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 2qyg_1_B DATA FIRST_RESID 1 DATA SEQUENCE MTPDDIAGFY AKRADLDLDN YIELDFDFEC AGDPHEAAAH LCSEQSTAQW DATA SEQUENCE RRVGFDEDFR PRFAAKVLEL SAEPRPSGFS VPVECAARGP VHACRVTIAH DATA SEQUENCE PHGNFGAKIP NLLSAVCGEG VFFSPGIPLI RLQDIRFPEP YLAAFDGPRF DATA SEQUENCE GIAGVRERLQ AFDRPIFFGV IKPNIGLPPQ PFAELGYQSW TGGLDIAKDD DATA SEQUENCE EMLADVDWCP LAERAALLGD ACRRASAETG VPKIYLANIT DEVDRLTELH DATA SEQUENCE DVAVANGAGA LLINAMPVGL SAVRMLRKHA TVPLIAHFPF IAAFSRLANY DATA SEQUENCE GIHSRVMTRL QRLAGFDVVI MPGFGPRMMT PEHEVLDCIR ACLEPMGPIK DATA SEQUENCE PCLPVPGGSD SAATLENVYR KVGSADFGFV PGRGVFGHPM GPAAGATSIR DATA SEQUENCE QAWDAIAAGI PVPDHAASHP ELAAALRAF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.309 176.300 0.015 0.000 1.140 1 M CA 0.000 55.293 55.300 -0.012 0.000 0.988 1 M CB 0.000 32.230 32.600 -0.617 0.000 1.302 2 T N 1.425 116.033 114.554 0.090 0.000 2.720 2 T HA -0.010 4.096 4.350 -0.407 0.000 0.268 2 T C -1.187 173.565 174.700 0.086 0.000 1.037 2 T CA 1.576 63.737 62.100 0.101 0.000 1.144 2 T CB -1.374 67.555 68.868 0.102 0.000 0.864 2 T HN 0.445 nan 8.240 nan 0.000 0.444 3 P HA 0.255 nan 4.420 nan 0.000 0.337 3 P C -0.321 177.031 177.300 0.086 0.000 1.404 3 P CA 0.205 63.355 63.100 0.083 0.000 0.864 3 P CB 0.371 32.124 31.700 0.088 0.000 2.124 4 D N -0.743 119.708 120.400 0.085 0.000 2.525 4 D HA 0.044 4.440 4.640 -0.407 0.000 0.229 4 D C 0.485 176.841 176.300 0.094 0.000 1.202 4 D CA 0.048 54.090 54.000 0.070 0.000 0.828 4 D CB -0.398 40.423 40.800 0.036 0.000 1.008 4 D HN 0.148 nan 8.370 nan 0.000 0.493 5 D N 0.571 121.072 120.400 0.168 0.000 2.221 5 D HA -0.132 4.264 4.640 -0.407 0.000 0.204 5 D C 2.125 178.524 176.300 0.165 0.000 0.982 5 D CA 0.435 54.570 54.000 0.225 0.000 0.857 5 D CB 0.187 41.294 40.800 0.512 0.000 0.934 5 D HN 0.360 nan 8.370 nan 0.000 0.475 6 I N 1.296 121.973 120.570 0.178 0.000 2.264 6 I HA -0.304 3.622 4.170 -0.407 0.000 0.248 6 I C 2.507 178.780 176.117 0.261 0.000 1.111 6 I CA 1.041 62.483 61.300 0.237 0.000 1.382 6 I CB -0.269 37.826 38.000 0.159 0.000 1.060 6 I HN -0.045 nan 8.210 nan 0.000 0.418 7 A N 0.987 123.868 122.820 0.102 0.000 1.892 7 A HA -0.213 3.863 4.320 -0.407 0.000 0.218 7 A C 2.377 179.980 177.584 0.032 0.000 1.188 7 A CA 2.099 54.164 52.037 0.046 0.000 0.631 7 A CB -1.540 17.450 19.000 -0.016 0.000 0.822 7 A HN 0.482 nan 8.150 nan 0.000 0.447 8 G N -2.624 106.095 108.800 -0.134 0.000 2.708 8 G HA2 0.060 3.776 3.960 -0.407 0.000 0.210 8 G HA3 0.060 3.776 3.960 -0.407 0.000 0.210 8 G C 0.751 175.331 174.900 -0.534 0.000 1.141 8 G CA 0.539 45.410 45.100 -0.382 0.000 0.788 8 G HN 0.470 nan 8.290 nan 0.000 0.531 9 F N -1.042 118.854 119.950 -0.090 0.000 2.639 9 F HA 0.448 4.757 4.527 -0.365 0.000 0.302 9 F C -0.198 175.489 175.800 -0.188 0.000 1.097 9 F CA -0.795 57.113 58.000 -0.155 0.000 1.294 9 F CB 0.468 39.341 39.000 -0.211 0.000 1.027 9 F HN -0.079 nan 8.300 nan 0.000 0.550 10 Y N 0.326 120.640 120.300 0.024 0.000 2.524 10 Y HA 0.763 5.104 4.550 -0.347 0.000 0.344 10 Y C -0.028 175.845 175.900 -0.046 0.000 1.012 10 Y CA -1.639 56.467 58.100 0.009 0.000 1.068 10 Y CB 1.800 40.282 38.460 0.036 0.000 1.249 10 Y HN -0.130 nan 8.280 nan 0.000 0.468 11 A N 1.959 124.828 122.820 0.082 0.000 2.594 11 A HA 0.776 4.852 4.320 -0.407 0.000 0.295 11 A C -1.613 175.970 177.584 -0.003 0.000 1.071 11 A CA -1.185 50.850 52.037 -0.003 0.000 0.685 11 A CB 1.401 20.341 19.000 -0.100 0.000 1.285 11 A HN 0.624 nan 8.150 nan 0.000 0.405 12 K N 0.490 120.880 120.400 -0.016 0.000 2.174 12 K HA 0.496 4.572 4.320 -0.407 0.000 0.275 12 K C 1.090 177.661 176.600 -0.048 0.000 1.015 12 K CA -0.542 55.735 56.287 -0.018 0.000 0.933 12 K CB 1.031 33.525 32.500 -0.009 0.000 1.025 12 K HN 0.674 nan 8.250 nan 0.000 0.463 13 R N 1.928 122.402 120.500 -0.044 0.000 2.162 13 R HA -0.310 3.786 4.340 -0.407 0.000 0.245 13 R C 1.820 178.093 176.300 -0.044 0.000 1.129 13 R CA 2.453 58.522 56.100 -0.052 0.000 0.940 13 R CB -0.641 29.641 30.300 -0.029 0.000 0.875 13 R HN 0.859 nan 8.270 nan 0.000 0.437 14 A N 0.478 123.282 122.820 -0.027 0.000 1.997 14 A HA -0.240 3.836 4.320 -0.407 0.000 0.221 14 A C 1.505 179.075 177.584 -0.023 0.000 1.172 14 A CA 2.206 54.232 52.037 -0.019 0.000 0.645 14 A CB -0.528 18.464 19.000 -0.013 0.000 0.813 14 A HN 0.390 nan 8.150 nan 0.000 0.454 15 D N -0.908 119.470 120.400 -0.036 0.000 2.323 15 D HA 0.139 4.535 4.640 -0.407 0.000 0.209 15 D C 0.428 176.702 176.300 -0.042 0.000 0.973 15 D CA 0.410 54.388 54.000 -0.037 0.000 0.874 15 D CB 0.063 40.838 40.800 -0.042 0.000 0.930 15 D HN 0.404 nan 8.370 nan 0.000 0.521 16 L N 1.036 122.221 121.223 -0.065 0.000 2.325 16 L HA 0.231 4.327 4.340 -0.407 0.000 0.278 16 L C 0.337 177.215 176.870 0.013 0.000 1.023 16 L CA -0.930 53.875 54.840 -0.059 0.000 0.811 16 L CB 1.700 43.608 42.059 -0.251 0.000 1.249 16 L HN -0.288 nan 8.230 nan 0.000 0.431 17 D N 2.810 123.260 120.400 0.083 0.000 2.398 17 D HA 0.061 4.458 4.640 -0.407 0.000 0.250 17 D C 1.034 177.442 176.300 0.180 0.000 1.287 17 D CA 0.210 54.270 54.000 0.098 0.000 0.992 17 D CB 0.750 41.595 40.800 0.076 0.000 1.071 17 D HN 0.448 nan 8.370 nan 0.000 0.514 18 L N 2.463 123.762 121.223 0.126 0.000 2.447 18 L HA -0.149 3.948 4.340 -0.407 0.000 0.225 18 L C 1.366 178.367 176.870 0.218 0.000 1.148 18 L CA 0.601 55.538 54.840 0.161 0.000 0.808 18 L CB -0.019 42.084 42.059 0.075 0.000 0.928 18 L HN 0.285 nan 8.230 nan 0.000 0.448 19 D N -0.081 120.424 120.400 0.175 0.000 2.348 19 D HA -0.086 4.310 4.640 -0.407 0.000 0.216 19 D C 1.315 177.741 176.300 0.211 0.000 0.970 19 D CA 0.683 54.791 54.000 0.180 0.000 0.889 19 D CB 0.033 40.912 40.800 0.132 0.000 0.912 19 D HN 0.346 nan 8.370 nan 0.000 0.524 20 N N -0.479 118.255 118.700 0.057 0.000 2.230 20 N HA -0.001 4.495 4.740 -0.407 0.000 0.202 20 N C -0.603 174.468 175.510 -0.731 0.000 1.119 20 N CA 0.056 52.850 53.050 -0.426 0.000 0.851 20 N CB 0.529 38.687 38.487 -0.549 0.000 0.990 20 N HN 0.217 nan 8.380 nan 0.000 0.497 21 Y N -0.128 120.157 120.300 -0.024 0.000 2.512 21 Y HA 0.520 4.823 4.550 -0.411 0.000 0.348 21 Y C -0.046 175.920 175.900 0.110 0.000 0.990 21 Y CA -0.839 57.272 58.100 0.018 0.000 1.033 21 Y CB 1.912 40.368 38.460 -0.007 0.000 1.259 21 Y HN -0.244 nan 8.280 nan 0.000 0.461 22 I N 2.470 123.184 120.570 0.241 0.000 2.359 22 I HA 0.258 4.184 4.170 -0.407 0.000 0.294 22 I C -0.346 175.818 176.117 0.078 0.000 0.987 22 I CA -0.558 60.797 61.300 0.092 0.000 1.225 22 I CB 1.275 39.302 38.000 0.045 0.000 1.366 22 I HN 0.560 nan 8.210 nan 0.000 0.466 23 E N 6.560 126.740 120.200 -0.034 0.000 2.266 23 E HA 0.574 4.680 4.350 -0.407 0.000 0.277 23 E C -1.171 175.354 176.600 -0.126 0.000 1.018 23 E CA -0.541 55.831 56.400 -0.047 0.000 0.840 23 E CB 1.715 31.380 29.700 -0.059 0.000 1.082 23 E HN 0.379 nan 8.360 nan 0.000 0.395 24 L N 2.564 123.728 121.223 -0.098 0.000 2.408 24 L HA 0.405 4.501 4.340 -0.407 0.000 0.268 24 L C -0.855 175.854 176.870 -0.269 0.000 0.986 24 L CA -0.925 53.768 54.840 -0.245 0.000 0.820 24 L CB 1.996 43.933 42.059 -0.204 0.000 1.303 24 L HN 0.352 nan 8.230 nan 0.000 0.411 25 D N 3.059 123.217 120.400 -0.402 0.000 2.414 25 D HA 0.452 4.848 4.640 -0.407 0.000 0.232 25 D C -0.985 175.112 176.300 -0.339 0.000 1.070 25 D CA 0.020 53.872 54.000 -0.247 0.000 0.839 25 D CB 1.748 42.462 40.800 -0.142 0.000 1.079 25 D HN 0.103 nan 8.370 nan 0.000 0.521 26 F N 0.951 120.930 119.950 0.048 0.000 2.469 26 F HA 0.262 4.619 4.527 -0.284 0.000 0.332 26 F C 0.453 176.331 175.800 0.130 0.000 1.103 26 F CA -0.876 57.176 58.000 0.087 0.000 0.979 26 F CB 1.728 40.792 39.000 0.105 0.000 1.137 26 F HN -0.018 nan 8.300 nan 0.000 0.463 27 D N 3.327 123.914 120.400 0.310 0.000 2.217 27 D HA 0.531 4.927 4.640 -0.407 0.000 0.243 27 D C -0.796 175.679 176.300 0.292 0.000 1.054 27 D CA 0.015 54.130 54.000 0.191 0.000 0.838 27 D CB 1.454 42.321 40.800 0.112 0.000 1.162 27 D HN 0.310 nan 8.370 nan 0.000 0.472 28 F N -1.386 118.628 119.950 0.106 0.000 2.745 28 F HA 0.664 5.051 4.527 -0.232 0.000 0.316 28 F C -1.124 174.754 175.800 0.130 0.000 1.155 28 F CA -1.129 56.931 58.000 0.100 0.000 0.937 28 F CB 1.441 40.463 39.000 0.036 0.000 1.361 28 F HN 0.024 nan 8.300 nan 0.000 0.472 29 E N 1.094 121.553 120.200 0.433 0.000 2.248 29 E HA 0.612 4.718 4.350 -0.407 0.000 0.267 29 E C -1.432 175.545 176.600 0.629 0.000 0.877 29 E CA -0.949 55.694 56.400 0.404 0.000 0.759 29 E CB 2.283 32.262 29.700 0.466 0.000 1.182 29 E HN 0.949 nan 8.360 nan 0.000 0.418 30 C N 0.110 119.716 119.300 0.511 0.000 3.080 30 C HA 0.944 5.160 4.460 -0.407 0.000 0.307 30 C C -0.159 175.030 174.990 0.331 0.000 1.311 30 C CA -0.888 58.420 59.018 0.484 0.000 1.533 30 C CB 0.585 28.606 27.740 0.468 0.000 1.970 30 C HN 0.826 nan 8.230 nan 0.000 0.467 31 A N 1.479 124.488 122.820 0.314 0.000 2.312 31 A HA 0.915 4.991 4.320 -0.407 0.000 0.326 31 A C 0.828 178.523 177.584 0.186 0.000 1.172 31 A CA 0.800 52.957 52.037 0.199 0.000 0.821 31 A CB 0.041 19.172 19.000 0.218 0.000 1.166 31 A HN 3.133 nan 8.150 nan 0.000 0.493 32 G N 0.985 109.891 108.800 0.177 0.000 2.598 32 G HA2 -0.110 3.606 3.960 -0.407 0.000 0.244 32 G HA3 -0.110 3.606 3.960 -0.407 0.000 0.244 32 G C -0.189 174.810 174.900 0.165 0.000 1.302 32 G CA 0.175 45.373 45.100 0.164 0.000 0.903 32 G HN 1.193 nan 8.290 nan 0.000 0.575 33 D N 1.680 122.149 120.400 0.115 0.000 2.472 33 D HA 0.260 4.656 4.640 -0.407 0.000 0.248 33 D C 0.037 176.378 176.300 0.068 0.000 1.174 33 D CA -0.910 53.131 54.000 0.068 0.000 0.883 33 D CB 1.048 41.908 40.800 0.100 0.000 1.149 33 D HN 0.138 nan 8.370 nan 0.000 0.488 34 P HA -0.137 nan 4.420 nan 0.000 0.226 34 P C 1.015 178.350 177.300 0.059 0.000 1.153 34 P CA 0.973 64.077 63.100 0.007 0.000 0.777 34 P CB 0.258 31.843 31.700 -0.190 0.000 0.794 35 H N 0.427 119.544 119.070 0.078 0.000 2.343 35 H HA 0.015 4.340 4.556 -0.386 0.000 0.303 35 H C 1.995 177.438 175.328 0.193 0.000 1.068 35 H CA 1.061 57.202 56.048 0.155 0.000 1.359 35 H CB -0.005 29.782 29.762 0.043 0.000 1.402 35 H HN 0.250 nan 8.280 nan 0.000 0.515 36 E N 0.678 121.029 120.200 0.251 0.000 2.058 36 E HA -0.160 3.946 4.350 -0.407 0.000 0.194 36 E C 2.389 179.117 176.600 0.214 0.000 0.997 36 E CA 0.849 57.373 56.400 0.206 0.000 0.801 36 E CB -0.011 29.815 29.700 0.210 0.000 0.746 36 E HN 0.363 nan 8.360 nan 0.000 0.450 37 A N 1.552 124.484 122.820 0.187 0.000 1.883 37 A HA -0.167 3.909 4.320 -0.407 0.000 0.217 37 A C 2.421 179.987 177.584 -0.030 0.000 1.186 37 A CA 2.023 54.124 52.037 0.107 0.000 0.624 37 A CB -0.708 18.378 19.000 0.143 0.000 0.822 37 A HN 0.313 nan 8.150 nan 0.000 0.444 38 A N -0.198 122.628 122.820 0.010 0.000 1.877 38 A HA 0.127 4.203 4.320 -0.407 0.000 0.216 38 A C 2.546 180.006 177.584 -0.206 0.000 1.186 38 A CA 2.343 54.318 52.037 -0.103 0.000 0.620 38 A CB -1.158 17.841 19.000 -0.002 0.000 0.822 38 A HN 1.140 nan 8.150 nan 0.000 0.443 39 A N -0.843 121.899 122.820 -0.130 0.000 1.865 39 A HA -0.250 3.826 4.320 -0.407 0.000 0.217 39 A C 1.952 179.226 177.584 -0.517 0.000 1.191 39 A CA 2.068 53.925 52.037 -0.299 0.000 0.623 39 A CB -1.099 17.863 19.000 -0.063 0.000 0.826 39 A HN 0.717 nan 8.150 nan 0.000 0.444 40 H N -1.625 117.262 119.070 -0.305 0.000 2.422 40 H HA -0.112 4.183 4.556 -0.435 0.000 0.298 40 H C 1.868 177.009 175.328 -0.312 0.000 1.098 40 H CA 1.541 57.426 56.048 -0.273 0.000 1.315 40 H CB 0.008 29.679 29.762 -0.152 0.000 1.382 40 H HN 0.422 nan 8.280 nan 0.000 0.523 41 L N -0.481 120.606 121.223 -0.227 0.000 2.179 41 L HA -0.072 4.024 4.340 -0.407 0.000 0.208 41 L C 1.874 178.568 176.870 -0.293 0.000 1.096 41 L CA 1.179 55.829 54.840 -0.317 0.000 0.779 41 L CB -0.439 41.326 42.059 -0.489 0.000 0.922 41 L HN 0.324 nan 8.230 nan 0.000 0.443 42 C N -1.491 117.613 119.300 -0.326 0.000 2.466 42 C HA -0.062 4.154 4.460 -0.407 0.000 0.278 42 C C 3.062 177.909 174.990 -0.237 0.000 1.288 42 C CA 0.940 59.810 59.018 -0.246 0.000 1.722 42 C CB -0.832 26.782 27.740 -0.211 0.000 2.017 42 C HN 0.692 nan 8.230 nan 0.000 0.488 43 S N 0.703 116.090 115.700 -0.522 0.000 2.354 43 S HA -0.179 4.047 4.470 -0.407 0.000 0.219 43 S C 1.904 176.499 174.600 -0.007 0.000 1.035 43 S CA 1.672 59.673 58.200 -0.332 0.000 1.037 43 S CB -0.293 62.640 63.200 -0.445 0.000 0.956 43 S HN 0.552 nan 8.310 nan 0.000 0.428 44 E N 0.929 121.113 120.200 -0.025 0.000 2.130 44 E HA -0.195 3.911 4.350 -0.407 0.000 0.196 44 E C 2.032 178.667 176.600 0.059 0.000 0.998 44 E CA 1.070 57.492 56.400 0.037 0.000 0.806 44 E CB -0.543 29.164 29.700 0.012 0.000 0.738 44 E HN 0.711 nan 8.360 nan 0.000 0.459 45 Q N 0.138 119.958 119.800 0.033 0.000 2.435 45 Q HA -0.057 4.039 4.340 -0.407 0.000 0.207 45 Q C 1.099 177.226 176.000 0.212 0.000 0.956 45 Q CA 1.038 56.909 55.803 0.113 0.000 0.917 45 Q CB 0.336 29.120 28.738 0.077 0.000 0.997 45 Q HN 0.305 nan 8.270 nan 0.000 0.497 46 S N -2.211 113.576 115.700 0.146 0.000 3.962 46 S HA 0.049 4.275 4.470 -0.407 0.000 0.175 46 S C 1.619 176.349 174.600 0.216 0.000 1.091 46 S CA 0.315 58.617 58.200 0.171 0.000 1.174 46 S CB -0.295 62.927 63.200 0.037 0.000 1.845 46 S HN 0.314 nan 8.310 nan 0.000 0.835 47 T N 0.551 115.281 114.554 0.293 0.000 2.564 47 T HA 0.291 4.398 4.350 -0.407 0.000 0.259 47 T C 1.868 176.805 174.700 0.394 0.000 1.087 47 T CA 2.565 64.897 62.100 0.387 0.000 1.184 47 T CB -1.494 67.692 68.868 0.531 0.000 0.864 47 T HN 1.970 nan 8.240 nan 0.000 0.403 48 A N 0.300 123.427 122.820 0.511 0.000 4.152 48 A HA -0.233 3.843 4.320 -0.407 0.000 0.256 48 A C 0.769 178.551 177.584 0.330 0.000 0.844 48 A CA 1.765 54.041 52.037 0.399 0.000 1.324 48 A CB -2.005 17.120 19.000 0.208 0.000 1.032 48 A HN 0.926 nan 8.150 nan 0.000 0.773 49 Q N -1.967 118.041 119.800 0.347 0.000 2.371 49 Q HA 0.474 4.570 4.340 -0.407 0.000 0.244 49 Q C -0.183 175.951 176.000 0.224 0.000 0.882 49 Q CA 0.045 55.854 55.803 0.009 0.000 0.866 49 Q CB 0.644 29.374 28.738 -0.013 0.000 1.399 49 Q HN 0.928 nan 8.270 nan 0.000 0.432 50 W N 3.217 124.541 121.300 0.039 0.000 2.940 50 W HA 0.387 4.806 4.660 -0.402 0.000 0.297 50 W C 0.156 176.260 176.519 -0.691 0.000 1.149 50 W CA -0.450 56.779 57.345 -0.194 0.000 1.564 50 W CB 0.463 29.839 29.460 -0.140 0.000 1.010 50 W HN 0.191 nan 8.180 nan 0.000 0.578 51 R N 1.478 121.667 120.500 -0.518 0.000 2.705 51 R HA 0.675 4.772 4.340 -0.407 0.000 0.246 51 R C -0.390 175.775 176.300 -0.226 0.000 1.142 51 R CA -1.043 54.825 56.100 -0.388 0.000 1.114 51 R CB 0.675 30.840 30.300 -0.224 0.000 1.256 51 R HN -0.058 nan 8.270 nan 0.000 0.536 52 R N -0.536 119.882 120.500 -0.137 0.000 2.700 52 R HA 0.181 4.277 4.340 -0.407 0.000 0.253 52 R C 1.422 177.788 176.300 0.110 0.000 1.091 52 R CA -0.392 55.668 56.100 -0.067 0.000 1.104 52 R CB 0.835 30.941 30.300 -0.324 0.000 1.202 52 R HN 0.406 nan 8.270 