 1.257 234 H CB 1.806 31.575 29.762 0.012 0.000 1.393 234 H HN 0.832 nan 8.280 nan 0.000 0.464 235 S N 2.563 118.490 115.700 0.378 0.000 2.703 235 S HA 0.141 4.612 4.470 0.001 0.000 0.273 235 S C -1.062 173.705 174.600 0.279 0.000 1.178 235 S CA -1.033 57.361 58.200 0.324 0.000 0.838 235 S CB 1.411 64.868 63.200 0.427 0.000 1.178 235 S HN 0.365 nan 8.310 nan 0.000 0.494 236 Y N 2.589 122.953 120.300 0.107 0.000 2.717 236 Y HA 0.147 4.698 4.550 0.001 0.000 0.330 236 Y C 1.599 177.551 175.900 0.087 0.000 1.217 236 Y CA -0.263 57.882 58.100 0.075 0.000 1.506 236 Y CB 0.078 38.538 38.460 -0.001 0.000 1.268 236 Y HN 0.820 nan 8.280 nan 0.000 0.561 237 Y N 3.377 123.468 120.300 -0.348 0.000 2.181 237 Y HA -0.258 4.292 4.550 0.001 0.000 0.284 237 Y C 1.715 177.508 175.900 -0.179 0.000 1.179 237 Y CA 1.975 59.929 58.100 -0.244 0.000 1.179 237 Y CB -0.411 37.878 38.460 -0.286 0.000 0.973 237 Y HN 0.563 nan 8.280 nan 0.000 0.519 238 K N 0.708 120.395 120.400 -1.189 0.000 2.209 238 K HA -0.134 4.187 4.320 0.001 0.000 0.204 238 K C 1.924 178.430 176.600 -0.156 0.000 1.048 238 K CA 1.697 57.607 56.287 -0.628 0.000 0.940 238 K CB -0.156 31.989 32.500 -0.592 0.000 0.729 238 K HN 0.475 nan 8.250 nan 0.000 0.451 239 K N 0.519 120.890 120.400 -0.048 0.000 2.155 239 K HA -0.096 4.225 4.320 0.001 0.000 0.203 239 K C 2.183 178.805 176.600 0.037 0.000 1.052 239 K CA 0.814 57.130 56.287 0.048 0.000 0.948 239 K CB 0.087 32.654 32.500 0.110 0.000 0.728 239 K HN 0.149 nan 8.250 nan 0.000 0.448 240 Q N 0.539 120.385 119.800 0.077 0.000 2.079 240 Q HA -0.098 4.243 4.340 0.001 0.000 0.200 240 Q C 2.304 178.352 176.000 0.081 0.000 0.974 240 Q CA 1.139 57.010 55.803 0.114 0.000 0.840 240 Q CB -0.096 28.769 28.738 0.213 0.000 0.898 240 Q HN 0.135 nan 8.270 nan 0.000 0.430 241 V N 1.185 121.157 119.914 0.097 0.000 2.295 241 V HA -0.264 3.857 4.120 0.001 0.000 0.246 241 V C 2.292 178.374 176.094 -0.020 0.000 1.049 241 V CA 2.183 64.516 62.300 0.055 0.000 1.024 241 V CB -0.549 31.325 31.823 0.086 0.000 0.648 241 V HN 0.426 nan 8.190 nan 0.000 0.447 242 E N -0.161 120.013 120.200 -0.044 0.000 2.072 242 E HA -0.232 4.118 4.350 0.001 0.000 0.191 242 E C 2.088 178.581 176.600 -0.179 0.000 0.985 242 E CA 1.426 57.765 56.400 -0.101 0.000 0.801 242 E CB -0.141 29.500 29.700 -0.098 0.000 0.750 242 E HN 0.488 nan 8.360 nan 0.000 0.452 243 I N 0.765 121.228 120.570 -0.179 0.000 2.546 243 I HA -0.059 4.111 4.170 0.001 0.000 0.255 243 I C 2.013 178.047 176.117 -0.139 0.000 1.163 243 I CA 1.094 62.258 61.300 -0.226 0.000 1.457 243 I CB -0.274 37.635 38.000 -0.153 0.000 1.092 243 I HN 0.205 nan 8.210 nan 0.000 0.434 244 A N -0.160 122.608 122.820 -0.087 0.000 1.986 244 A HA -0.262 4.059 4.320 0.001 0.000 0.220 244 A C 2.455 179.990 177.584 -0.082 0.000 1.171 244 A CA 2.135 54.128 52.037 -0.072 0.000 0.640 244 A CB -1.222 17.744 19.000 -0.056 0.000 0.811 244 A HN 0.601 nan 8.150 nan 0.000 0.451 245 S N -0.823 114.823 115.700 -0.091 0.000 2.555 245 S HA 0.002 4.473 4.470 0.001 0.000 0.230 245 S C 1.313 175.864 174.600 -0.081 0.000 0.978 245 S CA 1.067 59.218 58.200 -0.081 0.000 0.934 245 S CB -0.190 62.963 63.200 -0.078 0.000 0.766 245 S HN 0.639 nan 8.310 nan 0.000 0.533 246 K N 0.901 121.242 120.400 -0.098 0.000 2.358 246 K HA 0.283 4.603 4.320 0.001 0.000 0.197 246 K C 0.146 176.714 176.600 -0.054 0.000 1.025 246 K CA 0.143 56.378 56.287 -0.086 0.000 1.104 246 K CB 1.048 33.470 32.500 -0.131 0.000 0.855 246 K HN 0.481 nan 8.250 nan 0.000 0.531 247 V N -2.966 116.916 119.914 -0.054 0.000 3.102 247 V HA 0.300 4.421 4.120 0.001 0.000 0.312 247 V C 0.253 176.317 176.094 -0.051 0.000 1.135 247 V CA -0.953 61.324 62.300 -0.037 0.000 1.022 247 V CB 1.958 33.763 31.823 -0.030 0.000 1.056 247 V HN -0.159 nan 8.190 nan 0.000 0.436 248 D N 0.677 121.048 120.400 -0.049 0.000 2.117 248 D HA 0.004 4.645 4.640 0.001 0.000 0.197 248 D C 0.542 176.780 176.300 -0.103 0.000 0.987 248 D CA 1.569 55.529 54.000 -0.067 0.000 0.829 248 D CB 0.187 40.950 40.800 -0.062 0.000 0.961 248 D HN 0.484 nan 8.370 nan 0.000 0.460 249 R N -0.395 120.032 120.500 -0.123 0.000 2.680 249 R HA 0.476 4.817 4.340 0.001 0.000 0.269 249 R C -0.683 175.514 176.300 -0.172 0.000 1.026 249 R CA -0.666 55.331 56.100 -0.171 0.000 0.889 249 R CB 2.452 32.602 30.300 -0.249 0.000 1.241 249 R HN -0.062 nan 8.270 nan 0.000 0.463 250 V N -1.452 118.353 119.914 -0.182 0.000 3.102 250 V HA 0.622 4.743 4.120 0.001 0.000 0.312 250 V C -0.810 175.135 176.094 -0.247 0.000 1.135 250 V CA -1.077 61.133 62.300 -0.150 0.000 1.022 250 V CB 1.813 33.604 31.823 -0.053 0.000 1.056 250 V HN 0.592 nan 8.190 nan 0.000 0.436 251 Y N 0.382 120.475 120.300 -0.346 0.000 2.301 251 Y HA 0.466 5.017 4.550 0.001 0.000 0.328 251 Y C 0.633 176.233 175.900 -0.500 0.000 1.242 251 Y CA 0.288 58.022 58.100 -0.609 0.000 1.323 251 Y CB 0.875 38.455 38.460 -1.466 0.000 1.266 251 Y HN 0.807 nan 8.280 nan 0.000 0.527 252 D N 2.157 122.465 120.400 -0.153 0.000 2.485 252 D HA 0.106 4.747 4.640 0.001 0.000 0.221 252 D C -0.453 175.861 176.300 0.024 0.000 1.112 252 D CA -0.055 53.984 54.000 0.065 0.000 0.911 252 D CB -0.093 40.812 40.800 0.175 0.000 1.019 252 D HN 0.350 nan 8.370 nan 0.000 0.516 253 F N 1.693 121.720 119.950 0.129 0.000 2.765 253 F HA 0.243 4.771 4.527 0.001 0.000 0.302 253 F C 2.139 177.909 175.800 -0.051 0.000 1.111 253 F CA -0.132 57.898 58.000 0.050 0.000 1.359 253 F CB -0.149 38.884 39.000 0.054 0.000 1.097 253 F HN 0.472 nan 8.300 nan 0.000 0.577 254 A N -0.396 122.381 122.820 -0.071 0.000 1.935 254 A HA -0.019 4.301 4.320 0.001 0.000 0.214 254 A C 2.088 179.482 177.584 -0.317 0.000 1.178 254 A CA 0.700 52.465 52.037 -0.452 0.000 0.640 254 A CB -0.726 17.407 19.000 -1.447 0.000 0.825 254 A HN 0.264 nan 8.150 nan 0.000 0.447 255 L N 0.621 121.762 121.223 -0.137 0.000 2.012 255 L HA -0.062 4.279 4.340 0.001 0.000 0.210 255 L C -0.772 176.136 176.870 0.063 0.000 1.073 255 L CA 2.335 57.184 54.840 0.015 0.000 0.748 255 L CB -1.158 40.973 42.059 0.120 0.000 0.891 255 L HN 0.147 nan 8.230 nan 0.000 0.431 256 P HA -0.165 nan 4.420 nan 0.000 0.214 256 P C -1.417 176.042 177.300 0.265 0.000 1.169 256 P CA 2.563 65.778 63.100 0.191 0.000 0.908 256 P CB -1.338 30.482 31.700 0.199 0.000 0.791 257 P HA -0.063 nan 4.420 nan 0.000 0.222 257 P C 1.644 179.006 177.300 0.103 0.000 1.153 257 P CA 1.243 64.405 63.100 0.104 0.000 0.798 257 P CB -0.384 31.337 31.700 0.035 0.000 0.796 258 L N -0.907 120.356 121.223 0.068 0.000 2.083 258 L HA -0.118 4.223 4.340 0.001 0.000 0.209 258 L C 2.779 179.777 176.870 0.213 0.000 1.083 258 L CA 1.181 56.087 54.840 0.108 0.000 0.752 258 L CB -0.800 41.282 42.059 0.038 0.000 0.899 258 L HN -0.082 nan 8.230 nan 0.000 0.433 259 L N -0.796 120.548 121.223 0.201 0.000 2.109 259 L HA -0.179 4.161 4.340 0.001 0.000 0.207 259 L C 2.456 179.453 176.870 0.213 0.000 1.086 259 L CA 0.850 55.829 54.840 0.231 0.000 0.760 259 L CB -0.294 41.884 42.059 0.199 0.000 0.910 259 L HN 0.263 nan 8.230 nan 0.000 0.437 260 L N -0.849 120.483 121.223 0.181 0.000 2.083 260 L HA -0.261 4.080 4.340 0.001 0.000 0.209 260 L C 2.658 179.562 176.870 0.057 0.000 1.083 260 L CA 1.237 56.109 54.840 0.054 0.000 0.752 260 L CB -0.668 41.376 42.059 -0.024 0.000 0.899 260 L HN 0.348 nan 8.230 nan 0.000 0.433 261 H N 0.145 119.228 119.070 0.022 0.000 2.321 261 H HA -0.129 4.427 4.556 0.001 0.000 0.300 261 H C 2.136 177.468 175.328 0.005 0.000 1.087 261 H CA 1.681 57.733 56.048 0.006 0.000 1.319 261 H CB 0.035 29.816 29.762 0.033 0.000 1.379 261 H HN 0.247 nan 8.280 nan 0.000 0.501 262 A N 0.602 123.430 122.820 0.014 0.000 1.902 262 A HA -0.097 4.223 4.320 0.001 0.000 0.217 262 A C 2.542 180.056 177.584 -0.116 0.000 1.181 262 A CA 1.628 53.650 52.037 -0.024 0.000 0.623 262 A CB -0.923 18.239 19.000 0.271 0.000 0.818 262 A HN 0.484 nan 8.150 nan 0.000 0.443 263 L N 0.390 121.583 121.223 -0.049 0.000 2.201 263 L HA -0.140 4.201 4.340 0.001 0.000 0.212 263 L C 2.870 179.559 176.870 -0.302 0.000 1.105 263 L CA 1.434 56.139 54.840 -0.224 0.000 0.775 263 L CB -0.295 41.636 42.059 -0.213 0.000 0.913 263 L HN 0.611 nan 8.230 nan 0.000 0.440 264 S N -2.020 113.550 115.700 -0.217 0.000 2.439 264 S HA -0.090 4.381 4.470 0.001 0.000 0.224 264 S C 1.873 176.327 174.600 -0.242 0.000 1.029 264 S CA 0.862 58.951 58.200 -0.185 0.000 0.946 264 S CB -0.336 62.784 63.200 -0.134 0.000 0.797 264 S HN 0.508 nan 8.310 nan 0.000 0.504 265 T N -3.521 110.803 114.554 -0.384 0.000 3.000 265 T HA 0.533 4.884 4.350 0.001 0.000 0.248 265 T C 1.694 176.082 174.700 -0.519 0.000 1.034 265 T CA 0.870 62.646 62.100 -0.540 0.000 1.060 265 T CB -0.007 68.314 68.868 -0.912 0.000 0.983 265 T HN 1.199 nan 8.240 nan 0.000 0.482 266 G N 1.140 109.711 108.800 -0.381 0.000 2.175 266 G HA2 -0.209 3.752 3.960 0.001 0.000 0.244 266 G HA3 -0.209 3.752 3.960 0.001 0.000 0.244 266 G C -0.088 174.754 174.900 -0.097 0.000 0.982 266 G CA 0.024 44.983 45.100 -0.235 0.000 0.641 266 G HN 0.791 nan 8.290 nan 0.000 0.527 267 H N 0.460 119.427 119.070 -0.171 0.000 2.800 267 H HA 0.376 4.932 4.556 0.001 0.000 0.291 267 H C 1.456 176.794 175.328 0.017 0.000 1.076 267 H CA -0.066 55.942 56.048 -0.067 0.000 1.452 267 H CB 1.509 31.258 29.762 -0.021 0.000 1.461 267 H HN 0.394 nan 8.280 nan 0.000 0.488 268 V N 0.355 120.366 119.914 0.162 0.000 