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 2o1x_1_D DATA FIRST_RESID 17 DATA SEQUENCE HGPKDLKRLS REQLPALTEE LRGEIVRVCS RGGLHLASSL GAVDIITALH DATA SEQUENCE YVLDSPRDRI LFDVGHQAYA HKILTGRRDQ MADIKKEGGI SGFTKVSESE DATA SEQUENCE HDAITVGHAS TSLTNALGMA LARDAQGKDF HVAAVIGDGS LTGGMALAAL DATA SEQUENCE NTIGDMGRKM LIVLNDNEMS ISENVXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXVN PFAAMGVRYV GPVDGHNVQE DATA SEQUENCE LVWLLERLVD LDGPTILHIV TTKGXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXAYSWSA AFGEAVTEWA KTDPRTFVVT PAMREGSGLV EFSRVHPHRY DATA SEQUENCE LDVGIAEEVA VTTAAGMALQ GMRPVVAIYS TFLQRAYDQV LHDVAIEHLN DATA SEQUENCE VTFCIDRAGI VGADGATHNG VFDLSFLRSI PGVRIGLPKD AAELRGMLKY DATA SEQUENCE AQTHDGPFAI RYPRGNTAQV PAGTWPDLKW GEWERLKGGD DVVILAGGKA DATA SEQUENCE LDYALKAAED LPGVGVVNAR FVKPLDEEML REVGGRARAL ITVEDNTVVG DATA SEQUENCE GFGGAVLEAL NSMNLHPTVR VLGIPDEFQE HATAESVHAR AGIDAPAIRT DATA SEQUENCE VLAELGVDVP IEV 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 17 H HA 0.000 nan 4.556 nan 0.000 0.296 17 H C 0.000 175.269 175.328 -0.098 0.000 0.993 17 H CA 0.000 56.011 56.048 -0.062 0.000 1.023 17 H CB 0.000 29.737 29.762 -0.041 0.000 1.292 18 G N 0.125 108.935 108.800 0.017 0.000 2.753 18 G HA2 0.331 4.292 3.960 0.001 0.000 0.303 18 G HA3 0.331 4.292 3.960 0.001 0.000 0.303 18 G C -2.112 172.734 174.900 -0.090 0.000 1.242 18 G CA -0.562 44.483 45.100 -0.093 0.000 0.810 18 G HN -0.156 nan 8.290 nan 0.000 0.515 19 P HA 0.051 nan 4.420 nan 0.000 0.220 19 P C 1.617 178.938 177.300 0.035 0.000 1.152 19 P CA 0.986 64.092 63.100 0.010 0.000 0.812 19 P CB 0.279 32.085 31.700 0.177 0.000 0.792 20 K N 0.550 120.976 120.400 0.043 0.000 2.032 20 K HA -0.168 4.152 4.320 0.001 0.000 0.209 20 K C 1.184 177.789 176.600 0.009 0.000 1.048 20 K CA 1.734 58.037 56.287 0.026 0.000 0.927 20 K CB -0.501 32.021 32.500 0.038 0.000 0.712 20 K HN 0.074 nan 8.250 nan 0.000 0.441 21 D N 0.449 120.860 120.400 0.018 0.000 2.363 21 D HA -0.073 4.567 4.640 0.001 0.000 0.226 21 D C 1.557 177.865 176.300 0.013 0.000 1.020 21 D CA 0.454 54.466 54.000 0.020 0.000 0.892 21 D CB 0.355 41.181 40.800 0.043 0.000 0.900 21 D HN 0.194 nan 8.370 nan 0.000 0.531 22 L N 0.588 121.816 121.223 0.008 0.000 2.388 22 L HA 0.034 4.375 4.340 0.001 0.000 0.209 22 L C 2.044 178.932 176.870 0.029 0.000 1.061 22 L CA 0.655 55.514 54.840 0.032 0.000 0.834 22 L CB 0.223 42.310 42.059 0.046 0.000 1.029 22 L HN -0.261 nan 8.230 nan 0.000 0.473 23 K N -0.499 119.852 120.400 -0.082 0.000 2.360 23 K HA -0.188 4.132 4.320 0.001 0.000 0.201 23 K C 1.934 178.450 176.600 -0.140 0.000 1.046 23 K CA 0.840 56.954 56.287 -0.288 0.000 0.940 23 K CB -0.196 32.112 32.500 -0.321 0.000 0.748 23 K HN 0.181 nan 8.250 nan 0.000 0.465 24 R N 1.023 121.505 120.500 -0.030 0.000 2.285 24 R HA 0.034 4.375 4.340 0.001 0.000 0.213 24 R C 0.268 176.604 176.300 0.060 0.000 1.068 24 R CA 0.212 56.317 56.100 0.009 0.000 1.004 24 R CB -0.038 30.269 30.300 0.011 0.000 0.873 24 R HN 0.075 nan 8.270 nan 0.000 0.467 25 L N 1.584 122.877 121.223 0.117 0.000 2.349 25 L HA 0.117 4.457 4.340 0.001 0.000 0.275 25 L C 0.642 177.652 176.870 0.233 0.000 1.115 25 L CA -0.494 54.441 54.840 0.157 0.000 0.820 25 L CB 1.327 43.487 42.059 0.168 0.000 1.135 25 L HN 0.153 nan 8.230 nan 0.000 0.445 26 S N 2.797 118.585 115.700 0.145 0.000 2.576 26 S HA 0.118 4.588 4.470 0.001 0.000 0.272 26 S C 1.089 175.742 174.600 0.088 0.000 1.352 26 S CA -0.509 57.772 58.200 0.135 0.000 1.021 26 S CB 0.775 64.018 63.200 0.072 0.000 0.887 26 S HN 0.638 nan 8.310 nan 0.000 0.542 27 R N 0.885 121.414 120.500 0.048 0.000 2.193 27 R HA -0.073 4.268 4.340 0.001 0.000 0.229 27 R C 2.029 178.261 176.300 -0.113 0.000 1.110 27 R CA 1.255 57.271 56.100 -0.139 0.000 0.988 27 R CB -0.367 29.892 30.300 -0.067 0.000 0.871 27 R HN 0.849 nan 8.270 nan 0.000 0.458 28 E N 1.568 121.743 120.200 -0.041 0.000 2.358 28 E HA -0.142 4.208 4.350 0.001 0.000 0.195 28 E C 1.184 177.765 176.600 -0.032 0.000 1.010 28 E CA 0.708 57.088 56.400 -0.033 0.000 0.856 28 E CB 0.230 29.923 29.700 -0.013 0.000 0.795 28 E HN 0.420 nan 8.360 nan 0.000 0.504 29 Q N 0.030 119.815 119.800 -0.025 0.000 2.444 29 Q HA 0.101 4.442 4.340 0.001 0.000 0.206 29 Q C 2.006 177.989 176.000 -0.028 0.000 0.948 29 Q CA -0.056 55.740 55.803 -0.013 0.000 0.946 29 Q CB 0.332 29.080 28.738 0.016 0.000 1.027 29 Q HN 0.331 nan 8.270 nan 0.000 0.513 30 L N 0.224 121.407 121.223 -0.067 0.000 2.131 30 L HA -0.060 4.281 4.340 0.001 0.000 0.206 30 L C -0.792 176.049 176.870 -0.048 0.000 1.087 30 L CA 0.705 55.496 54.840 -0.081 0.000 0.767 30 L CB -1.237 40.717 42.059 -0.175 0.000 0.917 30 L HN 0.120 nan 8.230 nan 0.000 0.441 31 P HA -0.116 nan 4.420 nan 0.000 0.218 31 P C 1.524 178.810 177.300 -0.024 0.000 1.149 31 P CA 1.453 64.535 63.100 -0.029 0.000 0.817 31 P CB 0.044 31.728 31.700 -0.027 0.000 0.785 32 A N -0.301 122.507 122.820 -0.021 0.000 1.908 32 A HA -0.188 4.133 4.320 0.001 0.000 0.218 32 A C 2.108 179.682 177.584 -0.016 0.000 1.181 32 A CA 1.603 53.630 52.037 -0.017 0.000 0.627 32 A CB -1.653 17.339 19.000 -0.013 0.000 0.818 32 A HN 0.187 nan 8.150 nan 0.000 0.445 33 L N -1.014 120.200 121.223 -0.014 0.000 2.291 33 L HA -0.006 4.335 4.340 0.001 0.000 0.214 33 L C 2.415 179.277 176.870 -0.014 0.000 1.120 33 L CA 2.300 57.132 54.840 -0.012 0.000 0.799 33 L CB -0.733 41.324 42.059 -0.003 0.000 0.925 33 L HN 0.361 nan 8.230 nan 0.000 0.446 34 T N -1.233 113.312 114.554 -0.015 0.000 2.867 34 T HA -0.121 4.229 4.350 0.001 0.000 0.268 34 T C 1.751 176.436 174.700 -0.024 0.000 1.057 34 T CA 1.281 63.371 62.100 -0.016 0.000 1.136 34 T CB -0.040 68.818 68.868 -0.017 0.000 0.874 34 T HN 0.379 nan 8.240 nan 0.000 0.466 35 E N 0.846 121.030 120.200 -0.025 0.000 2.076 35 E HA -0.041 4.309 4.350 0.001 0.000 0.190 35 E C 2.285 178.871 176.600 -0.024 0.000 0.979 35 E CA 0.726 57.109 56.400 -0.027 0.000 0.807 35 E CB -0.120 29.564 29.700 -0.025 0.000 0.761 35 E HN 0.650 nan 8.360 nan 0.000 0.454 36 E N 0.866 121.053 120.200 -0.022 0.000 2.023 36 E HA -0.177 4.174 4.350 0.001 0.000 0.196 36 E C 2.391 178.977 176.600 -0.022 0.000 1.003 36 E CA 0.914 57.300 56.400 -0.023 0.000 0.809 36 E CB -0.216 29.469 29.700 -0.025 0.000 0.755 36 E HN 0.177 nan 8.360 nan 0.000 0.449 37 L N 0.440 121.650 121.223 -0.021 0.000 2.042 37 L HA -0.240 4.101 4.340 0.001 0.000 0.210 37 L C 2.755 179.618 176.870 -0.010 0.000 1.076 37 L CA 1.274 56.105 54.840 -0.016 0.000 0.749 37 L CB -0.456 41.597 42.059 -0.010 0.000 0.893 37 L HN 0.090 nan 8.230 nan 0.000 0.432 38 R N 0.342 120.831 120.500 -0.017 0.000 2.132 38 R HA -0.186 4.154 4.340 0.001 0.000 0.233 38 R C 2.127 178.418 176.300 -0.016 0.000 1.125 38 R CA 1.998 58.084 56.100 -0.023 0.000 0.914 38 R CB -0.804 29.474 30.300 -0.036 0.000 0.845 38 R HN 0.364 nan 8.270 nan 0.000 0.431 39 G N -0.817 107.973 108.800 -0.017 0.000 2.679 39 G HA2 -0.207 3.754 3.960 0.001 0.000 0.212 39 G HA3 -0.207 3.754 3.960 0.001 0.000 0.212 39 G C 1.175 176.069 174.900 -0.010 0.000 1.137 39 G CA 0.652 45.744 45.100 -0.013 0.000 0.787 39 G HN 0.437 nan 8.290 nan 0.000 0.534 40 E N 0.466 120.660 120.200 -0.009 0.000 2.060 40 E HA 0.037 4.388 4.350 0.001 0.000 0.189 40 E C 2.197 178.801 176.600 0.007 0.000 0.974 40 E CA 0.310 56.704 56.400 -0.010 0.000 0.808 40 E CB -0.257 29.431 29.700 -0.021 0.000 0.768 40 E HN 0.303 nan 8.360 nan 0.000 0.453 41 I N 0.049 120.635 120.570 0.027 0.000 2.361 41 I HA -0.218 3.953 4.170 0.001 0.000 0.251 41 I C 2.111 178.264 176.117 0.060 0.000 1.133 41 I CA 0.539 61.886 61.300 0.079 0.000 1.413 41 I CB -0.121 37.935 38.000 0.093 0.000 1.073 41 I HN 0.043 nan 8.210 nan 0.000 0.424 42 V N 0.368 120.296 119.914 0.023 0.000 2.261 42 V HA -0.295 3.826 4.120 0.001 0.000 0.246 42 V C 2.629 178.730 176.094 0.013 0.000 1.047 42 V CA 2.072 64.379 62.300 0.011 0.000 1.015 42 V CB -0.693 31.129 31.823 -0.001 0.000 0.642 42 V HN 0.405 nan 8.190 nan 0.000 0.446 43 R N -0.165 120.339 120.500 0.007 0.000 2.115 43 R HA -0.055 4.286 4.340 0.001 0.000 0.226 43 R C 1.645 177.946 176.300 0.002 0.000 1.100 43 R CA 1.044 57.144 56.100 0.001 0.000 0.980 43 R CB -0.045 30.251 30.300 -0.007 0.000 0.875 43 R HN 0.426 nan 8.270 nan 0.000 0.445 44 V N 0.121 120.040 119.914 0.008 0.000 3.490 44 V HA -0.041 4.080 4.120 0.001 0.000 0.315 44 V C 0.447 176.555 176.094 0.023 0.000 1.284 44 V CA 0.464 62.764 62.300 -0.001 0.000 1.233 44 V CB 0.233 32.040 31.823 -0.025 0.000 1.101 44 V HN 0.472 nan 8.190 nan 0.000 0.425 45 C N -1.812 117.507 119.300 0.032 0.000 3.911 45 C HA 0.110 4.571 4.460 0.001 0.000 0.318 45 C C 2.629 177.627 174.990 0.013 0.000 1.643 45 C CA 0.290 59.329 59.018 0.036 0.000 1.845 45 C CB -0.334 27.441 27.740 0.058 0.000 2.981 45 C HN 0.569 nan 8.230 nan 0.000 0.656 46 S N 1.397 117.101 115.700 0.008 0.000 2.400 46 S HA -0.214 4.257 4.470 0.001 0.000 0.232 46 S C 1.983 176.584 174.600 0.002 0.000 1.025 46 S CA 1.571 59.773 58.200 0.003 0.000 0.993 46 S CB -0.346 62.854 63.200 0.001 0.000 0.808 46 S HN 0.669 nan 8.310 nan 0.000 0.478 47 R N 0.582 121.082 120.500 -0.000 0.000 2.136 47 R HA -0.027 4.313 4.340 0.001 0.000 0.242 47 R C 1.218 177.518 176.300 -0.000 0.000 1.131 47 R CA 1.650 57.749 56.100 -0.002 0.000 0.937 47 R CB -0.555 29.741 30.300 -0.006 0.000 0.863 47 R HN 0.585 nan 8.270 nan 0.000 0.435 48 G N -3.606 105.192 108.800 -0.003 0.000 2.321 48 G HA2 0.301 4.262 3.960 0.001 0.000 0.296 48 G HA3 0.301 4.262 3.960 0.001 0.000 0.296 48 G C -1.119 173.771 174.900 -0.017 0.000 1.287 48 G CA -0.591 44.506 45.100 -0.005 0.000 0.846 48 G HN 0.369 nan 8.290 nan 0.000 0.508 49 G N -0.601 108.185 108.800 -0.023 0.000 2.255 49 G HA2 0.485 4.446 3.960 0.001 0.000 0.267 49 G HA3 0.485 4.446 3.960 0.001 0.000 0.267 49 G C 0.154 174.973 174.900 -0.135 0.000 1.177 49 G CA 0.180 45.247 45.100 -0.054 0.000 1.027 49 G HN 0.877 nan 8.290 nan 0.000 0.437 50 L N 4.043 125.156 121.223 -0.182 0.000 3.132 50 L HA 0.216 4.557 4.340 0.001 0.000 0.333 50 L C -0.150 176.501 176.870 -0.365 0.000 1.293 50 L CA -0.976 53.693 54.840 -0.286 0.000 0.809 50 L CB -0.089 41.958 42.059 -0.019 0.000 1.244 50 L HN 0.704 nan 8.230 nan 0.000 0.586 51 H N -0.432 118.599 119.070 -0.065 0.000 2.740 51 H HA -0.169 4.387 4.556 0.001 0.000 0.327 51 H C 0.955 176.097 175.328 -0.310 0.000 1.077 51 H CA 0.505 56.467 56.048 -0.143 0.000 1.088 51 H CB -1.125 28.559 29.762 -0.130 0.000 1.619 51 H HN 0.455 nan 8.280 nan 0.000 0.386 52 L N 0.494 121.654 121.223 -0.104 0.000 1.988 52 L HA -0.152 4.189 4.340 0.001 0.000 0.207 52 L C 2.651 179.451 176.870 -0.117 0.000 1.071 52 L CA 1.644 56.413 54.840 -0.118 0.000 0.744 52 L CB -0.359 41.674 42.059 -0.044 0.000 0.893 52 L HN 0.617 nan 8.230 nan 0.000 0.433 53 A N -0.569 122.222 122.820 -0.049 0.000 1.869 53 A HA -0.289 4.032 4.320 0.001 0.000 0.218 53 A C 2.387 179.932 177.584 -0.064 0.000 1.203 53 A CA 2.562 54.582 52.037 -0.028 0.000 0.638 53 A CB -1.062 17.950 19.000 0.019 0.000 0.831 53 A HN 0.471 nan 8.150 nan 0.000 0.450 54 S N -0.185 115.456 115.700 -0.098 0.000 2.400 54 S HA -0.121 4.349 4.470 0.001 0.000 0.232 54 S C 2.158 176.611 174.600 -0.245 0.000 1.025 54 S CA 1.491 59.573 58.200 -0.197 0.000 0.993 54 S CB -0.286 62.642 63.200 -0.452 0.000 0.808 54 S HN 0.622 nan 8.310 nan 0.000 0.478 55 S N 0.962 116.489 115.700 -0.290 0.000 2.446 55 S HA 0.222 4.693 4.470 0.001 0.000 0.225 55 S C 1.666 176.196 174.600 -0.116 0.000 1.016 55 S CA 0.360 58.401 58.200 -0.266 0.000 0.943 55 S CB -0.133 62.778 63.200 -0.482 0.000 0.786 55 S HN 0.370 nan 8.310 nan 0.000 0.508 56 L N 0.701 121.869 121.223 -0.092 0.000 2.131 56 L HA 0.075 4.416 4.340 0.001 0.000 0.206 56 L C 2.627 179.484 176.870 -0.022 0.000 1.087 56 L CA 1.081 55.892 54.840 -0.048 0.000 0.767 56 L CB -0.815 41.217 42.059 -0.046 0.000 0.917 56 L HN 0.381 nan 8.230 nan 0.000 0.441 57 G N -0.566 108.237 108.800 0.005 0.000 2.534 57 G HA2 -0.052 3.908 3.960 0.001 0.000 0.217 57 G HA3 -0.052 3.908 3.960 0.001 0.000 0.217 57 G C 1.380 176.349 174.900 0.116 0.000 1.128 57 G CA 0.681 45.840 45.100 0.098 0.000 0.784 57 G HN 0.431 nan 8.290 nan 0.000 0.542 58 A N -0.261 122.587 122.820 0.047 0.000 2.348 58 A HA 0.517 4.837 4.320 0.001 0.000 0.224 58 A C 2.092 179.730 177.584 0.090 0.000 1.227 58 A CA 0.224 52.304 52.037 0.071 0.000 0.885 58 A CB 0.236 19.257 19.000 0.034 0.000 0.933 58 A HN 0.115 nan 8.150 nan 0.000 0.506 59 V N 0.760 120.711 119.914 0.061 0.000 2.407 59 V HA -0.255 3.865 4.120 0.001 0.000 0.248 59 V C 1.855 177.995 176.094 0.078 0.000 1.055 59 V CA 2.531 64.864 62.300 0.055 0.000 1.049 59 V CB -0.677 31.154 31.823 0.013 0.000 0.662 59 V HN 0.596 nan 8.190 nan 0.000 0.455 60 D N -0.705 119.753 120.400 0.096 0.000 2.277 60 D HA -0.036 4.605 4.640 0.001 0.000 0.208 60 D C 1.774 178.138 176.300 0.107 0.000 0.962 60 D CA 0.763 54.825 54.000 0.103 0.000 0.865 60 D CB 0.131 41.024 40.800 0.156 0.000 0.939 60 D HN 0.478 nan 8.370 nan 0.000 0.510 61 I N -0.345 120.299 120.570 0.123 0.000 3.708 61 I HA 0.100 4.271 4.170 0.001 0.000 0.302 61 I C 1.478 177.687 176.117 0.153 0.000 1.255 61 I CA 0.243 61.612 61.300 0.116 0.000 1.362 61 I CB 0.406 38.462 38.000 0.093 0.000 1.100 61 I HN -0.103 nan 8.210 nan 0.000 0.434 62 I N 0.461 121.156 120.570 0.209 0.000 2.315 62 I HA -0.262 3.909 4.170 0.001 0.000 0.248 62 I C 2.187 178.467 176.117 0.271 0.000 1.117 62 I CA 1.559 63.046 61.300 0.312 0.000 1.404 62 I CB -0.541 37.669 38.000 0.350 0.000 1.071 62 I HN 0.196 nan 8.210 nan 0.000 0.419 63 T N 0.840 115.502 114.554 0.180 0.000 2.708 63 T HA -0.177 4.174 4.350 0.001 0.000 0.266 63 T C 2.089 176.891 174.700 0.171 0.000 1.037 63 T CA 1.483 63.674 62.100 0.152 0.000 1.146 63 T CB -0.362 68.555 68.868 0.082 0.000 0.865 63 T HN 0.475 nan 8.240 nan 0.000 0.435 64 A N 1.112 124.010 122.820 0.130 0.000 1.877 64 A HA 0.027 4.348 4.320 0.001 0.000 0.216 64 A C 2.329 179.995 177.584 0.138 0.000 1.186 64 A CA 1.226 53.330 52.037 0.112 0.000 0.620 64 A CB -0.856 18.189 19.000 0.076 0.000 0.822 64 A HN 0.456 nan 8.150 nan 0.000 0.443 65 L N -1.693 119.598 121.223 0.113 0.000 2.056 65 L HA -0.144 4.197 4.340 0.001 0.000 0.207 65 L C 2.592 179.477 176.870 0.025 0.000 1.078 65 L CA 1.171 56.033 54.840 0.037 0.000 0.749 65 L CB -0.553 41.493 42.059 -0.021 0.000 0.901 65 L HN 0.463 nan 8.230 nan 0.000 0.433 66 H N -1.944 117.199 119.070 0.122 0.000 2.495 66 H HA -0.142 4.415 4.556 0.001 0.000 0.287 66 H C 1.869 177.259 175.328 0.103 0.000 1.033 66 H CA 1.247 57.356 56.048 0.101 0.000 1.307 66 H CB 0.255 30.069 29.762 0.087 0.000 1.401 66 H HN 0.346 nan 8.280 nan 0.000 0.555 67 Y N 0.522 120.894 120.300 0.121 0.000 2.263 67 Y HA -0.145 4.406 4.550 0.001 0.000 0.292 67 Y C 2.294 178.217 175.900 0.038 0.000 1.130 67 Y CA 0.877 59.020 58.100 0.072 0.000 1.179 67 Y CB 0.008 38.505 38.460 0.061 0.000 0.998 67 Y HN -0.124 nan 8.280 nan 0.000 0.532 68 V N 0.100 120.118 119.914 0.172 0.000 2.331 68 V HA -0.098 4.023 4.120 0.001 0.000 0.242 68 V C 0.793 176.872 176.094 -0.025 0.000 1.034 68 V CA 0.862 63.199 62.300 0.063 0.000 1.027 68 V CB -0.319 31.535 31.823 0.052 0.000 0.667 68 V HN 0.055 nan 8.190 nan 0.000 0.457 69 L N 1.610 122.806 121.223 -0.044 0.000 2.360 69 L HA 0.397 4.737 4.340 0.001 0.000 0.271 69 L C -0.467 176.366 176.870 -0.061 0.000 1.057 69 L CA -0.519 54.276 54.840 -0.076 0.000 0.803 69 L CB 0.939 42.927 42.059 -0.119 0.000 1.207 69 L HN 0.342 nan 8.230 nan 0.000 0.445 70 D N 0.594 120.966 120.400 -0.047 0.000 2.460 70 D HA 0.105 4.746 4.640 0.001 0.000 0.268 70 D C -0.054 176.237 176.300 -0.014 0.000 1.153 70 D CA -0.456 53.540 54.000 -0.007 0.000 0.929 70 D CB 1.152 41.949 40.800 -0.005 0.000 1.015 70 D HN 0.375 nan 8.370 nan 0.000 0.502 71 S N 2.303 118.011 115.700 0.013 0.000 2.549 71 S HA 0.189 4.660 4.470 0.001 0.000 0.286 71 S C -1.415 173.221 174.600 0.060 0.000 1.314 71 S CA -0.601 57.620 58.200 0.036 0.000 1.062 71 S CB 1.296 64.598 63.200 0.169 0.000 0.865 71 S HN 0.283 nan 8.310 nan 0.000 0.498 72 P HA 0.169 nan 4.420 nan 0.000 0.252 72 P C 1.068 178.270 177.300 -0.164 0.000 1.218 72 P CA 0.126 63.139 63.100 -0.145 0.000 0.807 72 P CB 0.140 31.707 31.700 -0.220 0.000 1.072 73 R N -0.062 120.363 120.500 -0.125 0.000 2.096 73 R HA -0.054 4.287 4.340 0.001 0.000 0.240 73 R C 0.856 176.966 176.300 -0.316 0.000 1.139 73 R CA 1.062 57.078 56.100 -0.141 0.000 0.952 73 R CB -0.621 29.656 30.300 -0.039 0.000 0.854 73 R HN 0.283 nan 8.270 nan 0.000 0.436 74 D N -0.073 120.189 120.400 -0.229 0.000 2.411 74 D HA 0.190 4.831 4.640 0.001 0.000 0.251 74 D C -0.423 175.697 176.300 -0.300 0.000 1.201 74 D CA -0.103 53.739 54.000 -0.264 0.000 0.996 74 D CB 0.879 41.606 40.800 -0.121 0.000 1.101 74 D HN -0.207 nan 8.370 nan 0.000 0.504 75 R N 0.392 120.740 120.500 -0.253 0.000 2.473 75 R HA 0.458 4.799 4.340 0.001 0.000 0.303 75 R C -1.073 175.147 176.300 -0.134 0.000 1.002 75 R CA -0.408 55.573 56.100 -0.198 0.000 0.884 75 R CB 0.645 30.800 30.300 -0.241 0.000 1.173 75 R HN 0.275 nan 8.270 nan 0.000 0.464 76 I N 4.957 125.455 120.570 -0.120 0.000 2.330 76 I HA 0.351 4.522 4.170 0.001 0.000 0.289 76 I C -0.735 175.231 176.117 -0.252 0.000 1.001 76 I CA -0.823 60.354 61.300 -0.205 0.000 1.193 76 I CB 1.125 38.994 38.000 -0.219 0.000 1.345 76 I HN 0.224 nan 8.210 nan 0.000 0.461 77 L N 7.213 128.244 121.223 -0.319 0.000 2.305 77 L HA 0.494 4.835 4.340 0.001 0.000 0.284 77 L C -0.658 176.003 176.870 -0.348 0.000 1.013 77 L CA -0.011 54.696 54.840 -0.223 0.000 0.819 77 L CB 0.804 42.799 42.059 -0.107 0.000 1.227 77 L HN 0.297 nan 8.230 nan 0.000 0.417 78 F N 1.470 121.397 119.950 -0.037 0.000 2.420 78 F HA 0.315 4.843 4.527 0.001 0.000 0.342 78 F C 0.749 176.565 175.800 0.027 0.000 1.113 78 F CA -0.534 57.459 58.000 -0.012 0.000 1.059 78 F CB 1.198 40.179 39.000 -0.032 0.000 1.128 78 F HN 0.404 nan 8.300 nan 0.000 0.475 79 D N 2.421 122.946 120.400 0.208 0.000 2.308 79 D HA 0.311 4.952 4.640 0.001 0.000 0.251 79 D C 0.915 177.349 176.300 0.224 0.000 1.127 79 D CA 0.447 54.543 54.000 0.159 0.000 0.876 79 D CB 1.275 42.133 40.800 0.097 0.000 1.176 79 D HN 0.510 nan 8.370 nan 0.000 0.446 80 V N 3.714 123.746 119.914 0.198 0.000 0.524 80 V HA -0.427 3.694 4.120 0.001 0.000 0.092 80 V C 1.728 178.084 176.094 0.437 0.000 2.204 80 V CA 2.117 64.573 62.300 0.260 0.000 3.556 80 V CB -2.068 29.890 31.823 0.225 0.000 0.846 80 V HN 0.899 nan 8.190 nan 0.000 0.884 81 G N -0.686 108.362 108.800 0.412 0.000 2.232 