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 3div_1_A DATA FIRST_RESID 1 DATA SEQUENCE AVGPVADNTI TDAATSPDGF SRQAVVVNGV TPGPLVAGNI GDRFQLNVID DATA SEQUENCE NLTNHTMLKT TSVHWHGFFQ QGTNWADGPA FINQcPISPG HSFLYDFQVP DATA SEQUENCE NQAGTFWYHS HLSTQYcDGL RGPFVVYDPN DPHASRYDVD NDDTVITLAD DATA SEQUENCE WYHTAAKLGP RFPAGADATL INGKGRAPSD TSAELSVIKV TKGKRXRFRL DATA SEQUENCE VSLScDPNFT FSIDGHNLTI IEVDSSNSQP LSVDSIQIFA AQRYSFVLNA DATA SEQUENCE NQAVDNYWIR ANPNFGNVGF NGGINSAILR YDGAPAVEPT TNQTTSVKPL DATA SEQUENCE NEVNLHPLVS TPVPGSPSSG GVDKAINMAF NFNGSNFFIN GASFVPPSVP DATA SEQUENCE VLLQILSGAQ TAQDLLPSGS VXVLPSNASI EISFPATAAA PGAPHPFHLH DATA SEQUENCE GHTFAVVRSA GSTVYNYSNP IFRDVVSTGT PAAGDNVTIR FLTNNPGPWF DATA SEQUENCE LHCHIDFHLE GGFAVVQAED VPDVKATNPV PQAWSDLcPT YDANAPSDQ 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 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.593 177.584 0.016 0.000 1.274 1 A CA 0.000 52.065 52.037 0.046 0.000 0.836 1 A CB 0.000 19.033 19.000 0.055 0.000 0.831 2 V N -0.892 119.022 119.914 -0.000 0.000 2.837 2 V HA 0.829 4.948 4.120 -0.001 0.000 0.310 2 V C 0.710 176.761 176.094 -0.072 0.000 1.059 2 V CA 0.207 62.489 62.300 -0.031 0.000 1.004 2 V CB 0.435 32.244 31.823 -0.022 0.000 1.045 2 V HN 2.636 nan 8.190 nan 0.000 0.465 3 G N 3.122 111.870 108.800 -0.086 0.000 2.710 3 G HA2 -0.068 3.891 3.960 -0.001 0.000 0.668 3 G HA3 -0.068 3.891 3.960 -0.001 0.000 0.668 3 G C -1.872 172.942 174.900 -0.143 0.000 1.320 3 G CA -0.160 44.868 45.100 -0.120 0.000 0.860 3 G HN 0.775 nan 8.290 nan 0.000 0.538 4 P HA 0.167 nan 4.420 nan 0.000 0.223 4 P C 0.608 177.722 177.300 -0.309 0.000 1.151 4 P CA 0.955 63.783 63.100 -0.454 0.000 0.787 4 P CB 0.190 31.268 31.700 -1.036 0.000 0.788 5 V N 0.151 119.923 119.914 -0.238 0.000 2.357 5 V HA 0.711 4.831 4.120 -0.001 0.000 0.284 5 V C 0.083 176.108 176.094 -0.114 0.000 1.018 5 V CA -0.582 61.614 62.300 -0.173 0.000 0.841 5 V CB 0.700 32.426 31.823 -0.161 0.000 0.991 5 V HN 0.129 nan 8.190 nan 0.000 0.437 6 A N 3.731 126.499 122.820 -0.087 0.000 2.608 6 A HA 0.728 5.047 4.320 -0.001 0.000 0.292 6 A C -1.671 175.905 177.584 -0.013 0.000 1.066 6 A CA -0.748 51.259 52.037 -0.050 0.000 0.676 6 A CB 1.525 20.491 19.000 -0.058 0.000 1.277 6 A HN 0.589 nan 8.150 nan 0.000 0.413 7 D N 1.663 122.070 120.400 0.012 0.000 2.225 7 D HA 0.395 5.034 4.640 -0.001 0.000 0.248 7 D C -0.809 175.529 176.300 0.065 0.000 1.096 7 D CA 0.187 54.216 54.000 0.049 0.000 0.863 7 D CB 0.982 41.812 40.800 0.049 0.000 1.156 7 D HN 0.359 nan 8.370 nan 0.000 0.450 8 N N 1.064 119.828 118.700 0.106 0.000 2.511 8 N HA 0.205 4.944 4.740 -0.001 0.000 0.249 8 N C -0.854 174.748 175.510 0.152 0.000 0.971 8 N CA -0.264 52.862 53.050 0.126 0.000 0.938 8 N CB 1.244 39.821 38.487 0.151 0.000 1.131 8 N HN 0.111 nan 8.380 nan 0.000 0.505 9 T N 3.171 117.805 114.554 0.133 0.000 2.743 9 T HA 0.399 4.749 4.350 -0.001 0.000 0.293 9 T C 0.555 175.344 174.700 0.148 0.000 0.945 9 T CA -0.397 61.783 62.100 0.133 0.000 1.030 9 T CB 0.729 69.660 68.868 0.106 0.000 0.912 9 T HN 0.166 nan 8.240 nan 0.000 0.483 10 I N 4.790 125.456 120.570 0.160 0.000 2.336 10 I HA 0.457 4.627 4.170 -0.001 0.000 0.292 10 I C 0.828 177.032 176.117 0.146 0.000 0.991 10 I CA -0.633 60.767 61.300 0.167 0.000 1.227 10 I CB 0.634 38.746 38.000 0.185 0.000 1.366 10 I HN 0.731 nan 8.210 nan 0.000 0.466 11 T N 1.550 116.188 114.554 0.140 0.000 2.864 11 T HA 0.512 4.862 4.350 -0.001 0.000 0.299 11 T C -0.767 174.010 174.700 0.129 0.000 1.166 11 T CA -0.996 61.178 62.100 0.124 0.000 1.007 11 T CB 2.530 71.462 68.868 0.107 0.000 1.219 11 T HN 0.388 nan 8.240 nan 0.000 0.506 12 D N 0.673 121.144 120.400 0.118 0.000 2.210 12 D HA 0.628 5.267 4.640 -0.001 0.000 0.249 12 D C -0.316 176.051 176.300 0.110 0.000 1.078 12 D CA -0.263 53.809 54.000 0.120 0.000 0.875 12 D CB 1.828 42.694 40.800 0.111 0.000 1.175 12 D HN 0.951 nan 8.370 nan 0.000 0.440 13 A N 0.612 123.504 122.820 0.120 0.000 2.612 13 A HA 0.652 4.971 4.320 -0.001 0.000 0.293 13 A C -1.116 176.539 177.584 0.118 0.000 1.075 13 A CA -0.769 51.331 52.037 0.106 0.000 0.680 13 A CB 1.435 20.494 19.000 0.098 0.000 1.279 13 A HN 0.547 nan 8.150 nan 0.000 0.411 14 A N 0.913 123.789 122.820 0.094 0.000 2.409 14 A HA 0.654 4.974 4.320 -0.001 0.000 0.262 14 A C 0.544 178.186 177.584 0.096 0.000 1.113 14 A CA 0.703 52.797 52.037 0.094 0.000 0.790 14 A CB -0.490 18.544 19.000 0.056 0.000 1.046 14 A HN 2.029 nan 8.150 nan 0.000 0.496 15 T N -0.896 113.736 114.554 0.131 0.000 2.906 15 T HA 0.714 5.063 4.350 -0.001 0.000 0.295 15 T C -0.385 174.375 174.700 0.100 0.000 1.075 15 T CA -0.079 62.075 62.100 0.090 0.000 1.005 15 T CB 1.655 70.562 68.868 0.065 0.000 1.136 15 T HN 1.318 nan 8.240 nan 0.000 0.498 16 S N 0.169 115.887 115.700 0.030 0.000 2.359 16 S HA 0.377 4.846 4.470 -0.001 0.000 0.148 16 S C -2.130 172.452 174.600 -0.030 0.000 1.610 16 S CA -0.942 57.286 58.200 0.048 0.000 1.274 16 S CB 0.809 64.033 63.200 0.040 0.000 1.380 16 S HN 0.631 nan 8.310 nan 0.000 0.380 17 P HA -0.005 nan 4.420 nan 0.000 0.226 17 P C 0.292 177.520 177.300 -0.120 0.000 1.153 17 P CA 1.230 64.181 63.100 -0.248 0.000 0.777 17 P CB -0.070 31.275 31.700 -0.593 0.000 0.794 18 D N -2.676 117.719 120.400 -0.008 0.000 2.535 18 D HA 0.206 4.845 4.640 -0.001 0.000 0.229 18 D C 1.272 177.658 176.300 0.143 0.000 1.238 18 D CA 0.003 54.060 54.000 0.095 0.000 0.824 18 D CB -0.273 40.645 40.800 0.196 0.000 1.045 18 D HN 0.185 nan 8.370 nan 0.000 0.500 19 G N 0.405 109.271 108.800 0.110 0.000 2.199 19 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.254 19 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.254 19 G C -0.159 174.817 174.900 0.127 0.000 0.982 19 G CA 0.078 45.239 45.100 0.100 0.000 0.632 19 G HN 0.412 nan 8.290 nan 0.000 0.529 20 F N 2.957 122.901 119.950 -0.010 0.000 2.371 20 F HA 0.724 5.250 4.527 -0.001 0.000 0.363 20 F C 0.565 176.348 175.800 -0.030 0.000 1.122 20 F CA -0.494 57.440 58.000 -0.109 0.000 1.129 20 F CB 1.464 40.187 39.000 -0.461 0.000 1.173 20 F HN 0.080 nan 8.300 nan 0.000 0.489 21 S N 5.961 121.486 115.700 -0.291 0.000 2.531 21 S HA 0.578 5.047 4.470 -0.001 0.000 0.279 21 S C -0.441 174.076 174.600 -0.138 0.000 1.305 21 S CA -0.380 57.735 58.200 -0.141 0.000 1.058 21 S CB 0.052 63.167 63.200 -0.141 0.000 0.899 21 S HN 0.846 nan 8.310 nan 0.000 0.493 22 R N 3.023 123.605 120.500 0.136 0.000 2.629 22 R HA 0.374 4.714 4.340 -0.001 0.000 0.266 22 R C -1.610 174.827 176.300 0.229 0.000 1.051 22 R CA -0.834 55.393 56.100 0.212 0.000 0.895 22 R CB 0.360 30.910 30.300 0.418 0.000 1.246 22 R HN 0.392 nan 8.270 nan 0.000 0.459 23 Q N 1.246 121.148 119.800 0.169 0.000 2.311 23 Q HA 0.520 4.860 4.340 -0.001 0.000 0.272 23 Q C -0.504 175.619 176.000 0.204 0.000 1.012 23 Q CA 0.657 56.556 55.803 0.160 0.000 0.891 23 Q CB 1.504 30.311 28.738 0.114 0.000 1.201 23 Q HN 0.769 nan 8.270 nan 0.000 0.391 24 A N 2.133 125.091 122.820 0.229 0.000 2.569 24 A HA 0.653 4.972 4.320 -0.001 0.000 0.290 24 A C -0.982 176.734 177.584 0.220 0.000 1.136 24 A CA -0.678 51.526 52.037 0.278 0.000 0.710 24 A CB 1.397 20.687 19.000 0.484 0.000 1.303 24 A HN 0.387 nan 8.150 nan 0.000 0.413 25 V N 1.340 121.388 119.914 0.223 0.000 2.461 25 V HA 0.505 4.624 4.120 -0.001 0.000 0.275 25 V C 0.223 176.446 176.094 0.216 0.000 1.047 25 V CA -0.089 62.330 62.300 0.198 0.000 0.955 25 V CB 0.655 32.589 31.823 0.185 0.000 0.988 25 V HN 1.126 nan 8.190 nan 0.000 0.471 26 V N 3.482 123.509 119.914 0.188 0.000 3.001 26 V HA 0.850 4.970 4.120 -0.001 0.000 0.314 26 V C -0.646 175.556 176.094 0.181 0.000 1.099 26 V CA -0.790 61.617 62.300 0.178 0.000 0.989 26 V CB 2.264 34.176 31.823 0.147 0.000 1.040 26 V HN 0.444 nan 8.190 nan 0.000 0.434 27 V N 2.796 122.824 119.914 0.189 0.000 2.444 27 V HA 0.523 4.642 4.120 -0.001 0.000 0.294 27 V C 0.053 176.248 176.094 0.168 0.000 1.022 27 V CA -0.655 61.770 62.300 0.209 0.000 0.850 27 V CB 0.942 32.948 31.823 0.304 0.000 0.992 27 V HN 1.027 nan 8.190 nan 0.000 0.426 28 N N 3.959 122.743 118.700 0.141 0.000 2.707 28 N HA -0.227 4.512 4.740 -0.001 0.000 0.253 28 N C 1.264 176.832 175.510 0.098 0.000 0.998 28 N CA 1.664 54.779 53.050 0.109 0.000 0.751 28 N CB -1.058 37.489 38.487 0.100 0.000 0.920 28 N HN 1.557 nan 8.380 nan 0.000 0.539 29 G N -3.252 105.608 108.800 0.100 0.000 2.205 29 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.261 29 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.261 29 G C 0.111 175.061 174.900 0.083 0.000 0.980 29 G CA 0.978 46.130 45.100 0.086 0.000 0.632 29 G HN 1.411 nan 8.290 nan 0.000 0.533 30 V N -2.738 117.233 119.914 0.094 0.000 2.914 30 V HA 0.951 5.070 4.120 -0.001 0.000 0.314 30 V C -0.262 175.889 176.094 0.094 0.000 1.084 30 V CA 0.058 62.404 62.300 0.077 0.000 0.963 30 V CB 2.150 34.011 31.823 0.063 0.000 1.025 30 V HN 0.870 nan 8.190 nan 0.000 0.432 31 T N 4.027 118.614 114.554 0.055 0.000 2.881 31 T HA 0.669 5.019 4.350 -0.001 0.000 0.290 31 T C -2.673 172.002 174.700 -0.041 0.000 1.000 31 T CA -1.272 60.860 62.100 0.053 0.000 0.978 31 T CB 1.720 70.658 68.868 0.117 0.000 0.997 31 T HN 0.960 nan 8.240 nan 0.000 0.443 32 P HA 0.270 nan 4.420 nan 0.000 0.270 32 P C 0.569 177.912 177.300 0.072 0.000 1.223 32 P CA -0.204 62.919 63.100 0.038 0.000 0.785 32 P CB 0.136 31.837 31.700 0.001 0.000 0.923 33 G N 1.799 110.663 108.800 0.107 0.000 2.699 33 G HA2 0.283 4.243 3.960 -0.001 0.000 0.246 33 G HA3 0.283 4.243 3.960 -0.001 0.000 0.246 33 G C -2.250 172.789 174.900 0.230 0.000 1.219 33 G CA -0.823 44.407 45.100 0.217 0.000 0.866 33 G HN 0.445 nan 8.290 nan 0.000 0.572 34 P HA 0.119 nan 4.420 nan 0.000 0.272 34 P C -0.183 177.273 177.300 0.261 0.000 1.230 34 P CA -0.658 62.561 63.100 0.199 0.000 0.788 34 P CB 0.964 32.751 31.700 0.146 0.000 0.949 35 L N 2.617 123.947 121.223 0.177 0.000 2.477 35 L HA 0.075 4.414 4.340 -0.001 0.000 0.272 35 L C -0.518 176.415 176.870 0.105 0.000 1.157 35 L CA 0.181 55.128 54.840 0.179 0.000 0.889 35 L CB -0.094 42.044 42.059 0.131 0.000 1.158 35 L HN 0.046 nan 8.230 nan 0.000 0.473 36 V N 6.016 125.958 119.914 0.046 0.000 2.465 36 V HA 0.824 4.943 4.120 -0.001 0.000 0.279 36 V C 0.448 176.327 176.094 -0.359 0.000 1.045 36 V CA 0.139 62.253 62.300 -0.311 0.000 0.938 36 V CB 0.686 32.044 31.823 -0.775 0.000 0.986 36 V HN 1.063 nan 8.190 nan 0.000 0.467 37 A N 3.431 126.149 122.820 -0.170 0.000 2.556 37 A HA 1.040 5.359 4.320 -0.001 0.000 0.294 37 A C -0.136 177.587 177.584 0.231 0.000 1.091 37 A CA -0.005 52.081 52.037 0.081 0.000 0.704 37 A CB 2.189 21.340 19.000 0.252 0.000 1.300 37 A HN 1.283 nan 8.150 nan 0.000 0.406 38 G N 0.028 109.063 108.800 0.393 0.000 2.561 38 G HA2 0.547 4.506 3.960 -0.001 0.000 0.310 38 G HA3 0.547 4.506 3.960 -0.001 0.000 0.310 38 G C -1.874 173.224 174.900 0.331 0.000 1.292 38 G CA -0.686 44.565 45.100 0.251 0.000 0.811 38 G HN 0.701 nan 8.290 nan 0.000 0.482 39 N N -0.490 118.313 118.700 0.173 0.000 2.362 39 N HA 0.381 5.120 4.740 -0.001 0.000 0.299 39 N C -0.460 175.149 175.510 0.165 0.000 1.170 39 N CA -0.588 52.578 53.050 0.194 0.000 0.825 39 N CB 2.790 41.344 38.487 0.111 0.000 1.299 39 N HN 0.612 nan 8.380 nan 0.000 0.502 40 I N 0.379 121.051 120.570 0.170 0.000 2.775 40 I HA 0.030 4.199 4.170 -0.001 0.000 0.290 40 I C 1.295 177.460 176.117 0.080 0.000 1.203 40 I CA 1.368 62.753 61.300 0.140 0.000 1.433 40 I CB -0.072 38.007 38.000 0.131 0.000 1.354 40 I HN 0.896 nan 8.210 nan 0.000 0.579 41 G N 4.602 113.442 108.800 0.066 0.000 2.234 41 G HA2 -0.239 3.721 3.960 -0.001 0.000 0.235 41 G HA3 -0.239 3.721 3.960 -0.001 0.000 0.235 41 G C 0.060 174.940 174.900 -0.033 0.000 0.997 41 G CA 0.091 45.204 45.100 0.021 0.000 0.623 41 G HN 0.654 nan 8.290 nan 0.000 0.514 42 D N 0.335 120.690 120.400 -0.074 0.000 2.382 42 D HA 0.438 5.077 4.640 -0.001 0.000 0.240 42 D C 0.841 176.966 176.300 -0.291 0.000 1.146 42 D CA -0.009 53.825 54.000 -0.276 0.000 0.897 42 D CB 0.617 41.061 40.800 -0.592 0.000 1.197 42 D HN 0.491 nan 8.370 nan 0.000 0.432 43 R N 1.664 121.942 120.500 -0.370 0.000 2.294 43 R HA 0.310 4.649 4.340 -0.001 0.000 0.319 43 R C -1.074 174.880 176.300 -0.577 0.000 0.984 43 R CA -0.473 55.428 56.100 -0.333 0.000 0.861 43 R CB 0.275 30.447 30.300 -0.214 0.000 1.104 43 R HN 0.167 nan 8.270 nan 0.000 0.451 44 F N 2.571 122.134 119.950 -0.645 0.000 2.420 44 F HA 0.307 4.833 4.527 -0.001 0.000 0.342 44 F C 0.298 175.684 175.800 -0.691 0.000 1.113 44 F CA -0.332 57.198 58.000 -0.783 0.000 1.059 44 F CB 2.022 40.245 39.000 -1.296 0.000 1.128 44 F HN 0.362 nan 8.300 nan 0.000 0.475 45 Q N 4.828 124.441 119.800 -0.312 0.000 2.674 45 Q HA 0.389 4.728 4.340 -0.001 0.000 0.249 45 Q C -1.300 174.608 176.000 -0.153 0.000 1.011 45 Q CA -0.291 55.387 55.803 -0.208 0.000 0.734 45 Q CB 1.577 30.223 28.738 -0.155 0.000 1.201 45 Q HN 0.600 nan 8.270 nan 0.000 0.498 46 L N 2.348 123.484 121.223 -0.145 0.000 2.272 46 L HA 0.337 4.676 4.340 -0.001 0.000 0.284 46 L C -0.007 176.946 176.870 0.137 0.000 1.045 46 L CA -0.709 54.098 54.840 -0.055 0.000 0.842 46 L CB 0.492 42.408 42.059 -0.238 0.000 1.224 46 L HN 0.359 nan 8.230 nan 0.000 0.430 47 N N 3.012 121.771 118.700 0.098 0.000 2.402 47 N HA 0.169 4.908 4.740 -0.001 0.000 0.252 47 N C -0.841 174.800 175.510 0.218 0.000 1.118 47 N CA -0.191 52.938 53.050 0.132 0.000 0.945 47 N CB 0.962 39.488 38.487 0.066 0.000 1.147 47 N HN 0.220 nan 8.380 nan 0.000 0.495 48 V N 5.741 125.861 119.914 0.343 0.000 2.385 48 V HA 0.304 4.423 4.120 -0.001 0.000 0.269 48 V C 0.472 176.746 176.094 0.301 0.000 1.043 48 V CA -0.522 62.005 62.300 0.378 0.000 0.906 48 V CB 0.392 32.564 31.823 0.582 0.000 0.995 48 V HN 0.541 nan 8.190 nan 0.000 0.467 49 I N 4.229 124.936 120.570 0.229 0.000 2.328 49 I HA 0.289 4.458 4.170 -0.001 0.000 0.287 49 I C -0.118 176.111 176.117 0.186 0.000 1.012 49 I CA -0.359 61.054 61.300 0.188 0.000 1.195 49 I CB 1.324 39.407 38.000 0.138 0.000 1.350 49 I HN 0.486 nan 8.210 nan 0.000 0.464 50 D N 6.428 126.947 120.400 0.198 0.000 2.422 50 D HA 0.105 4.744 4.640 -0.001 0.000 0.227 50 D C 0.040 176.433 176.300 0.154 0.000 1.190 50 D CA 0.018 54.130 54.000 0.187 0.000 0.905 50 D CB 0.479 41.403 40.800 0.206 0.000 1.034 50 D HN 0.322 nan 8.370 nan 0.000 0.507 51 N N 3.836 122.618 118.700 0.136 0.000 2.389 51 N HA 0.155 4.894 4.740 -0.001 0.000 0.260 51 N C -0.245 175.332 175.510 0.113 0.000 1.191 51 N CA -0.232 52.886 53.050 0.112 0.000 0.885 51 N CB 0.301 38.845 38.487 0.096 0.000 1.162 51 N HN 0.434 nan 8.380 nan 0.000 0.512 52 L N 0.242 121.541 121.223 0.127 0.000 2.397 52 L HA 0.223 4.562 4.340 -0.001 0.000 0.271 52 L C 1.514 178.454 176.870 0.116 0.000 1.148 52 L CA 0.176 55.091 54.840 0.125 0.000 0.825 52 L CB 0.923 43.066 42.059 0.139 0.000 1.117 52 L HN 0.159 nan 8.230 nan 0.000 0.456 53 T N -3.190 111.429 114.554 0.108 0.000 3.016 53 T HA 0.110 4.459 4.350 -0.001 0.000 0.271 53 T C 0.389 175.153 174.700 0.107 0.000 0.968 53 T CA -0.361 61.798 62.100 0.098 0.000 0.891 53 T CB 0.016 68.933 68.868 0.082 0.000 1.149 53 T HN 0.385 nan 8.240 nan 0.000 0.524 54 N N 1.397 120.167 118.700 0.117 0.000 2.511 54 N HA 0.204 4.943 4.740 -0.001 0.000 0.249 54 N C 0.354 175.948 175.510 0.140 0.000 0.971 54 N CA -0.191 52.930 53.050 0.118 0.000 0.938 54 N CB 1.329 39.874 38.487 0.097 0.000 1.131 54 N HN 0.262 nan 8.380 nan 0.000 0.505 55 H N 2.758 121.864 119.070 0.061 0.000 2.421 55 H HA -0.021 4.534 4.556 -0.001 0.000 0.298 55 H C 0.985 176.349 175.328 0.060 0.000 1.087 55 H CA 2.318 58.403 56.048 0.060 0.000 1.330 55 H CB 0.292 30.082 29.762 0.047 0.000 1.388 55 H HN 0.491 nan 8.280 nan 0.000 0.526 56 T N 0.186 114.697 114.554 -0.072 0.000 2.803 56 T HA -0.146 4.203 4.350 -0.001 0.000 0.269 56 T C 1.613 176.260 174.700 -0.089 0.000 1.052 56 T CA 1.711 63.743 62.100 -0.112 0.000 1.136 56 T CB -0.113 68.746 68.868 -0.015 0.000 0.864 56 T HN 0.418 nan 8.240 nan 0.000 0.467 57 M N 0.367 119.952 119.600 -0.026 0.000 2.356 57 M HA 0.364 4.843 4.480 -0.001 0.000 0.262 57 M C -0.612 175.704 176.300 0.028 0.000 1.097 57 M CA 0.045 55.350 55.300 0.009 0.000 0.991 57 M CB 0.535 33.166 32.600 0.051 0.000 1.450 57 M HN 0.072 nan 8.290 nan 0.000 0.495 58 L N 0.800 122.026 121.223 0.006 0.000 1.598 58 L HA -0.193 4.146 4.340 -0.001 0.000 0.488 58 L C 0.378 177.329 176.870 0.136 0.000 1.002 58 L CA -0.038 54.843 54.840 0.069 0.000 1.191 58 L CB -0.288 41.821 42.059 0.085 0.000 1.600 58 L HN 0.373 nan 8.230 nan 0.000 0.867 59 K N 0.060 120.574 120.400 0.190 0.000 2.314 59 K HA 0.040 4.359 4.320 -0.001 0.000 0.198 59 K C 1.004 177.715 176.600 0.184 0.000 1.045 59 K CA 1.183 57.577 56.287 0.180 0.000 0.988 59 K CB 0.216 32.824 32.500 0.180 0.000 0.783 59 K HN 0.774 nan 8.250 nan 0.000 0.484 60 T N -1.449 113.233 114.554 0.213 0.000 2.847 60 T HA 0.313 4.662 4.350 -0.001 0.000 0.279 60 T C 0.159 174.955 174.700 0.160 0.000 0.984 60 T CA -0.464 61.764 62.100 0.213 0.000 0.988 60 T CB 1.951 71.021 68.868 0.336 0.000 1.040 60 T HN -0.075 nan 8.240 nan 0.000 0.528 61 T N -0.507 114.122 114.554 0.124 0.000 2.802 61 T HA 