3.643 268 V HA -0.013 4.108 4.120 0.001 0.000 0.280 268 V C 1.822 178.040 176.094 0.207 0.000 1.351 268 V CA 0.117 62.532 62.300 0.192 0.000 1.073 268 V CB 0.639 32.540 31.823 0.131 0.000 0.863 268 V HN 0.646 nan 8.190 nan 0.000 0.436 269 E N 2.337 122.634 120.200 0.162 0.000 2.070 269 E HA -0.171 4.180 4.350 0.001 0.000 0.197 269 E C -0.124 176.594 176.600 0.197 0.000 1.004 269 E CA 2.535 59.021 56.400 0.143 0.000 0.805 269 E CB -1.288 28.453 29.700 0.068 0.000 0.744 269 E HN 0.514 nan 8.360 nan 0.000 0.451 270 P HA -0.102 nan 4.420 nan 0.000 0.216 270 P C 1.718 179.181 177.300 0.271 0.000 1.150 270 P CA 0.998 64.229 63.100 0.218 0.000 0.837 270 P CB 0.041 31.849 31.700 0.180 0.000 0.786 271 V N -0.057 120.033 119.914 0.292 0.000 2.358 271 V HA -0.208 3.913 4.120 0.001 0.000 0.246 271 V C 2.425 178.700 176.094 0.301 0.000 1.047 271 V CA 2.108 64.607 62.300 0.331 0.000 1.035 271 V CB -1.655 30.401 31.823 0.388 0.000 0.658 271 V HN 0.093 nan 8.190 nan 0.000 0.452 272 A N -0.289 122.685 122.820 0.257 0.000 1.877 272 A HA -0.300 4.021 4.320 0.001 0.000 0.216 272 A C 2.136 179.845 177.584 0.209 0.000 1.186 272 A CA 2.313 54.468 52.037 0.197 0.000 0.620 272 A CB -0.842 18.293 19.000 0.225 0.000 0.822 272 A HN 0.714 nan 8.150 nan 0.000 0.443 273 H N -1.831 117.336 119.070 0.161 0.000 2.353 273 H HA -0.192 4.364 4.556 0.001 0.000 0.300 273 H C 1.903 177.337 175.328 0.176 0.000 1.090 273 H CA 1.974 58.111 56.048 0.149 0.000 1.327 273 H CB -0.455 29.380 29.762 0.121 0.000 1.383 273 H HN 0.695 nan 8.280 nan 0.000 0.508 274 W N 0.889 122.118 121.300 -0.119 0.000 2.358 274 W HA -0.195 4.465 4.660 0.001 0.000 0.303 274 W C 1.476 177.912 176.519 -0.138 0.000 1.208 274 W CA 1.661 58.891 57.345 -0.192 0.000 1.274 274 W CB -0.177 29.230 29.460 -0.087 0.000 1.138 274 W HN 0.215 nan 8.180 nan 0.000 0.515 275 T N 0.497 114.976 114.554 -0.125 0.000 2.759 275 T HA -0.284 4.066 4.350 0.001 0.000 0.269 275 T C 1.091 175.637 174.700 -0.257 0.000 1.042 275 T CA 2.121 64.052 62.100 -0.281 0.000 1.140 275 T CB -0.583 68.069 68.868 -0.361 0.000 0.864 275 T HN 0.185 nan 8.240 nan 0.000 0.455 276 D N 1.224 121.545 120.400 -0.133 0.000 2.144 276 D HA -0.051 4.590 4.640 0.001 0.000 0.200 276 D C 1.849 178.078 176.300 -0.118 0.000 0.978 276 D CA 0.824 54.830 54.000 0.009 0.000 0.833 276 D CB -0.145 40.729 40.800 0.124 0.000 0.961 276 D HN 0.624 nan 8.370 nan 0.000 0.470 277 I N -1.979 118.420 120.570 -0.286 0.000 4.139 277 I HA 0.261 4.431 4.170 0.001 0.000 0.335 277 I C 0.469 176.314 176.117 -0.453 0.000 1.327 277 I CA -0.631 60.504 61.300 -0.274 0.000 1.112 277 I CB -0.082 37.803 38.000 -0.191 0.000 1.058 277 I HN -0.176 nan 8.210 nan 0.000 0.396 278 R N 2.564 122.531 120.500 -0.889 0.000 2.734 278 R HA 0.351 4.692 4.340 0.001 0.000 0.266 278 R C -2.513 173.430 176.300 -0.595 0.000 1.044 278 R CA -1.178 54.143 56.100 -1.298 0.000 1.128 278 R CB -1.000 28.090 30.300 -2.017 0.000 1.010 278 R HN 0.003 nan 8.270 nan 0.000 0.461 279 P HA 0.144 nan 4.420 nan 0.000 0.276 279 P C -0.841 176.332 177.300 -0.212 0.000 1.235 279 P CA -0.179 62.798 63.100 -0.206 0.000 0.772 279 P CB 0.727 32.364 31.700 -0.105 0.000 0.871 280 N N 1.178 119.779 118.700 -0.165 0.000 2.299 280 N HA -0.032 4.708 4.740 0.001 0.000 0.187 280 N C 0.147 175.588 175.510 -0.115 0.000 1.099 280 N CA -0.054 52.907 53.050 -0.149 0.000 0.867 280 N CB -0.178 38.239 38.487 -0.117 0.000 0.974 280 N HN 0.430 nan 8.380 nan 0.000 0.477 281 N N 1.363 119.997 118.700 -0.109 0.000 3.298 281 N HA 0.229 4.970 4.740 0.001 0.000 0.292 281 N C -0.901 174.528 175.510 -0.135 0.000 1.271 281 N CA -0.148 52.836 53.050 -0.110 0.000 1.184 281 N CB 0.423 38.854 38.487 -0.095 0.000 1.452 281 N HN -0.033 nan 8.380 nan 0.000 0.534 282 A N 0.137 122.869 122.820 -0.147 0.000 2.387 282 A HA 0.743 5.064 4.320 0.001 0.000 0.298 282 A C -0.821 176.639 177.584 -0.207 0.000 1.165 282 A CA -0.720 51.217 52.037 -0.167 0.000 0.814 282 A CB 1.707 20.636 19.000 -0.118 0.000 1.357 282 A HN 0.179 nan 8.150 nan 0.000 0.443 283 V N 1.606 121.369 119.914 -0.251 0.000 2.407 283 V HA 0.493 4.614 4.120 0.001 0.000 0.291 283 V C 0.317 176.333 176.094 -0.130 0.000 1.018 283 V CA -0.088 62.055 62.300 -0.262 0.000 0.842 283 V CB 1.446 32.988 31.823 -0.469 0.000 0.996 283 V HN 1.114 nan 8.190 nan 0.000 0.426 284 T N 2.907 117.422 114.554 -0.066 0.000 2.922 284 T HA 0.841 5.192 4.350 0.001 0.000 0.285 284 T C -0.319 174.423 174.700 0.069 0.000 1.005 284 T CA -0.486 61.619 62.100 0.008 0.000 1.061 284 T CB 1.780 70.651 68.868 0.004 0.000 1.007 284 T HN 0.975 nan 8.240 nan 0.000 0.502 285 V N 0.399 120.363 119.914 0.083 0.000 3.232 285 V HA 0.607 4.728 4.120 0.001 0.000 0.303 285 V C -0.269 175.821 176.094 -0.007 0.000 1.311 285 V CA -1.059 61.295 62.300 0.090 0.000 1.061 285 V CB 1.275 33.203 31.823 0.175 0.000 1.085 285 V HN 0.873 nan 8.190 nan 0.000 0.447 286 L N -0.157 121.001 121.223 -0.107 0.000 2.777 286 L HA 0.391 4.732 4.340 0.001 0.000 0.172 286 L C 0.154 176.873 176.870 -0.252 0.000 1.179 286 L CA 0.437 55.023 54.840 -0.424 0.000 0.859 286 L CB 0.286 41.865 42.059 -0.800 0.000 1.269 286 L HN 0.993 nan 8.230 nan 0.000 0.511 287 D N 0.077 120.417 120.400 -0.101 0.000 2.228 287 D HA 0.420 5.060 4.640 0.001 0.000 0.247 287 D C -0.207 176.083 176.300 -0.016 0.000 0.995 287 D CA -0.227 53.795 54.000 0.036 0.000 0.903 287 D CB 1.770 42.677 40.800 0.178 0.000 1.205 287 D HN 0.151 nan 8.370 nan 0.000 0.459 288 T N -3.520 110.910 114.554 -0.207 0.000 2.693 288 T HA 0.276 4.627 4.350 0.001 0.000 0.278 288 T C 1.056 175.225 174.700 -0.884 0.000 0.994 288 T CA -0.686 61.234 62.100 -0.300 0.000 1.033 288 T CB 0.882 69.683 68.868 -0.111 0.000 1.342 288 T HN 0.622 nan 8.240 nan 0.000 0.538 289 H N -0.572 118.085 119.070 -0.688 0.000 2.547 289 H HA 0.268 4.825 4.556 0.001 0.000 0.266 289 H C -0.428 174.788 175.328 -0.186 0.000 0.988 289 H CA 0.030 55.767 56.048 -0.518 0.000 1.147 289 H CB -0.194 29.532 29.762 -0.059 0.000 1.365 289 H HN 0.448 nan 8.280 nan 0.000 0.589 290 D N 0.480 120.507 120.400 -0.622 0.000 2.595 290 D HA 0.363 5.003 4.640 0.001 0.000 0.268 290 D C 0.850 176.987 176.300 -0.270 0.000 1.181 290 D CA -0.347 53.393 54.000 -0.434 0.000 1.085 290 D CB 0.861 41.341 40.800 -0.533 0.000 1.186 290 D HN 0.311 nan 8.370 nan 0.000 0.621 291 G N -0.432 108.235 108.800 -0.221 0.000 2.580 291 G HA2 0.439 4.400 3.960 0.001 0.000 0.278 291 G HA3 0.439 4.400 3.960 0.001 0.000 0.278 291 G C 0.088 174.899 174.900 -0.148 0.000 1.212 291 G CA -0.548 44.468 45.100 -0.140 0.000 0.939 291 G HN 0.364 nan 8.290 nan 0.000 0.513 292 I N 1.343 121.874 120.570 -0.065 0.000 2.436 292 I HA 0.183 4.353 4.170 0.001 0.000 0.289 292 I C 1.310 177.385 176.117 -0.071 0.000 1.083 292 I CA -0.103 61.185 61.300 -0.021 0.000 1.372 292 I CB 0.524 38.554 38.000 0.050 0.000 1.408 292 I HN 0.423 nan 8.210 nan 0.000 0.516 293 G N 5.100 113.832 108.800 -0.114 0.000 2.361 293 G HA2 0.360 4.321 3.960 0.001 0.000 0.260 293 G HA3 0.360 4.321 3.960 0.001 0.000 0.260 293 G C 0.849 175.732 174.900 -0.028 0.000 1.261 293 G CA -0.410 44.609 45.100 -0.135 0.000 0.897 293 G HN 0.646 nan 8.290 nan 0.000 0.499 294 V N 1.462 121.366 119.914 -0.017 0.000 3.455 294 V HA 0.101 4.222 4.120 0.001 0.000 0.250 294 V C 2.213 178.305 176.094 -0.003 0.000 1.230 294 V CA 0.882 63.176 62.300 -0.010 0.000 1.105 294 V CB -0.442 31.369 31.823 -0.019 0.000 0.850 294 V HN 0.718 nan 8.190 nan 0.000 0.461 295 I N 0.241 120.822 120.570 0.018 0.000 2.916 295 I HA 0.024 4.195 4.170 0.001 0.000 0.267 295 I C 1.380 177.563 176.117 0.109 0.000 1.263 295 I CA 1.426 62.754 61.300 0.047 0.000 1.471 295 I CB -1.329 36.719 38.000 0.080 0.000 1.089 295 I HN 0.178 nan 8.210 nan 0.000 0.468 296 D N 1.590 122.048 120.400 0.096 0.000 2.350 296 D HA -0.032 4.608 4.640 0.001 0.000 0.216 296 D C 1.853 178.171 176.300 0.030 0.000 0.968 296 D CA 1.638 55.710 54.000 0.120 0.000 0.894 296 D CB -0.058 40.836 40.800 0.158 0.000 0.909 296 D HN 0.773 nan 8.370 nan 0.000 0.520 297 I N -4.925 115.644 120.570 -0.001 0.000 4.442 297 I HA 0.393 4.563 4.170 0.001 0.000 0.331 297 I C 1.040 177.166 176.117 0.014 0.000 1.364 297 I CA -0.473 60.779 61.300 -0.081 0.000 1.207 297 I CB 0.506 38.403 38.000 -0.173 0.000 1.298 297 I HN -0.159 nan 8.210 nan 0.000 0.463 298 G N 1.549 110.395 108.800 0.076 0.000 2.532 298 G HA2 0.471 4.431 3.960 0.001 0.000 0.291 298 G HA3 0.471 4.431 3.960 0.001 0.000 0.291 298 G C -0.089 174.955 174.900 0.240 0.000 1.349 298 G CA 0.118 45.274 45.100 0.093 0.000 1.038 298 G HN 0.416 nan 8.290 nan 0.000 0.518 299 S N -0.761 115.035 115.700 0.160 0.000 2.600 299 S HA 0.154 4.625 4.470 0.001 0.000 0.265 299 S C 0.070 174.695 174.600 0.041 0.000 1.325 299 S CA -0.478 57.813 58.200 0.153 0.000 1.002 299 S CB 1.254 64.478 63.200 0.040 0.000 0.921 299 S HN 0.582 nan 8.310 nan 0.000 0.554 300 D N 0.600 120.812 120.400 -0.315 0.000 2.425 300 D HA 0.026 4.666 4.640 0.001 0.000 0.247 300 D C 0.924 177.136 176.300 -0.147 0.000 1.147 300 D CA 0.255 54.006 54.000 -0.415 0.000 0.879 300 D CB 0.764 41.074 40.800 -0.817 0.000 1.179 300 D HN 0.673 nan 8.370 nan 0.000 0.456 301 Q N 2.324 122.103 119.800 -0.034 0.000 2.172 301 Q HA -0.105 4.236 4.340 0.001 0.000 0.200 301 Q C 1.539 177.562 176.000 0.040 0.000 0.964 301 Q CA 0.786 56.611 55.803 0.036 0.000 0.855 