81 G HA2 -0.320 3.641 3.960 0.001 0.000 0.226 81 G HA3 -0.320 3.641 3.960 0.001 0.000 0.226 81 G C 0.569 175.528 174.900 0.098 0.000 0.996 81 G CA 1.034 46.300 45.100 0.276 0.000 0.626 81 G HN 1.937 nan 8.290 nan 0.000 0.509 82 H N 1.401 120.422 119.070 -0.082 0.000 2.422 82 H HA -0.077 4.480 4.556 0.001 0.000 0.298 82 H C 2.069 177.230 175.328 -0.279 0.000 1.098 82 H CA 1.755 57.581 56.048 -0.370 0.000 1.315 82 H CB -0.494 28.887 29.762 -0.635 0.000 1.382 82 H HN 0.606 nan 8.280 nan 0.000 0.523 83 Q N 1.422 120.777 119.800 -0.742 0.000 2.482 83 Q HA 0.134 4.475 4.340 0.001 0.000 0.209 83 Q C 0.659 176.440 176.000 -0.366 0.000 0.961 83 Q CA 0.844 56.279 55.803 -0.614 0.000 0.945 83 Q CB -0.255 28.206 28.738 -0.461 0.000 1.012 83 Q HN 0.532 nan 8.270 nan 0.000 0.515 84 A N 0.426 123.012 122.820 -0.390 0.000 3.003 84 A HA 0.287 4.608 4.320 0.001 0.000 0.301 84 A C 0.013 177.539 177.584 -0.097 0.000 1.280 84 A CA -0.629 51.090 52.037 -0.531 0.000 0.973 84 A CB -0.350 17.830 19.000 -1.366 0.000 1.110 84 A HN 0.172 nan 8.150 nan 0.000 0.590 85 Y N -0.213 119.958 120.300 -0.215 0.000 2.263 85 Y HA -0.088 4.462 4.550 0.001 0.000 0.292 85 Y C 2.628 178.469 175.900 -0.098 0.000 1.130 85 Y CA 0.736 58.754 58.100 -0.137 0.000 1.179 85 Y CB -0.754 37.639 38.460 -0.112 0.000 0.998 85 Y HN 0.500 nan 8.280 nan 0.000 0.532 86 A N -0.789 122.083 122.820 0.087 0.000 1.972 86 A HA -0.264 4.057 4.320 0.001 0.000 0.219 86 A C 2.014 179.616 177.584 0.030 0.000 1.169 86 A CA 1.946 54.011 52.037 0.046 0.000 0.635 86 A CB -1.092 17.946 19.000 0.063 0.000 0.810 86 A HN 0.600 nan 8.150 nan 0.000 0.446 87 H N 0.283 119.319 119.070 -0.057 0.000 2.253 87 H HA -0.123 4.434 4.556 0.001 0.000 0.296 87 H C 2.061 177.325 175.328 -0.106 0.000 1.074 87 H CA 2.286 58.314 56.048 -0.034 0.000 1.263 87 H CB 0.039 29.726 29.762 -0.124 0.000 1.363 87 H HN 0.274 nan 8.280 nan 0.000 0.489 88 K N 0.273 120.665 120.400 -0.014 0.000 2.020 88 K HA -0.164 4.157 4.320 0.001 0.000 0.212 88 K C 2.456 178.949 176.600 -0.177 0.000 1.050 88 K CA 1.856 58.088 56.287 -0.090 0.000 0.929 88 K CB -0.586 31.852 32.500 -0.103 0.000 0.714 88 K HN 0.448 nan 8.250 nan 0.000 0.443 89 I N 1.253 121.732 120.570 -0.152 0.000 2.286 89 I HA -0.245 3.926 4.170 0.001 0.000 0.248 89 I C 2.396 178.406 176.117 -0.179 0.000 1.115 89 I CA 0.961 62.173 61.300 -0.147 0.000 1.392 89 I CB -0.303 37.634 38.000 -0.105 0.000 1.065 89 I HN 0.037 nan 8.210 nan 0.000 0.418 90 L N 0.219 121.310 121.223 -0.220 0.000 2.093 90 L HA -0.114 4.227 4.340 0.001 0.000 0.208 90 L C 1.890 178.526 176.870 -0.390 0.000 1.085 90 L CA 1.518 56.193 54.840 -0.276 0.000 0.755 90 L CB -0.830 41.047 42.059 -0.303 0.000 0.904 90 L HN 0.394 nan 8.230 nan 0.000 0.435 91 T N -2.201 112.046 114.554 -0.512 0.000 3.327 91 T HA 0.366 4.716 4.350 0.001 0.000 0.241 91 T C 1.075 175.502 174.700 -0.454 0.000 0.907 91 T CA 0.130 61.847 62.100 -0.638 0.000 0.931 91 T CB -0.132 68.259 68.868 -0.796 0.000 1.112 91 T HN 0.462 nan 8.240 nan 0.000 0.589 92 G N 1.998 110.640 108.800 -0.265 0.000 2.246 92 G HA2 -0.276 3.685 3.960 0.001 0.000 0.273 92 G HA3 -0.276 3.685 3.960 0.001 0.000 0.273 92 G C 0.275 175.132 174.900 -0.072 0.000 1.055 92 G CA -0.150 44.885 45.100 -0.108 0.000 0.851 92 G HN 0.651 nan 8.290 nan 0.000 0.500 93 R N -0.968 119.470 120.500 -0.102 0.000 2.661 93 R HA 0.280 4.621 4.340 0.001 0.000 0.429 93 R C 1.794 178.037 176.300 -0.094 0.000 1.044 93 R CA -0.179 55.874 56.100 -0.079 0.000 1.065 93 R CB 0.304 30.556 30.300 -0.080 0.000 1.377 93 R HN 0.337 nan 8.270 nan 0.000 0.600 94 R N 0.811 121.257 120.500 -0.091 0.000 2.066 94 R HA -0.099 4.242 4.340 0.001 0.000 0.232 94 R C 0.482 176.734 176.300 -0.080 0.000 1.131 94 R CA 1.759 57.800 56.100 -0.098 0.000 0.955 94 R CB 0.192 30.426 30.300 -0.110 0.000 0.851 94 R HN 0.119 nan 8.270 nan 0.000 0.432 95 D N 0.904 121.270 120.400 -0.056 0.000 2.264 95 D HA -0.136 4.505 4.640 0.001 0.000 0.208 95 D C 1.560 177.833 176.300 -0.044 0.000 0.966 95 D CA 0.951 54.926 54.000 -0.042 0.000 0.864 95 D CB 0.046 40.835 40.800 -0.018 0.000 0.933 95 D HN 0.530 nan 8.370 nan 0.000 0.499 96 Q N -0.670 119.098 119.800 -0.053 0.000 2.360 96 Q HA 0.106 4.447 4.340 0.001 0.000 0.202 96 Q C 1.639 177.583 176.000 -0.093 0.000 0.915 96 Q CA -0.024 55.745 55.803 -0.056 0.000 0.943 96 Q CB 0.079 28.794 28.738 -0.039 0.000 1.064 96 Q HN 0.203 nan 8.270 nan 0.000 0.511 97 M N 1.249 120.776 119.600 -0.122 0.000 2.213 97 M HA -0.034 4.447 4.480 0.001 0.000 0.263 97 M C 2.077 178.283 176.300 -0.155 0.000 1.062 97 M CA 1.421 56.609 55.300 -0.186 0.000 1.105 97 M CB -0.904 31.575 32.600 -0.201 0.000 1.385 97 M HN 0.341 nan 8.290 nan 0.000 0.417 98 A N 0.027 122.788 122.820 -0.099 0.000 2.070 98 A HA -0.135 4.186 4.320 0.001 0.000 0.220 98 A C 1.099 178.646 177.584 -0.062 0.000 1.159 98 A CA 1.426 53.421 52.037 -0.069 0.000 0.656 98 A CB -0.409 18.563 19.000 -0.047 0.000 0.800 98 A HN 0.489 nan 8.150 nan 0.000 0.453 99 D N -0.872 119.488 120.400 -0.067 0.000 2.593 99 D HA 0.210 4.851 4.640 0.001 0.000 0.241 99 D C -0.128 176.131 176.300 -0.069 0.000 1.257 99 D CA -0.290 53.682 54.000 -0.046 0.000 0.828 99 D CB 0.084 40.873 40.800 -0.019 0.000 1.049 99 D HN 0.465 nan 8.370 nan 0.000 0.490 100 I N 1.274 121.767 120.570 -0.127 0.000 2.598 100 I HA -0.113 4.058 4.170 0.001 0.000 0.284 100 I C 0.241 176.264 176.117 -0.158 0.000 1.140 100 I CA 0.480 61.665 61.300 -0.192 0.000 1.420 100 I CB 0.038 37.853 38.000 -0.308 0.000 1.387 100 I HN 0.056 nan 8.210 nan 0.000 0.553 101 K N 3.414 123.670 120.400 -0.240 0.000 3.291 101 K HA -0.179 4.142 4.320 0.001 0.000 0.290 101 K C -0.623 175.996 176.600 0.032 0.000 1.235 101 K CA 0.661 56.851 56.287 -0.162 0.000 0.848 101 K CB -1.264 31.183 32.500 -0.088 0.000 1.295 101 K HN 0.575 nan 8.250 nan 0.000 0.497 102 K N 1.099 121.548 120.400 0.082 0.000 2.221 102 K HA 0.239 4.559 4.320 0.001 0.000 0.243 102 K C -0.324 176.397 176.600 0.201 0.000 0.968 102 K CA -0.821 55.536 56.287 0.117 0.000 0.846 102 K CB 1.505 34.036 32.500 0.051 0.000 1.141 102 K HN 0.139 nan 8.250 nan 0.000 0.434 103 E N 0.531 120.795 120.200 0.107 0.000 2.292 103 E HA 0.022 4.373 4.350 0.001 0.000 0.265 103 E C 0.449 177.072 176.600 0.037 0.000 1.093 103 E CA 0.806 57.234 56.400 0.046 0.000 0.922 103 E CB -0.161 29.546 29.700 0.012 0.000 1.001 103 E HN 0.794 nan 8.360 nan 0.000 0.444 104 G N 2.865 111.681 108.800 0.026 0.000 2.213 104 G HA2 -0.222 3.739 3.960 0.001 0.000 0.236 104 G HA3 -0.222 3.739 3.960 0.001 0.000 0.236 104 G C 0.434 175.377 174.900 0.072 0.000 0.991 104 G CA -0.226 44.892 45.100 0.031 0.000 0.629 104 G HN 0.852 nan 8.290 nan 0.000 0.517 105 G N -0.651 108.227 108.800 0.129 0.000 2.531 105 G HA2 0.638 4.599 3.960 0.001 0.000 0.313 105 G HA3 0.638 4.599 3.960 0.001 0.000 0.313 105 G C 0.446 175.446 174.900 0.166 0.000 1.238 105 G CA -0.314 44.850 45.100 0.107 0.000 0.994 105 G HN 0.922 nan 8.290 nan 0.000 0.493 106 I N -0.166 120.427 120.570 0.039 0.000 3.003 106 I HA 0.052 4.223 4.170 0.001 0.000 0.294 106 I C 0.826 176.842 176.117 -0.169 0.000 1.237 106 I CA 0.221 61.514 61.300 -0.012 0.000 1.417 106 I CB 0.927 38.882 38.000 -0.074 0.000 1.340 106 I HN 0.380 nan 8.210 nan 0.000 0.594 107 S N 3.868 119.481 115.700 -0.145 0.000 2.586 107 S HA 0.361 4.832 4.470 0.001 0.000 0.274 107 S C 0.983 175.445 174.600 -0.230 0.000 1.281 107 S CA -0.063 57.930 58.200 -0.346 0.000 1.035 107 S CB 1.403 64.620 63.200 0.028 0.000 0.962 107 S HN 0.838 nan 8.310 nan 0.000 0.512 108 G N 2.661 111.313 108.800 -0.246 0.000 2.679 108 G HA2 0.140 4.101 3.960 0.001 0.000 0.212 108 G HA3 0.140 4.101 3.960 0.001 0.000 0.212 108 G C -0.059 174.598 174.900 -0.406 0.000 1.137 108 G CA 0.356 45.299 45.100 -0.262 0.000 0.787 108 G HN 0.528 nan 8.290 nan 0.000 0.534 109 F N -0.891 119.064 119.950 0.007 0.000 2.579 109 F HA 0.406 4.934 4.527 0.001 0.000 0.324 109 F C 0.544 176.351 175.800 0.012 0.000 1.058 109 F CA -0.966 57.050 58.000 0.027 0.000 0.944 109 F CB 1.301 40.314 39.000 0.022 0.000 1.245 109 F HN -0.337 nan 8.300 nan 0.000 0.477 110 T N 2.220 116.897 114.554 0.205 0.000 2.831 110 T HA 0.083 4.434 4.350 0.001 0.000 0.291 110 T C -0.307 174.483 174.700 0.149 0.000 0.981 110 T CA 0.314 62.495 62.100 0.135 0.000 1.174 110 T CB -0.245 68.700 68.868 0.128 0.000 0.929 110 T HN 0.411 nan 8.240 nan 0.000 0.532 111 K N 3.674 124.150 120.400 0.128 0.000 2.578 111 K HA 0.381 4.702 4.320 0.001 0.000 0.250 111 K C 0.827 177.486 176.600 0.097 0.000 0.955 111 K CA -0.654 55.698 56.287 0.108 0.000 0.825 111 K CB 1.096 33.669 32.500 0.122 0.000 1.151 111 K HN 0.260 nan 8.250 nan 0.000 0.432 112 V N 2.131 122.090 119.914 0.076 0.000 2.324 112 V HA -0.297 3.823 4.120 0.001 0.000 0.250 112 V C 1.769 177.904 176.094 0.068 0.000 1.060 112 V CA 2.439 64.781 62.300 0.069 0.000 1.042 112 V CB -0.527 31.325 31.823 0.049 0.000 0.650 112 V HN 0.844 nan 8.190 nan 0.000 0.450 113 S N -0.360 115.378 115.700 0.065 0.000 2.399 113 S HA -0.263 4.208 4.470 0.001 0.000 0.231 113 S C 1.927 176.569 174.600 0.070 0.000 1.022 113 S CA 1.704 59.940 58.200 0.061 0.000 0.983 113 S CB -0.338 62.897 63.200 0.059 0.000 0.803 113 S HN 0.810 nan 8.310 nan 0.000 0.480 114 E N 0.988 121.240 120.200 0.086 0.000 2.046 114 E HA 0.002 4.353 4.350 0.001 0.000 0.190 114 E C 0.221 176.880 176.600 0.099 0.000 0.982 114 E CA 0.737 57.192 56.400 0.091 0.000 0.800 114 E CB 0.191 29.951 29.700 0.100 0.000 0.756 114 E HN 0.334 nan 8.360 nan 0.000 0.449 115 S N -0.915 114.860 115.700 0.125 0.000 2.603 115 S HA 0.060 4.530 4.470 0.001 0.000 0.274 115 S C 0.042 174.747 174.600 0.174 0.000 1.168 115 S CA -0.458 57.847 58.200 0.174 0.000 0.963 115 S CB 1.426 64.760 63.200 0.224 0.000 1.078 115 S HN 0.368 nan 8.310 nan 0.000 0.477 116 E N 2.428 122.687 120.200 0.099 0.000 2.284 116 E HA -0.268 4.082 4.350 0.001 0.000 0.200 116 E C 0.465 177.026 176.600 -0.065 0.000 1.008 116 E CA 1.917 58.300 56.400 -0.028 0.000 0.829 116 E CB -0.494 29.127 29.700 -0.132 0.000 0.744 116 E HN 0.814 nan 8.360 nan 0.000 0.491 117 H N 0.290 119.431 119.070 0.118 0.000 2.555 117 H HA 0.147 4.704 4.556 0.001 0.000 0.269 117 H C -0.251 175.266 175.328 0.314 0.000 0.988 117 H CA 0.748 56.915 56.048 0.199 0.000 1.178 117 H CB 0.081 29.949 29.762 0.176 0.000 1.373 117 H HN 0.086 nan 8.280 nan 0.000 0.588 118 D N 0.085 120.680 120.400 0.326 0.000 2.412 118 D HA 0.278 4.919 4.640 0.001 0.000 0.224 118 D C 0.825 177.209 176.300 0.140 0.000 1.093 118 D CA -0.054 54.096 54.000 0.250 0.000 0.850 118 D CB 1.343 42.268 40.800 0.208 0.000 1.046 118 D HN 0.261 nan 8.370 nan 0.000 0.507 119 A N 3.740 126.627 122.820 0.111 0.000 1.858 119 A HA -0.006 4.315 4.320 0.001 0.000 0.216 119 A C 1.088 178.701 177.584 0.049 0.000 1.190 119 A CA 1.061 53.130 52.037 0.052 0.000 0.617 119 A CB -0.379 18.630 19.000 0.015 0.000 0.827 119 A HN 0.687 nan 8.150 nan 0.000 0.443 120 I N -5.044 115.563 120.570 0.062 0.000 3.108 120 I HA 0.621 4.791 4.170 0.001 0.000 0.312 120 I C -0.902 175.252 176.117 0.062 0.000 1.095 120 I CA -0.835 60.495 61.300 0.051 0.000 1.000 120 I CB 2.187 40.211 38.000 0.040 0.000 1.229 120 I HN -0.125 nan 8.210 nan 0.000 0.454 121 T N 3.158 117.733 114.554 0.036 0.000 2.795 121 T HA 0.666 5.017 4.350 0.001 0.000 0.282 121 T C -0.257 174.440 174.700 -0.004 0.000 0.980 121 T CA -0.447 61.667 62.100 0.024 0.000 1.012 121 T CB 1.503 70.365 68.868 -0.010 0.000 0.936 121 T HN 0.600 nan 8.240 nan 0.000 0.457 122 V N 0.096 120.009 119.914 -0.002 0.000 3.159 122 V HA 1.052 5.172 4.120 0.001 0.000 0.308 122 V C 0.421 176.345 176.094 -0.282 0.000 1.190 122 V CA -0.423 61.854 62.300 -0.038 0.000 1.037 122 V CB 1.605 33.489 31.823 0.102 0.000 1.060 122 V HN 0.930 nan 8.190 nan 0.000 0.437 123 G N -0.403 108.214 108.800 -0.306 0.000 4.308 123 G HA2 0.110 4.070 3.960 0.001 0.000 0.198 123 G HA3 0.110 4.070 3.960 0.001 0.000 0.198 123 G C -0.098 174.753 174.900 -0.080 0.000 0.980 123 G CA -0.275 44.515 45.100 -0.516 0.000 0.961 123 G HN 0.844 nan 8.290 nan 0.000 0.318 124 H N 1.926 120.964 119.070 -0.053 0.000 2.848 124 H HA 0.546 5.102 4.556 0.001 0.000 0.317 124 H C 0.939 176.211 175.328 -0.092 0.000 1.046 124 H CA -0.126 55.868 56.048 -0.090 0.000 1.470 124 H CB 1.407 31.134 29.762 -0.059 0.000 1.483 124 H HN 0.559 nan 8.280 nan 0.000 0.548 125 A N 2.604 125.410 122.820 -0.022 0.000 2.466 125 A HA 0.203 4.524 4.320 0.001 0.000 0.238 125 A C 0.963 178.534 177.584 -0.022 0.000 1.074 125 A CA 0.184 52.202 52.037 -0.031 0.000 0.774 125 A CB -0.003 18.941 19.000 -0.093 0.000 1.015 125 A HN 0.970 nan 8.150 nan 0.000 0.498 126 S N -1.057 114.642 115.700 -0.001 0.000 3.450 126 S HA -0.207 4.264 4.470 0.001 0.000 0.288 126 S C 0.894 175.493 174.600 -0.001 0.000 1.256 126 S CA 1.448 59.644 58.200 -0.006 0.000 0.910 126 S CB -2.490 60.695 63.200 -0.026 0.000 1.090 126 S HN 1.938 nan 8.310 nan 0.000 0.630 127 T N -1.371 113.191 114.554 0.014 0.000 3.037 127 T HA 0.151 4.502 4.350 0.001 0.000 0.251 127 T C 1.879 176.585 174.700 0.010 0.000 1.079 127 T CA 0.906 63.014 62.100 0.013 0.000 1.067 127 T CB -0.132 68.750 68.868 0.023 0.000 0.948 127 T HN 0.781 nan 8.240 nan 0.000 0.496 128 S N 1.655 117.363 115.700 0.014 0.000 2.419 128 S HA 0.053 4.524 4.470 0.001 0.000 0.233 128 S C 1.905 176.497 174.600 -0.013 0.000 1.016 128 S CA 0.595 58.797 58.200 0.004 0.000 0.974 128 S CB -0.798 62.406 63.200 0.007 0.000 0.786 128 S HN 0.548 nan 8.310 nan 0.000 0.492 129 L N 1.448 122.662 121.223 -0.014 0.000 2.202 129 L HA 0.019 4.360 4.340 0.001 0.000 0.205 129 L C 3.063 179.922 176.870 -0.018 0.000 1.083 129 L CA 1.368 56.195 54.840 -0.023 0.000 0.790 129 L CB -1.159 40.885 42.059 -0.026 0.000 0.942 129 L HN 0.518 nan 8.230 nan 0.000 0.452 130 T N -3.325 111.221 114.554 -0.012 0.000 2.821 130 T HA -0.139 4.212 4.350 0.001 0.000 0.267 130 T C 1.499 176.195 174.700 -0.008 0.000 1.046 130 T CA 1.512 63.605 62.100 -0.011 0.000 1.139 130 T CB -0.497 68.366 68.868 -0.009 0.000 0.871 130 T HN 0.306 nan 8.240 nan 0.000 0.454 131 N N 1.673 120.370 118.700 -0.005 0.000 2.058 131 N HA 0.054 4.795 4.740 0.001 0.000 0.191 131 N C 2.356 177.865 175.510 -0.003 0.000 1.037 131 N CA 1.095 54.145 53.050 -0.001 0.000 0.848 131 N CB -0.387 38.102 38.487 0.003 0.000 1.021 131 N HN 0.488 nan 8.380 nan 0.000 0.422 132 A N 1.205 124.018 122.820 -0.011 0.000 1.892 132 A HA -0.190 4.131 4.320 0.001 0.000 0.218 132 A C 2.112 179.688 177.584 -0.013 0.000 1.188 132 A CA 1.301 53.329 52.037 -0.015 0.000 0.631 132 A CB -1.012 17.970 19.000 -0.030 0.000 0.822 132 A HN 0.318 nan 8.150 nan 0.000 0.447 133 L N 0.103 121.315 121.223 -0.018 0.000 1.978 133 L HA -0.147 4.194 4.340 0.001 0.000 0.218 133 L C 2.420 179.282 176.870 -0.014 0.000 1.075 133 L CA 2.846 57.673 54.840 -0.021 0.000 0.767 133 L CB -1.296 40.752 42.059 -0.020 0.000 0.890 133 L HN 0.312 nan 8.230 nan 0.000 0.434 134 G N -1.251 107.545 108.800 -0.007 0.000 2.402 134 G HA2 -0.318 3.643 3.960 0.001 0.000 0.216 134 G HA3 -0.318 3.643 3.960 0.001 0.000 0.216 134 G C 1.660 176.567 174.900 0.012 0.000 1.162 134 G CA 0.929 46.028 45.100 -0.001 0.000 0.777 134 G HN 0.457 nan 8.290 nan 0.000 0.539 135 M N 0.760 120.375 119.600 0.025 0.000 2.108 135 M HA 0.003 4.484 4.480 0.001 0.000 0.261 135 M C 2.797 179.146 176.300 0.081 0.000 1.066 135 M CA 1.825 57.161 55.300 0.061 0.000 1.107 135 M CB -0.063 32.571 32.600 0.057 0.000 1.356 135 M HN 0.287 nan 8.290 nan 0.000 0.406 136 A N -0.332 122.512 122.820 0.039 0.000 1.898 136 A HA -0.129 4.192 4.320 0.001 0.000 0.216 136 A C 1.918 179.480 177.584 -0.037 0.000 1.181 136 A CA 1.219 53.258 52.037 0.004 0.000 0.620 136 A CB -0.816 18.162 19.000 -0.036 0.000 0.819 136 A HN 0.485 nan 8.150 nan 0.000 0.442 137 L N -0.396 120.810 121.223 -0.028 0.000 2.093 137 L HA -0.039 4.302 4.340 0.001 0.000 0.208 137 L C 2.810 179.654 176.870 -0.044 0.000 1.085 137 L CA 1.797 56.614 54.840 -0.038 0.000 0.755 137 L CB -0.991 41.053 42.059 -0.027 0.000 0.904 137 L HN 0.388 nan 8.230 nan 0.000 0.435 138 A N -0.468 122.335 122.820 -0.029 0.000 1.858 138 A HA -0.231 4.090 4.320 0.001 0.000 0.216 138 A C 2.461 179.999 177.584 -0.076 0.000 1.190 138 A CA 1.648 53.666 52.037 -0.031 0.000 0.617 138 A CB -0.683 18.319 19.000 0.003 0.000 0.827 138 A HN 0.409 nan 8.150 nan 0.000 0.443 139 R N 0.178 120.609 120.500 -0.114 0.000 2.134 139 R HA -0.250 4.091 4.340 0.001 0.000 0.248 139 R C 1.341 177.483 176.300 -0.264 0.000 1.143 139 R CA 2.552 58.466 56.100 -0.309 0.000 0.957 139 R CB -1.012 28.964 30.300 -0.539 0.000 0.867 139 R HN 0.464 nan 8.270 nan 0.000 0.441 140 D N 0.245 120.536 120.400 -0.182 0.000 2.084 140 D HA -0.088 4.553 4.640 0.001 0.000 0.194 140 D C 1.888 178.124 176.300 -0.107 0.000 0.990 140 D CA 1.899 55.815 54.000 -0.140 0.000 0.826 140 D CB -0.468 40.270 40.800 -0.104 0.000 0.971 140 D HN 0.415 nan 8.370 nan 0.000 0.453 141 A N 0.718 123.488 122.820 -0.084 0.000 1.883 141 A HA -0.268 4.053 4.320 0.001 0.000 0.217 141 A C 2.116 179.660 177.584 -0.068 0.000 1.186 141 A CA 1.846 53.845 52.037 -0.064 0.000 0.624 141 A CB -0.857 18.114 19.000 -0.047 0.000 0.822 141 A HN 0.236 nan 8.150 nan 0.000 0.444 142 Q N -1.745 118.006 119.800 -0.083 0.000 2.297 142 Q HA 0.074 4.414 4.340 0.001 0.000 0.208 142 Q C 1.277 177.222 176.000 -0.093 0.000 0.981 142 Q CA 0.880 56.634 55.803 -0.082 0.000 0.876 142 Q CB -0.298 28.383 28.738 -0.095 0.000 0.921 142 Q HN 1.025 nan 8.270 nan 0.000 0.446 143 G N 0.510 109.241 108.800 -0.114 0.000 2.176 143 G HA2 -0.360 3.600 3.960 0.001 0.000 0.252 143 G HA3 -0.360 3.600 3.960 0.001 0.000 0.252 143 G C 0.576 175.391 174.900 -0.142 0.000 1.024 143 G CA 0.733 45.767 45.100 -0.111 0.000 0.755 143 G HN 0.312 nan 8.290 nan 0.000 0.507 144 K N 0.165 120.432 120.400 -0.222 0.000 1.984 144 K HA 0.118 4.439 4.320 0.001 0.000 0.209 144 K C 1.130 177.551 176.600 -0.299 0.000 1.046 144 K CA 1.139 57.253 56.287 -0.288 0.000 0.934 144 K CB -0.025 32.181 32.500 -0.489 0.000 0.717 144 K HN 0.402 nan 8.250 nan 0.000 0.438 145 D N -1.031 119.132 120.400 -0.395 0.000 3.293 145 D HA -0.167 4.474 4.640 0.001 0.000 0.252 145 D C -1.356 174.862 176.300 -0.136 0.000 1.073 145 D CA 0.791 54.648 54.000 -0.238 0.000 0.957 145 D CB -1.326 39.405 40.800 -0.115 0.000 0.987 145 D HN 0.269 nan 8.370 nan 0.000 0.422 146 F N -0.599 119.340 119.950 -0.019 0.000 2.613 146 F HA 0.634 5.162 4.527 0.001 0.000 0.314 146 F C 0.009 175.812 175.800 0.005 0.000 