nan 0.000 0.532 53 V N 0.691 120.681 119.914 0.126 0.000 2.311 53 V HA -0.315 3.561 4.120 -0.407 0.000 0.249 53 V C 0.812 176.979 176.094 0.122 0.000 1.042 53 V CA 2.708 65.081 62.300 0.122 0.000 1.105 53 V CB -0.416 31.489 31.823 0.136 0.000 0.783 53 V HN 0.958 nan 8.190 nan 0.000 0.486 54 G N -1.146 107.767 108.800 0.189 0.000 4.956 54 G HA2 0.528 4.244 3.960 -0.407 0.000 0.290 54 G HA3 0.528 4.244 3.960 -0.407 0.000 0.290 54 G C -0.965 173.893 174.900 -0.070 0.000 1.352 54 G CA -0.321 44.795 45.100 0.025 0.000 0.983 54 G HN 0.305 nan 8.290 nan 0.000 0.581 55 F N 0.855 120.780 119.950 -0.042 0.000 2.508 55 F HA 0.363 4.646 4.527 -0.406 0.000 0.325 55 F C -0.319 175.452 175.800 -0.048 0.000 1.090 55 F CA -1.677 56.303 58.000 -0.033 0.000 0.945 55 F CB 2.028 41.014 39.000 -0.024 0.000 1.156 55 F HN 0.198 nan 8.300 nan 0.000 0.463 56 D N 0.569 121.042 120.400 0.121 0.000 2.374 56 D HA 0.245 4.641 4.640 -0.407 0.000 0.240 56 D C 0.180 176.529 176.300 0.081 0.000 1.229 56 D CA -0.150 53.894 54.000 0.073 0.000 0.895 56 D CB 1.378 42.204 40.800 0.043 0.000 1.046 56 D HN 0.710 nan 8.370 nan 0.000 0.498 57 E N 0.946 121.158 120.200 0.020 0.000 2.905 57 E HA -0.009 4.097 4.350 -0.407 0.000 0.197 57 E C -0.537 176.004 176.600 -0.098 0.000 1.016 57 E CA -0.329 56.044 56.400 -0.044 0.000 1.307 57 E CB 0.429 30.009 29.700 -0.201 0.000 1.255 57 E HN 0.377 nan 8.360 nan 0.000 0.527 58 D N 0.659 120.964 120.400 -0.158 0.000 3.478 58 D HA -0.218 4.178 4.640 -0.407 0.000 0.219 58 D C -0.721 175.543 176.300 -0.061 0.000 1.143 58 D CA 0.518 54.480 54.000 -0.062 0.000 1.047 58 D CB -0.890 39.922 40.800 0.021 0.000 0.820 58 D HN 0.319 nan 8.370 nan 0.000 0.393 59 F N 1.206 121.285 119.950 0.215 0.000 2.898 59 F HA 0.415 4.695 4.527 -0.412 0.000 0.290 59 F C 1.847 177.780 175.800 0.221 0.000 1.195 59 F CA -1.018 57.126 58.000 0.240 0.000 1.387 59 F CB 0.010 39.215 39.000 0.341 0.000 0.976 59 F HN 0.036 nan 8.300 nan 0.000 0.510 60 R N 1.435 122.022 120.500 0.145 0.000 2.073 60 R HA 0.014 4.111 4.340 -0.407 0.000 0.229 60 R C -0.629 175.628 176.300 -0.073 0.000 1.120 60 R CA 1.233 57.271 56.100 -0.102 0.000 0.967 60 R CB -1.182 28.785 30.300 -0.555 0.000 0.862 60 R HN 0.231 nan 8.270 nan 0.000 0.436 61 P HA -0.153 nan 4.420 nan 0.000 0.218 61 P C 0.646 177.912 177.300 -0.057 0.000 1.149 61 P CA 1.290 64.356 63.100 -0.056 0.000 0.817 61 P CB 0.061 31.735 31.700 -0.043 0.000 0.785 62 R N -2.184 118.251 120.500 -0.107 0.000 2.206 62 R HA 0.169 4.265 4.340 -0.407 0.000 0.198 62 R C 1.059 177.006 176.300 -0.588 0.000 0.986 62 R CA 0.634 56.492 56.100 -0.404 0.000 1.029 62 R CB 0.120 30.053 30.300 -0.611 0.000 0.966 62 R HN 0.165 nan 8.270 nan 0.000 0.487 63 F N -0.590 119.363 119.950 0.005 0.000 2.784 63 F HA 0.435 4.714 4.527 -0.413 0.000 0.323 63 F C 0.409 176.214 175.800 0.009 0.000 1.085 63 F CA -0.544 57.454 58.000 -0.004 0.000 1.196 63 F CB 0.873 39.889 39.000 0.027 0.000 1.053 63 F HN -0.093 nan 8.300 nan 0.000 0.578 64 A N 1.268 124.178 122.820 0.150 0.000 2.301 64 A HA 0.756 4.832 4.320 -0.407 0.000 0.312 64 A C 0.241 177.854 177.584 0.049 0.000 1.182 64 A CA -0.398 51.699 52.037 0.099 0.000 0.826 64 A CB 0.181 19.174 19.000 -0.011 0.000 1.134 64 A HN 0.173 nan 8.150 nan 0.000 0.501 65 A N 2.733 125.525 122.820 -0.047 0.000 2.498 65 A HA 0.478 4.554 4.320 -0.407 0.000 0.239 65 A C 0.321 177.934 177.584 0.049 0.000 1.068 65 A CA 0.390 52.384 52.037 -0.071 0.000 0.766 65 A CB 0.003 18.865 19.000 -0.229 0.000 1.003 65 A HN 0.760 nan 8.150 nan 0.000 0.497 66 K N 1.275 121.671 120.400 -0.006 0.000 2.468 66 K HA 0.464 4.540 4.320 -0.407 0.000 0.252 66 K C -1.348 175.170 176.600 -0.137 0.000 0.932 66 K CA -0.822 55.423 56.287 -0.070 0.000 0.794 66 K CB 2.394 34.822 32.500 -0.121 0.000 1.241 66 K HN 0.407 nan 8.250 nan 0.000 0.428 67 V N 5.066 124.820 119.914 -0.266 0.000 2.446 67 V HA 0.012 3.888 4.120 -0.407 0.000 0.276 67 V C 1.336 177.349 176.094 -0.134 0.000 1.030 67 V CA 0.211 62.329 62.300 -0.303 0.000 1.033 67 V CB 0.225 31.593 31.823 -0.758 0.000 0.993 67 V HN 0.755 nan 8.190 nan 0.000 0.477 68 L N 2.956 124.138 121.223 -0.068 0.000 2.202 68 L HA 0.294 4.390 4.340 -0.407 0.000 0.205 68 L C 1.042 177.928 176.870 0.026 0.000 1.083 68 L CA 0.900 55.723 54.840 -0.029 0.000 0.790 68 L CB 0.237 42.268 42.059 -0.047 0.000 0.942 68 L HN 0.748 nan 8.230 nan 0.000 0.452 69 E N 0.362 120.581 120.200 0.031 0.000 2.347 69 E HA 0.373 4.479 4.350 -0.407 0.000 0.285 69 E C -1.968 174.664 176.600 0.052 0.000 0.925 69 E CA -0.518 55.912 56.400 0.051 0.000 0.779 69 E CB 2.363 32.080 29.700 0.028 0.000 1.233 69 E HN -0.080 nan 8.360 nan 0.000 0.414 70 L N 2.752 124.012 121.223 0.062 0.000 2.422 70 L HA 0.735 4.831 4.340 -0.407 0.000 0.264 70 L C -1.750 175.118 176.870 -0.003 0.000 0.984 70 L CA -0.218 54.638 54.840 0.028 0.000 0.819 70 L CB 2.288 44.355 42.059 0.014 0.000 1.330 70 L HN 0.409 nan 8.230 nan 0.000 0.410 71 S N 3.227 118.906 115.700 -0.035 0.000 2.614 71 S HA 0.945 5.171 4.470 -0.407 0.000 0.275 71 S C -1.525 173.028 174.600 -0.078 0.000 1.161 71 S CA 0.177 58.355 58.200 -0.037 0.000 0.969 71 S CB 1.267 64.453 63.200 -0.022 0.000 1.059 71 S HN 1.291 nan 8.310 nan 0.000 0.482 72 A N 4.181 126.968 122.820 -0.055 0.000 2.456 72 A HA 0.703 4.779 4.320 -0.407 0.000 0.288 72 A C -0.973 176.629 177.584 0.030 0.000 1.042 72 A CA -0.766 51.239 52.037 -0.055 0.000 0.738 72 A CB 1.145 20.081 19.000 -0.107 0.000 1.266 72 A HN 0.802 nan 8.150 nan 0.000 0.407 73 E N 3.291 123.519 120.200 0.048 0.000 2.238 73 E HA 0.678 4.784 4.350 -0.407 0.000 0.267 73 E C -2.919 173.727 176.600 0.076 0.000 0.887 73 E CA -2.178 54.261 56.400 0.066 0.000 0.769 73 E CB 2.548 32.257 29.700 0.014 0.000 1.187 73 E HN 0.362 nan 8.360 nan 0.000 0.416 74 P HA 0.136 nan 4.420 nan 0.000 0.274 74 P C -0.955 176.259 177.300 -0.143 0.000 1.231 74 P CA -0.464 62.543 63.100 -0.155 0.000 0.790 74 P CB 0.439 32.052 31.700 -0.146 0.000 0.951 75 R N 1.654 122.029 120.500 -0.210 0.000 2.625 75 R HA 0.378 4.474 4.340 -0.407 0.000 0.286 75 R C -2.243 173.953 176.300 -0.174 0.000 1.406 75 R CA -1.642 54.368 56.100 -0.151 0.000 1.052 75 R CB 0.833 31.063 30.300 -0.117 0.000 1.203 75 R HN 0.161 nan 8.270 nan 0.000 0.502 76 P HA -0.209 nan 4.420 nan 0.000 0.223 76 P C 1.138 178.376 177.300 -0.103 0.000 1.151 76 P CA 1.148 64.176 63.100 -0.120 0.000 0.787 76 P CB 0.412 32.062 31.700 -0.083 0.000 0.788 77 S N -0.734 114.913 115.700 -0.089 0.000 2.440 77 S HA 0.104 4.330 4.470 -0.407 0.000 0.238 77 S C 1.221 175.771 174.600 -0.082 0.000 1.010 77 S CA 1.275 59.435 58.200 -0.066 0.000 0.972 77 S CB -1.143 62.031 63.200 -0.044 0.000 0.774 77 S HN 0.496 nan 8.310 nan 0.000 0.501 78 G N -0.175 108.532 108.800 -0.155 0.000 2.548 78 G HA2 -0.087 3.629 3.960 -0.407 0.000 0.208 78 G HA3 -0.087 3.629 3.960 -0.407 0.000 0.208 78 G C -0.460 174.300 174.900 -0.232 0.000 1.308 78 G CA -0.496 44.460 45.100 -0.239 0.000 0.924 78 G HN 0.414 nan 8.290 nan 0.000 0.540 79 F N 1.187 121.142 119.950 0.007 0.000 2.496 79 F HA 0.387 4.663 4.527 -0.418 0.000 0.344 79 F C 2.204 178.012 175.800 0.012 0.000 1.155 79 F CA 0.519 58.529 58.000 0.018 0.000 1.302 79 F CB 1.031 40.045 39.000 0.024 0.000 1.159 79 F HN 0.467 nan 8.300 nan 0.000 0.595 80 S N 0.482 116.316 115.700 0.224 0.000 2.354 80 S HA -0.106 4.120 4.470 -0.407 0.000 0.219 80 S C 0.590 175.248 174.600 0.097 0.000 1.035 80 S CA 0.854 59.129 58.200 0.123 0.000 1.037 80 S CB -0.329 62.939 63.200 0.113 0.000 0.956 80 S HN 0.302 nan 8.310 nan 0.000 0.428 81 V N 3.847 123.815 119.914 0.089 0.000 2.716 81 V HA 0.335 4.211 4.120 -0.407 0.000 0.304 81 V C -2.269 173.855 176.094 0.050 0.000 1.053 81 V CA -2.283 60.042 62.300 0.042 0.000 0.984 81 V CB 0.610 32.431 31.823 -0.004 0.000 1.021 81 V HN 0.236 nan 8.190 nan 0.000 0.467 82 P HA 0.278 nan 4.420 nan 0.000 0.271 82 P C -0.598 176.683 177.300 -0.030 0.000 1.216 82 P CA 0.300 63.416 63.100 0.026 0.000 0.771 82 P CB 1.254 32.964 31.700 0.016 0.000 0.864 83 V N 2.330 122.213 119.914 -0.052 0.000 5.071 83 V HA 0.535 4.411 4.120 -0.407 0.000 0.300 83 V C -0.266 175.777 176.094 -0.085 0.000 1.520 83 V CA -0.721 61.504 62.300 -0.125 0.000 0.822 83 V CB 0.948 32.616 31.823 -0.259 0.000 1.318 83 V HN 0.674 nan 8.190 nan 0.000 0.446 84 E N -0.734 119.394 120.200 -0.119 0.000 2.347 84 E HA 0.646 4.752 4.350 -0.407 0.000 0.285 84 E C -1.596 174.961 176.600 -0.072 0.000 0.925 84 E CA -0.482 55.885 56.400 -0.055 0.000 0.779 84 E CB 1.703 31.384 29.700 -0.031 0.000 1.233 84 E HN 0.577 nan 8.360 nan 0.000 0.414 85 C N 1.652 120.946 119.300 -0.010 0.000 2.802 85 C HA 0.770 4.986 4.460 -0.407 0.000 0.307 85 C C 0.989 176.003 174.990 0.040 0.000 1.222 85 C CA 0.001 59.021 59.018 0.004 0.000 1.580 85 C CB 1.227 28.998 27.740 0.052 0.000 2.119 85 C HN 1.012 nan 8.230 nan 0.000 0.479 86 A N 2.090 124.929 122.820 0.032 0.000 2.261 86 A HA 0.587 4.663 4.320 -0.407 0.000 0.208 86 A C 0.645 178.258 177.584 0.048 0.000 1.223 86 A CA 1.018 53.075 52.037 0.033 0.000 0.833 86 A CB -0.444 18.565 19.000 0.016 0.000 0.830 86 A HN 1.534 nan 8.150 nan 0.000 0.483 87 A N -1.013 121.855 122.820 0.081 0.000 2.594 87 A HA 0.803 4.879 4.320 -0.407 0.000 0.291 87 A C -0.088 177.559 177.584 0.105 0.000 1.105 87 A CA -0.778 51.313 52.037 0.090 0.000 0.694 87 A CB 1.091 20.151 19.000 0.099 0.000 1.291 87 A HN 0.323 nan 8.150 nan 0.000 0.410 88 R N -0.781 119.767 120.500 0.081 0.000 3.307 88 R HA 0.784 4.880 4.340 -0.407 0.000 0.227 88 R C 0.756 177.087 176.300 0.051 0.000 1.645 88 R CA 0.078 56.217 56.100 0.065 0.000 1.015 88 R CB 0.922 31.251 30.300 0.048 0.000 1.832 88 R HN 2.103 nan 8.270 nan 0.000 0.533 89 G N 0.875 109.692 108.800 0.028 0.000 2.562 89 G HA2 -0.208 3.508 3.960 -0.407 0.000 0.250 89 G HA3 -0.208 3.508 3.960 -0.407 0.000 0.250 89 G C -2.263 172.625 174.900 -0.019 0.000 1.269 89 G CA -0.539 44.572 45.100 0.018 0.000 0.919 89 G HN 0.504 nan 8.290 nan 0.000 0.574 90 P HA 0.545 nan 4.420 nan 0.000 0.272 90 P C -0.516 176.684 177.300 -0.166 0.000 1.230 90 P CA -0.260 62.767 63.100 -0.121 0.000 0.788 90 P CB 1.217 32.849 31.700 -0.113 0.000 0.949 91 V N 2.192 121.909 119.914 -0.329 0.000 2.448 91 V HA 0.301 4.177 4.120 -0.407 0.000 0.295 91 V C -0.228 175.629 176.094 -0.395 0.000 1.025 91 V CA -0.494 61.590 62.300 -0.360 0.000 0.859 91 V CB 1.045 32.500 31.823 -0.614 0.000 0.988 91 V HN 0.609 nan 8.190 nan 0.000 0.431 92 H N 1.752 120.763 119.070 -0.098 0.000 2.670 92 H HA 0.827 5.141 4.556 -0.403 0.000 0.361 92 H C 0.036 175.310 175.328 -0.090 0.000 1.169 92 H CA -0.226 55.777 56.048 -0.074 0.000 1.198 92 H CB 1.794 31.532 29.762 -0.040 0.000 1.700 92 H HN 0.853 nan 8.280 nan 0.000 0.542 93 A N 1.545 124.369 122.820 0.007 0.000 2.288 93 A HA 0.596 4.672 4.320 -0.407 0.000 0.320 93 A C -0.748 176.722 177.584 -0.189 0.000 1.217 93 A CA -0.430 51.558 52.037 -0.081 0.000 0.840 93 A CB 0.031 19.004 19.000 -0.045 0.000 1.179 93 A HN 0.744 nan 8.150 nan 0.000 0.504 94 C N 1.134 120.170 119.300 -0.441 0.000 2.779 94 C HA 0.814 5.030 4.460 -0.407 0.000 0.314 94 C C 0.203 174.931 174.990 -0.437 0.000 1.231 94 C CA -0.840 57.828 59.018 -0.583 0.000 1.652 94 C CB 1.683 28.702 27.740 -1.201 0.000 2.198 94 C HN 0.936 nan 8.230 nan 0.000 0.483 95 R N 0.898 121.263 120.500 -0.225 0.000 2.502 95 R HA 0.755 4.851 4.340 -0.407 0.000 0.300 95 R C -1.729 174.585 176.300 0.023 0.000 0.984 95 R CA -0.237 55.827 56.100 -0.060 0.000 0.882 95 R CB 1.996 32.278 30.300 -0.029 0.000 1.180 95 R HN 0.621 nan 8.270 nan 0.000 0.444 96 V N 1.399 121.396 119.914 0.138 0.000 2.789 96 V HA 0.487 4.363 4.120 -0.407 0.000 0.311 96 V C -0.261 175.918 176.094 0.142 0.000 1.073 96 V CA -0.908 61.493 62.300 0.167 0.000 0.921 96 V CB 2.302 34.300 31.823 0.293 0.000 1.009 96 V HN 0.702 nan 8.190 nan 0.000 0.426 97 T N 5.198 119.798 114.554 0.078 0.000 2.756 97 T HA 0.696 4.802 4.350 -0.407 0.000 0.290 97 T C -0.363 174.365 174.700 0.046 0.000 0.985 97 T CA -0.041 62.086 62.100 0.044 0.000 0.955 97 T CB 0.760 69.631 68.868 0.005 0.000 0.930 97 T HN 0.425 nan 8.240 nan 0.000 0.451 98 I N 2.487 123.109 120.570 0.087 0.000 2.441 98 I HA 0.593 4.519 4.170 -0.407 0.000 0.295 98 I C 0.188 176.353 176.117 0.080 0.000 0.994 98 I CA -1.041 60.309 61.300 0.084 0.000 1.144 98 I CB 1.587 39.695 38.000 0.180 0.000 1.314 98 I HN 0.647 nan 8.210 nan 0.000 0.445 99 A N 5.371 128.210 122.820 0.032 0.000 2.253 99 A HA 0.380 4.456 4.320 -0.407 0.000 0.316 99 A C -0.822 176.936 177.584 0.289 0.000 1.327 99 A CA -0.217 51.863 52.037 0.072 0.000 0.917 99 A CB -0.206 18.668 19.000 -0.210 0.000 1.162 99 A HN 0.821 nan 8.150 nan 0.000 0.535 100 H N 4.595 123.842 119.070 0.295 0.000 2.556 100 H HA 0.412 4.720 4.556 -0.414 0.000 0.310 100 H C -2.398 173.025 175.328 0.157 0.000 1.057 100 H CA -2.075 54.141 56.048 0.280 0.000 1.264 100 H CB 1.399 31.317 29.762 0.260 0.000 1.404 100 H HN 0.410 nan 8.280 nan 0.000 0.462 101 P HA -0.020 nan 4.420 nan 0.000 0.269 101 P C -0.193 176.880 177.300 -0.378 0.000 1.252 101 P CA 0.014 62.817 63.100 -0.496 0.000 0.780 101 P CB 0.281 31.660 31.700 -0.535 0.000 0.829 102 H N 2.302 121.088 119.070 -0.473 0.000 2.524 102 H HA 0.029 4.340 4.556 -0.408 0.000 0.282 102 H C 2.005 176.899 175.328 -0.723 0.000 1.016 102 H CA 1.130 56.665 56.048 -0.854 0.000 1.270 102 H CB -1.170 28.177 29.762 -0.692 0.000 1.394 102 H HN 0.413 nan 8.280 nan 0.000 0.568 103 G N 0.722 109.205 108.800 -0.527 0.000 2.499 103 G HA2 -0.340 3.376 3.960 -0.407 0.000 0.221 103 G HA3 -0.340 3.376 3.960 -0.407 0.000 0.221 103 G C 1.383 176.183 174.900 -0.168 0.000 1.109 103 G CA 0.813 45.756 45.100 -0.261 0.000 0.749 103 G HN 0.625 nan 8.290 nan 0.000 0.568 104 N N -0.359 118.191 118.700 -0.250 0.000 2.223 104 N HA -0.077 4.419 4.740 -0.407 0.000 0.185 104 N C 1.563 177.103 175.510 0.051 0.000 1.016 104 N CA 1.522 54.555 53.050 -0.027 0.000 0.863 104 N CB -0.147 38.423 38.487 0.139 0.000 0.983 104 N HN 0.618 nan 8.380 nan 0.000 0.429 105 F N -2.077 117.972 119.950 0.164 0.000 2.834 105 F HA 0.500 4.778 4.527 -0.416 0.000 0.332 105 F C 1.046 176.945 175.800 0.164 0.000 1.056 105 F CA -0.191 57.897 58.000 0.146 0.000 1.178 105 F CB -0.177 38.902 39.000 0.131 0.000 1.037 105 F HN -0.095 nan 8.300 nan 0.000 0.580 106 G N 1.429 110.347 108.800 0.197 0.000 2.750 106 G HA2 0.056 3.772 3.960 -0.407 0.000 0.228 106 G HA3 0.056 3.772 3.960 -0.407 0.000 0.228 106 G C 0.124 175.287 174.900 0.438 0.000 1.367 106 G CA -0.296 44.961 45.100 0.261 0.000 0.871 106 G HN 1.127 nan 8.290 nan 0.000 0.560 107 A N 0.214 123.103 122.820 0.115 0.000 3.202 107 A HA 0.605 4.681 4.320 -0.407 0.000 0.258 107 A C 0.575 178.069 177.584 -0.150 0.000 1.572 107 A CA 0.674 52.586 52.037 -0.208 0.000 1.241 107 A CB -0.378 18.138 19.000 -0.806 0.000 1.127 107 A HN 0.620 nan 8.150 