301 Q CB 0.241 29.074 28.738 0.158 0.000 0.918 301 Q HN 0.441 nan 8.270 nan 0.000 0.444 302 L N 0.161 121.398 121.223 0.023 0.000 2.418 302 L HA 0.056 4.397 4.340 0.001 0.000 0.218 302 L C -0.113 176.748 176.870 -0.015 0.000 1.125 302 L CA 0.953 55.812 54.840 0.033 0.000 0.835 302 L CB 0.407 42.498 42.059 0.053 0.000 0.953 302 L HN 0.035 nan 8.230 nan 0.000 0.454 303 D N -1.493 118.864 120.400 -0.071 0.000 2.318 303 D HA 0.133 4.774 4.640 0.001 0.000 0.233 303 D C 0.716 176.947 176.300 -0.115 0.000 1.348 303 D CA -0.228 53.724 54.000 -0.081 0.000 0.983 303 D CB 0.806 41.552 40.800 -0.089 0.000 1.416 303 D HN -0.262 nan 8.370 nan 0.000 0.558 304 R N 1.210 121.670 120.500 -0.067 0.000 2.328 304 R HA -0.021 4.320 4.340 0.001 0.000 0.207 304 R C 1.628 177.903 176.300 -0.042 0.000 1.056 304 R CA 0.760 56.827 56.100 -0.056 0.000 1.016 304 R CB -0.549 29.735 30.300 -0.028 0.000 0.872 304 R HN 0.489 nan 8.270 nan 0.000 0.471 305 S N -0.022 115.652 115.700 -0.042 0.000 2.453 305 S HA 0.019 4.489 4.470 0.001 0.000 0.231 305 S C 1.113 175.707 174.600 -0.009 0.000 1.005 305 S CA 0.198 58.389 58.200 -0.016 0.000 0.949 305 S CB -0.155 63.039 63.200 -0.010 0.000 0.774 305 S HN 0.171 nan 8.310 nan 0.000 0.510 306 L N 2.871 124.052 121.223 -0.069 0.000 2.334 306 L HA 0.355 4.696 4.340 0.001 0.000 0.286 306 L C 0.120 177.014 176.870 0.039 0.000 1.108 306 L CA -0.531 54.273 54.840 -0.059 0.000 0.875 306 L CB 0.290 42.150 42.059 -0.331 0.000 1.246 306 L HN 0.019 nan 8.230 nan 0.000 0.439 307 K N 1.978 122.492 120.400 0.189 0.000 2.219 307 K HA 0.343 4.664 4.320 0.001 0.000 0.258 307 K C 0.594 177.482 176.600 0.481 0.000 1.008 307 K CA -0.121 56.314 56.287 0.247 0.000 0.928 307 K CB 1.437 34.034 32.500 0.161 0.000 0.983 307 K HN 0.597 nan 8.250 nan 0.000 0.484 308 G N 0.525 109.555 108.800 0.383 0.000 2.531 308 G HA2 0.212 4.172 3.960 0.001 0.000 0.253 308 G HA3 0.212 4.172 3.960 0.001 0.000 0.253 308 G C 0.994 175.975 174.900 0.135 0.000 1.439 308 G CA -0.537 44.798 45.100 0.392 0.000 1.056 308 G HN 0.460 nan 8.290 nan 0.000 0.555 309 L N -0.668 120.473 121.223 -0.136 0.000 2.395 309 L HA 0.163 4.504 4.340 0.001 0.000 0.218 309 L C 0.627 177.447 176.870 -0.083 0.000 1.130 309 L CA 0.275 54.991 54.840 -0.206 0.000 0.826 309 L CB -0.387 41.453 42.059 -0.364 0.000 0.941 309 L HN 0.301 nan 8.230 nan 0.000 0.451 310 V N -5.775 114.090 119.914 -0.082 0.000 3.114 310 V HA 0.587 4.708 4.120 0.001 0.000 0.308 310 V C -2.811 173.254 176.094 -0.050 0.000 1.168 310 V CA -2.461 59.780 62.300 -0.098 0.000 1.015 310 V CB 1.436 33.118 31.823 -0.235 0.000 1.050 310 V HN -0.221 nan 8.190 nan 0.000 0.433 311 P HA 0.220 nan 4.420 nan 0.000 0.269 311 P C 0.058 177.348 177.300 -0.018 0.000 1.209 311 P CA 0.114 63.210 63.100 -0.007 0.000 0.776 311 P CB 0.452 32.153 31.700 0.001 0.000 0.876 312 D N 1.528 121.925 120.400 -0.005 0.000 2.221 312 D HA -0.157 4.483 4.640 0.001 0.000 0.204 312 D C 1.362 177.651 176.300 -0.019 0.000 0.982 312 D CA 1.374 55.363 54.000 -0.018 0.000 0.857 312 D CB -0.060 40.730 40.800 -0.018 0.000 0.934 312 D HN 0.442 nan 8.370 nan 0.000 0.475 313 E N 0.728 120.925 120.200 -0.005 0.000 2.110 313 E HA -0.124 4.226 4.350 0.001 0.000 0.193 313 E C 1.610 178.216 176.600 0.010 0.000 0.988 313 E CA 0.815 57.219 56.400 0.007 0.000 0.804 313 E CB -0.134 29.577 29.700 0.019 0.000 0.745 313 E HN 0.303 nan 8.360 nan 0.000 0.458 314 D N -0.421 119.977 120.400 -0.002 0.000 2.183 314 D HA -0.066 4.574 4.640 0.001 0.000 0.203 314 D C 1.881 178.162 176.300 -0.031 0.000 0.969 314 D CA 0.592 54.590 54.000 -0.003 0.000 0.842 314 D CB 0.147 40.893 40.800 -0.090 0.000 0.957 314 D HN 0.055 nan 8.370 nan 0.000 0.484 315 V N 1.797 121.678 119.914 -0.054 0.000 2.358 315 V HA -0.187 3.933 4.120 0.001 0.000 0.246 315 V C 1.923 177.995 176.094 -0.037 0.000 1.047 315 V CA 1.539 63.806 62.300 -0.056 0.000 1.035 315 V CB -0.340 31.444 31.823 -0.064 0.000 0.658 315 V HN 0.051 nan 8.190 nan 0.000 0.452 316 D N 0.412 120.796 120.400 -0.025 0.000 2.144 316 D HA -0.142 4.499 4.640 0.001 0.000 0.199 316 D C 2.003 178.300 176.300 -0.006 0.000 0.984 316 D CA 1.149 55.142 54.000 -0.012 0.000 0.834 316 D CB -0.384 40.417 40.800 0.000 0.000 0.955 316 D HN 0.393 nan 8.370 nan 0.000 0.465 317 N N 0.959 119.663 118.700 0.006 0.000 2.188 317 N HA -0.099 4.642 4.740 0.001 0.000 0.184 317 N C 1.913 177.421 175.510 -0.003 0.000 1.018 317 N CA 0.118 53.176 53.050 0.013 0.000 0.858 317 N CB -0.440 38.071 38.487 0.039 0.000 0.989 317 N HN 0.193 nan 8.380 nan 0.000 0.426 318 L N 1.298 122.524 121.223 0.005 0.000 2.012 318 L HA -0.113 4.227 4.340 0.001 0.000 0.210 318 L C 1.873 178.689 176.870 -0.089 0.000 1.073 318 L CA 1.479 56.312 54.840 -0.012 0.000 0.748 318 L CB -0.809 41.255 42.059 0.009 0.000 0.891 318 L HN -0.079 nan 8.230 nan 0.000 0.431 319 V N 0.981 120.827 119.914 -0.112 0.000 2.287 319 V HA -0.294 3.826 4.120 0.001 0.000 0.248 319 V C 2.431 178.307 176.094 -0.363 0.000 1.053 319 V CA 1.964 64.122 62.300 -0.238 0.000 1.027 319 V CB -0.853 30.880 31.823 -0.150 0.000 0.646 319 V HN 0.516 nan 8.190 nan 0.000 0.447 320 N N -0.140 118.472 118.700 -0.146 0.000 2.244 320 N HA -0.123 4.617 4.740 0.001 0.000 0.183 320 N C 1.879 177.357 175.510 -0.052 0.000 1.016 320 N CA 1.762 54.786 53.050 -0.044 0.000 0.866 320 N CB -0.420 38.082 38.487 0.026 0.000 0.980 320 N HN 0.459 nan 8.380 nan 0.000 0.430 321 T N 1.649 116.156 114.554 -0.079 0.000 2.821 321 T HA 0.061 4.411 4.350 0.001 0.000 0.267 321 T C 2.099 176.738 174.700 -0.101 0.000 1.046 321 T CA 0.512 62.570 62.100 -0.071 0.000 1.139 321 T CB -0.018 68.811 68.868 -0.065 0.000 0.871 321 T HN 0.180 nan 8.240 nan 0.000 0.454 322 I N 0.399 120.872 120.570 -0.161 0.000 2.252 322 I HA -0.184 3.987 4.170 0.001 0.000 0.245 322 I C 2.523 178.589 176.117 -0.084 0.000 1.102 322 I CA 1.159 62.359 61.300 -0.165 0.000 1.385 322 I CB -0.402 37.468 38.000 -0.217 0.000 1.064 322 I HN 0.266 nan 8.210 nan 0.000 0.414 323 H N 0.791 119.828 119.070 -0.056 0.000 2.387 323 H HA -0.061 4.496 4.556 0.001 0.000 0.299 323 H C 2.326 177.614 175.328 -0.067 0.000 1.090 323 H CA 1.424 57.443 56.048 -0.049 0.000 1.332 323 H CB -0.451 29.297 29.762 -0.023 0.000 1.386 323 H HN 0.358 nan 8.280 nan 0.000 0.516 324 A N 1.294 124.143 122.820 0.047 0.000 1.873 324 A HA -0.158 4.163 4.320 0.001 0.000 0.215 324 A C 2.256 179.752 177.584 -0.145 0.000 1.186 324 A CA 1.439 53.467 52.037 -0.015 0.000 0.616 324 A CB -0.263 18.732 19.000 -0.009 0.000 0.823 324 A HN 0.335 nan 8.150 nan 0.000 0.442 325 N N 0.083 118.681 118.700 -0.171 0.000 2.223 325 N HA -0.106 4.635 4.740 0.001 0.000 0.185 325 N C 1.587 176.824 175.510 -0.454 0.000 1.016 325 N CA 1.905 54.788 53.050 -0.278 0.000 0.863 325 N CB -0.559 37.815 38.487 -0.189 0.000 0.983 325 N HN 0.682 nan 8.380 nan 0.000 0.429 326 T N -3.466 110.909 114.554 -0.299 0.000 3.122 326 T HA 0.101 4.451 4.350 0.001 0.000 0.250 326 T C -0.143 174.464 174.700 -0.156 0.000 1.067 326 T CA -0.310 61.653 62.100 -0.228 0.000 0.966 326 T CB -0.612 68.218 68.868 -0.063 0.000 1.002 326 T HN 0.344 nan 8.240 nan 0.000 0.542 327 H N 0.734 119.807 119.070 0.005 0.000 2.741 327 H HA -0.131 4.426 4.556 0.001 0.000 0.305 327 H C 1.481 176.807 175.328 -0.003 0.000 1.169 327 H CA 0.734 56.782 56.048 0.000 0.000 1.144 327 H CB -1.784 27.973 29.762 -0.008 0.000 1.397 327 H HN 0.778 nan 8.280 nan 0.000 0.409 328 G N -0.953 107.883 108.800 0.060 0.000 2.199 328 G HA2 -0.365 3.596 3.960 0.001 0.000 0.254 328 G HA3 -0.365 3.596 3.960 0.001 0.000 0.254 328 G C 0.987 175.883 174.900 -0.005 0.000 0.982 328 G CA 0.570 45.675 45.100 0.008 0.000 0.632 328 G HN 0.598 nan 8.290 nan 0.000 0.529 329 E N 0.893 121.110 120.200 0.027 0.000 2.051 329 E HA -0.096 4.255 4.350 0.001 0.000 0.192 329 E C 2.762 179.374 176.600 0.020 0.000 0.991 329 E CA 1.777 58.191 56.400 0.024 0.000 0.799 329 E CB -0.243 29.478 29.700 0.035 0.000 0.748 329 E HN 0.757 nan 8.360 nan 0.000 0.449 330 S N 0.897 116.631 115.700 0.056 0.000 2.423 330 S HA -0.211 4.260 4.470 0.001 0.000 0.231 330 S C 2.078 176.705 174.600 0.045 0.000 1.014 330 S CA 1.170 59.437 58.200 0.111 0.000 0.965 330 S CB -0.067 63.264 63.200 0.218 0.000 0.785 330 S HN 0.078 nan 8.310 nan 0.000 0.495 331 Q N 2.276 121.972 119.800 -0.175 0.000 2.119 331 Q HA 0.216 4.557 4.340 0.001 0.000 0.201 331 Q C 2.017 177.906 176.000 -0.186 0.000 0.972 331 Q CA 1.655 57.182 55.803 -0.459 0.000 0.847 331 Q CB -0.911 27.507 28.738 -0.534 0.000 0.903 331 Q HN 0.636 nan 8.270 nan 0.000 0.433 332 A N -0.455 122.306 122.820 -0.099 0.000 2.066 332 A HA 0.251 4.572 4.320 0.001 0.000 0.218 332 A C 1.999 179.563 177.584 -0.033 0.000 1.157 332 A CA 1.302 53.306 52.037 -0.056 0.000 0.670 332 A CB -0.453 18.528 19.000 -0.031 0.000 0.804 332 A HN 0.464 nan 8.150 nan 0.000 0.453 333 A N -1.518 121.291 122.820 -0.018 0.000 2.229 333 A HA 0.349 4.669 4.320 0.001 0.000 0.211 333 A C 1.048 178.631 177.584 -0.002 0.000 1.193 333 A CA 0.578 52.614 52.037 -0.001 0.000 0.879 333 A CB -0.079 18.931 19.000 0.018 0.000 0.911 333 A HN 0.271 nan 8.150 nan 0.000 0.492 334 T N 0.319 114.875 114.554 0.003 0.000 2.909 334 T HA 0.501 4.852 4.350 0.001 0.000 0.289 334 T C 1.216 175.902 174.700 -0.024 0.000 1.005 334 T CA 0.466 62.575 62.100 0.014 0.000 1.084 334 T CB 1.120 70.051 68.868 0.106 0.000 