1.075 146 F CA -1.632 56.370 58.000 0.004 0.000 0.945 146 F CB 1.298 40.300 39.000 0.003 0.000 1.310 146 F HN 0.056 nan 8.300 nan 0.000 0.467 147 H N 0.839 120.075 119.070 0.277 0.000 2.548 147 H HA 0.604 5.160 4.556 0.001 0.000 0.331 147 H C -1.199 174.187 175.328 0.097 0.000 1.093 147 H CA -0.409 55.725 56.048 0.144 0.000 1.367 147 H CB 1.651 31.439 29.762 0.044 0.000 1.455 147 H HN 0.602 nan 8.280 nan 0.000 0.519 148 V N 4.379 124.365 119.914 0.119 0.000 2.384 148 V HA 0.559 4.680 4.120 0.001 0.000 0.287 148 V C -0.257 175.921 176.094 0.140 0.000 1.020 148 V CA -0.354 62.003 62.300 0.095 0.000 0.850 148 V CB 1.075 32.924 31.823 0.044 0.000 0.987 148 V HN 0.942 nan 8.190 nan 0.000 0.436 149 A N 4.433 127.281 122.820 0.045 0.000 2.340 149 A HA 0.987 5.308 4.320 0.001 0.000 0.331 149 A C -0.256 177.261 177.584 -0.112 0.000 1.140 149 A CA -0.342 51.681 52.037 -0.024 0.000 0.801 149 A CB 1.649 20.601 19.000 -0.081 0.000 1.234 149 A HN 1.378 nan 8.150 nan 0.000 0.469 150 A N 1.527 124.274 122.820 -0.121 0.000 2.408 150 A HA 0.617 4.938 4.320 0.001 0.000 0.295 150 A C -0.973 176.517 177.584 -0.157 0.000 1.040 150 A CA -0.387 51.557 52.037 -0.154 0.000 0.707 150 A CB 1.132 20.077 19.000 -0.092 0.000 1.235 150 A HN 1.158 nan 8.150 nan 0.000 0.418 151 V N 3.345 123.128 119.914 -0.218 0.000 2.407 151 V HA 0.562 4.683 4.120 0.001 0.000 0.278 151 V C -0.016 176.060 176.094 -0.029 0.000 1.037 151 V CA -0.258 61.967 62.300 -0.125 0.000 0.900 151 V CB 1.131 32.875 31.823 -0.133 0.000 0.983 151 V HN 0.782 nan 8.190 nan 0.000 0.459 152 I N 3.230 123.791 120.570 -0.014 0.000 2.534 152 I HA 0.750 4.921 4.170 0.001 0.000 0.288 152 I C 0.591 176.717 176.117 0.014 0.000 1.077 152 I CA -0.307 61.001 61.300 0.013 0.000 1.051 152 I CB 1.630 39.627 38.000 -0.005 0.000 1.234 152 I HN 0.731 nan 8.210 nan 0.000 0.425 153 G N 4.686 113.512 108.800 0.044 0.000 2.527 153 G HA2 0.088 4.048 3.960 0.001 0.000 0.248 153 G HA3 0.088 4.048 3.960 0.001 0.000 0.248 153 G C 0.784 175.697 174.900 0.022 0.000 1.231 153 G CA 0.090 45.212 45.100 0.037 0.000 0.838 153 G HN 0.825 nan 8.290 nan 0.000 0.570 154 D N 0.890 121.297 120.400 0.011 0.000 2.182 154 D HA -0.134 4.507 4.640 0.001 0.000 0.201 154 D C 2.049 178.370 176.300 0.035 0.000 0.986 154 D CA 1.349 55.362 54.000 0.022 0.000 0.847 154 D CB -0.580 40.233 40.800 0.021 0.000 0.942 154 D HN 0.465 nan 8.370 nan 0.000 0.467 155 G N 0.606 109.426 108.800 0.034 0.000 2.394 155 G HA2 -0.214 3.747 3.960 0.001 0.000 0.214 155 G HA3 -0.214 3.747 3.960 0.001 0.000 0.214 155 G C 1.848 176.753 174.900 0.008 0.000 1.176 155 G CA 0.944 46.058 45.100 0.023 0.000 0.786 155 G HN 0.345 nan 8.290 nan 0.000 0.533 156 S N 0.414 116.123 115.700 0.015 0.000 2.419 156 S HA -0.089 4.382 4.470 0.001 0.000 0.233 156 S C 1.996 176.600 174.600 0.007 0.000 1.016 156 S CA 0.761 58.963 58.200 0.004 0.000 0.974 156 S CB -0.181 63.035 63.200 0.026 0.000 0.786 156 S HN 0.213 nan 8.310 nan 0.000 0.492 157 L N 2.122 123.360 121.223 0.025 0.000 2.465 157 L HA 0.038 4.379 4.340 0.001 0.000 0.224 157 L C 1.770 178.664 176.870 0.040 0.000 1.145 157 L CA 1.353 56.219 54.840 0.042 0.000 0.834 157 L CB -1.238 40.866 42.059 0.075 0.000 0.944 157 L HN 0.170 nan 8.230 nan 0.000 0.451 158 T N -0.434 114.132 114.554 0.020 0.000 3.035 158 T HA 0.041 4.392 4.350 0.001 0.000 0.268 158 T C 1.064 175.760 174.700 -0.007 0.000 1.109 158 T CA 0.586 62.692 62.100 0.008 0.000 1.119 158 T CB -0.682 68.185 68.868 -0.002 0.000 0.900 158 T HN 0.537 nan 8.240 nan 0.000 0.503 159 G N 0.446 109.236 108.800 -0.016 0.000 2.305 159 G HA2 0.363 4.323 3.960 0.001 0.000 0.243 159 G HA3 0.363 4.323 3.960 0.001 0.000 0.243 159 G C 1.183 176.075 174.900 -0.013 0.000 1.288 159 G CA -0.149 44.934 45.100 -0.028 0.000 0.901 159 G HN 0.284 nan 8.290 nan 0.000 0.516 160 G N 2.484 111.272 108.800 -0.020 0.000 2.442 160 G HA2 -0.276 3.685 3.960 0.001 0.000 0.219 160 G HA3 -0.276 3.685 3.960 0.001 0.000 0.219 160 G C 1.572 176.466 174.900 -0.010 0.000 1.141 160 G CA 1.051 46.144 45.100 -0.012 0.000 0.763 160 G HN 0.692 nan 8.290 nan 0.000 0.554 161 M N 0.747 120.336 119.600 -0.019 0.000 2.557 161 M HA 0.301 4.782 4.480 0.001 0.000 0.259 161 M C 2.336 178.631 176.300 -0.009 0.000 1.086 161 M CA 1.305 56.595 55.300 -0.017 0.000 1.096 161 M CB -0.006 32.578 32.600 -0.026 0.000 1.424 161 M HN 0.222 nan 8.290 nan 0.000 0.488 162 A N 1.032 123.850 122.820 -0.003 0.000 1.903 162 A HA 0.079 4.400 4.320 0.001 0.000 0.213 162 A C 1.922 179.517 177.584 0.019 0.000 1.185 162 A CA 0.708 52.748 52.037 0.005 0.000 0.628 162 A CB -0.568 18.439 19.000 0.011 0.000 0.830 162 A HN 0.561 nan 8.150 nan 0.000 0.446 163 L N -0.588 120.654 121.223 0.031 0.000 2.109 163 L HA -0.084 4.257 4.340 0.001 0.000 0.207 163 L C 2.950 179.843 176.870 0.038 0.000 1.086 163 L CA 0.974 55.846 54.840 0.053 0.000 0.760 163 L CB -0.401 41.691 42.059 0.054 0.000 0.910 163 L HN 0.394 nan 8.230 nan 0.000 0.437 164 A N -0.125 122.705 122.820 0.018 0.000 2.067 164 A HA -0.042 4.279 4.320 0.001 0.000 0.219 164 A C 2.464 180.052 177.584 0.006 0.000 1.158 164 A CA 1.434 53.477 52.037 0.010 0.000 0.661 164 A CB -0.466 18.533 19.000 -0.001 0.000 0.801 164 A HN 0.387 nan 8.150 nan 0.000 0.452 165 A N 0.004 122.826 122.820 0.003 0.000 1.854 165 A HA 0.054 4.375 4.320 0.001 0.000 0.214 165 A C 2.059 179.640 177.584 -0.005 0.000 1.192 165 A CA 1.267 53.302 52.037 -0.005 0.000 0.611 165 A CB -0.629 18.364 19.000 -0.010 0.000 0.832 165 A HN 0.428 nan 8.150 nan 0.000 0.442 166 L N 0.153 121.376 121.223 -0.000 0.000 2.081 166 L HA -0.273 4.068 4.340 0.001 0.000 0.212 166 L C 2.504 179.384 176.870 0.016 0.000 1.080 166 L CA 1.564 56.402 54.840 -0.003 0.000 0.754 166 L CB -0.740 41.324 42.059 0.009 0.000 0.893 166 L HN 0.483 nan 8.230 nan 0.000 0.433 167 N N -0.113 118.603 118.700 0.028 0.000 2.037 167 N HA -0.221 4.520 4.740 0.001 0.000 0.196 167 N C 1.818 177.335 175.510 0.012 0.000 1.034 167 N CA 2.509 55.575 53.050 0.025 0.000 0.861 167 N CB -0.274 38.225 38.487 0.021 0.000 1.039 167 N HN 0.481 nan 8.380 nan 0.000 0.427 168 T N -1.764 112.792 114.554 0.003 0.000 2.937 168 T HA 0.127 4.477 4.350 0.001 0.000 0.260 168 T C 2.265 176.959 174.700 -0.010 0.000 1.051 168 T CA 0.562 62.659 62.100 -0.004 0.000 1.141 168 T CB -0.456 68.407 68.868 -0.007 0.000 0.879 168 T HN 0.170 nan 8.240 nan 0.000 0.459 169 I N 2.180 122.742 120.570 -0.014 0.000 2.151 169 I HA -0.149 4.022 4.170 0.001 0.000 0.243 169 I C 2.973 179.078 176.117 -0.021 0.000 1.080 169 I CA 1.665 62.950 61.300 -0.024 0.000 1.339 169 I CB -0.784 37.195 38.000 -0.034 0.000 1.039 169 I HN 0.442 nan 8.210 nan 0.000 0.409 170 G N -0.128 108.666 108.800 -0.011 0.000 2.418 170 G HA2 -0.324 3.637 3.960 0.001 0.000 0.217 170 G HA3 -0.324 3.637 3.960 0.001 0.000 0.217 170 G C 1.297 176.197 174.900 0.000 0.000 1.158 170 G CA 1.175 46.274 45.100 -0.001 0.000 0.771 170 G HN 0.344 nan 8.290 nan 0.000 0.545 171 D N 0.138 120.538 120.400 -0.000 0.000 2.084 171 D HA -0.111 4.530 4.640 0.001 0.000 0.194 171 D C 2.575 178.870 176.300 -0.009 0.000 0.990 171 D CA 0.935 54.934 54.000 -0.002 0.000 0.826 171 D CB -0.131 40.668 40.800 -0.002 0.000 0.971 171 D HN 0.109 nan 8.370 nan 0.000 0.453 172 M N -0.112 119.480 119.600 -0.014 0.000 2.213 172 M HA 0.087 4.567 4.480 0.001 0.000 0.263 172 M C 1.719 178.005 176.300 -0.024 0.000 1.062 172 M CA 1.318 56.605 55.300 -0.020 0.000 1.105 172 M CB -1.616 30.969 32.600 -0.025 0.000 1.385 172 M HN 0.238 nan 8.290 nan 0.000 0.417 173 G N 2.493 111.280 108.800 -0.022 0.000 2.395 173 G HA2 -0.256 3.704 3.960 0.001 0.000 0.300 173 G HA3 -0.256 3.704 3.960 0.001 0.000 0.300 173 G C 0.132 175.011 174.900 -0.034 0.000 0.998 173 G CA 0.199 45.285 45.100 -0.023 0.000 1.046 173 G HN 0.340 nan 8.290 nan 0.000 0.513 174 R N -0.482 119.989 120.500 -0.047 0.000 2.700 174 R HA 0.404 4.745 4.340 0.001 0.000 0.253 174 R C 0.677 176.923 176.300 -0.091 0.000 1.091 174 R CA -0.916 55.145 56.100 -0.066 0.000 1.104 174 R CB 0.535 30.793 30.300 -0.071 0.000 1.202 174 R HN 0.339 nan 8.270 nan 0.000 0.532 175 K N 1.564 121.886 120.400 -0.131 0.000 2.395 175 K HA 0.129 4.450 4.320 0.001 0.000 0.283 175 K C -0.014 176.374 176.600 -0.354 0.000 1.068 175 K CA 0.789 56.942 56.287 -0.224 0.000 1.039 175 K CB 0.188 32.533 32.500 -0.259 0.000 0.924 175 K HN 0.325 nan 8.250 nan 0.000 0.468 176 M N 3.473 122.916 119.600 -0.262 0.000 2.365 176 M HA 0.245 4.726 4.480 0.001 0.000 0.288 176 M C -1.765 174.597 176.300 0.104 0.000 1.152 176 M CA -0.907 54.309 55.300 -0.139 0.000 0.948 176 M CB 2.072 34.623 32.600 -0.082 0.000 1.729 176 M HN 0.403 nan 8.290 nan 0.000 0.487 177 L N 4.418 125.783 121.223 0.236 0.000 2.325 177 L HA 0.685 5.026 4.340 0.001 0.000 0.281 177 L C -1.604 175.272 176.870 0.009 0.000 1.004 177 L CA -0.098 54.821 54.840 0.131 0.000 0.823 177 L CB 1.323 43.441 42.059 0.098 0.000 1.236 177 L HN 0.632 nan 8.230 nan 0.000 0.415 178 I N 5.829 126.373 120.570 -0.043 0.000 2.355 178 I HA 0.321 4.492 4.170 0.001 0.000 0.288 178 I C -0.623 175.441 176.117 -0.088 0.000 0.999 178 I CA -0.755 60.499 61.300 -0.077 0.000 1.163 178 I CB 1.749 39.688 38.000 -0.102 0.000 1.316 178 I HN 0.222 nan 8.210 nan 0.000 0.454 179 V N 7.392 127.255 119.914 -0.085 0.000 2.353 179 V HA 0.134 4.255 4.120 0.001 0.000 0.264 179 V C 0.053 176.102 176.094 -0.075 0.000 1.049 179 V CA -0.507 61.747 62.300 -0.077 0.000 0.896 179 V CB 1.193 32.977 31.823 -0.065 0.000 1.025 179 V HN 0.403 nan 8.190 nan 0.000 0.475 180 L N 6.021 127.190 121.223 -0.090 0.000 2.385 180 L HA 0.372 4.713 4.340 0.001 0.000 0.285 180 L C 0.443 177.223 176.870 -0.150 0.000 1.125 180 L CA 0.265 55.037 54.840 -0.114 0.000 0.890 180 L CB 0.163 42.148 42.059 -0.123 0.000 1.251 180 L HN 0.583 nan 8.230 nan 0.000 0.445 181 N N 3.204 121.854 118.700 -0.083 0.000 2.402 181 N HA 0.013 4.754 4.740 0.001 0.000 0.259 181 N C -0.966 174.494 175.510 -0.083 0.000 1.167 181 N CA -0.014 53.001 53.050 -0.058 0.000 0.949 181 N CB 0.149 38.639 38.487 0.005 0.000 1.212 181 N HN 0.498 nan 8.380 nan 0.000 0.493 182 D N 2.170 122.486 120.400 -0.139 0.000 2.493 182 D HA 0.138 4.779 4.640 0.001 0.000 0.235 182 D C 0.599 176.902 176.300 0.005 0.000 1.117 182 D CA -0.436 53.506 54.000 -0.096 0.000 0.930 182 D CB 0.066 40.730 40.800 -0.227 0.000 1.010 182 D HN 0.529 nan 8.370 nan 0.000 0.514 183 N N 2.971 121.681 118.700 0.017 0.000 2.280 183 N HA -0.045 4.696 4.740 0.001 0.000 0.192 183 N C 0.161 175.700 175.510 0.048 0.000 1.109 183 N CA 0.024 53.093 53.050 0.033 0.000 0.855 183 N CB 0.041 38.552 38.487 0.039 0.000 0.974 183 N HN 0.510 nan 8.380 nan 0.000 0.482 184 E N -0.961 119.271 120.200 0.054 0.000 3.680 184 E HA -0.210 4.141 4.350 0.001 0.000 0.309 184 E C -0.365 176.269 176.600 0.058 0.000 0.793 184 E CA 0.995 57.431 56.400 0.060 0.000 1.083 184 E CB -0.803 28.935 29.700 0.064 0.000 1.548 184 E HN 0.491 nan 8.360 nan 0.000 0.456 185 M N -0.267 119.367 119.600 0.058 0.000 2.598 185 M HA 0.287 4.768 4.480 0.001 0.000 0.317 185 M C 0.060 176.399 176.300 0.065 0.000 1.201 185 M CA -0.123 55.214 55.300 0.062 0.000 0.971 185 M CB 1.930 34.569 32.600 0.065 0.000 1.657 185 M HN -0.016 nan 8.290 nan 0.000 0.470 186 S N 0.841 116.581 115.700 0.066 0.000 2.584 186 S HA 0.303 4.774 4.470 0.001 0.000 0.189 186 S C 0.480 175.112 174.600 0.054 0.000 0.869 186 S CA -0.546 57.689 58.200 0.059 0.000 1.097 186 S CB -0.230 62.995 63.200 0.043 0.000 1.677 186 S HN 0.916 nan 8.310 nan 0.000 0.460 187 I N -0.156 120.457 120.570 0.072 0.000 4.567 187 I HA -0.480 3.690 4.170 0.001 0.000 0.056 187 I C 2.136 178.301 176.117 0.080 0.000 0.615 187 I CA 2.230 63.577 61.300 0.078 0.000 0.862 187 I CB -1.728 36.314 38.000 0.069 0.000 0.785 187 I HN 0.514 nan 8.210 nan 0.000 0.165 188 S N -0.721 115.024 115.700 0.075 0.000 2.321 188 S HA 0.103 4.574 4.470 0.001 0.000 0.188 188 S C 0.817 175.467 174.600 0.084 0.000 1.080 188 S CA 1.380 59.634 58.200 0.091 0.000 1.198 188 S CB 0.319 63.582 63.200 0.105 0.000 0.926 188 S HN 0.554 nan 8.310 nan 0.000 0.426 189 E N -0.827 119.420 120.200 0.078 0.000 2.267 189 E HA 0.333 4.684 4.350 0.001 0.000 0.110 189 E C -1.227 175.410 176.600 0.062 0.000 1.938 189 E CA -0.547 55.896 56.400 0.072 0.000 1.137 189 E CB 0.420 30.169 29.700 0.081 0.000 1.617 189 E HN 0.146 nan 8.360 nan 0.000 0.744 190 N N -0.401 118.336 118.700 0.062 0.000 2.485 190 N HA 0.649 5.390 4.740 0.001 0.000 0.280 190 N C -1.340 174.198 175.510 0.047 0.000 1.205 190 N CA -0.343 52.739 53.050 0.053 0.000 0.959 190 N CB 1.850 40.368 38.487 0.052 0.000 1.206 190 N HN 0.249 nan 8.380 nan 0.000 0.545 246 N N -0.331 118.201 118.700 -0.280 0.000 2.771 246 N HA -0.107 4.634 4.740 0.001 0.000 0.249 246 N C -2.379 172.789 175.510 -0.571 0.000 1.069 246 N CA 0.740 53.491 53.050 -0.498 0.000 0.688 246 N CB -1.146 36.830 38.487 -0.852 0.000 0.928 246 N HN 0.378 nan 8.380 nan 0.000 0.551 247 P HA -0.220 nan 4.420 nan 0.000 0.021 247 P C -0.012 177.140 177.300 -0.248 0.000 0.652 247 P CA 1.107 64.057 63.100 -0.249 0.000 1.027 247 P CB -0.618 30.943 31.700 -0.232 0.000 1.888 248 F N -1.997 117.932 119.950 -0.034 0.000 2.704 248 F HA 0.297 4.825 4.527 0.001 0.000 0.304 248 F C 2.166 177.977 175.800 0.019 0.000 1.094 248 F CA 0.023 58.031 58.000 0.014 0.000 1.275 248 F CB -0.794 38.245 39.000 0.065 0.000 1.073 248 F HN 0.012 nan 8.300 nan 0.000 0.586 249 A N 0.280 123.183 122.820 0.138 0.000 1.933 249 A HA -0.030 4.291 4.320 0.001 0.000 0.218 249 A C 2.364 179.989 177.584 0.068 0.000 1.175 249 A CA 1.896 53.984 52.037 0.084 0.000 0.628 249 A CB -0.904 18.115 19.000 0.031 0.000 0.814 249 A HN 0.227 nan 8.150 nan 0.000 0.444 250 A N -1.582 121.272 122.820 0.057 0.000 2.123 250 A HA 0.188 4.509 4.320 0.001 0.000 0.214 250 A C 1.999 179.624 177.584 0.069 0.000 1.152 250 A CA 1.027 53.092 52.037 0.046 0.000 0.728 250 A CB -0.299 18.715 19.000 0.023 0.000 0.814 250 A HN 0.416 nan 8.150 nan 0.000 0.464 251 M N -1.411 118.260 119.600 0.118 0.000 2.349 251 M HA 0.084 4.565 4.480 0.001 0.000 0.266 251 M C 1.524 177.875 176.300 0.085 0.000 1.076 251 M CA 1.309 56.685 55.300 0.125 0.000 1.126 251 M CB -0.861 31.874 32.600 0.224 0.000 1.392 251 M HN 0.763 nan 8.290 nan 0.000 0.440 252 G N 1.299 110.153 108.800 0.090 0.000 2.149 252 G HA2 -0.164 3.797 3.960 0.001 0.000 0.235 252 G HA3 -0.164 3.797 3.960 0.001 0.000 0.235 252 G C -0.228 174.702 174.900 0.051 0.000 1.018 252 G CA 0.010 45.146 45.100 0.061 0.000 0.728 252 G HN 0.341 nan 8.290 nan 0.000 0.508 253 V N 0.366 120.321 119.914 0.069 0.000 2.487 253 V HA 0.475 4.596 4.120 0.001 0.000 0.298 253 V C 0.980 177.118 176.094 0.074 0.000 1.028 253 V CA -1.195 61.124 62.300 0.032 0.000 0.860 253 V CB 1.809 33.606 31.823 -0.043 0.000 0.991 253 V HN 0.432 nan 8.190 nan 0.000 0.427 254 R N 3.300 123.833 120.500 0.056 0.000 2.507 254 R HA 0.006 4.347 4.340 0.001 0.000 0.341 254 R C -1.070 175.294 176.300 0.107 0.000 0.960 254 R CA 0.049 56.198 56.100 0.082 0.000 1.032 254 R CB -0.071 30.253 30.300 0.040 0.000 0.933 254 R HN 0.740 nan 8.270 nan 0.000 0.418 255 Y N 4.368 124.711 120.300 0.071 0.000 2.316 255 Y HA 0.297 4.847 4.550 0.001 0.000 0.331 255 Y C -0.806 175.143 175.900 0.082 0.000 1.083 255 Y CA -0.248 57.915 58.100 0.105 0.000 1.206 255 Y CB 1.067 39.664 38.460 0.228 0.000 1.195 255 Y HN 0.224 nan 8.280 nan 0.000 0.497 256 V N 6.133 125.807 119.914 -0.400 0.000 2.638 256 V HA 0.855 4.976 4.120 0.001 0.000 0.306 256 V C 0.109 175.957 176.094 -0.410 0.000 1.052 256 V CA 0.073 62.229 62.300 -0.240 0.000 0.885 256 V CB 1.033 32.792 31.823 -0.107 0.000 0.999 256 V HN 1.177 nan 8.190 nan 0.000 0.424 257 G N 5.987 114.703 108.800 -0.139 0.000 2.280 257 G HA2 0.108 4.069 3.960 0.001 0.000 0.277 257 G HA3 0.108 4.069 3.960 0.001 0.000 0.277 257 G C -3.213 171.756 174.900 0.114 0.000 1.288 257 G CA -0.306 44.761 45.100 -0.056 0.000 1.075 257 G HN 0.684 nan 8.290 nan 0.000 0.480 258 P HA 0.685 nan 4.420 nan 0.000 0.276 258 P C -0.520 176.781 177.300 0.001 0.000 1.252 258 P CA -0.392 62.662 63.100 -0.076 0.000 0.802 258 P CB 1.591 33.105 31.700 -0.310 0.000 1.035 259 V N -1.027 118.913 119.914 0.043 0.000 3.078 259 V HA 0.299 4.419 4.120 0.001 0.000 0.311 259 V C -0.378 175.742 176.094 0.044 0.000 1.138 259 V CA -0.944 61.382 62.300 0.043 0.000 1.007 259 V CB 1.760 33.615 31.823 0.053 0.000 1.045 259 V HN 0.563 nan 8.190 nan 0.000 0.432 260 D N 1.610 122.024 120.400 0.023 0.000 2.390 260 D HA 0.388 5.029 4.640 0.001 0.000 0.249 260 D C 0.829 177.128 176.300 -0.002 0.000 1.144 260 D CA 0.625 54.621 54.000 -0.006 0.000 0.880 260 D CB 1.542 42.343 40.800 0.001 0.000 1.182 260 D HN 0.857 nan 8.370 nan 0.000 0.451 261 G N 2.535 111.297 108.800 -0.063 0.000 3.959 261 G HA2 0.043 4.004 3.960 0.001 0.000 0.298 261 G HA3 0.043 4.004 3.960 0.001 0.000 0.298 261 G C 0.295 175.234 174.900 0.066 0.000 1.211 261 G CA -0.254 44.838 45.100 -0.014 0.000 1.001 261 G HN 0.526 nan 8.290 nan 0.000 0.561 262 H N -0.635 118.454 119.070 0.031 0.000 3.017 262 H HA 0.143 4.699 4.556 0.001 0.000 0.255 262 H C 0.739 176.074 175.328 0.012 0.000 0.990 262 H CA -0.501 55.560 56.048 0.021 0.000 1.205 262 H CB 0.431 30.205 29.762 0.019 0.000 1.460 262 H HN 0.417 nan 8.280 nan 0.000 0.478 263 N N 1.767 120.544 118.700 0.128 0.000 2.399 263 N HA 0.002 4.743 4.740 0.001 0.000 0.259 263 N C 1.251 176.792 175.510 0.051 0.000 1.160 263 N CA -0.080 53.007 53.050 0.063 0.000 0.946 263 N CB 1.270 39.778 38.487 0.034 0.000 1.156 263 N HN -0.048 nan 8.380 nan 0.000 0.489 264 V N 4.284 124.217 119.914 0.031 0.000 2.626 264 V HA -0.210 3.911 4.120 0.001 0.000 0.252 264 V C 2.033 178.121 176.094 -0.009 0.000 1.067 264 V CA 1.816 64.125 62.300 0.015 0.000 1.081 264 V CB -0.224 31.595 31.823 -0.007 0.000 0.686 264 V HN 0.754 nan 8.190 nan 0.000 0.468 265 Q N 0.007 119.796 119.800 -0.018 0.000 2.096 265 Q HA -0.189 4.152 4.340 0.001 0.000 0.197 265 Q C 2.067 178.091 176.000 0.040 0.000 0.964 265 Q CA 1.644 57.431 55.803 -0.026 0.000 0.838 265 Q CB -0.133 28.580 28.738 -0.042 0.000 0.906 265 Q HN 0.919 nan 8.270 nan 0.000 0.444 266 E N 0.786 121.011 120.200 0.042 0.000 2.418 266 E HA -0.122 4.229 4.350 0.001 0.000 0.197 266 E C 1.591 178.309 176.600 0.196 0.000 1.026 266 E CA 0.741 57.194 56.400 0.088 0.000 0.862 266 E CB -0.254 29.450 29.700 0.005 0.000 0.799 266 E HN 0.286 nan 8.360 nan 0.000 0.518 267 L N 0.165 121.466 121.223 0.129 0.000 2.127 267 L HA -0.036 4.305 4.340 0.001 