nan 0.000 0.648 108 K N -0.056 120.448 120.400 0.174 0.000 2.426 108 K HA 0.510 4.586 4.320 -0.407 0.000 0.254 108 K C 0.243 176.967 176.600 0.207 0.000 0.936 108 K CA -0.623 55.749 56.287 0.142 0.000 0.801 108 K CB 1.854 34.417 32.500 0.104 0.000 1.139 108 K HN 0.176 nan 8.250 nan 0.000 0.424 109 I N 3.643 124.328 120.570 0.191 0.000 2.127 109 I HA -0.200 3.726 4.170 -0.407 0.000 0.241 109 I C -1.012 175.134 176.117 0.048 0.000 1.075 109 I CA 1.425 62.802 61.300 0.129 0.000 1.334 109 I CB -0.512 37.549 38.000 0.102 0.000 1.040 109 I HN 0.641 nan 8.210 nan 0.000 0.405 110 P HA -0.140 nan 4.420 nan 0.000 0.215 110 P C 0.995 178.284 177.300 -0.018 0.000 1.157 110 P CA 1.684 64.790 63.100 0.010 0.000 0.874 110 P CB -0.193 31.518 31.700 0.018 0.000 0.790 111 N N -0.998 117.702 118.700 -0.000 0.000 2.188 111 N HA -0.119 4.377 4.740 -0.407 0.000 0.184 111 N C 1.538 176.869 175.510 -0.298 0.000 1.018 111 N CA 0.513 53.545 53.050 -0.030 0.000 0.858 111 N CB -0.939 37.619 38.487 0.119 0.000 0.989 111 N HN 0.039 nan 8.380 nan 0.000 0.426 112 L N 0.997 121.988 121.223 -0.386 0.000 1.970 112 L HA -0.095 4.001 4.340 -0.407 0.000 0.212 112 L C 1.721 178.311 176.870 -0.466 0.000 1.071 112 L CA 1.547 55.928 54.840 -0.766 0.000 0.751 112 L CB -0.840 41.076 42.059 -0.239 0.000 0.889 112 L HN 0.177 nan 8.230 nan 0.000 0.432 113 L N -0.238 120.866 121.223 -0.198 0.000 1.978 113 L HA -0.276 3.820 4.340 -0.407 0.000 0.218 113 L C 2.401 179.216 176.870 -0.091 0.000 1.075 113 L CA 1.954 56.729 54.840 -0.107 0.000 0.767 113 L CB -0.935 41.093 42.059 -0.051 0.000 0.890 113 L HN 0.524 nan 8.230 nan 0.000 0.434 114 S N -0.893 114.758 115.700 -0.082 0.000 2.653 114 S HA 0.103 4.329 4.470 -0.407 0.000 0.233 114 S C 1.382 175.972 174.600 -0.016 0.000 0.970 114 S CA 0.507 58.694 58.200 -0.021 0.000 0.947 114 S CB -0.076 63.125 63.200 0.000 0.000 0.771 114 S HN 0.427 nan 8.310 nan 0.000 0.538 115 A N 1.819 124.574 122.820 -0.108 0.000 2.010 115 A HA 0.347 4.423 4.320 -0.407 0.000 0.210 115 A C 2.031 179.609 177.584 -0.009 0.000 1.479 115 A CA 0.578 52.587 52.037 -0.047 0.000 0.748 115 A CB -0.802 18.087 19.000 -0.185 0.000 1.125 115 A HN 0.863 nan 8.150 nan 0.000 0.522 116 V N -2.200 117.645 119.914 -0.115 0.000 3.444 116 V HA 0.027 3.903 4.120 -0.407 0.000 0.271 116 V C 0.819 176.972 176.094 0.098 0.000 1.188 116 V CA 0.657 62.971 62.300 0.024 0.000 1.168 116 V CB -1.650 30.148 31.823 -0.041 0.000 0.810 116 V HN 1.057 nan 8.190 nan 0.000 0.500 117 C N -1.514 117.824 119.300 0.063 0.000 3.117 117 C HA 0.782 4.998 4.460 -0.407 0.000 0.278 117 C C 0.781 175.910 174.990 0.232 0.000 2.067 117 C CA -0.509 58.583 59.018 0.124 0.000 1.202 117 C CB -1.278 26.588 27.740 0.210 0.000 2.170 117 C HN 0.574 nan 8.230 nan 0.000 0.600 118 G N 1.051 109.951 108.800 0.168 0.000 2.782 118 G HA2 0.539 4.255 3.960 -0.407 0.000 0.201 118 G HA3 0.539 4.255 3.960 -0.407 0.000 0.201 118 G C 0.574 175.646 174.900 0.286 0.000 1.374 118 G CA -0.130 45.093 45.100 0.204 0.000 1.039 118 G HN 0.308 nan 8.290 nan 0.000 0.576 119 E N -0.114 120.237 120.200 0.252 0.000 2.113 119 E HA -0.167 3.939 4.350 -0.407 0.000 0.210 119 E C 2.546 179.302 176.600 0.259 0.000 1.040 119 E CA 1.985 58.569 56.400 0.307 0.000 0.847 119 E CB -0.847 28.923 29.700 0.117 0.000 0.755 119 E HN 0.481 nan 8.360 nan 0.000 0.459 120 G N 0.195 109.072 108.800 0.129 0.000 2.574 120 G HA2 -0.336 3.380 3.960 -0.407 0.000 0.220 120 G HA3 -0.336 3.380 3.960 -0.407 0.000 0.220 120 G C 1.755 176.607 174.900 -0.080 0.000 1.173 120 G CA 1.545 46.669 45.100 0.039 0.000 0.772 120 G HN 0.246 nan 8.290 nan 0.000 0.585 121 V N -0.192 119.619 119.914 -0.171 0.000 2.283 121 V HA 0.001 3.878 4.120 -0.407 0.000 0.243 121 V C 2.446 178.216 176.094 -0.539 0.000 1.039 121 V CA 1.651 63.650 62.300 -0.502 0.000 1.016 121 V CB -0.569 30.849 31.823 -0.676 0.000 0.650 121 V HN 0.364 nan 8.190 nan 0.000 0.449 122 F N -1.593 118.272 119.950 -0.141 0.000 2.615 122 F HA 0.177 4.487 4.527 -0.363 0.000 0.297 122 F C 1.408 176.854 175.800 -0.591 0.000 1.124 122 F CA 0.769 58.559 58.000 -0.351 0.000 1.451 122 F CB 0.060 38.811 39.000 -0.414 0.000 1.103 122 F HN 0.108 nan 8.300 nan 0.000 0.569 123 F N -1.263 118.734 119.950 0.078 0.000 2.764 123 F HA 0.246 4.528 4.527 -0.408 0.000 0.310 123 F C 0.970 176.750 175.800 -0.034 0.000 1.124 123 F CA -0.476 57.545 58.000 0.035 0.000 1.252 123 F CB -0.202 38.827 39.000 0.049 0.000 1.010 123 F HN -0.365 nan 8.300 nan 0.000 0.518 124 S N 2.331 118.035 115.700 0.007 0.000 2.563 124 S HA 0.154 4.380 4.470 -0.407 0.000 0.284 124 S C -2.296 172.245 174.600 -0.099 0.000 1.331 124 S CA -0.944 57.208 58.200 -0.080 0.000 1.047 124 S CB 0.388 63.463 63.200 -0.209 0.000 0.859 124 S HN -0.087 nan 8.310 nan 0.000 0.514 125 P HA 0.288 nan 4.420 nan 0.000 0.282 125 P C 0.580 177.780 177.300 -0.168 0.000 1.262 125 P CA 0.280 63.269 63.100 -0.185 0.000 0.773 125 P CB 0.455 31.950 31.700 -0.341 0.000 0.879 126 G N 2.938 111.697 108.800 -0.069 0.000 2.155 126 G HA2 -0.254 3.462 3.960 -0.407 0.000 0.257 126 G HA3 -0.254 3.462 3.960 -0.407 0.000 0.257 126 G C 0.042 174.976 174.900 0.057 0.000 0.983 126 G CA -0.066 45.040 45.100 0.010 0.000 0.676 126 G HN 0.549 nan 8.290 nan 0.000 0.528 127 I N 0.495 121.051 120.570 -0.022 0.000 2.621 127 I HA 0.244 4.170 4.170 -0.407 0.000 0.276 127 I C -1.360 174.733 176.117 -0.041 0.000 1.118 127 I CA -2.198 59.102 61.300 -0.001 0.000 1.159 127 I CB 1.680 39.570 38.000 -0.184 0.000 1.357 127 I HN -0.133 nan 8.210 nan 0.000 0.513 128 P HA 0.008 nan 4.420 nan 0.000 0.217 128 P C 0.133 177.425 177.300 -0.013 0.000 1.154 128 P CA 1.089 64.077 63.100 -0.186 0.000 0.841 128 P CB 0.358 31.731 31.700 -0.546 0.000 0.788 129 L N 0.099 121.368 121.223 0.077 0.000 2.313 129 L HA 0.594 4.690 4.340 -0.407 0.000 0.283 129 L C -0.177 176.885 176.870 0.320 0.000 1.013 129 L CA -0.695 54.331 54.840 0.310 0.000 0.816 129 L CB 1.948 44.155 42.059 0.247 0.000 1.236 129 L HN -0.120 nan 8.230 nan 0.000 0.419 130 I N 2.968 123.713 120.570 0.293 0.000 2.775 130 I HA 0.475 4.402 4.170 -0.407 0.000 0.295 130 I C -1.439 174.704 176.117 0.043 0.000 1.287 130 I CA -0.437 60.941 61.300 0.131 0.000 1.029 130 I CB 2.461 40.399 38.000 -0.103 0.000 1.282 130 I HN 0.699 nan 8.210 nan 0.000 0.426 131 R N 6.350 126.951 120.500 0.168 0.000 2.538 131 R HA 0.480 4.576 4.340 -0.407 0.000 0.292 131 R C -1.965 174.458 176.300 0.206 0.000 1.008 131 R CA -0.778 55.410 56.100 0.146 0.000 0.896 131 R CB 1.719 32.099 30.300 0.134 0.000 1.187 131 R HN 0.604 nan 8.270 nan 0.000 0.440 132 L N 4.499 125.799 121.223 0.128 0.000 2.369 132 L HA 0.186 4.282 4.340 -0.407 0.000 0.279 132 L C 0.414 177.235 176.870 -0.082 0.000 1.108 132 L CA 0.664 55.411 54.840 -0.154 0.000 0.852 132 L CB 1.291 43.256 42.059 -0.157 0.000 1.169 132 L HN 0.750 nan 8.230 nan 0.000 0.452 133 Q N 2.339 122.050 119.800 -0.148 0.000 2.349 133 Q HA 0.242 4.338 4.340 -0.407 0.000 0.209 133 Q C -0.249 175.666 176.000 -0.141 0.000 0.920 133 Q CA 0.446 56.233 55.803 -0.027 0.000 0.901 133 Q CB 0.775 29.522 28.738 0.016 0.000 1.021 133 Q HN 0.713 nan 8.270 nan 0.000 0.519 134 D N -0.729 119.535 120.400 -0.226 0.000 2.648 134 D HA 0.381 4.777 4.640 -0.407 0.000 0.244 134 D C -1.543 174.587 176.300 -0.284 0.000 1.244 134 D CA -0.556 53.304 54.000 -0.233 0.000 0.772 134 D CB 1.591 42.274 40.800 -0.195 0.000 1.379 134 D HN -0.142 nan 8.370 nan 0.000 0.428 135 I N 0.154 120.546 120.570 -0.296 0.000 2.646 135 I HA 0.617 4.543 4.170 -0.407 0.000 0.299 135 I C -0.068 175.736 176.117 -0.522 0.000 1.036 135 I CA -0.659 60.372 61.300 -0.448 0.000 1.074 135 I CB 1.897 39.543 38.000 -0.590 0.000 1.258 135 I HN 0.098 nan 8.210 nan 0.000 0.430 136 R N 3.427 123.589 120.500 -0.563 0.000 2.621 136 R HA 0.713 4.809 4.340 -0.407 0.000 0.292 136 R C -1.672 174.328 176.300 -0.500 0.000 0.969 136 R CA -0.571 55.275 56.100 -0.422 0.000 0.887 136 R CB 1.933 32.129 30.300 -0.173 0.000 1.180 136 R HN 0.431 nan 8.270 nan 0.000 0.450 137 F N 2.247 122.225 119.950 0.047 0.000 2.480 137 F HA 0.501 4.788 4.527 -0.399 0.000 0.329 137 F C -1.795 174.069 175.800 0.106 0.000 1.091 137 F CA -2.589 55.464 58.000 0.087 0.000 0.972 137 F CB 1.132 40.234 39.000 0.170 0.000 1.150 137 F HN 0.265 nan 8.300 nan 0.000 0.467 138 P HA 0.195 nan 4.420 nan 0.000 0.276 138 P C 0.363 177.801 177.300 0.231 0.000 1.244 138 P CA -0.388 62.850 63.100 0.231 0.000 0.801 138 P CB 0.918 32.755 31.700 0.229 0.000 1.006 139 E N 2.178 122.476 120.200 0.163 0.000 2.048 139 E HA -0.186 3.920 4.350 -0.407 0.000 0.202 139 E C -0.734 175.937 176.600 0.119 0.000 1.021 139 E CA 2.090 58.564 56.400 0.125 0.000 0.825 139 E CB -2.522 27.231 29.700 0.088 0.000 0.756 139 E HN 0.479 nan 8.360 nan 0.000 0.454 140 P HA -0.232 nan 4.420 nan 0.000 0.217 140 P C 1.714 179.069 177.300 0.091 0.000 1.158 140 P CA 1.633 64.794 63.100 0.103 0.000 0.887 140 P CB -0.406 31.380 31.700 0.143 0.000 0.792 141 Y N 0.186 120.460 120.300 -0.043 0.000 2.163 141 Y HA -0.112 4.199 4.550 -0.399 0.000 0.288 141 Y C 2.563 178.506 175.900 0.070 0.000 1.136 141 Y CA 1.235 59.266 58.100 -0.114 0.000 1.147 141 Y CB -0.805 37.503 38.460 -0.253 0.000 0.987 141 Y HN -0.257 nan 8.280 nan 0.000 0.509 142 L N -0.353 120.971 121.223 0.170 0.000 2.083 142 L HA -0.241 3.855 4.340 -0.407 0.000 0.209 142 L C 2.665 179.585 176.870 0.083 0.000 1.083 142 L CA 1.042 55.945 54.840 0.105 0.000 0.752 142 L CB -0.836 41.281 42.059 0.096 0.000 0.899 142 L HN 0.326 nan 8.230 nan 0.000 0.433 143 A N -0.137 122.698 122.820 0.026 0.000 2.131 143 A HA -0.126 3.950 4.320 -0.407 0.000 0.220 143 A C 2.400 179.931 177.584 -0.089 0.000 1.158 143 A CA 1.547 53.575 52.037 -0.016 0.000 0.665 143 A CB -0.493 18.500 19.000 -0.011 0.000 0.795 143 A HN 0.432 nan 8.150 nan 0.000 0.460 144 A N -1.212 121.490 122.820 -0.197 0.000 2.072 144 A HA 0.413 4.489 4.320 -0.407 0.000 0.216 144 A C 0.648 177.919 177.584 -0.523 0.000 1.156 144 A CA 0.188 51.973 52.037 -0.421 0.000 0.701 144 A CB -0.227 18.366 19.000 -0.678 0.000 0.816 144 A HN 0.361 nan 8.150 nan 0.000 0.458 145 F N -0.343 119.460 119.950 -0.246 0.000 2.410 145 F HA 0.448 4.731 4.527 -0.407 0.000 0.324 145 F C 0.787 176.498 175.800 -0.148 0.000 1.093 145 F CA -0.712 57.168 58.000 -0.201 0.000 1.028 145 F CB 0.744 39.604 39.000 -0.233 0.000 1.309 145 F HN 0.034 nan 8.300 nan 0.000 0.499 146 D N -0.909 119.536 120.400 0.074 0.000 2.423 146 D HA 0.296 4.692 4.640 -0.407 0.000 0.212 146 D C 1.138 177.437 176.300 -0.002 0.000 1.060 146 D CA 0.740 54.741 54.000 0.002 0.000 0.872 146 D CB 0.190 40.967 40.800 -0.039 0.000 1.012 146 D HN 0.762 nan 8.370 nan 0.000 0.503 147 G N 1.201 110.007 108.800 0.010 0.000 2.601 147 G HA2 -0.237 3.479 3.960 -0.407 0.000 0.261 147 G HA3 -0.237 3.479 3.960 -0.407 0.000 0.261 147 G C -2.448 172.442 174.900 -0.017 0.000 1.289 147 G CA -0.801 44.290 45.100 -0.014 0.000 0.920 147 G HN 0.121 nan 8.290 nan 0.000 0.571 148 P HA 0.387 nan 4.420 nan 0.000 0.271 148 P C 0.641 177.923 177.300 -0.029 0.000 1.216 148 P CA -0.130 62.985 63.100 0.025 0.000 0.776 148 P CB 1.089 32.838 31.700 0.081 0.000 0.881 149 R N 2.528 122.980 120.500 -0.080 0.000 2.073 149 R HA -0.013 4.083 4.340 -0.407 0.000 0.229 149 R C 1.108 177.162 176.300 -0.410 0.000 1.120 149 R CA 1.986 57.902 56.100 -0.307 0.000 0.967 149 R CB -0.672 29.321 30.300 -0.511 0.000 0.862 149 R HN 0.391 nan 8.270 nan 0.000 0.436 150 F N -0.665 119.297 119.950 0.020 0.000 2.390 150 F HA 0.433 4.716 4.527 -0.407 0.000 0.281 150 F C 1.533 177.353 175.800 0.033 0.000 1.016 150 F CA 0.714 58.730 58.000 0.026 0.000 1.286 150 F CB -0.553 38.464 39.000 0.028 0.000 1.134 150 F HN 0.327 nan 8.300 nan 0.000 0.597 151 G N 1.022 109.970 108.800 0.246 0.000 2.782 151 G HA2 -0.252 3.464 3.960 -0.407 0.000 0.228 151 G HA3 -0.252 3.464 3.960 -0.407 0.000 0.228 151 G C 0.600 175.584 174.900 0.140 0.000 1.372 151 G CA -0.186 45.007 45.100 0.155 0.000 0.862 151 G HN 0.255 nan 8.290 nan 0.000 0.547 152 I N 0.725 121.357 120.570 0.102 0.000 2.127 152 I HA -0.158 3.768 4.170 -0.407 0.000 0.241 152 I C 3.363 179.525 176.117 0.075 0.000 1.075 152 I CA 2.284 63.629 61.300 0.074 0.000 1.334 152 I CB -1.086 36.953 38.000 0.066 0.000 1.040 152 I HN 0.916 nan 8.210 nan 0.000 0.405 153 A N 1.528 124.406 122.820 0.098 0.000 1.893 153 A HA -0.313 3.763 4.320 -0.407 0.000 0.222 153 A C 2.434 180.098 177.584 0.133 0.000 1.309 153 A CA 2.882 54.990 52.037 0.118 0.000 0.681 153 A CB -1.777 17.288 19.000 0.108 0.000 0.842 153 A HN 0.515 nan 8.150 nan 0.000 0.468 154 G N -1.517 107.384 108.800 0.169 0.000 2.404 154 G HA2 -0.011 3.705 3.960 -0.407 0.000 0.215 154 G HA3 -0.011 3.705 3.960 -0.407 0.000 0.215 154 G C 1.530 176.484 174.900 0.091 0.000 1.174 154 G CA 1.174 46.416 45.100 0.236 0.000 0.780 154 G HN 0.399 nan 8.290 nan 0.000 0.537 155 V N 0.915 120.850 119.914 0.035 0.000 2.287 155 V HA -0.228 3.648 4.120 -0.407 0.000 0.248 155 V C 2.957 178.965 176.094 -0.144 0.000 1.053 155 V CA 2.107 64.357 62.300 -0.083 0.000 1.027 155 V CB -0.501 31.298 31.823 -0.039 0.000 0.646 155 V HN 0.319 nan 8.190 nan 0.000 0.447 156 R N -0.481 119.937 120.500 -0.138 0.000 2.103 156 R HA -0.230 3.866 4.340 -0.407 0.000 0.242 156 R C 2.365 178.408 176.300 -0.428 0.000 1.142 156 R CA 1.835 57.742 56.100 -0.321 0.000 0.960 156 R CB -0.362 29.808 30.300 -0.216 0.000 0.858 156 R HN 0.605 nan 8.270 nan 0.000 0.439 157 E N 0.282 120.420 120.200 -0.104 0.000 2.152 157 E HA -0.117 3.989 4.350 -0.407 0.000 0.192 157 E C 1.940 178.515 176.600 -0.042 0.000 0.983 157 E CA 0.470 56.891 56.400 0.036 0.000 0.818 157 E CB 0.226 30.029 29.700 0.172 0.000 0.758 157 E HN 0.152 nan 8.360 nan 0.000 0.467 158 R N 0.094 120.540 120.500 -0.092 0.000 2.120 158 R HA -0.061 4.035 4.340 -0.407 0.000 0.234 158 R C 2.154 178.365 176.300 -0.150 0.000 1.123 158 R CA 0.687 56.717 56.100 -0.117 0.000 0.975 158 R CB -0.222 29.972 30.300 -0.177 0.000 0.866 158 R HN 0.285 nan 8.270 nan 0.000 0.446 159 L N 0.374 121.467 121.223 -0.217 0.000 2.616 159 L HA 0.081 4.177 4.340 -0.407 0.000 0.229 159 L C 0.242 176.964 176.870 -0.246 0.000 1.110 159 L CA -0.023 54.679 54.840 -0.229 0.000 0.884 159 L CB 0.106 42.003 42.059 -0.270 0.000 1.115 159 L HN 0.021 nan 8.230 nan 0.000 0.481 160 Q N -0.599 119.020 119.800 -0.301 0.000 2.480 160 Q HA -0.200 3.896 4.340 -0.407 0.000 0.265 160 Q C 0.221 175.907 176.000 -0.524 0.000 1.072 160 Q CA 1.012 56.650 55.803 -0.276 0.000 1.018 160 Q CB -1.848 26.883 28.738 -0.011 0.000 1.433 160 Q HN 0.481 nan 8.270 nan 0.000 0.513 161 A N 0.640 122.971 122.820 -0.815 0.000 2.366 161 A HA 0.680 4.756 4.320 -0.407 0.000 0.322 161 A C -0.469 176.631 177.584 -0.808 0.000 1.397 161 A CA -0.265 51.400 52.037 -0.620 0.000 0.984 161 A CB 0.097 18.817 19.000 -0.467 0.000 1.149 161 A HN 0.159 