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 2v5r_1_B DATA FIRST_RESID 1 DATA SEQUENCE QKGPVFLKEP TNRIDFSNST GAEIEcKASG NPMPEIIWIR SDGTAVGDVP DATA SEQUENCE GLRQISSDGK LVFPPFRAED YRQEVHAQVY AcLARNQFGS IISRDVHVRA DATA SEQUENCE VVIQSYESEA DNEYVIRGNS VVMKcEIPSY VADFVFVDLW LDSEGRNYYP DATA SEQUENCE NNAAETDGKY LVLPSGELHI REVGPEDGYK SYQcRTKHRL TGETRLSATK DATA SEQUENCE GRLVITEPVG SVRPKVNPQD KHQFIDVELA SSYSLLcMAQ SYPTPSFRWY DATA SEQUENCE KFIEGTTRKQ AVVLNDRVKQ VSGTLIIKDA VVEDSGKYLc VVNNSVGGES DATA SEQUENCE VETVLTVTAP LSAKIDPPTQ TVDFGRPAVF TCQYTGNPIK TVSWMKDGKA DATA SEQUENCE IGHSESVLRI ESVKKEDKGM YQCFVRNDRE SAEASAELKL G VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 Q HA 0.000 nan 4.340 nan 0.000 0.214 1 Q C 0.000 175.963 176.000 -0.061 0.000 1.003 1 Q CA 0.000 55.794 55.803 -0.014 0.000 1.022 1 Q CB 0.000 28.741 28.738 0.005 0.000 1.108 2 K N 1.293 121.672 120.400 -0.034 0.000 2.156 2 K HA 0.639 4.959 4.320 0.001 0.000 0.254 2 K C 0.147 176.706 176.600 -0.069 0.000 0.950 2 K CA -0.000 56.253 56.287 -0.056 0.000 0.849 2 K CB 1.391 33.880 32.500 -0.020 0.000 1.100 2 K HN 0.288 nan 8.250 nan 0.000 0.434 3 G N 2.190 110.923 108.800 -0.111 0.000 2.510 3 G HA2 0.375 4.336 3.960 0.001 0.000 0.280 3 G HA3 0.375 4.336 3.960 0.001 0.000 0.280 3 G C -2.284 172.611 174.900 -0.008 0.000 1.386 3 G CA -0.903 44.179 45.100 -0.031 0.000 1.047 3 G HN 0.289 nan 8.290 nan 0.000 0.527 4 P HA 0.415 nan 4.420 nan 0.000 0.300 4 P C -0.501 176.717 177.300 -0.136 0.000 1.294 4 P CA -0.231 62.809 63.100 -0.101 0.000 0.757 4 P CB 0.523 32.135 31.700 -0.146 0.000 1.377 5 V N -2.779 116.980 119.914 -0.259 0.000 2.456 5 V HA 0.003 4.123 4.120 0.001 0.000 0.284 5 V C -1.543 174.388 176.094 -0.271 0.000 1.782 5 V CA -0.556 61.615 62.300 -0.215 0.000 0.792 5 V CB 0.139 31.915 31.823 -0.080 0.000 1.319 5 V HN 0.220 nan 8.190 nan 0.000 0.370 6 F N 4.478 124.412 119.950 -0.027 0.000 2.404 6 F HA 0.569 5.096 4.527 0.001 0.000 0.358 6 F C 0.661 176.446 175.800 -0.024 0.000 1.120 6 F CA 0.185 58.165 58.000 -0.033 0.000 1.144 6 F CB 1.432 40.401 39.000 -0.052 0.000 1.133 6 F HN 0.469 nan 8.300 nan 0.000 0.495 7 L N 2.088 123.427 121.223 0.193 0.000 2.296 7 L HA 0.219 4.559 4.340 0.001 0.000 0.193 7 L C 0.335 177.273 176.870 0.114 0.000 1.123 7 L CA 0.369 55.278 54.840 0.114 0.000 0.805 7 L CB 0.142 42.243 42.059 0.070 0.000 1.004 7 L HN 0.272 nan 8.230 nan 0.000 0.478 8 K N 1.703 122.179 120.400 0.126 0.000 2.250 8 K HA 0.212 4.533 4.320 0.001 0.000 0.280 8 K C -0.884 175.768 176.600 0.085 0.000 1.098 8 K CA 0.180 56.523 56.287 0.094 0.000 0.916 8 K CB 0.812 33.366 32.500 0.089 0.000 1.209 8 K HN 0.074 nan 8.250 nan 0.000 0.461 9 E N 2.911 123.107 120.200 -0.007 0.000 2.207 9 E HA 0.382 4.733 4.350 0.001 0.000 0.270 9 E C -2.360 174.172 176.600 -0.112 0.000 0.927 9 E CA -2.536 53.755 56.400 -0.181 0.000 0.799 9 E CB 1.270 30.769 29.700 -0.334 0.000 1.172 9 E HN 0.198 nan 8.360 nan 0.000 0.404 10 P HA 0.121 nan 4.420 nan 0.000 0.288 10 P C -0.903 176.393 177.300 -0.006 0.000 1.363 10 P CA -0.522 62.576 63.100 -0.003 0.000 0.837 10 P CB 0.521 32.266 31.700 0.075 0.000 0.981 11 T N 0.661 115.222 114.554 0.012 0.000 2.849 11 T HA -0.079 4.272 4.350 0.001 0.000 0.289 11 T C 1.348 176.079 174.700 0.051 0.000 1.010 11 T CA -0.245 61.864 62.100 0.015 0.000 1.161 11 T CB 0.267 69.147 68.868 0.020 0.000 0.989 11 T HN 0.278 nan 8.240 nan 0.000 0.523 12 N N 3.589 122.317 118.700 0.046 0.000 2.019 12 N HA -0.198 4.543 4.740 0.001 0.000 0.198 12 N C 0.570 176.187 175.510 0.178 0.000 1.065 12 N CA 1.380 54.494 53.050 0.107 0.000 0.881 12 N CB -0.248 38.294 38.487 0.093 0.000 1.079 12 N HN 0.695 nan 8.380 nan 0.000 0.460 13 R N 0.456 121.034 120.500 0.130 0.000 2.442 13 R HA 0.241 4.582 4.340 0.001 0.000 0.291 13 R C -0.464 175.927 176.300 0.152 0.000 1.069 13 R CA -0.002 56.179 56.100 0.135 0.000 1.022 13 R CB 0.821 31.135 30.300 0.022 0.000 0.976 13 R HN 0.317 nan 8.270 nan 0.000 0.443 14 I N 3.457 124.151 120.570 0.207 0.000 2.534 14 I HA 0.241 4.411 4.170 0.001 0.000 0.286 14 I C -0.831 175.485 176.117 0.330 0.000 1.094 14 I CA -0.710 60.715 61.300 0.208 0.000 1.055 14 I CB 1.771 39.861 38.000 0.151 0.000 1.225 14 I HN 0.625 nan 8.210 nan 0.000 0.435 15 D N 7.392 128.005 120.400 0.356 0.000 2.490 15 D HA 0.798 5.438 4.640 0.001 0.000 0.232 15 D C -0.512 176.095 176.300 0.512 0.000 1.053 15 D CA 0.015 54.279 54.000 0.440 0.000 0.914 15 D CB 3.010 43.993 40.800 0.305 0.000 1.431 15 D HN 0.353 nan 8.370 nan 0.000 0.483 16 F N -1.940 118.042 119.950 0.053 0.000 3.548 16 F HA 0.523 5.050 4.527 0.001 0.000 0.326 16 F C -1.669 174.144 175.800 0.022 0.000 1.036 16 F CA -0.982 57.038 58.000 0.033 0.000 0.820 16 F CB 0.969 39.999 39.000 0.050 0.000 1.590 16 F HN 0.399 nan 8.300 nan 0.000 0.460 17 S N -0.112 115.583 115.700 -0.008 0.000 2.595 17 S HA 0.430 4.901 4.470 0.001 0.000 0.270 17 S C -1.719 172.824 174.600 -0.095 0.000 1.145 17 S CA -0.970 57.138 58.200 -0.154 0.000 0.825 17 S CB 0.941 64.024 63.200 -0.195 0.000 1.107 17 S HN 1.344 nan 8.310 nan 0.000 0.461 18 N N 0.886 119.320 118.700 -0.443 0.000 2.226 18 N HA 0.069 4.810 4.740 0.001 0.000 0.232 18 N C 0.428 175.757 175.510 -0.303 0.000 1.255 18 N CA 0.919 53.558 53.050 -0.685 0.000 0.855 18 N CB -0.761 37.055 38.487 -1.118 0.000 1.095 18 N HN 1.434 nan 8.380 nan 0.000 0.444 19 S N -3.028 112.542 115.700 -0.217 0.000 3.261 19 S HA -0.220 4.251 4.470 0.001 0.000 0.287 19 S C 0.704 175.269 174.600 -0.058 0.000 1.281 19 S CA 1.566 59.692 58.200 -0.123 0.000 1.053 19 S CB -2.112 61.004 63.200 -0.141 0.000 1.251 19 S HN 1.117 nan 8.310 nan 0.000 0.659 20 T N -1.906 112.642 114.554 -0.009 0.000 3.647 20 T HA 0.409 4.760 4.350 0.001 0.000 0.301 20 T C 1.046 175.825 174.700 0.131 0.000 0.876 20 T CA 1.634 63.764 62.100 0.051 0.000 1.051 20 T CB -0.366 68.531 68.868 0.049 0.000 1.154 20 T HN 2.043 nan 8.240 nan 0.000 0.547 21 G N 1.940 110.887 108.800 0.245 0.000 2.622 21 G HA2 0.291 4.252 3.960 0.001 0.000 0.272 21 G HA3 0.291 4.252 3.960 0.001 0.000 0.272 21 G C 0.227 175.275 174.900 0.247 0.000 1.308 21 G CA 0.266 45.631 45.100 0.442 0.000 0.919 21 G HN 1.783 nan 8.290 nan 0.000 0.565 22 A N -1.379 121.424 122.820 -0.027 0.000 2.588 22 A HA 0.972 5.292 4.320 0.001 0.000 0.309 22 A C -0.587 176.909 177.584 -0.147 0.000 1.173 22 A CA 0.747 52.627 52.037 -0.262 0.000 0.631 22 A CB 1.047 19.571 19.000 -0.794 0.000 1.364 22 A HN 2.395 nan 8.150 nan 0.000 0.526 23 E N -0.502 119.600 120.200 -0.163 0.000 2.419 23 E HA 0.501 4.851 4.350 0.001 0.000 0.285 23 E C -1.395 175.131 176.600 -0.124 0.000 1.079 23 E CA -0.853 55.475 56.400 -0.120 0.000 0.864 23 E CB 0.997 30.634 29.700 -0.105 0.000 1.216 23 E HN 1.048 nan 8.360 nan 0.000 0.428 24 I N -0.246 120.213 120.570 -0.184 0.000 2.382 24 I HA 0.444 4.614 4.170 0.001 0.000 0.286 24 I C -0.328 175.866 176.117 0.128 0.000 1.002 24 I CA -0.626 60.634 61.300 -0.066 0.000 1.135 24 I CB 1.305 39.236 38.000 -0.115 0.000 1.288 24 I HN 0.814 nan 8.210 nan 0.000 0.448 25 E N 6.082 126.393 120.200 0.184 0.000 1.996 25 E HA 0.245 4.595 4.350 0.001 0.000 0.280 25 E C -1.477 175.290 176.600 0.278 0.000 1.092 25 E CA -0.236 56.290 56.400 0.210 0.000 0.862 25 E CB 1.087 30.858 29.700 0.117 0.000 1.066 25 E HN 0.785 nan 8.360 nan 0.000 0.396 26 c N 6.508 125.329 118.600 0.368 0.000 2.346 26 c HA 0.505 5.076 4.570 0.001 0.000 0.326 26 c C -0.960 173.247 174.090 0.196 0.000 1.224 26 c CA -0.597 55.863 56.329 0.218 0.000 1.408 26 c CB -0.089 42.430 42.510 0.015 0.000 2.089 26 c HN 0.724 nan 8.230 nan 0.000 0.456 27 K N 4.671 125.172 120.400 0.168 0.000 2.371 27 K HA 0.824 5.144 4.320 0.001 0.000 0.251 27 K C -0.542 176.137 176.600 0.132 0.000 0.934 27 K CA -0.325 56.041 56.287 0.130 0.000 0.798 27 K CB 2.150 34.709 32.500 0.100 0.000 1.204 27 K HN 0.699 nan 8.250 nan 0.000 0.427 28 A N 1.113 123.965 122.820 0.054 0.000 2.344 28 A HA 0.771 5.091 4.320 0.001 0.000 0.307 28 A C -0.629 176.926 177.584 -0.048 0.000 1.151 28 A CA -0.636 51.373 52.037 -0.046 0.000 0.842 28 A CB 1.341 20.208 19.000 -0.222 0.000 1.350 28 A HN 0.724 nan 8.150 nan 0.000 0.459 29 S N -1.237 114.409 115.700 -0.091 0.000 2.568 29 S HA 0.941 5.412 4.470 0.001 0.000 0.293 29 S C -0.178 174.388 174.600 -0.057 0.000 1.089 29 S CA 0.008 58.179 58.200 -0.049 0.000 0.945 29 S CB 1.639 64.821 63.200 -0.029 0.000 1.077 29 S HN 2.529 nan 8.310 nan 0.000 0.485 30 G N 0.605 109.391 108.800 -0.023 0.000 2.315 30 G HA2 0.305 4.265 3.960 0.001 0.000 0.294 30 G HA3 0.305 4.265 3.960 0.001 0.000 0.294 30 G C -0.936 173.973 174.900 0.016 0.000 1.300 30 G CA -0.252 44.845 45.100 -0.005 0.000 0.843 30 G HN 1.175 nan 8.290 nan 0.000 0.527 31 N N -0.622 118.102 118.700 0.039 0.000 2.240 31 N HA 0.321 5.061 4.740 0.001 0.000 0.240 31 N C -1.229 174.319 175.510 0.063 0.000 1.277 31 N CA -0.463 52.613 53.050 0.043 0.000 0.873 31 N CB 1.002 39.509 38.487 0.033 0.000 1.222 31 N HN 0.293 nan 8.380 nan 0.000 0.507 32 P HA 0.246 nan 4.420 nan 0.000 0.200 32 P C -0.257 177.060 177.300 0.029 0.000 1.198 32 P CA 0.436 63.565 63.100 0.049 0.000 0.892 32 P CB 0.400 32.126 31.700 0.043 0.000 0.724 33 M N -1.759 117.853 119.600 0.021 0.000 2.638 33 M HA 0.127 4.608 4.480 0.001 0.000 0.140 33 M C -2.948 173.351 176.300 -0.002 0.000 0.876 33 M CA -1.126 54.179 55.300 0.009 0.000 0.677 33 M CB 0.328 32.933 32.600 0.009 0.000 2.797 33 M HN -0.121 nan 8.290 nan 0.000 0.339 34 P HA 0.033 nan 4.420 nan 0.000 0.258 34 P C -0.441 176.844 177.300 -0.025 0.000 1.172 34 P CA 0.522 63.600 63.100 -0.037 0.000 0.762 34 P CB 0.189 31.837 31.700 -0.087 0.000 0.764 35 E N 3.229 123.418 120.200 -0.018 0.000 2.052 35 E HA 0.263 4.613 4.350 0.001 0.000 0.283 35 E C -0.601 175.999 176.600 0.000 0.000 1.071 35 E CA -0.727 55.672 56.400 -0.001 0.000 0.851 35 E CB 0.082 29.783 29.700 0.002 0.000 1.066 35 E HN 0.244 nan 8.360 nan 0.000 0.396 36 I N 5.138 125.720 120.570 0.019 0.000 2.483 36 I HA 0.047 4.218 4.170 0.001 0.000 0.291 36 I C 0.102 176.251 176.117 0.053 0.000 1.112 36 I CA 0.295 61.606 61.300 0.019 0.000 1.350 36 I CB -0.233 37.799 38.000 0.053 0.000 1.419 36 I HN 0.548 nan 8.210 nan 0.000 0.523 37 I N 4.941 125.523 120.570 0.019 0.000 2.612 37 I HA 0.246 4.416 4.170 0.001 0.000 0.295 37 I C -0.515 175.623 176.117 0.035 0.000 1.011 37 I CA -0.622 60.718 61.300 0.067 0.000 1.326 37 I CB 0.902 38.930 38.000 0.047 0.000 1.427 37 I HN 0.433 nan 8.210 nan 0.000 0.537 38 W N 5.818 127.132 121.300 0.023 0.000 2.529 38 W HA 0.669 5.330 4.660 0.001 0.000 0.321 38 W C -0.201 176.351 176.519 0.054 0.000 1.047 38 W CA -0.349 57.014 57.345 0.030 0.000 1.216 38 W CB 1.475 30.912 29.460 -0.038 0.000 1.357 38 W HN 0.241 nan 8.180 nan 0.000 0.489 39 I N -0.208 120.536 120.570 0.290 0.000 3.145 39 I HA 0.715 4.885 4.170 0.001 0.000 0.313 39 I C -0.441 175.872 176.117 0.327 0.000 1.122 39 I CA -1.813 59.629 61.300 0.236 0.000 0.987 39 I CB 1.823 39.896 38.000 0.122 0.000 1.236 39 I HN 0.157 nan 8.210 nan 0.000 0.453 40 R N 1.191 121.833 120.500 0.236 0.000 2.531 40 R HA 0.254 4.594 4.340 0.001 0.000 0.273 40 R C 1.280 177.628 176.300 0.079 0.000 1.070 40 R CA 0.411 56.599 56.100 0.147 0.000 1.112 40 R CB 1.029 31.368 30.300 0.065 0.000 1.049 40 R HN 0.803 nan 8.270 nan 0.000 0.508 41 S N -0.217 115.500 115.700 0.028 0.000 2.584 41 S HA -0.141 4.330 4.470 0.001 0.000 0.240 41 S C 0.298 174.894 174.600 -0.005 0.000 0.975 41 S CA 0.932 59.139 58.200 0.013 0.000 0.949 41 S CB -0.524 62.672 63.200 -0.008 0.000 0.761 41 S HN 0.722 nan 8.310 nan 0.000 0.536 42 D N 0.035 120.434 120.400 -0.002 0.000 2.881 42 D HA 0.484 5.125 4.640 0.001 0.000 0.240 42 D C 1.297 177.600 176.300 0.005 0.000 1.249 42 D CA 0.138 54.135 54.000 -0.006 0.000 0.839 42 D CB -0.293 40.502 40.800 -0.008 0.000 1.042 42 D HN 0.281 nan 8.370 nan 0.000 0.475 43 G N 0.766 109.571 108.800 0.008 0.000 4.039 43 G HA2 -0.366 3.594 3.960 0.001 0.000 0.220 43 G HA3 -0.366 3.594 3.960 0.001 0.000 0.220 43 G C 0.712 175.630 174.900 0.030 0.000 1.391 43 G CA 0.416 45.523 45.100 0.012 0.000 0.920 43 G HN 0.817 nan 8.290 nan 0.000 0.599 44 T N 1.173 115.747 114.554 0.034 0.000 2.902 44 T HA 0.627 4.977 4.350 0.001 0.000 0.301 44 T C 0.699 175.444 174.700 0.075 0.000 1.012 44 T CA 0.611 62.738 62.100 0.045 0.000 1.151 44 T CB 1.609 70.500 68.868 0.039 0.000 0.946 44 T HN 1.798 nan 8.240 nan 0.000 0.542 45 A N 3.081 125.946 122.820 0.074 0.000 2.327 45 A HA 0.599 4.919 4.320 0.001 0.000 0.255 45 A C 0.758 178.408 177.584 0.111 0.000 1.099 45 A CA -0.558 51.541 52.037 0.103 0.000 0.801 45 A CB 0.035 19.085 19.000 0.083 0.000 1.062 45 A HN 1.545 nan 8.150 nan 0.000 0.496 46 V N -0.474 119.521 119.914 0.135 0.000 2.617 46 V HA 0.807 4.927 4.120 0.001 0.000 0.298 46 V C 0.659 176.771 176.094 0.029 0.000 1.048 46 V CA 0.070 62.432 62.300 0.103 0.000 0.964 46 V CB 0.796 32.686 31.823 0.111 0.000 1.004 46 V HN 1.220 nan 8.190 nan 0.000 0.466 47 G N 2.270 111.070 108.800 -0.000 0.000 2.882 47 G HA2 0.478 4.439 3.960 0.001 0.000 0.164 47 G HA3 0.478 4.439 3.960 0.001 0.000 0.164 47 G C -1.252 173.599 174.900 -0.082 0.000 1.429 47 G CA -0.146 44.936 45.100 -0.030 0.000 1.059 47 G HN 0.851 nan 8.290 nan 0.000 0.581 48 D N -1.181 119.170 120.400 -0.081 0.000 2.575 48 D HA 0.448 5.088 4.640 0.001 0.000 0.250 48 D C -0.916 175.325 176.300 -0.099 0.000 1.279 48 D CA -0.282 53.651 54.000 -0.112 0.000 0.925 48 D CB 1.957 42.703 40.800 -0.091 0.000 1.261 48 D HN 0.122 nan 8.370 nan 0.000 0.567 49 V N 5.681 125.518 119.914 -0.129 0.000 2.318 49 V HA 0.364 4.484 4.120 0.001 0.000 0.271 49 V C -1.998 174.044 176.094 -0.085 0.000 1.030 