0.975 334 T HN 1.216 nan 8.240 nan 0.000 0.509 335 G N 2.165 110.935 108.800 -0.050 0.000 2.634 335 G HA2 -0.257 3.703 3.960 0.001 0.000 0.309 335 G HA3 -0.257 3.703 3.960 0.001 0.000 0.309 335 G C 1.295 176.141 174.900 -0.090 0.000 1.265 335 G CA 0.492 45.531 45.100 -0.101 0.000 0.998 335 G HN 1.197 nan 8.290 nan 0.000 0.551 336 A N -0.078 122.684 122.820 -0.097 0.000 2.216 336 A HA 0.423 4.744 4.320 0.001 0.000 0.214 336 A C 2.745 180.292 177.584 -0.061 0.000 1.160 336 A CA 2.232 54.221 52.037 -0.080 0.000 0.725 336 A CB -0.715 18.237 19.000 -0.080 0.000 0.784 336 A HN 2.151 nan 8.150 nan 0.000 0.472 337 A N -1.258 121.527 122.820 -0.058 0.000 2.121 337 A HA 0.499 4.820 4.320 0.001 0.000 0.218 337 A C 1.173 178.733 177.584 -0.040 0.000 1.154 337 A CA 1.488 53.494 52.037 -0.051 0.000 0.679 337 A CB -0.399 18.566 19.000 -0.059 0.000 0.795 337 A HN 1.398 nan 8.150 nan 0.000 0.458 338 A N -1.973 120.824 122.820 -0.038 0.000 2.515 338 A HA 0.614 4.935 4.320 0.001 0.000 0.299 338 A C -0.358 177.208 177.584 -0.031 0.000 1.179 338 A CA -0.217 51.803 52.037 -0.028 0.000 0.656 338 A CB -0.128 18.862 19.000 -0.017 0.000 1.306 338 A HN 0.226 nan 8.150 nan 0.000 0.459 339 S N 0.929 116.617 115.700 -0.021 0.000 2.465 339 S HA 0.425 4.896 4.470 0.001 0.000 0.280 339 S C -0.182 174.405 174.600 -0.022 0.000 1.232 339 S CA 0.095 58.283 58.200 -0.021 0.000 1.066 339 S CB -0.661 62.534 63.200 -0.009 0.000 0.929 339 S HN 0.537 nan 8.310 nan 0.000 0.494 340 N N 1.569 120.247 118.700 -0.036 0.000 2.416 340 N HA 0.412 5.152 4.740 0.001 0.000 0.276 340 N C -0.083 175.401 175.510 -0.044 0.000 1.261 340 N CA -0.755 52.270 53.050 -0.041 0.000 0.790 340 N CB 1.407 39.858 38.487 -0.059 0.000 1.554 340 N HN 0.289 nan 8.380 nan 0.000 0.481 341 L N -0.677 120.526 121.223 -0.033 0.000 2.616 341 L HA 0.327 4.668 4.340 0.001 0.000 0.229 341 L C -0.192 176.661 176.870 -0.029 0.000 1.110 341 L CA 0.570 55.408 54.840 -0.004 0.000 0.884 341 L CB 0.244 42.351 42.059 0.079 0.000 1.115 341 L HN 0.552 nan 8.230 nan 0.000 0.481 342 D N 0.042 120.403 120.400 -0.065 0.000 2.757 342 D HA 0.131 4.772 4.640 0.001 0.000 0.249 342 D C 0.236 176.453 176.300 -0.138 0.000 1.168 342 D CA -0.421 53.527 54.000 -0.087 0.000 0.870 342 D CB 2.974 43.725 40.800 -0.081 0.000 1.411 342 D HN -0.135 nan 8.370 nan 0.000 0.525 343 L N 4.701 125.788 121.223 -0.227 0.000 2.156 343 L HA -0.022 4.319 4.340 0.001 0.000 0.208 343 L C 0.861 177.454 176.870 -0.463 0.000 1.095 343 L CA 1.677 56.274 54.840 -0.405 0.000 0.770 343 L CB -0.377 41.298 42.059 -0.639 0.000 0.914 343 L HN 0.466 nan 8.230 nan 0.000 0.439 344 Y N -1.091 119.185 120.300 -0.039 0.000 2.481 344 Y HA 0.267 4.818 4.550 0.001 0.000 0.258 344 Y C 1.042 176.910 175.900 -0.053 0.000 1.103 344 Y CA -0.633 57.449 58.100 -0.031 0.000 1.287 344 Y CB -0.337 38.112 38.460 -0.019 0.000 1.108 344 Y HN 0.144 nan 8.280 nan 0.000 0.529 345 Q N 1.074 120.890 119.800 0.027 0.000 2.330 345 Q HA 0.148 4.488 4.340 0.001 0.000 0.279 345 Q C -0.483 175.505 176.000 -0.021 0.000 1.024 345 Q CA -0.028 55.745 55.803 -0.051 0.000 0.900 345 Q CB 1.258 29.902 28.738 -0.158 0.000 1.221 345 Q HN -0.038 nan 8.270 nan 0.000 0.396 346 V N 4.252 124.155 119.914 -0.018 0.000 2.385 346 V HA 0.068 4.189 4.120 0.001 0.000 0.269 346 V C 0.026 176.120 176.094 0.000 0.000 1.043 346 V CA -0.698 61.605 62.300 0.005 0.000 0.906 346 V CB 0.787 32.589 31.823 -0.035 0.000 0.995 346 V HN 0.666 nan 8.190 nan 0.000 0.467 347 N N 3.895 122.608 118.700 0.021 0.000 2.401 347 N HA 0.413 5.153 4.740 0.001 0.000 0.255 347 N C -0.232 175.300 175.510 0.036 0.000 1.110 347 N CA 0.189 53.249 53.050 0.017 0.000 0.949 347 N CB 1.422 39.918 38.487 0.014 0.000 1.110 347 N HN 0.759 nan 8.380 nan 0.000 0.490 348 S N 0.449 116.170 115.700 0.035 0.000 2.580 348 S HA 0.240 4.711 4.470 0.001 0.000 0.281 348 S C -0.607 174.032 174.600 0.066 0.000 1.129 348 S CA -0.865 57.360 58.200 0.041 0.000 0.862 348 S CB 0.387 63.595 63.200 0.014 0.000 1.090 348 S HN 0.509 nan 8.310 nan 0.000 0.451 349 T N 2.096 116.701 114.554 0.084 0.000 2.898 349 T HA 0.292 4.643 4.350 0.001 0.000 0.301 349 T C 0.938 175.726 174.700 0.147 0.000 1.049 349 T CA -0.095 62.090 62.100 0.141 0.000 1.095 349 T CB 0.368 69.319 68.868 0.138 0.000 0.976 349 T HN 0.684 nan 8.240 nan 0.000 0.539 350 Y N 1.269 121.627 120.300 0.096 0.000 2.242 350 Y HA -0.087 4.464 4.550 0.001 0.000 0.291 350 Y C 2.217 178.165 175.900 0.081 0.000 1.137 350 Y CA 1.481 59.649 58.100 0.113 0.000 1.181 350 Y CB -0.476 38.109 38.460 0.208 0.000 0.989 350 Y HN 0.874 nan 8.280 nan 0.000 0.527 351 Y N -0.185 120.074 120.300 -0.068 0.000 2.181 351 Y HA -0.231 4.319 4.550 0.001 0.000 0.288 351 Y C 2.579 178.385 175.900 -0.155 0.000 1.146 351 Y CA 1.923 59.851 58.100 -0.285 0.000 1.164 351 Y CB -0.673 37.521 38.460 -0.443 0.000 0.982 351 Y HN 0.023 nan 8.280 nan 0.000 0.515 352 S N -0.065 115.592 115.700 -0.072 0.000 2.402 352 S HA -0.108 4.363 4.470 0.001 0.000 0.229 352 S C 2.203 176.696 174.600 -0.178 0.000 1.021 352 S CA 0.798 58.912 58.200 -0.144 0.000 0.974 352 S CB -0.629 62.547 63.200 -0.040 0.000 0.800 352 S HN 0.603 nan 8.310 nan 0.000 0.484 353 A N 0.865 123.582 122.820 -0.171 0.000 2.070 353 A HA 0.079 4.399 4.320 0.001 0.000 0.220 353 A C 1.717 179.160 177.584 -0.236 0.000 1.159 353 A CA 0.959 52.868 52.037 -0.214 0.000 0.656 353 A CB -0.415 18.412 19.000 -0.290 0.000 0.800 353 A HN 0.485 nan 8.150 nan 0.000 0.453 354 L N -0.839 120.240 121.223 -0.240 0.000 2.653 354 L HA 0.303 4.644 4.340 0.001 0.000 0.231 354 L C 1.251 178.023 176.870 -0.162 0.000 1.153 354 L CA 0.145 54.896 54.840 -0.148 0.000 0.933 354 L CB -0.663 41.369 42.059 -0.044 0.000 1.175 354 L HN 0.591 nan 8.230 nan 0.000 0.473 358 D N 1.295 121.777 120.400 0.138 0.000 2.104 358 D HA -0.152 4.489 4.640 0.001 0.000 0.194 358 D C 1.509 177.951 176.300 0.236 0.000 0.994 358 D CA 1.450 55.624 54.000 0.290 0.000 0.830 358 D CB 0.411 41.342 40.800 0.218 0.000 0.959 358 D HN 0.575 nan 8.370 nan 0.000 0.452 359 Q N -0.040 119.832 119.800 0.120 0.000 2.124 359 Q HA -0.128 4.212 4.340 0.001 0.000 0.202 359 Q C 2.127 178.284 176.000 0.262 0.000 0.977 359 Q CA 1.113 57.001 55.803 0.141 0.000 0.850 359 Q CB -0.559 28.229 28.738 0.083 0.000 0.901 359 Q HN 0.671 nan 8.270 nan 0.000 0.429 360 H N -1.476 117.696 119.070 0.170 0.000 2.357 360 H HA -0.135 4.422 4.556 0.001 0.000 0.301 360 H C 1.794 177.269 175.328 0.246 0.000 1.082 360 H CA 0.957 57.121 56.048 0.194 0.000 1.342 360 H CB 0.074 29.924 29.762 0.147 0.000 1.389 360 H HN 0.182 nan 8.280 nan 0.000 0.511 361 Y N 1.162 121.635 120.300 0.289 0.000 2.163 361 Y HA -0.193 4.358 4.550 0.001 0.000 0.288 361 Y C 2.371 178.366 175.900 0.158 0.000 1.136 361 Y CA 0.909 59.172 58.100 0.272 0.000 1.147 361 Y CB -0.388 38.295 38.460 0.373 0.000 0.987 361 Y HN 0.095 nan 8.280 nan 0.000 0.509 362 I N 0.460 121.043 120.570 0.023 0.000 2.394 362 I HA -0.148 4.022 4.170 0.001 0.000 0.251 362 I C 2.332 178.366 176.117 -0.139 0.000 1.136 362 I CA 1.537 62.753 61.300 -0.141 0.000 1.425 362 I CB -0.863 37.134 38.000 -0.006 0.000 1.079 362 I HN 0.251 nan 8.210 nan 0.000 0.425 363 A N 0.287 123.108 122.820 0.001 0.000 1.898 363 A HA -0.056 4.265 4.320 0.001 0.000 0.216 363 A C 2.503 179.981 177.584 -0.177 0.000 1.181 363 A CA 1.604 53.645 52.037 0.005 0.000 0.620 363 A CB -1.212 17.928 19.000 0.233 0.000 0.819 363 A HN 0.482 nan 8.150 nan 0.000 0.442 364 A N -0.447 122.299 122.820 -0.123 0.000 1.902 364 A HA -0.157 4.164 4.320 0.001 0.000 0.217 364 A C 2.219 179.592 177.584 -0.350 0.000 1.181 364 A CA 1.494 53.424 52.037 -0.179 0.000 0.623 364 A CB -0.440 18.616 19.000 0.093 0.000 0.818 364 A HN 0.370 nan 8.150 nan 0.000 0.443 365 R N -0.353 119.851 120.500 -0.494 0.000 2.096 365 R HA -0.047 4.294 4.340 0.001 0.000 0.235 365 R C 2.428 178.211 176.300 -0.862 0.000 1.127 365 R CA 1.386 57.011 56.100 -0.791 0.000 0.968 365 R CB -1.207 28.553 30.300 -0.900 0.000 0.861 365 R HN 0.537 nan 8.270 nan 0.000 0.440 366 A N 0.583 123.114 122.820 -0.482 0.000 1.877 366 A HA -0.118 4.203 4.320 0.001 0.000 0.216 366 A C 2.479 180.020 177.584 -0.072 0.000 1.186 366 A CA 1.669 53.592 52.037 -0.190 0.000 0.620 366 A CB -0.645 18.304 19.000 -0.085 0.000 0.822 366 A HN 0.101 nan 8.150 nan 0.000 0.443 367 V N 0.189 119.944 119.914 -0.265 0.000 2.343 367 V HA -0.322 3.799 4.120 0.001 0.000 0.247 367 V C 2.734 178.680 176.094 -0.246 0.000 1.051 367 V CA 2.301 64.395 62.300 -0.343 0.000 1.036 367 V CB -0.847 30.655 31.823 -0.534 0.000 0.654 367 V HN 0.759 nan 8.190 nan 0.000 0.451 368 Q N -0.468 119.194 119.800 -0.231 0.000 2.045 368 Q HA -0.238 4.102 4.340 0.001 0.000 0.206 368 Q C 2.202 178.248 176.000 0.076 0.000 0.991 368 Q CA 2.106 57.841 55.803 -0.112 0.000 0.851 368 Q CB -0.172 28.470 28.738 -0.161 0.000 0.911 368 Q HN 0.559 nan 8.270 nan 0.000 0.418 369 F N -0.619 119.262 119.950 -0.115 0.000 2.333 369 F HA -0.098 4.429 4.527 0.001 0.000 0.300 369 F C 1.768 177.427 175.800 -0.235 0.000 1.083 369 F CA 0.516 58.382 58.000 -0.223 0.000 1.395 369 F CB -0.665 38.184 39.000 -0.252 0.000 1.056 369 F HN 0.098 nan 8.300 nan 0.000 0.529 370 F N -0.443 119.565 119.950 0.098 0.000 2.743 370 F HA 0.145 4.672 4.527 0.001 0.000 0.297 370 F C 1.098 177.077 175.800 0.298 0.000 1.131 370 F CA 0.053 58.264 58.000 0.353 