nan 8.150 nan 0.000 0.540 162 F N 0.781 120.685 119.950 -0.076 0.000 2.563 162 F HA 0.411 4.694 4.527 -0.407 0.000 0.316 162 F C 0.377 176.154 175.800 -0.038 0.000 1.076 162 F CA -0.555 57.414 58.000 -0.051 0.000 0.921 162 F CB 1.773 40.762 39.000 -0.017 0.000 1.209 162 F HN 0.585 nan 8.300 nan 0.000 0.462 163 D N 1.225 121.727 120.400 0.170 0.000 2.837 163 D HA -0.218 4.179 4.640 -0.407 0.000 0.230 163 D C -0.329 176.030 176.300 0.098 0.000 1.152 163 D CA 0.943 55.029 54.000 0.143 0.000 0.736 163 D CB -0.689 40.218 40.800 0.179 0.000 1.084 163 D HN 0.772 nan 8.370 nan 0.000 0.429 164 R N -2.413 117.985 120.500 -0.170 0.000 2.663 164 R HA 0.622 4.718 4.340 -0.407 0.000 0.267 164 R C -3.270 172.501 176.300 -0.883 0.000 1.038 164 R CA -1.544 54.165 56.100 -0.651 0.000 0.886 164 R CB 1.558 31.457 30.300 -0.669 0.000 1.249 164 R HN -0.248 nan 8.270 nan 0.000 0.463 165 P HA 0.094 nan 4.420 nan 0.000 0.272 165 P C -0.262 176.254 177.300 -1.308 0.000 1.240 165 P CA -0.379 61.915 63.100 -1.343 0.000 0.791 165 P CB 0.495 31.103 31.700 -1.819 0.000 0.978 166 I N 1.677 121.739 120.570 -0.846 0.000 2.371 166 I HA 0.188 4.114 4.170 -0.407 0.000 0.290 166 I C 0.502 176.299 176.117 -0.533 0.000 1.028 166 I CA -0.560 60.349 61.300 -0.652 0.000 1.345 166 I CB -1.128 36.677 38.000 -0.325 0.000 1.407 166 I HN 0.227 nan 8.210 nan 0.000 0.501 167 F N 6.570 126.415 119.950 -0.174 0.000 2.375 167 F HA 0.370 4.653 4.527 -0.406 0.000 0.362 167 F C 0.237 175.998 175.800 -0.064 0.000 1.129 167 F CA -0.485 57.508 58.000 -0.012 0.000 1.154 167 F CB 0.300 39.289 39.000 -0.018 0.000 1.205 167 F HN 0.217 nan 8.300 nan 0.000 0.513 168 F N 1.209 121.282 119.950 0.206 0.000 2.408 168 F HA 0.758 5.041 4.527 -0.406 0.000 0.325 168 F C 0.724 176.597 175.800 0.121 0.000 1.082 168 F CA -0.879 57.199 58.000 0.131 0.000 1.032 168 F CB 1.634 40.681 39.000 0.078 0.000 1.259 168 F HN 0.419 nan 8.300 nan 0.000 0.503 169 G N 0.092 109.086 108.800 0.324 0.000 2.760 169 G HA2 0.524 4.241 3.960 -0.407 0.000 0.296 169 G HA3 0.524 4.241 3.960 -0.407 0.000 0.296 169 G C -2.215 172.884 174.900 0.331 0.000 1.427 169 G CA -0.712 44.568 45.100 0.300 0.000 1.109 169 G HN 0.477 nan 8.290 nan 0.000 0.553 170 V N 3.200 123.284 119.914 0.283 0.000 2.348 170 V HA 0.324 4.200 4.120 -0.407 0.000 0.270 170 V C 0.716 176.734 176.094 -0.126 0.000 1.037 170 V CA -0.673 61.701 62.300 0.123 0.000 0.872 170 V CB 0.717 32.594 31.823 0.089 0.000 1.002 170 V HN 0.647 nan 8.190 nan 0.000 0.464 171 I N 5.510 125.864 120.570 -0.360 0.000 2.752 171 I HA 0.099 4.025 4.170 -0.407 0.000 0.289 171 I C 0.633 176.283 176.117 -0.778 0.000 1.197 171 I CA 0.894 61.553 61.300 -1.067 0.000 1.432 171 I CB 0.064 37.722 38.000 -0.569 0.000 1.359 171 I HN 0.562 nan 8.210 nan 0.000 0.571 172 K N 7.616 127.442 120.400 -0.957 0.000 2.468 172 K HA 0.492 4.568 4.320 -0.407 0.000 0.252 172 K C -2.457 173.935 176.600 -0.346 0.000 0.932 172 K CA -1.668 54.361 56.287 -0.431 0.000 0.794 172 K CB 2.184 34.580 32.500 -0.174 0.000 1.241 172 K HN 0.280 nan 8.250 nan 0.000 0.428 173 P HA 0.087 nan 4.420 nan 0.000 0.273 173 P C -0.639 176.476 177.300 -0.309 0.000 1.250 173 P CA -0.184 62.788 63.100 -0.213 0.000 0.793 173 P CB 0.874 32.492 31.700 -0.138 0.000 1.011 174 N N 0.194 118.819 118.700 -0.126 0.000 3.170 174 N HA 0.050 4.546 4.740 -0.407 0.000 0.235 174 N C 0.504 176.182 175.510 0.280 0.000 1.037 174 N CA 0.001 53.096 53.050 0.076 0.000 1.160 174 N CB -0.218 38.385 38.487 0.192 0.000 1.606 174 N HN 0.183 nan 8.380 nan 0.000 0.580 175 I N 2.400 123.093 120.570 0.204 0.000 2.872 175 I HA 0.010 3.936 4.170 -0.407 0.000 0.287 175 I C 1.473 177.534 176.117 -0.095 0.000 1.197 175 I CA 1.658 63.034 61.300 0.127 0.000 1.390 175 I CB -0.580 37.440 38.000 0.033 0.000 1.400 175 I HN 0.785 nan 8.210 nan 0.000 0.544 176 G N 5.851 114.487 108.800 -0.272 0.000 2.316 176 G HA2 -0.175 3.541 3.960 -0.407 0.000 0.203 176 G HA3 -0.175 3.541 3.960 -0.407 0.000 0.203 176 G C 0.178 175.061 174.900 -0.030 0.000 0.999 176 G CA -0.639 44.290 45.100 -0.285 0.000 0.649 176 G HN 0.430 nan 8.290 nan 0.000 0.489 177 L N 3.564 124.886 121.223 0.166 0.000 2.290 177 L HA 0.378 4.474 4.340 -0.407 0.000 0.284 177 L C -1.240 175.865 176.870 0.392 0.000 1.078 177 L CA -1.788 53.186 54.840 0.223 0.000 0.815 177 L CB 1.122 43.259 42.059 0.130 0.000 1.162 177 L HN 0.076 nan 8.230 nan 0.000 0.435 178 P HA 0.117 nan 4.420 nan 0.000 0.272 178 P C -2.358 175.093 177.300 0.252 0.000 1.254 178 P CA -1.199 62.048 63.100 0.246 0.000 0.795 178 P CB -0.094 31.698 31.700 0.154 0.000 1.022 179 P HA -0.066 nan 4.420 nan 0.000 0.225 179 P C 1.696 179.078 177.300 0.137 0.000 1.156 179 P CA 1.050 64.202 63.100 0.087 0.000 0.787 179 P CB 0.010 31.698 31.700 -0.019 0.000 0.802 180 Q N 0.401 120.273 119.800 0.120 0.000 1.994 180 Q HA -0.054 4.042 4.340 -0.407 0.000 0.198 180 Q C -0.698 175.374 176.000 0.120 0.000 0.976 180 Q CA 2.004 57.864 55.803 0.095 0.000 0.828 180 Q CB -1.753 27.021 28.738 0.059 0.000 0.894 180 Q HN 0.218 nan 8.270 nan 0.000 0.432 181 P HA -0.113 nan 4.420 nan 0.000 0.239 181 P C 1.012 178.356 177.300 0.073 0.000 1.184 181 P CA 0.723 63.868 63.100 0.075 0.000 0.760 181 P CB -0.394 31.329 31.700 0.039 0.000 0.884 182 F N 1.506 121.460 119.950 0.006 0.000 2.128 182 F HA -0.065 4.218 4.527 -0.407 0.000 0.295 182 F C 2.588 178.377 175.800 -0.018 0.000 1.100 182 F CA 1.398 59.389 58.000 -0.016 0.000 1.260 182 F CB -0.472 38.520 39.000 -0.014 0.000 1.009 182 F HN -0.072 nan 8.300 nan 0.000 0.476 183 A N -0.176 122.800 122.820 0.260 0.000 1.940 183 A HA -0.192 3.884 4.320 -0.407 0.000 0.219 183 A C 2.096 179.796 177.584 0.193 0.000 1.176 183 A CA 1.688 53.831 52.037 0.178 0.000 0.631 183 A CB -0.644 18.422 19.000 0.110 0.000 0.814 183 A HN 0.336 nan 8.150 nan 0.000 0.446 184 E N 0.296 120.585 120.200 0.149 0.000 2.033 184 E HA -0.216 3.890 4.350 -0.407 0.000 0.199 184 E C 2.072 178.792 176.600 0.201 0.000 1.011 184 E CA 1.474 57.969 56.400 0.159 0.000 0.815 184 E CB -0.669 29.089 29.700 0.097 0.000 0.755 184 E HN 0.693 nan 8.360 nan 0.000 0.451 185 L N 0.024 121.321 121.223 0.122 0.000 2.046 185 L HA -0.131 3.965 4.340 -0.407 0.000 0.208 185 L C 2.548 179.539 176.870 0.202 0.000 1.077 185 L CA 1.384 56.319 54.840 0.157 0.000 0.747 185 L CB -0.963 41.104 42.059 0.013 0.000 0.896 185 L HN 0.208 nan 8.230 nan 0.000 0.432 186 G N -0.691 108.150 108.800 0.069 0.000 2.459 186 G HA2 -0.375 3.341 3.960 -0.407 0.000 0.217 186 G HA3 -0.375 3.341 3.960 -0.407 0.000 0.217 186 G C 1.491 176.294 174.900 -0.162 0.000 1.183 186 G CA 1.014 45.986 45.100 -0.212 0.000 0.776 186 G HN 0.372 nan 8.290 nan 0.000 0.552 187 Y N 1.487 121.866 120.300 0.132 0.000 2.102 187 Y HA -0.256 4.050 4.550 -0.407 0.000 0.280 187 Y C 3.028 179.080 175.900 0.254 0.000 1.178 187 Y CA 2.513 60.826 58.100 0.355 0.000 1.146 187 Y CB -0.276 38.326 38.460 0.237 0.000 0.968 187 Y HN 0.277 nan 8.280 nan 0.000 0.504 188 Q N -0.238 119.589 119.800 0.044 0.000 2.016 188 Q HA -0.183 3.914 4.340 -0.407 0.000 0.200 188 Q C 2.590 178.512 176.000 -0.130 0.000 0.978 188 Q CA 2.076 57.830 55.803 -0.083 0.000 0.833 188 Q CB -0.658 28.114 28.738 0.057 0.000 0.895 188 Q HN 0.659 nan 8.270 nan 0.000 0.427 189 S N 0.088 115.709 115.700 -0.132 0.000 2.383 189 S HA -0.168 4.058 4.470 -0.407 0.000 0.229 189 S C 1.664 176.183 174.600 -0.134 0.000 1.030 189 S CA 0.801 58.855 58.200 -0.243 0.000 1.002 189 S CB -0.569 62.406 63.200 -0.375 0.000 0.829 189 S HN 0.396 nan 8.310 nan 0.000 0.467 190 W N 2.481 123.729 121.300 -0.086 0.000 2.355 190 W HA -0.019 4.396 4.660 -0.407 0.000 0.309 190 W C 2.786 179.211 176.519 -0.156 0.000 1.206 190 W CA 1.506 58.793 57.345 -0.097 0.000 1.284 190 W CB -1.582 27.832 29.460 -0.077 0.000 1.145 190 W HN 0.393 nan 8.180 nan 0.000 0.502 191 T N -0.403 114.141 114.554 -0.017 0.000 2.746 191 T HA -0.127 3.979 4.350 -0.407 0.000 0.267 191 T C 2.012 176.671 174.700 -0.068 0.000 1.039 191 T CA 1.794 63.825 62.100 -0.114 0.000 1.142 191 T CB -0.912 67.794 68.868 -0.269 0.000 0.866 191 T HN 0.242 nan 8.240 nan 0.000 0.444 192 G N 0.536 109.285 108.800 -0.086 0.000 2.448 192 G HA2 0.221 3.937 3.960 -0.407 0.000 0.219 192 G HA3 0.221 3.937 3.960 -0.407 0.000 0.219 192 G C 1.107 175.960 174.900 -0.078 0.000 1.127 192 G CA 0.942 45.984 45.100 -0.097 0.000 0.766 192 G HN 0.883 nan 8.290 nan 0.000 0.552 193 G N -1.367 107.409 108.800 -0.040 0.000 2.276 193 G HA2 -0.131 3.585 3.960 -0.407 0.000 0.177 193 G HA3 -0.131 3.585 3.960 -0.407 0.000 0.177 193 G C 0.158 175.074 174.900 0.028 0.000 1.017 193 G CA -0.335 44.758 45.100 -0.011 0.000 0.750 193 G HN 0.309 nan 8.290 nan 0.000 0.506 194 L N 0.954 122.206 121.223 0.049 0.000 2.426 194 L HA 0.266 4.362 4.340 -0.407 0.000 0.271 194 L C 0.978 177.988 176.870 0.234 0.000 1.169 194 L CA -0.196 54.712 54.840 0.112 0.000 0.836 194 L CB 0.710 42.780 42.059 0.017 0.000 1.112 194 L HN 0.065 nan 8.230 nan 0.000 0.465 195 D N 2.501 123.000 120.400 0.165 0.000 2.144 195 D HA 0.172 4.568 4.640 -0.407 0.000 0.207 195 D C 0.321 176.714 176.300 0.156 0.000 0.970 195 D CA 1.326 55.370 54.000 0.073 0.000 0.853 195 D CB 0.505 41.229 40.800 -0.127 0.000 1.007 195 D HN 0.289 nan 8.370 nan 0.000 0.469 196 I N 0.540 121.136 120.570 0.043 0.000 2.466 196 I HA 0.411 4.337 4.170 -0.407 0.000 0.289 196 I C -0.778 175.424 176.117 0.141 0.000 1.026 196 I CA -0.888 60.473 61.300 0.102 0.000 1.078 196 I CB 2.331 40.156 38.000 -0.292 0.000 1.249 196 I HN -0.194 nan 8.210 nan 0.000 0.429 197 A N 6.795 129.731 122.820 0.194 0.000 2.288 197 A HA 0.722 4.798 4.320 -0.407 0.000 0.320 197 A C -0.475 177.234 177.584 0.209 0.000 1.217 197 A CA -0.547 51.500 52.037 0.017 0.000 0.840 197 A CB 0.712 19.386 19.000 -0.544 0.000 1.179 197 A HN 0.759 nan 8.150 nan 0.000 0.504 198 K N 2.006 122.527 120.400 0.201 0.000 2.328 198 K HA 0.588 4.664 4.320 -0.407 0.000 0.246 198 K C -1.433 175.275 176.600 0.179 0.000 0.955 198 K CA -0.861 55.534 56.287 0.179 0.000 0.817 198 K CB 1.455 34.078 32.500 0.205 0.000 1.208 198 K HN 0.402 nan 8.250 nan 0.000 0.432 199 D N 1.667 122.153 120.400 0.143 0.000 2.372 199 D HA 0.039 4.435 4.640 -0.407 0.000 0.243 199 D C -0.545 175.814 176.300 0.098 0.000 1.121 199 D CA 0.116 54.201 54.000 0.141 0.000 0.898 199 D CB 1.005 41.844 40.800 0.064 0.000 1.202 199 D HN 0.589 nan 8.370 nan 0.000 0.428 200 D N 0.273 120.727 120.400 0.090 0.000 2.400 200 D HA -0.040 4.356 4.640 -0.407 0.000 0.238 200 D C 0.848 177.110 176.300 -0.065 0.000 1.157 200 D CA 0.019 54.024 54.000 0.009 0.000 0.889 200 D CB 0.790 41.604 40.800 0.022 0.000 1.199 200 D HN 0.186 nan 8.370 nan 0.000 0.436 201 E N 1.573 121.631 120.200 -0.236 0.000 2.130 201 E HA -0.207 3.899 4.350 -0.407 0.000 0.196 201 E C 1.173 177.681 176.600 -0.153 0.000 0.998 201 E CA 1.492 57.699 56.400 -0.322 0.000 0.806 201 E CB -0.229 29.102 29.700 -0.614 0.000 0.738 201 E HN 0.589 nan 8.360 nan 0.000 0.459 202 M N 0.211 119.751 119.600 -0.101 0.000 2.571 202 M HA 0.199 4.436 4.480 -0.407 0.000 0.235 202 M C -0.288 176.033 176.300 0.035 0.000 1.216 202 M CA -0.244 55.040 55.300 -0.027 0.000 0.979 202 M CB 0.440 33.034 32.600 -0.010 0.000 1.616 202 M HN -0.014 nan 8.290 nan 0.000 0.469 203 L N 0.656 121.888 121.223 0.015 0.000 2.353 203 L HA 0.759 4.855 4.340 -0.407 0.000 0.270 203 L C -0.370 176.462 176.870 -0.063 0.000 1.003 203 L CA -0.082 54.766 54.840 0.013 0.000 0.862 203 L CB 0.579 42.683 42.059 0.075 0.000 1.221 203 L HN 0.124 nan 8.230 nan 0.000 0.430 204 A N 2.930 125.686 122.820 -0.106 0.000 3.934 204 A HA 0.545 4.621 4.320 -0.407 0.000 0.163 204 A C -0.792 176.675 177.584 -0.195 0.000 1.103 204 A CA -0.338 51.628 52.037 -0.118 0.000 1.170 204 A CB 0.021 18.975 19.000 -0.076 0.000 1.564 204 A HN 0.513 nan 8.150 nan 0.000 0.705 205 D N 0.510 120.812 120.400 -0.163 0.000 2.393 205 D HA 0.464 4.860 4.640 -0.407 0.000 0.232 205 D C -0.679 175.478 176.300 -0.239 0.000 1.192 205 D CA 0.406 54.293 54.000 -0.187 0.000 0.882 205 D CB 0.280 41.011 40.800 -0.116 0.000 1.038 205 D HN 0.452 nan 8.370 nan 0.000 0.499 206 V N 0.970 120.647 119.914 -0.394 0.000 3.040 206 V HA 0.365 4.241 4.120 -0.407 0.000 0.312 206 V C 1.041 176.853 176.094 -0.470 0.000 1.115 206 V CA -0.956 61.056 62.300 -0.479 0.000 0.998 206 V CB 1.861 33.212 31.823 -0.787 0.000 1.042 206 V HN 0.180 nan 8.190 nan 0.000 0.433 207 D N 1.748 121.987 120.400 -0.269 0.000 2.204 207 D HA -0.218 4.178 4.640 -0.407 0.000 0.189 207 D C 1.767 178.019 176.300 -0.081 0.000 1.006 207 D CA 3.052 56.993 54.000 -0.098 0.000 0.855 207 D CB -0.102 40.739 40.800 0.069 0.000 0.946 207 D HN 0.900 nan 8.370 nan 0.000 0.448 208 W N -0.659 120.641 121.300 0.001 0.000 2.584 208 W HA 0.187 4.603 4.660 -0.407 0.000 0.264 208 W C 0.471 176.993 176.519 0.006 0.000 1.264 208 W CA -0.031 57.319 57.345 0.007 0.000 1.306 208 W CB -0.805 28.663 29.460 0.013 0.000 1.110 208 W HN 0.080 nan 8.180 nan 0.000 0.606 209 C N 4.173 123.223 119.300 -0.416 0.000 3.482 209 C HA 0.351 4.567 4.460 -0.407 0.000 0.208 209 C C -2.088 172.671 174.990 -0.384 0.000 1.306 209 C CA -1.729 57.101 59.018 -0.312 0.000 1.254 209 C CB -0.787 26.788 27.740 -0.275 0.000 1.832 209 C HN -0.134 nan 8.230 nan 0.000 0.554 210 P HA 0.042 nan 4.420 nan 0.000 0.267 210 P C 0.802 177.994 177.300 -0.180 0.000 1.200 210 P CA 0.139 63.111 63.100 -0.213 0.000 0.772 210 P CB 0.788 32.407 31.700 -0.135 0.000 0.855 211 L N 3.716 124.847 121.223 -0.153 0.000 2.093 211 L HA -0.119 3.977 4.340 -0.407 0.000 0.208 211 L C 2.423 179.251 176.870 -0.069 0.000 1.085 211 L CA 2.275 57.050 54.840 -0.107 0.000 0.755 211 L CB -1.497 40.516 42.059 -0.078 0.000 0.904 211 L HN 0.461 nan 8.230 nan 0.000 0.435 212 A N -0.259 122.522 122.820 -0.064 0.000 1.915 212 A HA -0.322 3.754 4.320 -0.407 0.000 0.220 212 A C 2.177 179.732 177.584 -0.048 0.000 1.198 212 A CA 2.521 54.531 52.037 -0.045 0.000 0.647 212 A CB -0.732 18.242 19.000 -0.043 0.000 0.825 212 A HN 0.695 nan 8.150 nan 0.000 0.456 213 E N -1.598 118.562 120.200 -0.067 0.000 2.102 213 E HA -0.026 4.080 4.350 -0.407 0.000 0.190 213 E C 2.382 178.927 176.600 -0.092 0.000 0.971 213 E CA 0.139 56.500 56.400 -0.066 0.000 0.821 213 E CB -0.166 29.499 29.700 -0.058 0.000 0.777 213 E HN 0.458 nan 8.360 nan 0.000 0.460 214 R N 0.877 121.295 120.500 -0.136 0.000 2.115 214 R HA -0.196 3.900 4.340 -0.407 0.000 0.239 214 R C 2.367 178.549 176.300 -0.196 0.000 1.133 214 R CA 1.680 57.653 56.100 -0.211 0.000 0.935 214 R CB -0.405 29.731 30.300 -0.273 0.000 0.853 214 R HN 0.144 nan 8.270 nan 0.000 0.433 215 A N 0.571 123.338 122.820 -0.090 0.000 1.902 215 A HA -0.105 3.971 4.320 -0.407 0.000 0.217 215 A C 2.337 179.880 177.584 -0.069 0.000 1.181 215 A CA 1.704 53.731 52.037 -0.017 0.000 0.623 215 A CB -0.611 18.467 19.000 0.131 0.000 0.818 215 A HN 