49 V CA -1.752 60.487 62.300 -0.101 0.000 0.844 49 V CB 1.189 32.940 31.823 -0.120 0.000 1.015 49 V HN 0.526 nan 8.190 nan 0.000 0.460 50 P HA 0.147 nan 4.420 nan 0.000 0.257 50 P C 0.982 178.275 177.300 -0.012 0.000 1.189 50 P CA 1.407 64.487 63.100 -0.032 0.000 0.780 50 P CB 0.247 31.936 31.700 -0.019 0.000 0.772 51 G N 1.837 110.635 108.800 -0.002 0.000 2.184 51 G HA2 -0.195 3.766 3.960 0.001 0.000 0.206 51 G HA3 -0.195 3.766 3.960 0.001 0.000 0.206 51 G C 0.103 175.056 174.900 0.088 0.000 0.995 51 G CA 0.148 45.275 45.100 0.047 0.000 0.651 51 G HN 0.472 nan 8.290 nan 0.000 0.511 52 L N -1.900 119.337 121.223 0.023 0.000 3.313 52 L HA 0.539 4.879 4.340 0.001 0.000 0.222 52 L C 1.097 177.861 176.870 -0.177 0.000 1.519 52 L CA -0.941 53.925 54.840 0.044 0.000 2.125 52 L CB -0.120 41.950 42.059 0.018 0.000 2.091 52 L HN 0.019 nan 8.230 nan 0.000 0.708 53 R N 1.365 121.649 120.500 -0.359 0.000 2.522 53 R HA 0.216 4.557 4.340 0.001 0.000 0.284 53 R C -1.200 174.826 176.300 -0.456 0.000 1.032 53 R CA 0.576 56.264 56.100 -0.687 0.000 1.049 53 R CB 0.334 30.274 30.300 -0.600 0.000 0.956 53 R HN 0.375 nan 8.270 nan 0.000 0.422 54 Q N 3.659 123.155 119.800 -0.506 0.000 2.313 54 Q HA 0.221 4.562 4.340 0.001 0.000 0.260 54 Q C -1.279 174.525 176.000 -0.327 0.000 0.972 54 Q CA -0.677 54.934 55.803 -0.321 0.000 0.886 54 Q CB 2.127 30.735 28.738 -0.218 0.000 1.373 54 Q HN 0.538 nan 8.270 nan 0.000 0.416 55 I N 2.058 122.481 120.570 -0.244 0.000 2.483 55 I HA 0.006 4.176 4.170 0.001 0.000 0.291 55 I C 0.864 176.891 176.117 -0.151 0.000 1.112 55 I CA 0.864 62.041 61.300 -0.206 0.000 1.350 55 I CB 0.559 38.491 38.000 -0.114 0.000 1.419 55 I HN 0.547 nan 8.210 nan 0.000 0.523 56 S N 3.522 119.122 115.700 -0.168 0.000 2.463 56 S HA 0.230 4.700 4.470 0.001 0.000 0.241 56 S C 1.331 175.898 174.600 -0.055 0.000 1.299 56 S CA 0.498 58.634 58.200 -0.107 0.000 0.979 56 S CB 0.457 63.590 63.200 -0.112 0.000 0.950 56 S HN 0.669 nan 8.310 nan 0.000 0.516 57 S N -0.301 115.382 115.700 -0.030 0.000 3.597 57 S HA 0.244 4.715 4.470 0.001 0.000 0.206 57 S C 0.031 174.643 174.600 0.020 0.000 0.948 57 S CA -0.394 57.805 58.200 -0.001 0.000 0.863 57 S CB -0.546 62.652 63.200 -0.003 0.000 1.015 57 S HN 0.755 nan 8.310 nan 0.000 0.616 58 D N 2.782 123.191 120.400 0.015 0.000 2.685 58 D HA 0.190 4.830 4.640 0.001 0.000 0.230 58 D C 0.651 176.981 176.300 0.050 0.000 1.098 58 D CA 0.622 54.639 54.000 0.029 0.000 1.246 58 D CB -0.864 39.947 40.800 0.018 0.000 1.136 58 D HN 0.667 nan 8.370 nan 0.000 0.472 59 G N 2.716 111.564 108.800 0.081 0.000 2.371 59 G HA2 -0.292 3.669 3.960 0.001 0.000 0.299 59 G HA3 -0.292 3.669 3.960 0.001 0.000 0.299 59 G C 0.024 175.024 174.900 0.165 0.000 1.014 59 G CA 1.075 46.258 45.100 0.138 0.000 1.097 59 G HN 0.613 nan 8.290 nan 0.000 0.512 60 K N -1.982 118.488 120.400 0.117 0.000 2.680 60 K HA 0.726 5.046 4.320 0.001 0.000 0.295 60 K C -1.697 174.745 176.600 -0.262 0.000 1.052 60 K CA -1.351 54.935 56.287 -0.002 0.000 0.863 60 K CB 1.346 33.830 32.500 -0.026 0.000 1.549 60 K HN 0.575 nan 8.250 nan 0.000 0.391 61 L N 1.368 122.291 121.223 -0.500 0.000 2.518 61 L HA 0.333 4.673 4.340 0.001 0.000 0.262 61 L C -1.713 174.836 176.870 -0.535 0.000 0.982 61 L CA -0.458 53.960 54.840 -0.702 0.000 0.873 61 L CB 1.982 43.239 42.059 -1.336 0.000 1.198 61 L HN 0.541 nan 8.230 nan 0.000 0.427 62 V N 4.644 124.308 119.914 -0.417 0.000 2.432 62 V HA 0.321 4.442 4.120 0.001 0.000 0.275 62 V C -0.157 175.721 176.094 -0.360 0.000 1.043 62 V CA -0.033 62.101 62.300 -0.275 0.000 0.925 62 V CB 0.922 32.649 31.823 -0.160 0.000 0.985 62 V HN 0.500 nan 8.190 nan 0.000 0.466 63 F N 5.843 125.701 119.950 -0.155 0.000 2.359 63 F HA 0.404 4.931 4.527 0.001 0.000 0.355 63 F C -1.874 174.007 175.800 0.134 0.000 1.132 63 F CA -2.393 55.607 58.000 0.001 0.000 1.246 63 F CB 0.626 39.656 39.000 0.049 0.000 1.569 63 F HN 0.358 nan 8.300 nan 0.000 0.561 64 P HA -0.098 nan 4.420 nan 0.000 0.265 64 P C -2.422 175.080 177.300 0.336 0.000 1.167 64 P CA -0.562 62.663 63.100 0.209 0.000 0.760 64 P CB -0.056 31.734 31.700 0.151 0.000 0.783 65 P HA 0.056 nan 4.420 nan 0.000 0.265 65 P C -0.789 176.616 177.300 0.175 0.000 1.193 65 P CA 0.551 63.736 63.100 0.142 0.000 0.765 65 P CB -0.057 31.670 31.700 0.046 0.000 0.823 66 F N 0.594 120.596 119.950 0.087 0.000 2.565 66 F HA 0.622 5.150 4.527 0.001 0.000 0.313 66 F C 0.040 175.860 175.800 0.034 0.000 1.091 66 F CA -1.761 56.282 58.000 0.072 0.000 0.915 66 F CB 1.083 40.143 39.000 0.100 0.000 1.208 66 F HN -0.035 nan 8.300 nan 0.000 0.453 67 R N 1.943 122.566 120.500 0.206 0.000 2.523 67 R HA 0.045 4.385 4.340 0.001 0.000 0.281 67 R C 1.021 177.470 176.300 0.248 0.000 0.969 67 R CA 0.623 56.803 56.100 0.133 0.000 1.093 67 R CB -0.141 30.242 30.300 0.138 0.000 0.917 67 R HN 1.040 nan 8.270 nan 0.000 0.408 68 A N 2.939 125.801 122.820 0.070 0.000 2.234 68 A HA -0.174 4.147 4.320 0.001 0.000 0.216 68 A C 0.916 178.638 177.584 0.229 0.000 1.167 68 A CA 1.399 53.506 52.037 0.116 0.000 0.698 68 A CB -0.114 18.878 19.000 -0.013 0.000 0.779 68 A HN 0.717 nan 8.150 nan 0.000 0.475 69 E N -0.337 119.986 120.200 0.205 0.000 2.498 69 E HA 0.090 4.441 4.350 0.001 0.000 0.203 69 E C -0.049 176.658 176.600 0.177 0.000 1.013 69 E CA 0.143 56.639 56.400 0.162 0.000 0.927 69 E CB 0.340 30.099 29.700 0.098 0.000 1.012 69 E HN 0.395 nan 8.360 nan 0.000 0.482 70 D N -0.237 120.315 120.400 0.253 0.000 2.368 70 D HA -0.021 4.619 4.640 0.001 0.000 0.218 70 D C -0.551 175.700 176.300 -0.082 0.000 1.112 70 D CA -0.129 53.961 54.000 0.151 0.000 0.834 70 D CB -0.123 40.809 40.800 0.220 0.000 0.953 70 D HN 0.182 nan 8.370 nan 0.000 0.505 71 Y N 2.277 122.427 120.300 -0.250 0.000 2.377 71 Y HA 0.231 4.781 4.550 0.001 0.000 0.330 71 Y C -0.084 175.794 175.900 -0.037 0.000 1.108 71 Y CA -0.129 57.671 58.100 -0.501 0.000 1.308 71 Y CB 0.368 38.692 38.460 -0.226 0.000 1.216 71 Y HN -0.258 nan 8.280 nan 0.000 0.518 72 R N 5.059 125.434 120.500 -0.209 0.000 2.510 72 R HA 0.113 4.453 4.340 0.001 0.000 0.287 72 R C 0.270 176.363 176.300 -0.345 0.000 1.084 72 R CA -0.838 55.178 56.100 -0.140 0.000 0.934 72 R CB 1.670 31.941 30.300 -0.049 0.000 1.201 72 R HN 0.670 nan 8.270 nan 0.000 0.431 73 Q N 1.516 121.194 119.800 -0.204 0.000 2.181 73 Q HA -0.246 4.094 4.340 0.001 0.000 0.205 73 Q C 1.060 176.994 176.000 -0.109 0.000 0.980 73 Q CA 2.138 57.855 55.803 -0.142 0.000 0.862 73 Q CB -0.461 28.332 28.738 0.091 0.000 0.905 73 Q HN 0.785 nan 8.270 nan 0.000 0.429 74 E N 0.242 120.393 120.200 -0.082 0.000 2.331 74 E HA -0.134 4.216 4.350 0.001 0.000 0.199 74 E C 1.182 177.749 176.600 -0.055 0.000 1.008 74 E CA 1.370 57.737 56.400 -0.055 0.000 0.843 74 E CB -0.106 29.572 29.700 -0.037 0.000 0.761 74 E HN 0.275 nan 8.360 nan 0.000 0.507 75 V N 0.020 119.850 119.914 -0.141 0.000 2.948 75 V HA -0.033 4.088 4.120 0.001 0.000 0.234 75 V C 1.628 177.685 176.094 -0.063 0.000 1.205 75 V CA 0.603 62.832 62.300 -0.118 0.000 1.234 75 V CB -0.126 31.428 31.823 -0.448 0.000 1.020 75 V HN 0.337 nan 8.190 nan 0.000 0.491 76 H N 0.653 119.631 119.070 -0.153 0.000 2.539 76 H HA 0.507 5.064 4.556 0.001 0.000 0.267 76 H C 0.705 175.966 175.328 -0.112 0.000 0.982 76 H CA 0.931 56.851 56.048 -0.212 0.000 1.146 76 H CB 0.508 29.874 29.762 -0.660 0.000 1.382 76 H HN 0.409 nan 8.280 nan 0.000 0.577 77 A N 1.379 124.203 122.820 0.007 0.000 3.300 77 A HA 0.340 4.661 4.320 0.001 0.000 0.300 77 A C -0.427 177.150 177.584 -0.012 0.000 1.099 77 A CA -0.613 51.461 52.037 0.061 0.000 0.846 77 A CB 0.947 20.032 19.000 0.143 0.000 1.255 77 A HN 0.033 nan 8.150 nan 0.000 0.519 78 Q N -0.241 119.495 119.800 -0.106 0.000 2.565 78 Q HA 0.538 4.879 4.340 0.001 0.000 0.294 78 Q C -0.689 175.062 176.000 -0.414 0.000 1.005 78 Q CA -0.732 54.896 55.803 -0.291 0.000 0.771 78 Q CB 2.313 30.758 28.738 -0.487 0.000 1.486 78 Q HN 0.740 nan 8.270 nan 0.000 0.422 79 V N -0.672 118.982 119.914 -0.435 0.000 2.370 79 V HA 0.561 4.681 4.120 0.001 0.000 0.279 79 V C -0.842 175.037 176.094 -0.358 0.000 1.029 79 V CA -0.571 61.490 62.300 -0.398 0.000 0.870 79 V CB -0.086 31.532 31.823 -0.343 0.000 0.984 79 V HN 0.540 nan 8.190 nan 0.000 0.451 80 Y N 2.551 122.911 120.300 0.100 0.000 2.568 80 Y HA 0.861 5.411 4.550 0.001 0.000 0.327 80 Y C 0.469 176.460 175.900 0.152 0.000 1.163 80 Y CA -0.754 57.489 58.100 0.239 0.000 1.219 80 Y CB 2.131 40.890 38.460 0.498 0.000 1.308 80 Y HN 0.949 nan 8.280 nan 0.000 0.503 81 A N 0.416 123.412 122.820 0.293 0.000 2.550 81 A HA 0.362 4.683 4.320 0.001 0.000 0.282 81 A C -1.261 176.135 177.584 -0.314 0.000 1.071 81 A CA -0.792 51.224 52.037 -0.036 0.000 0.838 81 A CB -0.030 18.990 19.000 0.033 0.000 1.361 81 A HN 0.892 nan 8.150 nan 0.000 0.408 82 c N 4.326 122.451 118.600 -0.793 0.000 2.601 82 c HA 0.316 4.887 4.570 0.001 0.000 0.405 82 c C 0.677 174.620 174.090 -0.245 0.000 1.441 82 c CA 0.229 56.031 56.329 -0.878 0.000 1.555 82 c CB -1.932 40.120 42.510 -0.764 0.000 2.450 82 c HN 0.747 nan 8.230 nan 0.000 0.614 83 L N 6.517 127.637 121.223 -0.172 0.000 2.305 83 L HA 0.526 4.866 4.340 0.001 0.000 0.281 83 L C 0.489 177.344 176.870 -0.026 0.000 1.085 83 L CA -0.127 54.695 54.840 -0.029 0.000 0.813 83 L CB 1.034 43.088 42.059 -0.008 0.000 1.157 83 L HN 0.858 nan 8.230 nan 0.000 0.436 84 A N 6.830 129.637 122.820 -0.022 0.000 2.586 84 A HA 0.483 4.803 4.320 0.001 0.000 0.320 84 A C -0.563 176.961 177.584 -0.101 0.000 1.281 84 A CA -0.625 51.340 52.037 -0.121 0.000 0.775 84 A CB 0.465 19.235 19.000 -0.383 0.000 1.122 84 A HN 0.773 nan 8.150 nan 0.000 0.470 85 R N 2.676 123.142 120.500 -0.056 0.000 2.670 85 R HA 0.543 4.884 4.340 0.001 0.000 0.289 85 R C -0.848 175.439 176.300 -0.021 0.000 0.965 85 R CA -0.431 55.651 56.100 -0.030 0.000 0.899 85 R CB 1.269 31.560 30.300 -0.015 0.000 1.173 85 R HN 0.813 nan 8.270 nan 0.000 0.456 86 N N 1.855 120.554 118.700 -0.002 0.000 3.550 86 N HA -0.008 4.733 4.740 0.001 0.000 0.357 86 N C 0.137 175.628 175.510 -0.030 0.000 1.585 86 N CA -0.436 52.613 53.050 -0.002 0.000 0.651 86 N CB 0.012 38.520 38.487 0.036 0.000 2.273 86 N HN 0.708 nan 8.380 nan 0.000 0.631 87 Q N -1.360 118.385 119.800 -0.092 0.000 2.424 87 Q HA 0.244 4.585 4.340 0.001 0.000 0.204 87 Q C 0.272 176.108 176.000 -0.274 0.000 0.933 87 Q CA 0.739 56.414 55.803 -0.212 0.000 0.929 87 Q CB -0.253 28.291 28.738 -0.323 0.000 1.037 87 Q HN 0.393 nan 8.270 nan 0.000 0.511 88 F N 1.109 121.058 119.950 -0.003 0.000 2.727 88 F HA 0.425 4.953 4.527 0.001 0.000 0.302 88 F C 1.084 176.886 175.800 0.004 0.000 1.097 88 F CA 0.593 58.596 58.000 0.006 0.000 1.330 88 F CB 1.080 40.086 39.000 0.011 0.000 1.084 88 F HN 0.246 nan 8.300 nan 0.000 0.578 89 G N -0.677 108.200 108.800 0.128 0.000 2.347 89 G HA2 0.223 4.183 3.960 0.001 0.000 0.341 89 G HA3 0.223 4.183 3.960 0.001 0.000 0.341 89 G C -1.239 173.682 174.900 0.035 0.000 1.287 89 G CA -0.893 44.248 45.100 0.067 0.000 0.984 89 G HN 0.008 nan 8.290 nan 0.000 0.526 90 S N -0.671 115.036 115.700 0.011 0.000 2.566 90 S HA 0.847 5.318 4.470 0.001 0.000 0.298 90 S C 0.075 174.678 174.600 0.006 0.000 1.083 90 S CA -0.238 57.960 58.200 -0.003 0.000 0.978 90 S CB 1.702 64.901 63.200 -0.002 0.000 1.073 90 S HN 1.463 nan 8.310 nan 0.000 0.491 91 I N -1.275 119.294 120.570 -0.003 0.000 2.785 91 I HA 0.659 4.829 4.170 0.001 0.000 0.302 91 I C -1.561 174.652 176.117 0.161 0.000 1.069 91 I CA -1.216 60.124 61.300 0.067 0.000 1.045 91 I CB 1.513 39.517 38.000 0.007 0.000 1.236 91 I HN 0.397 nan 8.210 nan 0.000 0.429 92 I N 3.660 124.400 120.570 0.282 0.000 2.389 92 I HA 0.252 4.423 4.170 0.001 0.000 0.288 92 I C 0.613 176.911 176.117 0.302 0.000 0.999 92 I CA -0.316 61.152 61.300 0.279 0.000 1.129 92 I CB 1.635 39.769 38.000 0.224 0.000 1.288 92 I HN 0.854 nan 8.210 nan 0.000 0.444 93 S N 6.492 122.255 115.700 0.104 0.000 2.572 93 S HA 0.293 4.764 4.470 0.001 0.000 0.279 93 S C 0.438 174.911 174.600 -0.212 0.000 1.341 93 S CA -0.641 57.306 58.200 -0.422 0.000 1.043 93 S CB 0.610 63.367 63.200 -0.737 0.000 0.887 93 S HN 0.617 nan 8.310 nan 0.000 0.516 94 R N 1.586 121.904 120.500 -0.304 0.000 2.873 94 R HA 0.185 4.526 4.340 0.001 0.000 0.267 94 R C -0.792 175.471 176.300 -0.061 0.000 1.009 94 R CA -0.225 55.767 56.100 -0.179 0.000 1.152 94 R CB -0.798 29.349 30.300 -0.255 0.000 1.047 94 R HN 0.546 nan 8.270 nan 0.000 0.470 95 D N 0.412 120.821 120.400 0.014 0.000 2.570 95 D HA 0.077 4.718 4.640 0.001 0.000 0.243 95 D C -0.470 175.833 176.300 0.006 0.000 1.171 95 D CA 0.442 54.434 54.000 -0.014 0.000 0.879 95 D CB 0.184 40.983 40.800 -0.002 0.000 1.143 95 D HN 0.388 nan 8.370 nan 0.000 0.511 96 V N 2.029 121.949 119.914 0.012 0.000 2.350 96 V HA 0.237 4.357 4.120 0.001 0.000 0.285 96 V C 0.164 176.323 176.094 0.110 0.000 1.014 96 V CA -0.943 61.437 62.300 0.132 0.000 0.831 96 V CB 1.338 33.300 31.823 0.231 0.000 1.000 96 V HN 0.425 nan 8.190 nan 0.000 0.433 97 H N 3.151 122.302 119.070 0.135 0.000 2.864 97 H HA 0.314 4.871 4.556 0.001 0.000 0.281 97 H C -0.121 175.310 175.328 0.170 0.000 1.093 97 H CA -0.151 55.967 56.048 0.118 0.000 1.453 97 H CB 2.172 31.986 29.762 0.086 0.000 1.462 97 H HN 0.592 nan 8.280 nan 0.000 0.480 98 V N 5.633 125.698 119.914 0.251 0.000 2.488 98 V HA 0.147 4.268 4.120 0.001 0.000 0.277 98 V C 0.254 176.502 176.094 0.256 0.000 1.046 98 V CA -0.079 62.379 62.300 0.263 0.000 0.986 98 V CB 0.503 32.440 31.823 0.190 0.000 0.989 98 V HN 0.755 nan 8.190 nan 0.000 0.475 99 R N 5.618 126.319 120.500 0.335 0.000 2.607 99 R HA 0.607 4.947 4.340 0.001 0.000 0.278 99 R C -0.351 175.653 176.300 -0.493 0.000 1.637 99 R CA -0.195 55.952 56.100 0.079 0.000 1.325 99 R CB 1.110 31.511 30.300 0.170 0.000 1.211 99 R HN 0.864 nan 8.270 nan 0.000 0.565 100 A N 2.533 124.920 122.820 -0.723 0.000 2.388 100 A HA 0.536 4.856 4.320 0.001 0.000 0.257 100 A C -0.472 177.006 177.584 -0.177 0.000 1.095 100 A CA -0.223 51.216 52.037 -0.997 0.000 0.791 100 A CB 1.034 19.897 19.000 -0.227 0.000 1.029 100 A HN 0.377 nan 8.150 nan 0.000 0.489 101 V N 3.049 122.835 119.914 -0.213 0.000 2.686 101 V HA 0.232 4.353 4.120 0.001 0.000 0.306 101 V C -0.218 175.802 176.094 -0.124 0.000 1.065 101 V CA -0.648 61.577 62.300 -0.126 0.000 0.894 101 V CB 1.964 33.630 31.823 -0.262 0.000 1.004 101 V HN 0.654 nan 8.190 nan 0.000 0.424 102 V N 6.137 125.978 119.914 -0.122 0.000 2.397 102 V HA 0.155 4.276 4.120 0.001 0.000 0.262 102 V C 0.427 176.439 176.094 -0.136 0.000 1.047 102 V CA -0.192 62.018 62.300 -0.151 0.000 1.003 102 V CB 0.609 32.347 31.823 -0.141 0.000 1.037 102 V HN 0.608 nan 8.190 nan 0.000 0.480 103 I N 5.390 125.864 120.570 -0.160 0.000 2.906 103 I HA 0.009 4.180 4.170 0.001 0.000 0.302 103 I C 0.378 176.452 176.117 -0.071 0.000 1.220 103 I CA 0.980 62.212 61.300 -0.114 0.000 1.441 103 I CB -0.179 37.723 38.000 -0.163 0.000 1.336 103 I HN 0.716 nan 8.210 nan 0.000 0.565 104 Q N 3.633 123.442 119.800 0.014 0.000 2.462 104 Q HA 0.281 4.622 4.340 0.001 0.000 0.285 104 Q C -0.807 175.235 176.000 0.070 0.000 1.035 104 Q CA -0.745 55.066 55.803 0.013 0.000 0.799 104 Q CB 2.063 30.791 28.738 -0.017 0.000 1.452 104 Q HN 0.526 nan 8.270 nan 0.000 0.404 105 S N 2.674 118.387 115.700 0.023 0.000 2.560 105 S HA 0.101 4.572 4.470 0.001 0.000 0.323 105 S C -0.708 173.989 174.600 0.161 0.000 1.191 105 S CA -0.010 58.196 58.200 0.010 0.000 1.231 105 S CB -0.980 62.216 63.200 -0.007 0.000 1.224 105 S HN 0.397 nan 8.310 nan 0.000 0.545 106 Y N 2.463 122.843 120.300 0.133 0.000 2.496 106 Y HA 0.827 5.378 4.550 0.001 0.000 0.331 106 Y C -0.258 175.676 175.900 0.057 0.000 1.140 106 Y CA -1.104 57.077 58.100 0.136 0.000 1.166 106 Y CB 1.183 39.723 38.460 0.132 0.000 1.249 106 Y HN 0.565 nan 8.280 nan 0.000 0.479 107 E N 0.978 121.406 120.200 0.380 0.000 2.478 107 E HA 0.306 4.656 4.350 0.001 0.000 0.293 107 E C -1.797 174.874 176.600 0.119 0.000 1.011 107 E CA -0.915 55.641 56.400 0.260 0.000 0.834 107 E CB 1.287 31.054 29.700 0.112 0.000 1.226 107 E HN 0.761 nan 8.360 nan 0.000 0.419 108 S N 1.962 117.699 115.700 0.063 0.000 2.632 108 S HA 0.568 5.038 4.470 0.001 0.000 0.271 108 S C -0.195 174.396 174.600 -0.014 0.000 1.260 108 S CA -0.786 57.403 58.200 -0.019 0.000 1.010 108 S CB 1.292 64.441 63.200 -0.084 0.000 0.965 108 S HN 0.557 nan 8.310 nan 0.000 0.534 109 E N -0.116 120.075 120.200 -0.014 0.000 2.336 109 E HA 0.697 5.048 4.350 0.001 0.000 0.267 109 E C -1.291 175.319 176.600 0.016 0.000 0.906 109 E CA -1.359 55.044 56.400 0.006 0.000 0.781 109 E CB 1.957 31.672 29.700 0.025 0.000 1.261 109 E HN 0.766 nan 8.360 nan 0.000 0.436 110 A N 2.242 125.089 122.820 0.044 0.000 2.310 110 A HA 0.381 4.701 4.320 0.001 0.000 0.304 110 A C -0.926 176.715 177.584 0.094 0.000 1.231 110 A CA -0.847 51.253 52.037 0.106 0.000 0.799 110 A CB 0.452 19.545 19.000 0.155 0.000 1.162 110 A HN 0.548 nan 8.150 nan 0.000 0.486 111 D N 1.306 121.754 120.400 0.080 0.000 2.423 111 D HA 0.173 4.813 4.640 0.001 0.000 0.255 111 D C -0.246 176.052 176.300 -0.002 0.000 1.174 111 D CA -0.270 53.758 54.000 0.046 0.000 1.008 111 D CB 0.618 41.447 40.800 0.049 0.000 1.101 111 D HN 0.541 nan 8.370 nan 0.000 0.516 112 N N 1.232 119.895 118.700 -0.062 0.000 2.529 112 N HA 0.108 4.848 4.740 0.001 0.000 0.278 112 N C -0.191 175.142 175.510 -0.294 0.000 1.146 112 N CA -0.129 52.777 53.050 -0.239 0.000 0.980 112 N CB 1.255 39.472 38.487 -0.450 0.000 1.124 112 N HN 0.270 nan 8.380 nan 0.000 0.458 113 E N 1.534 121.537 120.200 -0.329 0.000 2.166 113 E HA 0.255 4.605 4.350 0.001 0.000 0.275 113 E C -0.793 175.585 176.600 -0.370 0.000 0.941 113 E CA -0.427 55.826 56.400 -0.246 0.000 0.784 113 E CB 1.022 30.607 29.700 -0.192 0.000 1.115 113 E HN 0.403 nan 8.360 nan 0.000 0.399 114 Y N 0.812 121.091 120.300 -0.035 0.000 2.335 114 Y HA 0.334 4.885 4.550 0.001 0.000 0.339 114 Y C 0.149 176.025 175.900 -0.040 0.000 0.987 114 Y CA -0.634 57.449 58.100 -0.030 0.000 1.140 114 Y CB 1.266 39.716 38.460 -0.017 0.000 1.173 114 Y HN 0.093 nan 8.280 nan 0.000 0.486 115 V N 4.639 124.588 119.914 0.058 0.000 2.789 115 V HA 0.383 4.504 4.120 0.001 0.000 0.311 115 V C -0.118 175.980 176.094 0.006 0.000 1.073 115 V CA -1.265 61.040 62.300 0.008 0.000 0.921 115 V CB 2.235 34.025 31.823 -0.055 0.000 1.009 115 V HN 0.575 nan 8.190 nan 0.000 0.426 116 I N 4.182 124.755 120.570 0.005 0.000 2.494 116 I HA 0.184 4.355 4.170 0.001 0.000 0.289 116 I C 1.095 177.194 176.117 -0.030 0.000 1.106 116 I CA -0.096 61.194 61.300 -0.016 0.000 1.369 116 I CB 0.156 38.164 38.000 0.013 0.000 1.410 116 I HN 0.659 nan 8.210 nan 0.000 0.523 117 R N 5.658 126.114 120.500 -0.072 0.000 2.560 117 R HA -0.177 4.163 4.340 0.001 0.000 0.296 117 R C 1.000 177.297 176.300 -0.005 0.000 0.873 117 R CA 1.521 57.581 56.100 -0.067 0.000 1.140 117 R CB -0.239 29.994 30.300 -0.112 0.000 0.875 117 R HN 1.053 nan 8.270 nan 0.000 0.419 118 G N 3.417 112.224 108.800 0.012 0.000 2.308 118 G HA2 -0.276 3.684 3.960 0.001 0.000 0.221 118 G HA3 -0.276 3.684 3.960 0.001 0.000 0.221 118 G C 0.343 175.270 174.900 0.045 0.000 1.032 118 G CA 0.198 45.333 45.100 0.057 0.000 0.623 118 G HN 0.683 nan 8.290 nan 0.000 0.506 119 N N 1.114 119.840 118.700 0.043 0.000 2.317 119 N HA 0.454 5.194 4.740 0.001 0.000 0.245 119 N C 0.791 176.273 175.510 -0.047 0.000 1.294 119 N CA 0.735 53.804 53.050 0.031 0.000 0.924 119 N CB 0.759 39.276 38.487 0.050 0.000 1.186 119 N HN 0.661 nan 8.380 nan 0.000 0.495 120 S N -0.740 114.917 115.700 -0.073 0.000 2.730 120 S HA 0.640 5.110 4.470 0.001 0.000 0.284 120 S C -0.303 174.151 174.600 -0.242 0.000 1.153 120 S CA -0.644 57.435 58.200 -0.202 0.000 0.995 120 S CB 1.725 64.775 63.200 -0.250 0.000 1.058 120 S HN 0.370 nan 8.310 nan 0.000 0.552 121 V N -0.138 119.540 119.914 -0.395 0.000 3.147 121 V HA 0.671 4.791 4.120 0.001 0.000 0.299 121 V C -1.923 173.905 176.094 -0.444 0.000 1.302 121 V CA -0.595 61.501 62.300 -0.340 0.000 1.015 121 V CB 2.143 33.797 31.823 -0.282 0.000 1.086 121 V HN 0.963 nan 8.190 nan 0.000 0.437 122 V N 6.336 126.069 119.914 -0.301 0.000 2.447 122 V HA 0.501 4.621 4.120 0.001 0.000 0.292 122 V C -0.264 175.713 176.094 -0.196 0.000 1.021 122 V CA -0.382 61.767 62.300 -0.252 0.000 0.850 122 V CB 1.561 33.306 31.823 -0.131 0.000 1.005 122 V HN 0.862 nan 8.190 nan 0.000 0.426 123 M N 4.573 124.005 119.600 -0.280 0.000 2.157 123 M HA 0.551 5.032 4.480 0.001 0.000 0.354 123 M C -0.267 176.025 176.300 -0.013 0.000 1.170 123 M CA -0.166 55.013 55.300 -0.201 0.000 1.060 123 M CB 1.335 33.701 32.600 -0.390 0.000 1.615 123 M HN 0.428 nan 8.290 nan 0.000 0.460 124 K N 2.174 122.642 120.400 0.114 0.000 2.185 124 K HA 0.684 5.005 4.320 0.001 0.000 0.240 124 K C -0.985 175.774 176.600 0.264 0.000 0.983 124 K CA -0.655 55.761 56.287 0.216 0.000 0.873 124 K CB 1.768 34.336 32.500 0.114 0.000 1.118 124 K HN 1.037 nan 8.250 nan 0.000 0.441 125 c N 0.782 119.500 118.600 0.196 0.000 2.391 125 c HA 0.521 5.091 4.570 0.001 0.000 0.339 125 c C 0.168 174.260 174.090 0.003 0.000 1.205 125 c CA -0.771 55.590 56.329 0.054 0.000 1.937 125 c CB 0.764 43.201 42.510 -0.123 0.000 2.341 125 c HN 0.714 nan 8.230 nan 0.000 0.516 126 E N 2.263 122.458 120.200 -0.009 0.000 2.368 126 E HA 0.214 4.565 4.350 0.001 0.000 0.283 126 E C 0.313 176.875 176.600 -0.063 0.000 1.476 126 E CA -0.176 56.212 56.400 -0.020 0.000 1.786 126 E CB -0.197 29.505 29.700 0.003 0.000 1.518 126 E HN 0.741 nan 8.360 nan 0.000 0.456 127 I N 2.792 123.303 120.570 -0.098 0.000 3.138 127 I HA -0.103 4.068 4.170 0.001 0.000 0.286 127 I C -1.795 174.198 176.117 -0.206 0.000 1.194 127 I CA -0.888 60.313 61.300 -0.166 0.000 1.392 127 I CB -0.810 37.082 38.000 -0.180 0.000 1.476 127 I HN -0.167 nan 8.210 nan 0.000 0.579 128 P HA -0.051 nan 4.420 nan 0.000 0.266 128 P C 0.785 177.822 177.300 -0.438 0.000 1.180 128 P CA 0.264 63.153 63.100 -0.351 0.000 0.765 128 P CB 0.523 31.901 31.700 -0.538 0.000 0.806 129 S N 1.517 117.057 115.700 -0.266 0.000 2.383 129 S HA -0.245 4.226 4.470 0.001 0.000 0.229 129 S C 1.709 176.229 174.600 -0.132 0.000 1.030 129 S CA 1.776 59.885 58.200 -0.152 0.000 1.002 129 S CB -1.336 61.846 63.200 -0.030 0.000 0.829 129 S HN 0.662 nan 8.310 nan 0.000 0.467 130 Y N 1.950 122.258 120.300 0.015 0.000 2.293 130 Y HA 0.068 4.618 4.550 0.001 0.000 0.291 130 Y C 2.218 178.222 175.900 0.174 0.000 1.137 130 Y CA 0.676 58.816 58.100 0.066 0.000 1.202 130 Y CB -0.939 37.565 38.460 0.074 0.000 0.990 130 Y HN 0.220 nan 8.280 nan 0.000 0.537 131 V N -2.136 117.758 119.914 -0.033 0.000 3.565 131 V HA 0.422 4.543 4.120 0.001 0.000 0.260 131 V C 2.323 178.343 176.094 -0.123 0.000 1.231 131 V CA 0.311 62.724 62.300 0.188 0.000 1.100 131 V CB -0.576 31.220 31.823 -0.044 0.000 0.807 131 V HN 0.363 nan 8.190 nan 0.000 0.454 132 A N 0.701 123.352 122.820 -0.282 0.000 2.084 132 A HA -0.291 4.030 4.320 0.001 0.000 0.221 132 A C 1.951 179.312 177.584 -0.373 0.000 1.161 132 A CA 2.227 54.091 52.037 -0.288 0.000 0.653 132 A CB -0.746 18.116 19.000 -0.230 0.000 0.802 132 A HN 0.561 nan 8.150 nan 0.000 0.457 133 D N -1.373 118.606 120.400 -0.701 0.000 2.317 133 D HA 0.001 4.641 4.640 0.001 0.000 0.211 133 D C 0.533 176.331 176.300 -0.837 0.000 0.966 133 D CA 0.822 54.283 54.000 -0.898 0.000 0.876 133 D CB -0.014 40.054 40.800 -1.220 0.000 0.927 133 D HN 0.593 nan 8.370 nan 0.000 0.519 134 F N -1.292 118.569 119.950 -0.148 0.000 2.859 134 F HA 0.309 4.837 4.527 0.001 0.000 0.324 134 F C -0.339 175.260 175.800 -0.336 0.000 1.158 134 F CA -0.739 57.147 58.000 -0.190 0.000 1.147 134 F CB 0.388 39.257 39.000 -0.218 0.000 1.137 134 F HN -0.354 nan 8.300 nan 0.000 0.516 135 V N 2.538 122.374 119.914 -0.130 0.000 2.443 135 V HA 0.547 4.668 4.120 0.001 0.000 0.293 135 V C -0.827 175.209 176.094 -0.097 0.000 1.021 135 V CA -0.967 61.174 62.300 -0.266 0.000 0.848 135 V CB 1.287 32.783 31.823 -0.545 0.000 0.998 135 V HN 0.262 nan 8.190 nan 0.000 0.424 136 F N 2.792 122.647 119.950 -0.158 0.000 2.569 136 F HA 0.868 5.396 4.527 0.001 0.000 0.312 136 F C -0.483 175.267 175.800 -0.084 0.000 1.109 136 F CA -1.455 56.481 58.000 -0.107 0.000 0.919 136 F CB 1.217 40.174 39.000 -0.072 0.000 1.211 136 F HN 0.191 nan 8.300 nan 0.000 0.446 137 V N 2.838 122.745 119.914 -0.012 0.000 2.694 137 V HA 0.034 4.155 4.120 0.001 0.000 0.306 137 V C 0.430 176.520 176.094 -0.007 0.000 1.054 137 V CA 0.744 62.979 62.300 -0.108 0.000 1.161 137 V CB 0.703 32.489 31.823 -0.061 0.000 0.916 137 V HN 1.011 nan 8.190 nan 0.000 0.490 138 D N 3.666 124.002 120.400 -0.106 0.000 2.525 138 D HA 0.199 4.840 4.640 0.001 0.000 0.231 138 D C -0.134 176.194 176.300 0.046 0.000 1.216 138 D CA 0.025 54.040 54.000 0.026 0.000 0.813 138 D CB 0.762 41.549 40.800 -0.022 0.000 1.108 138 D HN 0.428 nan 8.370 nan 0.000 0.524 139 L N -0.539 120.646 121.223 -0.064 0.000 2.892 139 L HA 0.504 4.845 4.340 0.001 0.000 0.269 139 L C -1.895 174.846 176.870 -0.214 0.000 1.058 139 L CA -0.768 54.054 54.840 -0.031 0.000 0.923 139 L CB 2.317 44.361 42.059 -0.025 0.000 1.518 139 L HN -0.076 nan 8.230 nan 0.000 0.402 140 W N 1.332 122.651 121.300 0.033 0.000 3.118 140 W HA 0.700 5.360 4.660 0.001 0.000 0.328 140 W C -1.560 175.046 176.519 0.145 0.000 1.239 140 W CA -0.296 57.104 57.345 0.092 0.000 1.176 140 W CB 1.828 31.338 29.460 0.085 0.000 1.433 140 W HN 0.045 nan 8.180 nan 0.000 0.562 141 L N 2.199 123.678 121.223 0.427 0.000 2.482 141 L HA 0.417 4.758 4.340 0.001 0.000 0.263 141 L C -0.608 176.367 176.870 0.175 0.000 0.957 141 L CA -0.645 54.328 54.840 0.220 0.000 0.836 141 L CB 1.511 43.613 42.059 0.071 0.000 1.324 141 L HN 0.167 nan 8.230 nan 0.000 0.406 142 D N -0.207 120.228 120.400 0.059 0.000 2.329 142 D HA 0.251 4.891 4.640 0.001 0.000 0.246 142 D C 0.866 177.093 176.300 -0.120 0.000 1.111 142 D CA -0.002 53.908 54.000 -0.150 0.000 0.941 142 D CB 1.606 42.324 40.800 -0.137 0.000 1.169 142 D HN 0.592 nan 8.370 nan 0.000 0.441 143 S N -0.219 115.384 115.700 -0.161 0.000 2.660 143 S HA -0.025 4.445 4.470 0.001 0.000 0.223 143 S C 0.742 175.302 174.600 -0.067 0.000 0.963 143 S CA 0.408 58.556 58.200 -0.085 0.000 0.932 143 S CB -0.086 63.073 63.200 -0.070 0.000 0.775 143 S HN 0.480 nan 8.310 nan 0.000 0.531 144 E N -0.654 119.498 120.200 -0.080 0.000 2.921 144 E HA 0.391 4.741 4.350 0.001 0.000 0.203 144 E C 0.858 177.423 176.600 -0.057 0.000 0.975 144 E CA 0.306 56.672 56.400 -0.056 0.000 1.225 144 E CB 0.483 30.153 29.700 -0.050 0.000 1.048 144 E HN 0.547 nan 8.360 nan 0.000 0.477 145 G N 1.275 110.036 108.800 -0.065 0.000 2.391 145 G HA2 -0.254 3.707 3.960 0.001 0.000 0.204 145 G HA3 -0.254 3.707 3.960 0.001 0.000 0.204 145 G C 0.362 175.200 174.900 -0.104 0.000 1.012 145 G CA -0.169 44.891 45.100 -0.066 0.000 0.651 145 G HN 0.208 nan 8.290 nan 0.000 0.494 146 R N 0.952 121.360 120.500 -0.154 0.000 2.582 146 R HA 0.588 4.929 4.340 0.001 0.000 0.271 146 R C -0.619 175.456 176.300 -0.375 0.000 1.078 146 R CA -0.071 55.846 56.100 -0.306 0.000 1.127 146 R CB 0.242 30.283 30.300 -0.433 0.000 1.038 146 R HN 0.287 nan 8.270 nan 0.000 0.500 147 N N 0.922 119.275 118.700 -0.578 0.000 2.238 147 N HA 0.275 5.015 4.740 0.001 0.000 0.302 147 N C -1.817 173.126 175.510 -0.944 0.000 1.072 147 N CA -0.423 52.245 53.050 -0.636 0.000 0.792 147 N CB 1.403 39.467 