0.000 1.426 370 F CB -0.145 39.056 39.000 0.335 0.000 1.116 370 F HN -0.298 nan 8.300 nan 0.000 0.583 371 L N 1.145 122.389 121.223 0.036 0.000 2.350 371 L HA 0.276 4.616 4.340 0.001 0.000 0.275 371 L C -2.020 174.790 176.870 -0.099 0.000 1.099 371 L CA -2.052 52.678 54.840 -0.184 0.000 0.808 371 L CB 0.513 42.444 42.059 -0.213 0.000 1.149 371 L HN -0.274 nan 8.230 nan 0.000 0.442 372 P HA 0.142 nan 4.420 nan 0.000 0.264 372 P C -0.171 177.070 177.300 -0.098 0.000 1.183 372 P CA 0.394 63.468 63.100 -0.044 0.000 0.763 372 P CB 0.554 32.137 31.700 -0.194 0.000 0.807 373 G N 0.614 109.356 108.800 -0.097 0.000 2.334 373 G HA2 0.065 4.026 3.960 0.001 0.000 0.566 373 G HA3 0.065 4.026 3.960 0.001 0.000 0.566 373 G C -1.461 173.324 174.900 -0.192 0.000 1.413 373 G CA -0.962 44.052 45.100 -0.143 0.000 0.993 373 G HN 0.360 nan 8.290 nan 0.000 0.642 374 V N 3.161 122.948 119.914 -0.211 0.000 2.432 374 V HA 0.512 4.632 4.120 0.001 0.000 0.271 374 V C -1.422 174.550 176.094 -0.203 0.000 1.046 374 V CA -0.821 61.334 62.300 -0.242 0.000 0.945 374 V CB 1.429 33.089 31.823 -0.271 0.000 0.992 374 V HN 0.665 nan 8.190 nan 0.000 0.471 375 P HA 0.350 nan 4.420 nan 0.000 0.284 375 P C -1.167 176.092 177.300 -0.069 0.000 1.253 375 P CA -0.602 62.422 63.100 -0.126 0.000 0.800 375 P CB 1.202 32.772 31.700 -0.217 0.000 0.961 376 Q N 0.870 120.696 119.800 0.044 0.000 2.356 376 Q HA 0.545 4.886 4.340 0.001 0.000 0.270 376 Q C -1.093 174.990 176.000 0.138 0.000 1.058 376 Q CA -1.102 54.749 55.803 0.080 0.000 0.802 376 Q CB 2.707 31.519 28.738 0.123 0.000 1.303 376 Q HN 0.210 nan 8.270 nan 0.000 0.444 377 V N 2.605 122.572 119.914 0.088 0.000 2.409 377 V HA 0.216 4.337 4.120 0.001 0.000 0.291 377 V C -0.922 175.180 176.094 0.014 0.000 1.020 377 V CA -0.859 61.496 62.300 0.092 0.000 0.848 377 V CB 0.947 32.860 31.823 0.152 0.000 0.990 377 V HN 0.664 nan 8.190 nan 0.000 0.430 378 Y N 5.099 125.386 120.300 -0.022 0.000 2.411 378 Y HA 0.161 4.712 4.550 0.001 0.000 0.333 378 Y C 1.295 177.147 175.900 -0.079 0.000 1.186 378 Y CA -0.771 57.320 58.100 -0.014 0.000 1.381 378 Y CB 0.609 39.089 38.460 0.033 0.000 1.273 378 Y HN 0.779 nan 8.280 nan 0.000 0.546 379 Y N 2.707 122.600 120.300 -0.679 0.000 2.193 379 Y HA -0.191 4.360 4.550 0.001 0.000 0.285 379 Y C 1.521 177.124 175.900 -0.495 0.000 1.166 379 Y CA 1.797 59.530 58.100 -0.612 0.000 1.181 379 Y CB -1.196 36.934 38.460 -0.550 0.000 0.976 379 Y HN 0.317 nan 8.280 nan 0.000 0.520 380 V N 1.387 120.493 119.914 -1.346 0.000 2.343 380 V HA -0.218 3.903 4.120 0.001 0.000 0.247 380 V C 2.709 178.659 176.094 -0.240 0.000 1.051 380 V CA 1.996 63.904 62.300 -0.652 0.000 1.036 380 V CB -1.359 30.233 31.823 -0.385 0.000 0.654 380 V HN 0.710 nan 8.190 nan 0.000 0.451 381 G N -0.592 108.158 108.800 -0.083 0.000 2.422 381 G HA2 -0.118 3.842 3.960 0.001 0.000 0.218 381 G HA3 -0.118 3.842 3.960 0.001 0.000 0.218 381 G C 1.711 176.681 174.900 0.116 0.000 1.140 381 G CA 0.827 45.994 45.100 0.111 0.000 0.775 381 G HN 0.594 nan 8.290 nan 0.000 0.545 382 A N 0.283 123.093 122.820 -0.018 0.000 2.019 382 A HA 0.185 4.506 4.320 0.001 0.000 0.219 382 A C 1.983 179.598 177.584 0.050 0.000 1.164 382 A CA 0.812 52.872 52.037 0.037 0.000 0.644 382 A CB -0.188 18.700 19.000 -0.186 0.000 0.805 382 A HN 0.364 nan 8.150 nan 0.000 0.449 383 L N -1.352 119.807 121.223 -0.108 0.000 2.818 383 L HA 0.376 4.717 4.340 0.001 0.000 0.243 383 L C 1.060 177.824 176.870 -0.176 0.000 1.185 383 L CA 0.122 54.876 54.840 -0.143 0.000 0.988 383 L CB -0.016 41.792 42.059 -0.418 0.000 1.292 383 L HN 0.398 nan 8.230 nan 0.000 0.519 384 A N 0.829 123.519 122.820 -0.216 0.000 2.511 384 A HA -0.146 4.175 4.320 0.001 0.000 0.297 384 A C 0.941 178.187 177.584 -0.564 0.000 1.476 384 A CA 0.598 52.258 52.037 -0.627 0.000 0.757 384 A CB -2.005 16.493 19.000 -0.838 0.000 1.072 384 A HN 0.525 nan 8.150 nan 0.000 0.413 385 G N -0.256 108.428 108.800 -0.192 0.000 2.444 385 G HA2 0.484 4.445 3.960 0.001 0.000 0.268 385 G HA3 0.484 4.445 3.960 0.001 0.000 0.268 385 G C 0.053 175.010 174.900 0.096 0.000 1.203 385 G CA -0.375 44.737 45.100 0.020 0.000 0.835 385 G HN 0.671 nan 8.290 nan 0.000 0.543 386 K N 0.726 121.184 120.400 0.097 0.000 2.106 386 K HA 0.193 4.514 4.320 0.001 0.000 0.246 386 K C 0.034 176.656 176.600 0.036 0.000 0.987 386 K CA -0.825 55.527 56.287 0.107 0.000 0.904 386 K CB 0.753 33.306 32.500 0.087 0.000 1.071 386 K HN 0.385 nan 8.250 nan 0.000 0.453 387 N N 2.202 120.927 118.700 0.041 0.000 2.357 387 N HA -0.098 4.643 4.740 0.001 0.000 0.257 387 N C -0.666 174.856 175.510 0.020 0.000 1.250 387 N CA 0.601 53.674 53.050 0.038 0.000 0.862 387 N CB 0.298 38.808 38.487 0.037 0.000 1.066 387 N HN 0.482 nan 8.380 nan 0.000 0.468 388 D N 3.396 123.821 120.400 0.042 0.000 2.500 388 D HA 0.112 4.753 4.640 0.001 0.000 0.219 388 D C 0.868 177.209 176.300 0.068 0.000 1.137 388 D CA -0.401 53.634 54.000 0.058 0.000 0.946 388 D CB 0.360 41.248 40.800 0.147 0.000 1.022 388 D HN 0.240 nan 8.370 nan 0.000 0.518 389 M N 1.537 121.165 119.600 0.047 0.000 2.296 389 M HA -0.082 4.399 4.480 0.001 0.000 0.265 389 M C 1.687 178.014 176.300 0.044 0.000 1.064 389 M CA 0.854 56.179 55.300 0.042 0.000 1.109 389 M CB -0.707 31.911 32.600 0.031 0.000 1.396 389 M HN 0.308 nan 8.290 nan 0.000 0.430 390 E N 1.020 121.251 120.200 0.052 0.000 2.072 390 E HA -0.141 4.209 4.350 0.001 0.000 0.191 390 E C 1.910 178.546 176.600 0.059 0.000 0.985 390 E CA 1.027 57.456 56.400 0.049 0.000 0.801 390 E CB -0.436 29.295 29.700 0.052 0.000 0.750 390 E HN 0.305 nan 8.360 nan 0.000 0.452 391 L N 0.103 121.379 121.223 0.089 0.000 2.056 391 L HA -0.025 4.315 4.340 0.001 0.000 0.207 391 L C 2.280 179.197 176.870 0.079 0.000 1.078 391 L CA 1.477 56.379 54.840 0.103 0.000 0.749 391 L CB -0.820 41.336 42.059 0.162 0.000 0.901 391 L HN 0.366 nan 8.230 nan 0.000 0.433 392 L N -0.265 121.000 121.223 0.070 0.000 2.046 392 L HA -0.210 4.131 4.340 0.001 0.000 0.208 392 L C 2.728 179.619 176.870 0.035 0.000 1.077 392 L CA 1.915 56.786 54.840 0.051 0.000 0.747 392 L CB -0.728 41.358 42.059 0.044 0.000 0.896 392 L HN 0.344 nan 8.230 nan 0.000 0.432 393 R N -0.214 120.305 120.500 0.031 0.000 2.081 393 R HA -0.233 4.108 4.340 0.001 0.000 0.235 393 R C 2.463 178.774 176.300 0.018 0.000 1.131 393 R CA 1.974 58.086 56.100 0.020 0.000 0.960 393 R CB -0.299 30.012 30.300 0.017 0.000 0.856 393 R HN 0.456 nan 8.270 nan 0.000 0.436 394 K N -0.221 120.192 120.400 0.023 0.000 2.057 394 K HA -0.111 4.210 4.320 0.001 0.000 0.206 394 K C 1.765 178.376 176.600 0.019 0.000 1.050 394 K CA 1.955 58.252 56.287 0.017 0.000 0.935 394 K CB -0.012 32.497 32.500 0.016 0.000 0.715 394 K HN 0.390 nan 8.250 nan 0.000 0.439 395 T N -3.018 111.554 114.554 0.030 0.000 3.015 395 T HA 0.035 4.386 4.350 0.001 0.000 0.250 395 T C 0.756 175.470 174.700 0.023 0.000 1.057 395 T CA 0.588 62.706 62.100 0.030 0.000 1.066 395 T CB -0.095 68.801 68.868 0.048 0.000 0.959 395 T HN 0.426 nan 8.240 nan 0.000 0.488 396 N N 1.107 119.820 118.700 0.022 0.000 2.753 396 N HA -0.199 4.541 4.740 0.001 0.000 0.251 396 N C -0.670 174.848 175.510 0.014 0.000 1.097 396 N CA 0.865 53.923 53.050 0.013 0.000 0.786 396 N CB -2.123 36.366 38.487 0.004 0.000 1.137 396 N HN 0.654 nan 8.380 nan 0.000 0.566 397 N N -0.410 118.306 118.700 0.026 0.000 2.420 397 N HA 0.474 5.214 4.740 0.001 0.000 0.249 397 N C 1.455 176.983 175.510 0.030 0.000 1.033 397 N CA 0.458 53.524 53.050 0.028 0.000 0.944 397 N CB 0.642 39.154 38.487 0.043 0.000 1.113 397 N HN 0.286 nan 8.380 nan 0.000 0.502 398 G N 3.136 111.945 108.800 0.014 0.000 2.556 398 G HA2 -0.324 3.637 3.960 0.001 0.000 0.220 398 G HA3 -0.324 3.637 3.960 0.001 0.000 0.220 398 G C 1.341 176.256 174.900 0.025 0.000 1.156 398 G CA 0.704 45.812 45.100 0.012 0.000 0.766 398 G HN 0.650 nan 8.290 nan 0.000 0.583 399 R N 0.155 120.671 120.500 0.026 0.000 2.237 399 R HA -0.006 4.335 4.340 0.001 0.000 0.219 399 R C 1.700 178.053 176.300 0.088 0.000 1.080 399 R CA 0.891 57.015 56.100 0.040 0.000 0.995 399 R CB -0.075 30.241 30.300 0.026 0.000 0.875 399 R HN 0.241 nan 8.270 nan 0.000 0.462 400 D N 0.779 121.231 120.400 0.087 0.000 2.350 400 D HA -0.117 4.523 4.640 0.001 0.000 0.216 400 D C 1.520 177.890 176.300 0.117 0.000 0.968 400 D CA 0.585 54.650 54.000 0.109 0.000 0.894 400 D CB -0.015 40.843 40.800 0.096 0.000 0.909 400 D HN 0.250 nan 8.370 nan 0.000 0.520 401 I N 0.254 120.880 120.570 0.095 0.000 2.567 401 I HA -0.235 3.936 4.170 0.001 0.000 0.257 401 I C 0.949 177.134 176.117 0.113 0.000 1.184 401 I CA 1.005 62.359 61.300 0.090 0.000 1.451 401 I CB 0.233 38.272 38.000 0.064 0.000 1.089 401 I HN -0.145 nan 8.210 nan 0.000 0.441 402 N N 0.943 119.728 118.700 0.141 0.000 2.328 402 N HA 0.166 4.906 4.740 0.001 0.000 0.247 402 N C -0.096 175.602 175.510 0.313 0.000 1.165 402 N CA -0.126 53.043 53.050 0.199 0.000 0.873 402 N CB 0.176 38.758 38.487 0.159 0.000 1.125 402 N HN 0.140 nan 8.380 nan 0.000 0.513 403 R N -0.106 120.551 120.500 0.261 0.000 2.688 403 R HA 0.114 4.454 4.340 0.001 0.000 0.396 403 R C -0.745 175.653 176.300 0.163 0.000 1.081 403 R CA -0.628 55.659 56.100 0.313 0.000 1.093 403 R CB -0.103 30.349 30.300 0.253 0.000 1.338 403 R HN 0.287 nan 8.270 nan 0.000 0.613 404 H N 0.094 119.197 119.070 0.054 0.000 2.948 404 H HA -0.068 4.489 4.556 