0.583 4.932 4.350 -0.001 0.000 0.311 61 T C -1.765 172.989 174.700 0.090 0.000 1.405 61 T CA -0.612 61.558 62.100 0.117 0.000 1.016 61 T CB 1.666 70.629 68.868 0.157 0.000 1.352 61 T HN 0.949 nan 8.240 nan 0.000 0.498 62 S N 1.157 116.915 115.700 0.097 0.000 2.543 62 S HA 0.679 5.148 4.470 -0.001 0.000 0.271 62 S C -1.661 172.975 174.600 0.060 0.000 1.148 62 S CA -0.471 57.803 58.200 0.123 0.000 0.914 62 S CB 1.293 64.502 63.200 0.015 0.000 1.096 62 S HN 0.639 nan 8.310 nan 0.000 0.471 63 V N 4.762 124.647 119.914 -0.047 0.000 2.417 63 V HA 0.465 4.584 4.120 -0.001 0.000 0.291 63 V C -0.335 175.216 176.094 -0.905 0.000 1.024 63 V CA -0.705 61.273 62.300 -0.537 0.000 0.861 63 V CB 1.336 32.668 31.823 -0.818 0.000 0.985 63 V HN 0.950 nan 8.190 nan 0.000 0.436 64 H N 3.712 122.234 119.070 -0.912 0.000 2.473 64 H HA 0.468 5.024 4.556 -0.001 0.000 0.327 64 H C -1.304 173.375 175.328 -1.082 0.000 1.105 64 H CA -1.072 54.462 56.048 -0.857 0.000 1.280 64 H CB 0.928 30.442 29.762 -0.413 0.000 1.450 64 H HN 0.622 nan 8.280 nan 0.000 0.492 65 W N 5.146 125.932 121.300 -0.857 0.000 2.295 65 W HA 0.203 4.863 4.660 -0.001 0.000 0.333 65 W C -0.208 175.706 176.519 -1.008 0.000 0.990 65 W CA -0.916 56.015 57.345 -0.691 0.000 1.453 65 W CB -0.109 29.012 29.460 -0.566 0.000 1.263 65 W HN 0.683 nan 8.180 nan 0.000 0.380 66 H N 2.013 120.482 119.070 -1.001 0.000 2.955 66 H HA 0.396 4.951 4.556 -0.001 0.000 0.290 66 H C 1.318 176.336 175.328 -0.517 0.000 1.047 66 H CA 1.483 57.026 56.048 -0.842 0.000 1.484 66 H CB 0.385 29.614 29.762 -0.889 0.000 1.501 66 H HN 0.798 nan 8.280 nan 0.000 0.521 67 G N 3.878 112.471 108.800 -0.344 0.000 2.211 67 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.201 67 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.201 67 G C -0.321 174.319 174.900 -0.434 0.000 0.997 67 G CA -0.217 44.772 45.100 -0.184 0.000 0.652 67 G HN 0.480 nan 8.290 nan 0.000 0.500 68 F N 0.984 120.701 119.950 -0.388 0.000 2.396 68 F HA 0.674 5.200 4.527 -0.001 0.000 0.343 68 F C 1.401 176.976 175.800 -0.375 0.000 1.104 68 F CA -1.124 56.521 58.000 -0.592 0.000 1.161 68 F CB 0.509 39.039 39.000 -0.783 0.000 1.146 68 F HN -0.095 nan 8.300 nan 0.000 0.522 69 F N -0.042 119.845 119.950 -0.105 0.000 2.293 69 F HA -0.129 4.397 4.527 -0.001 0.000 0.300 69 F C 1.469 177.121 175.800 -0.247 0.000 1.086 69 F CA 0.554 58.390 58.000 -0.274 0.000 1.375 69 F CB -0.821 38.051 39.000 -0.214 0.000 1.045 69 F HN 0.401 nan 8.300 nan 0.000 0.516 70 Q N 0.314 120.140 119.800 0.043 0.000 2.457 70 Q HA -0.291 4.048 4.340 -0.001 0.000 0.283 70 Q C 0.253 176.360 176.000 0.179 0.000 1.234 70 Q CA 0.798 56.629 55.803 0.046 0.000 0.877 70 Q CB -2.236 26.558 28.738 0.094 0.000 1.250 70 Q HN 0.626 nan 8.270 nan 0.000 0.481 71 Q N 0.064 119.957 119.800 0.155 0.000 2.239 71 Q HA 0.258 4.597 4.340 -0.001 0.000 0.286 71 Q C 1.300 177.380 176.000 0.134 0.000 1.102 71 Q CA 1.705 57.603 55.803 0.160 0.000 0.936 71 Q CB -0.017 28.791 28.738 0.117 0.000 1.127 71 Q HN 0.485 nan 8.270 nan 0.000 0.380 72 G N 2.935 111.822 108.800 0.144 0.000 2.179 72 G HA2 -0.299 3.660 3.960 -0.001 0.000 0.260 72 G HA3 -0.299 3.660 3.960 -0.001 0.000 0.260 72 G C 0.336 175.298 174.900 0.105 0.000 0.977 72 G CA 0.588 45.758 45.100 0.117 0.000 0.641 72 G HN 1.101 nan 8.290 nan 0.000 0.533 73 T N -2.069 112.484 114.554 -0.002 0.000 3.483 73 T HA 0.402 4.751 4.350 -0.001 0.000 0.258 73 T C 1.065 175.471 174.700 -0.489 0.000 1.013 73 T CA 0.531 62.423 62.100 -0.347 0.000 1.078 73 T CB 0.418 69.054 68.868 -0.385 0.000 1.111 73 T HN 0.211 nan 8.240 nan 0.000 0.538 74 N N 1.945 120.511 118.700 -0.224 0.000 2.205 74 N HA -0.121 4.618 4.740 -0.001 0.000 0.186 74 N C 1.661 177.010 175.510 -0.268 0.000 1.015 74 N CA 1.703 54.589 53.050 -0.273 0.000 0.862 74 N CB -0.115 38.105 38.487 -0.444 0.000 0.986 74 N HN 0.873 nan 8.380 nan 0.000 0.429 75 W N 0.138 121.294 121.300 -0.240 0.000 2.468 75 W HA 0.101 4.760 4.660 -0.001 0.000 0.262 75 W C 1.134 177.715 176.519 0.103 0.000 1.241 75 W CA 0.559 57.694 57.345 -0.350 0.000 1.232 75 W CB -0.702 28.158 29.460 -1.000 0.000 1.124 75 W HN 0.053 nan 8.180 nan 0.000 0.597 76 A N 0.534 123.084 122.820 -0.451 0.000 2.348 76 A HA 0.029 4.349 4.320 -0.001 0.000 0.224 76 A C 1.469 179.215 177.584 0.271 0.000 1.227 76 A CA 0.803 52.779 52.037 -0.101 0.000 0.885 76 A CB -0.584 17.975 19.000 -0.735 0.000 0.933 76 A HN 0.135 nan 8.150 nan 0.000 0.506 77 D N -0.750 119.745 120.400 0.158 0.000 2.178 77 D HA 0.131 4.770 4.640 -0.001 0.000 0.202 77 D C 1.608 178.077 176.300 0.282 0.000 0.974 77 D CA 2.255 56.407 54.000 0.253 0.000 0.841 77 D CB 0.099 41.076 40.800 0.295 0.000 0.953 77 D HN 0.502 nan 8.370 nan 0.000 0.478 78 G N -1.044 107.880 108.800 0.206 0.000 2.491 78 G HA2 -0.205 3.755 3.960 -0.001 0.000 0.203 78 G HA3 -0.205 3.755 3.960 -0.001 0.000 0.203 78 G C -1.941 172.911 174.900 -0.081 0.000 1.052 78 G CA -0.226 44.931 45.100 0.096 0.000 0.675 78 G HN 0.285 nan 8.290 nan 0.000 0.504 79 P HA 0.410 nan 4.420 nan 0.000 0.258 79 P C 0.341 177.434 177.300 -0.346 0.000 1.187 79 P CA 0.988 63.730 63.100 -0.597 0.000 0.767 79 P CB 0.683 31.782 31.700 -1.002 0.000 0.770 80 A N 4.550 127.236 122.820 -0.223 0.000 2.524 80 A HA 0.258 4.578 4.320 -0.001 0.000 0.250 80 A C 0.451 177.836 177.584 -0.332 0.000 1.078 80 A CA 0.049 51.825 52.037 -0.435 0.000 0.761 80 A CB -1.151 17.601 19.000 -0.414 0.000 1.012 80 A HN 0.619 nan 8.150 nan 0.000 0.500 81 F N -0.160 119.695 119.950 -0.158 0.000 2.794 81 F HA -0.264 4.262 4.527 -0.001 0.000 0.335 81 F C 0.946 176.668 175.800 -0.131 0.000 0.653 81 F CA 0.904 58.833 58.000 -0.118 0.000 1.266 81 F CB -1.638 37.328 39.000 -0.057 0.000 1.666 81 F HN 0.490 nan 8.300 nan 0.000 0.314 82 I N -1.114 119.351 120.570 -0.175 0.000 3.132 82 I HA 0.103 4.273 4.170 -0.001 0.000 0.255 82 I C 1.564 177.584 176.117 -0.161 0.000 1.118 82 I CA 1.304 62.442 61.300 -0.271 0.000 1.463 82 I CB -0.998 36.582 38.000 -0.700 0.000 1.356 82 I HN 0.091 nan 8.210 nan 0.000 0.463 83 N N 0.111 118.724 118.700 -0.146 0.000 2.227 83 N HA 0.079 4.818 4.740 -0.001 0.000 0.196 83 N C 0.043 175.750 175.510 0.329 0.000 1.142 83 N CA -0.092 52.975 53.050 0.027 0.000 0.887 83 N CB 0.699 39.160 38.487 -0.043 0.000 1.022 83 N HN 0.494 nan 8.380 nan 0.000 0.500 84 Q N -1.368 118.492 119.800 0.100 0.000 2.633 84 Q HA 0.451 4.790 4.340 -0.001 0.000 0.289 84 Q C -1.505 174.225 176.000 -0.450 0.000 0.940 84 Q CA -0.924 54.841 55.803 -0.062 0.000 0.785 84 Q CB 0.734 29.477 28.738 0.008 0.000 1.467 84 Q HN -0.108 nan 8.270 nan 0.000 0.401 85 c N 2.020 120.249 118.600 -0.618 0.000 2.604 85 c HA 0.465 5.034 4.570 -0.001 0.000 0.396 85 c C -1.981 171.664 174.090 -0.741 0.000 1.282 85 c CA -0.499 55.360 56.329 -0.784 0.000 2.292 85 c CB -0.302 41.881 42.510 -0.545 0.000 2.633 85 c HN 0.640 nan 8.230 nan 0.000 0.620 86 P HA 0.129 nan 4.420 nan 0.000 0.268 86 P C -0.465 176.657 177.300 -0.296 0.000 1.208 86 P CA 0.220 63.007 63.100 -0.522 0.000 0.777 86 P CB 0.220 31.604 31.700 -0.528 0.000 0.875 87 I N 0.695 121.185 120.570 -0.134 0.000 2.692 87 I HA 0.015 4.184 4.170 -0.001 0.000 0.284 87 I C 0.842 177.004 176.117 0.075 0.000 1.159 87 I CA 0.564 61.847 61.300 -0.028 0.000 1.423 87 I CB 0.124 38.198 38.000 0.124 0.000 1.380 87 I HN 0.256 nan 8.210 nan 0.000 0.580 88 S N 6.824 122.562 115.700 0.063 0.000 2.617 88 S HA 0.397 4.866 4.470 -0.001 0.000 0.283 88 S C -2.277 172.462 174.600 0.231 0.000 1.189 88 S CA -1.164 57.110 58.200 0.124 0.000 1.036 88 S CB 1.207 64.385 63.200 -0.037 0.000 1.014 88 S HN 0.453 nan 8.310 nan 0.000 0.522 89 P HA 0.148 nan 4.420 nan 0.000 0.269 89 P C 0.772 178.213 177.300 0.235 0.000 1.209 89 P CA 0.634 63.855 63.100 0.202 0.000 0.776 89 P CB 0.196 31.988 31.700 0.154 0.000 0.876 90 G N 0.659 109.548 108.800 0.148 0.000 2.162 90 G HA2 -0.191 3.769 3.960 -0.001 0.000 0.260 90 G HA3 -0.191 3.769 3.960 -0.001 0.000 0.260 90 G C 0.203 175.047 174.900 -0.094 0.000 0.976 90 G CA 0.011 45.131 45.100 0.033 0.000 0.655 90 G HN 0.767 nan 8.290 nan 0.000 0.533 91 H N -0.052 119.071 119.070 0.090 0.000 2.710 91 H HA 0.691 5.247 4.556 -0.001 0.000 0.361 91 H C 0.173 175.580 175.328 0.132 0.000 1.175 91 H CA 0.155 56.263 56.048 0.099 0.000 1.206 91 H CB 2.054 31.871 29.762 0.092 0.000 1.750 91 H HN 0.477 nan 8.280 nan 0.000 0.553 92 S N 0.821 116.680 115.700 0.265 0.000 2.600 92 S HA 0.653 5.122 4.470 -0.001 0.000 0.300 92 S C -1.166 173.634 174.600 0.333 0.000 1.087 92 S CA -0.800 57.554 58.200 0.257 0.000 0.965 92 S CB 2.338 65.643 63.200 0.175 0.000 1.089 92 S HN 0.464 nan 8.310 nan 0.000 0.496 93 F N 1.242 121.276 119.950 0.139 0.000 2.588 93 F HA 0.605 5.131 4.527 -0.001 0.000 0.318 93 F C -1.759 174.095 175.800 0.090 0.000 1.155 93 F CA -1.136 56.910 58.000 0.077 0.000 0.967 93 F CB 1.643 40.650 39.000 0.011 0.000 1.236 93 F HN 0.704 nan 8.300 nan 0.000 0.455 94 L N 7.491 128.298 121.223 -0.692 0.000 2.261 94 L HA 0.423 4.763 4.340 -0.001 0.000 0.289 94 L C -1.531 174.981 176.870 -0.598 0.000 1.059 94 L CA -0.180 54.397 54.840 -0.439 0.000 0.816 94 L CB -0.067 41.862 42.059 -0.217 0.000 1.191 94 L HN 0.525 nan 8.230 nan 0.000 0.431 95 Y N 3.723 123.956 120.300 -0.112 0.000 2.486 95 Y HA 0.302 4.851 4.550 -0.001 0.000 0.348 95 Y C 0.129 176.022 175.900 -0.012 0.000 1.000 95 Y CA -0.174 57.977 58.100 0.084 0.000 1.253 95 Y CB 0.488 39.137 38.460 0.315 0.000 1.140 95 Y HN 0.524 nan 8.280 nan 0.000 0.526 96 D N 5.802 126.330 120.400 0.214 0.000 2.454 96 D HA 0.307 4.946 4.640 -0.001 0.000 0.247 96 D C -1.281 175.076 176.300 0.096 0.000 1.129 96 D CA -0.377 53.680 54.000 0.095 0.000 0.877 96 D CB 0.161 41.078 40.800 0.196 0.000 1.082 96 D HN 0.285 nan 8.370 nan 0.000 0.537 97 F N 0.347 120.221 119.950 -0.127 0.000 2.662 97 F HA 0.597 5.123 4.527 -0.001 0.000 0.312 97 F C -0.958 174.783 175.800 -0.098 0.000 1.113 97 F CA -0.998 56.898 58.000 -0.174 0.000 0.951 97 F CB 1.097 39.896 39.000 -0.335 0.000 1.344 97 F HN 0.009 nan 8.300 nan 0.000 0.462 98 Q N 0.602 120.482 119.800 0.134 0.000 2.351 98 Q HA 0.748 5.087 4.340 -0.001 0.000 0.273 98 Q C -1.426 174.643 176.000 0.115 0.000 1.077 98 Q CA -1.407 54.439 55.803 0.071 0.000 0.843 98 Q CB 3.152 31.914 28.738 0.040 0.000 1.367 98 Q HN 0.627 nan 8.270 nan 0.000 0.449 99 V N 2.741 122.707 119.914 0.087 0.000 2.320 99 V HA 0.159 4.278 4.120 -0.001 0.000 0.257 99 V C -1.854 174.284 176.094 0.073 0.000 0.996 99 V CA -0.898 61.424 62.300 0.036 0.000 0.928 99 V CB 0.783 32.583 31.823 -0.038 0.000 1.169 99 V HN 0.714 nan 8.190 nan 0.000 0.475 100 P HA -0.017 nan 4.420 nan 0.000 0.224 100 P C 0.540 177.892 177.300 0.087 0.000 1.157 100 P CA 1.110 64.254 63.100 0.072 0.000 0.799 100 P CB 0.373 32.116 31.700 0.072 0.000 0.809 101 N N -1.531 117.233 118.700 0.108 0.000 2.305 101 N HA 0.106 4.846 4.740 -0.001 0.000 0.248 101 N C -0.186 175.400 175.510 0.127 0.000 1.290 101 N CA -0.259 52.870 53.050 0.132 0.000 0.873 101 N CB 0.167 38.763 38.487 0.181 0.000 1.261 101 N HN 0.127 nan 8.380 nan 0.000 0.504 102 Q N -0.008 119.845 119.800 0.088 0.000 2.389 102 Q HA 0.837 5.176 4.340 -0.001 0.000 0.277 102 Q C -1.590 174.523 176.000 0.189 0.000 1.082 102 Q CA -1.027 54.829 55.803 0.089 0.000 0.810 102 Q CB 2.863 31.576 28.738 -0.041 0.000 1.374 102 Q HN 0.296 nan 8.270 nan 0.000 0.422 103 A N 0.544 123.501 122.820 0.229 0.000 2.572 103 A HA 1.013 5.332 4.320 -0.001 0.000 0.295 103 A C -0.417 177.289 177.584 0.202 0.000 1.072 103 A CA 0.093 52.293 52.037 0.270 0.000 0.691 103 A CB 1.928 21.035 19.000 0.179 0.000 1.291 103 A HN 0.931 nan 8.150 nan 0.000 0.404 104 G N -0.658 108.245 108.800 0.171 0.000 2.260 104 G HA2 0.452 4.412 3.960 -0.001 0.000 0.250 104 G HA3 0.452 4.412 3.960 -0.001 0.000 0.250 104 G C -0.674 174.031 174.900 -0.324 0.000 1.340 104 G CA 0.016 45.016 45.100 -0.166 0.000 1.056 104 G HN 1.289 nan 8.290 nan 0.000 0.471 105 T N 1.233 115.412 114.554 -0.626 0.000 2.771 105 T HA 0.735 5.084 4.350 -0.001 0.000 0.281 105 T C -0.804 173.447 174.700 -0.748 0.000 0.982 105 T CA 0.150 61.979 62.100 -0.453 0.000 0.978 105 T CB 0.736 69.415 68.868 -0.315 0.000 0.930 105 T HN 0.446 nan 8.240 nan 0.000 0.447 106 F N 1.294 121.192 119.950 -0.087 0.000 2.814 106 F HA 0.837 5.363 4.527 -0.001 0.000 0.353 106 F C -0.668 175.258 175.800 0.209 0.000 1.177 106 F CA -1.044 56.881 58.000 -0.125 0.000 1.036 106 F CB 1.516 40.163 39.000 -0.588 0.000 1.455 106 F HN 0.607 nan 8.300 nan 0.000 0.520 107 W N 0.250 121.617 121.300 0.112 0.000 2.959 107 W HA 0.602 5.262 4.660 -0.001 0.000 0.358 107 W C -2.518 174.155 176.519 0.257 0.000 1.228 107 W CA -1.843 55.602 57.345 0.167 0.000 1.183 107 W CB 0.405 29.816 29.460 -0.083 0.000 1.467 107 W HN 0.623 nan 8.180 nan 0.000 0.578 108 Y N 0.365 120.780 120.300 0.191 0.000 2.524 108 Y HA 0.782 5.331 4.550 -0.001 0.000 0.347 108 Y C -0.927 174.833 175.900 -0.234 0.000 1.005 108 Y CA -1.290 56.694 58.100 -0.193 0.000 1.025 108 Y CB 1.633 40.145 38.460 0.087 0.000 1.275 108 Y HN 0.732 nan 8.280 nan 0.000 0.460 109 H N -1.097 117.718 119.070 -0.426 0.000 3.037 109 H HA 0.506 5.062 4.556 -0.001 0.000 0.336 109 H C -1.119 174.093 175.328 -0.194 0.000 1.323 109 H CA -1.075 54.767 56.048 -0.345 0.000 1.159 109 H CB 1.024 30.351 29.762 -0.725 0.000 1.882 109 H HN 0.786 nan 8.280 nan 0.000 0.535 110 S N 0.380 116.158 115.700 0.129 0.000 2.558 110 S HA -0.064 4.405 4.470 -0.001 0.000 0.293 110 S C -0.005 174.721 174.600 0.210 0.000 1.292 110 S CA -0.097 58.188 58.200 0.142 0.000 1.063 110 S CB -0.105 63.219 63.200 0.207 0.000 0.831 110 S HN 0.809 nan 8.310 nan 0.000 0.499 111 H N 4.036 123.144 119.070 0.063 0.000 2.505 111 H HA 0.386 4.942 4.556 -0.001 0.000 0.260 111 H C -0.967 174.397 175.328 0.059 0.000 1.168 111 H CA -0.381 55.721 56.048 0.091 0.000 0.945 111 H CB 0.139 29.901 29.762 0.000 0.000 1.800 111 H HN 0.453 nan 8.280 nan 0.000 0.586 112 L N 0.691 122.014 121.223 0.166 0.000 2.319 112 L HA 0.347 4.686 4.340 -0.001 0.000 0.281 112 L C 0.646 177.586 176.870 0.116 0.000 1.005 112 L CA 0.414 55.333 54.840 0.132 0.000 0.828 112 L CB 1.329 43.439 42.059 0.085 0.000 1.227 112 L HN 0.277 nan 8.230 nan 0.000 0.415 113 S N 2.918 118.694 115.700 0.127 0.000 3.711 113 S HA -0.303 4.166 4.470 -0.001 0.000 0.625 113 S C 0.933 175.524 174.600 -0.016 0.000 2.458 113 S CA 1.913 60.156 58.200 0.071 0.000 4.059 113 S CB -1.343 61.898 63.200 0.069 0.000 0.257 113 S HN 1.321 nan 8.310 nan 0.000 0.974 114 T N -0.049 114.464 114.554 -0.068 0.000 3.214 114 T HA 0.384 4.733 4.350 -0.001 0.000 0.264 114 T C 1.165 175.757 174.700 -0.179 0.000 1.012 114 T CA 0.804 62.774 62.100 -0.216 0.000 0.901 114 T CB 0.440 69.154 68.868 -0.256 0.000 1.070 114 T HN 0.584 nan 8.240 nan 0.000 0.561 115 Q N 0.731 120.508 119.800 -0.039 0.000 2.170 115 Q HA -0.179 4.160 4.340 -0.001 0.000 0.203 115 Q C 1.836 177.890 176.000 0.090 0.000 0.976 115 Q CA 1.601 57.424 55.803 0.034 0.000 0.858 115 Q CB -0.304 28.489 28.738 0.092 0.000 0.907 115 Q HN 0.933 nan 8.270 nan 0.000 0.433 116 Y N -1.501 118.816 120.300 0.029 0.000 2.352 116 Y HA -0.147 4.403 4.550 -0.001 0.000 0.292 116 Y C 1.960 177.909 175.900 0.083 0.000 1.136 116 Y CA 0.872 59.022 58.100 0.083 0.000 1.227 116 Y CB -0.975 37.553 38.460 0.114 0.000 0.991 116 Y HN 0.133 nan 8.280 nan 0.000 0.545 117 c N 0.910 119.293 118.600 -0.361 0.000 2.422 117 c HA -0.141 4.428 4.570 -0.001 0.000 0.279 117 c C 1.902 175.973 174.090 -0.032 0.000 1.305 117 c CA 1.031 57.199 56.329 -0.268 0.000 1.757 117 c CB -0.929 41.283 42.510 -0.496 0.000 1.962 117 c HN 0.556 nan 8.230 nan 0.000 0.499 118 D N -0.220 120.177 120.400 -0.005 0.000 2.363 118 D HA 0.185 4.824 4.640 -0.001 0.000 0.226 118 D C 1.771 178.207 176.300 0.226 0.000 1.020 118 D CA 1.299 55.328 54.000 0.047 0.000 0.892 118 D CB 0.039 40.864 40.800 0.041 0.000 0.900 118 D HN 0.674 nan 8.370 nan 0.000 0.531 119 G N 0.148 109.138 108.800 0.316 0.000 2.485 119 G HA2 -0.197 3.763 3.960 -0.001 0.000 0.181 119 G HA3 -0.197 3.763 3.960 -0.001 0.000 0.181 119 G C -0.003 175.087 174.900 0.317 0.000 0.999 119 G CA -0.361 44.987 45.100 0.412 0.000 0.721 119 G HN 0.213 nan 8.290 nan 0.000 0.486 120 L N 3.437 124.837 121.223 0.296 0.000 2.387 120 L HA 0.730 5.069 4.340 -0.001 0.000 0.267 120 L C 0.573 177.604 176.870 0.269 0.000 1.197 120 L CA -0.615 54.386 54.840 0.269 0.000 1.070 120 L CB -1.296 40.908 42.059 0.242 0.000 1.349 120 L HN 0.492 nan 8.230 nan 0.000 0.422 121 R N 2.437 123.047 120.500 0.185 0.000 2.604 121 R HA 0.841 5.180 4.340 -0.001 0.000 0.261 121 R C -0.919 175.280 176.300 -0.167 0.000 1.080 121 R CA -0.754 55.390 56.100 0.073 0.000 0.917 121 R CB 1.014 31.524 30.300 0.350 0.000 1.252 121 R HN 0.448 nan 8.270 nan 0.000 0.456 122 G N 1.483 109.930 108.800 -0.589 0.000 2.623 122 G HA2 0.648 4.607 3.960 -0.001 0.000 0.290 122 G HA3 0.648 4.607 3.960 -0.001 0.000 0.290 122 G C -3.208 171.531 174.900 -0.269 0.000 1.437 122 G CA -1.294 43.489 45.100 -0.528 0.000 0.798 122 G HN 0.401 nan 8.290 nan 0.000 0.488 123 P HA 0.603 nan 4.420 nan 0.000 0.279 123 P C -1.553 176.042 177.300 