38.487 -0.704 0.000 1.425 147 N HN 0.391 nan 8.380 nan 0.000 0.478 148 Y N 1.664 121.720 120.300 -0.407 0.000 2.686 148 Y HA 0.343 4.894 4.550 0.001 0.000 0.331 148 Y C -0.766 175.049 175.900 -0.142 0.000 0.996 148 Y CA -0.820 57.148 58.100 -0.220 0.000 1.293 148 Y CB 0.175 38.598 38.460 -0.062 0.000 1.092 148 Y HN 0.457 nan 8.280 nan 0.000 0.524 149 Y N 2.922 123.331 120.300 0.181 0.000 2.346 149 Y HA 0.308 4.858 4.550 0.001 0.000 0.330 149 Y C -1.710 174.290 175.900 0.167 0.000 1.178 149 Y CA -2.365 55.827 58.100 0.154 0.000 1.331 149 Y CB 0.088 38.597 38.460 0.082 0.000 1.253 149 Y HN 0.399 nan 8.280 nan 0.000 0.529 150 P HA 0.063 nan 4.420 nan 0.000 0.271 150 P C -0.496 176.911 177.300 0.179 0.000 1.238 150 P CA 0.207 63.444 63.100 0.229 0.000 0.794 150 P CB 0.533 32.362 31.700 0.216 0.000 0.959 151 N N -0.274 118.500 118.700 0.124 0.000 3.179 151 N HA 0.154 4.895 4.740 0.001 0.000 0.250 151 N C -0.829 174.710 175.510 0.048 0.000 1.507 151 N CA -0.465 52.634 53.050 0.081 0.000 0.883 151 N CB 0.282 38.813 38.487 0.074 0.000 1.435 151 N HN 0.078 nan 8.380 nan 0.000 0.532 152 N N 0.689 119.402 118.700 0.023 0.000 2.376 152 N HA 0.392 5.132 4.740 0.001 0.000 0.249 152 N C -0.769 174.726 175.510 -0.025 0.000 1.140 152 N CA 0.702 53.752 53.050 0.000 0.000 0.870 152 N CB -0.408 38.077 38.487 -0.003 0.000 1.124 152 N HN 0.659 nan 8.380 nan 0.000 0.505 153 A N -1.062 121.745 122.820 -0.021 0.000 3.091 153 A HA -0.140 4.181 4.320 0.001 0.000 0.271 153 A C 1.550 179.107 177.584 -0.044 0.000 1.400 153 A CA 0.739 52.746 52.037 -0.050 0.000 0.757 153 A CB -2.019 16.920 19.000 -0.102 0.000 1.032 153 A HN 0.415 nan 8.150 nan 0.000 0.519 154 A N 0.216 123.026 122.820 -0.016 0.000 1.834 154 A HA 0.211 4.532 4.320 0.001 0.000 0.216 154 A C 1.092 178.665 177.584 -0.019 0.000 1.203 154 A CA 1.825 53.854 52.037 -0.013 0.000 0.621 154 A CB -0.433 18.570 19.000 0.005 0.000 0.841 154 A HN 1.694 nan 8.150 nan 0.000 0.446 155 E N -2.418 117.778 120.200 -0.006 0.000 2.280 155 E HA 0.562 4.912 4.350 0.001 0.000 0.264 155 E C 0.005 176.588 176.600 -0.029 0.000 1.064 155 E CA 0.102 56.496 56.400 -0.009 0.000 0.900 155 E CB 1.435 31.143 29.700 0.014 0.000 1.123 155 E HN 0.067 nan 8.360 nan 0.000 0.418 156 T N 0.268 114.800 114.554 -0.037 0.000 3.254 156 T HA 0.018 4.368 4.350 0.001 0.000 0.267 156 T C -0.547 174.121 174.700 -0.053 0.000 0.946 156 T CA 0.126 62.187 62.100 -0.065 0.000 0.991 156 T CB 0.015 68.832 68.868 -0.086 0.000 1.205 156 T HN 0.632 nan 8.240 nan 0.000 0.494 157 D N 1.613 121.993 120.400 -0.035 0.000 2.455 157 D HA 0.487 5.127 4.640 0.001 0.000 0.234 157 D C -0.009 176.287 176.300 -0.007 0.000 1.224 157 D CA 0.448 54.433 54.000 -0.026 0.000 0.999 157 D CB -0.249 40.540 40.800 -0.020 0.000 1.072 157 D HN 0.494 nan 8.370 nan 0.000 0.514 158 G N 2.200 110.996 108.800 -0.008 0.000 2.519 158 G HA2 0.029 3.990 3.960 0.001 0.000 0.292 158 G HA3 0.029 3.990 3.960 0.001 0.000 0.292 158 G C 0.269 175.166 174.900 -0.005 0.000 1.507 158 G CA -0.791 44.319 45.100 0.016 0.000 0.806 158 G HN 0.240 nan 8.290 nan 0.000 0.523 159 K N -0.833 119.549 120.400 -0.029 0.000 2.074 159 K HA -0.077 4.244 4.320 0.001 0.000 0.209 159 K C -0.041 176.389 176.600 -0.283 0.000 1.048 159 K CA 1.324 57.498 56.287 -0.187 0.000 0.926 159 K CB -0.213 32.118 32.500 -0.281 0.000 0.713 159 K HN 0.470 nan 8.250 nan 0.000 0.444 160 Y N 0.146 120.480 120.300 0.057 0.000 2.420 160 Y HA 0.499 5.049 4.550 0.001 0.000 0.334 160 Y C -0.120 175.806 175.900 0.043 0.000 1.094 160 Y CA -0.837 57.290 58.100 0.046 0.000 1.126 160 Y CB 1.488 40.047 38.460 0.166 0.000 1.217 160 Y HN -0.085 nan 8.280 nan 0.000 0.462 161 L N 2.654 123.978 121.223 0.168 0.000 2.513 161 L HA 0.466 4.807 4.340 0.001 0.000 0.261 161 L C -1.549 175.347 176.870 0.044 0.000 0.945 161 L CA -1.040 53.849 54.840 0.082 0.000 0.848 161 L CB 2.368 44.410 42.059 -0.029 0.000 1.334 161 L HN 0.336 nan 8.230 nan 0.000 0.407 162 V N 4.528 124.484 119.914 0.070 0.000 2.364 162 V HA 0.239 4.359 4.120 0.001 0.000 0.272 162 V C 0.289 176.418 176.094 0.058 0.000 1.036 162 V CA -0.651 61.694 62.300 0.074 0.000 0.880 162 V CB 1.268 33.200 31.823 0.183 0.000 0.991 162 V HN 0.391 nan 8.190 nan 0.000 0.460 163 L N 8.470 129.717 121.223 0.039 0.000 2.483 163 L HA 0.196 4.537 4.340 0.001 0.000 0.275 163 L C -0.830 176.067 176.870 0.045 0.000 1.220 163 L CA -1.493 53.355 54.840 0.014 0.000 0.833 163 L CB -0.172 41.897 42.059 0.017 0.000 1.102 163 L HN 0.363 nan 8.230 nan 0.000 0.490 164 P HA -0.202 nan 4.420 nan 0.000 0.219 164 P C 0.915 178.250 177.300 0.059 0.000 1.153 164 P CA 1.760 64.881 63.100 0.034 0.000 0.865 164 P CB 0.112 31.826 31.700 0.023 0.000 0.788 165 S N -2.927 112.812 115.700 0.066 0.000 2.660 165 S HA 0.405 4.876 4.470 0.001 0.000 0.227 165 S C 1.446 176.117 174.600 0.118 0.000 0.948 165 S CA 0.150 58.396 58.200 0.077 0.000 0.948 165 S CB -0.781 62.458 63.200 0.065 0.000 0.779 165 S HN 0.318 nan 8.310 nan 0.000 0.487 166 G N 0.809 109.701 108.800 0.154 0.000 2.155 166 G HA2 -0.258 3.702 3.960 0.001 0.000 0.257 166 G HA3 -0.258 3.702 3.960 0.001 0.000 0.257 166 G C -0.337 174.772 174.900 0.349 0.000 0.983 166 G CA 0.178 45.424 45.100 0.244 0.000 0.676 166 G HN 0.601 nan 8.290 nan 0.000 0.528 167 E N -0.833 119.499 120.200 0.219 0.000 2.283 167 E HA 0.665 5.015 4.350 0.001 0.000 0.271 167 E C 0.086 176.651 176.600 -0.058 0.000 1.031 167 E CA -0.937 55.557 56.400 0.158 0.000 0.868 167 E CB 1.575 31.316 29.700 0.068 0.000 1.094 167 E HN 0.249 nan 8.360 nan 0.000 0.401 168 L N 3.028 123.963 121.223 -0.480 0.000 2.257 168 L HA 0.199 4.540 4.340 0.001 0.000 0.290 168 L C -0.997 175.625 176.870 -0.414 0.000 1.044 168 L CA -0.200 54.211 54.840 -0.715 0.000 0.810 168 L CB 0.449 41.538 42.059 -1.617 0.000 1.193 168 L HN 0.546 nan 8.230 nan 0.000 0.425 169 H N 6.907 125.796 119.070 -0.301 0.000 2.685 169 H HA 0.341 4.898 4.556 0.001 0.000 0.286 169 H C -0.754 174.421 175.328 -0.255 0.000 1.102 169 H CA -0.577 55.327 56.048 -0.240 0.000 1.254 169 H CB 0.430 30.093 29.762 -0.166 0.000 1.397 169 H HN 0.626 nan 8.280 nan 0.000 0.473 170 I N 5.028 125.330 120.570 -0.447 0.000 2.395 170 I HA 0.125 4.296 4.170 0.001 0.000 0.289 170 I C 1.874 177.743 176.117 -0.414 0.000 1.023 170 I CA -0.210 60.811 61.300 -0.464 0.000 1.350 170 I CB 1.393 39.089 38.000 -0.506 0.000 1.409 170 I HN 0.480 nan 8.210 nan 0.000 0.507 171 R N 4.645 124.989 120.500 -0.260 0.000 2.148 171 R HA -0.017 4.324 4.340 0.001 0.000 0.223 171 R C 0.099 176.312 176.300 -0.145 0.000 1.088 171 R CA 0.990 57.028 56.100 -0.105 0.000 0.985 171 R CB 0.372 30.631 30.300 -0.068 0.000 0.880 171 R HN 0.832 nan 8.270 nan 0.000 0.451 172 E N -1.532 118.549 120.200 -0.197 0.000 2.409 172 E HA 0.127 4.478 4.350 0.001 0.000 0.280 172 E C -1.639 174.864 176.600 -0.162 0.000 1.079 172 E CA -0.800 55.517 56.400 -0.138 0.000 0.840 172 E CB 1.479 31.129 29.700 -0.083 0.000 1.309 172 E HN -0.124 nan 8.360 nan 0.000 0.447 173 V N 0.999 120.845 119.914 -0.113 0.000 2.445 173 V HA 0.516 4.636 4.120 0.001 0.000 0.283 173 V C 0.387 176.435 176.094 -0.077 0.000 1.014 173 V CA -0.039 62.194 62.300 -0.112 0.000 0.852 173 V CB 1.343 33.092 31.823 -0.123 0.000 1.021 173 V HN 0.798 nan 8.190 nan 0.000 0.435 174 G N 5.002 113.759 108.800 -0.071 0.000 2.572 174 G HA2 0.457 4.418 3.960 0.001 0.000 0.261 174 G HA3 0.457 4.418 3.960 0.001 0.000 0.261 174 G C -1.026 173.818 174.900 -0.093 0.000 1.197 174 G CA -0.989 44.073 45.100 -0.062 0.000 0.870 174 G HN 0.503 nan 8.290 nan 0.000 0.548 175 P HA -0.091 nan 4.420 nan 0.000 0.221 175 P C 0.793 177.926 177.300 -0.279 0.000 1.150 175 P CA 0.970 63.985 63.100 -0.142 0.000 0.800 175 P CB 0.101 31.749 31.700 -0.085 0.000 0.787 176 E N 0.097 120.169 120.200 -0.214 0.000 2.453 176 E HA -0.113 4.237 4.350 0.001 0.000 0.207 176 E C 0.260 176.711 176.600 -0.248 0.000 1.212 176 E CA 0.569 56.821 56.400 -0.246 0.000 0.959 176 E CB -0.821 28.832 29.700 -0.077 0.000 0.957 176 E HN 0.263 nan 8.360 nan 0.000 0.540 177 D N -0.855 119.383 120.400 -0.269 0.000 2.520 177 D HA 0.085 4.726 4.640 0.001 0.000 0.223 177 D C 1.393 177.607 176.300 -0.143 0.000 1.186 177 D CA 0.246 54.171 54.000 -0.125 0.000 0.821 177 D CB 0.582 41.352 40.800 -0.050 0.000 1.072 177 D HN 0.296 nan 8.370 nan 0.000 0.518 178 G N -0.118 108.472 108.800 -0.351 0.000 3.042 178 G HA2 -0.002 3.959 3.960 0.001 0.000 0.212 178 G HA3 -0.002 3.959 3.960 0.001 0.000 0.212 178 G C -0.318 174.544 174.900 -0.063 0.000 1.166 178 G CA 0.010 44.979 45.100 -0.218 0.000 0.767 178 G HN 0.084 nan 8.290 nan 0.000 0.546 179 Y N 0.159 120.478 120.300 0.031 0.000 2.686 179 Y HA 0.683 5.233 4.550 0.001 0.000 0.331 179 Y C 0.210 176.111 175.900 0.001 0.000 0.996 179 Y CA -2.159 55.951 58.100 0.016 0.000 1.293 179 Y CB 0.688 39.155 38.460 0.011 0.000 1.092 179 Y HN -0.034 nan 8.280 nan 0.000 0.524 180 K N 1.507 121.968 120.400 0.102 0.000 2.946 180 K HA 0.221 4.541 4.320 0.001 0.000 0.335 180 K C -1.395 175.161 176.600 -0.073 0.000 1.251 180 K CA -0.037 56.236 56.287 -0.024 0.000 1.007 180 K CB 0.562 33.026 32.500 -0.060 0.000 1.323 180 K HN 0.634 nan 8.250 nan 0.000 0.419 181 S N 2.099 117.712 115.700 -0.145 0.000 2.664 181 S HA 0.763 5.233 4.470 0.001 0.000 0.304 181 S C -0.975 173.479 174.600 -0.243 0.000 1.099 181 S CA -0.661 57.496 58.200 -0.071 0.000 1.003 181 S CB 1.183 64.387 63.200 0.005 0.000 1.092 181 S HN 0.430 nan 8.310 nan 0.000 0.525 182 Y N 0.541 120.891 120.300 0.083 0.000 2.406 182 Y HA 0.461 5.012 4.550 0.001 0.000 0.340 182 Y C -0.073 175.932 175.900 0.175 0.000 0.975 182 Y CA -0.796 57.395 58.100 0.151 0.000 1.056 182 Y CB 2.124 40.677 38.460 0.155 0.000 1.210 182 Y HN 0.762 nan 8.280 nan 0.000 0.448 183 Q N 2.042 122.015 119.800 0.289 0.000 2.413 183 Q HA 0.772 5.113 4.340 0.001 0.000 0.276 183 Q C -0.769 175.192 176.000 -0.065 0.000 1.099 183 Q CA -1.030 54.840 55.803 0.110 0.000 0.814 183 Q CB 2.577 31.333 28.738 0.030 0.000 1.379 183 Q HN 0.786 nan 8.270 nan 0.000 0.436 184 c N -0.069 118.287 118.600 -0.407 0.000 2.407 184 c HA 0.883 5.453 4.570 0.001 0.000 0.366 184 c C -0.217 173.586 174.090 -0.478 0.000 1.213 184 c CA -0.824 54.963 56.329 -0.904 0.000 2.011 184 c CB 1.526 43.057 42.510 -1.631 0.000 2.306 184 c HN 1.078 nan 8.230 nan 0.000 0.527 185 R N 1.440 121.658 120.500 -0.469 0.000 2.631 185 R HA 0.411 4.752 4.340 0.001 0.000 0.289 185 R C -0.075 176.065 176.300 -0.266 0.000 1.303 185 R CA 0.143 56.084 56.100 -0.265 0.000 0.989 185 R CB 1.299 31.494 30.300 -0.176 0.000 1.208 185 R HN 1.090 nan 8.270 nan 0.000 0.461 186 T N 0.690 115.094 114.554 -0.250 0.000 2.732 186 T HA 0.373 4.723 4.350 0.001 0.000 0.287 186 T C 0.059 174.559 174.700 -0.333 0.000 0.993 186 T CA -0.525 61.379 62.100 -0.326 0.000 0.966 186 T CB 1.119 69.805 68.868 -0.303 0.000 1.047 186 T HN 0.625 nan 8.240 nan 0.000 0.527 187 K N -0.935 119.122 120.400 -0.572 0.000 2.532 187 K HA 0.345 4.666 4.320 0.001 0.000 0.265 187 K C -1.358 175.016 176.600 -0.377 0.000 0.948 187 K CA -0.976 55.075 56.287 -0.393 0.000 0.842 187 K CB 1.540 33.815 32.500 -0.375 0.000 1.392 187 K HN 0.713 nan 8.250 nan 0.000 0.436 188 H N 3.289 122.297 119.070 -0.104 0.000 2.668 188 H HA 0.194 4.750 4.556 0.001 0.000 0.303 188 H C 0.259 175.673 175.328 0.143 0.000 1.074 188 H CA -0.107 55.963 56.048 0.037 0.000 1.406 188 H CB 1.239 31.088 29.762 0.144 0.000 1.442 188 H HN 0.729 nan 8.280 nan 0.000 0.482 189 R N 3.661 124.329 120.500 0.280 0.000 2.280 189 R HA 0.024 4.364 4.340 0.001 0.000 0.207 189 R C 1.024 177.508 176.300 0.307 0.000 1.043 189 R CA 0.574 56.889 56.100 0.359 0.000 1.006 189 R CB 0.467 30.968 30.300 0.335 0.000 0.885 189 R HN 0.415 nan 8.270 nan 0.000 0.467 190 L N 0.294 121.778 121.223 0.436 0.000 2.630 190 L HA 0.031 4.371 4.340 0.001 0.000 0.180 190 L C 2.685 179.656 176.870 0.169 0.000 1.221 190 L CA 0.949 55.964 54.840 0.292 0.000 0.853 190 L CB -0.865 41.331 42.059 0.229 0.000 1.172 190 L HN 0.177 nan 8.230 nan 0.000 0.508 191 T N -1.382 113.187 114.554 0.024 0.000 2.653 191 T HA -0.173 4.177 4.350 0.001 0.000 0.268 191 T C 1.469 176.175 174.700 0.011 0.000 1.035 191 T CA 1.862 63.895 62.100 -0.113 0.000 1.154 191 T CB -0.579 68.077 68.868 -0.353 0.000 0.862 191 T HN 0.671 nan 8.240 nan 0.000 0.441 192 G N 0.702 109.563 108.800 0.102 0.000 2.163 192 G HA2 -0.197 3.764 3.960 0.001 0.000 0.213 192 G HA3 -0.197 3.764 3.960 0.001 0.000 0.213 192 G C -0.201 174.743 174.900 0.074 0.000 0.991 192 G CA 0.227 45.386 45.100 0.097 0.000 0.653 192 G HN 0.888 nan 8.290 nan 0.000 0.518 193 E N 1.644 121.898 120.200 0.090 0.000 2.129 193 E HA 0.389 4.740 4.350 0.001 0.000 0.283 193 E C -0.124 176.533 176.600 0.094 0.000 1.080 193 E CA -0.100 56.338 56.400 0.064 0.000 0.867 193 E CB 0.215 29.925 29.700 0.018 0.000 1.056 193 E HN 0.130 nan 8.360 nan 0.000 0.404 194 T N 5.533 120.106 114.554 0.033 0.000 2.814 194 T HA 0.258 4.609 4.350 0.001 0.000 0.297 194 T C -0.072 174.636 174.700 0.013 0.000 0.956 194 T CA -0.155 61.947 62.100 0.004 0.000 1.123 194 T CB 0.306 69.167 68.868 -0.012 0.000 0.902 194 T HN 0.520 nan 8.240 nan 0.000 0.528 195 R N 2.352 122.866 120.500 0.024 0.000 2.604 195 R HA 0.622 4.963 4.340 0.001 0.000 0.270 195 R C -1.344 174.953 176.300 -0.006 0.000 1.052 195 R CA -0.980 55.130 56.100 0.016 0.000 0.902 195 R CB 0.507 30.826 30.300 0.030 0.000 1.233 195 R HN 0.258 nan 8.270 nan 0.000 0.455 196 L N 1.157 122.364 121.223 -0.027 0.000 2.416 196 L HA 0.350 4.691 4.340 0.001 0.000 0.212 196 L C 0.423 177.271 176.870 -0.037 0.000 1.200 196 L CA 0.299 55.109 54.840 -0.050 0.000 0.841 196 L CB 0.471 