0.488 nan 8.150 nan 0.000 0.443 216 A N -0.025 122.763 122.820 -0.053 0.000 1.873 216 A HA -0.134 3.942 4.320 -0.407 0.000 0.218 216 A C 2.180 179.729 177.584 -0.058 0.000 1.193 216 A CA 1.714 53.725 52.037 -0.043 0.000 0.629 216 A CB -0.656 18.324 19.000 -0.035 0.000 0.826 216 A HN 0.472 nan 8.150 nan 0.000 0.447 217 L N -1.370 119.808 121.223 -0.075 0.000 2.072 217 L HA -0.097 3.999 4.340 -0.407 0.000 0.205 217 L C 2.586 179.421 176.870 -0.059 0.000 1.079 217 L CA 1.010 55.818 54.840 -0.054 0.000 0.752 217 L CB -0.579 41.458 42.059 -0.036 0.000 0.906 217 L HN 0.352 nan 8.230 nan 0.000 0.436 218 L N -0.413 120.703 121.223 -0.179 0.000 2.156 218 L HA -0.046 4.050 4.340 -0.407 0.000 0.208 218 L C 2.614 179.411 176.870 -0.121 0.000 1.095 218 L CA 1.097 55.796 54.840 -0.235 0.000 0.770 218 L CB -0.704 40.819 42.059 -0.893 0.000 0.914 218 L HN 0.225 nan 8.230 nan 0.000 0.439 219 G N -0.770 107.948 108.800 -0.137 0.000 2.418 219 G HA2 -0.272 3.444 3.960 -0.407 0.000 0.217 219 G HA3 -0.272 3.444 3.960 -0.407 0.000 0.217 219 G C 1.251 176.131 174.900 -0.035 0.000 1.158 219 G CA 0.807 45.891 45.100 -0.027 0.000 0.771 219 G HN 0.254 nan 8.290 nan 0.000 0.545 220 D N 0.972 121.358 120.400 -0.023 0.000 2.087 220 D HA -0.085 4.311 4.640 -0.407 0.000 0.192 220 D C 2.913 179.222 176.300 0.015 0.000 0.993 220 D CA 1.403 55.395 54.000 -0.013 0.000 0.828 220 D CB -0.466 40.326 40.800 -0.013 0.000 0.968 220 D HN 0.253 nan 8.370 nan 0.000 0.448 221 A N 0.378 123.251 122.820 0.089 0.000 1.986 221 A HA -0.218 3.858 4.320 -0.407 0.000 0.220 221 A C 2.544 180.241 177.584 0.188 0.000 1.171 221 A CA 1.687 53.880 52.037 0.260 0.000 0.640 221 A CB -1.061 18.203 19.000 0.439 0.000 0.811 221 A HN 0.439 nan 8.150 nan 0.000 0.451 222 C N -0.976 118.245 119.300 -0.131 0.000 2.489 222 C HA 0.019 4.235 4.460 -0.407 0.000 0.279 222 C C 2.799 177.547 174.990 -0.403 0.000 1.266 222 C CA 1.088 59.670 59.018 -0.726 0.000 1.707 222 C CB -1.166 26.153 27.740 -0.702 0.000 2.059 222 C HN 0.660 nan 8.230 nan 0.000 0.481 223 R N -0.061 120.320 120.500 -0.198 0.000 2.105 223 R HA -0.133 3.963 4.340 -0.407 0.000 0.239 223 R C 2.577 178.833 176.300 -0.073 0.000 1.135 223 R CA 1.581 57.608 56.100 -0.123 0.000 0.967 223 R CB -0.359 29.898 30.300 -0.072 0.000 0.861 223 R HN 0.561 nan 8.270 nan 0.000 0.442 224 R N -0.126 120.365 120.500 -0.016 0.000 2.062 224 R HA -0.081 4.015 4.340 -0.407 0.000 0.231 224 R C 2.201 178.573 176.300 0.119 0.000 1.136 224 R CA 1.530 57.671 56.100 0.069 0.000 0.948 224 R CB -0.200 30.164 30.300 0.106 0.000 0.845 224 R HN 0.204 nan 8.270 nan 0.000 0.430 225 A N -0.565 122.327 122.820 0.120 0.000 1.969 225 A HA -0.115 3.961 4.320 -0.407 0.000 0.218 225 A C 2.107 179.646 177.584 -0.076 0.000 1.169 225 A CA 1.611 53.667 52.037 0.032 0.000 0.635 225 A CB -0.471 18.516 19.000 -0.022 0.000 0.810 225 A HN 0.345 nan 8.150 nan 0.000 0.445 226 S N -0.553 115.054 115.700 -0.156 0.000 2.368 226 S HA -0.022 4.204 4.470 -0.407 0.000 0.225 226 S C 2.201 176.755 174.600 -0.076 0.000 1.030 226 S CA 1.430 59.538 58.200 -0.153 0.000 0.999 226 S CB -0.369 62.714 63.200 -0.197 0.000 0.844 226 S HN 0.758 nan 8.310 nan 0.000 0.459 227 A N 0.910 123.702 122.820 -0.047 0.000 1.873 227 A HA -0.030 4.046 4.320 -0.407 0.000 0.215 227 A C 1.923 179.506 177.584 -0.001 0.000 1.186 227 A CA 1.485 53.511 52.037 -0.020 0.000 0.616 227 A CB -0.629 18.365 19.000 -0.009 0.000 0.823 227 A HN 0.622 nan 8.150 nan 0.000 0.442 228 E N -0.739 119.472 120.200 0.018 0.000 2.204 228 E HA -0.115 3.991 4.350 -0.407 0.000 0.194 228 E C 1.966 178.575 176.600 0.015 0.000 0.989 228 E CA 1.515 57.935 56.400 0.034 0.000 0.824 228 E CB -0.093 29.655 29.700 0.080 0.000 0.756 228 E HN 0.842 nan 8.360 nan 0.000 0.477 229 T N -4.294 110.257 114.554 -0.005 0.000 3.014 229 T HA 0.251 4.357 4.350 -0.407 0.000 0.250 229 T C 1.635 176.329 174.700 -0.009 0.000 1.060 229 T CA 0.403 62.498 62.100 -0.009 0.000 1.040 229 T CB 0.732 69.590 68.868 -0.018 0.000 0.971 229 T HN 0.222 nan 8.240 nan 0.000 0.497 230 G N 0.912 109.702 108.800 -0.016 0.000 2.184 230 G HA2 -0.233 3.483 3.960 -0.407 0.000 0.264 230 G HA3 -0.233 3.483 3.960 -0.407 0.000 0.264 230 G C 0.051 174.939 174.900 -0.020 0.000 0.975 230 G CA 0.193 45.285 45.100 -0.014 0.000 0.642 230 G HN 0.786 nan 8.290 nan 0.000 0.536 231 V N 2.243 122.138 119.914 -0.032 0.000 2.483 231 V HA 0.563 4.439 4.120 -0.407 0.000 0.295 231 V C -1.704 174.344 176.094 -0.076 0.000 1.035 231 V CA -1.879 60.397 62.300 -0.040 0.000 0.896 231 V CB 1.905 33.711 31.823 -0.028 0.000 0.986 231 V HN 0.143 nan 8.190 nan 0.000 0.447 232 P HA 0.173 nan 4.420 nan 0.000 0.267 232 P C -0.845 176.359 177.300 -0.159 0.000 1.209 232 P CA -0.029 62.998 63.100 -0.121 0.000 0.763 232 P CB 0.585 32.222 31.700 -0.105 0.000 0.816 233 K N 3.172 123.424 120.400 -0.247 0.000 2.221 233 K HA 0.650 4.726 4.320 -0.407 0.000 0.243 233 K C 0.048 176.456 176.600 -0.319 0.000 0.968 233 K CA -0.955 55.114 56.287 -0.363 0.000 0.846 233 K CB 1.991 34.008 32.500 -0.804 0.000 1.141 233 K HN 0.466 nan 8.250 nan 0.000 0.434 234 I N 1.451 121.946 120.570 -0.125 0.000 2.569 234 I HA 0.173 4.099 4.170 -0.407 0.000 0.290 234 I C -1.389 174.969 176.117 0.403 0.000 1.088 234 I CA -1.109 60.215 61.300 0.040 0.000 1.047 234 I CB 1.986 39.976 38.000 -0.015 0.000 1.237 234 I HN 0.476 nan 8.210 nan 0.000 0.421 235 Y N 7.581 128.028 120.300 0.244 0.000 2.335 235 Y HA 0.517 4.824 4.550 -0.406 0.000 0.339 235 Y C -1.171 174.849 175.900 0.201 0.000 0.987 235 Y CA -0.986 57.350 58.100 0.394 0.000 1.140 235 Y CB 1.285 39.974 38.460 0.381 0.000 1.173 235 Y HN 0.437 nan 8.280 nan 0.000 0.486 236 L N 7.313 128.358 121.223 -0.297 0.000 2.270 236 L HA 0.708 4.804 4.340 -0.407 0.000 0.286 236 L C -0.554 175.943 176.870 -0.621 0.000 1.059 236 L CA -0.427 54.216 54.840 -0.329 0.000 0.839 236 L CB -0.092 41.965 42.059 -0.002 0.000 1.221 236 L HN 0.769 nan 8.230 nan 0.000 0.431 237 A N 4.151 126.550 122.820 -0.701 0.000 2.301 237 A HA 0.432 4.508 4.320 -0.407 0.000 0.298 237 A C -0.108 177.376 177.584 -0.167 0.000 1.185 237 A CA -0.583 51.154 52.037 -0.500 0.000 0.830 237 A CB 0.087 18.880 19.000 -0.345 0.000 1.112 237 A HN 0.788 nan 8.150 nan 0.000 0.508 238 N N 1.596 120.245 118.700 -0.086 0.000 2.430 238 N HA 0.381 4.877 4.740 -0.407 0.000 0.265 238 N C 0.142 175.636 175.510 -0.026 0.000 1.100 238 N CA -0.284 52.748 53.050 -0.029 0.000 0.961 238 N CB 0.269 38.746 38.487 -0.017 0.000 1.075 238 N HN 0.570 nan 8.380 nan 0.000 0.478 239 I N -0.097 120.472 120.570 -0.002 0.000 3.762 239 I HA 0.345 4.271 4.170 -0.407 0.000 0.333 239 I C -0.413 175.709 176.117 0.009 0.000 1.566 239 I CA -0.640 60.661 61.300 0.001 0.000 1.129 239 I CB 0.411 38.423 38.000 0.020 0.000 1.218 239 I HN 0.189 nan 8.210 nan 0.000 0.456 240 T N 2.503 117.060 114.554 0.006 0.000 2.817 240 T HA 0.192 4.298 4.350 -0.407 0.000 0.295 240 T C -0.222 174.473 174.700 -0.009 0.000 0.958 240 T CA 0.658 62.763 62.100 0.007 0.000 1.157 240 T CB 0.415 69.284 68.868 0.002 0.000 0.898 240 T HN 0.495 nan 8.240 nan 0.000 0.536 241 D N 0.803 121.200 120.400 -0.006 0.000 2.738 241 D HA 0.061 4.457 4.640 -0.407 0.000 0.308 241 D C -0.982 175.310 176.300 -0.013 0.000 1.311 241 D CA -0.604 53.388 54.000 -0.014 0.000 0.799 241 D CB 1.355 42.143 40.800 -0.020 0.000 1.332 241 D HN 0.276 nan 8.370 nan 0.000 0.441 242 E N 0.706 120.897 120.200 -0.016 0.000 2.452 242 E HA 0.023 4.129 4.350 -0.407 0.000 0.261 242 E C 1.396 177.985 176.600 -0.019 0.000 0.987 242 E CA 0.136 56.526 56.400 -0.017 0.000 0.926 242 E CB 1.164 30.854 29.700 -0.017 0.000 0.934 242 E HN 0.220 nan 8.360 nan 0.000 0.452 243 V N 3.374 123.276 119.914 -0.019 0.000 2.317 243 V HA -0.366 3.510 4.120 -0.407 0.000 0.251 243 V C 1.808 177.882 176.094 -0.033 0.000 1.065 243 V CA 2.574 64.860 62.300 -0.023 0.000 1.049 243 V CB -0.723 31.087 31.823 -0.022 0.000 0.651 243 V HN 0.685 nan 8.190 nan 0.000 0.450 244 D N -0.039 120.341 120.400 -0.032 0.000 2.144 244 D HA -0.210 4.186 4.640 -0.407 0.000 0.199 244 D C 2.068 178.342 176.300 -0.043 0.000 0.984 244 D CA 1.128 55.105 54.000 -0.039 0.000 0.834 244 D CB -0.513 40.268 40.800 -0.031 0.000 0.955 244 D HN 0.323 nan 8.370 nan 0.000 0.465 245 R N -0.107 120.373 120.500 -0.034 0.000 2.323 245 R HA 0.166 4.262 4.340 -0.407 0.000 0.198 245 R C 2.098 178.380 176.300 -0.030 0.000 0.988 245 R CA -0.070 56.012 56.100 -0.031 0.000 1.041 245 R CB -0.179 30.107 30.300 -0.025 0.000 0.926 245 R HN 0.339 nan 8.270 nan 0.000 0.476 246 L N -0.168 121.034 121.223 -0.035 0.000 2.046 246 L HA -0.193 3.903 4.340 -0.407 0.000 0.208 246 L C 2.121 178.972 176.870 -0.033 0.000 1.077 246 L CA 1.528 56.354 54.840 -0.025 0.000 0.747 246 L CB -0.496 41.545 42.059 -0.031 0.000 0.896 246 L HN 0.152 nan 8.230 nan 0.000 0.432 247 T N -1.143 113.343 114.554 -0.112 0.000 2.777 247 T HA -0.230 3.876 4.350 -0.407 0.000 0.266 247 T C 1.758 176.421 174.700 -0.062 0.000 1.040 247 T CA 1.357 63.323 62.100 -0.223 0.000 1.141 247 T CB -0.096 68.514 68.868 -0.429 0.000 0.868 247 T HN 0.358 nan 8.240 nan 0.000 0.444 248 E N 0.658 120.835 120.200 -0.039 0.000 2.070 248 E HA -0.146 3.960 4.350 -0.407 0.000 0.197 248 E C 2.132 178.754 176.600 0.036 0.000 1.004 248 E CA 1.085 57.489 56.400 0.005 0.000 0.805 248 E CB -0.194 29.500 29.700 -0.010 0.000 0.744 248 E HN 0.448 nan 8.360 nan 0.000 0.451 249 L N 0.379 121.621 121.223 0.030 0.000 2.156 249 L HA -0.168 3.928 4.340 -0.407 0.000 0.208 249 L C 2.874 179.779 176.870 0.058 0.000 1.095 249 L CA 1.084 55.942 54.840 0.030 0.000 0.770 249 L CB -0.849 41.217 42.059 0.012 0.000 0.914 249 L HN 0.367 nan 8.230 nan 0.000 0.439 250 H N 1.118 120.198 119.070 0.017 0.000 2.289 250 H HA -0.226 4.087 4.556 -0.406 0.000 0.296 250 H C 1.543 176.912 175.328 0.069 0.000 1.091 250 H CA 2.425 58.506 56.048 0.055 0.000 1.274 250 H CB 0.077 29.900 29.762 0.101 0.000 1.364 250 H HN 0.327 nan 8.280 nan 0.000 0.490 251 D N 0.424 120.924 120.400 0.166 0.000 2.097 251 D HA -0.115 4.281 4.640 -0.407 0.000 0.195 251 D C 2.648 178.947 176.300 -0.002 0.000 0.989 251 D CA 1.090 55.152 54.000 0.103 0.000 0.827 251 D CB -0.565 40.346 40.800 0.184 0.000 0.966 251 D HN 0.228 nan 8.370 nan 0.000 0.456 252 V N 1.417 121.336 119.914 0.009 0.000 2.282 252 V HA -0.294 3.582 4.120 -0.407 0.000 0.249 252 V C 2.478 178.561 176.094 -0.019 0.000 1.057 252 V CA 2.109 64.406 62.300 -0.005 0.000 1.032 252 V CB -0.818 31.003 31.823 -0.004 0.000 0.645 252 V HN 0.228 nan 8.190 nan 0.000 0.447 253 A N -0.769 122.028 122.820 -0.037 0.000 1.873 253 A HA -0.131 3.945 4.320 -0.407 0.000 0.215 253 A C 2.384 179.940 177.584 -0.046 0.000 1.186 253 A CA 1.900 53.924 52.037 -0.022 0.000 0.616 253 A CB -0.686 18.291 19.000 -0.038 0.000 0.823 253 A HN 0.305 nan 8.150 nan 0.000 0.442 254 V N 0.030 119.854 119.914 -0.151 0.000 2.295 254 V HA -0.257 3.619 4.120 -0.407 0.000 0.246 254 V C 3.072 179.127 176.094 -0.065 0.000 1.049 254 V CA 1.947 64.156 62.300 -0.152 0.000 1.024 254 V CB -1.178 30.460 31.823 -0.309 0.000 0.648 254 V HN 0.613 nan 8.190 nan 0.000 0.447 255 A N -0.090 122.701 122.820 -0.049 0.000 2.032 255 A HA -0.252 3.824 4.320 -0.407 0.000 0.221 255 A C 1.921 179.500 177.584 -0.008 0.000 1.165 255 A CA 2.079 54.106 52.037 -0.017 0.000 0.645 255 A CB -0.570 18.426 19.000 -0.006 0.000 0.807 255 A HN 0.639 nan 8.150 nan 0.000 0.453 256 N N -1.323 117.377 118.700 -0.001 0.000 2.336 256 N HA 0.163 4.659 4.740 -0.407 0.000 0.189 256 N C 0.904 176.430 175.510 0.027 0.000 1.113 256 N CA 0.916 53.973 53.050 0.011 0.000 0.858 256 N CB 0.583 39.081 38.487 0.017 0.000 0.970 256 N HN 0.640 nan 8.380 nan 0.000 0.471 257 G N 0.369 109.187 108.800 0.031 0.000 2.138 257 G HA2 -0.187 3.529 3.960 -0.407 0.000 0.193 257 G HA3 -0.187 3.529 3.960 -0.407 0.000 0.193 257 G C 0.075 175.041 174.900 0.109 0.000 0.998 257 G CA -0.050 45.074 45.100 0.040 0.000 0.668 257 G HN 0.462 nan 8.290 nan 0.000 0.516 258 A N 0.273 123.167 122.820 0.124 0.000 2.409 258 A HA 0.681 4.757 4.320 -0.407 0.000 0.267 258 A C 1.577 179.170 177.584 0.016 0.000 1.127 258 A CA 1.202 53.320 52.037 0.135 0.000 0.795 258 A CB 0.759 19.779 19.000 0.033 0.000 1.061 258 A HN 1.450 nan 8.150 nan 0.000 0.502 259 G N 1.170 109.977 108.800 0.011 0.000 2.603 259 G HA2 0.449 4.165 3.960 -0.407 0.000 0.214 259 G HA3 0.449 4.165 3.960 -0.407 0.000 0.214 259 G C 0.494 175.345 174.900 -0.083 0.000 1.140 259 G CA 1.048 46.122 45.100 -0.043 0.000 0.800 259 G HN 1.569 nan 8.290 nan 0.000 0.533 260 A N -0.899 121.875 122.820 -0.077 0.000 2.612 260 A HA 0.734 4.810 4.320 -0.407 0.000 0.293 260 A C -1.658 175.893 177.584 -0.054 0.000 1.075 260 A CA -0.603 51.398 52.037 -0.060 0.000 0.680 260 A CB 0.889 19.864 19.000 -0.042 0.000 1.279 260 A HN 0.135 nan 8.150 nan 0.000 0.411 261 L N 0.834 122.064 121.223 0.013 0.000 2.346 261 L HA 0.697 4.793 4.340 -0.407 0.000 0.274 261 L C -0.977 175.944 176.870 0.085 0.000 1.007 261 L CA -0.886 53.972 54.840 0.029 0.000 0.818 261 L CB 1.874 43.981 42.059 0.079 0.000 1.284 261 L HN 0.699 nan 8.230 nan 0.000 0.424 262 L N 3.973 125.235 121.223 0.065 0.000 2.313 262 L HA 0.677 4.773 4.340 -0.407 0.000 0.283 262 L C -1.045 175.897 176.870 0.120 0.000 1.013 262 L CA 0.118 55.021 54.840 0.105 0.000 0.816 262 L CB 1.365 43.470 42.059 0.077 0.000 1.236 262 L HN 0.408 nan 8.230 nan 0.000 0.419 263 I N 4.138 124.821 120.570 0.188 0.000 2.545 263 I HA 0.391 4.317 4.170 -0.407 0.000 0.292 263 I C -0.533 175.666 176.117 0.136 0.000 1.040 263 I CA -0.736 60.673 61.300 0.183 0.000 1.068 263 I CB 1.850 40.022 38.000 0.287 0.000 1.251 263 I HN 0.525 nan 8.210 nan 0.000 0.424 264 N N 5.067 123.816 118.700 0.081 0.000 2.406 264 N HA 0.169 4.665 4.740 -0.407 0.000 0.269 264 N C 0.934 176.487 175.510 0.071 0.000 1.210 264 N CA 0.003 53.082 53.050 0.047 0.000 0.966 264 N CB 1.288 39.778 38.487 0.004 0.000 1.293 264 N HN 0.787 nan 8.380 nan 0.000 0.491 265 A N 3.473 126.327 122.820 0.057 0.000 1.884 265 A HA -0.238 3.838 4.320 -0.407 0.000 0.219 265 A C 2.112 179.764 177.584 0.113 0.000 1.197 265 A CA 1.346 53.453 52.037 0.117 0.000 0.637 265 A CB -0.240 18.739 19.000 -0.034 0.000 0.827 265 A HN 0.478 nan 8.150 nan 0.000 0.450 266 M N -0.788 118.864 119.600 0.087 0.000 2.064 266 M HA -0.055 4.181 4.480 -0.407 0.000 0.260 266 M C -0.086 176.164 176.300 -0.083 0.000 1.073 266 M CA 1.642 56.970 55.300 0.046 0.000 1.124 266 M CB -2.496 30.183 32.600 0.133 0.000 1.326 266 M HN 0.143 nan 8.290 nan 0.000 0.410 267 P HA -0.138 nan 4.420 nan 0.000 0.216 267 P C 1.695 178.954 177.300 -0.070 0.000 1.154 267 P CA 1.761 64.785 63.100 -0.127 0.000 0.865 267 P CB -0.425 31.241 31.700 -0.057 0.000 0.789 268 V N -4.476 115.430 119.914 -0.014 0.000 2.591 268 V HA 0.273 4.149 4.120 -0.407 0.000 0.249 268 V C 1.009 177.104 176.094 