0.491 0.000 1.252 123 P CA -0.543 62.700 63.100 0.239 0.000 0.811 123 P CB 1.625 33.396 31.700 0.119 0.000 1.035 124 F N 1.373 121.529 119.950 0.345 0.000 2.653 124 F HA 0.362 4.888 4.527 -0.001 0.000 0.327 124 F C -1.581 174.405 175.800 0.309 0.000 1.195 124 F CA -0.890 57.346 58.000 0.394 0.000 0.993 124 F CB 1.263 40.582 39.000 0.531 0.000 1.259 124 F HN -0.040 nan 8.300 nan 0.000 0.478 125 V N 6.119 126.336 119.914 0.504 0.000 2.495 125 V HA 0.591 4.710 4.120 -0.001 0.000 0.298 125 V C -0.844 175.391 176.094 0.234 0.000 1.031 125 V CA -0.892 61.541 62.300 0.222 0.000 0.871 125 V CB 1.921 33.603 31.823 -0.235 0.000 0.988 125 V HN 0.480 nan 8.190 nan 0.000 0.432 126 V N 5.342 125.429 119.914 0.288 0.000 2.350 126 V HA 0.420 4.539 4.120 -0.001 0.000 0.285 126 V C -0.731 175.418 176.094 0.092 0.000 1.014 126 V CA -0.742 61.735 62.300 0.294 0.000 0.831 126 V CB 0.988 33.076 31.823 0.441 0.000 1.000 126 V HN 0.713 nan 8.190 nan 0.000 0.433 127 Y N 2.215 122.658 120.300 0.240 0.000 2.301 127 Y HA 0.423 4.972 4.550 -0.001 0.000 0.328 127 Y C 0.554 176.540 175.900 0.143 0.000 1.242 127 Y CA -0.313 57.885 58.100 0.163 0.000 1.323 127 Y CB 0.705 39.236 38.460 0.118 0.000 1.266 127 Y HN 0.546 nan 8.280 nan 0.000 0.527 128 D N 3.327 123.903 120.400 0.293 0.000 2.440 128 D HA 0.258 4.898 4.640 -0.001 0.000 0.239 128 D C -1.943 174.453 176.300 0.160 0.000 1.084 128 D CA -2.560 51.555 54.000 0.192 0.000 0.843 128 D CB 1.740 42.634 40.800 0.157 0.000 1.097 128 D HN 0.202 nan 8.370 nan 0.000 0.531 129 P HA -0.049 nan 4.420 nan 0.000 0.222 129 P C -0.185 177.146 177.300 0.050 0.000 1.147 129 P CA 0.740 63.883 63.100 0.070 0.000 0.790 129 P CB 0.302 32.029 31.700 0.046 0.000 0.780 130 N N 0.051 118.783 118.700 0.053 0.000 2.389 130 N HA 0.044 4.783 4.740 -0.001 0.000 0.260 130 N C -0.068 175.465 175.510 0.039 0.000 1.191 130 N CA -0.333 52.737 53.050 0.033 0.000 0.885 130 N CB -0.092 38.409 38.487 0.024 0.000 1.162 130 N HN -0.003 nan 8.380 nan 0.000 0.512 131 D N 2.243 122.686 120.400 0.071 0.000 2.581 131 D HA -0.050 4.589 4.640 -0.001 0.000 0.238 131 D C -1.124 175.201 176.300 0.041 0.000 1.145 131 D CA -0.875 53.182 54.000 0.095 0.000 0.866 131 D CB 1.066 41.978 40.800 0.187 0.000 1.151 131 D HN 0.220 nan 8.370 nan 0.000 0.500 132 P HA -0.111 nan 4.420 nan 0.000 0.230 132 P C 0.643 177.868 177.300 -0.125 0.000 1.158 132 P CA 0.852 63.894 63.100 -0.096 0.000 0.769 132 P CB 0.263 31.860 31.700 -0.171 0.000 0.807 133 H N -1.067 118.042 119.070 0.066 0.000 2.586 133 H HA 0.372 4.927 4.556 -0.001 0.000 0.273 133 H C 1.881 177.177 175.328 -0.054 0.000 0.997 133 H CA 0.271 56.374 56.048 0.092 0.000 1.177 133 H CB -0.014 29.878 29.762 0.216 0.000 1.471 133 H HN 0.055 nan 8.280 nan 0.000 0.538 134 A N 0.936 123.709 122.820 -0.078 0.000 1.948 134 A HA -0.225 4.095 4.320 -0.001 0.000 0.220 134 A C 2.564 179.848 177.584 -0.501 0.000 1.177 134 A CA 2.081 53.854 52.037 -0.441 0.000 0.636 134 A CB -0.557 18.320 19.000 -0.204 0.000 0.815 134 A HN 0.465 nan 8.150 nan 0.000 0.449 135 S N -0.454 115.113 115.700 -0.220 0.000 2.474 135 S HA -0.106 4.364 4.470 -0.001 0.000 0.235 135 S C 1.686 176.214 174.600 -0.121 0.000 0.997 135 S CA 0.976 59.086 58.200 -0.149 0.000 0.949 135 S CB -0.414 62.747 63.200 -0.064 0.000 0.766 135 S HN 0.646 nan 8.310 nan 0.000 0.517 136 R N 0.216 120.656 120.500 -0.101 0.000 2.299 136 R HA 0.202 4.541 4.340 -0.001 0.000 0.197 136 R C -0.249 176.115 176.300 0.106 0.000 0.971 136 R CA 0.424 56.552 56.100 0.047 0.000 1.030 136 R CB -0.082 30.323 30.300 0.174 0.000 0.932 136 R HN 0.789 nan 8.270 nan 0.000 0.477 137 Y N -3.906 116.393 120.300 -0.001 0.000 2.638 137 Y HA 0.387 4.936 4.550 -0.001 0.000 0.335 137 Y C -0.390 175.486 175.900 -0.040 0.000 1.155 137 Y CA -1.446 56.634 58.100 -0.034 0.000 1.046 137 Y CB 0.902 39.321 38.460 -0.069 0.000 1.303 137 Y HN -0.293 nan 8.280 nan 0.000 0.460 138 D N 0.411 120.897 120.400 0.144 0.000 2.470 138 D HA 0.182 4.822 4.640 -0.001 0.000 0.238 138 D C -0.394 175.955 176.300 0.082 0.000 1.054 138 D CA 0.780 54.810 54.000 0.051 0.000 0.896 138 D CB 1.595 42.401 40.800 0.010 0.000 1.118 138 D HN 0.261 nan 8.370 nan 0.000 0.497 139 V N 1.303 121.270 119.914 0.089 0.000 2.588 139 V HA 0.451 4.570 4.120 -0.001 0.000 0.304 139 V C -1.177 174.873 176.094 -0.073 0.000 1.042 139 V CA -0.777 61.512 62.300 -0.018 0.000 0.877 139 V CB 2.426 34.181 31.823 -0.114 0.000 0.996 139 V HN -0.089 nan 8.190 nan 0.000 0.425 140 D N 3.704 124.070 120.400 -0.056 0.000 2.354 140 D HA 0.391 5.030 4.640 -0.001 0.000 0.230 140 D C -0.716 175.560 176.300 -0.040 0.000 1.361 140 D CA -0.230 53.718 54.000 -0.087 0.000 0.992 140 D CB 0.972 41.772 40.800 -0.000 0.000 1.409 140 D HN 0.854 nan 8.370 nan 0.000 0.573 141 N N 1.261 119.941 118.700 -0.033 0.000 3.449 141 N HA 0.202 4.941 4.740 -0.001 0.000 0.312 141 N C -0.278 175.266 175.510 0.056 0.000 1.582 141 N CA -0.644 52.401 53.050 -0.009 0.000 0.850 141 N CB 0.540 38.992 38.487 -0.058 0.000 1.822 141 N HN -0.156 nan 8.380 nan 0.000 0.577 142 D N 0.228 120.660 120.400 0.052 0.000 2.149 142 D HA -0.106 4.533 4.640 -0.001 0.000 0.198 142 D C 0.587 176.918 176.300 0.051 0.000 0.990 142 D CA 1.431 55.472 54.000 0.069 0.000 0.839 142 D CB -0.260 40.571 40.800 0.052 0.000 0.948 142 D HN 0.391 nan 8.370 nan 0.000 0.460 143 D N -0.763 119.654 120.400 0.029 0.000 2.355 143 D HA -0.036 4.603 4.640 -0.001 0.000 0.218 143 D C 1.502 177.849 176.300 0.079 0.000 1.004 143 D CA 0.728 54.753 54.000 0.043 0.000 0.880 143 D CB 0.013 40.828 40.800 0.026 0.000 0.911 143 D HN 0.330 nan 8.370 nan 0.000 0.528 144 T N -2.263 112.300 114.554 0.014 0.000 3.105 144 T HA 0.185 4.534 4.350 -0.001 0.000 0.253 144 T C 0.641 175.397 174.700 0.092 0.000 1.047 144 T CA -0.307 61.778 62.100 -0.025 0.000 0.944 144 T CB 0.139 68.742 68.868 -0.442 0.000 1.016 144 T HN -0.250 nan 8.240 nan 0.000 0.544 145 V N 2.774 122.730 119.914 0.070 0.000 2.432 145 V HA 0.428 4.548 4.120 -0.001 0.000 0.271 145 V C 0.018 176.131 176.094 0.032 0.000 1.046 145 V CA -0.728 61.591 62.300 0.031 0.000 0.945 145 V CB 0.642 32.484 31.823 0.031 0.000 0.992 145 V HN 0.485 nan 8.190 nan 0.000 0.471 146 I N 5.174 125.730 120.570 -0.022 0.000 2.354 146 I HA 0.367 4.537 4.170 -0.001 0.000 0.286 146 I C 0.441 176.481 176.117 -0.129 0.000 1.007 146 I CA -0.292 60.969 61.300 -0.064 0.000 1.167 146 I CB 1.834 39.777 38.000 -0.095 0.000 1.320 146 I HN 0.652 nan 8.210 nan 0.000 0.458 147 T N 5.133 119.615 114.554 -0.119 0.000 2.875 147 T HA 0.732 5.081 4.350 -0.001 0.000 0.284 147 T C -0.420 174.159 174.700 -0.201 0.000 0.995 147 T CA -0.748 61.248 62.100 -0.173 0.000 1.060 147 T CB 1.504 70.290 68.868 -0.135 0.000 0.967 147 T HN 0.322 nan 8.240 nan 0.000 0.476 148 L N 1.899 122.954 121.223 -0.279 0.000 2.334 148 L HA 0.838 5.178 4.340 -0.001 0.000 0.276 148 L C -0.011 176.656 176.870 -0.339 0.000 1.014 148 L CA -1.213 53.402 54.840 -0.374 0.000 0.815 148 L CB 1.794 43.547 42.059 -0.509 0.000 1.268 148 L HN 1.001 nan 8.230 nan 0.000 0.428 149 A N 1.308 123.938 122.820 -0.318 0.000 2.549 149 A HA 0.599 4.919 4.320 -0.001 0.000 0.297 149 A C -1.631 175.946 177.584 -0.011 0.000 1.061 149 A CA -0.784 51.202 52.037 -0.084 0.000 0.690 149 A CB 1.511 20.531 19.000 0.033 0.000 1.287 149 A HN 0.722 nan 8.150 nan 0.000 0.402 150 D N 1.156 121.671 120.400 0.192 0.000 2.304 150 D HA 0.260 4.899 4.640 -0.001 0.000 0.250 150 D C -0.470 175.917 176.300 0.144 0.000 1.107 150 D CA -0.123 53.963 54.000 0.143 0.000 0.885 150 D CB 0.971 41.877 40.800 0.176 0.000 1.192 150 D HN 0.581 nan 8.370 nan 0.000 0.436 151 W N 3.156 124.275 121.300 -0.303 0.000 2.656 151 W HA 0.386 5.046 4.660 -0.001 0.000 0.327 151 W C -1.868 174.396 176.519 -0.424 0.000 1.041 151 W CA -0.926 56.309 57.345 -0.185 0.000 1.229 151 W CB 1.490 30.919 29.460 -0.050 0.000 1.397 151 W HN 0.317 nan 8.180 nan 0.000 0.479 152 Y N 3.100 122.997 120.300 -0.672 0.000 2.429 152 Y HA 0.226 4.776 4.550 -0.001 0.000 0.342 152 Y C 1.285 176.883 175.900 -0.503 0.000 1.004 152 Y CA -0.608 57.204 58.100 -0.479 0.000 1.075 152 Y CB 1.642 39.923 38.460 -0.298 0.000 1.214 152 Y HN 0.455 nan 8.280 nan 0.000 0.455 153 H N 0.085 118.983 119.070 -0.287 0.000 2.502 153 H HA 0.057 4.612 4.556 -0.001 0.000 0.283 153 H C -0.131 175.147 175.328 -0.083 0.000 1.015 153 H CA 0.553 56.392 56.048 -0.348 0.000 1.298 153 H CB 0.533 29.756 29.762 -0.899 0.000 1.411 153 H HN 0.472 nan 8.280 nan 0.000 0.556 154 T N 1.010 115.591 114.554 0.046 0.000 2.797 154 T HA 0.493 4.842 4.350 -0.001 0.000 0.279 154 T C 0.021 174.708 174.700 -0.022 0.000 0.991 154 T CA -0.706 61.417 62.100 0.037 0.000 0.979 154 T CB 1.799 70.676 68.868 0.015 0.000 0.943 154 T HN 0.271 nan 8.240 nan 0.000 0.444 155 A N 2.055 124.866 122.820 -0.015 0.000 2.466 155 A HA 0.567 4.886 4.320 -0.001 0.000 0.238 155 A C 1.775 179.318 177.584 -0.068 0.000 1.074 155 A CA 0.112 52.122 52.037 -0.045 0.000 0.774 155 A CB -0.315 18.680 19.000 -0.008 0.000 1.015 155 A HN 1.080 nan 8.150 nan 0.000 0.498 156 A N 1.233 124.008 122.820 -0.075 0.000 1.917 156 A HA -0.166 4.153 4.320 -0.001 0.000 0.219 156 A C 1.904 179.470 177.584 -0.030 0.000 1.182 156 A CA 2.009 54.023 52.037 -0.039 0.000 0.633 156 A CB -0.406 18.561 19.000 -0.055 0.000 0.819 156 A HN 0.823 nan 8.150 nan 0.000 0.448 157 K N -0.795 119.581 120.400 -0.041 0.000 2.418 157 K HA 0.205 4.524 4.320 -0.001 0.000 0.195 157 K C 1.227 177.798 176.600 -0.048 0.000 1.035 157 K CA 0.487 56.747 56.287 -0.045 0.000 1.003 157 K CB -0.043 32.426 32.500 -0.052 0.000 0.793 157 K HN 0.497 nan 8.250 nan 0.000 0.494 158 L N -0.487 120.709 121.223 -0.045 0.000 2.556 158 L HA 0.141 4.480 4.340 -0.001 0.000 0.226 158 L C 1.383 178.225 176.870 -0.047 0.000 1.089 158 L CA -0.222 54.598 54.840 -0.034 0.000 0.864 158 L CB 0.168 42.221 42.059 -0.009 0.000 1.067 158 L HN 0.062 nan 8.230 nan 0.000 0.477 159 G N 0.061 108.815 108.800 -0.078 0.000 2.606 159 G HA2 0.457 4.416 3.960 -0.001 0.000 0.262 159 G HA3 0.457 4.416 3.960 -0.001 0.000 0.262 159 G C -2.445 172.373 174.900 -0.136 0.000 1.394 159 G CA -0.745 44.295 45.100 -0.101 0.000 1.044 159 G HN -0.090 nan 8.290 nan 0.000 0.553 160 P HA 0.248 nan 4.420 nan 0.000 0.272 160 P C 0.767 177.893 177.300 -0.291 0.000 1.223 160 P CA -0.466 62.529 63.100 -0.176 0.000 0.784 160 P CB 1.101 32.718 31.700 -0.138 0.000 0.923 161 R N 0.844 121.147 120.500 -0.328 0.000 2.091 161 R HA -0.075 4.265 4.340 -0.001 0.000 0.238 161 R C -0.079 175.715 176.300 -0.845 0.000 1.136 161 R CA 1.425 57.175 56.100 -0.585 0.000 0.959 161 R CB -0.197 29.676 30.300 -0.711 0.000 0.856 161 R HN 0.398 nan 8.270 nan 0.000 0.437 162 F N 1.137 120.972 119.950 -0.191 0.000 2.564 162 F HA 0.414 4.940 4.527 -0.001 0.000 0.368 162 F C -2.125 173.468 175.800 -0.345 0.000 1.127 162 F CA -3.135 54.708 58.000 -0.261 0.000 1.170 162 F CB 1.096 40.085 39.000 -0.017 0.000 1.397 162 F HN -0.108 nan 8.300 nan 0.000 0.493 163 P HA 0.104 nan 4.420 nan 0.000 0.266 163 P C -0.044 177.230 177.300 -0.044 0.000 1.193 163 P CA -0.100 62.846 63.100 -0.257 0.000 0.770 163 P CB 0.867 32.335 31.700 -0.387 0.000 0.836 164 A N 2.488 125.318 122.820 0.017 0.000 3.202 164 A HA 0.562 4.882 4.320 -0.001 0.000 0.258 164 A C 0.776 178.521 177.584 0.269 0.000 1.572 164 A CA 0.343 52.399 52.037 0.031 0.000 1.241 164 A CB -1.406 17.585 19.000 -0.015 0.000 1.127 164 A HN 0.825 nan 8.150 nan 0.000 0.648 165 G N -0.745 108.381 108.800 0.544 0.000 2.662 165 G HA2 0.428 4.387 3.960 -0.001 0.000 0.686 165 G HA3 0.428 4.387 3.960 -0.001 0.000 0.686 165 G C -0.033 174.966 174.900 0.166 0.000 1.271 165 G CA -0.402 44.963 45.100 0.441 0.000 0.816 165 G HN 1.734 nan 8.290 nan 0.000 0.608 166 A N -0.288 122.444 122.820 -0.146 0.000 2.287 166 A HA 0.678 4.998 4.320 -0.001 0.000 0.273 166 A C 1.265 178.625 177.584 -0.373 0.000 1.091 166 A CA 0.677 52.357 52.037 -0.596 0.000 0.817 166 A CB 0.394 18.997 19.000 -0.663 0.000 1.069 166 A HN 0.711 nan 8.150 nan 0.000 0.492 167 D N -0.032 120.080 120.400 -0.479 0.000 2.149 167 D HA 0.160 4.799 4.640 -0.001 0.000 0.201 167 D C 0.653 176.782 176.300 -0.284 0.000 0.972 167 D CA 1.923 55.652 54.000 -0.451 0.000 0.835 167 D CB 0.143 40.387 40.800 -0.927 0.000 0.966 167 D HN 0.650 nan 8.370 nan 0.000 0.476 168 A N 0.037 122.745 122.820 -0.187 0.000 2.486 168 A HA 0.492 4.811 4.320 -0.001 0.000 0.300 168 A C -0.553 177.009 177.584 -0.036 0.000 1.048 168 A CA -0.575 51.428 52.037 -0.056 0.000 0.696 168 A CB 1.699 20.735 19.000 0.059 0.000 1.278 168 A HN -0.131 nan 8.150 nan 0.000 0.405 169 T N 2.639 117.167 114.554 -0.044 0.000 2.817 169 T HA 0.526 4.875 4.350 -0.001 0.000 0.293 169 T C -0.134 174.505 174.700 -0.102 0.000 0.964 169 T CA 0.092 62.142 62.100 -0.083 0.000 1.085 169 T CB 0.085 68.883 68.868 -0.116 0.000 0.921 169 T HN 0.417 nan 8.240 nan 0.000 0.502 170 L N 4.152 125.296 121.223 -0.132 0.000 2.307 170 L HA 0.611 4.950 4.340 -0.001 0.000 0.284 170 L C -0.331 176.438 176.870 -0.169 0.000 1.023 170 L CA -0.847 53.915 54.840 -0.129 0.000 0.810 170 L CB 1.218 43.198 42.059 -0.131 0.000 1.231 170 L HN 0.494 nan 8.230 nan 0.000 0.423 171 I N 2.692 123.193 120.570 -0.116 0.000 2.389 171 I HA 0.232 4.401 4.170 -0.001 0.000 0.288 171 I C 0.162 176.240 176.117 -0.065 0.000 0.999 171 I CA -0.517 60.728 61.300 -0.091 0.000 1.129 171 I CB 1.448 39.428 38.000 -0.034 0.000 1.288 171 I HN 0.710 nan 8.210 nan 0.000 0.444 172 N N 4.743 123.402 118.700 -0.068 0.000 2.708 172 N HA -0.247 4.493 4.740 -0.001 0.000 0.251 172 N C 0.974 176.447 175.510 -0.062 0.000 1.017 172 N CA 0.560 53.579 53.050 -0.051 0.000 0.742 172 N CB -0.554 37.920 38.487 -0.022 0.000 0.943 172 N HN 1.185 nan 8.380 nan 0.000 0.539 173 G N -1.003 107.741 108.800 -0.094 0.000 2.179 173 G HA2 -0.344 3.615 3.960 -0.001 0.000 0.260 173 G HA3 -0.344 3.615 3.960 -0.001 0.000 0.260 173 G C -0.081 174.726 174.900 -0.155 0.000 0.977 173 G CA 0.941 45.963 45.100 -0.131 0.000 0.641 173 G HN 0.484 nan 8.290 nan 0.000 0.533 174 K N -0.398 119.938 120.400 -0.107 0.000 2.385 174 K HA 0.731 5.050 4.320 -0.001 0.000 0.248 174 K C 0.104 176.667 176.600 -0.061 0.000 0.955 174 K CA -0.338 55.896 56.287 -0.088 0.000 0.816 174 K CB 2.433 34.906 32.500 -0.045 0.000 1.250 174 K HN 0.792 nan 8.250 nan 0.000 0.434 175 G N 0.973 109.749 108.800 -0.040 0.000 2.451 175 G HA2 0.352 4.311 3.960 -0.001 0.000 0.292 175 G HA3 0.352 4.311 3.960 -0.001 0.000 0.292 175 G C -1.726 173.184 174.900 0.017 0.000 1.427 175 G CA -0.920 44.173 45.100 -0.013 0.000 0.792 175 G HN 0.389 nan 8.290 nan 0.000 0.498 176 R N -0.442 120.070 120.500 0.021 0.000 2.589 176 R HA 0.751 5.090 4.340 -0.001 0.000 0.293 176 R C 0.066 176.382 176.300 0.028 0.000 0.963 176 R CA -0.341 55.782 56.100 0.038 0.000 0.905 176 R CB 2.016 32.335 30.300 0.033 0.000 1.144 176 R HN 0.797 nan 8.270 nan 0.000 0.459 177 A N 3.367 126.226 122.820 0.065 0.000 2.299 177 A HA 0.509 4.828 4.320 -0.001 0.000 0.332 177 A C -1.954 175.654 177.584 0.040 0.000 1.131 177 A CA -1.764 50.296 52.037 0.040 0.000 0.844 177 A CB 0.651 19.722 19.000 0.117 0.000 1.251 177 A HN 0.505 nan 8.150 nan 0.000 0.486 178 P HA -0.177 nan 4.420 nan 0.000 0.217 178 P C 1.481 178.816 177.300 0.057 0.000 1.148 178 P CA 2.160 65.271 63.100 0.018 0.000 0.828 178 P CB 0.059 31.757 31.700 -0.004 0.000 0.783 179 S N -2.536 113.226 115.700 0.104 0.000 2.474 179 S HA -0.062 4.408 4.470 -0.001 0.000 0.235 179 S C 0.637 175.311 174.600 0.124 0.000 0.997 179 S CA 0.712 58.994 58.200 0.138 0.000 0.949 179 S CB -0.499 62.837 63.200 0.227 0.000 0.766 179 S HN 0.080 nan 8.310 nan 0.000 0.517 180 D N 0.730 121.196 120.400 0.111 0.000 2.318 180 D HA 0.184 4.824 4.640 -0.001 0.000 0.233 180 D C 0.155 176.499 176.300 0.073 0.000 1.348 180 D CA -0.183 53.871 54.000 0.091 0.000 0.983 180 D CB 1.035 41.897 40.800 0.104 0.000 1.416 180 D HN 0.086 nan 8.370 nan 0.000 0.558 181 T N -0.782 113.807 114.554 0.058 0.000 3.219 181 T HA 0.098 4.447 4.350 -0.001 0.000 0.249 181 T C 1.182 175.916 174.700 0.057 0.000 1.099 181 T CA 0.387 62.517 62.100 0.050 0.000 0.988 181 T CB -0.110 68.781 68.868 0.038 0.000 0.999 181 T HN 0.226 nan 8.240 nan 0.000 0.550 182 S N -0.177 115.557 115.700 0.057 0.000 2.650 182 S HA 0.649 5.118 4.470 -0.001 0.000 0.240 182 S C 0.859 175.491 174.600 0.054 0.000 1.007 182 S CA -0.404 57.830 58.200 0.056 0.000 0.984 182 S CB -0.066 63.162 63.200 0.046 0.000 0.910 182 S HN 0.624 nan 8.310 nan 0.000 0.509 183 A N 1.828 124.684 122.820 0.059 0.000 2.466 183 A HA 0.309 4.628 4.320 -0.001 0.000 0.238 183 A C 0.384 177.998 177.584 0.049 0.000 1.074 183 A CA -0.218 51.851 52.037 0.054 0.000 0.774 183 A CB -0.066 18.972 19.000 0.063 0.000 1.015 183 A HN 0.646 nan 8.150 nan 0.000 0.498 184 E N 1.165 121.387 120.200 0.036 0.000 2.417 184 E HA 0.239 4.588 4.350 -0.001 0.000 0.261 184 E C -0.851 175.770 176.600 0.034 0.000 1.000 184 E CA -0.013 56.406 56.400 0.031 0.000 0.919 184 E CB 0.161 29.872 29.700 0.017 0.000 0.955 184 E HN 0.512 nan 8.360 nan 0.000 0.455 185 L N 3.139 124.392 121.223 0.050 0.000 2.357 185 L HA 