42.506 42.059 -0.041 0.000 1.299 196 L HN 0.934 nan 8.230 nan 0.000 0.538 197 S N -1.120 114.549 115.700 -0.051 0.000 2.509 197 S HA 0.607 5.077 4.470 0.001 0.000 0.297 197 S C 0.744 175.339 174.600 -0.008 0.000 1.118 197 S CA -0.317 57.862 58.200 -0.036 0.000 1.074 197 S CB 1.450 64.607 63.200 -0.071 0.000 1.038 197 S HN 0.692 nan 8.310 nan 0.000 0.498 198 A N 2.768 125.592 122.820 0.008 0.000 1.927 198 A HA 0.097 4.418 4.320 0.001 0.000 0.220 198 A C 1.379 178.972 177.584 0.015 0.000 1.185 198 A CA 1.843 53.888 52.037 0.014 0.000 0.639 198 A CB -1.344 17.670 19.000 0.024 0.000 0.820 198 A HN 1.276 nan 8.150 nan 0.000 0.451 199 T N -2.818 111.748 114.554 0.020 0.000 2.901 199 T HA 0.603 4.954 4.350 0.001 0.000 0.293 199 T C -0.897 173.827 174.700 0.040 0.000 1.084 199 T CA -0.779 61.339 62.100 0.030 0.000 1.008 199 T CB 1.844 70.734 68.868 0.037 0.000 1.170 199 T HN 0.456 nan 8.240 nan 0.000 0.509 200 K N 0.270 120.703 120.400 0.055 0.000 2.376 200 K HA 0.698 5.018 4.320 0.001 0.000 0.257 200 K C 0.059 176.724 176.600 0.110 0.000 0.939 200 K CA -1.083 55.259 56.287 0.092 0.000 0.809 200 K CB 1.827 34.379 32.500 0.086 0.000 1.121 200 K HN 0.824 nan 8.250 nan 0.000 0.425 201 G N 2.578 111.468 108.800 0.151 0.000 2.390 201 G HA2 0.220 4.180 3.960 0.001 0.000 0.270 201 G HA3 0.220 4.180 3.960 0.001 0.000 0.270 201 G C -0.818 174.172 174.900 0.151 0.000 1.211 201 G CA -0.675 44.493 45.100 0.114 0.000 0.842 201 G HN 0.669 nan 8.290 nan 0.000 0.519 202 R N 2.017 122.553 120.500 0.060 0.000 2.540 202 R HA 0.467 4.808 4.340 0.001 0.000 0.287 202 R C -0.299 175.972 176.300 -0.047 0.000 0.980 202 R CA -0.811 55.327 56.100 0.064 0.000 0.966 202 R CB 0.856 31.180 30.300 0.040 0.000 1.106 202 R HN 0.412 nan 8.270 nan 0.000 0.480 203 L N 4.322 125.540 121.223 -0.008 0.000 2.281 203 L HA 0.272 4.612 4.340 0.001 0.000 0.285 203 L C -0.592 176.202 176.870 -0.127 0.000 1.074 203 L CA -0.721 54.054 54.840 -0.109 0.000 0.817 203 L CB 1.649 43.669 42.059 -0.064 0.000 1.168 203 L HN 0.424 nan 8.230 nan 0.000 0.434 204 V N 5.590 125.380 119.914 -0.207 0.000 2.270 204 V HA 0.206 4.326 4.120 0.001 0.000 0.263 204 V C 0.300 176.387 176.094 -0.012 0.000 1.066 204 V CA -0.528 61.716 62.300 -0.094 0.000 0.857 204 V CB 0.692 32.456 31.823 -0.099 0.000 1.099 204 V HN 0.441 nan 8.190 nan 0.000 0.476 205 I N 3.703 124.256 120.570 -0.030 0.000 2.533 205 I HA 0.214 4.385 4.170 0.001 0.000 0.284 205 I C 0.832 176.947 176.117 -0.003 0.000 1.109 205 I CA 0.992 62.273 61.300 -0.032 0.000 1.412 205 I CB 1.246 39.206 38.000 -0.067 0.000 1.396 205 I HN 0.519 nan 8.210 nan 0.000 0.543 206 T N 5.652 120.201 114.554 -0.009 0.000 2.864 206 T HA 0.329 4.679 4.350 0.001 0.000 0.310 206 T C -0.352 174.305 174.700 -0.071 0.000 1.040 206 T CA -0.660 61.432 62.100 -0.014 0.000 0.977 206 T CB 0.114 68.990 68.868 0.013 0.000 0.976 206 T HN 0.556 nan 8.240 nan 0.000 0.459 207 E N 5.128 125.277 120.200 -0.084 0.000 2.360 207 E HA 0.412 4.763 4.350 0.001 0.000 0.269 207 E C -2.123 174.371 176.600 -0.177 0.000 1.022 207 E CA -1.206 55.105 56.400 -0.149 0.000 0.887 207 E CB 0.671 30.305 29.700 -0.109 0.000 0.990 207 E HN 0.422 nan 8.360 nan 0.000 0.426 208 P HA 0.234 nan 4.420 nan 0.000 0.290 208 P C -1.398 175.796 177.300 -0.177 0.000 1.283 208 P CA -0.759 62.182 63.100 -0.265 0.000 0.869 208 P CB 1.236 32.653 31.700 -0.473 0.000 1.100 209 V N -0.824 119.048 119.914 -0.069 0.000 2.394 209 V HA 0.673 4.793 4.120 0.001 0.000 0.282 209 V C 1.249 177.366 176.094 0.038 0.000 1.031 209 V CA 0.237 62.527 62.300 -0.016 0.000 0.881 209 V CB 0.011 31.827 31.823 -0.012 0.000 0.982 209 V HN 0.986 nan 8.190 nan 0.000 0.451 210 G N 4.513 113.356 108.800 0.072 0.000 3.581 210 G HA2 -0.283 3.678 3.960 0.001 0.000 0.336 210 G HA3 -0.283 3.678 3.960 0.001 0.000 0.336 210 G C 0.403 175.411 174.900 0.179 0.000 1.259 210 G CA 0.787 45.947 45.100 0.101 0.000 1.001 210 G HN 1.284 nan 8.290 nan 0.000 0.662 211 S N -2.377 113.405 115.700 0.138 0.000 2.688 211 S HA 0.829 5.300 4.470 0.001 0.000 0.275 211 S C -0.345 174.320 174.600 0.109 0.000 1.175 211 S CA 0.625 58.913 58.200 0.145 0.000 0.818 211 S CB 1.744 64.977 63.200 0.054 0.000 1.157 211 S HN 2.081 nan 8.310 nan 0.000 0.482 212 V N 0.248 120.215 119.914 0.088 0.000 3.583 212 V HA 0.778 4.899 4.120 0.001 0.000 0.319 212 V C -2.135 173.973 176.094 0.024 0.000 1.768 212 V CA -0.405 61.928 62.300 0.054 0.000 0.917 212 V CB 1.593 33.456 31.823 0.066 0.000 0.935 212 V HN 1.038 nan 8.190 nan 0.000 0.482 213 R N 0.324 120.831 120.500 0.011 0.000 2.833 213 R HA 0.506 4.847 4.340 0.001 0.000 0.259 213 R C -3.257 173.023 176.300 -0.033 0.000 1.047 213 R CA -0.851 55.237 56.100 -0.019 0.000 0.916 213 R CB 2.465 32.755 30.300 -0.015 0.000 1.259 213 R HN 0.570 nan 8.270 nan 0.000 0.482 214 P HA 0.486 nan 4.420 nan 0.000 0.300 214 P C -1.667 175.603 177.300 -0.049 0.000 1.326 214 P CA -0.651 62.411 63.100 -0.063 0.000 0.844 214 P CB 1.774 33.397 31.700 -0.128 0.000 0.992 215 K N 1.381 121.765 120.400 -0.027 0.000 2.533 215 K HA 0.710 5.031 4.320 0.001 0.000 0.284 215 K C -1.746 174.853 176.600 -0.002 0.000 1.025 215 K CA -0.834 55.441 56.287 -0.019 0.000 0.900 215 K CB 1.805 34.298 32.500 -0.012 0.000 1.519 215 K HN 0.111 nan 8.250 nan 0.000 0.432 216 V N 1.974 121.890 119.914 0.004 0.000 2.841 216 V HA 0.403 4.523 4.120 0.001 0.000 0.310 216 V C -1.097 175.014 176.094 0.028 0.000 1.090 216 V CA -1.193 61.117 62.300 0.017 0.000 0.930 216 V CB 2.080 33.908 31.823 0.008 0.000 1.014 216 V HN 0.758 nan 8.190 nan 0.000 0.425 217 N N 4.372 123.094 118.700 0.037 0.000 2.530 217 N HA 0.267 5.007 4.740 0.001 0.000 0.273 217 N C -1.889 173.656 175.510 0.058 0.000 1.173 217 N CA -1.704 51.371 53.050 0.043 0.000 0.967 217 N CB 1.261 39.773 38.487 0.043 0.000 1.109 217 N HN 0.294 nan 8.380 nan 0.000 0.453 218 P HA -0.200 nan 4.420 nan 0.000 0.217 218 P C 1.173 178.540 177.300 0.112 0.000 1.151 218 P CA 1.540 64.693 63.100 0.088 0.000 0.849 218 P CB 0.222 31.962 31.700 0.067 0.000 0.787 219 Q N -1.371 118.484 119.800 0.091 0.000 2.466 219 Q HA -0.042 4.299 4.340 0.001 0.000 0.210 219 Q C 0.241 176.305 176.000 0.106 0.000 0.961 219 Q CA 1.138 57.003 55.803 0.103 0.000 0.953 219 Q CB -0.581 28.204 28.738 0.079 0.000 1.011 219 Q HN 0.289 nan 8.270 nan 0.000 0.516 220 D N 0.409 120.865 120.400 0.093 0.000 2.474 220 D HA 0.096 4.737 4.640 0.001 0.000 0.213 220 D C 0.978 177.313 176.300 0.057 0.000 1.120 220 D CA -0.007 54.039 54.000 0.077 0.000 0.836 220 D CB 0.466 41.303 40.800 0.062 0.000 1.019 220 D HN 0.206 nan 8.370 nan 0.000 0.507 221 K N 0.006 120.451 120.400 0.075 0.000 2.418 221 K HA 0.011 4.332 4.320 0.001 0.000 0.195 221 K C -0.314 176.191 176.600 -0.158 0.000 1.035 221 K CA 0.606 56.894 56.287 0.002 0.000 1.003 221 K CB 0.275 32.831 32.500 0.093 0.000 0.793 221 K HN 0.042 nan 8.250 nan 0.000 0.494 222 H N -0.155 118.937 119.070 0.035 0.000 3.162 222 H HA 0.235 4.791 4.556 0.001 0.000 0.309 222 H C -1.418 173.887 175.328 -0.039 0.000 1.156 222 H CA -0.525 55.518 56.048 -0.008 0.000 1.586 222 H CB 1.045 30.860 29.762 0.087 0.000 1.740 222 H HN -0.032 nan 8.280 nan 0.000 0.525 223 Q N 2.023 121.745 119.800 -0.129 0.000 2.266 223 Q HA 0.584 4.925 4.340 0.001 0.000 0.261 223 Q C -0.979 174.789 176.000 -0.388 0.000 0.985 223 Q CA -0.804 54.965 55.803 -0.058 0.000 0.873 223 Q CB 2.292 31.050 28.738 0.034 0.000 1.306 223 Q HN 0.386 nan 8.270 nan 0.000 0.447 224 F N 1.406 121.409 119.950 0.088 0.000 2.540 224 F HA 0.627 5.154 4.527 0.001 0.000 0.317 224 F C -0.389 175.432 175.800 0.036 0.000 1.104 224 F CA -0.710 57.330 58.000 0.066 0.000 0.913 224 F CB 1.381 40.413 39.000 0.053 0.000 1.170 224 F HN 0.263 nan 8.300 nan 0.000 0.450 225 I N 2.382 123.037 120.570 0.142 0.000 2.607 225 I HA 0.327 4.497 4.170 0.001 0.000 0.290 225 I C -1.627 174.483 176.117 -0.013 0.000 1.129 225 I CA -0.589 60.738 61.300 0.045 0.000 1.042 225 I CB 2.364 40.358 38.000 -0.009 0.000 1.242 225 I HN 0.468 nan 8.210 nan 0.000 0.421 226 D N 5.066 125.444 120.400 -0.036 0.000 2.505 226 D HA 0.662 5.302 4.640 0.001 0.000 0.249 226 D C -0.910 175.321 176.300 -0.115 0.000 1.082 226 D CA -0.118 53.839 54.000 -0.072 0.000 0.839 226 D CB 2.530 43.309 40.800 -0.036 0.000 1.317 226 D HN 0.308 nan 8.370 nan 0.000 0.497 227 V N -1.103 118.707 119.914 -0.173 0.000 3.159 227 V HA 0.680 4.801 4.120 0.001 0.000 0.308 227 V C -0.758 175.266 176.094 -0.116 0.000 1.190 227 V CA -0.907 61.301 62.300 -0.153 0.000 1.037 227 V CB 2.163 33.845 31.823 -0.235 0.000 1.060 227 V HN 0.403 nan 8.190 nan 0.000 0.437 228 E N 1.633 121.792 120.200 -0.068 0.000 2.250 228 E HA 0.528 4.879 4.350 0.001 0.000 0.269 228 E C -0.420 176.162 176.600 -0.030 0.000 1.018 228 E CA -0.915 55.456 56.400 -0.049 0.000 0.873 228 E CB 2.264 31.942 29.700 -0.037 0.000 1.134 228 E HN 0.812 nan 8.360 nan 0.000 0.403 229 L N 1.402 122.611 121.223 -0.024 0.000 2.529 229 L HA -0.028 4.313 4.340 0.001 0.000 0.287 229 L C 0.773 177.648 176.870 0.009 0.000 1.241 229 L CA 1.072 55.908 54.840 -0.006 0.000 0.857 229 L CB 0.163 42.217 42.059 -0.009 0.000 1.113 229 L HN 0.902 nan 8.230 nan 0.000 0.504 230 A N 1.747 124.581 122.820 0.023 0.000 3.420 230 A HA -0.262 4.059 4.320 0.001 0.000 0.269 230 A C 0.750 178.349 177.584 0.025 0.000 1.122 230 A CA 1.448 53.498 52.037 0.021 0.000 1.023 230 A CB -2.682 16.323 19.000 0.008 0.000 1.099 230 A HN 1.260 nan 8.150 nan 0.000 0.860 231 S N -0.645 115.079 115.700 0.040 0.000 2.693 231 S HA 0.781 5.251 4.470 0.001 0.000 0.276 231 S C 0.115 174.773 174.600 0.097 0.000 1.192 231 S CA 0.309 58.537 58.200 0.046 0.000 0.994 231 S CB 1.670 64.889 63.200 0.032 0.000 1.012 231 S HN 1.020 nan 8.310 nan 0.000 0.550 232 S N 1.122 116.863 115.700 0.068 0.000 2.549 232 S HA 0.791 5.261 4.470 0.001 0.000 0.297 232 S C -1.068 173.590 174.600 0.096 0.000 1.115 232 S CA -0.587 57.627 58.200 0.024 0.000 1.059 232 S CB 0.729 63.894 63.200 -0.059 0.000 1.046 232 S HN 0.849 nan 8.310 nan 0.000 0.506 233 Y N -1.084 119.163 120.300 -0.088 0.000 2.900 233 Y HA 0.837 5.387 4.550 0.001 0.000 0.318 233 Y C -0.767 175.049 175.900 -0.139 0.000 1.457 233 Y CA -1.241 56.800 58.100 -0.098 0.000 1.082 233 Y CB 0.685 39.085 38.460 -0.099 0.000 1.419 233 Y HN 0.663 nan 8.280 nan 0.000 0.459 234 S N 0.797 116.501 115.700 0.007 0.000 2.537 234 S HA 0.734 5.205 4.470 0.001 0.000 0.270 234 S C -2.015 172.554 174.600 -0.051 0.000 1.142 234 S CA -0.931 57.167 58.200 -0.170 0.000 0.870 234 S CB 1.381 64.479 63.200 -0.169 0.000 1.112 234 S HN 0.877 nan 8.310 nan 0.000 0.466 235 L N 2.095 123.176 121.223 -0.237 0.000 2.317 235 L HA 0.627 4.968 4.340 0.001 0.000 0.281 235 L C -1.069 175.798 176.870 -0.006 0.000 1.024 235 L CA -0.935 53.775 54.840 -0.216 0.000 0.810 235 L CB 1.380 43.011 42.059 -0.713 0.000 1.240 235 L HN 0.577 nan 8.230 nan 0.000 0.427 236 L N 2.206 123.576 121.223 0.244 0.000 2.330 236 L HA 0.506 4.846 4.340 0.001 0.000 0.271 236 L C -0.437 176.682 176.870 0.416 0.000 1.013 236 L CA -0.153 54.865 54.840 0.298 0.000 0.816 236 L CB 1.916 44.074 42.059 0.166 0.000 1.287 236 L HN 0.631 nan 8.230 nan 0.000 0.435 237 c N 3.557 122.336 118.600 0.298 0.000 3.287 237 c HA 0.473 5.043 4.570 0.001 0.000 0.260 237 c C -0.132 174.066 174.090 0.181 0.000 1.133 237 c CA -0.780 55.654 56.329 0.174 0.000 1.402 237 c CB -0.343 42.231 42.510 0.107 0.000 1.832 237 c HN 0.809 nan 8.230 nan 0.000 0.509 238 M N 4.547 124.224 119.600 0.127 0.000 3.011 238 M HA 0.496 4.976 4.480 0.001 0.000 0.292 238 M C 0.294 176.666 176.300 0.121 0.000 1.440 238 M CA 0.553 55.917 55.300 0.108 0.000 1.552 238 M CB -0.141 32.501 32.600 0.069 0.000 1.187 238 M HN 0.809 nan 8.290 nan 0.000 0.520 239 A N 3.479 126.428 122.820 0.215 0.000 2.414 239 A HA 0.779 5.099 4.320 0.001 0.000 0.306 239 A C -0.814 176.859 177.584 0.149 0.000 1.054 239 A CA -0.729 51.393 52.037 0.141 0.000 0.724 239 A CB 1.449 20.481 19.000 0.055 0.000 1.267 239 A HN 0.642 nan 8.150 nan 0.000 0.418 240 Q N -0.041 119.799 119.800 0.068 0.000 2.495 240 Q HA 0.818 5.159 4.340 0.001 0.000 0.283 240 Q C -0.865 175.153 176.000 0.031 0.000 1.097 240 Q CA -0.804 55.041 55.803 0.069 0.000 0.836 240 Q CB 2.204 30.976 28.738 0.056 0.000 1.426 240 Q HN 1.118 nan 8.270 nan 0.000 0.459 241 S N 0.253 115.986 115.700 0.056 0.000 2.799 241 S HA 0.179 4.649 4.470 0.001 0.000 0.303 241 S C -2.442 172.229 174.600 0.118 0.000 0.835 241 S CA -0.680 57.548 58.200 0.047 0.000 0.783 241 S CB 0.151 63.330 63.200 -0.035 0.000 0.985 241 S HN 0.586 nan 8.310 nan 0.000 0.507 242 Y N 4.679 124.966 120.300 -0.021 0.000 2.341 242 Y HA 0.648 5.199 4.550 0.001 0.000 0.338 242 Y C -2.514 173.373 175.900 -0.022 0.000 0.965 242 Y CA -1.608 56.482 58.100 -0.017 0.000 1.108 242 Y CB 2.007 40.460 38.460 -0.011 0.000 1.180 242 Y HN 0.528 nan 8.280 nan 0.000 0.458 243 P HA 0.007 nan 4.420 nan 0.000 0.272 243 P C -0.568 176.572 177.300 -0.266 0.000 1.254 243 P CA -0.100 62.571 63.100 -0.714 0.000 0.795 243 P CB 0.467 31.864 31.700 -0.504 0.000 1.022 244 T N 2.184 116.626 114.554 -0.187 0.000 2.870 244 T HA 0.228 4.579 4.350 0.001 0.000 0.300 244 T C -2.013 172.651 174.700 -0.061 0.000 0.989 244 T CA -1.303 60.775 62.100 -0.036 0.000 1.139 244 T CB -0.461 68.429 68.868 0.036 0.000 0.920 244 T HN 0.256 nan 8.240 nan 0.000 0.537 245 P HA 0.202 nan 4.420 nan 0.000 0.272 245 P C -1.013 176.150 177.300 -0.227 0.000 1.240 245 P CA -0.496 62.450 63.100 -0.257 0.000 0.791 245 P CB 0.494 31.877 31.700 -0.528 0.000 0.978 246 S N 0.129 115.655 115.700 -0.289 0.000 2.449 246 S HA 0.622 5.092 4.470 0.001 0.000 0.310 246 S C -0.788 173.660 174.600 -0.253 0.000 1.096 246 S CA -0.706 57.425 58.200 -0.116 0.000 1.095 246 S CB 0.130 63.296 63.200 -0.058 0.000 1.007 246 S HN 0.210 nan 8.310 nan 0.000 0.474 247 F N 1.828 121.761 119.950 -0.027 0.000 2.436 247 F HA 0.559 5.087 4.527 0.001 0.000 0.340 247 F C 1.024 176.789 175.800 -0.057 0.000 1.113 247 F CA -0.906 57.052 58.000 -0.070 0.000 1.022 247 F CB 1.676 40.650 39.000 -0.044 0.000 1.128 247 F HN 0.397 nan 8.300 nan 0.000 0.466 248 R N 2.999 123.519 120.500 0.033 0.000 2.422 248 R HA 0.213 4.554 4.340 0.001 0.000 0.307 248 R C -1.773 174.554 176.300 0.046 0.000 1.004 248 R CA -0.729 55.405 56.100 0.056 0.000 0.882 248 R CB 1.295 31.685 30.300 0.150 0.000 1.164 248 R HN 0.672 nan 8.270 nan 0.000 0.489 249 W N 3.275 124.573 121.300 -0.004 0.000 2.322 249 W HA 0.275 4.936 4.660 0.001 0.000 0.307 249 W C -0.205 176.251 176.519 -0.105 0.000 1.220 249 W CA 0.041 57.409 57.345 0.038 0.000 1.210 249 W CB 0.626 30.099 29.460 0.023 0.000 1.223 249 W HN 0.444 nan 8.180 nan 0.000 0.511 250 Y N 2.107 122.515 120.300 0.180 0.000 2.462 250 Y HA 0.338 4.888 4.550 0.001 0.000 0.346 250 Y C 0.095 175.964 175.900 -0.052 0.000 0.976 250 Y CA -1.615 56.488 58.100 0.005 0.000 1.044 250 Y CB 1.825 40.172 38.460 -0.189 0.000 1.230 250 Y HN 0.198 nan 8.280 nan 0.000 0.455 251 K N 2.118 122.525 120.400 0.012 0.000 2.130 251 K HA 0.455 4.776 4.320 0.001 0.000 0.268 251 K C -1.263 175.186 176.600 -0.252 0.000 0.983 251 K CA -0.454 55.653 56.287 -0.301 0.000 0.893 251 K CB 0.668 32.962 32.500 -0.343 0.000 1.066 251 K HN 0.474 nan 8.250 nan 0.000 0.450 252 F N 3.607 123.457 119.950 -0.166 0.000 2.406 252 F HA 0.231 4.759 4.527 0.001 0.000 0.327 252 F C 0.707 176.454 175.800 -0.088 0.000 1.153 252 F CA -0.666 57.280 58.000 -0.091 0.000 1.218 252 F CB 0.559 39.508 39.000 -0.084 0.000 1.215 252 F HN 0.280 nan 8.300 nan 0.000 0.570 253 I N 0.068 120.754 120.570 0.194 0.000 2.365 253 I HA 0.318 4.489 4.170 0.001 0.000 0.291 253 I C -0.087 176.067 176.117 0.062 0.000 1.004 253 I CA -0.869 60.484 61.300 0.088 0.000 1.311 253 I CB 0.983 39.024 38.000 0.068 0.000 1.401 253 I HN 0.544 nan 8.210 nan 0.000 0.491 254 E N 4.383 124.601 120.200 0.030 0.000 2.585 254 E HA 0.190 4.541 4.350 0.001 0.000 0.252 254 E C 1.100 177.695 176.600 -0.007 0.000 0.981 254 E CA 1.286 57.691 56.400 0.009 0.000 0.943 254 E CB 0.131 29.835 29.700 0.007 0.000 0.923 254 E HN 0.989 nan 8.360 nan 0.000 0.486 255 G N 3.204 111.983 108.800 -0.034 0.000 2.176 255 G HA2 -0.278 3.682 3.960 0.001 0.000 0.252 255 G HA3 -0.278 3.682 3.960 0.001 0.000 0.252 255 G C 0.180 175.050 174.900 -0.050 0.000 1.024 255 G CA 0.554 45.627 45.100 -0.045 0.000 0.755 255 G HN 0.825 nan 8.290 nan 0.000 0.507 256 T N -4.536 109.981 114.554 -0.061 0.000 2.887 256 T HA 0.699 5.049 4.350 0.001 0.000 0.292 256 T C 0.971 175.608 174.700 -0.105 0.000 1.087 256 T CA 0.666 62.737 62.100 -0.048 0.000 1.009 256 T CB 1.819 70.692 68.868 0.007 0.000 1.203 256 T HN 0.357 nan 8.240 nan 0.000 0.518 257 T N 0.312 114.828 114.554 -0.063 0.000 3.086 257 T HA 0.236 4.586 4.350 0.001 0.000 0.250 257 T C 0.810 175.576 174.700 0.110 0.000 1.074 257 T CA -0.231 61.828 62.100 -0.068 0.000 0.988 257 T CB -0.132 68.705 68.868 -0.051 0.000 0.988 257 T HN 0.558 nan 8.240 nan 0.000 0.530 258 R N 2.347 122.914 120.500 0.111 0.000 2.615 258 R HA 0.575 4.915 4.340 0.001 0.000 0.270 258 R C 0.387 176.842 176.300 0.258 0.000 1.081 258 R CA -0.451 55.732 56.100 0.139 0.000 1.154 258 R CB 0.579 30.927 30.300 0.079 0.000 1.063 258 R HN 0.312 nan 8.270 nan 0.000 0.519 259 K N 0.288 120.779 120.400 0.151 0.000 2.367 259 K HA 0.379 4.700 4.320 0.001 0.000 0.272 259 K C -1.430 175.211 176.600 0.069 0.000 1.046 259 K CA -1.015 55.312 56.287 0.067 0.000 0.895 259 K CB 2.013 34.364 32.500 -0.249 0.000 1.512 259 K HN 0.534 nan 8.250 nan 0.000 0.433 260 Q N 0.404 120.251 119.800 0.078 0.000 2.331 260 Q HA 0.437 4.778 4.340 0.001 0.000 0.249 260 Q C -1.669 174.385 176.000 0.089 0.000 0.913 260 Q CA -0.378 55.484 55.803 0.098 0.000 0.874 260 Q CB 2.276 31.040 28.738 0.043 0.000 1.384 260 Q HN 0.850 nan 8.270 nan 0.000 0.427 261 A N 2.376 125.207 122.820 0.019 0.000 2.531 261 A HA 0.243 4.563 4.320 0.001 0.000 0.236 261 A C -0.106 177.413 177.584 -0.109 0.000 1.062 261 A CA -0.085 51.785 52.037 -0.279 0.000 0.760 261 A CB 0.353 19.111 19.000 -0.404 0.000 0.995 261 A HN 0.548 nan 8.150 nan 0.000 0.501 262 V N 4.548 124.421 119.914 -0.069 0.000 2.446 262 V HA 0.112 4.232 4.120 0.001 0.000 0.276 262 V C 0.408 176.488 176.094 -0.023 0.000 1.030 262 V CA -0.091 62.226 62.300 0.028 0.000 1.033 262 V CB 0.597 32.498 31.823 0.129 0.000 0.993 262 V HN 0.593 nan 8.190 nan 0.000 0.477 263 V N 7.153 127.056 119.914 -0.019 0.000 2.686 263 V HA 0.302 4.422 4.120 0.001 0.000 0.295 263 V C 0.298 176.367 176.094 -0.041 0.000 1.055 263 V CA -0.477 61.804 62.300 -0.032 0.000 1.050 263 V CB 1.030 32.840 31.823 -0.022 0.000 0.984 263 V HN 0.561 nan 8.190 nan 0.000 0.482 264 L N 4.671 125.866 121.223 -0.047 0.000 2.343 264 L HA 0.613 4.954 4.340 0.001 0.000 0.275 264 L C 0.030 176.867 176.870 -0.054 0.000 1.056 264 L CA -0.328 54.476 54.840 -0.061 0.000 0.804 264 L CB 1.542 43.566 42.059 -0.059 0.000 1.203 264 L HN 1.029 nan 8.230 nan 0.000 0.440 265 N N -1.081 117.580 118.700 -0.065 0.000 3.575 265 N HA 0.164 4.905 4.740 0.001 0.000 0.343 265 N C -0.355 175.117 175.510 -0.064 0.000 1.574 265 N CA -0.690 52.327 53.050 -0.055 0.000 0.832 265 N CB 0.242 38.702 38.487 -0.045 0.000 2.151 265 N HN 0.261 nan 8.380 nan 0.000 0.552 266 D N -0.956 119.411 120.400 -0.055 0.000 2.269 266 D HA -0.006 4.635 4.640 0.001 0.000 0.208 266 D C 1.340 177.597 176.300 -0.072 0.000 0.963 266 D CA 0.897 54.863 54.000 -0.057 0.000 0.864 266 D CB 0.164 40.938 40.800 -0.043 0.000 0.936 266 D HN 0.441 nan 8.370 nan 0.000 0.505 267 R N -0.042 120.411 120.500 -0.077 0.000 2.087 267 R HA 0.127 4.468 4.340 0.001 0.000 0.216 267 R C 0.026 176.242 176.300 -0.140 0.000 1.114 267 R CA 0.372 56.415 56.100 -0.094 0.000 1.002 267 R CB 0.476 30.734 30.300 -0.070 0.000 0.903 267 R HN -0.107 nan 8.270 nan 0.000 0.445 268 V N 3.500 123.335 119.914 -0.132 0.000 2.311 268 V HA 0.263 4.384 4.120 0.001 0.000 0.275 268 V C -0.786 175.206 176.094 -0.169 0.000 1.022 268 V CA -0.370 61.825 62.300 -0.174 0.000 0.830 268 V CB 1.149 32.888 31.823 -0.140 0.000 1.012 268 V HN 0.199 nan 8.190 nan 0.000 0.452 269 K N 4.453 124.730 120.400 -0.206 0.000 2.259 269 K HA 0.643 4.963 4.320 0.001 0.000 0.249 269 K C -0.823 175.650 176.600 -0.212 0.000 0.942 269 K CA -0.801 55.379 56.287 -0.178 0.000 0.816 269 K CB 2.817 35.225 32.500 -0.154 0.000 1.155 269 K HN 0.602 nan 8.250 nan 0.000 0.428 270 Q N 1.930 121.634 119.800 -0.160 0.000 2.325 270 Q HA 0.299 4.639 4.340 0.001 0.000 0.270 270 Q C -1.526 174.395 176.000 -0.132 0.000 1.020 270 Q CA -0.701 55.011 55.803 -0.152 0.000 0.785 270 Q CB 1.728 30.429 28.738 -0.062 0.000 1.259 270 Q HN 0.397 nan 8.270 nan 0.000 0.452 271 V N 3.846 123.649 119.914 -0.186 0.000 2.288 271 V HA 0.222 4.342 4.120 0.001 0.000 0.266 271 V C -0.221 175.774 176.094 -0.165 0.000 1.048 271 V CA -0.508 61.687 62.300 -0.176 0.000 0.842 271 V CB 0.883 32.535 31.823 -0.285 0.000 1.064 271 V HN 0.825 nan 8.190 nan 0.000 0.472 272 S N 3.373 118.986 115.700 -0.145 0.000 2.552 272 S HA 0.215 4.685 4.470 0.001 0.000 0.289 272 S C 1.139 175.349 174.600 -0.650 0.000 1.304 272 S CA 0.224 58.230 58.200 -0.322 0.000 1.063 272 S CB 1.016 64.147 63.200 -0.115 0.000 0.848 272 S HN 0.949 nan 8.310 nan 0.000 0.499 273 G N 2.467 110.491 108.800 -1.293 0.000 4.125 273 G HA2 0.342 4.302 3.960 0.001 0.000 0.301 273 G HA3 0.342 4.302 3.960 0.001 0.000 0.301 273 G C -0.116 174.752 174.900 -0.053 0.000 1.273 273 G CA -0.430 44.021 45.100 -1.082 0.000 1.095 273 G HN 0.593 nan 8.290 nan 0.000 0.582 274 T N 1.154 115.684 114.554 -0.039 0.000 2.829 274 T HA 0.467 4.818 4.350 0.001 0.000 0.282 274 T C -0.422 174.179 174.700 -0.165 0.000 0.990 274 T CA -0.387 61.728 62.100 0.025 0.000 1.028 274 T CB 2.105 70.895 68.868 -0.130 0.000 0.951 274 T HN -0.075 nan 8.240 nan 0.000 0.460 275 L N 3.567 124.540 121.223 -0.416 0.000 2.350 275 L HA 0.575 4.915 4.340 0.001 0.000 0.275 275 L C -0.312 176.269 176.870 -0.483 0.000 1.099 275 L CA -0.167 54.291 54.840 -0.637 0.000 0.808 275 L CB 0.712 42.089 42.059 -1.137 0.000 1.149 275 L HN 0.584 nan 8.230 nan 0.000 0.442 276 I N 4.827 125.133 120.570 -0.441 0.000 2.548 276 I HA 0.466 4.636 4.170 0.001 0.000 0.287 276 I C -0.841 175.006 176.117 -0.450 0.000 1.103 276 I CA -0.257 60.794 61.300 -0.415 0.000 1.049 276 I CB 1.714 39.525 38.000 -0.315 0.000 1.232 276 I HN 0.344 nan 8.210 nan 0.000 0.429 277 I N 5.875 126.064 120.570 -0.634 0.000 2.582 277 I HA 0.432 4.602 4.170 0.001 0.000 0.292 277 I C -0.723 175.080 176.117 -0.524 0.000 1.066 277 I CA -0.757 60.161 61.300 -0.637 0.000 1.053 277 I CB 2.486 39.933 38.000 -0.922 0.000 1.241 277 I HN 0.572 nan 8.210 nan 0.000 0.421 278 K N 2.995 123.229 120.400 -0.277 0.000 2.295 278 K HA 0.638 4.959 4.320 0.001 0.000 0.239 278 K C -0.956 175.604 176.600 -0.067 0.000 0.991 278 K CA -0.811 55.388 56.287 -0.147 0.000 0.845 278 K CB 1.187 33.625 32.500 -0.104 0.000 1.197 278 K HN 0.441 nan 8.250 nan 0.000 0.441 279 D N -0.592 119.800 120.400 -0.013 0.000 2.873 279 D HA -0.158 4.483 4.640 0.001 0.000 0.228 279 D C -0.475 175.858 176.300 0.054 0.000 1.122 279 D CA 1.101 55.108 54.000 0.013 0.000 0.758 279 D CB -1.686 39.111 40.800 -0.005 0.000 1.094 279 D HN 0.823 nan 8.370 nan 0.000 0.434 280 A N 0.319 123.212 122.820 0.122 0.000 2.858 280 A HA 0.241 4.561 4.320 0.001 0.000 0.290 280 A C 1.254 178.890 177.584 0.087 0.000 1.683 280 A CA 0.692 52.852 52.037 0.206 0.000 1.180 280 A CB -0.621 18.517 19.000 0.229 0.000 0.954 280 A HN 0.784 nan 8.150 nan 0.000 0.592 281 V N 1.799 121.756 119.914 0.073 0.000 3.376 281 V HA 0.186 4.307 4.120 0.001 0.000 0.303 281 V C 1.351 177.464 176.094 0.032 0.000 1.100 281 V CA 0.596 62.920 62.300 0.040 0.000 1.126 281 V CB 0.926 32.769 31.823 0.034 0.000 1.085 281 V HN 0.556 nan 8.190 nan 0.000 0.480 282 V N 1.623 121.547 119.914 0.017 0.000 2.871 282 V HA -0.059 4.062 4.120 0.001 0.000 0.256 282 V C 2.393 178.499 176.094 0.020 0.000 1.082 282 V CA 1.736 64.040 62.300 0.007 0.000 1.105 282 V CB -1.440 30.381 31.823 -0.004 0.000 0.713 282 V HN 1.029 nan 8.190 nan 0.000 0.473 283 E N 0.541 120.760 120.200 0.030 0.000 2.204 283 E HA -0.221 4.130 4.350 0.001 0.000 0.195 283 E C 1.635 178.276 176.600 0.069 0.000 0.990 283 E CA 1.225 57.649 56.400 0.040 0.000 0.821 283 E CB -0.273 29.451 29.700 0.039 0.000 0.750 283 E HN 0.542 nan 8.360 nan 0.000 0.477 284 D N 1.256 121.707 120.400 0.085 0.000 2.228 284 D HA -0.073 4.567 4.640 0.001 0.000 0.203 284 D C 0.712 177.119 176.300 0.179 0.000 0.988 284 D CA 0.666 54.754 54.000 0.148 0.000 0.864 284 D CB -0.227 40.653 40.800 0.135 0.000 0.928 284 D HN -0.045 nan 8.370 nan 0.000 0.469 285 S N -0.682 115.073 115.700 0.092 0.000 2.572 285 S HA 0.398 4.869 4.470 0.001 0.000 0.262 285 S C 0.909 175.598 174.600 0.148 0.000 1.375 285 S CA 0.526 58.784 58.200 0.096 0.000 0.996 285 S CB 0.788 64.012 63.200 0.039 0.000 0.892 285 S HN 0.547 nan 8.310 nan 0.000 0.562 286 G N 0.593 109.482 108.800 0.149 0.000 2.316 286 G HA2 0.079 4.039 3.960 0.001 0.000 0.349 286 G HA3 0.079 4.039 3.960 0.001 0.000 0.349 286 G C -1.339 173.647 174.900 0.144 0.000 1.274 286 G CA -0.733 44.421 45.100 0.091 0.000 1.018 286 G HN 0.697 nan 8.290 nan 0.000 0.486 287 K N -0.359 120.060 120.400 0.032 0.000 2.207 287 K HA 0.724 5.045 4.320 0.001 0.000 0.255 287 K C -1.414 175.194 176.600 0.014 0.000 0.941 287 K CA -0.770 55.617 56.287 0.166 0.000 0.825 287 K CB 1.324 33.954 32.500 0.217 0.000 1.119 287 K HN 0.511 nan 8.250 nan 0.000 0.430 288 Y N 2.212 122.656 120.300 0.241 0.000 2.512 288 Y HA 0.456 5.006 4.550 0.001 0.000 0.348 288 Y C -0.811 175.175 175.900 0.142 0.000 0.990 288 Y CA -1.204 57.026 58.100 0.216 0.000 1.033 288 Y CB 1.916 40.594 38.460 0.364 0.000 1.259 288 Y HN 0.388 nan 8.280 nan 0.000 0.461 289 L N 3.122 124.415 121.223 0.116 0.000 2.385 289 L HA 0.671 5.011 4.340 0.001 0.000 0.273 289 L C -1.224 175.541 176.870 -0.176 0.000 0.990 289 L CA -0.962 53.837 54.840 -0.068 0.000 0.821 289 L CB 1.404 43.308 42.059 -0.258 0.000 1.279 289 L HN 0.841 nan 8.230 nan 0.000 0.412 290 c N 5.688 124.006 118.600 -0.469 0.000 2.295 290 c HA 0.845 5.415 4.570 0.001 0.000 0.331 290 c C -0.519 173.350 174.090 -0.369 0.000 1.280 290 c CA -0.407 55.463 56.329 -0.765 0.000 1.746 290 c CB 0.394 42.171 42.510 -1.221 0.000 2.328 290 c HN 0.631 nan 8.230 nan 0.000 0.521 291 V N 7.303 127.081 119.914 -0.228 0.000 2.407 291 V HA 0.534 4.655 4.120 0.001 0.000 0.291 291 V C -0.018 175.976 176.094 -0.168 0.000 1.018 291 V CA -0.349 61.859 62.300 -0.153 0.000 0.842 291 V CB 1.203 32.977 31.823 -0.081 0.000 0.996 291 V HN 0.837 nan 8.190 nan 0.000 0.426 292 V N 5.248 125.023 119.914 -0.230 0.000 2.555 292 V HA 0.728 4.849 4.120 0.001 0.000 0.302 292 V C -0.667 175.267 176.094 -0.268 0.000 1.038 292 V CA -0.260 61.827 62.300 -0.354 0.000 0.887 292 V CB 2.063 33.553 31.823 -0.554 0.000 0.991 292 V HN 1.006 nan 8.190 nan 0.000 0.434 293 N N 4.816 123.354 118.700 -0.270 0.000 2.369 293 N HA 0.578 5.318 4.740 0.001 0.000 0.287 293 N C -1.706 173.705 175.510 -0.165 0.000 1.067 293 N CA -0.764 52.181 53.050 -0.175 0.000 0.888 293 N CB 1.742 40.156 38.487 -0.122 0.000 1.616 293 N HN 0.986 nan 8.380 nan 0.000 0.482 294 N N -1.032 117.590 118.700 -0.130 0.000 2.902 294 N HA 0.212 4.953 4.740 0.001 0.000 0.268 294 N C 0.325 