0.001 0.000 0.351 404 H C -0.740 174.575 175.328 -0.022 0.000 1.079 404 H CA 0.886 56.907 56.048 -0.046 0.000 1.407 404 H CB 0.346 29.944 29.762 -0.274 0.000 1.373 404 H HN 0.106 nan 8.280 nan 0.000 0.605 405 Y N 4.467 124.377 120.300 -0.650 0.000 2.425 405 Y HA 0.137 4.687 4.550 0.001 0.000 0.347 405 Y C -0.631 174.939 175.900 -0.549 0.000 0.976 405 Y CA -0.186 57.685 58.100 -0.382 0.000 1.190 405 Y CB 0.204 38.492 38.460 -0.288 0.000 1.136 405 Y HN 0.560 nan 8.280 nan 0.000 0.517 406 Y N 2.184 122.520 120.300 0.060 0.000 2.404 406 Y HA 0.224 4.774 4.550 0.001 0.000 0.344 406 Y C 0.726 176.683 175.900 0.095 0.000 0.970 406 Y CA -0.782 57.403 58.100 0.142 0.000 1.180 406 Y CB 0.854 39.462 38.460 0.247 0.000 1.138 406 Y HN 0.568 nan 8.280 nan 0.000 0.510 407 S N 0.524 116.347 115.700 0.205 0.000 2.614 407 S HA 0.092 4.562 4.470 0.001 0.000 0.265 407 S C 1.185 175.875 174.600 0.150 0.000 1.303 407 S CA -0.373 57.907 58.200 0.133 0.000 1.000 407 S CB 1.170 64.421 63.200 0.085 0.000 0.935 407 S HN 0.688 nan 8.310 nan 0.000 0.551 408 T N 1.697 116.306 114.554 0.093 0.000 2.759 408 T HA -0.086 4.265 4.350 0.001 0.000 0.269 408 T C 2.153 176.899 174.700 0.077 0.000 1.042 408 T CA 1.613 63.758 62.100 0.075 0.000 1.140 408 T CB -0.929 67.962 68.868 0.039 0.000 0.864 408 T HN 0.813 nan 8.240 nan 0.000 0.455 409 A N 1.525 124.388 122.820 0.073 0.000 1.902 409 A HA -0.148 4.173 4.320 0.001 0.000 0.217 409 A C 2.223 179.865 177.584 0.098 0.000 1.181 409 A CA 1.623 53.700 52.037 0.068 0.000 0.623 409 A CB -0.531 18.503 19.000 0.056 0.000 0.818 409 A HN 0.547 nan 8.150 nan 0.000 0.443 410 E N -0.485 119.805 120.200 0.150 0.000 2.106 410 E HA -0.126 4.225 4.350 0.001 0.000 0.192 410 E C 1.890 178.626 176.600 0.228 0.000 0.984 410 E CA 1.018 57.548 56.400 0.217 0.000 0.806 410 E CB -0.250 29.645 29.700 0.325 0.000 0.750 410 E HN 0.713 nan 8.360 nan 0.000 0.458 411 I N 1.543 122.235 120.570 0.204 0.000 2.179 411 I HA -0.277 3.894 4.170 0.001 0.000 0.242 411 I C 1.890 178.040 176.117 0.054 0.000 1.088 411 I CA 1.061 62.436 61.300 0.124 0.000 1.357 411 I CB -0.237 37.832 38.000 0.115 0.000 1.051 411 I HN 0.021 nan 8.210 nan 0.000 0.409 412 D N 0.409 120.832 120.400 0.039 0.000 2.144 412 D HA -0.213 4.428 4.640 0.001 0.000 0.199 412 D C 2.056 178.366 176.300 0.016 0.000 0.984 412 D CA 1.196 55.198 54.000 0.003 0.000 0.834 412 D CB -0.172 40.629 40.800 0.002 0.000 0.955 412 D HN 0.267 nan 8.370 nan 0.000 0.465 413 E N 0.865 121.093 120.200 0.046 0.000 2.106 413 E HA -0.092 4.259 4.350 0.001 0.000 0.192 413 E C 1.500 178.128 176.600 0.046 0.000 0.984 413 E CA 0.981 57.409 56.400 0.047 0.000 0.806 413 E CB -0.239 29.498 29.700 0.063 0.000 0.750 413 E HN 0.202 nan 8.360 nan 0.000 0.458 414 N N -0.601 118.137 118.700 0.063 0.000 2.331 414 N HA -0.021 4.719 4.740 0.001 0.000 0.180 414 N C 1.325 176.848 175.510 0.023 0.000 1.019 414 N CA 0.580 53.660 53.050 0.049 0.000 0.881 414 N CB -0.028 38.497 38.487 0.062 0.000 0.972 414 N HN 0.155 nan 8.380 nan 0.000 0.435 415 L N 0.430 121.656 121.223 0.006 0.000 2.456 415 L HA -0.072 4.268 4.340 0.001 0.000 0.224 415 L C 1.524 178.387 176.870 -0.011 0.000 1.148 415 L CA 0.901 55.730 54.840 -0.020 0.000 0.825 415 L CB -0.089 41.919 42.059 -0.086 0.000 0.937 415 L HN 0.173 nan 8.230 nan 0.000 0.450 416 K N -0.207 120.195 120.400 0.002 0.000 2.361 416 K HA 0.056 4.377 4.320 0.001 0.000 0.196 416 K C 0.450 177.061 176.600 0.017 0.000 1.039 416 K CA -0.006 56.285 56.287 0.007 0.000 1.001 416 K CB 0.190 32.697 32.500 0.011 0.000 0.795 416 K HN 0.247 nan 8.250 nan 0.000 0.495 417 R N 1.331 121.844 120.500 0.021 0.000 2.489 417 R HA 0.011 4.352 4.340 0.001 0.000 0.287 417 R C -1.965 174.355 176.300 0.033 0.000 1.053 417 R CA -1.332 54.784 56.100 0.028 0.000 1.036 417 R CB 0.147 30.459 30.300 0.020 0.000 0.966 417 R HN -0.109 nan 8.270 nan 0.000 0.432 418 P HA -0.245 nan 4.420 nan 0.000 0.216 418 P C 1.302 178.638 177.300 0.059 0.000 1.153 418 P CA 0.901 64.030 63.100 0.047 0.000 0.858 418 P CB 0.188 31.919 31.700 0.052 0.000 0.789 419 V N -0.635 119.324 119.914 0.074 0.000 2.515 419 V HA -0.168 3.953 4.120 0.001 0.000 0.250 419 V C 2.069 178.219 176.094 0.094 0.000 1.058 419 V CA 1.742 64.105 62.300 0.105 0.000 1.064 419 V CB -0.766 31.146 31.823 0.149 0.000 0.675 419 V HN -0.094 nan 8.190 nan 0.000 0.461 420 V N -0.037 119.914 119.914 0.061 0.000 2.379 420 V HA -0.192 3.929 4.120 0.001 0.000 0.245 420 V C 2.475 178.616 176.094 0.078 0.000 1.044 420 V CA 2.186 64.532 62.300 0.076 0.000 1.036 420 V CB -0.711 31.143 31.823 0.051 0.000 0.664 420 V HN 0.527 nan 8.190 nan 0.000 0.453 421 K N 0.556 120.987 120.400 0.050 0.000 2.097 421 K HA -0.102 4.218 4.320 0.001 0.000 0.206 421 K C 2.312 178.935 176.600 0.037 0.000 1.049 421 K CA 1.427 57.735 56.287 0.035 0.000 0.933 421 K CB -0.394 32.119 32.500 0.022 0.000 0.717 421 K HN 0.465 nan 8.250 nan 0.000 0.442 422 A N 1.433 124.279 122.820 0.044 0.000 1.902 422 A HA -0.153 4.168 4.320 0.001 0.000 0.217 422 A C 2.087 179.690 177.584 0.031 0.000 1.181 422 A CA 1.143 53.199 52.037 0.032 0.000 0.623 422 A CB -0.441 18.583 19.000 0.040 0.000 0.818 422 A HN 0.219 nan 8.150 nan 0.000 0.443 423 L N 0.262 121.518 121.223 0.055 0.000 2.056 423 L HA -0.096 4.245 4.340 0.001 0.000 0.207 423 L C 1.789 178.712 176.870 0.090 0.000 1.078 423 L CA 2.064 56.944 54.840 0.066 0.000 0.749 423 L CB -0.890 41.232 42.059 0.106 0.000 0.901 423 L HN 0.297 nan 8.230 nan 0.000 0.433 424 N N 0.286 119.035 118.700 0.082 0.000 2.104 424 N HA -0.143 4.598 4.740 0.001 0.000 0.190 424 N C 1.837 177.346 175.510 -0.001 0.000 1.024 424 N CA 1.641 54.713 53.050 0.037 0.000 0.853 424 N CB -0.485 38.035 38.487 0.054 0.000 1.008 424 N HN 0.519 nan 8.380 nan 0.000 0.424 425 A N 0.604 123.433 122.820 0.015 0.000 1.898 425 A HA -0.068 4.253 4.320 0.001 0.000 0.216 425 A C 2.218 179.821 177.584 0.031 0.000 1.181 425 A CA 0.921 52.962 52.037 0.007 0.000 0.620 425 A CB -0.694 18.301 19.000 -0.007 0.000 0.819 425 A HN 0.241 nan 8.150 nan 0.000 0.442 426 L N -0.302 120.954 121.223 0.054 0.000 2.046 426 L HA -0.037 4.303 4.340 0.001 0.000 0.208 426 L C 2.671 179.680 176.870 0.231 0.000 1.077 426 L CA 2.092 57.014 54.840 0.137 0.000 0.747 426 L CB -0.711 41.421 42.059 0.121 0.000 0.896 426 L HN 0.340 nan 8.230 nan 0.000 0.432 427 A N -0.695 122.221 122.820 0.160 0.000 1.898 427 A HA -0.245 4.075 4.320 0.001 0.000 0.216 427 A C 2.446 179.905 177.584 -0.209 0.000 1.181 427 A CA 1.843 53.813 52.037 -0.111 0.000 0.620 427 A CB -0.598 18.266 19.000 -0.226 0.000 0.819 427 A HN 0.478 nan 8.150 nan 0.000 0.442 428 K N -1.454 118.876 120.400 -0.116 0.000 2.057 428 K HA -0.181 4.140 4.320 0.001 0.000 0.207 428 K C 1.804 178.365 176.600 -0.065 0.000 1.049 428 K CA 1.727 57.952 56.287 -0.103 0.000 0.931 428 K CB -0.346 32.123 32.500 -0.052 0.000 0.714 428 K HN 0.400 nan 8.250 nan 0.000 0.440 429 F N 1.763 121.619 119.950 -0.157 0.000 2.134 429 F HA -0.166 4.362 4.527 0.001 0.000 0.299 429 F C 2.313 178.018 175.800 -0.159 0.000 1.097 429 F CA 1.684 59.594 58.000 -0.150 0.000 1.264 429 F CB -0.192 38.710 39.000 -0.163 0.000 1.001 429 F HN -0.023 nan 8.300 nan 0.000 0.479 430 R N 0.992 121.347 120.500 -0.241 0.000 2.189 430 R HA -0.103 4.237 4.340 0.001 0.000 0.223 430 R C 1.535 177.460 176.300 -0.626 0.000 1.092 430 R CA 1.733 57.383 56.100 -0.750 0.000 0.989 430 R CB -0.877 28.866 30.300 -0.928 0.000 0.876 430 R HN 0.284 nan 8.270 nan 0.000 0.457 431 N N 0.011 118.466 118.700 -0.408 0.000 2.409 431 N HA -0.025 4.715 4.740 0.001 0.000 0.174 431 N C 0.766 176.140 175.510 -0.227 0.000 1.037 431 N CA 0.962 53.826 53.050 -0.309 0.000 0.898 431 N CB 0.280 38.616 38.487 -0.252 0.000 1.010 431 N HN 0.449 nan 8.380 nan 0.000 0.445 432 E N -0.092 119.974 120.200 -0.223 0.000 2.307 432 E HA 0.074 4.425 4.350 0.001 0.000 0.195 432 E C -0.000 176.484 176.600 -0.193 0.000 0.975 432 E CA -0.224 56.072 56.400 -0.174 0.000 0.878 432 E CB 0.521 30.146 29.700 -0.125 0.000 0.845 432 E HN 0.022 nan 8.360 nan 0.000 0.488 433 L N 3.141 124.177 121.223 -0.312 0.000 2.361 433 L HA 0.031 4.372 4.340 0.001 0.000 0.278 433 L C 0.484 177.239 176.870 -0.193 0.000 1.113 433 L CA -0.015 54.634 54.840 -0.319 0.000 0.849 433 L CB 0.839 42.487 42.059 -0.684 0.000 1.155 433 L HN -0.031 nan 8.230 nan 0.000 0.452 434 D N 2.635 122.952 120.400 -0.138 0.000 2.378 434 D HA -0.104 4.537 4.640 0.001 0.000 0.227 434 D C 1.612 177.831 176.300 -0.134 0.000 1.012 434 D CA 0.948 54.884 54.000 -0.107 0.000 0.905 434 D CB 0.020 40.785 40.800 -0.059 0.000 0.895 434 D HN 0.547 nan 8.370 nan 0.000 0.532 435 A N 0.346 123.023 122.820 -0.237 0.000 1.940 435 A HA -0.126 4.195 4.320 0.001 0.000 0.219 435 A C 1.703 179.109 177.584 -0.297 0.000 1.176 435 A CA 0.999 52.891 52.037 -0.241 0.000 0.631 435 A CB -1.166 17.631 19.000 -0.338 0.000 0.814 435 A HN 0.278 nan 8.150 nan 0.000 0.446 436 F N 0.557 120.274 119.950 -0.388 0.000 2.408 436 F HA -0.085 4.443 4.527 0.001 0.000 0.300 436 F C 1.154 176.594 175.800 -0.600 0.000 1.090 436 F CA 1.114 58.577 58.000 -0.895 0.000 1.427 436 F CB -0.113 38.305 39.000 -0.969 0.000 1.070 436 F HN 0.221 nan 8.300 nan 0.000 0.549 437 D N -0.573 119.752 120.400 -0.124 0.000 2.342 437 D HA 0.154 4.795 4.640 0.001 0.000 0.221 437 D C 1.510 177.858 176.300 0.081 0.000 1.101 437 D