0.001 0.000 1.053 268 V CA 0.882 63.184 62.300 0.002 0.000 1.068 268 V CB -1.576 30.267 31.823 0.034 0.000 0.689 268 V HN 0.318 nan 8.190 nan 0.000 0.462 269 G N -0.611 108.197 108.800 0.014 0.000 3.067 269 G HA2 -0.121 3.595 3.960 -0.407 0.000 0.686 269 G HA3 -0.121 3.595 3.960 -0.407 0.000 0.686 269 G C -0.309 174.626 174.900 0.059 0.000 1.119 269 G CA -0.142 44.970 45.100 0.019 0.000 0.790 269 G HN 0.314 nan 8.290 nan 0.000 0.605 270 L N 1.264 122.532 121.223 0.076 0.000 2.131 270 L HA -0.080 4.016 4.340 -0.407 0.000 0.210 270 L C 3.032 179.937 176.870 0.059 0.000 1.092 270 L CA 2.001 56.904 54.840 0.104 0.000 0.759 270 L CB -0.411 41.714 42.059 0.110 0.000 0.903 270 L HN 0.730 nan 8.230 nan 0.000 0.435 271 S N -0.256 115.468 115.700 0.040 0.000 2.368 271 S HA -0.194 4.032 4.470 -0.407 0.000 0.225 271 S C 2.152 176.755 174.600 0.005 0.000 1.030 271 S CA 1.251 59.465 58.200 0.024 0.000 0.999 271 S CB -0.022 63.190 63.200 0.019 0.000 0.844 271 S HN 0.471 nan 8.310 nan 0.000 0.459 272 A N 0.918 123.741 122.820 0.005 0.000 1.892 272 A HA -0.074 4.002 4.320 -0.407 0.000 0.218 272 A C 2.342 179.910 177.584 -0.026 0.000 1.188 272 A CA 2.020 54.052 52.037 -0.008 0.000 0.631 272 A CB -1.237 17.765 19.000 0.002 0.000 0.822 272 A HN 0.450 nan 8.150 nan 0.000 0.447 273 V N -0.035 119.865 119.914 -0.023 0.000 2.287 273 V HA -0.287 3.589 4.120 -0.407 0.000 0.248 273 V C 2.663 178.671 176.094 -0.142 0.000 1.053 273 V CA 2.344 64.576 62.300 -0.113 0.000 1.027 273 V CB -0.790 30.924 31.823 -0.181 0.000 0.646 273 V HN 0.602 nan 8.190 nan 0.000 0.447 274 R N -0.629 119.819 120.500 -0.087 0.000 2.127 274 R HA -0.186 3.910 4.340 -0.407 0.000 0.238 274 R C 2.271 178.535 176.300 -0.060 0.000 1.134 274 R CA 1.878 57.939 56.100 -0.065 0.000 0.975 274 R CB -0.226 30.071 30.300 -0.005 0.000 0.865 274 R HN 0.540 nan 8.270 nan 0.000 0.447 275 M N 0.161 119.729 119.600 -0.054 0.000 2.236 275 M HA -0.122 4.114 4.480 -0.407 0.000 0.266 275 M C 1.862 178.126 176.300 -0.060 0.000 1.070 275 M CA 1.207 56.476 55.300 -0.052 0.000 1.137 275 M CB -0.031 32.541 32.600 -0.048 0.000 1.378 275 M HN 0.201 nan 8.290 nan 0.000 0.426 276 L N 1.204 122.383 121.223 -0.073 0.000 2.093 276 L HA -0.133 3.963 4.340 -0.407 0.000 0.208 276 L C 2.512 179.344 176.870 -0.063 0.000 1.085 276 L CA 1.808 56.603 54.840 -0.075 0.000 0.755 276 L CB -0.825 41.193 42.059 -0.067 0.000 0.904 276 L HN 0.340 nan 8.230 nan 0.000 0.435 277 R N 0.341 120.789 120.500 -0.088 0.000 2.117 277 R HA -0.211 3.885 4.340 -0.407 0.000 0.243 277 R C 2.087 178.350 176.300 -0.062 0.000 1.143 277 R CA 1.930 57.980 56.100 -0.084 0.000 0.968 277 R CB -0.477 29.756 30.300 -0.112 0.000 0.863 277 R HN 0.346 nan 8.270 nan 0.000 0.444 278 K N -1.144 119.226 120.400 -0.050 0.000 2.360 278 K HA -0.150 3.926 4.320 -0.407 0.000 0.201 278 K C 1.701 178.288 176.600 -0.022 0.000 1.046 278 K CA 1.389 57.652 56.287 -0.040 0.000 0.945 278 K CB -0.136 32.345 32.500 -0.032 0.000 0.750 278 K HN 0.410 nan 8.250 nan 0.000 0.464 279 H N -0.771 118.211 119.070 -0.145 0.000 3.017 279 H HA 0.301 4.612 4.556 -0.407 0.000 0.255 279 H C -0.190 174.954 175.328 -0.307 0.000 0.990 279 H CA 0.101 56.033 56.048 -0.194 0.000 1.205 279 H CB 0.552 30.192 29.762 -0.203 0.000 1.460 279 H HN 0.044 nan 8.280 nan 0.000 0.478 280 A N 0.995 123.705 122.820 -0.183 0.000 2.407 280 A HA 0.263 4.339 4.320 -0.407 0.000 0.248 280 A C 1.415 179.019 177.584 0.034 0.000 1.082 280 A CA 0.522 52.437 52.037 -0.203 0.000 0.785 280 A CB 0.116 19.131 19.000 0.025 0.000 1.020 280 A HN 0.535 nan 8.150 nan 0.000 0.489 281 T N -1.182 113.557 114.554 0.309 0.000 3.001 281 T HA 0.330 4.436 4.350 -0.407 0.000 0.251 281 T C 0.506 175.409 174.700 0.338 0.000 1.040 281 T CA 0.690 62.948 62.100 0.262 0.000 0.985 281 T CB -0.944 68.040 68.868 0.193 0.000 1.011 281 T HN 1.386 nan 8.240 nan 0.000 0.509 282 V N -1.717 118.384 119.914 0.310 0.000 3.103 282 V HA 0.787 4.663 4.120 -0.407 0.000 0.318 282 V C -3.130 173.043 176.094 0.131 0.000 1.114 282 V CA -3.263 59.101 62.300 0.107 0.000 1.020 282 V CB 1.242 33.061 31.823 -0.006 0.000 1.085 282 V HN -0.138 nan 8.190 nan 0.000 0.446 283 P HA 0.305 nan 4.420 nan 0.000 0.267 283 P C -0.861 176.509 177.300 0.116 0.000 1.200 283 P CA 0.174 63.254 63.100 -0.034 0.000 0.772 283 P CB 0.237 31.798 31.700 -0.231 0.000 0.855 284 L N 3.254 124.590 121.223 0.189 0.000 2.325 284 L HA 0.550 4.646 4.340 -0.407 0.000 0.278 284 L C -0.025 177.064 176.870 0.365 0.000 1.023 284 L CA -0.682 54.282 54.840 0.207 0.000 0.811 284 L CB 1.102 43.189 42.059 0.046 0.000 1.249 284 L HN 0.228 nan 8.230 nan 0.000 0.431 285 I N 2.086 122.898 120.570 0.402 0.000 2.499 285 I HA 0.511 4.437 4.170 -0.407 0.000 0.288 285 I C -0.139 176.061 176.117 0.139 0.000 1.048 285 I CA -0.058 61.401 61.300 0.265 0.000 1.062 285 I CB 2.119 40.199 38.000 0.134 0.000 1.238 285 I HN 0.605 nan 8.210 nan 0.000 0.426 286 A N 5.411 128.027 122.820 -0.341 0.000 2.290 286 A HA 0.577 4.653 4.320 -0.407 0.000 0.310 286 A C -0.516 176.877 177.584 -0.318 0.000 1.202 286 A CA -0.326 51.285 52.037 -0.710 0.000 0.837 286 A CB 0.300 18.373 19.000 -1.546 0.000 1.139 286 A HN 0.708 nan 8.150 nan 0.000 0.509 287 H N 1.233 120.180 119.070 -0.205 0.000 2.500 287 H HA 0.450 4.762 4.556 -0.407 0.000 0.351 287 H C 0.073 175.343 175.328 -0.096 0.000 1.281 287 H CA -0.134 55.820 56.048 -0.157 0.000 1.368 287 H CB 1.112 30.749 29.762 -0.208 0.000 1.616 287 H HN 0.701 nan 8.280 nan 0.000 0.591 288 F N -0.867 119.193 119.950 0.184 0.000 2.639 288 F HA 0.400 4.683 4.527 -0.407 0.000 0.302 288 F C -2.291 173.529 175.800 0.034 0.000 1.097 288 F CA -1.583 56.441 58.000 0.039 0.000 1.294 288 F CB -0.810 38.175 39.000 -0.026 0.000 1.027 288 F HN 0.103 nan 8.300 nan 0.000 0.550 289 P HA -0.051 nan 4.420 nan 0.000 0.264 289 P C 0.294 177.700 177.300 0.176 0.000 1.183 289 P CA 0.759 63.839 63.100 -0.033 0.000 0.763 289 P CB 0.995 32.649 31.700 -0.077 0.000 0.807 290 F N 1.097 121.024 119.950 -0.038 0.000 2.464 290 F HA -0.343 3.939 4.527 -0.409 0.000 0.677 290 F C 1.763 177.449 175.800 -0.190 0.000 0.491 290 F CA 1.319 59.292 58.000 -0.045 0.000 1.058 290 F CB -1.844 37.171 39.000 0.025 0.000 1.860 290 F HN 0.207 nan 8.300 nan 0.000 0.265 291 I N 1.043 121.592 120.570 -0.035 0.000 2.182 291 I HA -0.441 3.485 4.170 -0.407 0.000 0.248 291 I C 2.586 178.239 176.117 -0.774 0.000 1.073 291 I CA 1.879 62.879 61.300 -0.500 0.000 1.335 291 I CB -0.898 37.004 38.000 -0.162 0.000 1.031 291 I HN 0.496 nan 8.210 nan 0.000 0.420 292 A N 0.734 123.324 122.820 -0.382 0.000 1.917 292 A HA -0.248 3.828 4.320 -0.407 0.000 0.219 292 A C 2.580 179.953 177.584 -0.351 0.000 1.182 292 A CA 2.121 53.973 52.037 -0.308 0.000 0.633 292 A CB -0.949 17.957 19.000 -0.156 0.000 0.819 292 A HN 0.490 nan 8.150 nan 0.000 0.448 293 A N -0.546 122.004 122.820 -0.450 0.000 1.997 293 A HA -0.072 4.004 4.320 -0.407 0.000 0.221 293 A C 1.728 179.226 177.584 -0.144 0.000 1.172 293 A CA 1.881 53.703 52.037 -0.358 0.000 0.645 293 A CB -0.776 17.858 19.000 -0.610 0.000 0.813 293 A HN 1.248 nan 8.150 nan 0.000 0.454 294 F N -1.838 118.063 119.950 -0.082 0.000 2.706 294 F HA 0.339 4.623 4.527 -0.404 0.000 0.313 294 F C 1.459 177.273 175.800 0.022 0.000 1.096 294 F CA 0.447 58.447 58.000 0.000 0.000 1.219 294 F CB -0.390 38.629 39.000 0.031 0.000 1.051 294 F HN 0.112 nan 8.300 nan 0.000 0.568 295 S N -0.601 115.045 115.700 -0.090 0.000 2.540 295 S HA 0.185 4.411 4.470 -0.407 0.000 0.222 295 S C 1.852 176.411 174.600 -0.068 0.000 1.008 295 S CA -0.064 58.122 58.200 -0.023 0.000 0.939 295 S CB -0.197 62.932 63.200 -0.117 0.000 0.865 295 S HN 0.417 nan 8.310 nan 0.000 0.499 296 R N 0.921 121.376 120.500 -0.075 0.000 2.055 296 R HA 0.195 4.291 4.340 -0.407 0.000 0.228 296 R C 0.500 176.780 176.300 -0.033 0.000 1.143 296 R CA 0.616 56.672 56.100 -0.074 0.000 0.945 296 R CB -0.359 29.897 30.300 -0.074 0.000 0.841 296 R HN 0.307 nan 8.270 nan 0.000 0.429 297 L N 1.806 123.041 121.223 0.021 0.000 2.540 297 L HA -0.026 4.070 4.340 -0.407 0.000 0.276 297 L C 1.329 178.237 176.870 0.063 0.000 1.212 297 L CA 0.513 55.386 54.840 0.055 0.000 0.893 297 L CB 1.005 43.128 42.059 0.107 0.000 1.138 297 L HN 0.481 nan 8.230 nan 0.000 0.491 298 A N 4.166 127.014 122.820 0.047 0.000 2.066 298 A HA -0.122 3.954 4.320 -0.407 0.000 0.218 298 A C 1.516 179.153 177.584 0.089 0.000 1.157 298 A CA 1.189 53.252 52.037 0.043 0.000 0.670 298 A CB -0.337 18.687 19.000 0.040 0.000 0.804 298 A HN 0.905 nan 8.150 nan 0.000 0.453 299 N N -2.472 116.305 118.700 0.128 0.000 2.236 299 N HA 0.074 4.571 4.740 -0.407 0.000 0.196 299 N C -0.400 175.273 175.510 0.272 0.000 1.114 299 N CA 0.029 53.181 53.050 0.170 0.000 0.859 299 N CB 0.103 38.681 38.487 0.151 0.000 0.982 299 N HN 0.429 nan 8.380 nan 0.000 0.493 300 Y N -0.388 119.977 120.300 0.109 0.000 2.519 300 Y HA 0.488 4.795 4.550 -0.403 0.000 0.336 300 Y C 0.409 176.420 175.900 0.185 0.000 1.089 300 Y CA 0.453 58.642 58.100 0.148 0.000 1.025 300 Y CB 1.405 39.927 38.460 0.104 0.000 1.318 300 Y HN 0.282 nan 8.280 nan 0.000 0.452 301 G N 3.528 112.116 108.800 -0.353 0.000 2.464 301 G HA2 -0.111 3.605 3.960 -0.407 0.000 0.216 301 G HA3 -0.111 3.605 3.960 -0.407 0.000 0.216 301 G C -1.681 173.297 174.900 0.129 0.000 1.186 301 G CA -0.384 44.671 45.100 -0.076 0.000 1.010 301 G HN 0.780 nan 8.290 nan 0.000 0.585 302 I N 0.888 121.601 120.570 0.238 0.000 2.466 302 I HA 0.346 4.272 4.170 -0.407 0.000 0.289 302 I C 0.223 176.509 176.117 0.283 0.000 1.026 302 I CA -0.977 60.468 61.300 0.242 0.000 1.078 302 I CB 1.907 40.037 38.000 0.218 0.000 1.249 302 I HN 0.672 nan 8.210 nan 0.000 0.429 303 H N 4.887 124.013 119.070 0.094 0.000 2.964 303 H HA 0.018 4.328 4.556 -0.410 0.000 0.328 303 H C 1.155 176.522 175.328 0.064 0.000 1.030 303 H CA 0.340 56.418 56.048 0.051 0.000 1.445 303 H CB 1.307 31.071 29.762 0.004 0.000 1.449 303 H HN 0.774 nan 8.280 nan 0.000 0.581 304 S N 4.915 120.846 115.700 0.385 0.000 2.442 304 S HA -0.183 4.043 4.470 -0.407 0.000 0.236 304 S C 2.085 176.793 174.600 0.181 0.000 1.007 304 S CA 0.925 59.254 58.200 0.215 0.000 0.965 304 S CB -0.091 63.128 63.200 0.031 0.000 0.773 304 S HN 0.767 nan 8.310 nan 0.000 0.504 305 R N 1.622 122.238 120.500 0.194 0.000 2.091 305 R HA -0.099 3.997 4.340 -0.407 0.000 0.238 305 R C 1.899 178.160 176.300 -0.064 0.000 1.136 305 R CA 1.884 57.912 56.100 -0.119 0.000 0.959 305 R CB -0.974 28.992 30.300 -0.557 0.000 0.856 305 R HN 0.396 nan 8.270 nan 0.000 0.437 306 V N 1.638 121.529 119.914 -0.038 0.000 2.324 306 V HA -0.304 3.572 4.120 -0.407 0.000 0.250 306 V C 2.685 178.827 176.094 0.080 0.000 1.060 306 V CA 1.886 64.192 62.300 0.011 0.000 1.042 306 V CB -0.454 31.382 31.823 0.022 0.000 0.650 306 V HN 0.342 nan 8.190 nan 0.000 0.450 307 M N -0.159 119.518 119.600 0.129 0.000 2.086 307 M HA -0.149 4.087 4.480 -0.407 0.000 0.261 307 M C 2.333 178.691 176.300 0.097 0.000 1.067 307 M CA 2.196 57.588 55.300 0.152 0.000 1.116 307 M CB -1.851 30.873 32.600 0.206 0.000 1.348 307 M HN 0.437 nan 8.290 nan 0.000 0.407 308 T N 0.456 115.046 114.554 0.059 0.000 2.684 308 T HA -0.155 3.951 4.350 -0.407 0.000 0.267 308 T C 2.010 176.739 174.700 0.048 0.000 1.036 308 T CA 1.097 63.216 62.100 0.031 0.000 1.148 308 T CB -0.192 68.676 68.868 0.000 0.000 0.863 308 T HN 0.262 nan 8.240 nan 0.000 0.436 309 R N 0.846 121.380 120.500 0.056 0.000 2.094 309 R HA -0.035 4.061 4.340 -0.407 0.000 0.239 309 R C 2.541 178.881 176.300 0.066 0.000 1.137 309 R CA 1.269 57.421 56.100 0.087 0.000 0.943 309 R CB -1.157 29.235 30.300 0.153 0.000 0.850 309 R HN 0.422 nan 8.270 nan 0.000 0.433 310 L N 0.725 121.995 121.223 0.078 0.000 2.046 310 L HA -0.200 3.896 4.340 -0.407 0.000 0.208 310 L C 2.703 179.603 176.870 0.050 0.000 1.077 310 L CA 1.369 56.227 54.840 0.029 0.000 0.747 310 L CB -0.483 41.618 42.059 0.070 0.000 0.896 310 L HN 0.238 nan 8.230 nan 0.000 0.432 311 Q N -0.369 119.503 119.800 0.120 0.000 2.096 311 Q HA -0.259 3.837 4.340 -0.407 0.000 0.204 311 Q C 2.334 178.505 176.000 0.284 0.000 0.982 311 Q CA 1.711 57.666 55.803 0.255 0.000 0.850 311 Q CB -0.147 28.669 28.738 0.130 0.000 0.901 311 Q HN 0.348 nan 8.270 nan 0.000 0.422 312 R N 0.499 121.084 120.500 0.141 0.000 2.070 312 R HA -0.135 3.961 4.340 -0.407 0.000 0.233 312 R C 2.231 178.544 176.300 0.021 0.000 1.137 312 R CA 1.087 57.247 56.100 0.100 0.000 0.945 312 R CB -0.380 29.955 30.300 0.058 0.000 0.845 312 R HN 0.282 nan 8.270 nan 0.000 0.430 313 L N 0.498 121.675 121.223 -0.076 0.000 2.079 313 L HA -0.170 3.926 4.340 -0.407 0.000 0.210 313 L C 2.368 179.134 176.870 -0.173 0.000 1.081 313 L CA 1.880 56.571 54.840 -0.248 0.000 0.752 313 L CB -0.640 41.104 42.059 -0.526 0.000 0.896 313 L HN 0.452 nan 8.230 nan 0.000 0.433 314 A N -1.305 121.468 122.820 -0.078 0.000 1.969 314 A HA 0.042 4.119 4.320 -0.407 0.000 0.218 314 A C 1.745 179.280 177.584 -0.082 0.000 1.169 314 A CA 1.619 53.635 52.037 -0.035 0.000 0.635 314 A CB -0.294 18.719 19.000 0.021 0.000 0.810 314 A HN 0.604 nan 8.150 nan 0.000 0.445 315 G N -3.203 105.543 108.800 -0.091 0.000 2.870 315 G HA2 0.001 3.717 3.960 -0.407 0.000 0.216 315 G HA3 0.001 3.717 3.960 -0.407 0.000 0.216 315 G C -0.020 174.790 174.900 -0.150 0.000 0.973 315 G CA -0.417 44.601 45.100 -0.136 0.000 0.807 315 G HN 0.202 nan 8.290 nan 0.000 0.573 316 F N 2.166 122.141 119.950 0.042 0.000 2.529 316 F HA 0.282 4.565 4.527 -0.408 0.000 0.365 316 F C 1.351 177.193 175.800 0.070 0.000 1.102 316 F CA 0.345 58.379 58.000 0.057 0.000 1.271 316 F CB 0.827 39.853 39.000 0.043 0.000 1.120 316 F HN -0.018 nan 8.300 nan 0.000 0.579 317 D N 1.664 122.241 120.400 0.294 0.000 2.346 317 D HA 0.076 4.472 4.640 -0.407 0.000 0.206 317 D C -0.133 176.281 176.300 0.189 0.000 1.001 317 D CA 0.875 55.012 54.000 0.229 0.000 0.871 317 D CB 0.756 41.710 40.800 0.257 0.000 0.943 317 D HN 0.075 nan 8.370 nan 0.000 0.518 318 V N 1.209 121.241 119.914 0.196 0.000 2.733 318 V HA 0.241 4.117 4.120 -0.407 0.000 0.306 318 V C -0.523 175.579 176.094 0.014 0.000 1.084 318 V CA -0.827 61.534 62.300 0.102 0.000 0.905 318 V CB 3.026 34.916 31.823 0.112 0.000 1.010 318 V HN -0.275 nan 8.190 nan 0.000 0.424 319 V N 5.726 125.610 119.914 -0.051 0.000 2.350 319 V HA 0.486 4.362 4.120 -0.407 0.000 0.285 319 V C -0.098 175.894 176.094 -0.170 0.000 1.014 319 V CA -0.408 61.809 62.300 -0.138 0.000 0.831 319 V CB 1.565 33.333 31.823 -0.093 0.000 1.000 319 V HN 0.704 nan 8.190 nan 0.000 0.433 320 I N 6.989 127.422 120.570 -0.230 0.000 2.379 320 I HA 0.316 4.242 4.170 -0.407 0.000 0.290 320 I C 0.531 176.614 176.117 -0.056 0.000 1.063 320 I CA 0.306 61.475 61.300 -0.218 0.000 1.351 320 I CB 0.467 38.195 38.000 -0.453 0.000 1.410 320 I HN 0.655 nan 8.210 nan 0.000 0.505 321 M N 7.140 126.613 119.600 -0.211 0.000 