175.784 175.510 -0.084 0.000 1.450 294 N CA -0.678 52.306 53.050 -0.111 0.000 0.819 294 N CB 0.764 39.179 38.487 -0.120 0.000 1.540 294 N HN 0.366 nan 8.380 nan 0.000 0.545 295 S N -1.104 114.548 115.700 -0.079 0.000 2.488 295 S HA -0.096 4.375 4.470 0.001 0.000 0.246 295 S C 1.312 175.882 174.600 -0.051 0.000 0.992 295 S CA 1.165 59.328 58.200 -0.062 0.000 0.963 295 S CB -0.506 62.657 63.200 -0.062 0.000 0.754 295 S HN 0.366 nan 8.310 nan 0.000 0.519 296 V N 0.198 120.081 119.914 -0.052 0.000 3.263 296 V HA 0.499 4.620 4.120 0.001 0.000 0.248 296 V C 1.218 177.288 176.094 -0.040 0.000 1.145 296 V CA 0.837 63.115 62.300 -0.038 0.000 1.107 296 V CB 0.187 31.994 31.823 -0.028 0.000 0.797 296 V HN 0.786 nan 8.190 nan 0.000 0.467 297 G N -1.587 107.181 108.800 -0.053 0.000 2.441 297 G HA2 0.564 4.525 3.960 0.001 0.000 0.294 297 G HA3 0.564 4.525 3.960 0.001 0.000 0.294 297 G C -0.846 174.009 174.900 -0.074 0.000 1.393 297 G CA 0.084 45.151 45.100 -0.054 0.000 0.796 297 G HN 0.402 nan 8.290 nan 0.000 0.494 298 G N -1.609 107.147 108.800 -0.074 0.000 3.015 298 G HA2 0.832 4.793 3.960 0.001 0.000 0.281 298 G HA3 0.832 4.793 3.960 0.001 0.000 0.281 298 G C -1.229 173.615 174.900 -0.093 0.000 1.386 298 G CA 0.042 45.085 45.100 -0.094 0.000 0.959 298 G HN 0.976 nan 8.290 nan 0.000 0.522 299 E N -1.886 118.249 120.200 -0.109 0.000 2.393 299 E HA 0.510 4.860 4.350 0.001 0.000 0.278 299 E C -1.039 175.485 176.600 -0.126 0.000 1.171 299 E CA 0.024 56.363 56.400 -0.102 0.000 0.904 299 E CB 1.038 30.680 29.700 -0.097 0.000 1.309 299 E HN 1.250 nan 8.360 nan 0.000 0.423 300 S N 0.027 115.655 115.700 -0.120 0.000 2.565 300 S HA 0.756 5.226 4.470 0.001 0.000 0.269 300 S C -1.575 172.927 174.600 -0.163 0.000 1.153 300 S CA -0.150 57.959 58.200 -0.151 0.000 0.835 300 S CB 1.228 64.347 63.200 -0.135 0.000 1.122 300 S HN 1.557 nan 8.310 nan 0.000 0.462 301 V N 0.581 120.370 119.914 -0.207 0.000 2.567 301 V HA 0.644 4.764 4.120 0.001 0.000 0.298 301 V C -0.676 175.295 176.094 -0.206 0.000 1.047 301 V CA -0.457 61.712 62.300 -0.219 0.000 0.880 301 V CB 1.336 33.065 31.823 -0.158 0.000 1.009 301 V HN 1.024 nan 8.190 nan 0.000 0.429 302 E N 3.538 123.584 120.200 -0.256 0.000 2.374 302 E HA 0.661 5.012 4.350 0.001 0.000 0.260 302 E C -0.498 176.040 176.600 -0.103 0.000 1.101 302 E CA -0.313 56.017 56.400 -0.116 0.000 0.907 302 E CB 1.573 31.211 29.700 -0.103 0.000 1.014 302 E HN 0.889 nan 8.360 nan 0.000 0.427 303 T N -0.420 114.150 114.554 0.027 0.000 2.982 303 T HA 0.316 4.667 4.350 0.001 0.000 0.321 303 T C -0.842 173.898 174.700 0.066 0.000 1.229 303 T CA -0.760 61.351 62.100 0.019 0.000 1.044 303 T CB 1.371 70.367 68.868 0.213 0.000 1.184 303 T HN 0.161 nan 8.240 nan 0.000 0.477 304 V N 3.123 122.990 119.914 -0.078 0.000 2.376 304 V HA 0.481 4.602 4.120 0.001 0.000 0.287 304 V C -0.728 175.422 176.094 0.094 0.000 1.015 304 V CA -0.777 61.544 62.300 0.034 0.000 0.834 304 V CB 1.318 33.125 31.823 -0.026 0.000 1.001 304 V HN 0.771 nan 8.190 nan 0.000 0.428 305 L N 5.731 127.051 121.223 0.161 0.000 2.264 305 L HA 0.663 5.004 4.340 0.001 0.000 0.289 305 L C 0.452 177.349 176.870 0.044 0.000 1.044 305 L CA 0.618 55.495 54.840 0.063 0.000 0.807 305 L CB 1.451 43.566 42.059 0.092 0.000 1.192 305 L HN 0.740 nan 8.230 nan 0.000 0.425 306 T N 3.671 118.214 114.554 -0.018 0.000 3.327 306 T HA 0.324 4.674 4.350 0.001 0.000 0.373 306 T C -0.025 174.631 174.700 -0.073 0.000 1.589 306 T CA -0.494 61.596 62.100 -0.016 0.000 1.497 306 T CB 0.269 69.146 68.868 0.015 0.000 1.032 306 T HN 0.263 nan 8.240 nan 0.000 0.640 307 V N 4.030 123.886 119.914 -0.096 0.000 2.655 307 V HA 0.344 4.465 4.120 0.001 0.000 0.300 307 V C 1.118 177.171 176.094 -0.069 0.000 1.044 307 V CA 0.188 62.419 62.300 -0.116 0.000 1.095 307 V CB 0.684 32.443 31.823 -0.107 0.000 0.952 307 V HN 0.991 nan 8.190 nan 0.000 0.485 308 T N 2.846 117.360 114.554 -0.068 0.000 2.912 308 T HA 0.887 5.238 4.350 0.001 0.000 0.288 308 T C -0.406 174.268 174.700 -0.044 0.000 1.030 308 T CA -0.277 61.793 62.100 -0.051 0.000 1.020 308 T CB 2.103 70.941 68.868 -0.050 0.000 1.056 308 T HN 0.995 nan 8.240 nan 0.000 0.480 309 A N 1.856 124.652 122.820 -0.040 0.000 2.435 309 A HA 0.897 5.217 4.320 0.001 0.000 0.296 309 A C -2.916 174.647 177.584 -0.035 0.000 1.147 309 A CA -2.142 49.874 52.037 -0.035 0.000 0.775 309 A CB 0.850 19.829 19.000 -0.034 0.000 1.340 309 A HN 0.676 nan 8.150 nan 0.000 0.427 310 P HA 0.308 nan 4.420 nan 0.000 0.274 310 P C -0.011 177.271 177.300 -0.031 0.000 1.504 310 P CA -0.228 62.854 63.100 -0.030 0.000 1.011 310 P CB 0.043 31.729 31.700 -0.024 0.000 1.366 311 L N 0.396 121.597 121.223 -0.038 0.000 2.474 311 L HA 0.608 4.949 4.340 0.001 0.000 0.259 311 L C -0.258 176.590 176.870 -0.036 0.000 1.232 311 L CA 0.120 54.937 54.840 -0.039 0.000 0.821 311 L CB 0.246 42.276 42.059 -0.049 0.000 1.108 311 L HN 0.132 nan 8.230 nan 0.000 0.495 312 S N -0.404 115.281 115.700 -0.026 0.000 2.596 312 S HA 0.845 5.316 4.470 0.001 0.000 0.270 312 S C -1.092 173.489 174.600 -0.032 0.000 1.155 312 S CA -0.300 57.881 58.200 -0.032 0.000 0.827 312 S CB 1.829 65.023 63.200 -0.010 0.000 1.130 312 S HN 1.088 nan 8.310 nan 0.000 0.467 313 A N 1.786 124.562 122.820 -0.074 0.000 2.427 313 A HA 0.838 5.158 4.320 0.001 0.000 0.298 313 A C -1.456 176.067 177.584 -0.101 0.000 1.036 313 A CA -0.876 51.103 52.037 -0.097 0.000 0.701 313 A CB 1.063 19.959 19.000 -0.173 0.000 1.250 313 A HN 0.677 nan 8.150 nan 0.000 0.412 314 K N 3.003 123.351 120.400 -0.086 0.000 2.550 314 K HA 0.584 4.905 4.320 0.001 0.000 0.252 314 K C -0.913 175.640 176.600 -0.078 0.000 0.943 314 K CA -0.505 55.736 56.287 -0.076 0.000 0.806 314 K CB 2.046 34.516 32.500 -0.050 0.000 1.289 314 K HN 0.625 nan 8.250 nan 0.000 0.435 315 I N 0.153 120.673 120.570 -0.084 0.000 3.110 315 I HA 0.327 4.498 4.170 0.001 0.000 0.314 315 I C -0.332 175.761 176.117 -0.041 0.000 1.020 315 I CA -0.479 60.777 61.300 -0.074 0.000 1.169 315 I CB 0.777 38.671 38.000 -0.177 0.000 1.437 315 I HN 0.622 nan 8.210 nan 0.000 0.595 316 D N 3.094 123.497 120.400 0.006 0.000 2.346 316 D HA 0.430 5.070 4.640 0.001 0.000 0.255 316 D C -2.731 173.648 176.300 0.131 0.000 1.276 316 D CA -1.536 52.492 54.000 0.047 0.000 0.941 316 D CB 1.565 42.386 40.800 0.035 0.000 1.199 316 D HN 0.112 nan 8.370 nan 0.000 0.537 317 P HA 0.441 nan 4.420 nan 0.000 0.286 317 P C -2.102 175.228 177.300 0.051 0.000 1.292 317 P CA -1.419 61.724 63.100 0.071 0.000 0.842 317 P CB 1.020 32.760 31.700 0.067 0.000 1.207 318 P HA -0.016 nan 4.420 nan 0.000 0.233 318 P C -0.153 177.168 177.300 0.034 0.000 1.167 318 P CA 1.214 64.313 63.100 -0.002 0.000 0.770 318 P CB 0.036 31.732 31.700 -0.007 0.000 0.837 319 T N -3.033 111.557 114.554 0.059 0.000 3.109 319 T HA 0.368 4.718 4.350 0.001 0.000 0.311 319 T C -1.258 173.485 174.700 0.072 0.000 1.011 319 T CA -0.685 61.450 62.100 0.059 0.000 1.026 319 T CB 1.815 70.681 68.868 -0.003 0.000 1.047 319 T HN -0.090 nan 8.240 nan 0.000 0.448 320 Q N 2.669 122.524 119.800 0.092 0.000 2.303 320 Q HA 0.417 4.758 4.340 0.001 0.000 0.267 320 Q C -0.818 175.162 176.000 -0.033 0.000 1.011 320 Q CA -0.507 55.310 55.803 0.024 0.000 0.740 320 Q CB 1.843 30.587 28.738 0.010 0.000 1.250 320 Q HN 0.884 nan 8.270 nan 0.000 0.458 321 T N 2.878 117.408 114.554 -0.040 0.000 2.737 321 T HA 0.403 4.753 4.350 0.001 0.000 0.296 321 T C 0.444 175.105 174.700 -0.065 0.000 0.922 321 T CA -0.411 61.658 62.100 -0.051 0.000 1.079 321 T CB 0.017 68.863 68.868 -0.038 0.000 0.892 321 T HN 0.402 nan 8.240 nan 0.000 0.514 322 V N 3.310 123.168 119.914 -0.093 0.000 3.871 322 V HA 0.664 4.785 4.120 0.001 0.000 0.274 322 V C 0.042 176.096 176.094 -0.067 0.000 1.104 322 V CA -0.674 61.561 62.300 -0.107 0.000 0.852 322 V CB 0.565 32.286 31.823 -0.171 0.000 1.222 322 V HN 0.859 nan 8.190 nan 0.000 0.420 323 D N -1.496 118.864 120.400 -0.066 0.000 2.857 323 D HA 0.291 4.931 4.640 0.001 0.000 0.227 323 D C -1.197 175.110 176.300 0.012 0.000 1.192 323 D CA -0.327 53.673 54.000 0.000 0.000 0.857 323 D CB 2.327 43.131 40.800 0.006 0.000 1.645 323 D HN 0.446 nan 8.370 nan 0.000 0.482 324 F N 1.525 121.458 119.950 -0.029 0.000 2.624 324 F HA 0.284 4.811 4.527 0.001 0.000 0.352 324 F C 1.267 177.047 175.800 -0.033 0.000 1.275 324 F CA 0.892 58.876 58.000 -0.027 0.000 1.220 324 F CB -0.383 38.608 39.000 -0.016 0.000 1.674 324 F HN 0.697 nan 8.300 nan 0.000 0.683 325 G N 2.271 111.086 108.800 0.025 0.000 2.321 325 G HA2 -0.114 3.846 3.960 0.001 0.000 0.177 325 G HA3 -0.114 3.846 3.960 0.001 0.000 0.177 325 G C -0.037 174.845 174.900 -0.031 0.000 1.072 325 G CA -0.955 44.158 45.100 0.022 0.000 0.768 325 G HN 0.351 nan 8.290 nan 0.000 0.481 326 R N -0.130 120.321 120.500 -0.081 0.000 2.719 326 R HA 0.626 4.966 4.340 0.001 0.000 0.233 326 R C -1.823 174.403 176.300 -0.124 0.000 1.257 326 R CA -1.406 54.640 56.100 -0.090 0.000 1.109 326 R CB 0.729 30.971 30.300 -0.097 0.000 1.447 326 R HN 0.214 nan 8.270 nan 0.000 0.537 327 P HA 0.147 nan 4.420 nan 0.000 0.306 327 P C -1.170 175.995 177.300 -0.226 0.000 1.301 327 P CA -0.131 62.881 63.100 -0.147 0.000 0.744 327 P CB 0.419 32.052 31.700 -0.112 0.000 1.400 328 A N -0.644 122.028 122.820 -0.248 0.000 2.686 328 A HA 0.372 4.693 4.320 0.001 0.000 0.299 328 A C -0.939 176.481 177.584 -0.274 0.000 1.151 328 A CA -0.497 51.304 52.037 -0.393 0.000 0.851 328 A CB 0.095 18.782 19.000 -0.523 0.000 1.448 328 A HN 0.126 nan 8.150 nan 0.000 0.404 329 V N 3.005 122.810 119.914 -0.182 0.000 2.326 329 V HA 0.244 4.364 4.120 0.001 0.000 0.249 329 V C -0.381 175.833 176.094 0.199 0.000 1.114 329 V CA 0.360 62.654 62.300 -0.010 0.000 1.028 329 V CB -0.769 31.059 31.823 0.008 0.000 1.170 329 V HN 0.681 nan 8.190 nan 0.000 0.494 330 F N 2.456 122.379 119.950 -0.046 0.000 2.761 330 F HA 0.337 4.865 4.527 0.001 0.000 0.367 330 F C 1.190 177.081 175.800 0.152 0.000 1.386 330 F CA -0.854 57.154 58.000 0.012 0.000 1.177 330 F CB 0.361 39.279 39.000 -0.136 0.000 1.092 330 F HN 0.369 nan 8.300 nan 0.000 0.517 331 T N 0.583 115.285 114.554 0.247 0.000 2.748 331 T HA 0.309 4.659 4.350 0.001 0.000 0.304 331 T C 0.039 174.817 174.700 0.129 0.000 1.041 331 T CA -0.146 62.058 62.100 0.174 0.000 1.033 331 T CB 0.915 69.827 68.868 0.075 0.000 0.995 331 T HN 0.469 nan 8.240 nan 0.000 0.536 332 C N 1.443 120.776 119.300 0.055 0.000 2.432 332 C HA 0.704 5.165 4.460 0.001 0.000 0.334 332 C C -0.295 174.601 174.990 -0.157 0.000 1.155 332 C CA -1.243 57.759 59.018 -0.027 0.000 1.335 332 C CB 0.170 27.895 27.740 -0.024 0.000 1.964 332 C HN 0.850 nan 8.230 nan 0.000 0.444 333 Q N 2.481 122.187 119.800 -0.158 0.000 2.474 333 Q HA 0.586 4.927 4.340 0.001 0.000 0.256 333 Q C -0.555 175.375 176.000 -0.118 0.000 1.048 333 Q CA 0.607 56.272 55.803 -0.230 0.000 0.922 333 Q CB 0.426 29.096 28.738 -0.114 0.000 1.288 333 Q HN 0.975 nan 8.270 nan 0.000 0.484 334 Y N -1.924 118.367 120.300 -0.014 0.000 2.641 334 Y HA 0.704 5.254 4.550 0.001 0.000 0.333 334 Y C -1.318 174.572 175.900 -0.016 0.000 1.174 334 Y CA -0.772 57.315 58.100 -0.022 0.000 1.057 334 Y CB 1.068 39.514 38.460 -0.023 0.000 1.322 334 Y HN 0.730 nan 8.280 nan 0.000 0.457 335 T N -0.686 113.988 114.554 0.199 0.000 2.886 335 T HA 0.816 5.167 4.350 0.001 0.000 0.330 335 T C -0.333 174.359 174.700 -0.014 0.000 1.488 335 T CA -0.289 61.843 62.100 0.054 0.000 1.054 335 T CB 1.150 70.050 68.868 0.053 0.000 1.348 335 T HN 2.353 nan 8.240 nan 0.000 0.489 336 G N 0.727 109.492 108.800 -0.058 0.000 2.353 336 G HA2 0.413 4.374 3.960 0.001 0.000 0.424 336 G HA3 0.413 4.374 3.960 0.001 0.000 0.424 336 G C -1.645 173.204 174.900 -0.084 0.000 1.320 336 G CA -0.183 44.882 45.100 -0.058 0.000 0.995 336 G HN 1.899 nan 8.290 nan 0.000 0.580 337 N N -0.231 118.429 118.700 -0.066 0.000 4.711 337 N HA 0.474 5.215 4.740 0.001 0.000 0.175 337 N C -3.396 172.084 175.510 -0.049 0.000 1.031 337 N CA -0.345 52.666 53.050 -0.064 0.000 1.143 337 N CB 2.525 40.974 38.487 -0.062 0.000 1.585 337 N HN 0.518 nan 8.380 nan 0.000 0.817 338 P HA 0.513 nan 4.420 nan 0.000 0.287 338 P C -0.883 176.390 177.300 -0.044 0.000 1.279 338 P CA -0.543 62.530 63.100 -0.044 0.000 0.867 338 P CB 1.373 33.055 31.700 -0.030 0.000 1.127 339 I N 2.135 122.675 120.570 -0.049 0.000 2.321 339 I HA 0.292 4.463 4.170 0.001 0.000 0.291 339 I C 1.672 177.774 176.117 -0.025 0.000 0.998 339 I CA 0.087 61.363 61.300 -0.040 0.000 1.227 339 I CB 1.204 39.175 38.000 -0.050 0.000 1.368 339 I HN 0.361 nan 8.210 nan 0.000 0.466 340 K N 3.303 123.694 120.400 -0.015 0.000 2.352 340 K HA 0.218 4.539 4.320 0.001 0.000 0.194 340 K C -0.718 175.881 176.600 -0.002 0.000 1.038 340 K CA 0.593 56.876 56.287 -0.007 0.000 1.023 340 K CB 0.419 32.916 32.500 -0.004 0.000 0.840 340 K HN 0.874 nan 8.250 nan 0.000 0.519 341 T N -2.474 112.079 114.554 -0.002 0.000 3.478 341 T HA 0.101 4.451 4.350 0.001 0.000 0.436 341 T C -0.719 173.979 174.700 -0.004 0.000 1.554 341 T CA -1.084 61.017 62.100 0.000 0.000 1.084 341 T CB 0.049 68.921 68.868 0.008 0.000 1.531 341 T HN -0.190 nan 8.240 nan 0.000 0.452 342 V N 2.460 122.364 119.914 -0.018 0.000 2.881 342 V HA 0.691 4.811 4.120 0.001 0.000 0.303 342 V C 0.714 176.772 176.094 -0.060 0.000 1.070 342 V CA -0.282 61.986 62.300 -0.053 0.000 1.074 342 V CB 1.471 33.243 31.823 -0.085 0.000 1.012 342 V HN 1.141 nan 8.190 nan 0.000 0.482 343 S N 0.824 116.472 115.700 -0.086 0.000 2.715 343 S HA 0.743 5.213 4.470 0.001 0.000 0.307 343 S C -1.305 173.182 174.600 -0.188 0.000 1.119 343 S CA -0.619 57.545 58.200 -0.061 0.000 0.937 343 S CB 1.771 64.954 63.200 -0.027 0.000 1.150 343 S HN 