CA 0.369 54.346 54.000 -0.040 0.000 0.837 437 D CB 0.053 40.823 40.800 -0.050 0.000 0.938 437 D HN 0.288 nan 8.370 nan 0.000 0.508 438 G N 0.399 109.314 108.800 0.193 0.000 3.134 438 G HA2 0.342 4.303 3.960 0.001 0.000 0.158 438 G HA3 0.342 4.303 3.960 0.001 0.000 0.158 438 G C -0.080 175.042 174.900 0.370 0.000 1.334 438 G CA -0.220 45.022 45.100 0.237 0.000 1.001 438 G HN 0.159 nan 8.290 nan 0.000 0.600 439 T N -1.815 112.898 114.554 0.265 0.000 2.875 439 T HA 0.592 4.943 4.350 0.001 0.000 0.284 439 T C -1.024 173.656 174.700 -0.033 0.000 0.995 439 T CA -0.531 61.653 62.100 0.140 0.000 1.060 439 T CB 1.692 70.590 68.868 0.050 0.000 0.967 439 T HN 0.312 nan 8.240 nan 0.000 0.476 440 F N 2.733 122.399 119.950 -0.474 0.000 2.450 440 F HA 0.685 5.213 4.527 0.001 0.000 0.332 440 F C -0.062 175.512 175.800 -0.377 0.000 1.093 440 F CA -0.315 57.144 58.000 -0.902 0.000 1.003 440 F CB 1.593 39.822 39.000 -1.285 0.000 1.151 440 F HN 1.003 nan 8.300 nan 0.000 0.474 441 S N 4.684 119.618 115.700 -1.277 0.000 2.588 441 S HA 0.749 5.219 4.470 0.001 0.000 0.269 441 S C -1.578 172.506 174.600 -0.861 0.000 1.157 441 S CA -0.684 56.989 58.200 -0.880 0.000 0.824 441 S CB 1.888 64.828 63.200 -0.434 0.000 1.126 441 S HN 1.150 nan 8.310 nan 0.000 0.464 442 Y N -1.507 118.419 120.300 -0.624 0.000 2.624 442 Y HA 0.836 5.387 4.550 0.001 0.000 0.334 442 Y C -0.907 174.839 175.900 -0.257 0.000 1.155 442 Y CA -0.550 57.304 58.100 -0.410 0.000 1.046 442 Y CB 1.189 39.463 38.460 -0.311 0.000 1.316 442 Y HN 1.102 nan 8.280 nan 0.000 0.457 443 T N -0.646 113.788 114.554 -0.201 0.000 2.903 443 T HA 0.686 5.037 4.350 0.001 0.000 0.299 443 T C -1.159 173.507 174.700 -0.057 0.000 1.093 443 T CA -0.705 61.271 62.100 -0.207 0.000 1.002 443 T CB 1.770 70.542 68.868 -0.161 0.000 1.127 443 T HN 1.032 nan 8.240 nan 0.000 0.488 444 T N 0.814 115.349 114.554 -0.031 0.000 2.916 444 T HA 0.377 4.727 4.350 0.001 0.000 0.298 444 T C -1.502 173.196 174.700 -0.004 0.000 1.031 444 T CA -0.590 61.519 62.100 0.015 0.000 0.993 444 T CB 1.544 70.472 68.868 0.101 0.000 1.045 444 T HN 0.764 nan 8.240 nan 0.000 0.454 445 D N 5.052 125.448 120.400 -0.007 0.000 2.563 445 D HA 0.098 4.739 4.640 0.001 0.000 0.222 445 D C -0.094 176.205 176.300 -0.001 0.000 1.145 445 D CA -0.143 53.851 54.000 -0.010 0.000 1.001 445 D CB -0.078 40.712 40.800 -0.017 0.000 1.049 445 D HN 0.821 nan 8.370 nan 0.000 0.515 446 D N 2.963 123.366 120.400 0.005 0.000 3.651 446 D HA -0.285 4.356 4.640 0.001 0.000 0.191 446 D C 0.486 176.789 176.300 0.006 0.000 1.196 446 D CA 0.753 54.758 54.000 0.007 0.000 0.897 446 D CB -0.647 40.151 40.800 -0.002 0.000 0.872 446 D HN 0.552 nan 8.370 nan 0.000 0.441 447 D N -0.154 120.258 120.400 0.021 0.000 3.028 447 D HA -0.267 4.373 4.640 0.001 0.000 0.211 447 D C 0.809 177.120 176.300 0.019 0.000 1.136 447 D CA 2.498 56.511 54.000 0.023 0.000 0.987 447 D CB -0.892 39.896 40.800 -0.019 0.000 1.128 447 D HN 0.577 nan 8.370 nan 0.000 0.406 448 T N -1.940 112.614 114.554 -0.000 0.000 3.004 448 T HA 0.221 4.572 4.350 0.001 0.000 0.243 448 T C 0.685 175.351 174.700 -0.057 0.000 1.020 448 T CA 0.880 62.965 62.100 -0.024 0.000 1.145 448 T CB 0.167 69.022 68.868 -0.021 0.000 0.876 448 T HN 0.405 nan 8.240 nan 0.000 0.449 449 S N -0.300 115.379 115.700 -0.036 0.000 2.638 449 S HA 0.757 5.228 4.470 0.001 0.000 0.274 449 S C -1.423 173.170 174.600 -0.011 0.000 1.157 449 S CA -0.959 57.214 58.200 -0.044 0.000 0.826 449 S CB 2.042 65.218 63.200 -0.040 0.000 1.139 449 S HN 0.320 nan 8.310 nan 0.000 0.474 450 I N 0.743 121.308 120.570 -0.008 0.000 2.692 450 I HA 0.612 4.782 4.170 0.001 0.000 0.293 450 I C -1.566 174.393 176.117 -0.263 0.000 1.200 450 I CA -0.267 60.959 61.300 -0.124 0.000 1.036 450 I CB 2.201 40.125 38.000 -0.126 0.000 1.258 450 I HN 0.784 nan 8.210 nan 0.000 0.421 451 S N 6.674 122.180 115.700 -0.323 0.000 2.478 451 S HA 0.617 5.088 4.470 0.001 0.000 0.312 451 S C -1.018 173.399 174.600 -0.304 0.000 1.094 451 S CA -0.337 57.723 58.200 -0.234 0.000 1.081 451 S CB 0.928 64.081 63.200 -0.078 0.000 1.007 451 S HN 0.363 nan 8.310 nan 0.000 0.475 452 F N 1.566 121.623 119.950 0.177 0.000 2.427 452 F HA 0.524 5.052 4.527 0.001 0.000 0.346 452 F C 0.872 176.869 175.800 0.327 0.000 1.120 452 F CA -0.517 57.667 58.000 0.306 0.000 1.033 452 F CB 1.629 40.978 39.000 0.581 0.000 1.126 452 F HN 0.291 nan 8.300 nan 0.000 0.462 453 T N 2.170 116.874 114.554 0.250 0.000 2.876 453 T HA 0.440 4.791 4.350 0.001 0.000 0.289 453 T C -1.495 173.214 174.700 0.015 0.000 1.014 453 T CA -0.710 61.520 62.100 0.216 0.000 0.986 453 T CB 0.900 69.795 68.868 0.045 0.000 1.021 453 T HN 0.436 nan 8.240 nan 0.000 0.458 454 W N 1.908 123.336 121.300 0.213 0.000 2.739 454 W HA 0.602 5.263 4.660 0.001 0.000 0.331 454 W C 0.027 176.537 176.519 -0.014 0.000 1.049 454 W CA -0.923 56.461 57.345 0.065 0.000 1.234 454 W CB 1.455 30.804 29.460 -0.185 0.000 1.404 454 W HN 0.249 nan 8.180 nan 0.000 0.477 455 R N 2.181 122.808 120.500 0.212 0.000 2.439 455 R HA 0.688 5.029 4.340 0.001 0.000 0.310 455 R C 0.239 176.608 176.300 0.114 0.000 0.955 455 R CA -0.648 55.525 56.100 0.121 0.000 0.853 455 R CB 1.785 32.127 30.300 0.070 0.000 1.171 455 R HN 0.695 nan 8.270 nan 0.000 0.449 456 G N 0.745 109.585 108.800 0.067 0.000 3.107 456 G HA2 0.150 4.111 3.960 0.001 0.000 0.232 456 G HA3 0.150 4.111 3.960 0.001 0.000 0.232 456 G C 0.256 175.175 174.900 0.031 0.000 1.339 456 G CA -0.453 44.673 45.100 0.045 0.000 1.033 456 G HN 0.546 nan 8.290 nan 0.000 0.567 457 E N -0.899 119.313 120.200 0.019 0.000 2.077 457 E HA -0.118 4.233 4.350 0.001 0.000 0.193 457 E C 1.842 178.453 176.600 0.018 0.000 0.989 457 E CA 1.837 58.246 56.400 0.016 0.000 0.800 457 E CB -0.006 29.698 29.700 0.008 0.000 0.746 457 E HN 0.500 nan 8.360 nan 0.000 0.452 458 T N -2.497 112.068 114.554 0.019 0.000 3.275 458 T HA 0.241 4.592 4.350 0.001 0.000 0.298 458 T C -0.103 174.625 174.700 0.047 0.000 0.988 458 T CA -0.103 62.014 62.100 0.029 0.000 0.936 458 T CB 0.435 69.319 68.868 0.027 0.000 1.159 458 T HN 0.106 nan 8.240 nan 0.000 0.519 459 S N 0.474 116.202 115.700 0.046 0.000 2.636 459 S HA 0.708 5.179 4.470 0.001 0.000 0.268 459 S C -1.925 172.719 174.600 0.074 0.000 1.159 459 S CA -0.990 57.257 58.200 0.079 0.000 0.815 459 S CB 2.096 65.344 63.200 0.079 0.000 1.130 459 S HN 0.822 nan 8.310 nan 0.000 0.471 460 Q N 0.051 119.929 119.800 0.130 0.000 2.527 460 Q HA 0.796 5.137 4.340 0.001 0.000 0.280 460 Q C -1.690 174.466 176.000 0.260 0.000 0.977 460 Q CA -1.328 54.560 55.803 0.143 0.000 0.837 460 Q CB 1.530 30.345 28.738 0.129 0.000 1.454 460 Q HN 1.722 nan 8.270 nan 0.000 0.387 461 A N 1.002 124.003 122.820 0.301 0.000 2.547 461 A HA 0.820 5.141 4.320 0.001 0.000 0.297 461 A C -1.198 176.739 177.584 0.589 0.000 1.056 461 A CA -0.565 51.782 52.037 0.516 0.000 0.688 461 A CB 2.472 21.823 19.000 0.586 0.000 1.282 461 A HN 0.597 nan 8.150 nan 0.000 0.400 462 T N 1.899 116.754 114.554 0.501 0.000 2.881 462 T HA 0.523 4.873 4.350 0.001 0.000 0.291 462 T C -1.142 173.657 174.700 0.165 0.000 0.990 462 T CA -0.202 62.106 62.100 0.346 0.000 0.976 462 T CB 1.030 70.023 68.868 0.209 0.000 0.970 462 T HN 0.730 nan 8.240 nan 0.000 0.438 463 L N 3.759 124.929 121.223 -0.089 0.000 2.287 463 L HA 0.639 4.980 4.340 0.001 0.000 0.287 463 L C -0.301 176.587 176.870 0.029 0.000 1.022 463 L CA 0.130 54.809 54.840 -0.269 0.000 0.814 463 L CB 1.358 42.820 42.059 -0.995 0.000 1.217 463 L HN 0.561 nan 8.230 nan 0.000 0.420 464 T N 5.816 120.414 114.554 0.075 0.000 2.758 464 T HA 0.383 4.734 4.350 0.001 0.000 0.285 464 T C -0.988 173.842 174.700 0.217 0.000 0.981 464 T CA 0.011 62.177 62.100 0.111 0.000 0.965 464 T CB 0.368 69.279 68.868 0.070 0.000 0.927 464 T HN 0.339 nan 8.240 nan 0.000 0.448 465 F N 3.317 123.304 119.950 0.061 0.000 2.402 465 F HA 0.491 5.019 4.527 0.001 0.000 0.355 465 F C 0.164 176.000 175.800 0.061 0.000 1.123 465 F CA -1.433 56.625 58.000 0.096 0.000 1.021 465 F CB 0.950 40.077 39.000 0.211 0.000 1.160 465 F HN 0.532 nan 8.300 nan 0.000 0.451 466 E N 8.976 129.011 120.200 -0.276 0.000 2.914 466 E HA 0.259 4.610 4.350 0.001 0.000 0.246 466 E C -2.143 174.228 176.600 -0.382 0.000 1.146 466 E CA -2.008 54.196 56.400 -0.326 0.000 0.803 466 E CB 1.211 30.841 29.700 -0.117 0.000 1.409 466 E HN 0.348 nan 8.360 nan 0.000 0.392 467 P HA -0.253 nan 4.420 nan 0.000 0.217 467 P C 1.007 178.182 177.300 -0.207 0.000 1.148 467 P CA 1.242 64.088 63.100 -0.425 0.000 0.828 467 P CB 0.042 31.438 31.700 -0.506 0.000 0.783 468 K N 0.148 120.442 120.400 -0.177 0.000 2.442 468 K HA -0.056 4.265 4.320 0.001 0.000 0.198 468 K C 2.037 178.606 176.600 -0.052 0.000 1.044 468 K CA 0.623 56.853 56.287 -0.096 0.000 0.948 468 K CB -0.385 32.071 32.500 -0.072 0.000 0.762 468 K HN 0.040 nan 8.250 nan 0.000 0.472 469 R N 0.466 120.936 120.500 -0.049 0.000 2.189 469 R HA -0.013 4.328 4.340 0.001 0.000 0.218 469 R C 0.773 177.087 176.300 0.023 0.000 1.074 469 R CA 1.121 57.216 56.100 -0.009 0.000 0.991 469 R CB 0.186 30.486 30.300 0.000 0.000 0.883 469 R HN 0.399 nan 8.270 nan 0.000 0.457 470 G N 0.531 109.360 108.800 0.048 0.000 4.412 470 G HA2 0.263 4.223 3.960 0.001 0.000 0.262 470 G HA3 0.263 4.223 3.960 0.001 0.000 0.262 470 G C -0.393 174.626 174.900 0.198 0.000 1.142 470 G CA -0.597 44.569 45.100 