0.000 0.203 267 L C 2.337 179.275 176.870 0.113 0.000 1.080 267 L CA 0.429 55.339 54.840 0.116 0.000 0.768 267 L CB -0.311 41.793 42.059 0.075 0.000 0.924 267 L HN 0.082 nan 8.230 nan 0.000 0.444 268 V N -0.613 119.361 119.914 0.101 0.000 2.332 268 V HA -0.311 3.809 4.120 0.001 0.000 0.248 268 V C 2.147 178.324 176.094 0.140 0.000 1.055 268 V CA 2.138 64.497 62.300 0.097 0.000 1.038 268 V CB -0.687 31.147 31.823 0.018 0.000 0.651 268 V HN 0.659 nan 8.190 nan 0.000 0.450 269 W N 0.406 121.704 121.300 -0.003 0.000 2.335 269 W HA -0.208 4.453 4.660 0.001 0.000 0.311 269 W C 2.139 178.658 176.519 -0.001 0.000 1.213 269 W CA 1.852 59.198 57.345 0.002 0.000 1.274 269 W CB -0.323 29.134 29.460 -0.005 0.000 1.148 269 W HN 0.150 nan 8.180 nan 0.000 0.498 270 L N 0.081 121.288 121.223 -0.026 0.000 2.005 270 L HA -0.227 4.114 4.340 0.001 0.000 0.207 270 L C 2.545 179.266 176.870 -0.249 0.000 1.072 270 L CA 1.495 56.176 54.840 -0.265 0.000 0.744 270 L CB -1.001 41.056 42.059 -0.004 0.000 0.895 270 L HN 0.003 nan 8.230 nan 0.000 0.433 271 L N -0.609 120.539 121.223 -0.124 0.000 2.349 271 L HA -0.207 4.134 4.340 0.001 0.000 0.220 271 L C 2.201 178.979 176.870 -0.153 0.000 1.130 271 L CA 0.952 55.715 54.840 -0.128 0.000 0.791 271 L CB -0.546 41.470 42.059 -0.072 0.000 0.918 271 L HN 0.311 nan 8.230 nan 0.000 0.444 272 E N -0.048 120.057 120.200 -0.158 0.000 2.208 272 E HA -0.128 4.223 4.350 0.001 0.000 0.193 272 E C 1.824 178.304 176.600 -0.199 0.000 0.988 272 E CA 0.628 56.938 56.400 -0.151 0.000 0.828 272 E CB 0.180 29.810 29.700 -0.118 0.000 0.763 272 E HN 0.318 nan 8.360 nan 0.000 0.478 273 R N -0.718 119.611 120.500 -0.285 0.000 2.437 273 R HA 0.253 4.593 4.340 0.001 0.000 0.257 273 R C 1.481 177.654 176.300 -0.211 0.000 0.927 273 R CA 0.055 55.991 56.100 -0.274 0.000 1.078 273 R CB 0.607 30.659 30.300 -0.413 0.000 1.161 273 R HN 0.065 nan 8.270 nan 0.000 0.529 274 L N -1.143 119.959 121.223 -0.201 0.000 2.500 274 L HA 0.127 4.468 4.340 0.001 0.000 0.219 274 L C 1.438 178.219 176.870 -0.148 0.000 1.057 274 L CA 0.243 54.992 54.840 -0.151 0.000 0.854 274 L CB 0.198 42.171 42.059 -0.143 0.000 1.078 274 L HN -0.070 nan 8.230 nan 0.000 0.480 275 V N 0.020 119.784 119.914 -0.249 0.000 2.913 275 V HA -0.235 3.886 4.120 0.001 0.000 0.260 275 V C 1.939 177.915 176.094 -0.198 0.000 1.098 275 V CA 1.618 63.620 62.300 -0.497 0.000 1.121 275 V CB -0.344 31.153 31.823 -0.544 0.000 0.714 275 V HN 0.394 nan 8.190 nan 0.000 0.487 276 D N -0.375 119.975 120.400 -0.083 0.000 2.194 276 D HA 0.020 4.661 4.640 0.001 0.000 0.204 276 D C 1.099 177.424 176.300 0.042 0.000 0.964 276 D CA 0.455 54.451 54.000 -0.006 0.000 0.846 276 D CB 0.049 40.825 40.800 -0.041 0.000 0.962 276 D HN 0.325 nan 8.370 nan 0.000 0.490 277 L N 0.590 121.834 121.223 0.036 0.000 2.456 277 L HA 0.090 4.430 4.340 0.001 0.000 0.246 277 L C 0.597 177.490 176.870 0.038 0.000 1.238 277 L CA -0.099 54.756 54.840 0.026 0.000 0.826 277 L CB 0.296 42.359 42.059 0.007 0.000 1.150 277 L HN -0.085 nan 8.230 nan 0.000 0.514 278 D N -0.116 120.293 120.400 0.015 0.000 2.163 278 D HA 0.484 5.124 4.640 0.001 0.000 0.248 278 D C 0.305 176.605 176.300 0.000 0.000 1.035 278 D CA 0.638 54.640 54.000 0.003 0.000 0.872 278 D CB 1.712 42.511 40.800 -0.002 0.000 1.183 278 D HN 0.720 nan 8.370 nan 0.000 0.445 279 G N 2.255 111.047 108.800 -0.013 0.000 2.741 279 G HA2 -0.153 3.807 3.960 0.001 0.000 0.222 279 G HA3 -0.153 3.807 3.960 0.001 0.000 0.222 279 G C -2.889 172.000 174.900 -0.020 0.000 1.364 279 G CA -0.998 44.092 45.100 -0.017 0.000 0.866 279 G HN 0.418 nan 8.290 nan 0.000 0.555 280 P HA 0.546 nan 4.420 nan 0.000 0.286 280 P C -0.462 176.828 177.300 -0.016 0.000 1.261 280 P CA -0.114 62.970 63.100 -0.027 0.000 0.821 280 P CB 1.707 33.384 31.700 -0.037 0.000 1.013 281 T N 2.500 117.045 114.554 -0.015 0.000 2.887 281 T HA 0.625 4.976 4.350 0.001 0.000 0.288 281 T C -0.005 174.651 174.700 -0.073 0.000 1.021 281 T CA -0.379 61.704 62.100 -0.028 0.000 1.000 281 T CB 0.746 69.609 68.868 -0.008 0.000 1.034 281 T HN 0.213 nan 8.240 nan 0.000 0.467 282 I N 2.911 123.418 120.570 -0.105 0.000 2.436 282 I HA 0.457 4.628 4.170 0.001 0.000 0.289 282 I C -1.159 174.834 176.117 -0.208 0.000 1.010 282 I CA -0.968 60.235 61.300 -0.161 0.000 1.098 282 I CB 1.840 39.708 38.000 -0.220 0.000 1.266 282 I HN 0.301 nan 8.210 nan 0.000 0.434 283 L N 6.945 128.068 121.223 -0.166 0.000 2.353 283 L HA 0.386 4.726 4.340 0.001 0.000 0.270 283 L C -0.564 176.251 176.870 -0.092 0.000 1.003 283 L CA -0.201 54.545 54.840 -0.157 0.000 0.862 283 L CB 0.730 42.729 42.059 -0.099 0.000 1.221 283 L HN 0.521 nan 8.230 nan 0.000 0.430 284 H N 5.540 124.470 119.070 -0.233 0.000 2.934 284 H HA 0.500 5.056 4.556 0.001 0.000 0.273 284 H C -0.310 174.998 175.328 -0.033 0.000 1.121 284 H CA -0.537 55.467 56.048 -0.074 0.000 1.451 284 H CB 0.496 30.265 29.762 0.012 0.000 1.469 284 H HN 0.688 nan 8.280 nan 0.000 0.476 285 I N 2.883 123.518 120.570 0.107 0.000 2.377 285 I HA 0.438 4.608 4.170 0.001 0.000 0.293 285 I C -1.063 175.113 176.117 0.099 0.000 0.987 285 I CA -1.113 60.249 61.300 0.104 0.000 1.185 285 I CB 1.826 39.845 38.000 0.032 0.000 1.341 285 I HN 0.201 nan 8.210 nan 0.000 0.455 286 V N 5.252 125.219 119.914 0.089 0.000 2.383 286 V HA 0.507 4.628 4.120 0.001 0.000 0.275 286 V C 0.553 176.561 176.094 -0.143 0.000 1.036 286 V CA -0.081 62.240 62.300 0.035 0.000 0.889 286 V CB 0.891 32.747 31.823 0.054 0.000 0.985 286 V HN 0.994 nan 8.190 nan 0.000 0.459 287 T N 0.724 115.193 114.554 -0.142 0.000 2.916 287 T HA 0.578 4.928 4.350 0.001 0.000 0.292 287 T C -0.319 174.325 174.700 -0.093 0.000 1.064 287 T CA -0.742 61.191 62.100 -0.278 0.000 1.011 287 T CB 1.949 70.775 68.868 -0.070 0.000 1.152 287 T HN 0.427 nan 8.240 nan 0.000 0.510 288 T N 1.825 116.422 114.554 0.072 0.000 2.772 288 T HA 0.401 4.752 4.350 0.001 0.000 0.288 288 T C -0.073 174.735 174.700 0.179 0.000 0.994 288 T CA -0.641 61.563 62.100 0.174 0.000 0.951 288 T CB 0.895 69.899 68.868 0.227 0.000 0.933 288 T HN 0.613 nan 8.240 nan 0.000 0.447 289 K N 2.592 123.053 120.400 0.102 0.000 2.448 289 K HA 0.423 4.743 4.320 0.001 0.000 0.278 289 K C 0.846 177.482 176.600 0.059 0.000 1.009 289 K CA 0.831 57.162 56.287 0.074 0.000 0.995 289 K CB 0.072 32.609 32.500 0.061 0.000 0.917 289 K HN 0.940 nan 8.250 nan 0.000 0.481 322 Y N 2.559 122.836 120.300 -0.038 0.000 2.490 322 Y HA 0.455 5.005 4.550 0.001 0.000 0.346 322 Y C 0.640 176.483 175.900 -0.095 0.000 1.023 322 Y CA -0.307 57.752 58.100 -0.067 0.000 1.142 322 Y CB 0.875 39.273 38.460 -0.103 0.000 1.126 322 Y HN 0.387 nan 8.280 nan 0.000 0.647 323 S N -0.682 114.968 115.700 -0.082 0.000 2.587 323 S HA -0.087 4.384 4.470 0.001 0.000 0.260 323 S C 1.137 175.697 174.600 -0.067 0.000 1.353 323 S CA -0.404 57.780 58.200 -0.028 0.000 0.995 323 S CB 0.534 63.761 63.200 0.045 0.000 0.912 323 S HN 0.752 nan 8.310 nan 0.000 0.568 324 W N 0.902 122.190 121.300 -0.020 0.000 2.338 324 W HA -0.135 4.525 4.660 0.001 0.000 0.304 324 W C 2.997 179.426 176.519 -0.150 0.000 1.212 324 W CA 1.502 58.785 57.345 -0.103 0.000 1.264 324 W CB -0.629 28.816 29.460 -0.026 0.000 1.142 324 W HN 0.742 nan 8.180 nan 0.000 0.512 325 S N 0.156 116.016 115.700 0.266 0.000 2.365 325 S HA -0.303 4.168 4.470 0.001 0.000 0.225 325 S C 1.920 176.600 174.600 0.134 0.000 1.039 325 S CA 1.712 60.069 58.200 0.262 0.000 1.033 325 S CB -0.992 62.359 63.200 0.251 0.000 0.887 325 S HN 0.335 nan 8.310 nan 0.000 0.447 326 A N 1.125 123.902 122.820 -0.073 0.000 1.978 326 A HA 0.080 4.401 4.320 0.001 0.000 0.220 326 A C 2.284 179.604 177.584 -0.441 0.000 1.170 326 A CA 1.775 53.624 52.037 -0.313 0.000 0.636 326 A CB -0.877 17.774 19.000 -0.581 0.000 0.810 326 A HN 0.539 nan 8.150 nan 0.000 0.448 327 A N -1.097 121.509 122.820 -0.357 0.000 1.898 327 A HA 0.123 4.444 4.320 0.001 0.000 0.214 327 A C 1.978 179.585 177.584 0.038 0.000 1.183 327 A CA 1.317 53.291 52.037 -0.104 0.000 0.622 327 A CB -0.675 18.370 19.000 0.075 0.000 0.824 327 A HN 0.698 nan 8.150 nan 0.000 0.444 328 F N 1.444 121.358 119.950 -0.059 0.000 2.026 328 F HA -0.089 4.439 4.527 0.001 0.000 0.296 328 F C 2.294 178.143 175.800 0.081 0.000 1.133 328 F CA 1.929 59.938 58.000 0.014 0.000 1.188 328 F CB -0.947 38.085 39.000 0.054 0.000 0.968 328 F HN 0.183 nan 8.300 nan 0.000 0.476 329 G N -0.223 108.500 108.800 -0.129 0.000 2.469 329 G HA2 -0.323 3.637 3.960 0.001 0.000 0.219 329 G HA3 -0.323 3.637 3.960 0.001 0.000 0.219 329 G C 1.647 176.506 174.900 -0.068 0.000 1.150 329 G CA 0.966 45.962 45.100 -0.175 0.000 0.763 329 G HN 0.509 nan 8.290 nan 0.000 0.561 330 E N 0.345 120.528 120.200 -0.029 0.000 2.051 330 E HA -0.087 4.264 4.350 0.001 0.000 0.192 330 E C 2.945 179.599 176.600 0.090 0.000 0.991 330 E CA 0.964 57.394 56.400 0.051 0.000 0.799 330 E CB -0.185 29.561 29.700 0.078 0.000 0.748 330 E HN 0.357 nan 8.360 nan 0.000 0.449 331 A N 0.726 123.570 122.820 0.041 0.000 1.898 331 A HA -0.152 4.169 4.320 0.001 0.000 0.216 331 A C 2.414 180.199 177.584 0.335 0.000 1.181 331 A CA 1.840 53.962 52.037 0.141 0.000 0.620 331 A CB -0.728 18.308 19.000 0.059 0.000 0.819 331 A HN 0.243 nan 8.150 nan 0.000 0.442 332 V N -2.206 117.739 119.914 0.051 0.000 2.307 332 V HA -0.177 3.944 4.120 0.001 0.000 0.245 332 V C 2.342 178.683 176.094 0.412 0.000 1.045 332 V CA 2.396 64.788 62.300 0.153 0.000 1.024 332 V CB -2.055 29.609 31.823 -0.265 0.000 0.651 332 V HN 0.425 nan 8.190 nan 0.000 0.449 333 T N 0.299 115.124 114.554 0.451 0.000 2.653 333 T HA -0.306 4.045 4.350 0.001 0.000 0.268 333 T C 1.811 176.720 174.700 0.348 0.000 1.035 333 T CA 2.372 64.729 62.100 0.429 0.000 1.154 333 T CB -0.368 68.678 68.868 0.295 0.000 0.862 333 T HN 0.768 nan 8.240 nan 0.000 0.441 334 E N -0.044 120.358 120.200 0.337 0.000 2.038 334 E HA -0.176 4.175 4.350 0.001 0.000 0.195 334 E C 2.077 178.892 176.600 0.359 0.000 1.000 334 E CA 1.251 57.868 56.400 0.362 0.000 0.803 334 E CB -0.247 29.728 29.700 0.458 0.000 0.750 334 E HN 0.663 nan 8.360 nan 0.000 0.448 335 W N 1.169 122.613 121.300 0.241 0.000 2.333 335 W HA -0.208 4.453 4.660 0.001 0.000 0.316 335 W C 1.992 178.473 176.519 -0.064 0.000 1.215 335 W CA 1.987 59.333 57.345 0.001 0.000 1.278 335 W CB -0.493 28.959 29.460 -0.013 0.000 1.154 335 W HN 0.224 nan 8.180 nan 0.000 0.486 336 A N 0.543 123.417 122.820 0.090 0.000 2.225 336 A HA -0.187 4.134 4.320 0.001 0.000 0.215 336 A C 1.934 179.376 177.584 -0.237 0.000 1.164 336 A CA 1.629 53.557 52.037 -0.182 0.000 0.710 336 A CB -0.733 18.040 19.000 -0.379 0.000 0.780 336 A HN 0.412 nan 8.150 nan 0.000 0.473 337 K N -0.570 119.795 120.400 -0.059 0.000 2.097 337 K HA -0.107 4.213 4.320 0.001 0.000 0.205 337 K C 1.859 178.410 176.600 -0.081 0.000 1.050 337 K CA 1.732 58.062 56.287 0.072 0.000 0.938 337 K CB -0.050 32.515 32.500 0.108 0.000 0.718 337 K HN 0.677 nan 8.250 nan 0.000 0.442 338 T N -2.470 111.945 114.554 -0.232 0.000 3.040 338 T HA 0.026 4.376 4.350 0.001 0.000 0.250 338 T C 0.149 174.623 174.700 -0.377 0.000 1.058 338 T CA -0.170 61.750 62.100 -0.300 0.000 0.988 338 T CB 0.285 68.929 68.868 -0.373 0.000 0.993 338 T HN -0.089 nan 8.240 nan 0.000 0.519 339 D N 2.566 122.707 120.400 -0.433 0.000 2.464 339 D HA 0.323 4.964 4.640 0.001 0.000 0.243 339 D C -1.845 174.366 176.300 -0.148 0.000 1.104 339 D CA -2.624 51.166 54.000 -0.350 0.000 0.883 339 D CB 1.943 42.423 40.800 -0.534 0.000 1.050 339 D HN -0.017 nan 8.370 nan 0.000 0.524 340 P HA -0.037 nan 4.420 nan 0.000 0.234 340 P C 0.892 178.211 177.300 0.032 0.000 1.167 340 P CA 0.332 63.418 63.100 -0.023 0.000 0.763 340 P CB 0.411 32.100 31.700 -0.018 0.000 0.835 341 R N -0.872 119.651 120.500 0.040 0.000 2.240 341 R HA 0.111 4.452 4.340 0.001 0.000 0.203 341 R C 0.629 177.028 176.300 0.166 0.000 1.011 341 R CA 0.438 56.595 56.100 0.095 0.000 1.007 341 R CB -0.419 29.922 30.300 0.068 0.000 0.911 341 R HN 0.121 nan 8.270 nan 0.000 0.468 342 T N 1.447 116.106 114.554 0.175 0.000 2.851 342 T HA 0.218 4.569 4.350 0.001 0.000 0.298 342 T C -0.862 174.004 174.700 0.275 0.000 0.977 342 T CA 0.368 62.622 62.100 0.256 0.000 1.126 342 T CB 0.403 69.482 68.868 0.352 0.000 0.916 342 T HN 0.011 nan 8.240 nan 0.000 0.529 343 F N 3.127 123.171 119.950 0.156 0.000 2.573 343 F HA 0.526 5.053 4.527 0.001 0.000 0.316 343 F C -0.972 174.920 175.800 0.153 0.000 1.148 343 F CA -0.977 57.127 58.000 0.172 0.000 0.940 343 F CB 1.376 40.440 39.000 0.106 0.000 1.214 343 F HN 0.226 nan 8.300 nan 0.000 0.448 344 V N 6.361 126.537 119.914 0.438 0.000 2.398 344 V HA 0.525 4.645 4.120 0.001 0.000 0.286 344 V C -0.635 175.645 176.094 0.309 0.000 1.026 344 V CA -0.679 61.779 62.300 0.264 0.000 0.868 344 V CB 1.432 33.170 31.823 -0.142 0.000 0.982 344 V HN 0.514 nan 8.190 nan 0.000 0.443 345 V N 3.729 123.754 119.914 0.185 0.000 2.555 345 V HA 0.708 4.829 4.120 0.001 0.000 0.302 345 V C 0.000 176.122 176.094 0.046 0.000 1.038 345 V CA -0.342 62.000 62.300 0.070 0.000 0.887 345 V CB 2.003 33.840 31.823 0.022 0.000 0.991 345 V HN 0.922 nan 8.190 nan 0.000 0.434 346 T N 5.325 119.882 114.554 0.006 0.000 2.916 346 T HA 0.578 4.928 4.350 0.001 0.000 0.298 346 T C -3.056 171.656 174.700 0.020 0.000 1.031 346 T CA -1.855 60.277 62.100 0.054 0.000 0.993 346 T CB 2.415 71.367 68.868 0.141 0.000 1.045 346 T HN 0.471 nan 8.240 nan 0.000 0.454 347 P HA 0.446 nan 4.420 nan 0.000 0.241 347 P C 0.425 177.705 177.300 -0.034 0.000 1.780 347 P CA 0.095 63.187 63.100 -0.015 0.000 1.111 347 P CB 0.185 31.873 31.700 -0.021 0.000 1.852 348 A N 2.495 125.313 122.820 -0.004 0.000 3.396 348 A HA -0.195 4.126 4.320 0.001 0.000 0.267 348 A C 0.815 178.414 177.584 0.025 0.000 1.139 348 A CA 1.223 53.264 52.037 0.006 0.000 1.115 348 A CB -2.369 16.606 19.000 -0.042 0.000 1.133 348 A HN 0.402 nan 8.150 nan 0.000 0.920 349 M N -0.024 119.593 119.600 0.028 0.000 3.462 349 M HA 0.217 4.698 4.480 0.001 0.000 0.219 349 M C 1.205 177.586 176.300 0.134 0.000 1.207 349 M CA 0.178 55.494 55.300 0.027 0.000 1.284 349 M CB -0.297 32.235 32.600 -0.113 0.000 1.160 349 M HN 0.567 nan 8.290 nan 0.000 0.598 350 R N 1.729 122.339 120.500 0.183 0.000 2.064 350 R HA -0.120 4.221 4.340 0.001 0.000 0.228 350 R C 1.728 178.140 176.300 0.187 0.000 1.144 350 R CA 1.955 58.197 56.100 0.236 0.000 0.932 350 R CB 0.245 30.697 30.300 0.253 0.000 0.833 350 R HN 0.433 nan 8.270 nan 0.000 0.429 351 E N -0.000 120.292 120.200 0.154 0.000 2.051 351 E HA -0.133 4.218 4.350 0.001 0.000 0.192 351 E C 2.046 178.757 176.600 0.185 0.000 0.991 351 E CA 1.374 57.863 56.400 0.147 0.000 0.799 351 E CB -0.994 28.780 29.700 0.123 0.000 0.748 351 E HN 0.547 nan 8.360 nan 0.000 0.449 352 G N 1.660 110.579 108.800 0.198 0.000 2.586 352 G HA2 -0.323 3.638 3.960 0.001 0.000 0.218 352 G HA3 -0.323 3.638 3.960 0.001 0.000 0.218 352 G C 1.757 176.886 174.900 0.380 0.000 1.216 352 G CA 1.487 46.763 45.100 0.293 0.000 0.786 352 G HN 0.353 nan 8.290 nan 0.000 0.583 353 S N 0.412 116.316 115.700 0.340 0.000 2.595 353 S HA 0.279 4.750 4.470 0.001 0.000 0.235 353 S C 1.603 176.431 174.600 0.379 0.000 0.974 353 S CA 1.029 59.454 58.200 0.376 0.000 0.942 353 S CB -0.384 62.986 63.200 0.283 0.000 0.766 353 S HN 1.504 nan 8.310 nan 0.000 0.536 354 G N 1.095 110.080 108.800 0.308 0.000 2.256 354 G HA2 -0.219 3.742 3.960 0.001 0.000 0.272 354 G HA3 -0.219 3.742 3.960 0.001 0.000 0.272 354 G C 0.182 175.234 174.900 0.253 0.000 1.076 354 G CA 0.008 45.263 45.100 0.257 0.000 0.882 354 G HN 0.526 nan 8.290 nan 0.000 0.497 355 L N -0.327 121.035 121.223 0.230 0.000 3.122 355 L HA 0.187 4.528 4.340 0.001 0.000 0.274 355 L C 2.246 179.205 176.870 0.147 0.000 1.222 355 L CA -0.308 54.656 54.840 0.207 0.000 1.028 355 L CB 0.537 42.732 42.059 0.228 0.000 1.386 355 L HN 0.209 nan 8.230 nan 0.000 0.578 356 V N -0.362 119.618 119.914 0.110 0.000 2.214 356 V HA -0.288 3.832 4.120 0.001 0.000 0.244 356 V C 2.394 178.509 176.094 0.036 0.000 1.045 356 V CA 2.049 64.381 62.300 0.052 0.000 0.993 356 V CB -0.440 31.414 31.823 0.053 0.000 0.633 356 V HN 0.512 nan 8.190 nan 0.000 0.449 357 E N -0.314 119.918 120.200 0.053 0.000 2.114 357 E HA -0.300 4.051 4.350 0.001 0.000 0.199 357 E C 2.094 178.714 176.600 0.034 0.000 1.008 357 E CA 2.107 58.524 56.400 0.029 0.000 0.810 357 E CB -0.269 29.453 29.700 0.038 0.000 0.739 357 E HN 0.561 nan 8.360 nan 0.000 0.456 358 F N 1.806 121.737 119.950 -0.033 0.000 2.043 358 F HA -0.328 4.200 4.527 0.001 0.000 0.297 358 F C 2.772 178.539 175.800 -0.056 0.000 1.118 358 F CA 2.708 60.708 58.000 0.001 0.000 1.202 358 F CB -0.681 38.331 39.000 0.020 0.000 0.965 358 F HN 0.098 nan 8.300 nan 0.000 0.482 359 S N 0.628 116.340 115.700 0.020 0.000 2.419 359 S HA -0.199 4.272 4.470 0.001 0.000 0.235 359 S C 1.967 176.420 174.600 -0.246 0.000 1.019 359 S CA 1.080 59.115 58.200 -0.274 0.000 0.982 359 S CB -0.766 62.025 63.200 -0.682 0.000 0.789 359 S HN 0.543 nan 8.310 nan 0.000 0.490 360 R N 0.508 120.890 120.500 -0.197 0.000 2.115 360 R HA 0.114 4.455 4.340 0.001 0.000 0.226 360 R C 2.045 178.195 176.300 -0.250 0.000 1.100 360 R CA 1.225 57.217 56.100 -0.179 0.000 0.980 360 R CB -0.583 29.642 30.300 -0.125 0.000 0.875 360 R HN 0.431 nan 8.270 nan 0.000 0.445 361 V N -0.179 119.522 119.914 -0.354 0.000 2.725 361 V HA -0.079 4.041 4.120 0.001 0.000 0.247 361 V C 0.274 175.901 176.094 -0.778 0.000 1.058 361 V CA 1.208 63.185 62.300 -0.538 0.000 1.080 361 V CB -0.315 31.159 31.823 -0.581 0.000 0.713 361 V HN 0.318 nan 8.190 nan 0.000 0.465 362 H N -1.086 117.710 119.070 -0.456 0.000 2.471 362 H HA 0.272 4.829 4.556 0.001 0.000 0.234 362 H C -2.013 173.164 175.328 -0.252 0.000 1.388 362 H CA -1.398 54.417 56.048 -0.389 0.000 1.198 362 H CB 0.547 29.971 29.762 -0.562 0.000 1.714 362 H HN 0.251 nan 8.280 nan 0.000 0.536 363 P HA -0.203 nan 4.420 nan 0.000 0.216 363 P C 1.066 178.360 177.300 -0.010 0.000 1.150 363 P CA 1.285 64.326 63.100 -0.099 0.000 0.837 363 P CB 0.276 31.835 31.700 -0.236 0.000 0.786 364 H N -1.064 118.001 119.070 -0.008 0.000 2.562 364 H HA 0.151 4.707 4.556 0.001 0.000 0.274 364 H C 0.826 176.060 175.328 -0.157 0.000 1.038 364 H CA 0.715 56.750 56.048 -0.021 0.000 1.161 364 H CB -0.067 29.694 29.762 -0.002 0.000 1.318 364 H HN -0.015 nan 8.280 nan 0.000 0.617 365 R N -0.294 120.097 120.500 -0.182 0.000 2.582 365 R HA 0.082 4.422 4.340 0.001 0.000 0.453 365 R C -1.141 174.764 176.300 -0.659 0.000 0.969 365 R CA -0.357 55.302 56.100 -0.735 0.000 