0.233 4.572 4.340 -0.001 0.000 0.273 185 L C 0.543 177.435 176.870 0.037 0.000 1.080 185 L CA -0.769 54.108 54.840 0.061 0.000 0.803 185 L CB 1.626 43.757 42.059 0.121 0.000 1.174 185 L HN 0.482 nan 8.230 nan 0.000 0.443 186 S N 1.056 116.773 115.700 0.028 0.000 2.560 186 S HA 0.247 4.716 4.470 -0.001 0.000 0.284 186 S C -0.175 174.437 174.600 0.021 0.000 1.327 186 S CA -0.519 57.691 58.200 0.016 0.000 1.055 186 S CB 0.946 64.149 63.200 0.004 0.000 0.868 186 S HN 0.302 nan 8.310 nan 0.000 0.506 187 V N 4.630 124.552 119.914 0.012 0.000 2.487 187 V HA 0.432 4.552 4.120 -0.001 0.000 0.298 187 V C -0.282 175.821 176.094 0.014 0.000 1.028 187 V CA -0.523 61.782 62.300 0.008 0.000 0.860 187 V CB 1.407 33.232 31.823 0.004 0.000 0.991 187 V HN 0.721 nan 8.190 nan 0.000 0.427 188 I N 5.049 125.626 120.570 0.010 0.000 2.330 188 I HA 0.424 4.593 4.170 -0.001 0.000 0.289 188 I C 0.121 176.259 176.117 0.036 0.000 1.001 188 I CA -0.574 60.742 61.300 0.026 0.000 1.193 188 I CB 1.312 39.301 38.000 -0.019 0.000 1.345 188 I HN 0.486 nan 8.210 nan 0.000 0.461 189 K N 6.032 126.462 120.400 0.049 0.000 2.172 189 K HA 0.636 4.956 4.320 -0.001 0.000 0.276 189 K C -0.718 175.891 176.600 0.015 0.000 1.013 189 K CA -0.621 55.682 56.287 0.027 0.000 0.913 189 K CB 2.170 34.682 32.500 0.020 0.000 1.055 189 K HN 0.483 nan 8.250 nan 0.000 0.461 190 V N -1.110 118.764 119.914 -0.066 0.000 2.841 190 V HA 0.447 4.566 4.120 -0.001 0.000 0.310 190 V C -0.476 175.499 176.094 -0.198 0.000 1.090 190 V CA -0.876 61.331 62.300 -0.154 0.000 0.930 190 V CB 1.881 33.543 31.823 -0.269 0.000 1.014 190 V HN 0.667 nan 8.190 nan 0.000 0.425 191 T N 3.318 117.791 114.554 -0.135 0.000 2.743 191 T HA 0.336 4.685 4.350 -0.001 0.000 0.293 191 T C 0.026 174.673 174.700 -0.088 0.000 0.945 191 T CA -0.268 61.787 62.100 -0.075 0.000 1.030 191 T CB 0.823 69.673 68.868 -0.030 0.000 0.912 191 T HN 0.933 nan 8.240 nan 0.000 0.483 192 K N 1.836 122.241 120.400 0.008 0.000 2.524 192 K HA 0.195 4.514 4.320 -0.001 0.000 0.279 192 K C 1.374 178.021 176.600 0.078 0.000 0.993 192 K CA 1.319 57.686 56.287 0.133 0.000 1.030 192 K CB -0.218 32.466 32.500 0.307 0.000 0.891 192 K HN 0.911 nan 8.250 nan 0.000 0.488 193 G N 2.823 111.672 108.800 0.083 0.000 2.213 193 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.236 193 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.236 193 G C -0.305 174.614 174.900 0.031 0.000 0.991 193 G CA 0.148 45.282 45.100 0.057 0.000 0.629 193 G HN 0.572 nan 8.290 nan 0.000 0.517 194 K N 0.453 120.859 120.400 0.009 0.000 2.123 194 K HA 0.690 5.010 4.320 -0.001 0.000 0.259 194 K C 0.619 177.219 176.600 -0.001 0.000 0.960 194 K CA -0.736 55.548 56.287 -0.006 0.000 0.872 194 K CB 1.379 33.861 32.500 -0.031 0.000 1.079 194 K HN 0.242 nan 8.250 nan 0.000 0.440 198 F N 3.082 122.615 119.950 -0.694 0.000 2.420 198 F HA 0.442 4.969 4.527 -0.001 0.000 0.352 198 F C 0.948 176.296 175.800 -0.753 0.000 1.108 198 F CA -0.202 57.317 58.000 -0.801 0.000 1.162 198 F CB 1.087 39.366 39.000 -1.202 0.000 1.118 198 F HN 0.129 nan 8.300 nan 0.000 0.510 199 R N 3.831 124.175 120.500 -0.260 0.000 2.247 199 R HA 0.379 4.718 4.340 -0.001 0.000 0.329 199 R C -1.240 174.950 176.300 -0.182 0.000 1.014 199 R CA -0.923 55.045 56.100 -0.221 0.000 0.907 199 R CB 0.996 31.191 30.300 -0.174 0.000 1.146 199 R HN 0.434 nan 8.270 nan 0.000 0.499 200 L N 4.349 125.461 121.223 -0.184 0.000 2.278 200 L HA 0.283 4.622 4.340 -0.001 0.000 0.287 200 L C -0.828 175.903 176.870 -0.231 0.000 1.072 200 L CA -0.207 54.510 54.840 -0.206 0.000 0.819 200 L CB 1.424 43.364 42.059 -0.197 0.000 1.176 200 L HN 0.271 nan 8.230 nan 0.000 0.435 201 V N 4.088 123.836 119.914 -0.277 0.000 2.407 201 V HA 0.369 4.488 4.120 -0.001 0.000 0.291 201 V C 0.130 175.942 176.094 -0.471 0.000 1.018 201 V CA -0.622 61.448 62.300 -0.384 0.000 0.842 201 V CB 1.435 33.057 31.823 -0.336 0.000 0.996 201 V HN 0.790 nan 8.190 nan 0.000 0.426 202 S N 5.225 120.588 115.700 -0.561 0.000 2.400 202 S HA 0.414 4.883 4.470 -0.001 0.000 0.295 202 S C 0.562 174.590 174.600 -0.954 0.000 1.113 202 S CA -0.529 57.347 58.200 -0.540 0.000 1.064 202 S CB 0.031 63.032 63.200 -0.331 0.000 0.990 202 S HN 0.622 nan 8.310 nan 0.000 0.502 203 L N 4.114 124.892 121.223 -0.741 0.000 2.653 203 L HA 0.260 4.599 4.340 -0.001 0.000 0.232 203 L C 1.244 177.991 176.870 -0.205 0.000 1.169 203 L CA -0.310 54.045 54.840 -0.808 0.000 0.951 203 L CB -0.254 41.600 42.059 -0.342 0.000 1.181 203 L HN 0.545 nan 8.230 nan 0.000 0.460 204 S N -1.192 114.438 115.700 -0.117 0.000 2.579 204 S HA 0.043 4.512 4.470 -0.001 0.000 0.275 204 S C 0.966 175.731 174.600 0.276 0.000 1.345 204 S CA -0.505 57.800 58.200 0.174 0.000 1.031 204 S CB 1.234 64.611 63.200 0.296 0.000 0.892 204 S HN 0.353 nan 8.310 nan 0.000 0.529 205 c N 2.688 121.424 118.600 0.226 0.000 3.070 205 c HA 0.358 4.928 4.570 -0.001 0.000 0.280 205 c C 1.317 175.429 174.090 0.036 0.000 1.264 205 c CA -0.035 56.288 56.329 -0.010 0.000 1.690 205 c CB -0.822 41.455 42.510 -0.389 0.000 2.049 205 c HN 0.989 nan 8.230 nan 0.000 0.636 206 D N -0.559 119.959 120.400 0.197 0.000 2.714 206 D HA 0.148 4.787 4.640 -0.001 0.000 0.136 206 D C -2.432 173.932 176.300 0.107 0.000 1.483 206 D CA 0.466 54.617 54.000 0.251 0.000 1.530 206 D CB -0.579 40.546 40.800 0.542 0.000 1.795 206 D HN 0.060 nan 8.370 nan 0.000 0.226 207 P HA 0.199 nan 4.420 nan 0.000 0.275 207 P C -0.573 176.311 177.300 -0.692 0.000 1.228 207 P CA -0.107 62.636 63.100 -0.596 0.000 0.786 207 P CB 0.624 31.662 31.700 -1.104 0.000 0.927 208 N N 1.021 119.339 118.700 -0.637 0.000 2.408 208 N HA 0.443 5.182 4.740 -0.001 0.000 0.260 208 N C -1.164 173.714 175.510 -1.054 0.000 1.242 208 N CA -0.282 52.350 53.050 -0.696 0.000 0.959 208 N CB 0.222 38.307 38.487 -0.670 0.000 1.201 208 N HN 0.220 nan 8.380 nan 0.000 0.511 209 F N -1.710 118.067 119.950 -0.288 0.000 2.556 209 F HA 0.380 4.906 4.527 -0.001 0.000 0.314 209 F C -0.292 175.408 175.800 -0.166 0.000 1.106 209 F CA -0.908 56.975 58.000 -0.195 0.000 0.911 209 F CB 2.416 41.346 39.000 -0.117 0.000 1.190 209 F HN 0.303 nan 8.300 nan 0.000 0.448 210 T N 3.794 118.377 114.554 0.048 0.000 2.762 210 T HA 0.272 4.622 4.350 -0.001 0.000 0.303 210 T C -0.912 173.845 174.700 0.095 0.000 0.977 210 T CA -0.191 61.920 62.100 0.019 0.000 0.961 210 T CB -0.213 68.636 68.868 -0.031 0.000 0.944 210 T HN 0.378 nan 8.240 nan 0.000 0.481 211 F N 4.079 123.987 119.950 -0.071 0.000 2.408 211 F HA 0.599 5.125 4.527 -0.001 0.000 0.344 211 F C 0.350 176.059 175.800 -0.153 0.000 1.112 211 F CA -0.275 57.668 58.000 -0.094 0.000 1.096 211 F CB 0.783 39.714 39.000 -0.116 0.000 1.129 211 F HN 0.555 nan 8.300 nan 0.000 0.486 212 S N 5.773 121.016 115.700 -0.761 0.000 2.570 212 S HA 0.743 5.213 4.470 -0.001 0.000 0.270 212 S C -1.321 172.856 174.600 -0.704 0.000 1.149 212 S CA -0.919 56.931 58.200 -0.582 0.000 0.837 212 S CB 1.566 64.593 63.200 -0.288 0.000 1.124 212 S HN 0.588 nan 8.310 nan 0.000 0.465 213 I N 1.668 121.983 120.570 -0.426 0.000 2.447 213 I HA 0.337 4.507 4.170 -0.001 0.000 0.287 213 I C -1.069 175.009 176.117 -0.065 0.000 1.023 213 I CA -0.677 60.464 61.300 -0.266 0.000 1.083 213 I CB 1.784 39.635 38.000 -0.248 0.000 1.245 213 I HN 0.591 nan 8.210 nan 0.000 0.434 214 D N 4.995 125.412 120.400 0.029 0.000 2.493 214 D HA 0.189 4.829 4.640 -0.001 0.000 0.240 214 D C 1.224 177.660 176.300 0.227 0.000 1.142 214 D CA 1.372 55.446 54.000 0.124 0.000 0.872 214 D CB 0.852 41.771 40.800 0.199 0.000 1.173 214 D HN 0.908 nan 8.370 nan 0.000 0.467 215 G N 1.851 110.703 108.800 0.087 0.000 2.175 215 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.265 215 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.265 215 G C -0.002 174.702 174.900 -0.326 0.000 0.979 215 G CA 0.524 45.586 45.100 -0.065 0.000 0.663 215 G HN 0.681 nan 8.290 nan 0.000 0.533 216 H N -0.297 118.700 119.070 -0.121 0.000 2.717 216 H HA 0.611 5.166 4.556 -0.001 0.000 0.366 216 H C 0.050 175.328 175.328 -0.082 0.000 1.132 216 H CA -0.823 55.163 56.048 -0.104 0.000 1.180 216 H CB 1.169 30.866 29.762 -0.108 0.000 1.678 216 H HN 0.146 nan 8.280 nan 0.000 0.537 217 N N 1.486 120.217 118.700 0.051 0.000 2.476 217 N HA 0.515 5.255 4.740 -0.001 0.000 0.276 217 N C -0.963 174.570 175.510 0.038 0.000 1.204 217 N CA -0.558 52.499 53.050 0.011 0.000 0.974 217 N CB 1.417 39.904 38.487 0.000 0.000 1.204 217 N HN 0.379 nan 8.380 nan 0.000 0.543 218 L N -0.070 121.147 121.223 -0.010 0.000 2.401 218 L HA 0.479 4.819 4.340 -0.001 0.000 0.266 218 L C -0.418 176.486 176.870 0.057 0.000 0.991 218 L CA -0.806 54.048 54.840 0.022 0.000 0.818 218 L CB 2.103 44.000 42.059 -0.269 0.000 1.321 218 L HN 0.259 nan 8.230 nan 0.000 0.413 219 T N 3.177 117.817 114.554 0.144 0.000 2.801 219 T HA 0.512 4.861 4.350 -0.001 0.000 0.306 219 T C 0.171 174.937 174.700 0.109 0.000 1.020 219 T CA -0.280 61.878 62.100 0.097 0.000 0.948 219 T CB 0.335 69.254 68.868 0.085 0.000 0.962 219 T HN 0.286 nan 8.240 nan 0.000 0.465 220 I N 4.597 125.207 120.570 0.068 0.000 2.533 220 I HA 0.144 4.313 4.170 -0.001 0.000 0.284 220 I C 1.342 177.465 176.117 0.010 0.000 1.109 220 I CA 0.225 61.568 61.300 0.071 0.000 1.412 220 I CB 0.574 38.593 38.000 0.031 0.000 1.396 220 I HN 0.716 nan 8.210 nan 0.000 0.543 221 I N 1.644 122.180 120.570 -0.056 0.000 4.526 221 I HA 0.438 4.607 4.170 -0.001 0.000 0.330 221 I C 0.381 176.449 176.117 -0.081 0.000 1.323 221 I CA -0.047 61.084 61.300 -0.282 0.000 1.218 221 I CB 0.532 38.086 38.000 -0.743 0.000 1.233 221 I HN 0.511 nan 8.210 nan 0.000 0.430 222 E N 1.492 121.701 120.200 0.014 0.000 2.331 222 E HA 0.592 4.941 4.350 -0.001 0.000 0.275 222 E C -1.744 174.877 176.600 0.035 0.000 0.895 222 E CA -0.653 55.761 56.400 0.024 0.000 0.753 222 E CB 3.602 33.275 29.700 -0.045 0.000 1.216 222 E HN 0.016 nan 8.360 nan 0.000 0.434 223 V N 3.696 123.580 119.914 -0.049 0.000 2.447 223 V HA 0.171 4.291 4.120 -0.001 0.000 0.292 223 V C -0.866 175.051 176.094 -0.296 0.000 1.021 223 V CA -0.807 61.380 62.300 -0.188 0.000 0.850 223 V CB 1.473 33.284 31.823 -0.020 0.000 1.005 223 V HN 0.862 nan 8.190 nan 0.000 0.426 224 D N 4.360 124.490 120.400 -0.451 0.000 2.720 224 D HA -0.228 4.411 4.640 -0.001 0.000 0.229 224 D C 1.169 177.220 176.300 -0.415 0.000 1.198 224 D CA 1.734 55.488 54.000 -0.410 0.000 0.639 224 D CB -0.809 39.802 40.800 -0.314 0.000 1.003 224 D HN 1.385 nan 8.370 nan 0.000 0.411 225 S N -3.196 112.218 115.700 -0.477 0.000 2.596 225 S HA -0.274 4.196 4.470 -0.001 0.000 0.260 225 S C 0.340 174.801 174.600 -0.231 0.000 1.282 225 S CA 1.319 59.206 58.200 -0.522 0.000 1.357 225 S CB -1.494 61.211 63.200 -0.825 0.000 1.674 225 S HN 0.939 nan 8.310 nan 0.000 0.641 226 S N 2.009 117.625 115.700 -0.140 0.000 2.442 226 S HA 0.632 5.101 4.470 -0.001 0.000 0.297 226 S C -0.250 174.359 174.600 0.016 0.000 1.131 226 S CA -0.511 57.669 58.200 -0.033 0.000 1.092 226 S CB 0.426 63.637 63.200 0.019 0.000 0.998 226 S HN 0.455 nan 8.310 nan 0.000 0.478 227 N N 3.325 122.060 118.700 0.058 0.000 2.447 227 N HA 0.101 4.840 4.740 -0.001 0.000 0.263 227 N C -0.009 175.606 175.510 0.175 0.000 1.226 227 N CA 0.231 53.371 53.050 0.150 0.000 0.906 227 N CB 0.963 39.518 38.487 0.113 0.000 1.060 227 N HN 0.727 nan 8.380 nan 0.000 0.468 228 S N 1.376 117.226 115.700 0.249 0.000 2.681 228 S HA 0.364 4.833 4.470 -0.001 0.000 0.299 228 S C -0.061 174.715 174.600 0.294 0.000 1.113 228 S CA -0.985 57.346 58.200 0.219 0.000 1.013 228 S CB 1.640 64.936 63.200 0.160 0.000 1.076 228 S HN 0.456 nan 8.310 nan 0.000 0.534 229 Q N 1.718 121.653 119.800 0.225 0.000 2.395 229 Q HA 0.217 4.557 4.340 -0.001 0.000 0.271 229 Q C -2.194 173.918 176.000 0.185 0.000 1.026 229 Q CA -1.426 54.508 55.803 0.218 0.000 0.900 229 Q CB -0.098 28.750 28.738 0.184 0.000 1.266 229 Q HN 0.495 nan 8.270 nan 0.000 0.430 230 P HA -0.035 nan 4.420 nan 0.000 0.265 230 P C -1.145 176.203 177.300 0.080 0.000 1.222 230 P CA 0.146 63.305 63.100 0.099 0.000 0.767 230 P CB 0.290 32.054 31.700 0.108 0.000 0.801 231 L N 3.467 124.724 121.223 0.056 0.000 2.298 231 L HA 0.390 4.729 4.340 -0.001 0.000 0.284 231 L C 0.096 176.977 176.870 0.019 0.000 1.013 231 L CA -0.422 54.441 54.840 0.038 0.000 0.824 231 L CB 1.637 43.710 42.059 0.023 0.000 1.221 231 L HN 0.197 nan 8.230 nan 0.000 0.418 232 S N 4.653 120.365 115.700 0.019 0.000 2.474 232 S HA 0.652 5.121 4.470 -0.001 0.000 0.276 232 S C -0.388 174.202 174.600 -0.016 0.000 1.227 232 S CA -0.263 57.943 58.200 0.009 0.000 1.050 232 S CB 0.005 63.216 63.200 0.018 0.000 0.939 232 S HN 0.700 nan 8.310 nan 0.000 0.490 233 V N 2.566 122.457 119.914 -0.039 0.000 3.130 233 V HA 0.707 4.826 4.120 -0.001 0.000 0.310 233 V C -0.254 175.792 176.094 -0.080 0.000 1.158 233 V CA -0.776 61.483 62.300 -0.069 0.000 1.029 233 V CB 2.244 34.000 31.823 -0.111 0.000 1.057 233 V HN 0.760 nan 8.190 nan 0.000 0.436 234 D N 0.139 120.490 120.400 -0.082 0.000 2.469 234 D HA 0.361 5.000 4.640 -0.001 0.000 0.213 234 D C 0.344 176.576 176.300 -0.113 0.000 1.135 234 D CA 0.404 54.350 54.000 -0.090 0.000 0.834 234 D CB 0.843 41.605 40.800 -0.065 0.000 1.009 234 D HN 0.745 nan 8.370 nan 0.000 0.507 235 S N -0.554 115.076 115.700 -0.116 0.000 2.547 235 S HA 0.657 5.126 4.470 -0.001 0.000 0.270 235 S C -2.056 172.470 174.600 -0.124 0.000 1.150 235 S CA -0.824 57.309 58.200 -0.111 0.000 0.850 235 S CB 0.904 64.053 63.200 -0.085 0.000 1.118 235 S HN 0.140 nan 8.310 nan 0.000 0.461 236 I N 3.193 123.705 120.570 -0.095 0.000 2.468 236 I HA 0.357 4.527 4.170 -0.001 0.000 0.284 236 I C -0.261 175.797 176.117 -0.099 0.000 1.038 236 I CA -0.399 60.801 61.300 -0.166 0.000 1.083 236 I CB 1.953 39.788 38.000 -0.275 0.000 1.223 236 I HN 0.616 nan 8.210 nan 0.000 0.443 237 Q N 6.915 126.637 119.800 -0.129 0.000 2.307 237 Q HA 0.461 4.800 4.340 -0.001 0.000 0.259 237 Q C -1.142 174.727 176.000 -0.218 0.000 0.998 237 Q CA -0.140 55.544 55.803 -0.199 0.000 0.923 237 Q CB 1.378 29.976 28.738 -0.233 0.000 1.196 237 Q HN 0.655 nan 8.270 nan 0.000 0.416 238 I N 4.567 125.008 120.570 -0.216 0.000 2.406 238 I HA 0.377 4.546 4.170 -0.001 0.000 0.290 238 I C -1.284 174.687 176.117 -0.243 0.000 0.999 238 I CA -0.864 60.405 61.300 -0.052 0.000 1.124 238 I CB 0.709 38.761 38.000 0.086 0.000 1.289 238 I HN 0.577 nan 8.210 nan 0.000 0.441 239 F N 5.563 125.526 119.950 0.021 0.000 2.378 239 F HA 0.559 5.085 4.527 -0.001 0.000 0.325 239 F C 1.087 176.831 175.800 -0.092 0.000 1.097 239 F CA -0.421 57.558 58.000 -0.035 0.000 1.079 239 F CB 0.854 39.844 39.000 -0.016 0.000 1.240 239 F HN 0.487 nan 8.300 nan 0.000 0.519 240 A N 1.595 124.468 122.820 0.088 0.000 2.584 240 A HA 0.336 4.655 4.320 -0.001 0.000 0.239 240 A C 1.019 178.465 177.584 -0.229 0.000 1.043 240 A CA 0.517 52.528 52.037 -0.043 0.000 0.756 240 A CB -1.039 18.002 19.000 0.069 0.000 0.963 240 A HN 1.914 nan 8.150 nan 0.000 0.511 241 A N 1.366 123.885 122.820 -0.501 0.000 3.601 241 A HA -0.197 4.122 4.320 -0.001 0.000 0.266 241 A C 0.633 177.877 177.584 -0.567 0.000 1.077 241 A CA 1.653 53.286 52.037 -0.674 0.000 1.228 241 A CB -2.391 16.049 19.000 -0.934 0.000 1.099 241 A HN 0.976 nan 8.150 nan 0.000 0.916 242 Q N -0.965 118.601 119.800 -0.389 0.000 2.382 242 Q HA 0.610 4.949 4.340 -0.001 0.000 0.229 242 Q C 0.013 175.739 176.000 -0.456 0.000 1.006 242 Q CA -0.060 55.532 55.803 -0.350 0.000 0.916 242 Q CB 0.415 29.035 28.738 -0.198 0.000 1.235 242 Q HN 0.525 nan 8.270 nan 0.000 0.512 243 R N 0.325 120.510 120.500 -0.525 0.000 2.725 243 R HA 0.527 4.866 4.340 -0.001 0.000 0.277 243 R C -1.670 174.239 176.300 -0.652 0.000 0.987 243 R CA -0.525 55.288 56.100 -0.480 0.000 0.901 243 R CB 1.315 31.365 30.300 -0.417 0.000 1.207 243 R HN 0.473 nan 8.270 nan 0.000 0.463 244 Y N -0.661 119.539 120.300 -0.168 0.000 2.457 244 Y HA 0.473 5.023 4.550 -0.001 0.000 0.343 244 Y C -0.270 175.561 175.900 -0.115 0.000 0.994 244 Y CA -0.720 57.319 58.100 -0.102 0.000 1.031 244 Y CB 2.717 41.160 38.460 -0.029 0.000 1.246 244 Y HN 0.454 nan 8.280 nan 0.000 0.449 245 S N 3.964 119.682 115.700 0.031 0.000 2.480 245 S HA 0.669 5.138 4.470 -0.001 0.000 0.286 245 S C -1.075 173.541 174.600 0.028 0.000 1.180 245 S CA -0.606 57.539 58.200 -0.090 0.000 1.075 245 S CB -0.034 63.065 63.200 -0.169 0.000 0.996 245 S HN 0.460 nan 8.310 nan 0.000 0.487 246 F N 0.413 120.343 119.950 -0.033 0.000 2.576 246 F HA 0.802 5.328 4.527 -0.001 0.000 0.313 246 F C -0.985 174.815 175.800 0.000 0.000 1.078 246 F CA -1.400 56.591 58.000 -0.015 0.000 0.921 246 F CB 0.553 39.558 39.000 0.008 0.000 1.232 246 F HN 0.185 nan 8.300 nan 0.000 0.459 247 V N 4.105 124.129 119.914 0.184 0.000 2.432 247 V HA 0.365 4.484 4.120 -0.001 0.000 0.275 247 V C -0.305 175.983 176.094 0.323 0.000 1.043 247 V CA -0.591 61.782 62.300 0.121 0.000 0.925 247 V CB 1.258 33.140 31.823 0.098 0.000 0.985 247 V HN 0.858 nan 8.190 nan 0.000 0.466 248 L N 5.054 126.473 121.223 0.328 0.000 2.287 248 L HA 0.580 4.919 4.340 -0.001 0.000 0.287 248 L C 0.008 177.003 176.870 0.207 0.000 1.022 248 L CA -0.305 54.754 54.840 