2.811 321 M HA 0.716 4.952 4.480 -0.407 0.000 0.303 321 M C -2.832 172.960 176.300 -0.846 0.000 1.227 321 M CA -2.210 52.823 55.300 -0.445 0.000 0.874 321 M CB 1.258 33.665 32.600 -0.322 0.000 1.681 321 M HN 0.001 nan 8.290 nan 0.000 0.500 322 P HA 0.274 nan 4.420 nan 0.000 0.276 322 P C -0.410 176.547 177.300 -0.572 0.000 1.230 322 P CA 0.061 62.622 63.100 -0.899 0.000 0.776 322 P CB 0.864 32.124 31.700 -0.733 0.000 0.888 323 G N 1.713 110.237 108.800 -0.460 0.000 2.849 323 G HA2 0.554 4.271 3.960 -0.407 0.000 0.174 323 G HA3 0.554 4.271 3.960 -0.407 0.000 0.174 323 G C -0.694 173.855 174.900 -0.585 0.000 1.370 323 G CA -0.567 44.191 45.100 -0.571 0.000 1.040 323 G HN 0.335 nan 8.290 nan 0.000 0.582 324 F N -0.473 119.449 119.950 -0.047 0.000 2.362 324 F HA 0.673 4.956 4.527 -0.406 0.000 0.340 324 F C 0.948 176.744 175.800 -0.007 0.000 1.088 324 F CA 0.096 58.081 58.000 -0.025 0.000 1.096 324 F CB 0.384 39.378 39.000 -0.010 0.000 1.486 324 F HN 0.962 nan 8.300 nan 0.000 0.500 325 G N 0.230 109.169 108.800 0.233 0.000 2.719 325 G HA2 -0.054 3.662 3.960 -0.407 0.000 0.686 325 G HA3 -0.054 3.662 3.960 -0.407 0.000 0.686 325 G C -2.476 172.473 174.900 0.081 0.000 1.201 325 G CA -0.689 44.486 45.100 0.126 0.000 0.768 325 G HN 0.477 nan 8.290 nan 0.000 0.629 326 P HA 0.008 nan 4.420 nan 0.000 0.230 326 P C 1.565 178.881 177.300 0.027 0.000 1.168 326 P CA 0.343 63.469 63.100 0.043 0.000 0.793 326 P CB 0.131 31.856 31.700 0.041 0.000 0.851 327 R N -0.117 120.402 120.500 0.031 0.000 2.303 327 R HA -0.015 4.081 4.340 -0.407 0.000 0.225 327 R C 1.207 177.513 176.300 0.011 0.000 1.114 327 R CA 0.893 57.008 56.100 0.024 0.000 1.007 327 R CB -0.349 29.970 30.300 0.032 0.000 0.861 327 R HN 0.149 nan 8.270 nan 0.000 0.471 328 M N -0.751 118.847 119.600 -0.002 0.000 2.382 328 M HA 0.137 4.373 4.480 -0.407 0.000 0.247 328 M C 0.602 176.869 176.300 -0.055 0.000 1.104 328 M CA -0.019 55.259 55.300 -0.037 0.000 1.030 328 M CB -0.091 32.463 32.600 -0.077 0.000 1.424 328 M HN 0.026 nan 8.290 nan 0.000 0.486 329 M N 0.897 120.478 119.600 -0.032 0.000 2.436 329 M HA -0.210 4.026 4.480 -0.407 0.000 0.197 329 M C -0.796 175.467 176.300 -0.061 0.000 0.442 329 M CA 0.783 56.062 55.300 -0.035 0.000 0.473 329 M CB -1.924 30.658 32.600 -0.030 0.000 1.685 329 M HN 0.097 nan 8.290 nan 0.000 0.835 330 T N -0.726 113.780 114.554 -0.079 0.000 2.841 330 T HA 0.557 4.663 4.350 -0.407 0.000 0.285 330 T C -2.297 172.354 174.700 -0.082 0.000 0.991 330 T CA -1.320 60.711 62.100 -0.114 0.000 0.966 330 T CB 1.707 70.462 68.868 -0.188 0.000 0.962 330 T HN -0.100 nan 8.240 nan 0.000 0.438 331 P HA 0.088 nan 4.420 nan 0.000 0.261 331 P C 0.953 178.251 177.300 -0.003 0.000 1.173 331 P CA 0.107 63.205 63.100 -0.003 0.000 0.760 331 P CB 0.688 32.385 31.700 -0.005 0.000 0.783 332 E N 3.013 123.285 120.200 0.121 0.000 2.055 332 E HA -0.323 3.783 4.350 -0.407 0.000 0.209 332 E C 1.812 178.510 176.600 0.164 0.000 1.036 332 E CA 2.042 58.557 56.400 0.192 0.000 0.849 332 E CB -0.450 29.369 29.700 0.197 0.000 0.767 332 E HN 0.653 nan 8.360 nan 0.000 0.461 333 H N -0.602 118.511 119.070 0.071 0.000 2.457 333 H HA -0.036 4.275 4.556 -0.408 0.000 0.294 333 H C 1.963 177.330 175.328 0.066 0.000 1.064 333 H CA 1.614 57.702 56.048 0.066 0.000 1.330 333 H CB -0.345 29.446 29.762 0.049 0.000 1.395 333 H HN 0.277 nan 8.280 nan 0.000 0.541 334 E N 1.113 120.888 120.200 -0.710 0.000 2.051 334 E HA -0.099 4.007 4.350 -0.407 0.000 0.192 334 E C 2.525 179.025 176.600 -0.166 0.000 0.991 334 E CA 1.695 57.828 56.400 -0.445 0.000 0.799 334 E CB -0.033 29.382 29.700 -0.475 0.000 0.748 334 E HN 0.275 nan 8.360 nan 0.000 0.449 335 V N 0.739 120.542 119.914 -0.184 0.000 2.287 335 V HA -0.289 3.587 4.120 -0.407 0.000 0.248 335 V C 2.387 178.412 176.094 -0.115 0.000 1.053 335 V CA 1.794 63.961 62.300 -0.223 0.000 1.027 335 V CB -0.555 31.003 31.823 -0.441 0.000 0.646 335 V HN 0.315 nan 8.190 nan 0.000 0.447 336 L N -0.147 121.077 121.223 0.001 0.000 2.083 336 L HA -0.192 3.904 4.340 -0.407 0.000 0.209 336 L C 2.350 179.234 176.870 0.023 0.000 1.083 336 L CA 1.488 56.363 54.840 0.058 0.000 0.752 336 L CB -0.775 41.352 42.059 0.113 0.000 0.899 336 L HN 0.330 nan 8.230 nan 0.000 0.433 337 D N -0.745 119.663 120.400 0.013 0.000 2.182 337 D HA -0.174 4.222 4.640 -0.407 0.000 0.201 337 D C 2.206 178.484 176.300 -0.037 0.000 0.986 337 D CA 1.176 55.173 54.000 -0.006 0.000 0.847 337 D CB -0.216 40.583 40.800 -0.002 0.000 0.942 337 D HN 0.389 nan 8.370 nan 0.000 0.467 338 C N -0.004 119.275 119.300 -0.034 0.000 2.500 338 C HA 0.070 4.287 4.460 -0.407 0.000 0.279 338 C C 2.807 177.777 174.990 -0.033 0.000 1.288 338 C CA -0.301 58.689 59.018 -0.046 0.000 1.710 338 C CB -0.788 26.908 27.740 -0.073 0.000 2.052 338 C HN 0.297 nan 8.230 nan 0.000 0.488 339 I N 0.894 121.447 120.570 -0.029 0.000 2.151 339 I HA -0.247 3.679 4.170 -0.407 0.000 0.243 339 I C 2.663 178.791 176.117 0.019 0.000 1.080 339 I CA 1.410 62.712 61.300 0.003 0.000 1.339 339 I CB -0.514 37.499 38.000 0.022 0.000 1.039 339 I HN 0.240 nan 8.210 nan 0.000 0.409 340 R N 1.013 121.522 120.500 0.014 0.000 2.096 340 R HA -0.159 3.937 4.340 -0.407 0.000 0.240 340 R C 2.379 178.685 176.300 0.010 0.000 1.139 340 R CA 1.786 57.895 56.100 0.015 0.000 0.952 340 R CB -1.445 28.860 30.300 0.009 0.000 0.854 340 R HN 0.455 nan 8.270 nan 0.000 0.436 341 A N 0.222 123.038 122.820 -0.005 0.000 1.940 341 A HA -0.208 3.868 4.320 -0.407 0.000 0.219 341 A C 2.685 180.280 177.584 0.019 0.000 1.176 341 A CA 1.816 53.851 52.037 -0.003 0.000 0.631 341 A CB -0.940 18.047 19.000 -0.022 0.000 0.814 341 A HN 0.432 nan 8.150 nan 0.000 0.446 342 C N -1.315 117.997 119.300 0.021 0.000 2.457 342 C HA 0.084 4.300 4.460 -0.407 0.000 0.278 342 C C 2.566 177.583 174.990 0.046 0.000 1.309 342 C CA 1.052 60.091 59.018 0.035 0.000 1.735 342 C CB -1.203 26.558 27.740 0.035 0.000 1.992 342 C HN 0.626 nan 8.230 nan 0.000 0.493 343 L N -0.682 120.568 121.223 0.045 0.000 2.357 343 L HA 0.125 4.221 4.340 -0.407 0.000 0.211 343 L C 1.005 177.902 176.870 0.046 0.000 1.075 343 L CA 0.241 55.112 54.840 0.052 0.000 0.830 343 L CB -0.503 41.591 42.059 0.058 0.000 0.996 343 L HN 0.262 nan 8.230 nan 0.000 0.467 344 E N 1.511 121.734 120.200 0.038 0.000 2.604 344 E HA -0.067 4.039 4.350 -0.407 0.000 0.267 344 E C -2.125 174.499 176.600 0.041 0.000 0.970 344 E CA -1.183 55.238 56.400 0.036 0.000 0.956 344 E CB 0.210 29.928 29.700 0.030 0.000 0.939 344 E HN -0.012 nan 8.360 nan 0.000 0.465 345 P HA -0.036 nan 4.420 nan 0.000 0.267 345 P C -0.590 176.739 177.300 0.049 0.000 1.205 345 P CA 0.651 63.776 63.100 0.042 0.000 0.765 345 P CB 0.420 32.143 31.700 0.038 0.000 0.828 346 M N 3.101 122.732 119.600 0.052 0.000 3.269 346 M HA 0.306 4.542 4.480 -0.407 0.000 0.340 346 M C 0.500 176.838 176.300 0.063 0.000 1.662 346 M CA 0.054 55.394 55.300 0.066 0.000 0.547 346 M CB 0.027 32.667 32.600 0.067 0.000 1.449 346 M HN 0.659 nan 8.290 nan 0.000 0.459 347 G N 2.889 111.726 108.800 0.062 0.000 2.614 347 G HA2 -0.268 3.448 3.960 -0.407 0.000 0.303 347 G HA3 -0.268 3.448 3.960 -0.407 0.000 0.303 347 G C -1.891 173.033 174.900 0.040 0.000 1.270 347 G CA 0.207 45.341 45.100 0.056 0.000 0.988 347 G HN 0.478 nan 8.290 nan 0.000 0.551 348 P HA 0.232 nan 4.420 nan 0.000 0.245 348 P C 0.489 177.797 177.300 0.014 0.000 1.212 348 P CA 0.273 63.385 63.100 0.020 0.000 0.774 348 P CB 0.052 31.761 31.700 0.014 0.000 0.999 349 I N 1.128 121.708 120.570 0.017 0.000 2.416 349 I HA 0.144 4.070 4.170 -0.407 0.000 0.288 349 I C 1.043 177.171 176.117 0.019 0.000 1.051 349 I CA -1.009 60.295 61.300 0.008 0.000 1.375 349 I CB 0.171 38.166 38.000 -0.010 0.000 1.407 349 I HN -0.133 nan 8.210 nan 0.000 0.516 350 K N 7.568 127.979 120.400 0.019 0.000 2.414 350 K HA 0.158 4.234 4.320 -0.407 0.000 0.272 350 K C -2.182 174.445 176.600 0.045 0.000 0.993 350 K CA -1.186 55.121 56.287 0.033 0.000 0.964 350 K CB 0.127 32.648 32.500 0.035 0.000 0.925 350 K HN 0.373 nan 8.250 nan 0.000 0.487 351 P HA 0.020 nan 4.420 nan 0.000 0.276 351 P C -0.135 177.209 177.300 0.073 0.000 1.235 351 P CA -0.453 62.683 63.100 0.059 0.000 0.772 351 P CB 0.265 32.001 31.700 0.059 0.000 0.871 352 C N 3.716 123.062 119.300 0.076 0.000 2.335 352 C HA 0.662 4.878 4.460 -0.407 0.000 0.363 352 C C 0.276 175.316 174.990 0.082 0.000 1.198 352 C CA -1.264 57.810 59.018 0.092 0.000 2.279 352 C CB -0.180 27.625 27.740 0.108 0.000 2.334 352 C HN 0.541 nan 8.230 nan 0.000 0.559 353 L N 4.002 125.278 121.223 0.089 0.000 2.315 353 L HA 0.508 4.604 4.340 -0.407 0.000 0.283 353 L C -2.016 174.891 176.870 0.063 0.000 1.089 353 L CA -1.448 53.442 54.840 0.084 0.000 0.833 353 L CB 0.494 42.611 42.059 0.097 0.000 1.170 353 L HN 0.640 nan 8.230 nan 0.000 0.442 354 P HA 0.174 nan 4.420 nan 0.000 0.284 354 P C -1.324 176.008 177.300 0.052 0.000 1.253 354 P CA -0.251 62.872 63.100 0.038 0.000 0.800 354 P CB 1.566 33.297 31.700 0.052 0.000 0.961 355 V N 4.544 124.432 119.914 -0.043 0.000 2.380 355 V HA 0.236 4.112 4.120 -0.407 0.000 0.272 355 V C -2.442 173.591 176.094 -0.102 0.000 1.011 355 V CA -1.958 60.301 62.300 -0.068 0.000 0.826 355 V CB 1.362 32.997 31.823 -0.313 0.000 1.040 355 V HN 0.435 nan 8.190 nan 0.000 0.441 356 P HA 0.178 nan 4.420 nan 0.000 0.265 356 P C 0.854 178.087 177.300 -0.112 0.000 1.222 356 P CA 0.701 63.706 63.100 -0.157 0.000 0.767 356 P CB 0.962 32.575 31.700 -0.145 0.000 0.801 357 G N 2.895 111.593 108.800 -0.169 0.000 2.522 357 G HA2 0.464 4.180 3.960 -0.407 0.000 0.223 357 G HA3 0.464 4.180 3.960 -0.407 0.000 0.223 357 G C 0.267 175.125 174.900 -0.069 0.000 1.565 357 G CA 0.097 45.157 45.100 -0.066 0.000 1.053 357 G HN 0.825 nan 8.290 nan 0.000 0.547 358 G N -2.464 106.322 108.800 -0.023 0.000 2.690 358 G HA2 0.242 3.958 3.960 -0.407 0.000 0.686 358 G HA3 0.242 3.958 3.960 -0.407 0.000 0.686 358 G C -0.006 174.884 174.900 -0.016 0.000 1.277 358 G CA 0.122 45.218 45.100 -0.007 0.000 0.799 358 G HN 1.654 nan 8.290 nan 0.000 0.613 359 S N 1.408 117.106 115.700 -0.002 0.000 3.065 359 S HA 0.446 4.672 4.470 -0.407 0.000 0.311 359 S C -0.176 174.389 174.600 -0.059 0.000 1.204 359 S CA -0.468 57.714 58.200 -0.031 0.000 1.040 359 S CB 0.727 63.924 63.200 -0.005 0.000 1.436 359 S HN 0.584 nan 8.310 nan 0.000 0.532 360 D N 2.430 122.748 120.400 -0.136 0.000 2.225 360 D HA 0.588 4.984 4.640 -0.407 0.000 0.249 360 D C 0.397 176.588 176.300 -0.182 0.000 1.052 360 D CA -0.048 53.862 54.000 -0.149 0.000 0.909 360 D CB 1.926 42.424 40.800 -0.503 0.000 1.186 360 D HN 0.609 nan 8.370 nan 0.000 0.431 361 S N -0.910 114.790 115.700 0.000 0.000 2.776 361 S HA 0.599 4.825 4.470 -0.407 0.000 0.292 361 S C 0.921 175.660 174.600 0.231 0.000 1.187 361 S CA -0.368 57.798 58.200 -0.057 0.000 0.834 361 S CB 1.161 64.130 63.200 -0.385 0.000 1.199 361 S HN 0.287 nan 8.310 nan 0.000 0.514 362 A N 0.426 123.359 122.820 0.189 0.000 2.032 362 A HA 0.146 4.222 4.320 -0.407 0.000 0.221 362 A C 2.193 179.895 177.584 0.196 0.000 1.165 362 A CA 2.175 54.331 52.037 0.198 0.000 0.645 362 A CB -1.596 17.515 19.000 0.186 0.000 0.807 362 A HN 1.431 nan 8.150 nan 0.000 0.453 363 A N -0.703 122.246 122.820 0.215 0.000 1.968 363 A HA -0.004 4.072 4.320 -0.407 0.000 0.217 363 A C 2.313 180.005 177.584 0.180 0.000 1.169 363 A CA 2.128 54.278 52.037 0.189 0.000 0.638 363 A CB -0.902 18.222 19.000 0.207 0.000 0.812 363 A HN 0.806 nan 8.150 nan 0.000 0.446 364 T N -2.978 111.716 114.554 0.235 0.000 3.081 364 T HA 0.101 4.207 4.350 -0.407 0.000 0.250 364 T C 1.614 176.479 174.700 0.276 0.000 1.100 364 T CA 0.768 63.018 62.100 0.249 0.000 1.038 364 T CB -0.233 68.797 68.868 0.270 0.000 0.962 364 T HN 0.126 nan 8.240 nan 0.000 0.516 365 L N 1.853 123.214 121.223 0.230 0.000 1.989 365 L HA 0.015 4.111 4.340 -0.407 0.000 0.211 365 L C 2.560 179.493 176.870 0.106 0.000 1.071 365 L CA 2.272 57.093 54.840 -0.032 0.000 0.749 365 L CB -0.864 41.071 42.059 -0.206 0.000 0.890 365 L HN 0.410 nan 8.230 nan 0.000 0.431 366 E N -0.620 119.651 120.200 0.119 0.000 2.086 366 E HA -0.329 3.777 4.350 -0.407 0.000 0.200 366 E C 2.150 178.833 176.600 0.139 0.000 1.012 366 E CA 1.796 58.277 56.400 0.135 0.000 0.812 366 E CB -0.346 29.405 29.700 0.085 0.000 0.743 366 E HN 0.659 nan 8.360 nan 0.000 0.453 367 N N -0.120 118.630 118.700 0.084 0.000 2.058 367 N HA -0.159 4.337 4.740 -0.407 0.000 0.191 367 N C 1.976 177.431 175.510 -0.092 0.000 1.037 367 N CA 1.764 54.812 53.050 -0.003 0.000 0.848 367 N CB -0.000 38.484 38.487 -0.005 0.000 1.021 367 N HN 0.081 nan 8.380 nan 0.000 0.422 368 V N 0.881 120.783 119.914 -0.020 0.000 2.332 368 V HA -0.238 3.638 4.120 -0.407 0.000 0.248 368 V C 2.179 178.114 176.094 -0.264 0.000 1.055 368 V CA 1.792 64.017 62.300 -0.126 0.000 1.038 368 V CB -0.957 30.959 31.823 0.155 0.000 0.651 368 V HN 0.409 nan 8.190 nan 0.000 0.450 369 Y N 1.033 121.247 120.300 -0.143 0.000 2.200 369 Y HA -0.161 4.146 4.550 -0.406 0.000 0.290 369 Y C 2.716 178.590 175.900 -0.044 0.000 1.137 369 Y CA 1.569 59.662 58.100 -0.011 0.000 1.163 369 Y CB -0.268 38.387 38.460 0.326 0.000 0.988 369 Y HN 0.039 nan 8.280 nan 0.000 0.518 370 R N 0.245 120.666 120.500 -0.132 0.000 2.083 370 R HA -0.179 3.917 4.340 -0.407 0.000 0.237 370 R C 2.243 178.371 176.300 -0.286 0.000 1.137 370 R CA 1.982 57.947 56.100 -0.225 0.000 0.951 370 R CB -0.253 29.988 30.300 -0.098 0.000 0.851 370 R HN 0.266 nan 8.270 nan 0.000 0.434 371 K N -0.133 120.064 120.400 -0.338 0.000 2.155 371 K HA -0.029 4.047 4.320 -0.407 0.000 0.203 371 K C 1.884 178.318 176.600 -0.277 0.000 1.052 371 K CA 0.570 56.619 56.287 -0.396 0.000 0.948 371 K CB 0.219 32.236 32.500 -0.805 0.000 0.728 371 K HN -0.035 nan 8.250 nan 0.000 0.448 372 V N -0.559 119.173 119.914 -0.302 0.000 2.719 372 V HA -0.024 3.852 4.120 -0.407 0.000 0.252 372 V C 1.536 177.537 176.094 -0.155 0.000 1.065 372 V CA 1.592 63.771 62.300 -0.201 0.000 1.086 372 V CB -0.176 31.419 31.823 -0.379 0.000 0.700 372 V HN 0.646 nan 8.190 nan 0.000 0.467 373 G N 0.622 109.267 108.800 -0.259 0.000 2.225 373 G HA2 -0.261 3.455 3.960 -0.407 0.000 0.254 373 G HA3 -0.261 3.455 3.960 -0.407 0.000 0.254 373 G C 0.368 175.151 174.900 -0.194 0.000 0.988 373 G CA 0.900 45.867 45.100 -0.221 0.000 0.625 373 G HN 1.225 nan 8.290 nan 0.000 0.527 374 S N -2.182 113.455 115.700 -0.105 0.000 2.661 374 S HA 0.786 5.012 4.470 -0.407 0.000 0.268 374 S C 0.648 175.518 174.600 0.450 0.000 1.162 374 S CA 0.451 58.726 58.200 0.124 0.000 0.817 374 S CB 1.037 64.318 63.200 0.135 0.000 1.141 374 S HN 1.746 nan 8.310 nan 0.000 0.477 375 A N -0.246 122.862 122.820 0.481 0.000 2.278 375 A HA 0.308 4.384 4.320 -0.407 0.000 0.212 375 A C 0.122 177.760 177.584 0.090 0.000 1.213 375 A CA 0.199 52.451 52.037 0.357 0.000 0.840 375 A CB -0.727 18.398 19.000 0.207 0.000 0.866 