1.113 365 R CB 0.024 30.133 30.300 -0.319 0.000 1.507 365 R HN 0.156 nan 8.270 nan 0.000 0.587 366 Y N 0.243 120.331 120.300 -0.354 0.000 2.462 366 Y HA 0.626 5.177 4.550 0.001 0.000 0.346 366 Y C -1.614 174.453 175.900 0.278 0.000 0.976 366 Y CA -1.632 56.532 58.100 0.107 0.000 1.044 366 Y CB 1.601 40.202 38.460 0.234 0.000 1.230 366 Y HN -0.019 nan 8.280 nan 0.000 0.455 367 L N 6.255 127.206 121.223 -0.453 0.000 2.439 367 L HA 0.431 4.772 4.340 0.001 0.000 0.270 367 L C -1.733 174.807 176.870 -0.549 0.000 0.972 367 L CA -0.385 54.264 54.840 -0.319 0.000 0.836 367 L CB 1.660 43.784 42.059 0.108 0.000 1.255 367 L HN 0.734 nan 8.230 nan 0.000 0.404 368 D N 3.602 123.760 120.400 -0.403 0.000 2.473 368 D HA 0.196 4.837 4.640 0.001 0.000 0.226 368 D C 1.104 177.369 176.300 -0.059 0.000 1.089 368 D CA -0.138 53.761 54.000 -0.170 0.000 0.883 368 D CB 1.418 42.221 40.800 0.004 0.000 1.029 368 D HN 0.429 nan 8.370 nan 0.000 0.517 369 V N 1.994 121.877 119.914 -0.051 0.000 2.970 369 V HA 0.293 4.414 4.120 0.001 0.000 0.260 369 V C 1.229 177.313 176.094 -0.016 0.000 1.100 369 V CA 0.830 63.113 62.300 -0.028 0.000 1.122 369 V CB -1.315 30.490 31.823 -0.030 0.000 0.721 369 V HN 0.701 nan 8.190 nan 0.000 0.483 370 G N 0.436 109.229 108.800 -0.012 0.000 2.685 370 G HA2 -0.175 3.786 3.960 0.001 0.000 0.387 370 G HA3 -0.175 3.786 3.960 0.001 0.000 0.387 370 G C -0.305 174.571 174.900 -0.040 0.000 1.324 370 G CA -0.396 44.697 45.100 -0.013 0.000 0.878 370 G HN 0.580 nan 8.290 nan 0.000 0.527 371 I N 1.253 121.789 120.570 -0.056 0.000 3.136 371 I HA 0.331 4.501 4.170 0.001 0.000 0.286 371 I C 1.336 177.392 176.117 -0.101 0.000 1.091 371 I CA 1.095 62.331 61.300 -0.107 0.000 1.768 371 I CB -0.868 37.057 38.000 -0.124 0.000 1.240 371 I HN 0.836 nan 8.210 nan 0.000 0.738 372 A N 1.334 124.111 122.820 -0.073 0.000 3.159 372 A HA 0.397 4.718 4.320 0.001 0.000 0.330 372 A C 0.921 178.479 177.584 -0.043 0.000 1.032 372 A CA -0.522 51.481 52.037 -0.056 0.000 0.841 372 A CB 0.213 19.192 19.000 -0.035 0.000 1.093 372 A HN 0.316 nan 8.150 nan 0.000 0.478 373 E N 0.967 121.135 120.200 -0.053 0.000 2.048 373 E HA -0.272 4.079 4.350 0.001 0.000 0.202 373 E C 1.628 178.231 176.600 0.006 0.000 1.021 373 E CA 2.317 58.708 56.400 -0.014 0.000 0.825 373 E CB -0.186 29.503 29.700 -0.017 0.000 0.756 373 E HN 0.836 nan 8.360 nan 0.000 0.454 374 E N -0.036 120.157 120.200 -0.012 0.000 2.149 374 E HA -0.288 4.063 4.350 0.001 0.000 0.215 374 E C 2.123 178.726 176.600 0.005 0.000 1.055 374 E CA 1.810 58.207 56.400 -0.005 0.000 0.870 374 E CB -0.519 29.168 29.700 -0.022 0.000 0.764 374 E HN 0.135 nan 8.360 nan 0.000 0.463 375 V N 0.944 120.854 119.914 -0.006 0.000 2.719 375 V HA -0.143 3.977 4.120 0.001 0.000 0.252 375 V C 2.295 178.383 176.094 -0.010 0.000 1.065 375 V CA 1.307 63.602 62.300 -0.009 0.000 1.086 375 V CB -0.400 31.413 31.823 -0.017 0.000 0.700 375 V HN 0.381 nan 8.190 nan 0.000 0.467 376 A N -0.036 122.783 122.820 -0.001 0.000 1.851 376 A HA -0.203 4.118 4.320 0.001 0.000 0.216 376 A C 2.411 180.002 177.584 0.011 0.000 1.195 376 A CA 2.381 54.419 52.037 0.002 0.000 0.622 376 A CB -0.846 18.168 19.000 0.023 0.000 0.831 376 A HN 0.297 nan 8.150 nan 0.000 0.444 377 V N -0.488 119.461 119.914 0.060 0.000 2.255 377 V HA -0.233 3.888 4.120 0.001 0.000 0.247 377 V C 2.747 178.870 176.094 0.048 0.000 1.051 377 V CA 2.588 64.951 62.300 0.105 0.000 1.018 377 V CB -0.998 30.945 31.823 0.199 0.000 0.641 377 V HN 0.636 nan 8.190 nan 0.000 0.445 378 T N -1.329 113.244 114.554 0.032 0.000 2.985 378 T HA -0.113 4.238 4.350 0.001 0.000 0.266 378 T C 1.885 176.574 174.700 -0.018 0.000 1.076 378 T CA 1.491 63.601 62.100 0.017 0.000 1.135 378 T CB -0.178 68.705 68.868 0.025 0.000 0.890 378 T HN 0.513 nan 8.240 nan 0.000 0.480 379 T N 2.098 116.629 114.554 -0.038 0.000 2.708 379 T HA -0.076 4.274 4.350 0.001 0.000 0.266 379 T C 2.408 177.041 174.700 -0.112 0.000 1.037 379 T CA 1.259 63.312 62.100 -0.078 0.000 1.146 379 T CB -0.566 68.249 68.868 -0.089 0.000 0.865 379 T HN 0.427 nan 8.240 nan 0.000 0.435 380 A N 1.691 124.445 122.820 -0.109 0.000 1.903 380 A HA -0.067 4.254 4.320 0.001 0.000 0.219 380 A C 2.649 180.170 177.584 -0.104 0.000 1.191 380 A CA 2.380 54.338 52.037 -0.133 0.000 0.638 380 A CB -1.375 17.537 19.000 -0.146 0.000 0.823 380 A HN 0.546 nan 8.150 nan 0.000 0.451 381 A N -0.698 122.086 122.820 -0.061 0.000 1.869 381 A HA -0.017 4.304 4.320 0.001 0.000 0.218 381 A C 2.550 180.105 177.584 -0.049 0.000 1.203 381 A CA 2.563 54.577 52.037 -0.038 0.000 0.638 381 A CB -1.683 17.313 19.000 -0.007 0.000 0.831 381 A HN 0.954 nan 8.150 nan 0.000 0.450 382 G N -1.017 107.751 108.800 -0.054 0.000 2.514 382 G HA2 -0.295 3.666 3.960 0.001 0.000 0.217 382 G HA3 -0.295 3.666 3.960 0.001 0.000 0.217 382 G C 1.662 176.519 174.900 -0.071 0.000 1.198 382 G CA 1.427 46.493 45.100 -0.056 0.000 0.780 382 G HN 0.464 nan 8.290 nan 0.000 0.565 383 M N 0.787 120.320 119.600 -0.111 0.000 2.113 383 M HA -0.244 4.237 4.480 0.001 0.000 0.255 383 M C 2.994 179.248 176.300 -0.077 0.000 1.073 383 M CA 1.962 57.183 55.300 -0.131 0.000 1.091 383 M CB -0.359 32.104 32.600 -0.229 0.000 1.309 383 M HN 0.354 nan 8.290 nan 0.000 0.407 384 A N -0.307 122.471 122.820 -0.069 0.000 1.969 384 A HA -0.107 4.214 4.320 0.001 0.000 0.218 384 A C 1.939 179.506 177.584 -0.029 0.000 1.169 384 A CA 1.073 53.084 52.037 -0.043 0.000 0.635 384 A CB -0.538 18.433 19.000 -0.048 0.000 0.810 384 A HN 0.348 nan 8.150 nan 0.000 0.445 385 L N -0.441 120.763 121.223 -0.032 0.000 2.012 385 L HA -0.185 4.156 4.340 0.001 0.000 0.210 385 L C 2.503 179.362 176.870 -0.019 0.000 1.073 385 L CA 1.807 56.633 54.840 -0.023 0.000 0.748 385 L CB -1.190 40.855 42.059 -0.024 0.000 0.891 385 L HN 0.350 nan 8.230 nan 0.000 0.431 386 Q N -0.586 119.200 119.800 -0.023 0.000 2.368 386 Q HA -0.049 4.292 4.340 0.001 0.000 0.210 386 Q C 1.569 177.565 176.000 -0.007 0.000 0.982 386 Q CA 1.071 56.865 55.803 -0.016 0.000 0.884 386 Q CB -0.209 28.516 28.738 -0.020 0.000 0.933 386 Q HN 0.674 nan 8.270 nan 0.000 0.460 387 G N -2.127 106.670 108.800 -0.005 0.000 2.227 387 G HA2 -0.161 3.800 3.960 0.001 0.000 0.168 387 G HA3 -0.161 3.800 3.960 0.001 0.000 0.168 387 G C 0.240 175.150 174.900 0.016 0.000 1.006 387 G CA 0.012 45.115 45.100 0.004 0.000 0.684 387 G HN 0.060 nan 8.290 nan 0.000 0.489 388 M N -0.117 119.493 119.600 0.017 0.000 2.159 388 M HA 0.522 5.003 4.480 0.001 0.000 0.293 388 M C 1.017 177.344 176.300 0.045 0.000 1.186 388 M CA 0.004 55.331 55.300 0.045 0.000 1.073 388 M CB 0.279 32.904 32.600 0.041 0.000 1.419 388 M HN 0.095 nan 8.290 nan 0.000 0.490 389 R N 1.059 121.611 120.500 0.086 0.000 2.738 389 R HA 0.312 4.652 4.340 0.001 0.000 0.280 389 R C -2.453 173.909 176.300 0.104 0.000 1.456 389 R CA -1.248 54.903 56.100 0.085 0.000 1.612 389 R CB 0.773 31.142 30.300 0.116 0.000 1.286 389 R HN 0.382 nan 8.270 nan 0.000 0.660 390 P HA 0.173 nan 4.420 nan 0.000 0.281 390 P C -0.333 176.973 177.300 0.010 0.000 1.249 390 P CA -0.289 62.856 63.100 0.074 0.000 0.810 390 P CB 1.786 33.465 31.700 -0.034 0.000 1.008 391 V N 2.744 122.697 119.914 0.065 0.000 2.448 391 V HA 0.194 4.314 4.120 0.001 0.000 0.295 391 V C 0.212 176.307 176.094 0.003 0.000 1.025 391 V CA -0.782 61.537 62.300 0.031 0.000 0.859 391 V CB 2.039 33.955 31.823 0.154 0.000 0.988 391 V HN 0.239 nan 8.190 nan 0.000 0.431 392 V N 4.596 124.437 119.914 -0.121 0.000 2.334 392 V HA 0.551 4.672 4.120 0.001 0.000 0.267 392 V C 0.686 176.794 176.094 0.024 0.000 1.040 392 V CA -0.406 61.859 62.300 -0.059 0.000 0.866 392 V CB 1.164 32.897 31.823 -0.150 0.000 1.019 392 V HN 0.954 nan 8.190 nan 0.000 0.468 393 A N 6.922 129.768 122.820 0.043 0.000 2.269 393 A HA 0.796 5.117 4.320 0.001 0.000 0.302 393 A C -0.530 177.094 177.584 0.067 0.000 1.266 393 A CA -0.182 51.842 52.037 -0.021 0.000 0.894 393 A CB 0.143 19.145 19.000 0.004 0.000 1.147 393 A HN 0.845 nan 8.150 nan 0.000 0.537 394 I N 1.956 122.576 120.570 0.083 0.000 2.752 394 I HA 0.388 4.559 4.170 0.001 0.000 0.295 394 I C -1.278 174.969 176.117 0.218 0.000 1.219 394 I CA -0.855 60.547 61.300 0.170 0.000 1.030 394 I CB 1.433 39.548 38.000 0.193 0.000 1.259 394 I HN 0.618 nan 8.210 nan 0.000 0.423 395 Y N 4.126 124.432 120.300 0.010 0.000 2.578 395 Y HA 0.022 4.573 4.550 0.001 0.000 0.339 395 Y C 1.678 177.488 175.900 -0.150 0.000 1.231 395 Y CA 0.198 58.202 58.100 -0.160 0.000 1.461 395 Y CB 0.907 39.114 38.460 -0.421 0.000 1.323 395 Y HN 0.652 nan 8.280 nan 0.000 0.590 396 S N 1.012 116.674 115.700 -0.063 0.000 2.359 396 S HA -0.207 4.263 4.470 0.001 0.000 0.223 396 S C 1.867 176.531 174.600 0.106 0.000 1.039 396 S CA 2.267 60.469 58.200 0.004 0.000 1.042 396 S CB -0.371 62.790 63.200 -0.065 0.000 0.915 396 S HN 0.909 nan 8.310 nan 0.000 0.439 397 T N 0.419 114.964 114.554 -0.015 0.000 2.788 397 T HA -0.031 4.320 4.350 0.001 0.000 0.268 397 T C 1.414 176.213 174.700 0.164 0.000 1.044 397 T CA 1.195 63.364 62.100 0.115 0.000 1.139 397 T CB -0.633 68.285 68.868 0.084 0.000 0.867 397 T HN 0.408 nan 8.240 nan 0.000 0.454 398 F N 1.048 121.048 119.950 0.082 0.000 2.407 398 F HA 0.270 4.798 4.527 0.001 0.000 0.299 398 F C 2.004 177.763 175.800 -0.067 0.000 1.097 398 F CA -1.041 56.903 58.000 -0.093 0.000 1.422 398 F CB -1.313 37.648 39.000 -0.065 0.000 1.067 398 F HN 0.091 nan 8.300 nan 0.000 0.539 399 L N 0.655 121.992 121.223 0.189 0.000 2.131 399 L HA -0.208 4.133 4.340 0.001 0.000 0.210 399 L C 2.166 179.039 176.870 0.006 0.000 1.092 399 L CA 1.708 56.642 54.840 0.157 0.000 0.759 399 L CB -1.032 41.182 42.059 0.259 0.000 0.903 399 L HN 0.194 nan 8.230 nan 0.000 0.435 400 Q N -1.077 118.663 119.800 -0.100 0.000 2.197 400 Q HA -0.227 4.113 4.340 0.001 0.000 0.207 400 Q C 2.113 177.956 176.000 -0.262 0.000 0.984 400 Q CA 1.305 56.859 55.803 -0.415 0.000 0.869 400 Q CB -0.292 28.276 28.738 -0.282 0.000 0.906 400 Q HN 0.370 nan 8.270 nan 0.000 0.426 401 R N 0.041 120.438 120.500 -0.170 0.000 2.152 401 R HA -0.040 4.301 4.340 0.001 0.000 0.232 401 R C 1.257 177.513 176.300 -0.074 0.000 1.117 401 R CA 1.237 57.254 56.100 -0.138 0.000 0.981 401 R CB -0.223 29.984 30.300 -0.155 0.000 0.870 401 R HN 0.238 nan 8.270 nan 0.000 0.451 402 A N -0.768 122.026 122.820 -0.043 0.000 2.535 402 A HA 0.041 4.362 4.320 0.001 0.000 0.273 402 A C 1.264 178.842 177.584 -0.011 0.000 1.267 402 A CA -0.515 51.519 52.037 -0.006 0.000 0.940 402 A CB -0.296 18.729 19.000 0.042 0.000 1.101 402 A HN 0.316 nan 8.150 nan 0.000 0.521 403 Y N 1.207 121.399 120.300 -0.179 0.000 2.114 403 Y HA -0.324 4.227 4.550 0.001 0.000 0.282 403 Y C 1.762 177.616 175.900 -0.077 0.000 1.165 403 Y CA 2.539 60.522 58.100 -0.195 0.000 1.148 403 Y CB -0.199 38.050 38.460 -0.352 0.000 0.972 403 Y HN 0.466 nan 8.280 nan 0.000 0.504 404 D N -1.037 119.279 120.400 -0.141 0.000 2.219 404 D HA -0.163 4.478 4.640 0.001 0.000 0.205 404 D C 1.807 178.040 176.300 -0.111 0.000 0.970 404 D CA 1.120 55.004 54.000 -0.194 0.000 0.851 404 D CB -0.003 40.769 40.800 -0.047 0.000 0.943 404 D HN 0.416 nan 8.370 nan 0.000 0.488 405 Q N -0.343 119.423 119.800 -0.057 0.000 2.079 405 Q HA -0.034 4.307 4.340 0.001 0.000 0.200 405 Q C 2.345 178.356 176.000 0.017 0.000 0.974 405 Q CA 0.911 56.721 55.803 0.012 0.000 0.840 405 Q CB -0.337 28.420 28.738 0.032 0.000 0.898 405 Q HN 0.212 nan 8.270 nan 0.000 0.430 406 V N 0.674 120.567 119.914 -0.035 0.000 2.287 406 V HA -0.269 3.852 4.120 0.001 0.000 0.248 406 V C 2.126 178.166 176.094 -0.090 0.000 1.053 406 V CA 1.849 64.118 62.300 -0.051 0.000 1.027 406 V CB -0.644 31.062 31.823 -0.194 0.000 0.646 406 V HN 0.353 nan 8.190 nan 0.000 0.447 407 L N -1.044 120.057 121.223 -0.203 0.000 2.056 407 L HA -0.183 4.157 4.340 0.001 0.000 0.207 407 L C 2.602 179.441 176.870 -0.052 0.000 1.078 407 L CA 1.942 56.675 54.840 -0.179 0.000 0.749 407 L CB -0.404 41.454 42.059 -0.335 0.000 0.901 407 L HN 0.489 nan 8.230 nan 0.000 0.433 408 H N -1.334 117.672 119.070 -0.107 0.000 2.439 408 H HA -0.024 4.533 4.556 0.001 0.000 0.299 408 H C 0.972 176.281 175.328 -0.032 0.000 1.033 408 H CA 1.105 57.117 56.048 -0.061 0.000 1.348 408 H CB 0.554 30.282 29.762 -0.056 0.000 1.449 408 H HN 0.369 nan 8.280 nan 0.000 0.544 409 D N 0.026 120.453 120.400 0.046 0.000 2.366 409 D HA 0.038 4.679 4.640 0.001 0.000 0.205 409 D C 1.779 178.075 176.300 -0.007 0.000 1.022 409 D CA 0.291 54.299 54.000 0.013 0.000 0.868 409 D CB 1.187 42.041 40.800 0.091 0.000 0.953 409 D HN 0.222 nan 8.370 nan 0.000 0.514 410 V N 0.520 120.443 119.914 0.014 0.000 2.948 410 V HA 0.156 4.276 4.120 0.001 0.000 0.234 410 V C 2.246 178.348 176.094 0.013 0.000 1.205 410 V CA 0.932 63.255 62.300 0.039 0.000 1.234 410 V CB 0.036 31.949 31.823 0.151 0.000 1.020 410 V HN 0.079 nan 8.190 nan 0.000 0.491 411 A N 0.387 123.208 122.820 0.001 0.000 1.873 411 A HA -0.140 4.181 4.320 0.001 0.000 0.215 411 A C 2.115 179.706 177.584 0.011 0.000 1.186 411 A CA 1.867 53.907 52.037 0.006 0.000 0.616 411 A CB -0.575 18.413 19.000 -0.019 0.000 0.823 411 A HN 0.446 nan 8.150 nan 0.000 0.442 412 I N -0.300 120.246 120.570 -0.041 0.000 2.113 412 I HA -0.256 3.915 4.170 0.001 0.000 0.242 412 I C 2.001 178.105 176.117 -0.022 0.000 1.064 412 I CA 1.619 62.885 61.300 -0.055 0.000 1.320 412 I CB -0.263 37.655 38.000 -0.137 0.000 1.028 412 I HN 0.323 nan 8.210 nan 0.000 0.406 413 E N -0.639 119.550 120.200 -0.017 0.000 2.479 413 E HA -0.055 4.295 4.350 0.001 0.000 0.193 413 E C -0.356 176.304 176.600 0.099 0.000 1.049 413 E CA -0.020 56.390 56.400 0.016 0.000 0.870 413 E CB -0.112 29.581 29.700 -0.012 0.000 0.944 413 E HN 0.413 nan 8.360 nan 0.000 0.492 414 H N -0.240 118.808 119.070 -0.036 0.000 3.025 414 H HA -0.151 4.406 4.556 0.001 0.000 0.350 414 H C -1.215 174.107 175.328 -0.009 0.000 1.201 414 H CA 0.118 56.149 56.048 -0.029 0.000 1.164 414 H CB -1.864 27.878 29.762 -0.034 0.000 1.593 414 H HN 0.038 nan 8.280 nan 0.000 0.420 415 L N 2.173 123.332 121.223 -0.107 0.000 2.331 415 L HA 0.337 4.678 4.340 0.001 0.000 0.275 415 L C 0.893 177.708 176.870 -0.091 0.000 1.022 415 L CA -0.883 53.912 54.840 -0.076 0.000 0.812 415 L CB 1.350 43.390 42.059 -0.032 0.000 1.257 415 L HN 0.479 nan 8.230 nan 0.000 0.435 416 N N 1.285 119.953 118.700 -0.054 0.000 2.814 416 N HA 0.114 4.855 4.740 0.001 0.000 0.304 416 N C -1.105 174.379 175.510 -0.044 0.000 1.211 416 N CA -0.135 52.901 53.050 -0.024 0.000 1.158 416 N CB 0.025 38.509 38.487 -0.005 0.000 1.458 416 N HN 0.181 nan 8.380 nan 0.000 0.519 417 V N 1.402 121.276 119.914 -0.067 0.000 2.376 417 V HA 0.195 4.316 4.120 0.001 0.000 0.287 417 V C 0.190 176.135 176.094 -0.249 0.000 1.015 417 V CA -0.713 61.456 62.300 -0.219 0.000 0.834 417 V CB 1.599 33.225 31.823 -0.328 0.000 1.001 417 V HN 0.313 nan 8.190 nan 0.000 0.428 418 T N 6.110 120.548 114.554 -0.194 0.000 2.743 418 T HA 0.544 4.894 4.350 0.001 0.000 0.293 418 T C -0.424 174.151 174.700 -0.208 0.000 0.945 418 T CA 0.120 62.189 62.100 -0.051 0.000 1.030 418 T CB 0.128 69.013 68.868 0.029 0.000 0.912 418 T HN 0.290 nan 8.240 nan 0.000 0.483 419 F N 1.746 121.757 119.950 0.102 0.000 2.391 419 F HA 0.330 4.857 4.527 0.001 0.000 0.359 419 F C 0.582 176.404 175.800 0.037 0.000 1.122 419 F CA -1.036 57.002 58.000 0.063 0.000 1.120 419 F CB 0.520 39.554 39.000 0.058 0.000 1.142 419 F HN 0.435 nan 8.300 nan 0.000 0.483 420 C N 5.971 125.322 119.300 0.085 0.000 2.125 420 C HA 0.449 4.910 4.460 0.001 0.000 0.355 420 C C 0.309 175.165 174.990 -0.224 0.000 1.047 420 C CA -0.963 58.007 59.018 -0.079 0.000 1.501 420 C CB -1.681 25.846 27.740 -0.354 0.000 1.783 420 C HN 0.497 nan 8.230 nan 0.000 0.455 421 I N 3.432 123.862 120.570 -0.234 0.000 2.421 421 I HA 0.131 4.302 4.170 0.001 0.000 0.291 421 I C 0.717 176.363 176.117 -0.786 0.000 1.089 421 I CA 0.858 61.966 61.300 -0.320 0.000 1.354 421 I CB -0.145 37.737 38.000 -0.196 0.000 1.413 421 I HN 0.523 nan 8.210 nan 0.000 0.513 422 D N 5.835 125.868 120.400 -0.612 0.000 2.388 422 D HA 0.256 4.897 4.640 0.001 0.000 0.254 422 D C 0.365 176.331 176.300 -0.556 0.000 1.111 422 D CA -0.296 53.293 54.000 -0.685 0.000 0.993 422 D CB 0.857 41.527 40.800 -0.217 0.000 1.118 422 D HN 0.260 nan 8.370 nan 0.000 0.502 423 R N -0.709 119.489 120.500 -0.504 0.000 3.333 423 R HA -0.154 4.187 4.340 0.001 0.000 0.256 423 R C -0.708 175.409 176.300 -0.304 0.000 1.010 423 R CA 0.485 56.326 56.100 -0.432 0.000 0.680 423 R CB -2.788 27.096 30.300 -0.694 0.000 1.102 423 R HN 0.402 nan 8.270 nan 0.000 0.440 424 A N 0.191 122.835 122.820 -0.294 0.000 2.366 424 A HA 0.645 4.966 4.320 0.001 0.000 0.272 424 A C 1.321 178.815 177.584 -0.149 0.000 1.135 424 A CA 0.867 52.767 52.037 -0.229 0.000 0.804 424 A CB 0.755 19.588 19.000 -0.278 0.000 1.064 424 A HN 1.258 nan 8.150 nan 0.000 0.499 425 G N 1.083 109.817 108.800 -0.109 0.000 2.451 425 G HA2 0.023 3.984 3.960 0.001 0.000 0.208 425 G HA3 0.023 3.984 3.960 0.001 0.000 0.208 425 G C -0.497 174.384 174.900 -0.032 0.000 1.248 425 G CA -0.254 44.821 45.100 -0.042 0.000 0.989 425 G HN 1.000 nan 8.290 nan 0.000 0.559 426 I N 1.190 121.762 120.570 0.003 0.000 2.496 426 I HA 0.359 4.530 4.170 0.001 0.000 0.285 426 I C 1.746 177.846 176.117 -0.027 0.000 1.080 426 I CA 0.800 62.065 61.300 -0.058 0.000 1.404 426 I CB 1.622 39.492 38.000 -0.216 0.000 1.403 426 I HN 1.100 nan 8.210 nan 0.000 0.539 427 V N 3.637 123.548 119.914 -0.007 0.000 3.565 427 V HA 0.607 4.728 4.120 0.001 0.000 0.260 427 V C 1.099 177.217 176.094 0.040 0.000 1.231 427 V CA 0.954 63.262 62.300 0.013 0.000 1.100 427 V CB -0.433 31.401 31.823 0.019 0.000 0.807 427 V HN 1.050 nan 8.190 nan 0.000 0.454 428 G N 0.769 109.591 108.800 0.037 0.000 3.299 428 G HA2 -0.204 3.757 3.960 0.001 0.000 0.251 428 G HA3 -0.204 3.757 3.960 0.001 0.000 0.251 428 G C 1.304 176.255 174.900 0.085 0.000 1.741 428 G CA 0.829 45.953 45.100 0.040 0.000 1.151 428 G HN 1.437 nan 8.290 nan 0.000 0.561 429 A N 0.211 123.084 122.820 0.088 0.000 1.940 429 A HA -0.096 4.225 4.320 0.001 0.000 0.221 429 A C 1.853 179.522 177.584 0.142 0.000 1.190 429 A CA 3.003 55.100 52.037 0.101 0.000 0.647 429 A CB -0.806 18.231 19.000 0.063 0.000 0.821 429 A HN 0.677 nan 8.150 nan 0.000 0.457 430 D N -1.095 119.391 120.400 0.142 0.000 2.348 430 D HA 0.328 4.969 4.640 0.001 0.000 0.216 430 D C 1.413 177.795 176.300 0.137 0.000 0.970 430 D CA 1.236 55.326 54.000 0.150 0.000 0.889 430 D CB -0.326 40.438 40.800 -0.061 0.000 0.912 430 D HN 