0.365 0.000 0.814 248 L CB 1.284 43.682 42.059 0.565 0.000 1.217 248 L HN 0.605 nan 8.230 nan 0.000 0.420 249 N N 4.181 122.995 118.700 0.190 0.000 2.408 249 N HA 0.271 5.011 4.740 -0.001 0.000 0.257 249 N C -0.307 175.314 175.510 0.186 0.000 1.064 249 N CA -0.139 52.997 53.050 0.143 0.000 0.952 249 N CB 1.711 40.267 38.487 0.115 0.000 1.093 249 N HN 0.700 nan 8.380 nan 0.000 0.490 250 A N 3.958 126.848 122.820 0.116 0.000 3.037 250 A HA 0.072 4.391 4.320 -0.001 0.000 0.272 250 A C 0.665 178.411 177.584 0.271 0.000 1.723 250 A CA -0.517 51.584 52.037 0.106 0.000 1.413 250 A CB -0.905 17.952 19.000 -0.239 0.000 1.112 250 A HN 0.762 nan 8.150 nan 0.000 0.606 251 N N -0.418 118.452 118.700 0.283 0.000 2.187 251 N HA 0.037 4.777 4.740 -0.001 0.000 0.212 251 N C 0.090 175.668 175.510 0.113 0.000 1.152 251 N CA -0.119 53.036 53.050 0.175 0.000 0.872 251 N CB 0.154 38.694 38.487 0.088 0.000 1.025 251 N HN 0.409 nan 8.380 nan 0.000 0.514 252 Q N 0.737 120.608 119.800 0.118 0.000 2.171 252 Q HA 0.564 4.904 4.340 -0.001 0.000 0.217 252 Q C -0.094 175.811 176.000 -0.158 0.000 0.995 252 Q CA -0.640 55.093 55.803 -0.117 0.000 0.979 252 Q CB 0.521 29.011 28.738 -0.415 0.000 1.152 252 Q HN 0.290 nan 8.270 nan 0.000 0.525 253 A N 0.380 123.120 122.820 -0.133 0.000 2.498 253 A HA 0.199 4.518 4.320 -0.001 0.000 0.239 253 A C -0.007 177.375 177.584 -0.336 0.000 1.068 253 A CA -0.400 51.555 52.037 -0.138 0.000 0.766 253 A CB 0.036 18.991 19.000 -0.076 0.000 1.003 253 A HN 0.418 nan 8.150 nan 0.000 0.497 254 V N 4.056 123.847 119.914 -0.205 0.000 2.506 254 V HA 0.120 4.239 4.120 -0.001 0.000 0.296 254 V C 0.349 176.339 176.094 -0.174 0.000 1.004 254 V CA 1.231 63.447 62.300 -0.141 0.000 1.150 254 V CB -0.721 31.128 31.823 0.043 0.000 0.911 254 V HN 1.042 nan 8.190 nan 0.000 0.476 255 D N 3.344 123.632 120.400 -0.186 0.000 2.769 255 D HA 0.208 4.847 4.640 -0.001 0.000 0.309 255 D C -1.283 174.896 176.300 -0.202 0.000 1.315 255 D CA -0.669 53.169 54.000 -0.271 0.000 0.780 255 D CB 1.310 41.779 40.800 -0.552 0.000 1.312 255 D HN 0.383 nan 8.370 nan 0.000 0.437 256 N N 0.713 119.173 118.700 -0.401 0.000 2.419 256 N HA 0.374 5.113 4.740 -0.001 0.000 0.277 256 N C -1.104 174.054 175.510 -0.587 0.000 1.006 256 N CA -0.070 52.783 53.050 -0.329 0.000 0.923 256 N CB 1.025 39.308 38.487 -0.340 0.000 1.140 256 N HN 0.241 nan 8.380 nan 0.000 0.488 257 Y N -0.087 120.119 120.300 -0.156 0.000 2.425 257 Y HA 0.301 4.850 4.550 -0.001 0.000 0.344 257 Y C -0.211 175.595 175.900 -0.157 0.000 0.969 257 Y CA -0.929 57.097 58.100 -0.124 0.000 1.052 257 Y CB 1.203 39.694 38.460 0.053 0.000 1.215 257 Y HN 0.413 nan 8.280 nan 0.000 0.451 258 W N 4.536 125.843 121.300 0.011 0.000 2.308 258 W HA 0.370 5.030 4.660 -0.001 0.000 0.324 258 W C -0.422 176.001 176.519 -0.161 0.000 1.387 258 W CA -0.165 57.118 57.345 -0.104 0.000 1.250 258 W CB 0.342 29.684 29.460 -0.197 0.000 1.257 258 W HN 0.269 nan 8.180 nan 0.000 0.554 259 I N 5.079 125.720 120.570 0.118 0.000 2.342 259 I HA 0.314 4.483 4.170 -0.001 0.000 0.291 259 I C 0.273 176.288 176.117 -0.170 0.000 1.010 259 I CA -0.576 60.645 61.300 -0.131 0.000 1.308 259 I CB 0.644 38.580 38.000 -0.108 0.000 1.400 259 I HN 0.307 nan 8.210 nan 0.000 0.488 260 R N 5.211 125.479 120.500 -0.387 0.000 2.599 260 R HA 0.777 5.116 4.340 -0.001 0.000 0.295 260 R C -0.911 175.292 176.300 -0.162 0.000 0.963 260 R CA -0.825 55.133 56.100 -0.237 0.000 0.883 260 R CB 2.151 32.201 30.300 -0.417 0.000 1.171 260 R HN 0.707 nan 8.270 nan 0.000 0.450 261 A N 2.987 125.860 122.820 0.088 0.000 2.815 261 A HA 0.239 4.558 4.320 -0.001 0.000 0.318 261 A C -1.025 176.674 177.584 0.191 0.000 1.186 261 A CA -0.707 51.406 52.037 0.125 0.000 0.754 261 A CB 0.455 19.469 19.000 0.024 0.000 1.151 261 A HN 0.580 nan 8.150 nan 0.000 0.452 262 N N 3.529 122.335 118.700 0.177 0.000 2.408 262 N HA 0.419 5.158 4.740 -0.001 0.000 0.257 262 N C -2.588 172.922 175.510 -0.001 0.000 1.064 262 N CA -1.623 51.427 53.050 -0.001 0.000 0.952 262 N CB 1.416 39.873 38.487 -0.050 0.000 1.093 262 N HN 0.349 nan 8.380 nan 0.000 0.490 263 P HA 0.112 nan 4.420 nan 0.000 0.274 263 P C 0.214 177.278 177.300 -0.393 0.000 1.237 263 P CA -0.250 62.616 63.100 -0.390 0.000 0.793 263 P CB 0.819 32.289 31.700 -0.383 0.000 0.977 264 N N 0.932 119.324 118.700 -0.515 0.000 2.409 264 N HA -0.059 4.681 4.740 -0.001 0.000 0.179 264 N C 0.281 175.736 175.510 -0.091 0.000 1.032 264 N CA 0.784 53.676 53.050 -0.263 0.000 0.898 264 N CB -0.522 37.867 38.487 -0.164 0.000 0.971 264 N HN 0.503 nan 8.380 nan 0.000 0.441 265 F N -3.966 115.897 119.950 -0.146 0.000 2.711 265 F HA 0.764 5.291 4.527 -0.001 0.000 0.313 265 F C 0.556 176.294 175.800 -0.104 0.000 1.141 265 F CA -0.517 57.421 58.000 -0.105 0.000 0.941 265 F CB 1.183 40.140 39.000 -0.072 0.000 1.349 265 F HN 0.155 nan 8.300 nan 0.000 0.464 266 G N 1.214 110.116 108.800 0.170 0.000 2.516 266 G HA2 -0.136 3.823 3.960 -0.001 0.000 0.220 266 G HA3 -0.136 3.823 3.960 -0.001 0.000 0.220 266 G C -1.427 173.448 174.900 -0.041 0.000 1.165 266 G CA -0.508 44.621 45.100 0.048 0.000 1.013 266 G HN 0.919 nan 8.290 nan 0.000 0.590 267 N N 1.877 120.520 118.700 -0.095 0.000 2.555 267 N HA 0.395 5.134 4.740 -0.001 0.000 0.244 267 N C 0.674 176.079 175.510 -0.176 0.000 1.114 267 N CA 0.661 53.639 53.050 -0.120 0.000 0.963 267 N CB 1.002 39.416 38.487 -0.122 0.000 1.276 267 N HN 1.102 nan 8.380 nan 0.000 0.510 268 V N -0.511 119.293 119.914 -0.184 0.000 3.036 268 V HA 0.931 5.050 4.120 -0.001 0.000 0.308 268 V C 1.009 176.879 176.094 -0.373 0.000 1.070 268 V CA 0.053 62.193 62.300 -0.267 0.000 1.056 268 V CB 0.769 32.473 31.823 -0.198 0.000 1.084 268 V HN 0.754 nan 8.190 nan 0.000 0.471 269 G N 2.324 110.740 108.800 -0.640 0.000 2.527 269 G HA2 -0.150 3.809 3.960 -0.001 0.000 0.227 269 G HA3 -0.150 3.809 3.960 -0.001 0.000 0.227 269 G C -0.617 173.529 174.900 -1.258 0.000 1.291 269 G CA 0.282 44.868 45.100 -0.856 0.000 0.904 269 G HN 1.462 nan 8.290 nan 0.000 0.577 270 F N 0.400 120.247 119.950 -0.171 0.000 2.901 270 F HA 0.339 4.866 4.527 -0.001 0.000 0.329 270 F C 0.561 176.219 175.800 -0.237 0.000 1.185 270 F CA -0.431 57.417 58.000 -0.255 0.000 1.114 270 F CB 0.205 38.986 39.000 -0.364 0.000 1.199 270 F HN 0.473 nan 8.300 nan 0.000 0.513 271 N N 1.723 120.382 118.700 -0.067 0.000 2.440 271 N HA 0.296 5.036 4.740 -0.001 0.000 0.265 271 N C 1.222 176.701 175.510 -0.052 0.000 1.239 271 N CA 1.595 54.614 53.050 -0.051 0.000 0.909 271 N CB 0.714 39.171 38.487 -0.049 0.000 1.066 271 N HN 0.543 nan 8.380 nan 0.000 0.474 272 G N 2.386 111.165 108.800 -0.036 0.000 2.160 272 G HA2 -0.161 3.798 3.960 -0.001 0.000 0.251 272 G HA3 -0.161 3.798 3.960 -0.001 0.000 0.251 272 G C 0.862 175.745 174.900 -0.029 0.000 1.008 272 G CA 0.546 45.638 45.100 -0.013 0.000 0.724 272 G HN 1.740 nan 8.290 nan 0.000 0.514 273 G N -0.797 107.929 108.800 -0.123 0.000 2.143 273 G HA2 -0.141 3.818 3.960 -0.001 0.000 0.248 273 G HA3 -0.141 3.818 3.960 -0.001 0.000 0.248 273 G C 0.689 175.521 174.900 -0.114 0.000 0.991 273 G CA 0.708 45.670 45.100 -0.230 0.000 0.689 273 G HN 2.298 nan 8.290 nan 0.000 0.522 274 I N -3.266 117.255 120.570 -0.082 0.000 2.993 274 I HA 0.408 4.577 4.170 -0.001 0.000 0.286 274 I C 0.951 177.038 176.117 -0.050 0.000 1.215 274 I CA 0.627 61.887 61.300 -0.068 0.000 1.393 274 I CB 0.072 38.014 38.000 -0.096 0.000 1.371 274 I HN 0.252 nan 8.210 nan 0.000 0.602 275 N N 1.468 120.138 118.700 -0.050 0.000 2.725 275 N HA -0.185 4.555 4.740 -0.001 0.000 0.249 275 N C -1.006 174.561 175.510 0.096 0.000 1.103 275 N CA 0.840 53.882 53.050 -0.014 0.000 0.707 275 N CB -0.919 37.483 38.487 -0.143 0.000 1.043 275 N HN 0.734 nan 8.380 nan 0.000 0.553 276 S N -0.993 114.731 115.700 0.040 0.000 2.569 276 S HA 0.921 5.391 4.470 -0.001 0.000 0.280 276 S C -0.346 174.325 174.600 0.119 0.000 1.111 276 S CA -0.239 57.990 58.200 0.048 0.000 0.887 276 S CB 2.563 65.677 63.200 -0.144 0.000 1.095 276 S HN 0.422 nan 8.310 nan 0.000 0.476 277 A N 1.132 124.060 122.820 0.179 0.000 2.524 277 A HA 0.913 5.232 4.320 -0.001 0.000 0.289 277 A C -1.711 175.998 177.584 0.208 0.000 1.248 277 A CA -0.732 51.408 52.037 0.171 0.000 0.712 277 A CB 0.785 19.828 19.000 0.071 0.000 1.312 277 A HN 0.704 nan 8.150 nan 0.000 0.441 278 I N 0.585 121.203 120.570 0.080 0.000 2.389 278 I HA 0.336 4.506 4.170 -0.001 0.000 0.288 278 I C -1.049 175.062 176.117 -0.011 0.000 0.999 278 I CA -0.581 60.709 61.300 -0.017 0.000 1.129 278 I CB 1.754 39.702 38.000 -0.087 0.000 1.288 278 I HN 0.484 nan 8.210 nan 0.000 0.444 279 L N 7.605 128.830 121.223 0.003 0.000 2.268 279 L HA 0.397 4.736 4.340 -0.001 0.000 0.289 279 L C -0.023 176.932 176.870 0.142 0.000 1.064 279 L CA 0.104 54.968 54.840 0.039 0.000 0.824 279 L CB 0.240 42.304 42.059 0.008 0.000 1.202 279 L HN 0.542 nan 8.230 nan 0.000 0.433 280 R N 4.025 124.588 120.500 0.104 0.000 2.310 280 R HA 0.321 4.660 4.340 -0.001 0.000 0.324 280 R C -1.258 175.161 176.300 0.198 0.000 0.955 280 R CA -0.629 55.556 56.100 0.141 0.000 0.830 280 R CB 0.578 30.906 30.300 0.048 0.000 1.154 280 R HN 0.468 nan 8.270 nan 0.000 0.458 281 Y N 2.429 122.785 120.300 0.092 0.000 2.511 281 Y HA -0.013 4.536 4.550 -0.001 0.000 0.332 281 Y C 0.399 176.329 175.900 0.050 0.000 1.177 281 Y CA 0.294 58.448 58.100 0.090 0.000 1.422 281 Y CB 0.455 38.997 38.460 0.135 0.000 1.271 281 Y HN 0.554 nan 8.280 nan 0.000 0.550 282 D N 2.060 122.540 120.400 0.134 0.000 2.586 282 D HA 0.213 4.853 4.640 -0.001 0.000 0.234 282 D C 1.190 177.552 176.300 0.103 0.000 1.132 282 D CA 1.867 55.919 54.000 0.086 0.000 0.860 282 D CB 0.543 41.374 40.800 0.052 0.000 1.159 282 D HN 0.840 nan 8.370 nan 0.000 0.490 283 G N 1.299 110.139 108.800 0.068 0.000 2.232 283 G HA2 -0.180 3.780 3.960 -0.001 0.000 0.226 283 G HA3 -0.180 3.780 3.960 -0.001 0.000 0.226 283 G C 0.529 175.452 174.900 0.038 0.000 0.996 283 G CA 0.163 45.293 45.100 0.050 0.000 0.626 283 G HN 0.880 nan 8.290 nan 0.000 0.509 284 A N 1.977 124.828 122.820 0.053 0.000 2.445 284 A HA 0.633 4.953 4.320 -0.001 0.000 0.242 284 A C -0.936 176.642 177.584 -0.010 0.000 1.075 284 A CA -0.175 51.869 52.037 0.013 0.000 0.777 284 A CB 0.022 19.035 19.000 0.021 0.000 1.013 284 A HN 0.351 nan 8.150 nan 0.000 0.493 285 P HA 0.200 nan 4.420 nan 0.000 0.269 285 P C -0.197 177.075 177.300 -0.046 0.000 1.215 285 P CA 0.061 63.139 63.100 -0.038 0.000 0.780 285 P CB 0.675 32.346 31.700 -0.049 0.000 0.898 286 A N 2.450 125.249 122.820 -0.035 0.000 3.051 286 A HA 0.389 4.708 4.320 -0.001 0.000 0.257 286 A C 0.649 178.203 177.584 -0.050 0.000 1.785 286 A CA -0.184 51.831 52.037 -0.036 0.000 1.420 286 A CB -1.422 17.566 19.000 -0.021 0.000 1.063 286 A HN 0.453 nan 8.150 nan 0.000 0.630 287 V N -2.458 117.409 119.914 -0.078 0.000 3.158 287 V HA 0.583 4.703 4.120 -0.001 0.000 0.311 287 V C -0.264 175.733 176.094 -0.161 0.000 1.181 287 V CA -1.261 60.982 62.300 -0.094 0.000 1.054 287 V CB 1.240 33.008 31.823 -0.091 0.000 1.085 287 V HN 0.486 nan 8.190 nan 0.000 0.446 288 E N 1.707 121.801 120.200 -0.177 0.000 2.383 288 E HA 0.356 4.705 4.350 -0.001 0.000 0.264 288 E C -2.438 173.850 176.600 -0.520 0.000 1.050 288 E CA -1.509 54.687 56.400 -0.341 0.000 0.896 288 E CB 0.748 30.353 29.700 -0.158 0.000 0.982 288 E HN 0.615 nan 8.360 nan 0.000 0.424 289 P HA -0.043 nan 4.420 nan 0.000 0.268 289 P C 0.098 177.004 177.300 -0.656 0.000 1.208 289 P CA 0.226 62.733 63.100 -0.987 0.000 0.777 289 P CB 0.472 31.218 31.700 -1.590 0.000 0.875 290 T N -3.858 110.482 114.554 -0.357 0.000 3.252 290 T HA 0.149 4.498 4.350 -0.001 0.000 0.286 290 T C 0.378 175.061 174.700 -0.028 0.000 1.013 290 T CA -0.406 61.644 62.100 -0.083 0.000 0.914 290 T CB -1.096 67.731 68.868 -0.068 0.000 1.131 290 T HN 0.440 nan 8.240 nan 0.000 0.529 291 T N 1.421 115.920 114.554 -0.092 0.000 2.898 291 T HA 0.378 4.727 4.350 -0.001 0.000 0.301 291 T C -0.081 174.710 174.700 0.150 0.000 1.049 291 T CA -0.700 61.404 62.100 0.006 0.000 1.095 291 T CB 0.549 69.411 68.868 -0.010 0.000 0.976 291 T HN 0.159 nan 8.240 nan 0.000 0.539 292 N N 1.594 120.337 118.700 0.071 0.000 2.456 292 N HA 0.213 4.952 4.740 -0.001 0.000 0.296 292 N C -0.397 175.114 175.510 0.003 0.000 1.102 292 N CA -0.599 52.474 53.050 0.039 0.000 0.924 292 N CB 1.675 40.171 38.487 0.014 0.000 1.186 292 N HN 0.745 nan 8.380 nan 0.000 0.492 293 Q N 0.475 120.239 119.800 -0.060 0.000 2.352 293 Q HA 0.188 4.527 4.340 -0.001 0.000 0.260 293 Q C -0.474 175.494 176.000 -0.053 0.000 0.976 293 Q CA -0.104 55.641 55.803 -0.097 0.000 0.881 293 Q CB 0.551 29.179 28.738 -0.184 0.000 1.235 293 Q HN 0.658 nan 8.270 nan 0.000 0.419 294 T N 0.071 114.596 114.554 -0.048 0.000 2.888 294 T HA 0.338 4.687 4.350 -0.001 0.000 0.284 294 T C -0.080 174.598 174.700 -0.036 0.000 1.017 294 T CA -0.873 61.207 62.100 -0.034 0.000 1.022 294 T CB 1.548 70.400 68.868 -0.027 0.000 1.013 294 T HN 0.503 nan 8.240 nan 0.000 0.465 295 T N 2.844 117.382 114.554 -0.026 0.000 2.891 295 T HA 0.100 4.449 4.350 -0.001 0.000 0.296 295 T C 0.723 175.405 174.700 -0.030 0.000 1.025 295 T CA 0.195 62.282 62.100 -0.023 0.000 1.149 295 T CB 0.310 69.168 68.868 -0.017 0.000 1.007 295 T HN 0.822 nan 8.240 nan 0.000 0.528 296 S N 2.127 117.808 115.700 -0.033 0.000 2.488 296 S HA 0.176 4.646 4.470 -0.001 0.000 0.278 296 S C 1.189 175.771 174.600 -0.030 0.000 1.259 296 S CA -0.624 57.553 58.200 -0.039 0.000 1.061 296 S CB 0.073 63.246 63.200 -0.044 0.000 0.910 296 S HN 0.620 nan 8.310 nan 0.000 0.491 297 V N 2.537 122.433 119.914 -0.030 0.000 3.635 297 V HA 0.428 4.548 4.120 -0.001 0.000 0.266 297 V C 0.461 176.542 176.094 -0.022 0.000 1.316 297 V CA 0.237 62.524 62.300 -0.022 0.000 1.060 297 V CB -0.509 31.302 31.823 -0.019 0.000 0.820 297 V HN 0.882 nan 8.190 nan 0.000 0.447 298 K N 1.818 122.200 120.400 -0.030 0.000 2.954 298 K HA 0.505 4.824 4.320 -0.001 0.000 0.171 298 K C -3.125 173.449 176.600 -0.044 0.000 1.079 298 K CA -1.594 54.675 56.287 -0.030 0.000 0.908 298 K CB 1.064 33.550 32.500 -0.024 0.000 1.142 298 K HN 0.249 nan 8.250 nan 0.000 0.613 299 P HA -0.056 nan 4.420 nan 0.000 0.269 299 P C -0.024 177.240 177.300 -0.061 0.000 1.215 299 P CA -0.646 62.421 63.100 -0.055 0.000 0.780 299 P CB 0.710 32.386 31.700 -0.040 0.000 0.898 300 L N 2.446 123.614 121.223 -0.091 0.000 2.499 300 L HA 0.195 4.534 4.340 -0.001 0.000 0.273 300 L C 0.067 176.908 176.870 -0.048 0.000 1.195 300 L CA 0.587 55.367 54.840 -0.100 0.000 0.882 300 L CB -0.789 41.152 42.059 -0.197 0.000 1.133 300 L HN 0.334 nan 8.230 nan 0.000 0.483 301 N N 3.301 121.981 118.700 -0.033 0.000 2.342 301 N HA 0.132 4.871 4.740 -0.001 0.000 0.293 301 N C 0.381 175.886 175.510 -0.008 0.000 1.026 301 N CA -0.325 52.721 53.050 -0.007 0.000 0.857 301 N CB 1.605 40.088 38.487 -0.008 0.000 1.256 301 N HN 0.874 nan 8.380 nan 0.000 0.484 302 E N 2.123 122.337 120.200 0.023 0.000 2.160 302 E HA -0.151 4.199 4.350 -0.001 0.000 0.195 302 E C 1.434 178.011 176.600 -0.037 0.000 0.991 302 E CA 1.384 57.800 56.400 0.028 0.000 0.810 302 E CB 0.219 29.954 29.700 0.059 0.000 0.742 302 E HN 0.532 nan 8.360 nan 0.000 0.466 303 V N -1.360 118.526 119.914 -0.046 0.000 3.078 303 V HA -0.144 3.975 4.120 -0.001 0.000 0.265 303 V C 1.169 177.172 176.094 -0.152 0.000 1.122 303 V CA 1.970 64.226 62.300 -0.073 0.000 1.141 303 V CB -0.713 31.091 31.823 -0.032 0.000 0.735 303 V HN 0.208 nan 8.190 nan 0.000 0.498 304 N N 0.118 118.731 118.700 -0.146 0.000 2.422 304 N HA 0.286 5.026 4.740 -0.001 0.000 0.181 304 N C 0.210 175.526 175.510 -0.323 0.000 1.080 304 N CA -0.101 52.852 53.050 -0.163 0.000 0.893 304 N CB 0.074 38.530 38.487 -0.051 0.000 0.973 304 N HN 0.434 nan 8.380 nan 0.000 0.456 305 L N 1.241 122.272 121.223 -0.319 0.000 2.331 305 L HA 0.267 4.606 4.340 -0.001 0.000 0.278 305 L C -0.590 176.030 176.870 -0.417 0.000 1.106 305 L CA -0.042 54.664 54.840 -0.224 0.000 0.824 305 L CB 0.606 42.646 42.059 -0.032 0.000 1.142 305 L HN 0.162 nan 8.230 nan 0.000 0.443 306 H N 2.059 121.193 119.070 0.106 0.000 2.851 306 H HA 0.366 4.922 4.556 -0.001 0.000 0.372 306 H C -2.478 172.925 175.328 0.125 0.000 1.158 306 H CA -1.915 54.202 56.048 0.116 0.000 1.159 306 H CB 1.721 31.541 29.762 0.097 0.000 1.757 306 H HN 0.369 nan 8.280 nan 0.000 0.546 307 P HA -0.092 nan 4.420 nan 0.000 0.266 307 P C 0.700 178.085 177.300 0.142 0.000 1.195 307 P CA -0.161 63.044 63.100 0.175 0.000 0.768 307 P CB 0.825 32.609 31.700 0.140 0.000 0.838 308 L N 5.154 126.447 121.223 0.116 0.000 2.042 308 L HA -0.098 4.241 4.340 -0.001 0.000 0.210 308 L C 0.627 177.518 176.870 0.034 0.000 1.076 308 L CA 1.877 56.762 54.840 0.076 0.000 0.749 308 L CB -0.501 41.565 42.059 0.011 0.000 0.893 308 L HN 0.266 nan 8.230 nan 0.000 0.432 309 V N -2.881 117.044 119.914 0.018 0.000 2.667 309 V HA 0.482 4.601 4.120 -0.001 0.000 0.308 309 V C 0.387 176.487 176.094 0.010 0.000 1.048 309 V CA -0.673 61.629 62.300 0.004 0.000 0.928 309 V CB 1.196 33.010 31.823 -0.015 0.000 1.004 309 V HN 0.156 nan 8.190 nan 0.000 0.444 310 S N 2.829 118.537 115.700 0.013 0.000 2.629 