0.693 nan 8.310 nan 0.000 0.521 344 W N 1.152 122.465 121.300 0.021 0.000 3.031 344 W HA 0.761 5.421 4.660 0.001 0.000 0.337 344 W C -0.465 176.063 176.519 0.015 0.000 1.187 344 W CA -0.759 56.630 57.345 0.073 0.000 1.166 344 W CB 1.639 31.171 29.460 0.120 0.000 1.437 344 W HN 0.787 nan 8.180 nan 0.000 0.551 345 M N 0.871 120.737 119.600 0.443 0.000 3.069 345 M HA 0.508 4.989 4.480 0.001 0.000 0.274 345 M C -2.116 174.275 176.300 0.150 0.000 1.146 345 M CA -1.089 54.326 55.300 0.191 0.000 0.807 345 M CB 2.438 35.025 32.600 -0.020 0.000 1.621 345 M HN 0.258 nan 8.290 nan 0.000 0.521 346 K N 1.380 121.757 120.400 -0.039 0.000 2.601 346 K HA 0.315 4.636 4.320 0.001 0.000 0.249 346 K C -1.593 174.906 176.600 -0.167 0.000 0.966 346 K CA -0.179 55.947 56.287 -0.269 0.000 0.827 346 K CB 1.101 33.237 32.500 -0.607 0.000 1.178 346 K HN 0.869 nan 8.250 nan 0.000 0.437 347 D N 3.279 123.608 120.400 -0.119 0.000 2.828 347 D HA -0.160 4.480 4.640 0.001 0.000 0.241 347 D C 0.757 177.038 176.300 -0.032 0.000 1.142 347 D CA 1.989 55.953 54.000 -0.060 0.000 0.755 347 D CB -1.147 39.611 40.800 -0.069 0.000 1.014 347 D HN 1.073 nan 8.370 nan 0.000 0.420 348 G N -0.252 108.542 108.800 -0.011 0.000 2.228 348 G HA2 -0.400 3.560 3.960 0.001 0.000 0.270 348 G HA3 -0.400 3.560 3.960 0.001 0.000 0.270 348 G C 0.394 175.275 174.900 -0.031 0.000 0.976 348 G CA 0.962 46.056 45.100 -0.009 0.000 0.636 348 G HN 0.532 nan 8.290 nan 0.000 0.542 349 K N 0.785 121.161 120.400 -0.039 0.000 2.274 349 K HA 0.668 4.989 4.320 0.001 0.000 0.262 349 K C 0.382 176.957 176.600 -0.041 0.000 0.961 349 K CA -0.056 56.208 56.287 -0.039 0.000 0.833 349 K CB 1.759 34.241 32.500 -0.031 0.000 1.102 349 K HN 0.418 nan 8.250 nan 0.000 0.436 350 A N 3.982 126.773 122.820 -0.048 0.000 2.450 350 A HA 0.186 4.507 4.320 0.001 0.000 0.255 350 A C 1.082 178.672 177.584 0.011 0.000 1.096 350 A CA -0.232 51.783 52.037 -0.037 0.000 0.778 350 A CB -0.211 18.753 19.000 -0.061 0.000 1.031 350 A HN 0.921 nan 8.150 nan 0.000 0.494 351 I N -0.158 120.448 120.570 0.059 0.000 2.834 351 I HA 0.545 4.715 4.170 0.001 0.000 0.239 351 I C 1.242 177.412 176.117 0.088 0.000 1.073 351 I CA 0.757 62.105 61.300 0.079 0.000 1.459 351 I CB -0.090 37.981 38.000 0.119 0.000 1.288 351 I HN 0.711 nan 8.210 nan 0.000 0.455 352 G N -0.138 108.743 108.800 0.134 0.000 3.468 352 G HA2 -0.106 3.855 3.960 0.001 0.000 0.219 352 G HA3 -0.106 3.855 3.960 0.001 0.000 0.219 352 G C -0.075 174.940 174.900 0.192 0.000 0.968 352 G CA -0.111 45.065 45.100 0.127 0.000 0.851 352 G HN 0.612 nan 8.290 nan 0.000 0.524 353 H N 2.046 121.189 119.070 0.121 0.000 2.764 353 H HA 0.578 5.135 4.556 0.001 0.000 0.341 353 H C 0.533 176.044 175.328 0.306 0.000 1.072 353 H CA 0.566 56.694 56.048 0.133 0.000 1.444 353 H CB 1.287 31.043 29.762 -0.011 0.000 1.458 353 H HN 0.293 nan 8.280 nan 0.000 0.572 354 S N 4.275 119.914 115.700 -0.101 0.000 2.300 354 S HA 0.401 4.872 4.470 0.001 0.000 0.172 354 S C -0.654 173.873 174.600 -0.122 0.000 1.484 354 S CA -0.892 57.287 58.200 -0.035 0.000 1.265 354 S CB 0.172 63.396 63.200 0.040 0.000 1.313 354 S HN 0.723 nan 8.310 nan 0.000 0.387 355 E N 0.134 120.148 120.200 -0.310 0.000 2.458 355 E HA 0.428 4.779 4.350 0.001 0.000 0.278 355 E C 0.011 176.766 176.600 0.258 0.000 1.004 355 E CA -1.021 55.374 56.400 -0.009 0.000 0.823 355 E CB 1.153 30.923 29.700 0.117 0.000 1.396 355 E HN 0.135 nan 8.360 nan 0.000 0.463 356 S N -0.168 115.687 115.700 0.259 0.000 2.377 356 S HA -0.109 4.362 4.470 0.001 0.000 0.224 356 S C 0.960 175.822 174.600 0.436 0.000 1.042 356 S CA 1.090 59.468 58.200 0.297 0.000 1.086 356 S CB -0.013 63.309 63.200 0.203 0.000 0.995 356 S HN 0.296 nan 8.310 nan 0.000 0.428 357 V N 2.499 122.630 119.914 0.362 0.000 2.370 357 V HA 0.403 4.524 4.120 0.001 0.000 0.283 357 V C -0.178 176.057 176.094 0.236 0.000 1.023 357 V CA -0.486 61.998 62.300 0.307 0.000 0.857 357 V CB 1.243 33.170 31.823 0.173 0.000 0.985 357 V HN 0.373 nan 8.190 nan 0.000 0.443 358 L N 7.084 128.328 121.223 0.034 0.000 2.349 358 L HA 0.699 5.040 4.340 0.001 0.000 0.275 358 L C 0.106 176.822 176.870 -0.256 0.000 1.115 358 L CA -0.272 54.379 54.840 -0.314 0.000 0.820 358 L CB 0.611 42.142 42.059 -0.880 0.000 1.135 358 L HN 0.924 nan 8.230 nan 0.000 0.445 359 R N 3.887 124.178 120.500 -0.348 0.000 2.522 359 R HA 0.510 4.851 4.340 0.001 0.000 0.273 359 R C -2.038 174.084 176.300 -0.297 0.000 1.133 359 R CA -0.814 55.094 56.100 -0.320 0.000 0.969 359 R CB 0.992 31.157 30.300 -0.224 0.000 1.235 359 R HN 0.426 nan 8.270 nan 0.000 0.433 360 I N 3.228 123.629 120.570 -0.282 0.000 2.359 360 I HA 0.195 4.365 4.170 0.001 0.000 0.284 360 I C 1.014 177.024 176.117 -0.178 0.000 1.018 360 I CA -0.345 60.834 61.300 -0.202 0.000 1.173 360 I CB 1.761 39.664 38.000 -0.163 0.000 1.326 360 I HN 0.773 nan 8.210 nan 0.000 0.462 361 E N 1.958 122.074 120.200 -0.140 0.000 2.209 361 E HA -0.133 4.218 4.350 0.001 0.000 0.196 361 E C 0.516 177.058 176.600 -0.095 0.000 0.993 361 E CA 0.793 57.124 56.400 -0.115 0.000 0.819 361 E CB 0.164 29.812 29.700 -0.087 0.000 0.745 361 E HN 0.431 nan 8.360 nan 0.000 0.477 362 S N 0.904 116.554 115.700 -0.084 0.000 2.669 362 S HA 0.287 4.758 4.470 0.001 0.000 0.315 362 S C -0.169 174.385 174.600 -0.077 0.000 1.106 362 S CA -0.789 57.376 58.200 -0.057 0.000 1.107 362 S CB 0.664 63.851 63.200 -0.022 0.000 0.990 362 S HN -0.044 nan 8.310 nan 0.000 0.471 363 V N 4.150 123.993 119.914 -0.119 0.000 3.376 363 V HA 0.545 4.665 4.120 0.001 0.000 0.303 363 V C 0.464 176.444 176.094 -0.190 0.000 1.100 363 V CA -0.368 61.815 62.300 -0.195 0.000 1.126 363 V CB 0.871 32.513 31.823 -0.302 0.000 1.085 363 V HN 0.855 nan 8.190 nan 0.000 0.480 364 K N 0.249 120.503 120.400 -0.244 0.000 2.367 364 K HA 0.478 4.798 4.320 0.001 0.000 0.272 364 K C 0.403 176.884 176.600 -0.199 0.000 1.046 364 K CA -0.657 55.553 56.287 -0.127 0.000 0.895 364 K CB 1.427 33.924 32.500 -0.005 0.000 1.512 364 K HN 0.283 nan 8.250 nan 0.000 0.433 365 K N 0.718 121.131 120.400 0.021 0.000 2.021 365 K HA 0.002 4.323 4.320 0.001 0.000 0.205 365 K C 1.075 177.691 176.600 0.025 0.000 1.047 365 K CA 1.832 58.151 56.287 0.053 0.000 0.943 365 K CB -0.016 32.577 32.500 0.155 0.000 0.725 365 K HN 0.608 nan 8.250 nan 0.000 0.439 366 E N 0.123 120.344 120.200 0.035 0.000 2.485 366 E HA -0.110 4.240 4.350 0.001 0.000 0.194 366 E C -0.543 176.075 176.600 0.029 0.000 1.098 366 E CA 0.665 57.082 56.400 0.029 0.000 0.878 366 E CB -0.042 29.674 29.700 0.027 0.000 0.939 366 E HN 0.138 nan 8.360 nan 0.000 0.503 367 D N 1.391 121.802 120.400 0.018 0.000 2.738 367 D HA 0.150 4.791 4.640 0.001 0.000 0.246 367 D C -0.536 175.826 176.300 0.104 0.000 1.270 367 D CA -0.040 53.992 54.000 0.052 0.000 0.833 367 D CB 0.189 40.983 40.800 -0.012 0.000 1.040 367 D HN 0.340 nan 8.370 nan 0.000 0.487 368 K N -1.733 118.739 120.400 0.120 0.000 2.498 368 K HA 0.773 5.093 4.320 0.001 0.000 0.254 368 K C 0.093 176.808 176.600 0.191 0.000 0.933 368 K CA -1.053 55.344 56.287 0.183 0.000 0.806 368 K CB 2.590 35.138 32.500 0.079 0.000 1.301 368 K HN -0.047 nan 8.250 nan 0.000 0.432 369 G N 1.598 110.571 108.800 0.289 0.000 2.591 369 G HA2 0.156 4.116 3.960 0.001 0.000 0.104 369 G HA3 0.156 4.116 3.960 0.001 0.000 0.104 369 G C -1.536 173.500 174.900 0.227 0.000 1.097 369 G CA -0.817 44.387 45.100 0.174 0.000 1.076 369 G HN 0.415 nan 8.290 nan 0.000 0.485 370 M N 0.925 120.560 119.600 0.060 0.000 2.311 370 M HA 0.579 5.060 4.480 0.001 0.000 0.325 370 M C -1.677 174.642 176.300 0.032 0.000 1.061 370 M CA -0.432 54.955 55.300 0.146 0.000 0.957 370 M CB 1.195 33.846 32.600 0.084 0.000 1.646 370 M HN 0.531 nan 8.290 nan 0.000 0.434 371 Y N 1.308 121.735 120.300 0.212 0.000 2.376 371 Y HA 0.527 5.078 4.550 0.001 0.000 0.340 371 Y C -0.292 175.789 175.900 0.301 0.000 0.965 371 Y CA -0.882 57.408 58.100 0.317 0.000 1.078 371 Y CB 1.994 40.719 38.460 0.442 0.000 1.193 371 Y HN 0.559 nan 8.280 nan 0.000 0.452 372 Q N 2.067 122.160 119.800 0.488 0.000 2.323 372 Q HA 0.485 4.825 4.340 0.001 0.000 0.271 372 Q C -1.344 174.638 176.000 -0.030 0.000 1.048 372 Q CA -0.711 55.235 55.803 0.239 0.000 0.792 372 Q CB 2.689 31.629 28.738 0.336 0.000 1.280 372 Q HN 0.699 nan 8.270 nan 0.000 0.441 373 C N 1.965 120.947 119.300 -0.530 0.000 2.534 373 C HA 0.550 5.010 4.460 0.001 0.000 0.385 373 C C -0.881 174.005 174.990 -0.173 0.000 1.264 373 C CA -0.022 58.500 59.018 -0.827 0.000 2.342 373 C CB -0.148 27.057 27.740 -0.891 0.000 2.564 373 C HN 0.769 nan 8.230 nan 0.000 0.603 374 F N 3.408 123.126 119.950 -0.387 0.000 2.676 374 F HA 0.263 4.791 4.527 0.001 0.000 0.371 374 F C 0.395 176.096 175.800 -0.165 0.000 1.141 374 F CA -0.695 57.181 58.000 -0.207 0.000 1.133 374 F CB 1.167 40.086 39.000 -0.136 0.000 1.376 374 F HN 0.425 nan 8.300 nan 0.000 0.491 375 V N 2.263 122.123 119.914 -0.090 0.000 2.055 375 V HA 0.391 4.511 4.120 0.001 0.000 0.248 375 V C 0.943 177.017 176.094 -0.034 0.000 1.476 375 V CA -0.511 61.751 62.300 -0.063 0.000 1.417 375 V CB -1.090 30.687 31.823 -0.077 0.000 1.465 375 V HN 0.566 nan 8.190 nan 0.000 0.502 376 R N 2.865 123.372 120.500 0.012 0.000 3.066 376 R HA 0.494 4.835 4.340 0.001 0.000 0.220 376 R C 0.545 176.847 176.300 0.004 0.000 1.122 376 R CA 0.640 56.755 56.100 0.025 0.000 1.083 376 R CB 0.166 30.502 30.300 0.061 0.000 0.947 376 R HN 0.968 nan 8.270 nan 0.000 0.495 377 N N -1.992 116.715 118.700 0.012 0.000 3.594 377 N HA -0.085 4.655 4.740 0.001 0.000 0.262 377 N C -0.805 174.708 175.510 0.005 0.000 1.265 377 N CA -0.470 52.581 53.050 0.000 0.000 0.725 377 N CB -0.129 38.349 38.487 -0.014 0.000 1.624 377 N HN 0.278 nan 8.380 nan 0.000 0.348 378 D N -0.187 120.209 120.400 -0.007 0.000 2.183 378 D HA 0.135 4.776 4.640 0.001 0.000 0.205 378 D C 0.455 176.741 176.300 -0.023 0.000 0.962 378 D CA 1.231 55.225 54.000 -0.010 0.000 0.849 378 D CB 0.168 40.956 40.800 -0.020 0.000 0.978 378 D HN 0.335 nan 8.370 nan 0.000 0.488 379 R N 0.126 120.604 120.500 -0.037 0.000 2.748 379 R HA 0.372 4.713 4.340 0.001 0.000 0.395 379 R C 0.092 176.355 176.300 -0.062 0.000 1.128 379 R CA -0.075 55.985 56.100 -0.067 0.000 1.042 379 R CB 1.305 31.561 30.300 -0.073 0.000 1.392 379 R HN 0.057 nan 8.270 nan 0.000 0.582 380 E N 0.431 120.615 120.200 -0.027 0.000 2.050 380 E HA 0.151 4.501 4.350 0.001 0.000 0.243 380 E C -1.865 174.746 176.600 0.018 0.000 1.580 380 E CA -0.337 56.058 56.400 -0.009 0.000 0.976 380 E CB 1.387 31.071 29.700 -0.027 0.000 1.509 380 E HN 0.105 nan 8.360 nan 0.000 0.520 381 S N -0.239 115.460 115.700 -0.002 0.000 2.709 381 S HA 0.643 5.114 4.470 0.001 0.000 0.305 381 S C -1.438 173.112 174.600 -0.083 0.000 0.974 381 S CA -0.325 57.861 58.200 -0.023 0.000 0.837 381 S CB 0.512 63.724 63.200 0.020 0.000 1.032 381 S HN 0.892 nan 8.310 nan 0.000 0.461 382 A N 1.863 124.607 122.820 -0.126 0.000 2.346 382 A HA 1.004 5.325 4.320 0.001 0.000 0.313 382 A C -0.241 177.152 177.584 -0.318 0.000 1.140 382 A CA -0.404 51.523 52.037 -0.184 0.000 0.826 382 A CB 1.499 20.421 19.000 -0.130 0.000 1.332 382 A HN 1.354 nan 8.150 nan 0.000 0.457 383 E N -0.374 119.604 120.200 -0.371 0.000 2.393 383 E HA 0.781 5.132 4.350 0.001 0.000 0.273 383 E C -0.590 175.823 176.600 -0.312 0.000 0.918 383 E CA -0.693 55.386 56.400 -0.535 0.000 0.773 383 E CB 1.999 31.180 29.700 -0.865 0.000 1.275 383 E HN 1.017 nan 8.360 nan 0.000 0.451 384 A N 1.030 123.677 122.820 -0.288 0.000 2.464 384 A HA 0.913 5.233 4.320 0.001 0.000 0.268 384 A C -0.907 176.625 177.584 -0.086 0.000 1.244 384 A CA -0.228 51.708 52.037 -0.169 0.000 0.871 384 A CB 1.538 20.415 19.000 -0.206 0.000 1.400 384 A HN 1.018 nan 8.150 nan 0.000 0.455 385 S N -1.964 113.704 115.700 -0.054 0.000 2.542 385 S HA 0.782 5.252 4.470 0.001 0.000 0.276 385 S C -0.828 173.758 174.600 -0.024 0.000 1.148 385 S CA -0.048 58.156 58.200 0.006 0.000 0.886 385 S CB 1.011 64.230 63.200 0.032 0.000 1.109 385 S HN 2.419 nan 8.310 nan 0.000 0.458 386 A N 1.555 124.388 122.820 0.022 0.000 2.566 386 A HA 0.804 5.125 4.320 0.001 0.000 0.297 386 A C -0.935 176.774 177.584 0.208 0.000 1.059 386 A CA -0.707 51.326 52.037 -0.007 0.000 0.691 386 A CB 1.426 20.158 19.000 -0.446 0.000 1.282 386 A HN 1.137 nan 8.150 nan 0.000 0.401 387 E N 0.889 121.210 120.200 0.201 0.000 2.244 387 E HA 0.708 5.058 4.350 0.001 0.000 0.266 387 E C -1.587 175.155 176.600 0.238 0.000 0.914 387 E CA -0.847 55.689 56.400 0.226 0.000 0.794 387 E CB 1.960 31.700 29.700 0.066 0.000 1.210 387 E HN 0.487 nan 8.360 nan 0.000 0.414 388 L N 3.551 124.917 121.223 0.238 0.000 2.387 388 L HA 0.267 4.608 4.340 0.001 0.000 0.259 388 L C -0.340 176.557 176.870 0.045 0.000 1.050 388 L CA -0.427 54.486 54.840 0.122 0.000 0.922 388 L CB 0.308 42.444 42.059 0.129 0.000 1.280 388 L HN 0.509 nan 8.230 nan 0.000 0.449 389 K N 2.915 123.299 120.400 -0.027 0.000 2.187 389 K HA 0.335 4.655 4.320 0.001 0.000 0.247 389 K C -0.692 175.891 176.600 -0.029 0.000 1.019 389 K CA -0.493 55.759 56.287 -0.058 0.000 0.893 389 K CB 1.312 33.742 32.500 -0.116 0.000 1.025 389 K HN 0.417 nan 8.250 nan 0.000 0.500 390 L N -1.104 120.117 121.223 -0.003 0.000 2.250 390 L HA 0.502 4.842 4.340 0.001 0.000 0.252 390 L C 0.163 177.045 176.870 0.020 0.000 1.054 390 L CA -0.935 53.900 54.840 -0.009 0.000 0.856 390 L CB 2.449 44.507 42.059 -0.001 0.000 1.443 390 L HN 0.942 nan 8.230 nan 0.000 0.427 391 G N 0.000 108.822 108.800 0.037 0.000 5.446 391 G HA2 0.000 3.961 3.960 0.001 0.000 0.244 391 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 391 G CA 0.000 45.138 45.100 0.063 0.000 0.502 391 G HN 0.000 nan 8.290 nan 0.000 0.925