0.775 nan 8.370 nan 0.000 0.524 431 G N 0.696 109.592 108.800 0.160 0.000 2.553 431 G HA2 -0.222 3.739 3.960 0.001 0.000 0.242 431 G HA3 -0.222 3.739 3.960 0.001 0.000 0.242 431 G C 1.125 176.089 174.900 0.106 0.000 1.277 431 G CA 0.593 45.790 45.100 0.161 0.000 0.910 431 G HN 0.406 nan 8.290 nan 0.000 0.576 432 A N -1.320 121.540 122.820 0.066 0.000 1.933 432 A HA 0.092 4.413 4.320 0.001 0.000 0.218 432 A C 2.744 180.301 177.584 -0.045 0.000 1.175 432 A CA 3.728 55.779 52.037 0.023 0.000 0.628 432 A CB -1.259 17.668 19.000 -0.122 0.000 0.814 432 A HN 2.402 nan 8.150 nan 0.000 0.444 433 T N -4.321 110.163 114.554 -0.118 0.000 3.007 433 T HA -0.099 4.252 4.350 0.001 0.000 0.270 433 T C 1.291 175.946 174.700 -0.075 0.000 1.107 433 T CA 1.782 63.758 62.100 -0.207 0.000 1.118 433 T CB -0.372 68.293 68.868 -0.337 0.000 0.889 433 T HN 0.573 nan 8.240 nan 0.000 0.506 434 H N 0.219 119.214 119.070 -0.126 0.000 2.893 434 H HA 0.408 4.965 4.556 0.001 0.000 0.270 434 H C 0.005 175.332 175.328 -0.002 0.000 1.095 434 H CA -0.971 55.049 56.048 -0.047 0.000 1.186 434 H CB -0.001 29.767 29.762 0.009 0.000 1.562 434 H HN 0.445 nan 8.280 nan 0.000 0.536 435 N N 1.145 119.933 118.700 0.147 0.000 2.402 435 N HA 0.110 4.851 4.740 0.001 0.000 0.259 435 N C 0.497 176.055 175.510 0.081 0.000 1.167 435 N CA -0.225 52.879 53.050 0.089 0.000 0.949 435 N CB 0.866 39.400 38.487 0.077 0.000 1.212 435 N HN 0.297 nan 8.380 nan 0.000 0.493 436 G N 1.757 110.566 108.800 0.015 0.000 2.843 436 G HA2 0.089 4.050 3.960 0.001 0.000 0.275 436 G HA3 0.089 4.050 3.960 0.001 0.000 0.275 436 G C 0.696 175.555 174.900 -0.068 0.000 0.709 436 G CA -0.225 44.885 45.100 0.016 0.000 2.089 436 G HN 0.442 nan 8.290 nan 0.000 0.571 437 V N 0.720 120.525 119.914 -0.182 0.000 3.427 437 V HA 0.236 4.357 4.120 0.001 0.000 0.305 437 V C 1.008 176.741 176.094 -0.602 0.000 1.412 437 V CA 0.287 62.316 62.300 -0.452 0.000 1.086 437 V CB -0.575 30.889 31.823 -0.599 0.000 0.964 437 V HN 0.579 nan 8.190 nan 0.000 0.439 438 F N -0.862 119.121 119.950 0.055 0.000 2.711 438 F HA 0.228 4.756 4.527 0.001 0.000 0.296 438 F C 1.800 177.454 175.800 -0.243 0.000 1.096 438 F CA 0.150 58.191 58.000 0.068 0.000 1.280 438 F CB -0.216 38.954 39.000 0.282 0.000 1.060 438 F HN 0.132 nan 8.300 nan 0.000 0.608 439 D N 1.582 121.832 120.400 -0.250 0.000 3.725 439 D HA -0.294 4.347 4.640 0.001 0.000 0.413 439 D C 1.735 177.628 176.300 -0.678 0.000 1.205 439 D CA 2.392 55.983 54.000 -0.681 0.000 1.211 439 D CB -0.463 40.172 40.800 -0.275 0.000 0.901 439 D HN 0.254 nan 8.370 nan 0.000 0.578 440 L N -0.453 120.581 121.223 -0.315 0.000 2.622 440 L HA 0.011 4.351 4.340 0.001 0.000 0.233 440 L C 2.071 178.875 176.870 -0.110 0.000 1.156 440 L CA 0.405 55.142 54.840 -0.172 0.000 0.866 440 L CB -0.115 41.899 42.059 -0.074 0.000 0.980 440 L HN 0.073 nan 8.230 nan 0.000 0.448 441 S N -0.326 115.292 115.700 -0.136 0.000 2.510 441 S HA 0.015 4.486 4.470 0.001 0.000 0.230 441 S C 1.574 176.205 174.600 0.052 0.000 1.066 441 S CA 0.175 58.378 58.200 0.004 0.000 0.941 441 S CB 0.012 63.275 63.200 0.105 0.000 0.829 441 S HN 0.486 nan 8.310 nan 0.000 0.530 442 F N 2.118 122.123 119.950 0.093 0.000 2.206 442 F HA 0.241 4.769 4.527 0.001 0.000 0.298 442 F C 1.700 177.633 175.800 0.222 0.000 1.090 442 F CA 0.722 58.787 58.000 0.108 0.000 1.323 442 F CB -1.025 37.952 39.000 -0.039 0.000 1.028 442 F HN 0.026 nan 8.300 nan 0.000 0.492 443 L N 0.349 121.558 121.223 -0.023 0.000 2.093 443 L HA -0.062 4.278 4.340 0.001 0.000 0.208 443 L C 2.878 179.771 176.870 0.038 0.000 1.085 443 L CA 1.425 56.278 54.840 0.022 0.000 0.755 443 L CB -0.692 41.266 42.059 -0.169 0.000 0.904 443 L HN 0.164 nan 8.230 nan 0.000 0.435 444 R N 0.068 120.577 120.500 0.014 0.000 2.152 444 R HA -0.130 4.211 4.340 0.001 0.000 0.232 444 R C 2.175 178.517 176.300 0.070 0.000 1.117 444 R CA 1.503 57.630 56.100 0.045 0.000 0.981 444 R CB -0.018 30.309 30.300 0.045 0.000 0.870 444 R HN 0.289 nan 8.270 nan 0.000 0.451 445 S N 0.444 116.208 115.700 0.106 0.000 2.453 445 S HA 0.034 4.505 4.470 0.001 0.000 0.231 445 S C 0.861 175.517 174.600 0.093 0.000 1.005 445 S CA 0.440 58.708 58.200 0.113 0.000 0.949 445 S CB -0.025 63.276 63.200 0.168 0.000 0.774 445 S HN 0.237 nan 8.310 nan 0.000 0.510 446 I N 3.053 123.673 120.570 0.084 0.000 2.416 446 I HA 0.213 4.384 4.170 0.001 0.000 0.288 446 I C -2.630 173.497 176.117 0.016 0.000 1.051 446 I CA -2.556 58.764 61.300 0.035 0.000 1.375 446 I CB 0.338 38.335 38.000 -0.005 0.000 1.407 446 I HN -0.184 nan 8.210 nan 0.000 0.516 447 P HA -0.010 nan 4.420 nan 0.000 0.256 447 P C 0.902 178.209 177.300 0.012 0.000 1.173 447 P CA 0.899 64.001 63.100 0.002 0.000 0.768 447 P CB 0.421 32.117 31.700 -0.006 0.000 0.758 448 G N 1.935 110.739 108.800 0.007 0.000 2.217 448 G HA2 -0.234 3.727 3.960 0.001 0.000 0.246 448 G HA3 -0.234 3.727 3.960 0.001 0.000 0.246 448 G C 0.121 174.996 174.900 -0.042 0.000 0.990 448 G CA -0.193 44.938 45.100 0.051 0.000 0.627 448 G HN 0.508 nan 8.290 nan 0.000 0.522 449 V N 2.380 122.260 119.914 -0.056 0.000 2.397 449 V HA 0.381 4.502 4.120 0.001 0.000 0.262 449 V C 1.155 177.179 176.094 -0.117 0.000 1.047 449 V CA 0.013 62.251 62.300 -0.103 0.000 1.003 449 V CB 0.500 32.284 31.823 -0.065 0.000 1.037 449 V HN 0.400 nan 8.190 nan 0.000 0.480 450 R N 4.557 124.881 120.500 -0.294 0.000 2.441 450 R HA 0.613 4.953 4.340 0.001 0.000 0.284 450 R C -0.524 175.880 176.300 0.174 0.000 1.070 450 R CA -0.128 55.863 56.100 -0.182 0.000 1.047 450 R CB 0.964 30.789 30.300 -0.791 0.000 1.016 450 R HN 0.624 nan 8.270 nan 0.000 0.477 451 I N 1.528 122.368 120.570 0.449 0.000 2.418 451 I HA 0.413 4.583 4.170 0.001 0.000 0.287 451 I C 0.273 176.761 176.117 0.618 0.000 1.008 451 I CA -0.607 60.962 61.300 0.450 0.000 1.104 451 I CB 2.259 40.388 38.000 0.215 0.000 1.264 451 I HN 0.648 nan 8.210 nan 0.000 0.438 452 G N 6.194 115.332 108.800 0.563 0.000 2.495 452 G HA2 0.749 4.710 3.960 0.001 0.000 0.318 452 G HA3 0.749 4.710 3.960 0.001 0.000 0.318 452 G C -1.434 173.468 174.900 0.003 0.000 1.257 452 G CA -0.446 44.791 45.100 0.229 0.000 0.962 452 G HN 0.313 nan 8.290 nan 0.000 0.483 453 L N 3.417 124.512 121.223 -0.213 0.000 2.345 453 L HA 0.420 4.761 4.340 0.001 0.000 0.274 453 L C -2.141 174.552 176.870 -0.296 0.000 0.999 453 L CA -1.648 53.041 54.840 -0.250 0.000 0.849 453 L CB 2.466 44.346 42.059 -0.298 0.000 1.220 453 L HN 0.304 nan 8.230 nan 0.000 0.422 454 P HA 0.201 nan 4.420 nan 0.000 0.293 454 P C -0.039 177.239 177.300 -0.038 0.000 1.313 454 P CA -0.671 62.351 63.100 -0.130 0.000 0.787 454 P CB 1.076 32.764 31.700 -0.018 0.000 0.910 455 K N 3.176 123.558 120.400 -0.030 0.000 2.097 455 K HA -0.112 4.209 4.320 0.001 0.000 0.205 455 K C 0.041 176.765 176.600 0.207 0.000 1.050 455 K CA 1.210 57.518 56.287 0.034 0.000 0.938 455 K CB -0.218 32.252 32.500 -0.050 0.000 0.718 455 K HN 0.464 nan 8.250 nan 0.000 0.442 456 D N -1.993 118.533 120.400 0.209 0.000 2.732 456 D HA 0.373 5.013 4.640 0.001 0.000 0.292 456 D C 0.406 176.812 176.300 0.176 0.000 1.135 456 D CA -0.376 53.707 54.000 0.140 0.000 1.071 456 D CB 0.805 41.592 40.800 -0.022 0.000 1.457 456 D HN -0.046 nan 8.370 nan 0.000 0.547 457 A N -0.258 122.527 122.820 -0.058 0.000 2.015 457 A HA 0.180 4.501 4.320 0.001 0.000 0.219 457 A C 2.081 179.660 177.584 -0.008 0.000 1.163 457 A CA 2.062 54.094 52.037 -0.009 0.000 0.646 457 A CB -1.316 17.621 19.000 -0.106 0.000 0.806 457 A HN 0.658 nan 8.150 nan 0.000 0.448 458 A N -0.249 122.545 122.820 -0.042 0.000 1.877 458 A HA -0.193 4.127 4.320 0.001 0.000 0.216 458 A C 1.983 179.574 177.584 0.013 0.000 1.186 458 A CA 1.777 53.784 52.037 -0.050 0.000 0.620 458 A CB -0.546 18.426 19.000 -0.046 0.000 0.822 458 A HN 0.599 nan 8.150 nan 0.000 0.443 459 E N -0.876 119.348 120.200 0.039 0.000 2.204 459 E HA -0.152 4.199 4.350 0.001 0.000 0.194 459 E C 1.843 178.498 176.600 0.092 0.000 0.989 459 E CA 0.932 57.361 56.400 0.048 0.000 0.824 459 E CB -0.139 29.563 29.700 0.002 0.000 0.756 459 E HN 0.520 nan 8.360 nan 0.000 0.477 460 L N 0.751 122.060 121.223 0.143 0.000 2.027 460 L HA -0.132 4.209 4.340 0.001 0.000 0.206 460 L C 2.210 179.186 176.870 0.177 0.000 1.074 460 L CA 1.643 56.594 54.840 0.186 0.000 0.745 460 L CB -0.171 42.045 42.059 0.262 0.000 0.898 460 L HN -0.073 nan 8.230 nan 0.000 0.433 461 R N -0.432 120.123 120.500 0.091 0.000 2.080 461 R HA -0.123 4.218 4.340 0.001 0.000 0.236 461 R C 2.244 178.721 176.300 0.296 0.000 1.137 461 R CA 1.482 57.614 56.100 0.053 0.000 0.943 461 R CB -1.169 28.894 30.300 -0.395 0.000 0.846 461 R HN 0.599 nan 8.270 nan 0.000 0.431 462 G N 0.650 109.587 108.800 0.230 0.000 2.491 462 G HA2 -0.326 3.635 3.960 0.001 0.000 0.218 462 G HA3 -0.326 3.635 3.960 0.001 0.000 0.218 462 G C 1.418 176.510 174.900 0.319 0.000 1.180 462 G CA 1.175 46.448 45.100 0.289 0.000 0.774 462 G HN 0.202 nan 8.290 nan 0.000 0.562 463 M N -0.494 119.276 119.600 0.283 0.000 2.159 463 M HA 0.014 4.495 4.480 0.001 0.000 0.263 463 M C 2.461 178.974 176.300 0.355 0.000 1.063 463 M CA 0.917 56.452 55.300 0.392 0.000 1.110 463 M CB -0.277 32.522 32.600 0.332 0.000 1.374 463 M HN 0.287 nan 8.290 nan 0.000 0.411 464 L N 0.774 122.144 121.223 0.244 0.000 2.017 464 L HA -0.205 4.136 4.340 0.001 0.000 0.208 464 L C 2.318 179.070 176.870 -0.198 0.000 1.073 464 L CA 2.005 56.889 54.840 0.075 0.000 0.745 464 L CB -0.735 41.395 42.059 0.117 0.000 0.894 464 L HN 0.195 nan 8.230 nan 0.000 0.432 465 K N -1.606 118.719 120.400 -0.126 0.000 2.020 465 K HA -0.320 4.001 4.320 0.001 0.000 0.212 465 K C 2.286 178.840 176.600 -0.077 0.000 1.050 465 K CA 2.335 58.426 56.287 -0.326 0.000 0.929 465 K CB -0.732 31.880 32.500 0.185 0.000 0.714 465 K HN 0.435 nan 8.250 nan 0.000 0.443 466 Y N 0.584 120.899 120.300 0.024 0.000 2.070 466 Y HA -0.294 4.257 4.550 0.001 0.000 0.280 466 Y C 2.188 177.982 175.900 -0.175 0.000 1.148 466 Y CA 2.194 60.331 58.100 0.061 0.000 1.125 466 Y CB -0.540 37.984 38.460 0.108 0.000 0.975 466 Y HN 0.256 nan 8.280 nan 0.000 0.492 467 A N -0.037 122.624 122.820 -0.265 0.000 1.908 467 A HA -0.260 4.061 4.320 0.001 0.000 0.218 467 A C 2.016 179.401 177.584 -0.331 0.000 1.181 467 A CA 1.886 53.458 52.037 -0.776 0.000 0.627 467 A CB -0.739 17.925 19.000 -0.559 0.000 0.818 467 A HN 0.573 nan 8.150 nan 0.000 0.445 468 Q N -0.419 119.235 119.800 -0.242 0.000 2.364 468 Q HA -0.095 4.246 4.340 0.001 0.000 0.209 468 Q C 1.377 177.376 176.000 -0.001 0.000 0.977 468 Q CA 1.728 57.458 55.803 -0.121 0.000 0.885 468 Q CB -0.546 28.025 28.738 -0.277 0.000 0.941 468 Q HN 0.856 nan 8.270 nan 0.000 0.464 469 T N -3.036 111.470 114.554 -0.079 0.000 3.228 469 T HA 0.221 4.572 4.350 0.001 0.000 0.278 469 T C 0.161 174.572 174.700 -0.483 0.000 1.014 469 T CA -0.452 61.545 62.100 -0.172 0.000 0.904 469 T CB 0.133 68.920 68.868 -0.134 0.000 1.110 469 T HN 0.064 nan 8.240 nan 0.000 0.541 470 H N 0.732 119.669 119.070 -0.223 0.000 2.806 470 H HA 0.387 4.944 4.556 0.001 0.000 0.367 470 H C -1.095 174.260 175.328 0.045 0.000 1.136 470 H CA -0.848 55.111 56.048 -0.149 0.000 1.178 470 H CB 1.954 31.537 29.762 -0.298 0.000 1.718 470 H HN 0.170 nan 8.280 nan 0.000 0.540 471 D N 0.693 121.210 120.400 0.196 0.000 2.423 471 D HA 0.329 4.970 4.640 0.001 0.000 0.238 471 D C 1.105 177.459 176.300 0.090 0.000 1.142 471 D CA 1.568 55.655 54.000 0.144 0.000 0.884 471 D CB 0.626 41.526 40.800 0.167 0.000 1.199 471 D HN 0.881 nan 8.370 nan 0.000 0.438 472 G N 1.471 110.139 108.800 -0.221 0.000 2.756 472 G HA2 -0.108 3.852 3.960 0.001 0.000 0.678 472 G HA3 -0.108 3.852 3.960 0.001 0.000 0.678 472 G C -2.837 171.861 174.900 -0.337 0.000 1.349 472 G CA -1.012 43.586 45.100 -0.837 0.000 0.847 472 G HN 0.452 nan 8.290 nan 0.000 0.548 473 P HA 0.691 nan 4.420 nan 0.000 0.276 473 P C -0.794 176.347 177.300 -0.266 0.000 1.244 473 P CA -0.105 62.940 63.100 -0.092 0.000 0.801 473 P CB 0.595 32.310 31.700 0.025 0.000 1.006 474 F N -0.278 119.698 119.950 0.043 0.000 2.623 474 F HA 0.490 5.017 4.527 0.001 0.000 0.323 474 F C -0.439 175.487 175.800 0.211 0.000 1.158 474 F CA -0.529 57.447 58.000 -0.041 0.000 1.030 474 F CB 1.767 40.628 39.000 -0.232 0.000 1.280 474 F HN 0.285 nan 8.300 nan 0.000 0.474 475 A N 4.745 127.793 122.820 0.379 0.000 2.318 475 A HA 0.907 5.227 4.320 0.001 0.000 0.324 475 A C -1.000 176.808 177.584 0.373 0.000 1.170 475 A CA -0.557 51.689 52.037 0.348 0.000 0.810 475 A CB 0.731 19.813 19.000 0.136 0.000 1.198 475 A HN 0.678 nan 8.150 nan 0.000 0.484 476 I N 2.877 123.621 120.570 0.291 0.000 2.410 476 I HA 0.411 4.582 4.170 0.001 0.000 0.286 476 I C 0.197 176.324 176.117 0.016 0.000 1.009 476 I CA -0.522 60.923 61.300 0.242 0.000 1.111 476 I CB 1.658 39.855 38.000 0.328 0.000 1.262 476 I HN 0.847 nan 8.210 nan 0.000 0.443 477 R N 6.664 127.120 120.500 -0.074 0.000 2.387 477 R HA 0.661 5.001 4.340 0.001 0.000 0.314 477 R C -1.771 174.326 176.300 -0.339 0.000 0.958 477 R CA -0.595 55.331 56.100 -0.291 0.000 0.846 477 R CB 1.225 31.385 30.300 -0.233 0.000 1.147 477 R HN 0.557 nan 8.270 nan 0.000 0.447 478 Y N 0.091 120.143 120.300 -0.413 0.000 2.512 478 Y HA 0.693 5.243 4.550 0.001 0.000 0.348 478 Y C -2.863 172.692 175.900 -0.574 0.000 0.990 478 Y CA -3.594 54.063 58.100 -0.739 0.000 1.033 478 Y CB 1.291 39.040 38.460 -1.186 0.000 1.259 478 Y HN 0.461 nan 8.280 nan 0.000 0.461 479 P HA 0.201 nan 4.420 nan 0.000 0.279 479 P C -0.926 176.381 177.300 0.012 0.000 1.282 479 P CA -0.633 62.365 63.100 -0.169 0.000 0.788 479 P CB 1.079 32.732 31.700 -0.078 0.000 1.139 480 R N -0.020 120.500 120.500 0.034 0.000 2.267 480 R HA 0.528 4.869 4.340 0.001 0.000 0.319 480 R C 0.170 176.581 176.300 0.185 0.000 1.067 480 R CA 0.369 56.526 56.100 0.095 0.000 0.936 480 R CB -0.663 29.649 30.300 0.021 0.000 1.006 480 R HN 0.855 nan 8.270 nan 0.000 0.452 481 G N 2.680 111.637 108.800 0.262 0.000 2.350 481 G HA2 -0.030 3.931 3.960 0.001 0.000 0.282 481 G HA3 -0.030 3.931 3.960 0.001 0.000 0.282 481 G C -1.973 173.045 174.900 0.197 0.000 1.314 481 G CA -0.910 44.329 45.100 0.232 0.000 0.915 481 G HN 0.619 nan 8.290 nan 0.000 0.499 482 N N -0.211 118.495 118.700 0.010 0.000 2.284 482 N HA 0.770 5.510 4.740 0.001 0.000 0.289 482 N C -0.519 174.747 175.510 -0.407 0.000 1.179 482 N CA 0.040 52.956 53.050 -0.223 0.000 0.774 482 N CB 2.138 40.578 38.487 -0.078 0.000 1.548 482 N HN 1.107 nan 8.380 nan 0.000 0.473 483 T N -3.499 110.673 114.554 -0.636 0.000 2.864 483 T HA 0.784 5.134 4.350 0.001 0.000 0.289 483 T C -0.103 174.381 174.700 -0.360 0.000 1.082 483 T CA -0.914 60.887 62.100 -0.499 0.000 1.009 483 T CB 1.155 69.622 68.868 -0.668 0.000 1.234 483 T HN 0.604 nan 8.240 nan 0.000 0.526 484 A N 0.921 123.554 122.820 -0.312 0.000 2.531 484 A HA 0.310 4.630 4.320 0.001 0.000 0.236 484 A C 0.550 177.844 177.584 -0.482 0.000 1.062 484 A CA -0.216 51.629 52.037 -0.320 0.000 0.760 484 A CB -0.447 18.410 19.000 -0.239 0.000 0.995 484 A HN 0.906 nan 8.150 nan 0.000 0.501 485 Q N 1.396 120.769 119.800 -0.712 0.000 2.337 485 Q HA 0.407 4.747 4.340 0.001 0.000 0.270 485 Q C -0.862 174.845 176.000 -0.489 0.000 1.002 485 Q CA -0.080 55.110 55.803 -1.022 0.000 0.888 485 Q CB 0.625 28.713 28.738 -1.084 0.000 1.222 485 Q HN 0.550 nan 8.270 nan 0.000 0.400 486 V N 5.804 125.496 119.914 -0.369 0.000 2.630 486 V HA 0.405 4.526 4.120 0.001 0.000 0.305 486 V C -2.165 173.824 176.094 -0.176 0.000 1.046 486 V CA -2.064 60.100 62.300 -0.226 0.000 0.934 486 V CB 1.856 33.564 31.823 -0.191 0.000 1.003 486 V HN 0.870 nan 8.190 nan 0.000 0.451 487 P HA 0.186 nan 4.420 nan 0.000 0.267 487 P C -0.508 176.738 177.300 -0.090 0.000 1.209 487 P CA 0.012 63.055 63.100 -0.095 0.000 0.763 487 P CB 0.357 32.014 31.700 -0.071 0.000 0.816 488 A N 3.441 126.232 122.820 -0.049 0.000 2.566 488 A HA 0.385 4.706 4.320 0.001 0.000 0.245 488 A C 1.546 179.136 177.584 0.010 0.000 1.056 488 A CA 0.906 52.935 52.037 -0.014 0.000 0.757 488 A CB -1.204 17.816 19.000 0.034 0.000 0.979 488 A HN 0.905 nan 8.150 nan 0.000 0.508 489 G N 1.909 110.719 108.800 0.017 0.000 2.201 489 G HA2 -0.175 3.785 3.960 0.001 0.000 0.212 489 G HA3 -0.175 3.785 3.960 0.001 0.000 0.212 489 G C 0.387 175.273 174.900 -0.024 0.000 0.994 489 G CA 0.178 45.364 45.100 0.143 0.000 0.644 489 G HN 1.172 nan 8.290 nan 0.000 0.508 490 T N 0.597 114.965 114.554 -0.310 0.000 2.769 490 T HA 0.377 4.728 4.350 0.001 0.000 0.293 490 T C -0.129 174.200 174.700 -0.618 0.000 0.931 490 T CA 0.711 62.622 62.100 -0.315 0.000 1.139 490 T CB 0.096 68.808 68.868 -0.259 0.000 0.881 490 T HN 0.369 nan 8.240 nan 0.000 0.532 491 W N 4.757 126.129 121.300 0.120 0.000 1.177 491 W HA 0.242 4.903 4.660 0.001 0.000 0.309 491 W C -2.282 174.325 176.519 0.147 0.000 0.863 491 W CA -1.742 55.698 57.345 0.159 0.000 1.725 491 W CB 0.465 30.051 29.460 0.210 0.000 1.770 491 W HN 0.436 nan 8.180 nan 0.000 0.479 492 P HA -0.024 nan 4.420 nan 0.000 0.264 492 P C 0.030 177.481 177.300 0.251 0.000 1.193 492 P CA 0.659 63.883 63.100 0.208 0.000 0.763 492 P CB 1.131 32.910 31.700 0.131 0.000 0.810 493 D N 3.515 124.053 120.400 0.230 0.000 2.339 493 D HA 0.222 4.863 4.640 0.001 0.000 0.256 493 D C 0.409 176.848 176.300 0.231 0.000 1.214 493 D CA 0.293 54.443 54.000 0.249 0.000 0.877 493 D CB 0.553 41.480 40.800 0.212 0.000 1.111 493 D HN 0.231 nan 8.370 nan 0.000 0.478 494 L N -0.762 120.629 121.223 0.279 0.000 2.370 494 L HA 0.528 4.869 4.340 0.001 0.000 0.266 494 L C -0.285 176.716 176.870 0.218 0.000 1.002 494 L CA -1.016 53.956 54.840 0.219 0.000 0.818 494 L CB 1.422 43.593 42.059 0.185 0.000 1.325 494 L HN -0.064 nan 8.230 nan 0.000 0.418 495 K N 1.986 122.467 120.400 0.136 0.000 2.339 495 K HA 0.137 4.457 4.320 0.001 0.000 0.286 495 K C -0.869 175.609 176.600 -0.203 0.000 1.050 495 K CA -0.249 56.069 56.287 0.052 0.000 0.956 495 K CB 0.900 33.439 32.500 0.064 0.000 0.990 495 K HN 0.649 nan 8.250 nan 0.000 0.475 496 W N 2.117 122.907 121.300 -0.849 0.000 2.266 496 W HA 0.158 4.818 4.660 0.001 0.000 0.317 496 W C 0.585 176.589 176.519 -0.858 0.000 1.310 496 W CA 1.030 57.648 57.345 -1.211 0.000 1.207 496 W CB 0.746 29.342 29.460 -1.440 0.000 1.199 496 W HN 0.942 nan 8.180 nan 0.000 0.544 497 G N 3.694 111.761 108.800 -1.221 0.000 2.138 497 G HA2 -0.255 3.705 3.960 0.001 0.000 0.193 497 G HA3 -0.255 3.705 3.960 0.001 0.000 0.193 497 G C -0.235 174.542 174.900 -0.206 0.000 0.998 497 G CA -0.201 44.628 45.100 -0.453 0.000 0.668 497 G HN 0.513 nan 