310 S HA 0.215 4.684 4.470 -0.001 0.000 0.302 310 S C 0.286 174.887 174.600 0.001 0.000 1.244 310 S CA 0.345 58.559 58.200 0.023 0.000 1.098 310 S CB -0.765 62.449 63.200 0.022 0.000 0.858 310 S HN 1.068 nan 8.310 nan 0.000 0.502 311 T N 8.291 122.852 114.554 0.011 0.000 2.864 311 T HA 0.440 4.789 4.350 -0.001 0.000 0.299 311 T C -2.736 172.001 174.700 0.062 0.000 1.011 311 T CA -1.026 61.027 62.100 -0.078 0.000 0.975 311 T CB 1.499 70.174 68.868 -0.321 0.000 0.962 311 T HN 0.413 nan 8.240 nan 0.000 0.448 312 P HA 0.241 nan 4.420 nan 0.000 0.271 312 P C -0.333 177.154 177.300 0.313 0.000 1.216 312 P CA -0.493 62.702 63.100 0.159 0.000 0.771 312 P CB 0.442 32.201 31.700 0.099 0.000 0.864 313 V N 6.292 126.404 119.914 0.330 0.000 2.572 313 V HA 0.114 4.233 4.120 -0.001 0.000 0.291 313 V C -1.733 174.501 176.094 0.234 0.000 1.039 313 V CA -1.196 61.309 62.300 0.343 0.000 1.055 313 V CB -0.068 31.917 31.823 0.270 0.000 0.969 313 V HN 0.591 nan 8.190 nan 0.000 0.482 314 P HA 0.304 nan 4.420 nan 0.000 0.266 314 P C 0.610 177.949 177.300 0.066 0.000 1.193 314 P CA 1.585 64.759 63.100 0.123 0.000 0.770 314 P CB 0.258 32.018 31.700 0.100 0.000 0.836 315 G N 1.616 110.429 108.800 0.021 0.000 2.593 315 G HA2 -0.026 3.933 3.960 -0.001 0.000 0.237 315 G HA3 -0.026 3.933 3.960 -0.001 0.000 0.237 315 G C -0.482 174.397 174.900 -0.035 0.000 1.312 315 G CA -0.103 44.984 45.100 -0.021 0.000 0.896 315 G HN 0.895 nan 8.290 nan 0.000 0.574 316 S N -0.257 115.386 115.700 -0.095 0.000 2.600 316 S HA 0.786 5.255 4.470 -0.001 0.000 0.300 316 S C -2.943 171.469 174.600 -0.312 0.000 1.087 316 S CA -1.007 57.110 58.200 -0.138 0.000 0.965 316 S CB 2.807 65.937 63.200 -0.117 0.000 1.089 316 S HN 0.683 nan 8.310 nan 0.000 0.496 317 P HA 0.282 nan 4.420 nan 0.000 0.230 317 P C -0.810 175.971 177.300 -0.865 0.000 1.791 317 P CA -0.064 62.605 63.100 -0.719 0.000 1.020 317 P CB -0.666 30.909 31.700 -0.208 0.000 1.977 318 S N -1.251 113.871 115.700 -0.962 0.000 2.547 318 S HA 0.384 4.854 4.470 -0.001 0.000 0.270 318 S C -0.515 173.855 174.600 -0.383 0.000 1.150 318 S CA -0.904 56.985 58.200 -0.520 0.000 0.850 318 S CB 1.012 64.048 63.200 -0.272 0.000 1.118 318 S HN 0.014 nan 8.310 nan 0.000 0.461 319 S N 0.849 116.417 115.700 -0.219 0.000 2.555 319 S HA 0.428 4.897 4.470 -0.001 0.000 0.293 319 S C 1.573 176.086 174.600 -0.145 0.000 1.248 319 S CA 1.125 59.214 58.200 -0.186 0.000 1.096 319 S CB -0.976 62.084 63.200 -0.233 0.000 0.881 319 S HN 2.466 nan 8.310 nan 0.000 0.498 320 G N 3.611 112.344 108.800 -0.112 0.000 2.162 320 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.260 320 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.260 320 G C 0.523 175.360 174.900 -0.105 0.000 0.976 320 G CA 0.095 45.136 45.100 -0.098 0.000 0.655 320 G HN 1.339 nan 8.290 nan 0.000 0.533 321 G N 0.050 108.768 108.800 -0.136 0.000 3.197 321 G HA2 0.601 4.560 3.960 -0.001 0.000 0.257 321 G HA3 0.601 4.560 3.960 -0.001 0.000 0.257 321 G C 0.402 175.236 174.900 -0.110 0.000 0.835 321 G CA 0.792 45.809 45.100 -0.138 0.000 2.001 321 G HN 1.708 nan 8.290 nan 0.000 0.625 322 V N -3.103 116.755 119.914 -0.092 0.000 3.182 322 V HA 0.509 4.629 4.120 -0.001 0.000 0.308 322 V C 0.353 176.397 176.094 -0.083 0.000 1.240 322 V CA -0.934 61.314 62.300 -0.088 0.000 1.063 322 V CB 1.777 33.540 31.823 -0.100 0.000 1.076 322 V HN 0.111 nan 8.190 nan 0.000 0.446 323 D N 0.275 120.624 120.400 -0.086 0.000 2.149 323 D HA 0.017 4.656 4.640 -0.001 0.000 0.201 323 D C 0.538 176.791 176.300 -0.077 0.000 0.972 323 D CA 1.698 55.654 54.000 -0.074 0.000 0.835 323 D CB 0.450 41.210 40.800 -0.067 0.000 0.966 323 D HN 0.636 nan 8.370 nan 0.000 0.476 324 K N -0.004 120.334 120.400 -0.103 0.000 2.565 324 K HA 0.538 4.857 4.320 -0.001 0.000 0.249 324 K C -1.834 174.697 176.600 -0.115 0.000 0.958 324 K CA -0.528 55.702 56.287 -0.096 0.000 0.806 324 K CB 2.227 34.675 32.500 -0.088 0.000 1.194 324 K HN -0.128 nan 8.250 nan 0.000 0.434 325 A N 5.530 128.293 122.820 -0.095 0.000 2.318 325 A HA 0.682 5.002 4.320 -0.001 0.000 0.324 325 A C -0.795 176.728 177.584 -0.101 0.000 1.170 325 A CA -0.776 51.199 52.037 -0.103 0.000 0.810 325 A CB 0.346 19.291 19.000 -0.092 0.000 1.198 325 A HN 0.708 nan 8.150 nan 0.000 0.484 326 I N 2.133 122.627 120.570 -0.126 0.000 2.436 326 I HA 0.290 4.460 4.170 -0.001 0.000 0.289 326 I C -0.356 175.636 176.117 -0.209 0.000 1.010 326 I CA -0.615 60.605 61.300 -0.134 0.000 1.098 326 I CB 2.238 40.175 38.000 -0.106 0.000 1.266 326 I HN 0.752 nan 8.210 nan 0.000 0.434 327 N N 6.325 124.911 118.700 -0.189 0.000 2.399 327 N HA 0.505 5.244 4.740 -0.001 0.000 0.295 327 N C -1.053 174.298 175.510 -0.265 0.000 1.048 327 N CA -0.539 52.360 53.050 -0.251 0.000 0.886 327 N CB 1.087 39.466 38.487 -0.179 0.000 1.185 327 N HN 0.375 nan 8.380 nan 0.000 0.487 328 M N 2.733 122.085 119.600 -0.414 0.000 2.047 328 M HA 0.386 4.865 4.480 -0.001 0.000 0.342 328 M C -0.703 175.298 176.300 -0.500 0.000 1.058 328 M CA -0.810 54.275 55.300 -0.359 0.000 0.991 328 M CB 0.518 32.888 32.600 -0.383 0.000 1.474 328 M HN 0.583 nan 8.290 nan 0.000 0.419 329 A N 4.439 127.139 122.820 -0.199 0.000 2.269 329 A HA 0.713 5.032 4.320 -0.001 0.000 0.302 329 A C -0.767 176.918 177.584 0.168 0.000 1.266 329 A CA -0.330 51.632 52.037 -0.124 0.000 0.894 329 A CB 0.027 19.015 19.000 -0.020 0.000 1.147 329 A HN 0.565 nan 8.150 nan 0.000 0.537 330 F N 2.152 122.252 119.950 0.249 0.000 2.385 330 F HA 0.472 4.998 4.527 -0.001 0.000 0.336 330 F C 0.680 176.652 175.800 0.286 0.000 1.100 330 F CA -0.958 57.274 58.000 0.386 0.000 1.116 330 F CB 1.145 40.444 39.000 0.497 0.000 1.166 330 F HN 0.524 nan 8.300 nan 0.000 0.511 331 N N 1.468 120.483 118.700 0.526 0.000 2.525 331 N HA 0.522 5.261 4.740 -0.001 0.000 0.270 331 N C -2.028 173.717 175.510 0.391 0.000 1.321 331 N CA -0.422 52.828 53.050 0.333 0.000 0.797 331 N CB 3.080 41.645 38.487 0.130 0.000 1.529 331 N HN 0.492 nan 8.380 nan 0.000 0.491 332 F N 1.777 121.742 119.950 0.025 0.000 2.622 332 F HA 0.288 4.815 4.527 -0.001 0.000 0.318 332 F C -0.719 175.003 175.800 -0.130 0.000 1.135 332 F CA -0.782 57.098 58.000 -0.201 0.000 1.015 332 F CB 1.077 39.719 39.000 -0.597 0.000 1.275 332 F HN 0.436 nan 8.300 nan 0.000 0.457 333 N N 3.022 121.237 118.700 -0.809 0.000 2.200 333 N HA 0.364 5.103 4.740 -0.001 0.000 0.224 333 N C 0.843 175.924 175.510 -0.716 0.000 1.179 333 N CA 0.376 53.105 53.050 -0.535 0.000 0.877 333 N CB 1.133 39.511 38.487 -0.182 0.000 1.072 333 N HN 1.183 nan 8.380 nan 0.000 0.519 334 G N -0.006 107.880 108.800 -1.523 0.000 2.339 334 G HA2 -0.307 3.652 3.960 -0.001 0.000 0.209 334 G HA3 -0.307 3.652 3.960 -0.001 0.000 0.209 334 G C 0.809 175.455 174.900 -0.423 0.000 1.015 334 G CA 0.624 45.268 45.100 -0.760 0.000 0.635 334 G HN 0.840 nan 8.290 nan 0.000 0.499 335 S N -0.871 114.551 115.700 -0.463 0.000 2.691 335 S HA 0.395 4.865 4.470 -0.001 0.000 0.258 335 S C 0.198 174.826 174.600 0.047 0.000 1.078 335 S CA 0.788 58.981 58.200 -0.012 0.000 1.000 335 S CB 0.586 63.760 63.200 -0.043 0.000 0.942 335 S HN 0.440 nan 8.310 nan 0.000 0.521 336 N N 0.160 118.717 118.700 -0.239 0.000 2.238 336 N HA 0.682 5.422 4.740 -0.001 0.000 0.302 336 N C -1.774 173.533 175.510 -0.339 0.000 1.072 336 N CA -0.478 52.455 53.050 -0.196 0.000 0.792 336 N CB 1.374 39.664 38.487 -0.328 0.000 1.425 336 N HN 0.147 nan 8.380 nan 0.000 0.478 337 F N 0.935 120.779 119.950 -0.178 0.000 2.399 337 F HA 0.586 5.113 4.527 -0.001 0.000 0.328 337 F C -0.298 175.305 175.800 -0.330 0.000 1.084 337 F CA -0.326 57.534 58.000 -0.233 0.000 1.053 337 F CB 0.844 39.414 39.000 -0.716 0.000 1.209 337 F HN 0.271 nan 8.300 nan 0.000 0.502 338 F N 2.233 122.345 119.950 0.270 0.000 2.556 338 F HA 0.574 5.100 4.527 -0.001 0.000 0.314 338 F C -0.542 175.555 175.800 0.495 0.000 1.106 338 F CA -0.818 57.377 58.000 0.324 0.000 0.911 338 F CB 1.658 40.778 39.000 0.200 0.000 1.190 338 F HN 0.091 nan 8.300 nan 0.000 0.448 339 I N 3.369 124.321 120.570 0.638 0.000 2.382 339 I HA 0.264 4.433 4.170 -0.001 0.000 0.286 339 I C -0.489 175.869 176.117 0.401 0.000 1.002 339 I CA -0.748 60.911 61.300 0.598 0.000 1.135 339 I CB 1.227 39.566 38.000 0.564 0.000 1.288 339 I HN 0.630 nan 8.210 nan 0.000 0.448 340 N N 5.370 124.257 118.700 0.312 0.000 2.714 340 N HA -0.207 4.532 4.740 -0.001 0.000 0.252 340 N C 0.874 176.507 175.510 0.204 0.000 1.014 340 N CA 1.359 54.525 53.050 0.195 0.000 0.735 340 N CB -0.862 37.708 38.487 0.139 0.000 0.924 340 N HN 1.164 nan 8.380 nan 0.000 0.540 341 G N -2.640 106.311 108.800 0.251 0.000 2.176 341 G HA2 -0.077 3.882 3.960 -0.001 0.000 0.253 341 G HA3 -0.077 3.882 3.960 -0.001 0.000 0.253 341 G C 0.088 175.200 174.900 0.352 0.000 0.979 341 G CA 0.616 45.842 45.100 0.211 0.000 0.641 341 G HN 1.269 nan 8.290 nan 0.000 0.530 342 A N -0.148 122.920 122.820 0.413 0.000 2.330 342 A HA 0.831 5.151 4.320 -0.001 0.000 0.313 342 A C 0.094 177.880 177.584 0.337 0.000 1.124 342 A CA 0.636 52.895 52.037 0.369 0.000 0.774 342 A CB 1.603 20.756 19.000 0.255 0.000 1.198 342 A HN 1.316 nan 8.150 nan 0.000 0.465 343 S N 2.123 117.893 115.700 0.116 0.000 2.452 343 S HA 0.495 4.965 4.470 -0.001 0.000 0.284 343 S C -0.425 174.208 174.600 0.056 0.000 1.171 343 S CA -0.379 57.725 58.200 -0.160 0.000 1.064 343 S CB -0.210 62.557 63.200 -0.721 0.000 0.967 343 S HN 0.552 nan 8.310 nan 0.000 0.484 344 F N 6.019 126.010 119.950 0.067 0.000 2.541 344 F HA 0.341 4.868 4.527 -0.001 0.000 0.378 344 F C -0.294 175.553 175.800 0.078 0.000 1.068 344 F CA 0.279 58.350 58.000 0.118 0.000 1.199 344 F CB 0.430 39.547 39.000 0.195 0.000 1.091 344 F HN 0.278 nan 8.300 nan 0.000 0.555 345 V N 8.125 127.741 119.914 -0.497 0.000 2.444 345 V HA 0.316 4.435 4.120 -0.001 0.000 0.294 345 V C -2.144 173.625 176.094 -0.540 0.000 1.022 345 V CA -2.062 60.048 62.300 -0.317 0.000 0.850 345 V CB 1.469 33.166 31.823 -0.209 0.000 0.992 345 V HN 0.611 nan 8.190 nan 0.000 0.426 346 P HA 0.160 nan 4.420 nan 0.000 0.265 346 P C -2.452 174.682 177.300 -0.276 0.000 1.193 346 P CA -0.614 62.423 63.100 -0.106 0.000 0.765 346 P CB -0.139 31.546 31.700 -0.024 0.000 0.823 347 P HA 0.047 nan 4.420 nan 0.000 0.276 347 P C 0.705 177.914 177.300 -0.151 0.000 1.244 347 P CA -0.214 62.803 63.100 -0.139 0.000 0.801 347 P CB 0.827 32.502 31.700 -0.041 0.000 1.006 348 S N 0.807 116.435 115.700 -0.121 0.000 2.383 348 S HA -0.030 4.439 4.470 -0.001 0.000 0.227 348 S C 0.890 175.527 174.600 0.062 0.000 1.026 348 S CA 0.618 58.772 58.200 -0.077 0.000 0.981 348 S CB -0.793 62.375 63.200 -0.053 0.000 0.818 348 S HN 0.294 nan 8.310 nan 0.000 0.472 349 V N 4.411 124.355 119.914 0.050 0.000 2.364 349 V HA 0.390 4.510 4.120 -0.001 0.000 0.272 349 V C -2.461 173.691 176.094 0.097 0.000 1.036 349 V CA -2.209 60.130 62.300 0.066 0.000 0.880 349 V CB 0.701 32.546 31.823 0.036 0.000 0.991 349 V HN 0.203 nan 8.190 nan 0.000 0.460 350 P HA 0.009 nan 4.420 nan 0.000 0.265 350 P C 1.191 178.546 177.300 0.091 0.000 1.187 350 P CA 0.207 63.369 63.100 0.103 0.000 0.766 350 P CB 0.616 32.331 31.700 0.026 0.000 0.820 351 V N 3.252 123.207 119.914 0.068 0.000 2.278 351 V HA -0.267 3.852 4.120 -0.001 0.000 0.251 351 V C 2.208 178.330 176.094 0.046 0.000 1.062 351 V CA 1.977 64.305 62.300 0.048 0.000 1.038 351 V CB -1.181 30.655 31.823 0.022 0.000 0.646 351 V HN 0.527 nan 8.190 nan 0.000 0.447 352 L N -0.366 120.891 121.223 0.056 0.000 2.012 352 L HA -0.156 4.183 4.340 -0.001 0.000 0.210 352 L C 2.225 179.201 176.870 0.177 0.000 1.073 352 L CA 1.935 56.821 54.840 0.076 0.000 0.748 352 L CB -0.783 41.325 42.059 0.082 0.000 0.891 352 L HN 0.286 nan 8.230 nan 0.000 0.431 353 L N -0.361 121.048 121.223 0.309 0.000 2.042 353 L HA -0.257 4.082 4.340 -0.001 0.000 0.210 353 L C 2.536 179.490 176.870 0.141 0.000 1.076 353 L CA 1.838 56.852 54.840 0.289 0.000 0.749 353 L CB -0.885 41.270 42.059 0.160 0.000 0.893 353 L HN 0.483 nan 8.230 nan 0.000 0.432 354 Q N -0.714 119.144 119.800 0.096 0.000 2.112 354 Q HA -0.240 4.099 4.340 -0.001 0.000 0.206 354 Q C 2.267 178.301 176.000 0.056 0.000 0.987 354 Q CA 2.227 58.068 55.803 0.063 0.000 0.858 354 Q CB -0.293 28.476 28.738 0.051 0.000 0.905 354 Q HN 0.573 nan 8.270 nan 0.000 0.420 355 I N 0.531 121.132 120.570 0.053 0.000 2.202 355 I HA -0.265 3.904 4.170 -0.001 0.000 0.242 355 I C 2.125 178.264 176.117 0.038 0.000 1.091 355 I CA 0.955 62.276 61.300 0.035 0.000 1.368 355 I CB -0.254 37.753 38.000 0.011 0.000 1.058 355 I HN 0.203 nan 8.210 nan 0.000 0.410 356 L N -0.065 121.191 121.223 0.056 0.000 2.191 356 L HA -0.160 4.179 4.340 -0.001 0.000 0.212 356 L C 2.082 178.987 176.870 0.058 0.000 1.103 356 L CA 1.024 55.898 54.840 0.057 0.000 0.769 356 L CB -0.579 41.535 42.059 0.092 0.000 0.908 356 L HN 0.191 nan 8.230 nan 0.000 0.438 357 S N -0.556 115.181 115.700 0.061 0.000 2.631 357 S HA 0.225 4.694 4.470 -0.001 0.000 0.217 357 S C 1.423 176.044 174.600 0.035 0.000 0.958 357 S CA 0.668 58.896 58.200 0.048 0.000 0.920 357 S CB 0.556 63.785 63.200 0.047 0.000 0.776 357 S HN 0.673 nan 8.310 nan 0.000 0.517 358 G N 0.988 109.808 108.800 0.033 0.000 2.201 358 G HA2 -0.144 3.815 3.960 -0.001 0.000 0.212 358 G HA3 -0.144 3.815 3.960 -0.001 0.000 0.212 358 G C 0.159 175.075 174.900 0.027 0.000 0.994 358 G CA -0.340 44.776 45.100 0.027 0.000 0.644 358 G HN 0.773 nan 8.290 nan 0.000 0.508 359 A N 0.355 123.193 122.820 0.030 0.000 2.395 359 A HA 0.684 5.003 4.320 -0.001 0.000 0.286 359 A C 0.906 178.508 177.584 0.030 0.000 1.193 359 A CA 0.926 52.981 52.037 0.030 0.000 0.852 359 A CB 0.238 19.257 19.000 0.032 0.000 1.118 359 A HN 0.492 nan 8.150 nan 0.000 0.524 360 Q N 0.987 120.805 119.800 0.030 0.000 2.185 360 Q HA 0.084 4.423 4.340 -0.001 0.000 0.234 360 Q C 0.287 176.308 176.000 0.035 0.000 0.819 360 Q CA 0.578 56.400 55.803 0.031 0.000 0.961 360 Q CB 0.959 29.714 28.738 0.029 0.000 1.140 360 Q HN 0.886 nan 8.270 nan 0.000 0.492 361 T N -3.510 111.065 114.554 0.035 0.000 2.918 361 T HA 0.640 4.989 4.350 -0.001 0.000 0.286 361 T C 1.075 175.800 174.700 0.043 0.000 1.026 361 T CA -0.168 61.954 62.100 0.037 0.000 1.031 361 T CB 1.880 70.766 68.868 0.031 0.000 1.046 361 T HN 0.023 nan 8.240 nan 0.000 0.479 362 A N 1.007 123.856 122.820 0.048 0.000 1.917 362 A HA -0.167 4.152 4.320 -0.001 0.000 0.219 362 A C 2.317 179.930 177.584 0.048 0.000 1.182 362 A CA 2.245 54.315 52.037 0.056 0.000 0.633 362 A CB -1.223 17.812 19.000 0.059 0.000 0.819 362 A HN 0.874 nan 8.150 nan 0.000 0.448 363 Q N 0.166 119.989 119.800 0.039 0.000 2.096 363 Q HA -0.194 4.145 4.340 -0.001 0.000 0.204 363 Q C 1.112 177.130 176.000 0.029 0.000 0.982 363 Q CA 2.360 58.182 55.803 0.032 0.000 0.850 363 Q CB -0.380 28.374 28.738 0.026 0.000 0.901 363 Q HN 0.633 nan 8.270 nan 0.000 0.422 364 D N -0.865 119.552 120.400 0.030 0.000 2.289 364 D HA 0.073 4.712 4.640 -0.001 0.000 0.207 364 D C -0.040 176.278 176.300 0.029 0.000 0.966 364 D CA 0.220 54.236 54.000 0.027 0.000 0.868 364 D CB 0.150 40.965 40.800 0.026 0.000 0.943 364 D HN 0.247 nan 8.370 nan 0.000 0.514 365 L N 1.075 122.320 121.223 0.037 0.000 2.349 365 L HA 0.193 4.532 4.340 -0.001 0.000 0.275 365 L C -0.398 176.496 176.870 0.041 0.000 1.115 365 L CA -0.556 54.310 54.840 0.043 0.000 0.820 365 L CB 0.881 42.974 42.059 0.056 0.000 1.135 365 L HN -0.205 nan 8.230 nan 0.000 0.445 366 L N 4.967 126.209 121.223 0.032 0.000 2.334 366 L HA 0.590 4.929 4.340 -0.001 0.000 0.276 366 L C -2.191 174.681 176.870 0.004 0.000 1.014 366 L CA -1.990 52.853 54.840 0.006 0.000 0.815 366 L CB 1.295 43.345 42.059 -0.014 0.000 1.268 366 L HN 0.316 nan 8.230 nan 0.000 0.428 367 P HA 0.207 nan 4.420 nan 0.000 0.279 367 P C -0.738 176.555 177.300 -0.011 0.000 1.239 367 P CA -0.527 62.513 63.100 -0.101 0.000 0.789 367 P CB 0.685 32.217 31.700 -0.280 0.000 0.933 368 S N 1.487 117.185 115.700 -0.003 0.000 2.544 368 S HA 0.327 4.796 4.470 -0.001 0.000 0.290 368 S C 1.567 176.200 174.600 0.056 0.000 1.276 368 S CA 1.003 59.220 58.200 0.030 0.000 1.075 368 S CB -0.722 62.490 63.200 0.021 0.000 0.849 368 S HN 0.926 nan 8.310 nan 0.000 0.494 369 G N 2.618 111.467 108.800 0.082 0.000 2.176 369 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.253 369 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.253 369 G C 0.650 175.646 174.900 0.160 0.000 0.979 369 G CA 0.296 45.462 45.100 0.110 0.000 0.641 369 G HN 0.669 nan 8.290 nan 0.000 0.530 370 S N -0.891 114.921 115.700 0.187 0.000 2.559 370 S HA 0.515 4.984 4.470 -0.001 0.000 0.226 370 S C 0.873 175.661 174.600 0.314 0.000 1.000 370 S CA 0.571 58.955 58.200 0.307 0.000 0.948 370 S CB 1.145 64.602 63.200 0.429 0.000 0.870 370 S HN 0.477 nan 8.310 nan 0.000 0.497 374 L N 7.104 128.387 121.223 0.100 0.000 2.317 374 L HA 0.760 5.100 4.340 -0.001 0.000 0.281 374 L C -2.030 174.883 176.870 0.071 0.000 1.024 374 L CA -1.871 53.020 54.840 0.085 0.000 0.810 374 L CB 1.726 43.863 42.059 0.131 0.000 1.240 374 L HN 0.426 nan 8.230 nan 0.000 0.427 375 P HA 0.103 nan 4.420 nan 0.000 0.272 375 P C -0.422 176.906 177.300 0.047 0.000 1.230 375 P CA -0.370 