0.110 0.000 0.783 470 G HN -0.066 nan 8.290 nan 0.000 0.533 471 L N 0.895 122.173 121.223 0.091 0.000 2.464 471 L HA 0.633 4.974 4.340 0.001 0.000 0.264 471 L C 1.065 178.000 176.870 0.109 0.000 1.199 471 L CA 0.569 55.458 54.840 0.083 0.000 0.818 471 L CB 0.899 42.954 42.059 -0.007 0.000 1.102 471 L HN 0.595 nan 8.230 nan 0.000 0.473 472 G N 0.494 109.371 108.800 0.128 0.000 3.069 472 G HA2 -0.081 3.879 3.960 0.001 0.000 0.686 472 G HA3 -0.081 3.879 3.960 0.001 0.000 0.686 472 G C 0.130 175.065 174.900 0.057 0.000 1.161 472 G CA -0.422 44.720 45.100 0.070 0.000 0.804 472 G HN 0.768 nan 8.290 nan 0.000 0.608 473 V N -1.636 118.288 119.914 0.016 0.000 2.720 473 V HA 0.028 4.149 4.120 0.001 0.000 0.256 473 V C 1.524 177.563 176.094 -0.091 0.000 1.082 473 V CA 2.336 64.611 62.300 -0.041 0.000 1.101 473 V CB -0.136 31.660 31.823 -0.044 0.000 0.693 473 V HN 0.619 nan 8.190 nan 0.000 0.479 474 D N 0.780 121.146 120.400 -0.057 0.000 2.340 474 D HA 0.070 4.711 4.640 0.001 0.000 0.217 474 D C 0.843 177.104 176.300 -0.066 0.000 1.081 474 D CA 0.031 53.998 54.000 -0.054 0.000 0.842 474 D CB -0.280 40.507 40.800 -0.022 0.000 0.934 474 D HN 0.669 nan 8.370 nan 0.000 0.511 475 N N 1.395 120.036 118.700 -0.099 0.000 2.412 475 N HA -0.073 4.668 4.740 0.001 0.000 0.254 475 N C 0.697 176.148 175.510 -0.098 0.000 1.232 475 N CA 0.891 53.889 53.050 -0.087 0.000 0.880 475 N CB 0.941 39.379 38.487 -0.082 0.000 1.076 475 N HN -0.056 nan 8.380 nan 0.000 0.458 476 T N -1.383 113.148 114.554 -0.038 0.000 3.043 476 T HA 0.118 4.469 4.350 0.001 0.000 0.272 476 T C 0.195 174.901 174.700 0.010 0.000 0.990 476 T CA -0.339 61.751 62.100 -0.017 0.000 0.897 476 T CB -0.146 68.721 68.868 -0.002 0.000 1.111 476 T HN 0.348 nan 8.240 nan 0.000 0.529 477 T N 4.949 119.514 114.554 0.018 0.000 2.817 477 T HA 0.423 4.774 4.350 0.001 0.000 0.293 477 T C -2.684 172.056 174.700 0.067 0.000 0.964 477 T CA -1.016 61.108 62.100 0.040 0.000 1.085 477 T CB 1.123 70.014 68.868 0.039 0.000 0.921 477 T HN 0.097 nan 8.240 nan 0.000 0.502 478 P HA 0.089 nan 4.420 nan 0.000 0.268 478 P C 0.599 177.967 177.300 0.113 0.000 1.205 478 P CA -0.256 62.903 63.100 0.098 0.000 0.771 478 P CB 0.470 32.220 31.700 0.084 0.000 0.858 479 V N -0.232 119.779 119.914 0.162 0.000 3.319 479 V HA 0.718 4.839 4.120 0.001 0.000 0.317 479 V C 0.192 176.416 176.094 0.216 0.000 1.411 479 V CA -0.081 62.309 62.300 0.151 0.000 1.112 479 V CB -0.425 31.499 31.823 0.168 0.000 1.031 479 V HN 0.495 nan 8.190 nan 0.000 0.448 480 A N 1.982 124.925 122.820 0.204 0.000 2.488 480 A HA 0.907 5.228 4.320 0.001 0.000 0.298 480 A C -0.784 176.878 177.584 0.130 0.000 1.044 480 A CA -0.568 51.597 52.037 0.214 0.000 0.693 480 A CB 1.898 21.030 19.000 0.221 0.000 1.272 480 A HN 0.768 nan 8.150 nan 0.000 0.402 481 M N 1.600 121.268 119.600 0.115 0.000 2.591 481 M HA 0.929 5.410 4.480 0.001 0.000 0.306 481 M C -1.754 174.607 176.300 0.101 0.000 1.190 481 M CA -0.901 54.459 55.300 0.101 0.000 0.889 481 M CB 2.002 34.658 32.600 0.094 0.000 1.728 481 M HN 0.639 nan 8.290 nan 0.000 0.458 482 L N 2.079 123.387 121.223 0.142 0.000 2.406 482 L HA 0.616 4.956 4.340 0.001 0.000 0.272 482 L C -1.542 175.547 176.870 0.364 0.000 0.980 482 L CA 0.193 55.156 54.840 0.205 0.000 0.831 482 L CB 2.254 44.399 42.059 0.144 0.000 1.253 482 L HN 0.911 nan 8.230 nan 0.000 0.406 483 E N 4.554 124.980 120.200 0.375 0.000 2.199 483 E HA 0.646 4.996 4.350 0.001 0.000 0.269 483 E C -1.813 175.128 176.600 0.569 0.000 0.899 483 E CA -0.449 56.172 56.400 0.369 0.000 0.772 483 E CB 1.742 31.561 29.700 0.198 0.000 1.155 483 E HN 0.617 nan 8.360 nan 0.000 0.408 484 W N 0.922 122.371 121.300 0.248 0.000 3.137 484 W HA 0.526 5.187 4.660 0.001 0.000 0.324 484 W C -1.592 175.082 176.519 0.258 0.000 1.253 484 W CA -0.697 56.831 57.345 0.304 0.000 1.183 484 W CB 0.950 30.706 29.460 0.492 0.000 1.424 484 W HN 0.250 nan 8.180 nan 0.000 0.566 485 E N 2.231 122.605 120.200 0.290 0.000 2.224 485 E HA 0.357 4.708 4.350 0.001 0.000 0.265 485 E C -0.908 175.851 176.600 0.264 0.000 0.878 485 E CA -0.736 55.724 56.400 0.100 0.000 0.759 485 E CB 2.088 31.818 29.700 0.050 0.000 1.164 485 E HN 0.471 nan 8.360 nan 0.000 0.414 486 D N 0.003 120.558 120.400 0.258 0.000 2.801 486 D HA 0.104 4.744 4.640 0.001 0.000 0.277 486 D C 0.785 177.188 176.300 0.173 0.000 1.125 486 D CA -0.625 53.542 54.000 0.278 0.000 1.102 486 D CB -0.037 41.017 40.800 0.423 0.000 1.400 486 D HN 0.243 nan 8.370 nan 0.000 0.601 487 S N -1.510 114.279 115.700 0.148 0.000 2.469 487 S HA -0.000 4.470 4.470 0.001 0.000 0.238 487 S C 1.382 176.044 174.600 0.104 0.000 0.998 487 S CA 0.606 58.865 58.200 0.099 0.000 0.957 487 S CB -0.613 62.633 63.200 0.078 0.000 0.764 487 S HN 0.729 nan 8.310 nan 0.000 0.514 488 A N 0.479 123.401 122.820 0.170 0.000 2.713 488 A HA 0.709 5.029 4.320 0.001 0.000 0.296 488 A C 0.961 178.634 177.584 0.148 0.000 1.255 488 A CA -0.050 52.088 52.037 0.169 0.000 0.955 488 A CB -0.693 18.424 19.000 0.195 0.000 1.149 488 A HN 1.426 nan 8.150 nan 0.000 0.538 489 G N -0.361 108.438 108.800 -0.002 0.000 2.409 489 G HA2 0.084 4.045 3.960 0.001 0.000 0.421 489 G HA3 0.084 4.045 3.960 0.001 0.000 0.421 489 G C -1.853 172.676 174.900 -0.619 0.000 1.259 489 G CA -0.539 44.397 45.100 -0.273 0.000 1.011 489 G HN 0.173 nan 8.290 nan 0.000 0.497 490 D N 1.258 121.232 120.400 -0.710 0.000 2.349 490 D HA 0.587 5.228 4.640 0.001 0.000 0.232 490 D C 0.123 175.889 176.300 -0.890 0.000 1.071 490 D CA -0.141 53.469 54.000 -0.650 0.000 0.832 490 D CB 0.722 41.337 40.800 -0.308 0.000 1.086 490 D HN 0.461 nan 8.370 nan 0.000 0.504 491 H N 0.976 119.669 119.070 -0.629 0.000 2.737 491 H HA 0.702 5.259 4.556 0.001 0.000 0.358 491 H C -0.127 174.857 175.328 -0.573 0.000 1.187 491 H CA -0.789 54.762 56.048 -0.828 0.000 1.221 491 H CB 2.647 31.343 29.762 -1.776 0.000 1.799 491 H HN 0.282 nan 8.280 nan 0.000 0.568 492 R N 0.624 121.009 120.500 -0.192 0.000 2.560 492 R HA 0.270 4.610 4.340 0.001 0.000 0.267 492 R C -1.722 174.689 176.300 0.184 0.000 1.150 492 R CA -0.327 55.819 56.100 0.076 0.000 0.997 492 R CB 1.756 32.079 30.300 0.038 0.000 1.250 492 R HN 0.629 nan 8.270 nan 0.000 0.433 493 S N 2.232 118.108 115.700 0.293 0.000 2.478 493 S HA 0.301 4.772 4.470 0.001 0.000 0.312 493 S C -0.444 174.241 174.600 0.143 0.000 1.094 493 S CA -0.669 57.659 58.200 0.214 0.000 1.081 493 S CB 1.351 64.683 63.200 0.221 0.000 1.007 493 S HN 0.668 nan 8.310 nan 0.000 0.475 494 D N 2.545 123.008 120.400 0.105 0.000 2.363 494 D HA 0.209 4.850 4.640 0.001 0.000 0.214 494 D C -0.622 175.724 176.300 0.077 0.000 1.093 494 D CA 0.319 54.370 54.000 0.085 0.000 0.837 494 D CB 0.414 41.255 40.800 0.068 0.000 0.948 494 D HN 0.574 nan 8.370 nan 0.000 0.507 495 D N 0.668 121.114 120.400 0.077 0.000 2.354 495 D HA 0.072 4.713 4.640 0.001 0.000 0.230 495 D C 0.939 177.274 176.300 0.058 0.000 1.361 495 D CA -0.332 53.709 54.000 0.067 0.000 0.992 495 D CB 0.813 41.649 40.800 0.060 0.000 1.409 495 D HN -0.115 nan 8.370 nan 0.000 0.573 496 L N 3.093 124.345 121.223 0.049 0.000 2.456 496 L HA 0.021 4.362 4.340 0.001 0.000 0.224 496 L C 1.983 178.866 176.870 0.022 0.000 1.148 496 L CA 0.733 55.584 54.840 0.019 0.000 0.825 496 L CB -0.017 42.042 42.059 0.002 0.000 0.937 496 L HN 0.503 nan 8.230 nan 0.000 0.450 497 I N -0.827 119.769 120.570 0.043 0.000 2.628 497 I HA -0.048 4.123 4.170 0.001 0.000 0.255 497 I C 2.564 178.707 176.117 0.043 0.000 1.119 497 I CA 0.750 62.078 61.300 0.047 0.000 1.448 497 I CB -0.175 37.864 38.000 0.064 0.000 1.133 497 I HN 0.107 nan 8.210 nan 0.000 0.438 498 A N 0.176 123.024 122.820 0.046 0.000 2.072 498 A HA -0.033 4.287 4.320 0.001 0.000 0.216 498 A C 1.108 178.720 177.584 0.046 0.000 1.156 498 A CA 1.101 53.164 52.037 0.044 0.000 0.701 498 A CB -0.226 18.801 19.000 0.045 0.000 0.816 498 A HN 0.404 nan 8.150 nan 0.000 0.458 499 N N 0.038 118.768 118.700 0.050 0.000 2.752 499 N HA 0.230 4.971 4.740 0.001 0.000 0.260 499 N C -3.251 172.286 175.510 0.046 0.000 1.562 499 N CA -2.030 51.057 53.050 0.062 0.000 0.788 499 N CB 1.136 39.674 38.487 0.085 0.000 1.192 499 N HN 0.068 nan 8.380 nan 0.000 0.503 500 P HA 0.221 nan 4.420 nan 0.000 0.271 500 P C -2.671 174.571 177.300 -0.095 0.000 1.216 500 P CA -0.823 62.249 63.100 -0.047 0.000 0.776 500 P CB 0.308 31.992 31.700 -0.027 0.000 0.881 501 P HA 0.140 nan 4.420 nan 0.000 0.276 501 P C -0.815 176.273 177.300 -0.353 0.000 1.230 501 P CA -0.029 62.663 63.100 -0.680 0.000 0.776 501 P CB 0.781 31.385 31.700 -1.827 0.000 0.888 502 V N 3.805 123.685 119.914 -0.057 0.000 2.577 502 V HA 0.167 4.288 4.120 0.001 0.000 0.303 502 V C 0.346 176.595 176.094 0.259 0.000 1.042 502 V CA -0.918 61.455 62.300 0.121 0.000 0.872 502 V CB 2.276 34.158 31.823 0.098 0.000 0.998 502 V HN 0.288 nan 8.190 nan 0.000 0.423 503 V N 4.235 124.291 119.914 0.238 0.000 2.555 503 V HA 0.517 4.638 4.120 0.001 0.000 0.286 503 V C 1.098 177.291 176.094 0.164 0.000 1.044 503 V CA 0.196 62.629 62.300 0.222 0.000 1.026 503 V CB 1.265 33.122 31.823 0.056 0.000 0.981 503 V HN 1.112 nan 8.190 nan 0.000 0.480 504 A N 0.000 122.935 122.820 0.192 0.000 2.254 504 A HA 0.000 4.321 4.320 0.001 0.000 0.244 504 A CA 0.000 52.117 52.037 0.134 0.000 0.836 504 A CB 0.000 19.096 19.000 0.160 0.000 0.831 504 A HN 0.000 nan 8.150 nan 0.000 0.486