8.290 nan 0.000 0.516 498 E N 0.279 120.480 120.200 0.002 0.000 2.267 498 E HA 0.481 4.832 4.350 0.001 0.000 0.248 498 E C 0.573 177.305 176.600 0.219 0.000 0.899 498 E CA -1.291 55.129 56.400 0.035 0.000 0.764 498 E CB 0.689 30.405 29.700 0.026 0.000 1.227 498 E HN 0.421 nan 8.360 nan 0.000 0.421 499 W N 3.400 124.777 121.300 0.128 0.000 1.916 499 W HA 0.450 5.110 4.660 0.001 0.000 0.403 499 W C -0.234 176.279 176.519 -0.011 0.000 1.711 499 W CA -0.677 56.663 57.345 -0.007 0.000 1.879 499 W CB 0.014 29.440 29.460 -0.057 0.000 1.359 499 W HN 0.282 nan 8.180 nan 0.000 0.718 500 E N -0.282 120.097 120.200 0.298 0.000 2.331 500 E HA 0.479 4.830 4.350 0.001 0.000 0.275 500 E C -1.125 175.550 176.600 0.125 0.000 0.895 500 E CA -1.244 55.250 56.400 0.156 0.000 0.753 500 E CB 1.670 31.413 29.700 0.072 0.000 1.216 500 E HN 0.462 nan 8.360 nan 0.000 0.434 501 R N 2.019 122.580 120.500 0.101 0.000 2.316 501 R HA 0.181 4.522 4.340 0.001 0.000 0.314 501 R C 0.121 176.440 176.300 0.031 0.000 1.069 501 R CA -0.108 56.031 56.100 0.066 0.000 0.959 501 R CB 0.555 30.893 30.300 0.064 0.000 0.987 501 R HN 0.554 nan 8.270 nan 0.000 0.446 502 L N 2.274 123.502 121.223 0.009 0.000 2.515 502 L HA 0.190 4.531 4.340 0.001 0.000 0.223 502 L C 0.316 177.184 176.870 -0.003 0.000 1.079 502 L CA 1.003 55.840 54.840 -0.004 0.000 0.857 502 L CB 0.242 42.287 42.059 -0.023 0.000 1.050 502 L HN 0.352 nan 8.230 nan 0.000 0.476 503 K N -0.211 120.189 120.400 0.000 0.000 2.541 503 K HA 0.468 4.789 4.320 0.001 0.000 0.250 503 K C -0.322 176.283 176.600 0.008 0.000 0.950 503 K CA -0.582 55.705 56.287 0.001 0.000 0.805 503 K CB 1.428 33.925 32.500 -0.006 0.000 1.166 503 K HN 0.009 nan 8.250 nan 0.000 0.430 504 G N 1.135 109.940 108.800 0.009 0.000 2.432 504 G HA2 0.443 4.404 3.960 0.001 0.000 0.239 504 G HA3 0.443 4.404 3.960 0.001 0.000 0.239 504 G C -0.062 174.845 174.900 0.011 0.000 1.291 504 G CA 0.304 45.412 45.100 0.013 0.000 0.863 504 G HN 0.748 nan 8.290 nan 0.000 0.560 505 G N 1.543 110.352 108.800 0.014 0.000 2.088 505 G HA2 0.284 4.245 3.960 0.001 0.000 0.222 505 G HA3 0.284 4.245 3.960 0.001 0.000 0.222 505 G C -0.857 174.053 174.900 0.017 0.000 1.690 505 G CA -0.705 44.403 45.100 0.012 0.000 0.923 505 G HN 0.584 nan 8.290 nan 0.000 0.730 506 D N 0.212 120.621 120.400 0.016 0.000 2.539 506 D HA 0.483 5.124 4.640 0.001 0.000 0.280 506 D C 0.968 177.276 176.300 0.013 0.000 1.208 506 D CA 0.414 54.425 54.000 0.017 0.000 1.088 506 D CB 1.159 41.969 40.800 0.016 0.000 1.149 506 D HN 0.497 nan 8.370 nan 0.000 0.596 507 D N -1.821 118.586 120.400 0.012 0.000 3.671 507 D HA -0.198 4.443 4.640 0.001 0.000 0.204 507 D C -0.628 175.677 176.300 0.008 0.000 1.267 507 D CA 1.165 55.170 54.000 0.008 0.000 2.305 507 D CB -0.383 40.420 40.800 0.005 0.000 1.237 507 D HN 0.181 nan 8.370 nan 0.000 0.443 508 V N 1.288 121.206 119.914 0.008 0.000 2.569 508 V HA 0.588 4.709 4.120 0.001 0.000 0.301 508 V C -0.060 176.040 176.094 0.010 0.000 1.044 508 V CA -0.733 61.572 62.300 0.008 0.000 0.874 508 V CB 2.259 34.084 31.823 0.003 0.000 1.002 508 V HN 0.095 nan 8.190 nan 0.000 0.424 509 V N 5.757 125.679 119.914 0.014 0.000 2.483 509 V HA 0.510 4.631 4.120 0.001 0.000 0.297 509 V C -0.083 176.016 176.094 0.009 0.000 1.027 509 V CA -0.477 61.833 62.300 0.016 0.000 0.855 509 V CB 1.941 33.783 31.823 0.033 0.000 0.995 509 V HN 0.719 nan 8.190 nan 0.000 0.424 510 I N 5.477 126.045 120.570 -0.003 0.000 2.519 510 I HA 0.341 4.512 4.170 0.001 0.000 0.287 510 I C -0.504 175.591 176.117 -0.036 0.000 1.047 510 I CA -0.143 61.148 61.300 -0.015 0.000 1.381 510 I CB 0.849 38.834 38.000 -0.023 0.000 1.417 510 I HN 0.379 nan 8.210 nan 0.000 0.540 511 L N 6.577 127.782 121.223 -0.030 0.000 2.372 511 L HA 0.786 5.127 4.340 0.001 0.000 0.273 511 L C -0.426 176.368 176.870 -0.127 0.000 0.989 511 L CA -0.385 54.399 54.840 -0.094 0.000 0.841 511 L CB 1.454 43.509 42.059 -0.006 0.000 1.225 511 L HN 0.726 nan 8.230 nan 0.000 0.414 512 A N 2.131 124.772 122.820 -0.299 0.000 2.540 512 A HA 0.874 5.195 4.320 0.001 0.000 0.297 512 A C -0.570 176.758 177.584 -0.426 0.000 1.056 512 A CA -0.212 51.600 52.037 -0.374 0.000 0.700 512 A CB 1.759 20.635 19.000 -0.205 0.000 1.280 512 A HN 0.686 nan 8.150 nan 0.000 0.398 513 G N -0.308 108.188 108.800 -0.506 0.000 2.685 513 G HA2 0.833 4.793 3.960 0.001 0.000 0.298 513 G HA3 0.833 4.793 3.960 0.001 0.000 0.298 513 G C 0.637 175.341 174.900 -0.326 0.000 1.277 513 G CA 0.058 44.911 45.100 -0.410 0.000 0.986 513 G HN 2.414 nan 8.290 nan 0.000 0.487 514 G N -0.145 108.495 108.800 -0.265 0.000 2.566 514 G HA2 -0.324 3.637 3.960 0.001 0.000 0.280 514 G HA3 -0.324 3.637 3.960 0.001 0.000 0.280 514 G C 1.234 176.016 174.900 -0.197 0.000 1.225 514 G CA 0.905 45.868 45.100 -0.228 0.000 0.966 514 G HN 0.879 nan 8.290 nan 0.000 0.560 515 K N 0.128 120.404 120.400 -0.207 0.000 2.032 515 K HA 0.036 4.357 4.320 0.001 0.000 0.209 515 K C 3.101 179.455 176.600 -0.411 0.000 1.048 515 K CA 2.298 58.416 56.287 -0.281 0.000 0.927 515 K CB -0.602 31.759 32.500 -0.233 0.000 0.712 515 K HN 0.957 nan 8.250 nan 0.000 0.441 516 A N 1.002 123.654 122.820 -0.280 0.000 2.042 516 A HA -0.196 4.125 4.320 0.001 0.000 0.222 516 A C 1.953 179.438 177.584 -0.165 0.000 1.167 516 A CA 1.438 53.370 52.037 -0.174 0.000 0.649 516 A CB -0.530 18.372 19.000 -0.162 0.000 0.809 516 A HN 0.382 nan 8.150 nan 0.000 0.457 517 L N -0.082 121.014 121.223 -0.211 0.000 2.072 517 L HA -0.085 4.256 4.340 0.001 0.000 0.205 517 L C 1.619 178.403 176.870 -0.144 0.000 1.079 517 L CA 2.310 57.047 54.840 -0.172 0.000 0.752 517 L CB -0.755 41.195 42.059 -0.182 0.000 0.906 517 L HN 0.318 nan 8.230 nan 0.000 0.436 518 D N -0.917 119.359 120.400 -0.206 0.000 2.116 518 D HA -0.273 4.368 4.640 0.001 0.000 0.193 518 D C 2.170 178.395 176.300 -0.125 0.000 0.998 518 D CA 2.047 55.927 54.000 -0.201 0.000 0.836 518 D CB -0.397 40.221 40.800 -0.304 0.000 0.951 518 D HN 0.495 nan 8.370 nan 0.000 0.449 519 Y N 1.250 121.505 120.300 -0.076 0.000 2.114 519 Y HA -0.189 4.362 4.550 0.001 0.000 0.284 519 Y C 2.702 178.561 175.900 -0.068 0.000 1.143 519 Y CA 0.668 58.722 58.100 -0.076 0.000 1.135 519 Y CB -0.281 38.113 38.460 -0.111 0.000 0.980 519 Y HN -0.070 nan 8.280 nan 0.000 0.499 520 A N 0.456 123.316 122.820 0.068 0.000 1.908 520 A HA -0.200 4.121 4.320 0.001 0.000 0.218 520 A C 2.206 179.789 177.584 -0.001 0.000 1.181 520 A CA 1.731 53.775 52.037 0.011 0.000 0.627 520 A CB -1.109 17.870 19.000 -0.036 0.000 0.818 520 A HN 0.475 nan 8.150 nan 0.000 0.445 521 L N -1.017 120.197 121.223 -0.015 0.000 2.005 521 L HA -0.158 4.183 4.340 0.001 0.000 0.207 521 L C 2.619 179.489 176.870 0.000 0.000 1.072 521 L CA 1.849 56.679 54.840 -0.017 0.000 0.744 521 L CB -0.400 41.640 42.059 -0.032 0.000 0.895 521 L HN 0.359 nan 8.230 nan 0.000 0.433 522 K N -0.158 120.251 120.400 0.016 0.000 2.280 522 K HA -0.164 4.157 4.320 0.001 0.000 0.202 522 K C 1.929 178.546 176.600 0.028 0.000 1.047 522 K CA 1.074 57.379 56.287 0.029 0.000 0.942 522 K CB 0.047 32.581 32.500 0.058 0.000 0.739 522 K HN 0.333 nan 8.250 nan 0.000 0.457 523 A N 0.483 123.320 122.820 0.028 0.000 1.887 523 A HA 0.099 4.420 4.320 0.001 0.000 0.212 523 A C 2.132 179.719 177.584 0.005 0.000 1.198 523 A CA 1.086 53.132 52.037 0.015 0.000 0.628 523 A CB -0.375 18.633 19.000 0.014 0.000 0.847 523 A HN 0.315 nan 8.150 nan 0.000 0.449 524 A N -0.360 122.461 122.820 0.002 0.000 2.209 524 A HA -0.031 4.290 4.320 0.001 0.000 0.212 524 A C 1.658 179.240 177.584 -0.002 0.000 1.158 524 A CA 1.265 53.301 52.037 -0.002 0.000 0.742 524 A CB -0.579 18.418 19.000 -0.006 0.000 0.790 524 A HN 0.652 nan 8.150 nan 0.000 0.472 525 E N -0.119 120.081 120.200 -0.000 0.000 2.236 525 E HA -0.286 4.065 4.350 0.001 0.000 0.205 525 E C 0.793 177.392 176.600 -0.002 0.000 1.028 525 E CA 1.820 58.219 56.400 -0.001 0.000 0.827 525 E CB 0.024 29.725 29.700 0.002 0.000 0.735 525 E HN 0.661 nan 8.360 nan 0.000 0.470 526 D N -0.905 119.494 120.400 -0.001 0.000 2.463 526 D HA 0.074 4.715 4.640 0.001 0.000 0.237 526 D C 0.294 176.593 176.300 -0.002 0.000 1.013 526 D CA 0.045 54.044 54.000 -0.002 0.000 0.910 526 D CB 0.217 41.016 40.800 -0.001 0.000 1.080 526 D HN 0.124 nan 8.370 nan 0.000 0.498 527 L N 3.934 125.156 121.223 -0.002 0.000 2.433 527 L HA 0.114 4.455 4.340 0.001 0.000 0.275 527 L C -1.109 175.760 176.870 -0.001 0.000 1.128 527 L CA -1.046 53.793 54.840 -0.002 0.000 0.875 527 L CB 0.493 42.550 42.059 -0.002 0.000 1.171 527 L HN -0.091 nan 8.230 nan 0.000 0.463 528 P HA -0.090 nan 4.420 nan 0.000 0.215 528 P C 1.301 178.602 177.300 0.002 0.000 1.157 528 P CA 1.012 64.113 63.100 0.000 0.000 0.856 528 P CB 0.204 31.904 31.700 0.001 0.000 0.786 529 G N 0.109 108.910 108.800 0.002 0.000 2.916 529 G HA2 0.080 4.041 3.960 0.001 0.000 0.205 529 G HA3 0.080 4.041 3.960 0.001 0.000 0.205 529 G C 0.317 175.219 174.900 0.003 0.000 1.163 529 G CA 0.006 45.107 45.100 0.003 0.000 0.821 529 G HN 0.201 nan 8.290 nan 0.000 0.515 530 V N 0.743 120.658 119.914 0.002 0.000 2.370 530 V HA 0.624 4.745 4.120 0.001 0.000 0.279 530 V C 0.830 176.925 176.094 0.002 0.000 1.029 530 V CA -0.611 61.690 62.300 0.001 0.000 0.870 530 V CB 1.219 33.041 31.823 -0.001 0.000 0.984 530 V HN 0.195 nan 8.190 nan 0.000 0.451 531 G N 3.685 112.488 108.800 0.004 0.000 2.400 531 G HA2 0.601 4.561 3.960 0.001 0.000 0.301 531 G HA3 0.601 4.561 3.960 0.001 0.000 0.301 531 G C -0.993 173.906 174.900 -0.001 0.000 1.154 531 G CA -0.373 44.731 45.100 0.006 0.000 0.852 531 G HN 0.576 nan 8.290 nan 0.000 0.511 532 V N 1.357 121.268 119.914 -0.006 0.000 2.577 532 V HA 0.429 4.549 4.120 0.001 0.000 0.303 532 V C -0.448 175.630 176.094 -0.026 0.000 1.042 532 V CA -0.719 61.566 62.300 -0.025 0.000 0.872 532 V CB 1.801 33.603 31.823 -0.035 0.000 0.998 532 V HN 0.551 nan 8.190 nan 0.000 0.423 533 V N 3.458 123.339 119.914 -0.054 0.000 2.409 533 V HA 0.375 4.495 4.120 0.001 0.000 0.291 533 V C 0.211 176.196 176.094 -0.183 0.000 1.020 533 V CA -0.745 61.518 62.300 -0.062 0.000 0.848 533 V CB 1.870 33.686 31.823 -0.011 0.000 0.990 533 V HN 0.917 nan 8.190 nan 0.000 0.430 534 N N 4.396 123.013 118.700 -0.137 0.000 2.434 534 N HA 0.115 4.856 4.740 0.001 0.000 0.273 534 N C 0.626 175.947 175.510 -0.315 0.000 1.210 534 N CA 0.116 53.041 53.050 -0.208 0.000 0.992 534 N CB 0.975 39.380 38.487 -0.136 0.000 1.355 534 N HN 0.812 nan 8.380 nan 0.000 0.495 535 A N 4.169 126.629 122.820 -0.600 0.000 2.810 535 A HA 0.076 4.397 4.320 0.001 0.000 0.247 535 A C 1.854 179.073 177.584 -0.609 0.000 1.576 535 A CA -0.330 51.112 52.037 -0.991 0.000 1.294 535 A CB -0.708 17.483 19.000 -1.348 0.000 0.976 535 A HN 0.837 nan 8.150 nan 0.000 0.631 536 R N -0.492 119.746 120.500 -0.437 0.000 2.323 536 R HA -0.243 4.098 4.340 0.001 0.000 0.259 536 R C -0.606 175.261 176.300 -0.723 0.000 1.104 536 R CA 2.051 57.750 56.100 -0.668 0.000 0.961 536 R CB -0.252 29.521 30.300 -0.880 0.000 0.929 536 R HN 0.605 nan 8.270 nan 0.000 0.457 537 F N -1.028 118.987 119.950 0.108 0.000 2.430 537 F HA 0.173 4.700 4.527 0.001 0.000 0.362 537 F C 0.962 176.962 175.800 0.334 0.000 1.103 537 F CA -0.934 57.125 58.000 0.099 0.000 1.045 537 F CB 1.793 40.759 39.000 -0.056 0.000 1.276 537 F HN -0.276 nan 8.300 nan 0.000 0.444 538 V N 1.750 121.879 119.914 0.358 0.000 2.343 538 V HA -0.187 3.933 4.120 0.001 0.000 0.247 538 V C 0.585 176.911 176.094 0.386 0.000 1.051 538 V CA 1.599 64.125 62.300 0.377 0.000 1.036 538 V CB -0.268 31.685 31.823 0.216 0.000 0.654 538 V HN 0.537 nan 8.190 nan 0.000 0.451 539 K N 0.814 121.434 120.400 0.367 0.000 2.601 539 K HA 0.381 4.702 4.320 0.001 0.000 0.249 539 K C -3.010 173.799 176.600 0.349 0.000 0.966 539 K CA -1.921 54.536 56.287 0.284 0.000 0.827 539 K CB 2.394 35.005 32.500 0.185 0.000 1.178 539 K HN -0.015 nan 8.250 nan 0.000 0.437 540 P HA 0.188 nan 4.420 nan 0.000 0.278 540 P C -0.548 176.855 177.300 0.172 0.000 1.266 540 P CA -0.580 62.607 63.100 0.144 0.000 0.807 540 P CB 0.870 32.606 31.700 0.060 0.000 1.094 541 L N 0.507 121.811 121.223 0.135 0.000 2.436 541 L HA 0.183 4.524 4.340 0.001 0.000 0.265 541 L C 1.217 177.902 176.870 -0.308 0.000 1.168 541 L CA -0.066 54.839 54.840 0.108 0.000 0.815 541 L CB -0.130 42.050 42.059 0.201 0.000 1.109 541 L HN 0.324 nan 8.230 nan 0.000 0.462 542 D N 1.941 121.685 120.400 -1.094 0.000 2.455 542 D HA -0.023 4.617 4.640 0.001 0.000 0.234 542 D C 0.910 176.864 176.300 -0.577 0.000 1.224 542 D CA 0.153 53.510 54.000 -1.072 0.000 0.999 542 D CB 0.581 40.132 40.800 -2.081 0.000 1.072 542 D HN 0.446 nan 8.370 nan 0.000 0.514 543 E N 2.173 122.203 120.200 -0.285 0.000 2.001 543 E HA -0.171 4.179 4.350 0.001 0.000 0.195 543 E C 1.405 177.942 176.600 -0.105 0.000 1.002 543 E CA 0.850 57.170 56.400 -0.134 0.000 0.819 543 E CB 0.138 29.791 29.700 -0.079 0.000 0.769 543 E HN 0.566 nan 8.360 nan 0.000 0.454 544 E N 0.249 120.386 120.200 -0.105 0.000 2.273 544 E HA -0.180 4.171 4.350 0.001 0.000 0.198 544 E C 1.902 178.468 176.600 -0.057 0.000 1.002 544 E CA 0.658 57.019 56.400 -0.065 0.000 0.828 544 E CB -0.162 29.504 29.700 -0.056 0.000 0.747 544 E HN 0.265 nan 8.360 nan 0.000 0.491 545 M N -0.154 119.382 119.600 -0.106 0.000 2.394 545 M HA -0.076 4.405 4.480 0.001 0.000 0.266 545 M C 2.064 178.400 176.300 0.060 0.000 1.098 545 M CA 0.358 55.635 55.300 -0.039 0.000 1.149 545 M CB 0.091 32.636 32.600 -0.092 0.000 1.369 545 M HN 0.093 nan 8.290 nan 0.000 0.450 546 L N 0.872 122.129 121.223 0.056 0.000 2.017 546 L HA -0.174 4.166 4.340 0.001 0.000 0.208 546 L C 2.396 179.317 176.870 0.085 0.000 1.073 546 L CA 1.962 56.889 54.840 0.145 0.000 0.745 546 L CB -0.948 41.204 42.059 0.154 0.000 0.894 546 L HN 0.250 nan 8.230 nan 0.000 0.432 547 R N -0.066 120.460 120.500 0.043 0.000 2.134 547 R HA -0.253 4.088 4.340 0.001 0.000 0.248 547 R C 2.357 178.681 176.300 0.039 0.000 1.143 547 R CA 2.307 58.427 56.100 0.034 0.000 0.957 547 R CB -0.621 29.687 30.300 0.014 0.000 0.867 547 R HN 0.612 nan 8.270 nan 0.000 0.441 548 E N -0.630 119.593 120.200 0.039 0.000 2.072 548 E HA -0.119 4.232 4.350 0.001 0.000 0.190 548 E C 1.841 178.473 176.600 0.054 0.000 0.982 548 E CA 1.467 57.891 56.400 0.040 0.000 0.803 548 E CB 0.139 29.860 29.700 0.034 0.000 0.755 548 E HN 0.292 nan 8.360 nan 0.000 0.453 549 V N 0.408 120.369 119.914 0.078 0.000 2.283 549 V HA -0.146 3.975 4.120 0.001 0.000 0.243 549 V C 2.435 178.568 176.094 0.065 0.000 1.039 549 V CA 1.928 64.279 62.300 0.085 0.000 1.016 549 V CB -0.757 31.144 31.823 0.130 0.000 0.650 549 V HN 0.445 nan 8.190 nan 0.000 0.449 550 G N -0.451 108.390 108.800 0.068 0.000 2.509 550 G HA2 -0.064 3.897 3.960 0.001 0.000 0.218 550 G HA3 -0.064 3.897 3.960 0.001 0.000 0.218 550 G C 1.527 176.450 174.900 0.038 0.000 1.124 550 G CA 0.850 45.982 45.100 0.052 0.000 0.776 550 G HN 0.581 nan 8.290 nan 0.000 0.547 551 G N 1.369 110.192 108.800 0.038 0.000 2.480 551 G HA2 -0.157 3.803 3.960 0.001 0.000 0.216 551 G HA3 -0.157 3.803 3.960 0.001 0.000 0.216 551 G C 1.244 176.155 174.900 0.019 0.000 1.200 551 G CA 0.556 45.672 45.100 0.028 0.000 0.782 551 G HN 0.594 nan 8.290 nan 0.000 0.554 552 R N -0.449 120.064 120.500 0.022 0.000 2.790 552 R HA 0.716 5.057 4.340 0.001 0.000 0.274 552 R C -0.998 175.313 176.300 0.018 0.000 1.334 552 R CA -0.123 55.986 56.100 0.016 0.000 1.543 552 R CB 0.645 30.954 30.300 0.015 0.000 1.154 552 R HN 0.252 nan 8.270 nan 0.000 0.601 553 A N 2.173 125.002 122.820 0.015 0.000 2.500 553 A HA 0.261 4.581 4.320 0.001 0.000 0.291 553 A C 0.366 177.954 177.584 0.007 0.000 1.048 553 A CA -0.913 51.132 52.037 0.014 0.000 0.791 553 A CB 1.482 20.496 19.000 0.023 0.000 1.309 553 A HN 0.661 nan 8.150 nan 0.000 0.397 554 R N 1.299 121.800 120.500 0.002 0.000 2.094 554 R HA 0.016 4.356 4.340 0.001 0.000 0.239 554 R C 0.711 177.009 176.300 -0.003 0.000 1.137 554 R CA 2.290 58.387 56.100 -0.004 0.000 0.943 554 R CB -0.004 30.293 30.300 -0.004 0.000 0.850 554 R HN 1.157 nan 8.270 nan 0.000 0.433 555 A N -0.224 122.597 122.820 0.001 0.000 2.515 555 A HA 0.651 4.972 4.320 0.001 0.000 0.296 555 A C -1.409 176.179 177.584 0.007 0.000 1.094 555 A CA -0.841 51.197 52.037 0.002 0.000 0.718 555 A CB 1.567 20.566 19.000 -0.001 0.000 1.307 555 A HN 0.202 nan 8.150 nan 0.000 0.408 556 L N 0.643 121.871 121.223 0.007 0.000 2.370 556 L HA 0.661 5.002 4.340 0.001 0.000 0.266 556 L C -1.122 175.749 176.870 0.001 0.000 1.002 556 L CA -0.482 54.363 54.840 0.009 0.000 0.818 556 L CB 2.085 44.153 42.059 0.014 0.000 1.325 556 L HN 0.588 nan 8.230 nan 0.000 0.418 557 I N 1.216 121.787 120.570 0.003 0.000 2.439 557 I HA 0.292 4.463 4.170 0.001 0.000 0.285 557 I C 0.130 176.257 176.117 0.016 0.000 1.021 557 I CA -0.387 60.914 61.300 0.002 0.000 1.091 557 I CB 2.276 40.275 38.000 -0.001 0.000 1.242 557 I HN 0.637 nan 8.210 nan 0.000 0.439 558 T N 3.303 117.870 114.554 0.022 0.000 2.922 558 T HA 0.741 5.092 4.350 0.001 0.000 0.285 558 T C -0.382 174.373 174.700 0.092 0.000 1.005 558 T CA -0.617 61.541 62.100 0.097 0.000 1.061 558 T CB 1.791 70.675 68.868 0.027 0.000 1.007 558 T HN 0.240 nan 8.240 nan 0.000 0.502 559 V N 3.054 123.039 119.914 0.118 0.000 2.612 559 V HA 0.542 4.663 4.120 0.001 0.000 0.301 559 V C -0.615 175.474 176.094 -0.008 0.000 1.059 559 V CA -0.915 61.403 62.300 0.031 0.000 0.886 559 V CB 1.408 33.221 31.823 -0.017 0.000 1.007 559 V HN 1.132 nan 8.190 nan 0.000 0.426 560 E N 1.790 121.992 120.200 0.004 0.000 2.314 560 E HA 0.512 4.863 4.350 0.001 0.000 0.272 560 E C -1.281 175.285 176.600 -0.057 0.000 0.884 560 E CA -0.894 55.476 56.400 -0.049 0.000 0.753 560 E CB 2.626 32.352 29.700 0.044 0.000 1.213 560 E HN 0.396 nan 8.360 nan 0.000 0.432 561 D N 1.862 122.209 120.400 -0.089 0.000 2.713 561 D HA 0.244 4.884 4.640 0.001 0.000 0.229 561 D C -1.207 175.058 176.300 -0.060 0.000 1.136 561 D CA 0.229 54.205 54.000 -0.040 0.000 1.010 561 D CB -0.626 40.144 40.800 -0.049 0.000 1.084 561 D HN 0.519 nan 8.370 nan 0.000 0.495 562 N N -0.893 117.766 118.700 -0.068 0.000 3.046 562 N HA 0.201 4.942 4.740 0.001 0.000 0.243 562 N C -1.197 174.233 175.510 -0.133 0.000 1.452 562 N CA -0.644 52.330 53.050 -0.127 0.000 0.882 562 N CB 1.411 39.844 38.487 -0.091 0.000 1.425 562 N HN -0.149 nan 8.380 nan 0.000 0.517 563 T N 0.178 114.608 114.554 -0.207 0.000 2.932 563 T HA 0.084 4.435 4.350 0.001 0.000 0.312 563 T C 1.322 175.989 174.700 -0.054 0.000 1.071 563 T CA -0.137 61.874 62.100 -0.149 0.000 