62.751 63.100 0.034 0.000 0.788 375 P CB 0.924 32.630 31.700 0.010 0.000 0.949 376 S N 1.545 117.277 115.700 0.053 0.000 2.601 376 S HA 0.144 4.613 4.470 -0.001 0.000 0.271 376 S C 0.343 174.970 174.600 0.046 0.000 1.305 376 S CA -0.264 57.975 58.200 0.066 0.000 1.022 376 S CB -0.788 62.451 63.200 0.065 0.000 0.940 376 S HN 0.517 nan 8.310 nan 0.000 0.525 377 N N 0.423 119.156 118.700 0.055 0.000 2.725 377 N HA -0.177 4.562 4.740 -0.001 0.000 0.251 377 N C -0.598 174.920 175.510 0.014 0.000 1.031 377 N CA 1.096 54.169 53.050 0.038 0.000 0.720 377 N CB -1.869 36.638 38.487 0.034 0.000 0.930 377 N HN 0.750 nan 8.380 nan 0.000 0.543 378 A N -0.546 122.271 122.820 -0.005 0.000 2.413 378 A HA 0.781 5.100 4.320 -0.001 0.000 0.307 378 A C 0.256 177.783 177.584 -0.095 0.000 1.087 378 A CA -0.208 51.802 52.037 -0.044 0.000 0.750 378 A CB 1.311 20.280 19.000 -0.051 0.000 1.296 378 A HN 0.396 nan 8.150 nan 0.000 0.423 379 S N 1.298 116.934 115.700 -0.105 0.000 2.537 379 S HA 0.705 5.175 4.470 -0.001 0.000 0.275 379 S C -0.273 174.178 174.600 -0.249 0.000 1.272 379 S CA -0.383 57.725 58.200 -0.153 0.000 1.050 379 S CB 0.449 63.599 63.200 -0.084 0.000 0.961 379 S HN 0.498 nan 8.310 nan 0.000 0.496 380 I N 1.742 122.055 120.570 -0.429 0.000 2.545 380 I HA 0.489 4.658 4.170 -0.001 0.000 0.292 380 I C -0.088 175.795 176.117 -0.391 0.000 1.040 380 I CA -0.506 60.474 61.300 -0.533 0.000 1.068 380 I CB 1.671 39.012 38.000 -1.098 0.000 1.251 380 I HN 0.873 nan 8.210 nan 0.000 0.424 381 E N 6.300 126.366 120.200 -0.223 0.000 2.199 381 E HA 0.656 5.005 4.350 -0.001 0.000 0.265 381 E C -1.505 175.019 176.600 -0.126 0.000 0.882 381 E CA -0.518 55.812 56.400 -0.118 0.000 0.759 381 E CB 1.995 31.656 29.700 -0.064 0.000 1.148 381 E HN 0.494 nan 8.360 nan 0.000 0.412 382 I N 3.306 123.807 120.570 -0.114 0.000 2.436 382 I HA 0.282 4.451 4.170 -0.001 0.000 0.289 382 I C -0.411 175.461 176.117 -0.408 0.000 1.010 382 I CA -0.783 60.341 61.300 -0.292 0.000 1.098 382 I CB 1.974 39.783 38.000 -0.317 0.000 1.266 382 I HN 0.431 nan 8.210 nan 0.000 0.434 383 S N 4.611 120.003 115.700 -0.514 0.000 2.501 383 S HA 0.683 5.153 4.470 -0.001 0.000 0.301 383 S C -0.758 173.417 174.600 -0.707 0.000 1.096 383 S CA -0.620 57.343 58.200 -0.396 0.000 1.063 383 S CB 1.379 64.473 63.200 -0.177 0.000 1.042 383 S HN 0.417 nan 8.310 nan 0.000 0.494 384 F N 1.803 121.608 119.950 -0.242 0.000 2.523 384 F HA 0.370 4.896 4.527 -0.001 0.000 0.322 384 F C -2.485 173.137 175.800 -0.295 0.000 1.361 384 F CA -2.125 55.652 58.000 -0.371 0.000 1.151 384 F CB 0.982 39.810 39.000 -0.286 0.000 1.391 384 F HN 0.338 nan 8.300 nan 0.000 0.566 385 P HA 0.058 nan 4.420 nan 0.000 0.263 385 P C -0.041 177.252 177.300 -0.011 0.000 1.195 385 P CA 0.257 63.301 63.100 -0.094 0.000 0.762 385 P CB 0.882 32.511 31.700 -0.119 0.000 0.799 386 A N 3.470 126.355 122.820 0.109 0.000 2.440 386 A HA 0.451 4.770 4.320 -0.001 0.000 0.251 386 A C 0.521 178.211 177.584 0.178 0.000 1.089 386 A CA 0.365 52.532 52.037 0.217 0.000 0.779 386 A CB -0.208 18.888 19.000 0.160 0.000 1.022 386 A HN 0.540 nan 8.150 nan 0.000 0.492 387 T N 0.625 115.337 114.554 0.264 0.000 2.933 387 T HA 0.512 4.862 4.350 -0.001 0.000 0.305 387 T C 0.749 175.568 174.700 0.198 0.000 1.092 387 T CA 0.213 62.433 62.100 0.199 0.000 1.008 387 T CB 1.369 70.356 68.868 0.199 0.000 1.102 387 T HN 1.276 nan 8.240 nan 0.000 0.469 388 A N 2.686 125.582 122.820 0.126 0.000 2.168 388 A HA 0.371 4.690 4.320 -0.001 0.000 0.215 388 A C 2.336 179.984 177.584 0.108 0.000 1.152 388 A CA 1.502 53.597 52.037 0.096 0.000 0.716 388 A CB -0.795 18.239 19.000 0.058 0.000 0.794 388 A HN 1.121 nan 8.150 nan 0.000 0.465 389 A N -0.453 122.452 122.820 0.141 0.000 2.019 389 A HA 0.337 4.656 4.320 -0.001 0.000 0.219 389 A C 1.409 179.111 177.584 0.197 0.000 1.164 389 A CA 1.322 53.450 52.037 0.153 0.000 0.644 389 A CB -0.413 18.682 19.000 0.157 0.000 0.805 389 A HN 1.173 nan 8.150 nan 0.000 0.449 390 A N 0.515 123.480 122.820 0.242 0.000 2.644 390 A HA 0.618 4.937 4.320 -0.001 0.000 0.343 390 A C -2.768 174.916 177.584 0.166 0.000 1.324 390 A CA -1.628 50.540 52.037 0.217 0.000 0.846 390 A CB 0.148 19.380 19.000 0.387 0.000 1.128 390 A HN 0.161 nan 8.150 nan 0.000 0.484 391 P HA 0.311 nan 4.420 nan 0.000 0.269 391 P C 1.072 178.294 177.300 -0.130 0.000 1.211 391 P CA 1.692 64.661 63.100 -0.218 0.000 0.781 391 P CB 0.652 32.083 31.700 -0.449 0.000 0.877 392 G N -0.548 108.182 108.800 -0.118 0.000 2.143 392 G HA2 0.012 3.971 3.960 -0.001 0.000 0.175 392 G HA3 0.012 3.971 3.960 -0.001 0.000 0.175 392 G C 0.312 175.065 174.900 -0.245 0.000 1.004 392 G CA -0.149 44.958 45.100 0.011 0.000 0.671 392 G HN 0.781 nan 8.290 nan 0.000 0.512 393 A N 0.457 123.021 122.820 -0.426 0.000 2.425 393 A HA 0.685 5.005 4.320 -0.001 0.000 0.242 393 A C -1.379 176.141 177.584 -0.107 0.000 1.077 393 A CA -0.451 51.329 52.037 -0.429 0.000 0.781 393 A CB 0.037 18.907 19.000 -0.218 0.000 1.020 393 A HN 0.276 nan 8.150 nan 0.000 0.494 394 P HA 0.261 nan 4.420 nan 0.000 0.287 394 P C -0.948 176.327 177.300 -0.040 0.000 1.281 394 P CA -0.102 62.964 63.100 -0.056 0.000 0.781 394 P CB 0.433 32.144 31.700 0.018 0.000 0.903 395 H N 4.615 123.756 119.070 0.118 0.000 2.878 395 H HA 0.158 4.713 4.556 -0.001 0.000 0.290 395 H C -1.969 173.371 175.328 0.020 0.000 1.065 395 H CA -1.930 54.184 56.048 0.110 0.000 1.477 395 H CB 0.022 29.917 29.762 0.221 0.000 1.484 395 H HN 0.306 nan 8.280 nan 0.000 0.504 396 P HA 0.124 nan 4.420 nan 0.000 0.286 396 P C -0.481 176.777 177.300 -0.070 0.000 1.321 396 P CA -0.243 62.843 63.100 -0.023 0.000 0.790 396 P CB -0.034 31.690 31.700 0.040 0.000 0.897 397 F N 3.022 122.817 119.950 -0.258 0.000 2.385 397 F HA 0.349 4.875 4.527 -0.001 0.000 0.336 397 F C 1.172 176.883 175.800 -0.149 0.000 1.100 397 F CA 0.286 58.069 58.000 -0.362 0.000 1.116 397 F CB 0.854 39.376 39.000 -0.797 0.000 1.166 397 F HN 0.389 nan 8.300 nan 0.000 0.511 398 H N 3.505 122.472 119.070 -0.171 0.000 2.589 398 H HA 0.556 5.111 4.556 -0.001 0.000 0.351 398 H C -1.806 173.516 175.328 -0.011 0.000 1.074 398 H CA -1.048 54.982 56.048 -0.029 0.000 1.203 398 H CB 1.531 31.305 29.762 0.020 0.000 1.558 398 H HN 0.542 nan 8.280 nan 0.000 0.522 399 L N 5.995 127.080 121.223 -0.230 0.000 2.287 399 L HA 0.344 4.683 4.340 -0.001 0.000 0.287 399 L C -0.589 176.013 176.870 -0.447 0.000 1.022 399 L CA -0.229 54.465 54.840 -0.243 0.000 0.814 399 L CB 0.570 42.560 42.059 -0.116 0.000 1.217 399 L HN 0.773 nan 8.230 nan 0.000 0.420 400 H N 3.581 122.399 119.070 -0.419 0.000 2.603 400 H HA 0.254 4.809 4.556 -0.001 0.000 0.370 400 H C 0.992 176.138 175.328 -0.303 0.000 1.225 400 H CA 0.505 56.422 56.048 -0.219 0.000 1.410 400 H CB 0.976 30.798 29.762 0.099 0.000 1.495 400 H HN 0.950 nan 8.280 nan 0.000 0.602 401 G N 0.939 109.454 108.800 -0.474 0.000 2.196 401 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.268 401 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.268 401 G C 0.090 174.352 174.900 -1.063 0.000 0.975 401 G CA 0.627 44.886 45.100 -1.402 0.000 0.648 401 G HN 0.800 nan 8.290 nan 0.000 0.538 402 H N -1.059 117.836 119.070 -0.291 0.000 3.046 402 H HA 0.474 5.029 4.556 -0.001 0.000 0.361 402 H C -0.758 174.621 175.328 0.084 0.000 1.235 402 H CA 0.004 55.937 56.048 -0.192 0.000 1.146 402 H CB 1.573 31.129 29.762 -0.343 0.000 1.859 402 H HN 0.131 nan 8.280 nan 0.000 0.548 403 T N 2.732 117.471 114.554 0.309 0.000 2.902 403 T HA 0.484 4.833 4.350 -0.001 0.000 0.283 403 T C -0.403 174.456 174.700 0.266 0.000 1.009 403 T CA -0.625 61.589 62.100 0.190 0.000 1.051 403 T CB 0.363 69.413 68.868 0.304 0.000 0.999 403 T HN 0.352 nan 8.240 nan 0.000 0.474 404 F N -0.256 119.829 119.950 0.225 0.000 2.588 404 F HA 0.860 5.386 4.527 -0.001 0.000 0.314 404 F C -0.160 175.438 175.800 -0.336 0.000 1.069 404 F CA -2.107 55.940 58.000 0.079 0.000 0.931 404 F CB 0.678 39.723 39.000 0.076 0.000 1.260 404 F HN 0.598 nan 8.300 nan 0.000 0.465 405 A N 1.470 123.921 122.820 -0.616 0.000 2.409 405 A HA 0.542 4.862 4.320 -0.001 0.000 0.262 405 A C -0.426 177.083 177.584 -0.124 0.000 1.113 405 A CA -0.568 50.896 52.037 -0.955 0.000 0.790 405 A CB 0.139 18.587 19.000 -0.920 0.000 1.046 405 A HN 0.759 nan 8.150 nan 0.000 0.496 406 V N 5.600 125.481 119.914 -0.055 0.000 2.276 406 V HA 0.062 4.181 4.120 -0.001 0.000 0.249 406 V C 1.542 177.624 176.094 -0.021 0.000 1.160 406 V CA 0.439 62.776 62.300 0.061 0.000 1.042 406 V CB -0.015 31.863 31.823 0.090 0.000 1.224 406 V HN 0.903 nan 8.190 nan 0.000 0.496 407 V N 2.022 121.925 119.914 -0.019 0.000 2.515 407 V HA 0.077 4.196 4.120 -0.001 0.000 0.250 407 V C 1.051 177.049 176.094 -0.160 0.000 1.058 407 V CA 1.025 63.285 62.300 -0.066 0.000 1.064 407 V CB -0.367 31.464 31.823 0.012 0.000 0.675 407 V HN 0.704 nan 8.190 nan 0.000 0.461 408 R N 0.220 120.620 120.500 -0.166 0.000 2.502 408 R HA 0.552 4.891 4.340 -0.001 0.000 0.300 408 R C -0.846 175.356 176.300 -0.163 0.000 0.984 408 R CA -0.189 55.725 56.100 -0.310 0.000 0.882 408 R CB 2.043 31.942 30.300 -0.669 0.000 1.180 408 R HN 0.435 nan 8.270 nan 0.000 0.444 409 S N 1.704 117.323 115.700 -0.135 0.000 2.672 409 S HA 0.518 4.987 4.470 -0.001 0.000 0.276 409 S C -0.249 174.304 174.600 -0.079 0.000 1.207 409 S CA -0.569 57.586 58.200 -0.076 0.000 1.002 409 S CB 1.596 64.767 63.200 -0.048 0.000 0.998 409 S HN 0.750 nan 8.310 nan 0.000 0.542 410 A N 0.403 123.188 122.820 -0.059 0.000 2.540 410 A HA 0.484 4.803 4.320 -0.001 0.000 0.239 410 A C 1.443 179.012 177.584 -0.026 0.000 1.061 410 A CA 0.357 52.367 52.037 -0.045 0.000 0.758 410 A CB -1.156 17.810 19.000 -0.057 0.000 0.991 410 A HN 1.820 nan 8.150 nan 0.000 0.502 411 G N 0.497 109.285 108.800 -0.020 0.000 2.179 411 G HA2 -0.135 3.824 3.960 -0.001 0.000 0.260 411 G HA3 -0.135 3.824 3.960 -0.001 0.000 0.260 411 G C 0.394 175.278 174.900 -0.026 0.000 0.977 411 G CA 0.745 45.839 45.100 -0.010 0.000 0.641 411 G HN 1.802 nan 8.290 nan 0.000 0.533 412 S N -0.905 114.763 115.700 -0.054 0.000 2.542 412 S HA 0.701 5.170 4.470 -0.001 0.000 0.293 412 S C 1.120 175.650 174.600 -0.115 0.000 1.089 412 S CA 0.854 59.008 58.200 -0.076 0.000 0.961 412 S CB 1.664 64.809 63.200 -0.092 0.000 1.062 412 S HN 1.036 nan 8.310 nan 0.000 0.483 413 T N 0.471 114.966 114.554 -0.098 0.000 3.054 413 T HA 0.288 4.638 4.350 -0.001 0.000 0.255 413 T C 0.303 174.915 174.700 -0.147 0.000 1.035 413 T CA -0.088 61.948 62.100 -0.107 0.000 0.941 413 T CB -0.176 68.679 68.868 -0.021 0.000 1.026 413 T HN 0.315 nan 8.240 nan 0.000 0.533 414 V N 2.227 122.045 119.914 -0.161 0.000 2.614 414 V HA 0.287 4.407 4.120 -0.001 0.000 0.291 414 V C -0.593 175.307 176.094 -0.323 0.000 1.049 414 V CA -0.670 61.551 62.300 -0.131 0.000 1.038 414 V CB -0.097 31.683 31.823 -0.071 0.000 0.980 414 V HN 0.427 nan 8.190 nan 0.000 0.481 415 Y N 3.242 123.443 120.300 -0.166 0.000 2.353 415 Y HA 0.363 4.912 4.550 -0.001 0.000 0.340 415 Y C 0.534 176.110 175.900 -0.540 0.000 0.972 415 Y CA -0.475 57.384 58.100 -0.402 0.000 1.157 415 Y CB 0.979 39.162 38.460 -0.462 0.000 1.157 415 Y HN 0.593 nan 8.280 nan 0.000 0.495 416 N N 3.129 121.618 118.700 -0.351 0.000 2.527 416 N HA 0.113 4.852 4.740 -0.001 0.000 0.236 416 N C -0.756 174.637 175.510 -0.196 0.000 0.999 416 N CA -0.330 52.606 53.050 -0.190 0.000 0.935 416 N CB 0.261 38.728 38.487 -0.032 0.000 1.132 416 N HN 0.484 nan 8.380 nan 0.000 0.511 417 Y N 0.899 121.268 120.300 0.116 0.000 2.457 417 Y HA 0.215 4.764 4.550 -0.001 0.000 0.263 417 Y C 2.104 178.064 175.900 0.100 0.000 1.164 417 Y CA -0.105 58.055 58.100 0.100 0.000 1.274 417 Y CB 0.198 38.706 38.460 0.079 0.000 1.097 417 Y HN 0.480 nan 8.280 nan 0.000 0.523 418 S N 1.168 116.990 115.700 0.204 0.000 2.346 418 S HA -0.046 4.424 4.470 -0.001 0.000 0.204 418 S C 1.170 175.866 174.600 0.160 0.000 1.008 418 S CA 1.037 59.331 58.200 0.156 0.000 0.925 418 S CB -0.227 63.035 63.200 0.103 0.000 0.903 418 S HN 0.550 nan 8.310 nan 0.000 0.537 419 N N 1.020 119.809 118.700 0.148 0.000 2.571 419 N HA 0.366 5.106 4.740 -0.001 0.000 0.298 419 N C -3.105 172.600 175.510 0.324 0.000 1.671 419 N CA -1.484 51.678 53.050 0.187 0.000 0.900 419 N CB 0.486 38.999 38.487 0.043 0.000 1.365 419 N HN 0.265 nan 8.380 nan 0.000 0.493 420 P HA 0.144 nan 4.420 nan 0.000 0.274 420 P C 0.443 177.888 177.300 0.242 0.000 1.237 420 P CA -0.596 62.629 63.100 0.207 0.000 0.793 420 P CB 1.248 32.985 31.700 0.061 0.000 0.977 421 I N 1.267 121.929 120.570 0.153 0.000 2.892 421 I HA 0.064 4.233 4.170 -0.001 0.000 0.287 421 I C -0.131 176.088 176.117 0.169 0.000 1.205 421 I CA 0.069 61.478 61.300 0.182 0.000 1.409 421 I CB -0.585 37.466 38.000 0.085 0.000 1.367 421 I HN 0.160 nan 8.210 nan 0.000 0.597 422 F N 6.644 126.606 119.950 0.020 0.000 2.450 422 F HA 0.646 5.173 4.527 -0.001 0.000 0.332 422 F C 0.468 176.167 175.800 -0.168 0.000 1.093 422 F CA -0.348 57.627 58.000 -0.040 0.000 1.003 422 F CB 1.082 40.083 39.000 0.002 0.000 1.151 422 F HN 0.474 nan 8.300 nan 0.000 0.474 423 R N 0.251 120.577 120.500 -0.289 0.000 2.902 423 R HA 0.435 4.775 4.340 -0.001 0.000 0.264 423 R C -1.419 174.382 176.300 -0.832 0.000 1.059 423 R CA -0.651 55.209 56.100 -0.401 0.000 0.935 423 R CB 1.004 31.143 30.300 -0.269 0.000 1.325 423 R HN 0.527 nan 8.270 nan 0.000 0.438 424 D N -0.824 119.293 120.400 -0.471 0.000 2.498 424 D HA 0.197 4.837 4.640 -0.001 0.000 0.223 424 D C -0.366 176.122 176.300 0.312 0.000 1.125 424 D CA -0.068 53.799 54.000 -0.221 0.000 0.835 424 D CB 0.966 41.814 40.800 0.081 0.000 1.086 424 D HN 0.140 nan 8.370 nan 0.000 0.510 425 V N 1.058 121.089 119.914 0.195 0.000 2.577 425 V HA 0.558 4.677 4.120 -0.001 0.000 0.303 425 V C -1.006 175.204 176.094 0.193 0.000 1.042 425 V CA -1.080 61.379 62.300 0.265 0.000 0.872 425 V CB 2.192 34.071 31.823 0.092 0.000 0.998 425 V HN 0.064 nan 8.190 nan 0.000 0.423 426 V N 4.162 124.189 119.914 0.188 0.000 2.638 426 V HA 0.577 4.696 4.120 -0.001 0.000 0.306 426 V C 0.265 176.269 176.094 -0.150 0.000 1.052 426 V CA -0.207 62.125 62.300 0.053 0.000 0.885 426 V CB 2.396 34.317 31.823 0.165 0.000 0.999 426 V HN 0.984 nan 8.190 nan 0.000 0.424 427 S N 3.705 119.181 115.700 -0.373 0.000 2.525 427 S HA 0.081 4.551 4.470 -0.001 0.000 0.285 427 S C 1.274 175.710 174.600 -0.273 0.000 1.283 427 S CA 0.414 58.260 58.200 -0.589 0.000 1.072 427 S CB 0.787 63.246 63.200 -1.235 0.000 0.867 427 S HN 1.206 nan 8.310 nan 0.000 0.492 428 T N 2.516 116.988 114.554 -0.138 0.000 3.144 428 T HA 0.470 4.819 4.350 -0.001 0.000 0.249 428 T C 1.259 175.970 174.700 0.017 0.000 1.089 428 T CA 0.362 62.452 62.100 -0.017 0.000 0.989 428 T CB -0.922 68.009 68.868 0.105 0.000 0.992 428 T HN 1.455 nan 8.240 nan 0.000 0.540 429 G N 1.591 110.357 108.800 -0.056 0.000 2.562 429 G HA2 -0.082 3.877 3.960 -0.001 0.000 0.250 429 G HA3 -0.082 3.877 3.960 -0.001 0.000 0.250 429 G C -0.076 174.836 174.900 0.020 0.000 1.269 429 G CA 0.136 45.224 45.100 -0.019 0.000 0.919 429 G HN 1.493 nan 8.290 nan 0.000 0.574 430 T N -2.115 112.459 114.554 0.032 0.000 2.900 430 T HA 0.758 5.107 4.350 -0.001 0.000 0.295 430 T C -1.326 173.405 174.700 0.051 0.000 1.044 430 T CA -0.523 61.599 62.100 0.037 0.000 0.995 430 T CB 3.075 71.959 68.868 0.027 0.000 1.072 430 T HN 0.528 nan 8.240 nan 0.000 0.473 431 P HA -0.012 nan 4.420 nan 0.000 0.221 431 P C 1.618 178.942 177.300 0.040 0.000 1.150 431 P CA 1.045 64.182 63.100 0.062 0.000 0.800 431 P CB -0.279 31.465 31.700 0.073 0.000 0.787 432 A N 0.983 123.822 122.820 0.031 0.000 1.948 432 A HA -0.095 4.225 4.320 -0.001 0.000 0.220 432 A C 2.356 179.953 177.584 0.021 0.000 1.177 432 A CA 2.164 54.215 52.037 0.023 0.000 0.636 432 A CB -1.445 17.566 19.000 0.019 0.000 0.815 432 A HN 0.270 nan 8.150 nan 0.000 0.449 433 A N -1.676 121.157 122.820 0.022 0.000 2.251 433 A HA 0.425 4.744 4.320 -0.001 0.000 0.209 433 A C 1.701 179.295 177.584 0.017 0.000 1.187 433 A CA 1.078 53.125 52.037 0.017 0.000 0.823 433 A CB -1.023 17.985 19.000 0.014 0.000 0.846 433 A HN 1.912 nan 8.150 nan 0.000 0.486 434 G N 0.539 109.353 108.800 0.024 0.000 2.323 434 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.292 434 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.292 434 G C -0.385 174.527 174.900 0.021 0.000 1.040 434 G CA 0.305 45.420 45.100 0.025 0.000 0.942 434 G HN 0.482 nan 8.290 nan 0.000 0.506 435 D N -0.259 120.155 120.400 0.023 0.000 2.423 435 D HA 0.259 4.898 4.640 -0.001 0.000 0.238 435 D C 0.645 176.957 176.300 0.020 0.000 1.142 435 D CA 0.322 54.329 54.000 0.012 0.000 0.884 435 D CB 0.704 41.515 40.800 0.017 0.000 1.199 435 D HN 0.221 nan 8.370 nan 0.000 0.438 436 N N 1.663 120.364 118.700 0.001 0.000 2.711 436 N HA 0.081 4.820 4.740 -0.001 0.000 0.263 436 N C -1.473 174.042 175.510 0.008 0.000 1.667 436 N CA -0.324 52.735 53.050 0.015 0.000 0.785 436 N CB 0.384 38.892 38.487 0.036 0.000 1.231 436 N HN -0.022 nan 8.380 nan 0.000 0.503 437 V N 1.450 121.386 119.914 0.036 0.000 2.599 437 V HA 0.199 4.319 4.120 -0.001 0.000 0.300 437 V C 0.480 176.650 176.094 0.128 0.000 1.034 437 V CA 