375 A HN 0.642 nan 8.150 nan 0.000 0.489 376 D N 0.948 121.491 120.400 0.238 0.000 2.619 376 D HA 0.447 4.843 4.640 -0.407 0.000 0.224 376 D C -0.561 175.897 176.300 0.263 0.000 1.133 376 D CA 0.395 54.483 54.000 0.146 0.000 1.017 376 D CB -0.563 40.319 40.800 0.137 0.000 1.077 376 D HN 0.483 nan 8.370 nan 0.000 0.503 377 F N -2.077 117.878 119.950 0.008 0.000 2.713 377 F HA 0.703 4.986 4.527 -0.406 0.000 0.311 377 F C 0.068 175.894 175.800 0.043 0.000 1.141 377 F CA -1.492 56.533 58.000 0.042 0.000 0.939 377 F CB 0.763 39.819 39.000 0.092 0.000 1.325 377 F HN -0.051 nan 8.300 nan 0.000 0.453 378 G N 0.330 109.270 108.800 0.233 0.000 2.462 378 G HA2 0.591 4.307 3.960 -0.407 0.000 0.319 378 G HA3 0.591 4.307 3.960 -0.407 0.000 0.319 378 G C -2.407 172.769 174.900 0.461 0.000 1.171 378 G CA -0.673 44.588 45.100 0.268 0.000 0.920 378 G HN 0.747 nan 8.290 nan 0.000 0.499 379 F N 0.956 121.081 119.950 0.291 0.000 2.585 379 F HA 0.477 4.760 4.527 -0.407 0.000 0.319 379 F C -0.568 175.420 175.800 0.314 0.000 1.165 379 F CA -1.107 57.091 58.000 0.331 0.000 0.949 379 F CB 2.284 41.521 39.000 0.396 0.000 1.218 379 F HN 0.312 nan 8.300 nan 0.000 0.453 380 V N 6.070 125.856 119.914 -0.214 0.000 2.266 380 V HA 0.393 4.269 4.120 -0.407 0.000 0.266 380 V C -2.505 173.460 176.094 -0.215 0.000 1.036 380 V CA -1.621 60.615 62.300 -0.106 0.000 0.828 380 V CB 0.186 31.950 31.823 -0.097 0.000 1.081 380 V HN 0.530 nan 8.190 nan 0.000 0.449 381 P HA 0.428 nan 4.420 nan 0.000 0.274 381 P C 0.726 178.026 177.300 -0.001 0.000 1.231 381 P CA 0.262 63.256 63.100 -0.177 0.000 0.790 381 P CB 1.762 33.366 31.700 -0.160 0.000 0.951 382 G N 1.526 110.330 108.800 0.007 0.000 2.508 382 G HA2 0.125 3.841 3.960 -0.407 0.000 0.217 382 G HA3 0.125 3.841 3.960 -0.407 0.000 0.217 382 G C 0.084 175.079 174.900 0.159 0.000 2.004 382 G CA -0.201 44.968 45.100 0.114 0.000 0.750 382 G HN 0.325 nan 8.290 nan 0.000 0.730 383 R N 0.368 120.912 120.500 0.074 0.000 2.734 383 R HA 0.390 4.486 4.340 -0.407 0.000 0.266 383 R C 1.182 177.388 176.300 -0.157 0.000 1.044 383 R CA 1.136 57.272 56.100 0.061 0.000 1.128 383 R CB 0.556 30.911 30.300 0.091 0.000 1.010 383 R HN 0.777 nan 8.270 nan 0.000 0.461 384 G N 0.037 108.701 108.800 -0.226 0.000 2.279 384 G HA2 -0.277 3.439 3.960 -0.407 0.000 0.223 384 G HA3 -0.277 3.439 3.960 -0.407 0.000 0.223 384 G C 0.518 175.342 174.900 -0.126 0.000 1.015 384 G CA 0.215 44.961 45.100 -0.590 0.000 0.621 384 G HN 0.435 nan 8.290 nan 0.000 0.506 385 V N -0.132 119.717 119.914 -0.108 0.000 2.735 385 V HA 0.360 4.236 4.120 -0.407 0.000 0.234 385 V C 1.982 177.904 176.094 -0.286 0.000 1.121 385 V CA 1.714 63.858 62.300 -0.260 0.000 1.160 385 V CB -0.626 30.907 31.823 -0.484 0.000 0.908 385 V HN 0.202 nan 8.190 nan 0.000 0.495 386 F N 1.618 121.584 119.950 0.026 0.000 2.558 386 F HA 0.206 4.489 4.527 -0.407 0.000 0.298 386 F C 2.190 178.038 175.800 0.081 0.000 1.119 386 F CA 1.093 59.110 58.000 0.028 0.000 1.451 386 F CB -0.554 38.432 39.000 -0.023 0.000 1.091 386 F HN 0.246 nan 8.300 nan 0.000 0.563 387 G N -1.846 107.110 108.800 0.261 0.000 2.777 387 G HA2 -0.110 3.606 3.960 -0.407 0.000 0.211 387 G HA3 -0.110 3.606 3.960 -0.407 0.000 0.211 387 G C 0.481 175.585 174.900 0.340 0.000 1.149 387 G CA -0.125 45.145 45.100 0.284 0.000 0.785 387 G HN 0.279 nan 8.290 nan 0.000 0.536 388 H N 1.556 120.782 119.070 0.260 0.000 3.001 388 H HA 0.033 4.345 4.556 -0.407 0.000 0.334 388 H C -1.205 174.174 175.328 0.085 0.000 1.034 388 H CA -0.891 55.292 56.048 0.225 0.000 1.420 388 H CB 1.702 31.556 29.762 0.154 0.000 1.405 388 H HN -0.026 nan 8.280 nan 0.000 0.593 389 P HA -0.174 nan 4.420 nan 0.000 0.216 389 P C 1.449 178.780 177.300 0.053 0.000 1.153 389 P CA 1.661 64.689 63.100 -0.121 0.000 0.858 389 P CB 0.094 31.638 31.700 -0.261 0.000 0.789 390 M N -1.981 117.765 119.600 0.243 0.000 2.618 390 M HA 0.194 4.430 4.480 -0.407 0.000 0.240 390 M C 0.787 177.189 176.300 0.171 0.000 1.123 390 M CA 0.505 55.941 55.300 0.227 0.000 1.060 390 M CB -0.399 32.361 32.600 0.266 0.000 1.535 390 M HN -0.014 nan 8.290 nan 0.000 0.507 391 G N 0.249 109.169 108.800 0.199 0.000 2.603 391 G HA2 -0.133 3.583 3.960 -0.407 0.000 0.686 391 G HA3 -0.133 3.583 3.960 -0.407 0.000 0.686 391 G C -2.760 172.162 174.900 0.036 0.000 1.286 391 G CA -1.107 44.056 45.100 0.107 0.000 0.871 391 G HN 0.019 nan 8.290 nan 0.000 0.568 392 P HA 0.027 nan 4.420 nan 0.000 0.215 392 P C 2.328 179.493 177.300 -0.226 0.000 1.157 392 P CA 2.897 65.895 63.100 -0.170 0.000 0.863 392 P CB -0.078 31.559 31.700 -0.106 0.000 0.787 393 A N 0.347 123.087 122.820 -0.133 0.000 1.892 393 A HA -0.214 3.862 4.320 -0.407 0.000 0.218 393 A C 2.373 179.853 177.584 -0.173 0.000 1.188 393 A CA 2.619 54.575 52.037 -0.134 0.000 0.631 393 A CB -1.715 17.243 19.000 -0.071 0.000 0.822 393 A HN 0.221 nan 8.150 nan 0.000 0.447 394 A N -0.837 121.872 122.820 -0.185 0.000 1.968 394 A HA 0.214 4.291 4.320 -0.407 0.000 0.217 394 A C 2.374 179.630 177.584 -0.548 0.000 1.169 394 A CA 1.715 53.581 52.037 -0.285 0.000 0.638 394 A CB -1.258 17.612 19.000 -0.217 0.000 0.812 394 A HN 0.740 nan 8.150 nan 0.000 0.446 395 G N -0.159 108.305 108.800 -0.560 0.000 2.421 395 G HA2 -0.028 3.688 3.960 -0.407 0.000 0.216 395 G HA3 -0.028 3.688 3.960 -0.407 0.000 0.216 395 G C 1.775 176.496 174.900 -0.298 0.000 1.171 395 G CA 1.513 46.337 45.100 -0.460 0.000 0.775 395 G HN 0.749 nan 8.290 nan 0.000 0.543 396 A N 0.406 123.049 122.820 -0.294 0.000 1.865 396 A HA -0.077 3.999 4.320 -0.407 0.000 0.217 396 A C 2.534 179.988 177.584 -0.217 0.000 1.191 396 A CA 2.680 54.570 52.037 -0.244 0.000 0.623 396 A CB -1.254 17.613 19.000 -0.222 0.000 0.826 396 A HN 0.305 nan 8.150 nan 0.000 0.444 397 T N 0.730 115.169 114.554 -0.193 0.000 2.653 397 T HA -0.240 3.866 4.350 -0.407 0.000 0.268 397 T C 2.324 176.945 174.700 -0.130 0.000 1.035 397 T CA 2.485 64.501 62.100 -0.141 0.000 1.154 397 T CB -0.657 68.146 68.868 -0.108 0.000 0.862 397 T HN 0.864 nan 8.240 nan 0.000 0.441 398 S N 1.823 117.434 115.700 -0.148 0.000 2.374 398 S HA -0.138 4.088 4.470 -0.407 0.000 0.227 398 S C 2.083 176.655 174.600 -0.048 0.000 1.037 398 S CA 1.131 59.298 58.200 -0.056 0.000 1.024 398 S CB -0.746 62.454 63.200 0.001 0.000 0.861 398 S HN 0.427 nan 8.310 nan 0.000 0.456 399 I N 1.751 122.252 120.570 -0.115 0.000 2.179 399 I HA -0.102 3.824 4.170 -0.407 0.000 0.242 399 I C 2.917 178.856 176.117 -0.297 0.000 1.088 399 I CA 1.252 62.438 61.300 -0.190 0.000 1.357 399 I CB -1.291 36.531 38.000 -0.298 0.000 1.051 399 I HN 0.297 nan 8.210 nan 0.000 0.409 400 R N 1.144 121.448 120.500 -0.327 0.000 2.103 400 R HA -0.182 3.914 4.340 -0.407 0.000 0.242 400 R C 2.193 178.469 176.300 -0.041 0.000 1.142 400 R CA 1.373 57.344 56.100 -0.215 0.000 0.960 400 R CB -0.852 29.369 30.300 -0.133 0.000 0.858 400 R HN 0.590 nan 8.270 nan 0.000 0.439 401 Q N -0.283 119.483 119.800 -0.056 0.000 2.046 401 Q HA 0.010 4.106 4.340 -0.407 0.000 0.200 401 Q C 2.217 178.191 176.000 -0.044 0.000 0.975 401 Q CA 1.388 57.166 55.803 -0.041 0.000 0.836 401 Q CB -0.282 28.426 28.738 -0.051 0.000 0.896 401 Q HN 0.341 nan 8.270 nan 0.000 0.428 402 A N 1.657 124.473 122.820 -0.006 0.000 1.903 402 A HA -0.245 3.831 4.320 -0.407 0.000 0.219 402 A C 1.792 179.356 177.584 -0.034 0.000 1.191 402 A CA 1.593 53.630 52.037 0.001 0.000 0.638 402 A CB -1.374 17.648 19.000 0.036 0.000 0.823 402 A HN 0.745 nan 8.150 nan 0.000 0.451 403 W N 0.939 122.141 121.300 -0.162 0.000 2.354 403 W HA -0.206 4.210 4.660 -0.407 0.000 0.315 403 W C 1.309 177.719 176.519 -0.180 0.000 1.206 403 W CA 1.964 59.226 57.345 -0.137 0.000 1.290 403 W CB -0.379 29.081 29.460 -0.001 0.000 1.152 403 W HN 0.430 nan 8.180 nan 0.000 0.489 404 D N 0.667 120.886 120.400 -0.302 0.000 2.149 404 D HA -0.214 4.182 4.640 -0.407 0.000 0.194 404 D C 2.301 178.209 176.300 -0.654 0.000 1.001 404 D CA 2.228 55.963 54.000 -0.441 0.000 0.849 404 D CB -0.864 39.775 40.800 -0.269 0.000 0.939 404 D HN 0.205 nan 8.370 nan 0.000 0.449 405 A N 0.726 123.124 122.820 -0.703 0.000 1.835 405 A HA -0.173 3.903 4.320 -0.407 0.000 0.215 405 A C 2.434 179.706 177.584 -0.521 0.000 1.199 405 A CA 1.368 53.011 52.037 -0.657 0.000 0.615 405 A CB -0.921 17.814 19.000 -0.442 0.000 0.838 405 A HN 0.217 nan 8.150 nan 0.000 0.444 406 I N 0.067 120.301 120.570 -0.561 0.000 2.151 406 I HA -0.347 3.579 4.170 -0.407 0.000 0.243 406 I C 2.911 178.565 176.117 -0.771 0.000 1.080 406 I CA 1.396 62.328 61.300 -0.613 0.000 1.339 406 I CB -0.407 37.166 38.000 -0.712 0.000 1.039 406 I HN 0.359 nan 8.210 nan 0.000 0.409 407 A N 0.437 122.567 122.820 -1.150 0.000 2.019 407 A HA -0.037 4.039 4.320 -0.407 0.000 0.219 407 A C 2.317 179.639 177.584 -0.437 0.000 1.164 407 A CA 1.731 53.244 52.037 -0.873 0.000 0.644 407 A CB -0.639 17.795 19.000 -0.944 0.000 0.805 407 A HN 0.464 nan 8.150 nan 0.000 0.449 408 A N -1.836 120.741 122.820 -0.404 0.000 2.275 408 A HA 0.434 4.510 4.320 -0.407 0.000 0.212 408 A C 1.749 179.218 177.584 -0.192 0.000 1.201 408 A CA 1.059 52.948 52.037 -0.247 0.000 0.843 408 A CB -0.905 17.957 19.000 -0.230 0.000 0.873 408 A HN 1.797 nan 8.150 nan 0.000 0.492 409 G N -0.377 108.291 108.800 -0.220 0.000 2.168 409 G HA2 -0.265 3.451 3.960 -0.407 0.000 0.257 409 G HA3 -0.265 3.451 3.960 -0.407 0.000 0.257 409 G C 0.138 174.971 174.900 -0.111 0.000 0.997 409 G CA 0.555 45.573 45.100 -0.138 0.000 0.708 409 G HN 0.519 nan 8.290 nan 0.000 0.520 410 I N 2.754 123.236 120.570 -0.147 0.000 2.416 410 I HA 0.238 4.164 4.170 -0.407 0.000 0.288 410 I C -1.270 174.797 176.117 -0.085 0.000 1.051 410 I CA -2.153 59.089 61.300 -0.098 0.000 1.375 410 I CB 0.947 38.884 38.000 -0.104 0.000 1.407 410 I HN -0.065 nan 8.210 nan 0.000 0.516 411 P HA 0.002 nan 4.420 nan 0.000 0.267 411 P C 0.900 178.202 177.300 0.003 0.000 1.200 411 P CA -0.121 62.970 63.100 -0.015 0.000 0.772 411 P CB 1.093 32.795 31.700 0.004 0.000 0.855 412 V N 4.417 124.337 119.914 0.010 0.000 2.223 412 V HA -0.142 3.734 4.120 -0.407 0.000 0.244 412 V C -0.430 175.709 176.094 0.075 0.000 1.045 412 V CA 2.433 64.755 62.300 0.037 0.000 1.000 412 V CB -2.461 29.385 31.823 0.038 0.000 0.635 412 V HN 0.595 nan 8.190 nan 0.000 0.445 413 P HA -0.186 nan 4.420 nan 0.000 0.219 413 P C 0.716 178.054 177.300 0.063 0.000 1.144 413 P CA 1.744 64.881 63.100 0.062 0.000 0.806 413 P CB -0.114 31.615 31.700 0.047 0.000 0.771 414 D N -1.815 118.626 120.400 0.068 0.000 2.084 414 D HA -0.164 4.232 4.640 -0.407 0.000 0.196 414 D C 2.118 178.482 176.300 0.107 0.000 0.985 414 D CA 0.969 55.011 54.000 0.070 0.000 0.826 414 D CB -1.103 39.733 40.800 0.060 0.000 0.978 414 D HN 0.316 nan 8.370 nan 0.000 0.456 415 H N 0.319 119.401 119.070 0.020 0.000 2.387 415 H HA -0.081 4.231 4.556 -0.406 0.000 0.299 415 H C 1.886 177.279 175.328 0.109 0.000 1.099 415 H CA 1.409 57.482 56.048 0.041 0.000 1.315 415 H CB 0.100 29.836 29.762 -0.044 0.000 1.380 415 H HN 0.118 nan 8.280 nan 0.000 0.513 416 A N 1.005 123.886 122.820 0.101 0.000 2.024 416 A HA -0.108 3.968 4.320 -0.407 0.000 0.220 416 A C 2.596 180.206 177.584 0.042 0.000 1.164 416 A CA 1.353 53.432 52.037 0.071 0.000 0.643 416 A CB -0.839 18.210 19.000 0.081 0.000 0.806 416 A HN 0.561 nan 8.150 nan 0.000 0.451 417 A N -0.066 122.772 122.820 0.030 0.000 2.125 417 A HA 0.002 4.078 4.320 -0.407 0.000 0.219 417 A C 2.089 179.657 177.584 -0.028 0.000 1.156 417 A CA 1.986 54.027 52.037 0.006 0.000 0.671 417 A CB -0.508 18.498 19.000 0.010 0.000 0.794 417 A HN 1.098 nan 8.150 nan 0.000 0.459 418 S N -2.280 113.389 115.700 -0.052 0.000 2.666 418 S HA 0.271 4.497 4.470 -0.407 0.000 0.239 418 S C -0.152 174.223 174.600 -0.375 0.000 1.031 418 S CA -0.472 57.624 58.200 -0.174 0.000 1.015 418 S CB -0.203 62.880 63.200 -0.195 0.000 0.981 418 S HN 0.497 nan 8.310 nan 0.000 0.547 419 H N 1.645 120.622 119.070 -0.155 0.000 2.860 419 H HA 0.440 4.752 4.556 -0.406 0.000 0.312 419 H C -2.352 172.949 175.328 -0.046 0.000 0.995 419 H CA -1.541 54.437 56.048 -0.118 0.000 1.311 419 H CB 1.618 31.277 29.762 -0.172 0.000 1.478 419 H HN 0.009 nan 8.280 nan 0.000 0.508 420 P HA -0.186 nan 4.420 nan 0.000 0.216 420 P C 0.826 178.182 177.300 0.093 0.000 1.150 420 P CA 1.260 64.385 63.100 0.042 0.000 0.843 420 P CB 0.576 32.288 31.700 0.019 0.000 0.787 421 E N -0.794 119.471 120.200 0.108 0.000 2.046 421 E HA -0.121 3.986 4.350 -0.407 0.000 0.190 421 E C 1.870 178.594 176.600 0.208 0.000 0.982 421 E CA 0.648 57.133 56.400 0.141 0.000 0.800 421 E CB -1.265 28.441 29.700 0.011 0.000 0.756 421 E HN 0.091 nan 8.360 nan 0.000 0.449 422 L N 0.671 121.980 121.223 0.145 0.000 2.083 422 L HA -0.070 4.026 4.340 -0.407 0.000 0.209 422 L C 2.032 178.989 176.870 0.145 0.000 1.083 422 L CA 1.966 56.893 54.840 0.145 0.000 0.752 422 L CB -0.816 41.308 42.059 0.109 0.000 0.899 422 L HN 0.124 nan 8.230 nan 0.000 0.433 423 A N -0.523 122.364 122.820 0.113 0.000 1.873 423 A HA -0.067 4.009 4.320 -0.407 0.000 0.215 423 A C 2.470 180.089 177.584 0.058 0.000 1.186 423 A CA 1.724 53.806 52.037 0.074 0.000 0.616 423 A CB -1.195 17.834 19.000 0.047 0.000 0.823 423 A HN 0.547 nan 8.150 nan 0.000 0.442 424 A N -0.118 122.744 122.820 0.070 0.000 1.908 424 A HA 0.096 4.172 4.320 -0.407 0.000 0.218 424 A C 2.480 180.007 177.584 -0.094 0.000 1.181 424 A CA 2.299 54.324 52.037 -0.019 0.000 0.627 424 A CB -0.965 18.038 19.000 0.006 0.000 0.818 424 A HN 1.075 nan 8.150 nan 0.000 0.445 425 A N -0.596 122.284 122.820 0.101 0.000 1.929 425 A HA 0.084 4.160 4.320 -0.407 0.000 0.216 425 A C 2.163 179.860 177.584 0.188 0.000 1.176 425 A CA 1.248 53.411 52.037 0.209 0.000 0.628 425 A CB -0.484 18.816 19.000 0.500 0.000 0.816 425 A HN 0.461 nan 8.150 nan 0.000 0.444 426 L N -1.085 120.220 121.223 0.137 0.000 2.017 426 L HA -0.191 3.905 4.340 -0.407 0.000 0.208 426 L C 2.903 179.795 176.870 0.036 0.000 1.073 426 L CA 1.426 56.332 54.840 0.110 0.000 0.745 426 L CB -0.505 41.608 42.059 0.091 0.000 0.894 426 L HN 0.378 nan 8.230 nan 0.000 0.432 427 R N -0.181 120.306 120.500 -0.022 0.000 2.097 427 R HA -0.210 3.886 4.340 -0.407 0.000 0.236 427 R C 2.345 178.551 176.300 -0.156 0.000 1.135 427 R CA 1.750 57.806 56.100 -0.074 0.000 0.934 427 R CB -0.546 29.700 30.300 -0.090 0.000 0.846 427 R HN 0.376 nan 8.270 nan 0.000 0.431 428 A N 0.268 122.896 122.820 -0.321 0.000 1.969 428 A HA -0.034 4.042 4.320 -0.407 0.000 0.218 428 A C 0.740 177.937 177.584 -0.644 0.000 1.169 428 A CA 1.065 52.733 52.037 -0.615 0.000 0.635 428 A CB -0.090 18.282 19.000 -1.046 0.000 0.810 428 A HN 0.163 nan 8.150 nan 0.000 0.445 429 F N 0.000 119.954 119.950 0.007 0.000 2.286 429 F HA 0.000 4.283 4.527 -0.406 0.000 0.279 429 F CA 0.000 58.019 58.000 0.032 0.000 1.383 429 F CB 0.000 39.033 39.000 0.055 0.000 1.145 429 F HN 0.000 nan 8.300 nan 0.000 0.574