1.128 563 T CB 0.409 69.192 68.868 -0.143 0.000 0.984 563 T HN 0.258 nan 8.240 nan 0.000 0.549 564 V N 4.420 124.313 119.914 -0.035 0.000 2.490 564 V HA -0.055 4.065 4.120 0.001 0.000 0.250 564 V C 1.206 177.296 176.094 -0.006 0.000 1.061 564 V CA 1.087 63.377 62.300 -0.016 0.000 1.064 564 V CB -0.206 31.606 31.823 -0.018 0.000 0.670 564 V HN 0.675 nan 8.190 nan 0.000 0.461 565 V N 1.411 121.328 119.914 0.004 0.000 2.415 565 V HA 0.457 4.578 4.120 0.001 0.000 0.267 565 V C 1.476 177.589 176.094 0.032 0.000 1.042 565 V CA 0.898 63.208 62.300 0.018 0.000 1.000 565 V CB -0.221 31.620 31.823 0.029 0.000 1.015 565 V HN 0.668 nan 8.190 nan 0.000 0.478 566 G N 4.109 112.920 108.800 0.019 0.000 2.186 566 G HA2 -0.244 3.717 3.960 0.001 0.000 0.266 566 G HA3 -0.244 3.717 3.960 0.001 0.000 0.266 566 G C 0.726 175.643 174.900 0.029 0.000 0.982 566 G CA 0.571 45.686 45.100 0.025 0.000 0.670 566 G HN 1.182 nan 8.290 nan 0.000 0.533 567 G N -0.541 108.274 108.800 0.026 0.000 2.803 567 G HA2 0.400 4.361 3.960 0.001 0.000 0.177 567 G HA3 0.400 4.361 3.960 0.001 0.000 0.177 567 G C 0.963 175.911 174.900 0.080 0.000 1.629 567 G CA 0.492 45.618 45.100 0.043 0.000 1.077 567 G HN 0.559 nan 8.290 nan 0.000 0.556 568 F N 1.468 121.392 119.950 -0.043 0.000 2.113 568 F HA 0.076 4.603 4.527 0.001 0.000 0.297 568 F C 2.581 178.363 175.800 -0.029 0.000 1.103 568 F CA 1.990 59.966 58.000 -0.040 0.000 1.248 568 F CB -0.654 38.296 39.000 -0.083 0.000 0.999 568 F HN 0.289 nan 8.300 nan 0.000 0.475 569 G N -0.146 108.544 108.800 -0.183 0.000 2.469 569 G HA2 -0.260 3.701 3.960 0.001 0.000 0.219 569 G HA3 -0.260 3.701 3.960 0.001 0.000 0.219 569 G C 1.951 176.720 174.900 -0.218 0.000 1.150 569 G CA 0.814 45.757 45.100 -0.262 0.000 0.763 569 G HN 0.657 nan 8.290 nan 0.000 0.561 570 G N 1.139 109.867 108.800 -0.119 0.000 2.440 570 G HA2 -0.000 3.961 3.960 0.001 0.000 0.218 570 G HA3 -0.000 3.961 3.960 0.001 0.000 0.218 570 G C 2.081 176.922 174.900 -0.098 0.000 1.154 570 G CA 1.631 46.682 45.100 -0.080 0.000 0.767 570 G HN 0.692 nan 8.290 nan 0.000 0.552 571 A N 0.089 122.839 122.820 -0.116 0.000 1.883 571 A HA 0.016 4.337 4.320 0.001 0.000 0.217 571 A C 2.637 180.146 177.584 -0.124 0.000 1.186 571 A CA 2.004 53.992 52.037 -0.082 0.000 0.624 571 A CB -0.759 18.232 19.000 -0.015 0.000 0.822 571 A HN 0.283 nan 8.150 nan 0.000 0.444 572 V N 0.161 119.901 119.914 -0.289 0.000 2.255 572 V HA -0.282 3.838 4.120 0.001 0.000 0.247 572 V C 2.591 178.617 176.094 -0.113 0.000 1.051 572 V CA 2.103 64.265 62.300 -0.229 0.000 1.018 572 V CB -0.794 30.791 31.823 -0.396 0.000 0.641 572 V HN 0.586 nan 8.190 nan 0.000 0.445 573 L N -0.422 120.729 121.223 -0.119 0.000 2.083 573 L HA -0.210 4.131 4.340 0.001 0.000 0.209 573 L C 2.535 179.372 176.870 -0.054 0.000 1.083 573 L CA 1.697 56.494 54.840 -0.071 0.000 0.752 573 L CB -0.667 41.353 42.059 -0.066 0.000 0.899 573 L HN 0.406 nan 8.230 nan 0.000 0.433 574 E N 0.069 120.239 120.200 -0.050 0.000 2.150 574 E HA -0.168 4.183 4.350 0.001 0.000 0.193 574 E C 2.297 178.881 176.600 -0.025 0.000 0.985 574 E CA 0.997 57.377 56.400 -0.034 0.000 0.814 574 E CB -0.098 29.589 29.700 -0.022 0.000 0.752 574 E HN 0.508 nan 8.360 nan 0.000 0.466 575 A N 1.270 124.079 122.820 -0.017 0.000 1.854 575 A HA -0.121 4.199 4.320 0.001 0.000 0.214 575 A C 2.187 179.769 177.584 -0.005 0.000 1.192 575 A CA 0.852 52.888 52.037 -0.001 0.000 0.611 575 A CB -0.718 18.296 19.000 0.023 0.000 0.832 575 A HN 0.120 nan 8.150 nan 0.000 0.442 576 L N 0.291 121.512 121.223 -0.004 0.000 2.129 576 L HA -0.260 4.081 4.340 0.001 0.000 0.212 576 L C 2.580 179.434 176.870 -0.025 0.000 1.087 576 L CA 1.652 56.496 54.840 0.007 0.000 0.757 576 L CB -0.668 41.401 42.059 0.018 0.000 0.896 576 L HN 0.599 nan 8.230 nan 0.000 0.434 577 N N 0.050 118.714 118.700 -0.061 0.000 2.171 577 N HA -0.152 4.589 4.740 0.001 0.000 0.184 577 N C 1.819 177.279 175.510 -0.083 0.000 1.021 577 N CA 1.493 54.474 53.050 -0.115 0.000 0.854 577 N CB 0.140 38.562 38.487 -0.109 0.000 0.994 577 N HN 0.356 nan 8.380 nan 0.000 0.426 578 S N -0.414 115.258 115.700 -0.046 0.000 2.660 578 S HA 0.089 4.560 4.470 0.001 0.000 0.223 578 S C 1.453 176.043 174.600 -0.017 0.000 0.963 578 S CA 0.191 58.373 58.200 -0.030 0.000 0.932 578 S CB -0.108 63.080 63.200 -0.020 0.000 0.775 578 S HN 0.325 nan 8.310 nan 0.000 0.531 579 M N 0.573 120.166 119.600 -0.013 0.000 2.306 579 M HA 0.317 4.798 4.480 0.001 0.000 0.292 579 M C -0.081 176.234 176.300 0.025 0.000 1.018 579 M CA -0.227 55.078 55.300 0.008 0.000 1.007 579 M CB 0.105 32.716 32.600 0.018 0.000 1.510 579 M HN 0.097 nan 8.290 nan 0.000 0.537 580 N N 2.156 120.860 118.700 0.007 0.000 2.708 580 N HA -0.174 4.567 4.740 0.001 0.000 0.249 580 N C -0.713 174.926 175.510 0.216 0.000 1.097 580 N CA 0.794 53.874 53.050 0.049 0.000 0.710 580 N CB -0.900 37.620 38.487 0.054 0.000 1.032 580 N HN 0.387 nan 8.380 nan 0.000 0.551 581 L N 1.940 123.299 121.223 0.226 0.000 2.388 581 L HA 0.290 4.631 4.340 0.001 0.000 0.267 581 L C -0.757 176.286 176.870 0.288 0.000 0.995 581 L CA -0.670 54.308 54.840 0.230 0.000 0.864 581 L CB 0.627 42.746 42.059 0.101 0.000 1.216 581 L HN 0.130 nan 8.230 nan 0.000 0.430 582 H N 3.636 122.706 119.070 0.001 0.000 3.078 582 H HA 0.646 5.203 4.556 0.001 0.000 0.319 582 H C -2.897 172.430 175.328 -0.002 0.000 0.995 582 H CA -2.168 53.879 56.048 -0.002 0.000 1.417 582 H CB 0.519 30.278 29.762 -0.005 0.000 1.598 582 H HN 0.408 nan 8.280 nan 0.000 0.515 583 P HA 0.273 nan 4.420 nan 0.000 0.310 583 P C -0.270 177.033 177.300 0.005 0.000 1.309 583 P CA -0.548 62.544 63.100 -0.013 0.000 0.769 583 P CB 0.756 32.458 31.700 0.002 0.000 1.327 584 T N -0.151 114.401 114.554 -0.004 0.000 2.916 584 T HA 0.318 4.669 4.350 0.001 0.000 0.303 584 T C 0.017 174.720 174.700 0.005 0.000 1.025 584 T CA -0.083 62.018 62.100 0.001 0.000 1.142 584 T CB 0.017 68.882 68.868 -0.005 0.000 0.947 584 T HN 0.193 nan 8.240 nan 0.000 0.544 585 V N 4.509 124.426 119.914 0.004 0.000 2.524 585 V HA 0.412 4.533 4.120 0.001 0.000 0.297 585 V C -0.232 175.857 176.094 -0.009 0.000 1.035 585 V CA -1.071 61.227 62.300 -0.003 0.000 0.867 585 V CB 1.621 33.440 31.823 -0.007 0.000 1.004 585 V HN 0.667 nan 8.190 nan 0.000 0.426 586 R N 2.930 123.424 120.500 -0.010 0.000 2.265 586 R HA 0.595 4.936 4.340 0.001 0.000 0.319 586 R C -0.820 175.471 176.300 -0.015 0.000 1.006 586 R CA -0.564 55.529 56.100 -0.012 0.000 0.880 586 R CB 1.860 32.154 30.300 -0.010 0.000 1.077 586 R HN 0.502 nan 8.270 nan 0.000 0.454 587 V N 5.632 125.536 119.914 -0.017 0.000 2.311 587 V HA 0.265 4.386 4.120 0.001 0.000 0.275 587 V C 0.020 176.108 176.094 -0.010 0.000 1.022 587 V CA -0.721 61.568 62.300 -0.018 0.000 0.830 587 V CB 1.269 33.075 31.823 -0.029 0.000 1.012 587 V HN 0.380 nan 8.190 nan 0.000 0.452 588 L N 4.484 125.706 121.223 -0.002 0.000 2.309 588 L HA 0.954 5.295 4.340 0.001 0.000 0.282 588 L C 0.624 177.495 176.870 0.001 0.000 1.036 588 L CA 0.462 55.299 54.840 -0.006 0.000 0.806 588 L CB 1.031 43.082 42.059 -0.014 0.000 1.220 588 L HN 0.792 nan 8.230 nan 0.000 0.429 589 G N 2.845 111.642 108.800 -0.005 0.000 2.428 589 G HA2 0.393 4.353 3.960 0.001 0.000 0.304 589 G HA3 0.393 4.353 3.960 0.001 0.000 0.304 589 G C -1.316 173.581 174.900 -0.005 0.000 1.303 589 G CA -0.710 44.387 45.100 -0.004 0.000 0.825 589 G HN 0.185 nan 8.290 nan 0.000 0.484 590 I N 2.552 123.113 120.570 -0.016 0.000 2.396 590 I HA 0.266 4.436 4.170 0.001 0.000 0.289 590 I C -1.742 174.345 176.117 -0.050 0.000 1.056 590 I CA -2.430 58.853 61.300 -0.029 0.000 1.365 590 I CB 0.344 38.306 38.000 -0.062 0.000 1.407 590 I HN 0.187 nan 8.210 nan 0.000 0.509 591 P HA -0.042 nan 4.420 nan 0.000 0.269 591 P C -0.064 177.204 177.300 -0.052 0.000 1.217 591 P CA -0.176 62.902 63.100 -0.036 0.000 0.783 591 P CB 0.788 32.473 31.700 -0.025 0.000 0.898 592 D N 0.703 121.075 120.400 -0.046 0.000 2.848 592 D HA 0.019 4.659 4.640 0.001 0.000 0.232 592 D C -0.147 176.098 176.300 -0.092 0.000 1.107 592 D CA 0.586 54.552 54.000 -0.057 0.000 1.020 592 D CB -0.662 40.116 40.800 -0.037 0.000 1.148 592 D HN 0.289 nan 8.370 nan 0.000 0.453 593 E N 0.455 120.587 120.200 -0.113 0.000 2.375 593 E HA 0.176 4.527 4.350 0.001 0.000 0.280 593 E C -0.756 175.789 176.600 -0.092 0.000 0.972 593 E CA -0.781 55.558 56.400 -0.102 0.000 0.782 593 E CB 0.798 30.484 29.700 -0.022 0.000 1.229 593 E HN -0.071 nan 8.360 nan 0.000 0.439 594 F N 1.191 121.191 119.950 0.083 0.000 2.480 594 F HA 0.146 4.674 4.527 0.001 0.000 0.319 594 F C 0.789 176.610 175.800 0.035 0.000 1.230 594 F CA 0.238 58.291 58.000 0.088 0.000 1.285 594 F CB 0.543 39.599 39.000 0.094 0.000 1.208 594 F HN 0.223 nan 8.300 nan 0.000 0.579 595 Q N 1.501 121.465 119.800 0.274 0.000 2.327 595 Q HA 0.230 4.571 4.340 0.001 0.000 0.270 595 Q C -0.646 175.397 176.000 0.071 0.000 1.022 595 Q CA -0.685 55.185 55.803 0.111 0.000 0.773 595 Q CB 1.731 30.502 28.738 0.056 0.000 1.251 595 Q HN 0.499 nan 8.270 nan 0.000 0.457 596 E N 1.506 121.706 120.200 -0.001 0.000 2.383 596 E HA 0.067 4.417 4.350 0.001 0.000 0.264 596 E C -0.058 176.456 176.600 -0.143 0.000 1.050 596 E CA -0.379 55.959 56.400 -0.102 0.000 0.896 596 E CB 0.357 29.929 29.700 -0.213 0.000 0.982 596 E HN 0.536 nan 8.360 nan 0.000 0.424 597 H N -0.036 119.062 119.070 0.047 0.000 3.134 597 H HA 0.276 4.833 4.556 0.001 0.000 0.326 597 H C -0.106 175.237 175.328 0.025 0.000 1.017 597 H CA 0.371 56.446 56.048 0.044 0.000 1.359 597 H CB 0.254 30.053 29.762 0.062 0.000 1.300 597 H HN 0.629 nan 8.280 nan 0.000 0.596 598 A N 1.893 124.789 122.820 0.125 0.000 2.375 598 A HA 0.508 4.828 4.320 0.001 0.000 0.299 598 A C -0.128 177.484 177.584 0.047 0.000 1.044 598 A CA -0.634 51.441 52.037 0.064 0.000 0.585 598 A CB -0.177 18.822 19.000 -0.002 0.000 1.438 598 A HN 1.260 nan 8.150 nan 0.000 0.574 599 T N -1.268 113.301 114.554 0.025 0.000 2.874 599 T HA 0.607 4.958 4.350 0.001 0.000 0.281 599 T C 1.319 176.009 174.700 -0.017 0.000 0.994 599 T CA 0.400 62.512 62.100 0.020 0.000 1.015 599 T CB 1.361 70.246 68.868 0.029 0.000 1.028 599 T HN 2.066 nan 8.240 nan 0.000 0.523 600 A N 0.505 123.315 122.820 -0.015 0.000 2.019 600 A HA -0.031 4.289 4.320 0.001 0.000 0.219 600 A C 2.135 179.683 177.584 -0.059 0.000 1.164 600 A CA 1.416 53.399 52.037 -0.090 0.000 0.644 600 A CB -0.948 18.055 19.000 0.004 0.000 0.805 600 A HN 0.896 nan 8.150 nan 0.000 0.449 601 E N 0.524 120.755 120.200 0.052 0.000 2.051 601 E HA -0.137 4.214 4.350 0.001 0.000 0.192 601 E C 2.475 179.091 176.600 0.027 0.000 0.991 601 E CA 1.798 58.254 56.400 0.093 0.000 0.799 601 E CB -0.326 29.423 29.700 0.082 0.000 0.748 601 E HN 0.771 nan 8.360 nan 0.000 0.449 602 S N -0.274 115.422 115.700 -0.007 0.000 2.406 602 S HA -0.073 4.398 4.470 0.001 0.000 0.228 602 S C 2.159 176.733 174.600 -0.042 0.000 1.020 602 S CA 0.867 59.054 58.200 -0.020 0.000 0.965 602 S CB -0.468 62.723 63.200 -0.014 0.000 0.798 602 S HN 0.073 nan 8.310 nan 0.000 0.488 603 V N 2.239 122.101 119.914 -0.088 0.000 2.358 603 V HA -0.158 3.963 4.120 0.001 0.000 0.246 603 V C 2.648 178.697 176.094 -0.076 0.000 1.047 603 V CA 1.869 64.101 62.300 -0.113 0.000 1.035 603 V CB -1.074 30.637 31.823 -0.187 0.000 0.658 603 V HN 0.527 nan 8.190 nan 0.000 0.452 604 H N 0.442 119.488 119.070 -0.040 0.000 2.456 604 H HA 0.028 4.585 4.556 0.001 0.000 0.296 604 H C 2.334 177.570 175.328 -0.154 0.000 1.079 604 H CA 1.408 57.397 56.048 -0.097 0.000 1.322 604 H CB -0.436 29.251 29.762 -0.125 0.000 1.388 604 H HN 0.463 nan 8.280 nan 0.000 0.538 605 A N 0.849 123.661 122.820 -0.013 0.000 1.929 605 A HA -0.112 4.208 4.320 0.001 0.000 0.216 605 A C 2.377 179.937 177.584 -0.041 0.000 1.176 605 A CA 1.083 53.087 52.037 -0.055 0.000 0.628 605 A CB -0.156 18.818 19.000 -0.044 0.000 0.816 605 A HN 0.286 nan 8.150 nan 0.000 0.444 606 R N -0.915 119.569 120.500 -0.026 0.000 2.280 606 R HA 0.226 4.567 4.340 0.001 0.000 0.195 606 R C 1.818 178.108 176.300 -0.017 0.000 0.935 606 R CA 0.631 56.717 56.100 -0.023 0.000 1.033 606 R CB -0.058 30.230 30.300 -0.021 0.000 0.964 606 R HN 0.438 nan 8.270 nan 0.000 0.489 607 A N 0.499 123.315 122.820 -0.006 0.000 2.251 607 A HA 0.206 4.527 4.320 0.001 0.000 0.209 607 A C 1.332 178.907 177.584 -0.015 0.000 1.187 607 A CA 0.585 52.624 52.037 0.002 0.000 0.823 607 A CB -0.131 18.895 19.000 0.043 0.000 0.846 607 A HN 0.354 nan 8.150 nan 0.000 0.486 608 G N 0.247 109.025 108.800 -0.035 0.000 2.273 608 G HA2 -0.298 3.663 3.960 0.001 0.000 0.280 608 G HA3 -0.298 3.663 3.960 0.001 0.000 0.280 608 G C 0.625 175.481 174.900 -0.074 0.000 1.047 608 G CA 0.834 45.901 45.100 -0.055 0.000 0.869 608 G HN 1.438 nan 8.290 nan 0.000 0.502 609 I N -3.997 116.506 120.570 -0.111 0.000 4.288 609 I HA 0.367 4.538 4.170 0.001 0.000 0.331 609 I C 0.668 176.561 176.117 -0.374 0.000 1.322 609 I CA -0.377 60.831 61.300 -0.154 0.000 1.149 609 I CB 0.332 38.270 38.000 -0.103 0.000 1.112 609 I HN 0.063 nan 8.210 nan 0.000 0.403 610 D N 2.205 122.303 120.400 -0.504 0.000 2.563 610 D HA -0.090 4.551 4.640 0.001 0.000 0.229 610 D C 1.357 177.405 176.300 -0.422 0.000 1.159 610 D CA 1.009 54.584 54.000 -0.708 0.000 0.869 610 D CB 1.530 42.123 40.800 -0.344 0.000 1.203 610 D HN 0.397 nan 8.370 nan 0.000 0.478 611 A N 5.603 128.228 122.820 -0.325 0.000 1.834 611 A HA -0.118 4.203 4.320 0.001 0.000 0.216 611 A C -0.560 176.990 177.584 -0.056 0.000 1.203 611 A CA 1.345 53.349 52.037 -0.055 0.000 0.621 611 A CB -1.565 17.480 19.000 0.075 0.000 0.841 611 A HN 0.535 nan 8.150 nan 0.000 0.446 612 P HA -0.276 nan 4.420 nan 0.000 0.219 612 P C 1.593 178.859 177.300 -0.055 0.000 1.158 612 P CA 2.566 65.638 63.100 -0.046 0.000 0.895 612 P CB -0.230 31.443 31.700 -0.046 0.000 0.792 613 A N -1.840 120.930 122.820 -0.085 0.000 2.119 613 A HA -0.102 4.219 4.320 0.001 0.000 0.217 613 A C 2.179 179.725 177.584 -0.063 0.000 1.153 613 A CA 0.993 52.984 52.037 -0.075 0.000 0.692 613 A CB -1.375 17.569 19.000 -0.095 0.000 0.799 613 A HN 0.163 nan 8.150 nan 0.000 0.458 614 I N -1.204 119.329 120.570 -0.063 0.000 2.333 614 I HA -0.163 4.007 4.170 0.001 0.000 0.246 614 I C 2.544 178.645 176.117 -0.026 0.000 1.106 614 I CA 0.858 62.134 61.300 -0.039 0.000 1.411 614 I CB -0.263 37.721 38.000 -0.028 0.000 1.082 614 I HN 0.218 nan 8.210 nan 0.000 0.420 615 R N 0.185 120.671 120.500 -0.024 0.000 2.241 615 R HA -0.114 4.226 4.340 0.001 0.000 0.224 615 R C 2.136 178.425 176.300 -0.018 0.000 1.101 615 R CA 1.471 57.561 56.100 -0.017 0.000 0.995 615 R CB -0.376 29.916 30.300 -0.014 0.000 0.870 615 R HN 0.386 nan 8.270 nan 0.000 0.463 616 T N 0.146 114.686 114.554 -0.023 0.000 2.737 616 T HA -0.077 4.273 4.350 0.001 0.000 0.265 616 T C 1.931 176.620 174.700 -0.018 0.000 1.038 616 T CA 1.366 63.453 62.100 -0.021 0.000 1.144 616 T CB -0.035 68.817 68.868 -0.025 0.000 0.866 616 T HN 0.031 nan 8.240 nan 0.000 0.434 617 V N 1.601 121.503 119.914 -0.020 0.000 2.379 617 V HA -0.048 4.073 4.120 0.001 0.000 0.245 617 V C 2.463 178.549 176.094 -0.012 0.000 1.044 617 V CA 1.217 63.507 62.300 -0.016 0.000 1.036 617 V CB -0.964 30.848 31.823 -0.018 0.000 0.664 617 V HN 0.387 nan 8.190 nan 0.000 0.453 618 L N 0.742 121.957 121.223 -0.012 0.000 2.127 618 L HA -0.156 4.185 4.340 0.001 0.000 0.211 618 L C 2.762 179.627 176.870 -0.008 0.000 1.089 618 L CA 1.495 56.330 54.840 -0.009 0.000 0.757 618 L CB -0.819 41.236 42.059 -0.008 0.000 0.899 618 L HN 0.356 nan 8.230 nan 0.000 0.434 619 A N -0.073 122.741 122.820 -0.009 0.000 1.933 619 A HA -0.212 4.109 4.320 0.001 0.000 0.218 619 A C 2.102 179.681 177.584 -0.008 0.000 1.175 619 A CA 1.569 53.601 52.037 -0.008 0.000 0.628 619 A CB -0.387 18.607 19.000 -0.009 0.000 0.814 619 A HN 0.469 nan 8.150 nan 0.000 0.444 620 E N -0.948 119.247 120.200 -0.008 0.000 2.511 620 E HA 0.082 4.433 4.350 0.001 0.000 0.196 620 E C 0.219 176.814 176.600 -0.007 0.000 1.066 620 E CA 0.226 56.622 56.400 -0.008 0.000 0.871 620 E CB -0.024 29.671 29.700 -0.009 0.000 0.863 620 E HN 0.586 nan 8.360 nan 0.000 0.520 621 L N -0.858 120.361 121.223 -0.006 0.000 3.202 621 L HA 0.348 4.689 4.340 0.001 0.000 0.278 621 L C 1.057 177.924 176.870 -0.005 0.000 1.268 621 L CA -0.095 54.741 54.840 -0.006 0.000 1.034 621 L CB 0.924 42.980 42.059 -0.005 0.000 1.407 621 L HN 0.181 nan 8.230 nan 0.000 0.581 622 G N -0.307 108.490 108.800 -0.005 0.000 2.225 622 G HA2 -0.262 3.698 3.960 0.001 0.000 0.254 622 G HA3 -0.262 3.698 3.960 0.001 0.000 0.254 622 G C 0.308 175.206 174.900 -0.004 0.000 0.988 622 G CA 0.090 45.188 45.100 -0.004 0.000 0.625 622 G HN 0.108 nan 8.290 nan 0.000 0.527 623 V N 2.302 122.214 119.914 -0.004 0.000 2.488 623 V HA 0.347 4.468 4.120 0.001 0.000 0.277 623 V C 0.072 176.163 176.094 -0.004 0.000 1.046 623 V CA -0.856 61.442 62.300 -0.003 0.000 0.986 623 V CB 1.411 33.232 31.823 -0.003 0.000 0.989 623 V HN 0.261 nan 8.190 nan 0.000 0.475 624 D N 4.116 124.514 120.400 -0.003 0.000 2.346 624 D HA 0.146 4.787 4.640 0.001 0.000 0.267 624 D C -0.195 176.103 176.300 -0.004 0.000 1.320 624 D CA 0.250 54.248 54.000 -0.003 0.000 0.951 624 D CB 1.218 42.016 40.800 -0.003 0.000 1.079 624 D HN 0.278 nan 8.370 nan 0.000 0.509 625 V N 5.113 125.024 119.914 -0.005 0.000 2.350 625 V HA 0.189 4.310 4.120 0.001 0.000 0.276 625 V C -1.755 174.336 176.094 -0.005 0.000 1.028 625 V CA -1.572 60.725 62.300 -0.005 0.000 0.860 625 V CB 1.125 32.944 31.823 -0.006 0.000 0.990 625 V HN 0.358 nan 8.190 nan 0.000 0.453 626 P HA 0.073 nan 4.420 nan 0.000 0.264 626 P C 0.142 177.439 177.300 -0.004 0.000 1.179 626 P CA 0.156 63.254 63.100 -0.004 0.000 0.763 626 P CB 0.317 32.015 31.700 -0.003 0.000 0.806 627 I N 2.279 122.846 120.570 -0.004 0.000 2.330 627 I HA 0.016 4.187 4.170 0.001 0.000 0.280 627 I C 1.005 177.119 176.117 -0.004 0.000 1.069 627 I CA -0.318 60.980 61.300 -0.005 0.000 1.873 627 I CB -1.656 36.341 38.000 -0.004 0.000 1.476 627 I HN 0.597 nan 8.210 nan 0.000 0.813 628 E N 1.402 121.600 120.200 -0.004 0.000 9.134 628 E HA -0.244 4.107 4.350 0.001 0.000 0.331 628 E C 0.155 176.753 176.600 -0.003 0.000 1.429 628 E CA 0.011 56.409 56.400 -0.003 0.000 2.486 628 E CB -0.368 29.329 29.700 -0.004 0.000 1.103 628 E HN 0.061 nan 8.360 nan 0.000 0.403 629 V N 0.000 119.913 119.914 -0.002 0.000 2.409 629 V HA 0.000 4.121 4.120 0.001 0.000 0.244 629 V CA 0.000 62.299 62.300 -0.002 0.000 1.235 629 V CB 0.000 31.822 31.823 -0.002 0.000 1.184 629 V HN 0.000 nan 8.190 nan 0.000 0.556