0.546 62.871 62.300 0.042 0.000 1.115 437 V CB 0.771 32.610 31.823 0.028 0.000 0.934 437 V HN 0.429 nan 8.190 nan 0.000 0.485 438 T N 6.448 121.049 114.554 0.077 0.000 2.886 438 T HA 0.703 5.053 4.350 -0.001 0.000 0.292 438 T C -0.404 174.349 174.700 0.088 0.000 1.012 438 T CA -0.317 61.845 62.100 0.103 0.000 0.982 438 T CB 1.506 70.472 68.868 0.164 0.000 1.018 438 T HN 0.657 nan 8.240 nan 0.000 0.451 439 I N -0.343 120.274 120.570 0.078 0.000 3.002 439 I HA 0.858 5.027 4.170 -0.001 0.000 0.310 439 I C -0.911 175.264 176.117 0.097 0.000 1.087 439 I CA -1.314 60.019 61.300 0.054 0.000 1.017 439 I CB 2.267 40.140 38.000 -0.213 0.000 1.226 439 I HN 0.371 nan 8.210 nan 0.000 0.443 440 R N 2.960 123.551 120.500 0.152 0.000 2.604 440 R HA 0.700 5.040 4.340 -0.001 0.000 0.281 440 R C -1.760 174.712 176.300 0.287 0.000 1.020 440 R CA -0.598 55.581 56.100 0.131 0.000 0.899 440 R CB 2.481 32.826 30.300 0.075 0.000 1.205 440 R HN 0.750 nan 8.270 nan 0.000 0.450 441 F N -0.282 119.693 119.950 0.042 0.000 2.662 441 F HA 0.613 5.140 4.527 -0.001 0.000 0.312 441 F C -1.733 174.074 175.800 0.011 0.000 1.113 441 F CA -1.396 56.641 58.000 0.062 0.000 0.951 441 F CB 1.098 40.097 39.000 -0.001 0.000 1.344 441 F HN 0.189 nan 8.300 nan 0.000 0.462 442 L N 1.322 122.643 121.223 0.163 0.000 2.322 442 L HA 0.522 4.861 4.340 -0.001 0.000 0.279 442 L C 0.116 177.084 176.870 0.162 0.000 1.036 442 L CA -1.000 53.874 54.840 0.057 0.000 0.807 442 L CB 2.175 44.296 42.059 0.103 0.000 1.226 442 L HN 0.853 nan 8.230 nan 0.000 0.433 443 T N -1.750 112.854 114.554 0.083 0.000 3.455 443 T HA 0.126 4.475 4.350 -0.001 0.000 0.286 443 T C 0.540 175.368 174.700 0.212 0.000 1.157 443 T CA -0.659 61.569 62.100 0.214 0.000 1.090 443 T CB -0.926 68.023 68.868 0.134 0.000 1.112 443 T HN 0.757 nan 8.240 nan 0.000 0.779 444 N N 1.354 120.203 118.700 0.249 0.000 2.238 444 N HA 0.079 4.818 4.740 -0.001 0.000 0.222 444 N C -0.193 175.374 175.510 0.095 0.000 1.133 444 N CA -0.685 52.438 53.050 0.121 0.000 0.854 444 N CB 0.271 38.786 38.487 0.046 0.000 1.041 444 N HN 0.296 nan 8.380 nan 0.000 0.510 445 N N 1.384 120.193 118.700 0.182 0.000 2.701 445 N HA 0.283 5.023 4.740 -0.001 0.000 0.258 445 N C -3.119 172.655 175.510 0.440 0.000 1.262 445 N CA -1.462 51.699 53.050 0.186 0.000 0.780 445 N CB 1.508 39.910 38.487 -0.141 0.000 1.380 445 N HN -0.050 nan 8.380 nan 0.000 0.548 446 P HA 0.376 nan 4.420 nan 0.000 0.267 446 P C 0.016 177.431 177.300 0.192 0.000 1.209 446 P CA 0.377 63.626 63.100 0.249 0.000 0.763 446 P CB 0.711 32.495 31.700 0.139 0.000 0.816 447 G N 3.595 112.410 108.800 0.026 0.000 2.350 447 G HA2 0.247 4.206 3.960 -0.001 0.000 0.304 447 G HA3 0.247 4.206 3.960 -0.001 0.000 0.304 447 G C -3.488 171.025 174.900 -0.646 0.000 1.421 447 G CA -0.881 43.959 45.100 -0.434 0.000 0.934 447 G HN 0.236 nan 8.290 nan 0.000 0.632 448 P HA 0.468 nan 4.420 nan 0.000 0.286 448 P C -1.210 175.709 177.300 -0.637 0.000 1.269 448 P CA -0.120 62.716 63.100 -0.439 0.000 0.787 448 P CB 0.463 32.017 31.700 -0.244 0.000 0.920 449 W N 2.984 124.312 121.300 0.047 0.000 2.739 449 W HA 0.373 5.032 4.660 -0.001 0.000 0.331 449 W C -0.246 176.298 176.519 0.042 0.000 1.049 449 W CA -0.843 56.526 57.345 0.040 0.000 1.234 449 W CB 1.232 30.771 29.460 0.132 0.000 1.404 449 W HN 0.222 nan 8.180 nan 0.000 0.477 450 F N 4.150 124.023 119.950 -0.129 0.000 2.471 450 F HA 0.378 4.904 4.527 -0.001 0.000 0.353 450 F C -0.172 175.590 175.800 -0.063 0.000 1.113 450 F CA -0.989 56.840 58.000 -0.285 0.000 1.262 450 F CB 0.633 39.197 39.000 -0.726 0.000 1.146 450 F HN 0.109 nan 8.300 nan 0.000 0.578 451 L N 6.606 127.884 121.223 0.091 0.000 2.404 451 L HA 0.445 4.784 4.340 -0.001 0.000 0.272 451 L C -1.431 175.387 176.870 -0.087 0.000 0.980 451 L CA -0.194 54.659 54.840 0.023 0.000 0.836 451 L CB 1.188 43.336 42.059 0.149 0.000 1.238 451 L HN 0.775 nan 8.230 nan 0.000 0.408 452 H N 1.631 120.543 119.070 -0.263 0.000 3.014 452 H HA 0.471 5.026 4.556 -0.001 0.000 0.337 452 H C -1.104 173.607 175.328 -1.027 0.000 1.320 452 H CA -0.974 54.705 56.048 -0.615 0.000 1.128 452 H CB 0.710 29.963 29.762 -0.848 0.000 1.862 452 H HN 0.682 nan 8.280 nan 0.000 0.536 453 C N 2.057 120.470 119.300 -1.479 0.000 2.653 453 C HA 0.082 4.541 4.460 -0.001 0.000 0.421 453 C C 1.271 176.066 174.990 -0.326 0.000 1.334 453 C CA 0.061 58.276 59.018 -1.338 0.000 1.885 453 C CB -0.881 26.151 27.740 -1.180 0.000 2.645 453 C HN 0.986 nan 8.230 nan 0.000 0.601 454 H N 4.002 122.922 119.070 -0.250 0.000 2.526 454 H HA 0.303 4.858 4.556 -0.001 0.000 0.274 454 H C 0.472 175.822 175.328 0.037 0.000 0.999 454 H CA 0.240 56.316 56.048 0.046 0.000 1.157 454 H CB 0.051 29.859 29.762 0.077 0.000 1.407 454 H HN 0.647 nan 8.280 nan 0.000 0.568 455 I N 1.665 122.253 120.570 0.030 0.000 2.483 455 I HA -0.105 4.064 4.170 -0.001 0.000 0.291 455 I C 1.418 177.454 176.117 -0.135 0.000 1.112 455 I CA 0.070 61.320 61.300 -0.083 0.000 1.350 455 I CB 0.728 38.508 38.000 -0.367 0.000 1.419 455 I HN 0.009 nan 8.210 nan 0.000 0.523 456 D N 4.880 125.142 120.400 -0.230 0.000 2.178 456 D HA -0.179 4.460 4.640 -0.001 0.000 0.201 456 D C 1.767 177.885 176.300 -0.303 0.000 0.980 456 D CA 1.696 55.480 54.000 -0.361 0.000 0.842 456 D CB 0.142 40.518 40.800 -0.707 0.000 0.948 456 D HN 0.461 nan 8.370 nan 0.000 0.472 457 F N -0.181 119.759 119.950 -0.018 0.000 2.234 457 F HA -0.034 4.492 4.527 -0.001 0.000 0.299 457 F C 2.383 178.453 175.800 0.451 0.000 1.087 457 F CA 1.077 59.164 58.000 0.146 0.000 1.340 457 F CB -0.719 38.417 39.000 0.226 0.000 1.031 457 F HN 0.250 nan 8.300 nan 0.000 0.500 458 H N -0.786 118.498 119.070 0.357 0.000 2.363 458 H HA -0.076 4.480 4.556 -0.001 0.000 0.301 458 H C 2.436 177.798 175.328 0.057 0.000 1.074 458 H CA 0.729 56.840 56.048 0.104 0.000 1.354 458 H CB -0.211 29.299 29.762 -0.420 0.000 1.397 458 H HN 0.167 nan 8.280 nan 0.000 0.516 459 L N 1.224 122.505 121.223 0.097 0.000 2.013 459 L HA -0.258 4.081 4.340 -0.001 0.000 0.212 459 L C 2.537 179.464 176.870 0.095 0.000 1.073 459 L CA 1.823 56.648 54.840 -0.025 0.000 0.753 459 L CB -0.214 41.713 42.059 -0.221 0.000 0.890 459 L HN 0.308 nan 8.230 nan 0.000 0.432 460 E N 0.143 120.418 120.200 0.125 0.000 2.118 460 E HA -0.176 4.174 4.350 -0.001 0.000 0.195 460 E C 1.734 178.459 176.600 0.208 0.000 0.992 460 E CA 1.467 57.954 56.400 0.145 0.000 0.804 460 E CB -0.462 29.302 29.700 0.106 0.000 0.741 460 E HN 0.460 nan 8.360 nan 0.000 0.458 461 G N -1.291 107.714 108.800 0.341 0.000 2.956 461 G HA2 0.200 4.159 3.960 -0.001 0.000 0.207 461 G HA3 0.200 4.159 3.960 -0.001 0.000 0.207 461 G C 0.936 176.013 174.900 0.295 0.000 1.162 461 G CA 0.260 45.591 45.100 0.386 0.000 0.796 461 G HN 0.655 nan 8.290 nan 0.000 0.527 462 G N -0.962 108.003 108.800 0.275 0.000 2.134 462 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.209 462 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.209 462 G C 0.208 175.314 174.900 0.343 0.000 0.993 462 G CA -0.154 45.111 45.100 0.274 0.000 0.669 462 G HN 0.295 nan 8.290 nan 0.000 0.519 463 F N 2.093 122.077 119.950 0.057 0.000 2.659 463 F HA 0.668 5.195 4.527 -0.001 0.000 0.360 463 F C 0.638 176.369 175.800 -0.114 0.000 1.218 463 F CA -0.668 57.288 58.000 -0.073 0.000 1.317 463 F CB -0.405 38.307 39.000 -0.480 0.000 1.697 463 F HN 0.710 nan 8.300 nan 0.000 0.637 464 A N 1.883 124.791 122.820 0.146 0.000 2.604 464 A HA 0.770 5.089 4.320 -0.001 0.000 0.295 464 A C -1.389 176.237 177.584 0.071 0.000 1.067 464 A CA -0.290 51.660 52.037 -0.145 0.000 0.683 464 A CB 1.440 20.018 19.000 -0.704 0.000 1.281 464 A HN 0.475 nan 8.150 nan 0.000 0.407 465 V N -1.705 118.239 119.914 0.050 0.000 3.160 465 V HA 0.925 5.045 4.120 -0.001 0.000 0.310 465 V C -0.847 175.392 176.094 0.242 0.000 1.181 465 V CA -0.898 61.544 62.300 0.236 0.000 1.047 465 V CB 1.507 33.487 31.823 0.262 0.000 1.068 465 V HN 0.997 nan 8.190 nan 0.000 0.441 466 V N 2.000 122.095 119.914 0.301 0.000 2.459 466 V HA 0.484 4.604 4.120 -0.001 0.000 0.295 466 V C -0.510 175.720 176.094 0.226 0.000 1.029 466 V CA -0.406 62.052 62.300 0.263 0.000 0.874 466 V CB 1.532 33.483 31.823 0.215 0.000 0.985 466 V HN 0.940 nan 8.190 nan 0.000 0.438 467 Q N 3.570 123.514 119.800 0.241 0.000 2.421 467 Q HA 0.496 4.835 4.340 -0.001 0.000 0.242 467 Q C 0.034 176.177 176.000 0.238 0.000 1.024 467 Q CA -0.163 55.794 55.803 0.257 0.000 0.891 467 Q CB 1.620 30.550 28.738 0.321 0.000 1.222 467 Q HN 0.810 nan 8.270 nan 0.000 0.483 468 A N 3.365 126.287 122.820 0.169 0.000 2.391 468 A HA 0.263 4.582 4.320 -0.001 0.000 0.316 468 A C 0.005 177.677 177.584 0.147 0.000 1.381 468 A CA -0.414 51.689 52.037 0.110 0.000 0.998 468 A CB 0.116 19.160 19.000 0.074 0.000 1.147 468 A HN 0.645 nan 8.150 nan 0.000 0.545 469 E N 2.790 123.107 120.200 0.195 0.000 2.146 469 E HA 0.295 4.644 4.350 -0.001 0.000 0.282 469 E C -0.668 176.038 176.600 0.176 0.000 0.989 469 E CA -0.418 56.135 56.400 0.254 0.000 0.799 469 E CB 0.518 30.503 29.700 0.475 0.000 1.088 469 E HN 0.647 nan 8.360 nan 0.000 0.397 470 D N 3.457 123.939 120.400 0.138 0.000 2.697 470 D HA -0.168 4.471 4.640 -0.001 0.000 0.238 470 D C 0.876 177.221 176.300 0.074 0.000 1.152 470 D CA 0.939 55.001 54.000 0.102 0.000 0.666 470 D CB -1.019 39.852 40.800 0.118 0.000 1.037 470 D HN 0.340 nan 8.370 nan 0.000 0.423 471 V N -2.153 117.797 119.914 0.061 0.000 2.392 471 V HA -0.110 4.009 4.120 -0.001 0.000 0.249 471 V C -0.526 175.588 176.094 0.034 0.000 1.059 471 V CA 1.539 63.863 62.300 0.040 0.000 1.051 471 V CB -1.641 30.204 31.823 0.038 0.000 0.658 471 V HN 0.250 nan 8.190 nan 0.000 0.455 472 P HA -0.010 nan 4.420 nan 0.000 0.225 472 P C 0.818 178.136 177.300 0.031 0.000 1.148 472 P CA 1.547 64.665 63.100 0.031 0.000 0.779 472 P CB -0.110 31.609 31.700 0.031 0.000 0.780 473 D N -2.115 118.307 120.400 0.038 0.000 2.389 473 D HA 0.028 4.667 4.640 -0.001 0.000 0.206 473 D C 1.881 178.201 176.300 0.034 0.000 1.055 473 D CA 0.159 54.183 54.000 0.039 0.000 0.856 473 D CB -0.277 40.553 40.800 0.051 0.000 0.957 473 D HN -0.081 nan 8.370 nan 0.000 0.509 474 V N 1.333 121.262 119.914 0.026 0.000 2.282 474 V HA -0.297 3.822 4.120 -0.001 0.000 0.249 474 V C 2.504 178.596 176.094 -0.005 0.000 1.057 474 V CA 1.844 64.147 62.300 0.005 0.000 1.032 474 V CB -0.333 31.477 31.823 -0.022 0.000 0.645 474 V HN 0.172 nan 8.190 nan 0.000 0.447 475 K N 0.053 120.451 120.400 -0.002 0.000 2.026 475 K HA -0.181 4.139 4.320 -0.001 0.000 0.208 475 K C 2.176 178.776 176.600 0.000 0.000 1.048 475 K CA 1.670 57.952 56.287 -0.008 0.000 0.929 475 K CB -0.380 32.121 32.500 0.002 0.000 0.713 475 K HN 0.423 nan 8.250 nan 0.000 0.439 476 A N 0.150 122.978 122.820 0.013 0.000 1.930 476 A HA -0.109 4.211 4.320 -0.001 0.000 0.217 476 A C 2.149 179.750 177.584 0.028 0.000 1.175 476 A CA 2.056 54.104 52.037 0.019 0.000 0.627 476 A CB -0.822 18.192 19.000 0.023 0.000 0.815 476 A HN 0.431 nan 8.150 nan 0.000 0.443 477 T N 0.603 115.179 114.554 0.036 0.000 2.942 477 T HA -0.011 4.338 4.350 -0.001 0.000 0.265 477 T C 0.645 175.385 174.700 0.067 0.000 1.062 477 T CA 0.916 63.049 62.100 0.055 0.000 1.139 477 T CB -0.211 68.696 68.868 0.066 0.000 0.883 477 T HN 0.499 nan 8.240 nan 0.000 0.468 478 N N 2.424 121.155 118.700 0.052 0.000 3.012 478 N HA 0.210 4.950 4.740 -0.001 0.000 0.270 478 N C -3.005 172.538 175.510 0.055 0.000 1.469 478 N CA -1.014 52.091 53.050 0.092 0.000 0.928 478 N CB 1.292 39.818 38.487 0.065 0.000 1.219 478 N HN 0.317 nan 8.380 nan 0.000 0.492 479 P HA -0.012 nan 4.420 nan 0.000 0.268 479 P C 0.211 177.405 177.300 -0.178 0.000 1.204 479 P CA -0.050 63.023 63.100 -0.045 0.000 0.768 479 P CB 1.007 32.700 31.700 -0.013 0.000 0.842 480 V N 1.713 121.432 119.914 -0.326 0.000 2.532 480 V HA 0.610 4.729 4.120 -0.001 0.000 0.295 480 V C -2.088 173.718 176.094 -0.480 0.000 1.041 480 V CA -2.415 59.481 62.300 -0.674 0.000 0.926 480 V CB 0.941 32.350 31.823 -0.689 0.000 0.992 480 V HN 0.434 nan 8.190 nan 0.000 0.457 481 P HA 0.236 nan 4.420 nan 0.000 0.277 481 P C 0.278 177.508 177.300 -0.117 0.000 1.240 481 P CA -0.238 62.651 63.100 -0.353 0.000 0.798 481 P CB 1.524 32.941 31.700 -0.472 0.000 0.979 482 Q N 2.746 122.516 119.800 -0.050 0.000 2.133 482 Q HA -0.241 4.098 4.340 -0.001 0.000 0.208 482 Q C 1.998 178.035 176.000 0.060 0.000 0.991 482 Q CA 2.820 58.630 55.803 0.012 0.000 0.867 482 Q CB -1.293 27.447 28.738 0.004 0.000 0.911 482 Q HN 0.591 nan 8.270 nan 0.000 0.417 483 A N -0.947 121.926 122.820 0.089 0.000 1.933 483 A HA -0.178 4.141 4.320 -0.001 0.000 0.218 483 A C 1.929 179.683 177.584 0.284 0.000 1.175 483 A CA 1.429 53.588 52.037 0.203 0.000 0.628 483 A CB -1.284 17.869 19.000 0.255 0.000 0.814 483 A HN 0.731 nan 8.150 nan 0.000 0.444 484 W N 1.152 122.532 121.300 0.135 0.000 2.354 484 W HA -0.165 4.494 4.660 -0.001 0.000 0.315 484 W C 2.410 178.868 176.519 -0.101 0.000 1.206 484 W CA 2.103 59.447 57.345 -0.003 0.000 1.290 484 W CB -0.351 29.067 29.460 -0.070 0.000 1.152 484 W HN 0.280 nan 8.180 nan 0.000 0.489 485 S N 0.380 116.190 115.700 0.184 0.000 2.402 485 S HA -0.232 4.238 4.470 -0.001 0.000 0.233 485 S C 1.062 175.564 174.600 -0.163 0.000 1.030 485 S CA 1.770 59.967 58.200 -0.006 0.000 1.003 485 S CB -0.512 62.750 63.200 0.102 0.000 0.813 485 S HN 0.315 nan 8.310 nan 0.000 0.477 486 D N 0.707 121.035 120.400 -0.121 0.000 2.347 486 D HA 0.145 4.785 4.640 -0.001 0.000 0.213 486 D C 1.655 177.831 176.300 -0.207 0.000 0.985 486 D CA 0.178 54.107 54.000 -0.119 0.000 0.879 486 D CB -0.090 40.690 40.800 -0.034 0.000 0.919 486 D HN 0.333 nan 8.370 nan 0.000 0.526 487 L N -0.103 120.907 121.223 -0.356 0.000 2.027 487 L HA -0.161 4.179 4.340 -0.001 0.000 0.206 487 L C 2.447 179.126 176.870 -0.319 0.000 1.074 487 L CA 0.882 55.469 54.840 -0.422 0.000 0.745 487 L CB -0.301 41.342 42.059 -0.693 0.000 0.898 487 L HN 0.124 nan 8.230 nan 0.000 0.433 488 c N -0.214 118.173 118.600 -0.354 0.000 2.462 488 c HA -0.064 4.505 4.570 -0.001 0.000 0.278 488 c C 0.321 174.361 174.090 -0.082 0.000 1.253 488 c CA 0.536 56.750 56.329 -0.192 0.000 1.713 488 c CB -1.653 40.724 42.510 -0.221 0.000 2.049 488 c HN 0.357 nan 8.230 nan 0.000 0.477 489 P HA -0.100 nan 4.420 nan 0.000 0.216 489 P C 1.512 178.771 177.300 -0.068 0.000 1.153 489 P CA 1.976 65.035 63.100 -0.068 0.000 0.858 489 P CB -0.336 31.324 31.700 -0.068 0.000 0.789 490 T N -1.571 112.921 114.554 -0.104 0.000 2.708 490 T HA -0.209 4.140 4.350 -0.001 0.000 0.266 490 T C 1.665 176.301 174.700 -0.106 0.000 1.037 490 T CA 1.326 63.339 62.100 -0.144 0.000 1.146 490 T CB -1.153 67.537 68.868 -0.295 0.000 0.865 490 T HN 0.082 nan 8.240 nan 0.000 0.435 491 Y N 2.248 122.443 120.300 -0.174 0.000 2.145 491 Y HA -0.162 4.387 4.550 -0.001 0.000 0.286 491 Y C 1.994 177.867 175.900 -0.045 0.000 1.145 491 Y CA 1.494 59.530 58.100 -0.107 0.000 1.148 491 Y CB -0.350 38.043 38.460 -0.112 0.000 0.981 491 Y HN 0.141 nan 8.280 nan 0.000 0.507 492 D N -0.107 120.284 120.400 -0.015 0.000 2.310 492 D HA -0.071 4.568 4.640 -0.001 0.000 0.212 492 D C 1.909 178.142 176.300 -0.113 0.000 0.965 492 D CA 1.120 55.082 54.000 -0.063 0.000 0.879 492 D CB -0.296 40.517 40.800 0.022 0.000 0.921 492 D HN 0.482 nan 8.370 nan 0.000 0.510 493 A N 0.265 123.020 122.820 -0.108 0.000 2.208 493 A HA -0.018 4.301 4.320 -0.001 0.000 0.209 493 A C 0.930 178.450 177.584 -0.107 0.000 1.161 493 A CA -0.127 51.857 52.037 -0.088 0.000 0.782 493 A CB -0.063 18.902 19.000 -0.057 0.000 0.816 493 A HN 0.032 nan 8.150 nan 0.000 0.477 494 N N 1.204 119.798 118.700 -0.176 0.000 2.492 494 N HA 0.336 5.075 4.740 -0.001 0.000 0.260 494 N C 0.177 175.595 175.510 -0.153 0.000 1.215 494 N CA 0.623 53.570 53.050 -0.172 0.000 0.923 494 N CB 0.810 39.135 38.487 -0.271 0.000 1.092 494 N HN 0.329 nan 8.380 nan 0.000 0.448 495 A N 3.977 126.732 122.820 -0.109 0.000 2.546 495 A HA 0.117 4.437 4.320 -0.001 0.000 0.243 495 A C -0.854 176.645 177.584 -0.142 0.000 1.063 495 A CA -0.801 51.172 52.037 -0.107 0.000 0.757 495 A CB 0.040 18.988 19.000 -0.087 0.000 0.991 495 A HN 0.518 nan 8.150 nan 0.000 0.503 496 P HA -0.132 nan 4.420 nan 0.000 0.218 496 P C 1.192 178.346 177.300 -0.243 0.000 1.146 496 P CA 1.609 64.631 63.100 -0.131 0.000 0.813 496 P CB 0.088 31.740 31.700 -0.081 0.000 0.778 497 S N -0.699 114.806 115.700 -0.325 0.000 2.607 497 S HA -0.027 4.442 4.470 -0.001 0.000 0.224 497 S C 1.035 175.349 174.600 -0.476 0.000 0.969 497 S CA 0.688 58.517 58.200 -0.618 0.000 0.927 497 S CB -0.475 62.524 63.200 -0.335 0.000 0.772 497 S HN 0.164 nan 8.310 nan 0.000 0.533 498 D N 1.053 121.325 120.400 -0.214 0.000 2.395 498 D HA 0.170 4.809 4.640 -0.001 0.000 0.213 498 D C 0.696 177.025 176.300 0.048 0.000 1.110 498 D CA 0.094 54.065 54.000 -0.049 0.000 0.835 498 D CB 0.269 41.050 40.800 -0.033 0.000 0.965 498 D HN 0.442 nan 8.370 nan 0.000 0.505 499 Q N 0.000 119.844 119.800 0.073 0.000 2.315 499 Q HA 0.000 4.339 4.340 -0.001 0.000 0.214 499 Q CA 0.000 55.926 55.803 0.206 0.000 1.022 499 Q CB 0.000 28.856 28.738 0.196 0.000 1.108 499 Q HN 0.000 nan 8.270 nan 0.000 0.481