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 1gpj_1_A DATA FIRST_RESID 1 DATA SEQUENCE MEDLVSVGIT HKEAEVEELE KARFESDEAV RDIVESFGLS GSVLLQTSNR DATA SEQUENCE VEVYASGARD RAEELGDLIH DDAWVKRGSE AVRHLFRVAS GLESMMVGEQ DATA SEQUENCE EILRQVKKAY DRAARLGTLD EALKIVFRRA INLGKRAREE TRISEGAVSI DATA SEQUENCE GSAAVELAER ELGSLHDKTV LVVGAGEMGK TVAKSLVDRG VRAVLVANRT DATA SEQUENCE YERAVELARD LGGEAVRFDE LVDHLARSDV VVSATAAPHP VIHVDDVREA DATA SEQUENCE LRKRDRRSPI LIIDIANPRD VEEGVENIED VEVRTIDDLR VIARENLERR DATA SEQUENCE RKEIPKVEKL IEEELSTVEE ELEKLKERRL VADVAKSLHE IKDRELERAL DATA SEQUENCE RRLKTXXXXX VLQDFAEAYT KRLINVLTSA IMELPDEYRR AASRALRRAS DATA SEQUENCE ELNG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.300 176.300 -0.000 0.000 1.140 1 M CA 0.000 55.296 55.300 -0.007 0.000 0.988 1 M CB 0.000 32.586 32.600 -0.023 0.000 1.302 2 E N 1.380 121.576 120.200 -0.007 0.000 2.432 2 E HA -0.275 4.075 4.350 -0.000 0.000 0.215 2 E C 0.770 177.378 176.600 0.012 0.000 1.082 2 E CA 1.819 58.218 56.400 -0.003 0.000 0.861 2 E CB -0.698 28.993 29.700 -0.015 0.000 0.755 2 E HN 0.657 nan 8.360 nan 0.000 0.499 3 D N -0.446 119.967 120.400 0.022 0.000 2.328 3 D HA 0.032 4.672 4.640 -0.000 0.000 0.221 3 D C -0.164 176.163 176.300 0.046 0.000 1.072 3 D CA -0.013 54.008 54.000 0.034 0.000 0.850 3 D CB 0.264 41.086 40.800 0.037 0.000 0.922 3 D HN 0.099 nan 8.370 nan 0.000 0.516 4 L N 1.234 122.485 121.223 0.047 0.000 2.329 4 L HA 0.422 4.762 4.340 -0.000 0.000 0.279 4 L C -0.073 176.835 176.870 0.064 0.000 1.014 4 L CA -0.993 53.890 54.840 0.072 0.000 0.814 4 L CB 2.068 44.179 42.059 0.087 0.000 1.257 4 L HN -0.227 nan 8.230 nan 0.000 0.424 5 V N -0.575 119.382 119.914 0.071 0.000 2.914 5 V HA 0.757 4.877 4.120 -0.000 0.000 0.314 5 V C -0.528 175.590 176.094 0.040 0.000 1.084 5 V CA -0.486 61.843 62.300 0.048 0.000 0.963 5 V CB 1.970 33.804 31.823 0.019 0.000 1.025 5 V HN 0.715 nan 8.190 nan 0.000 0.432 6 S N 1.849 117.562 115.700 0.021 0.000 2.502 6 S HA 0.840 5.310 4.470 -0.000 0.000 0.304 6 S C -0.711 173.902 174.600 0.022 0.000 1.097 6 S CA -0.204 57.941 58.200 -0.092 0.000 1.045 6 S CB 1.273 64.455 63.200 -0.031 0.000 1.019 6 S HN 1.999 nan 8.310 nan 0.000 0.481 7 V N 1.846 121.639 119.914 -0.201 0.000 2.735 7 V HA 1.099 5.219 4.120 -0.000 0.000 0.310 7 V C 0.252 175.857 176.094 -0.815 0.000 1.061 7 V CA -0.122 61.967 62.300 -0.352 0.000 0.913 7 V CB 1.012 32.690 31.823 -0.242 0.000 1.005 7 V HN 1.157 nan 8.190 nan 0.000 0.428 8 G N 1.980 109.873 108.800 -1.512 0.000 2.342 8 G HA2 0.619 4.579 3.960 -0.000 0.000 0.297 8 G HA3 0.619 4.579 3.960 -0.000 0.000 0.297 8 G C -2.260 171.707 174.900 -1.554 0.000 1.313 8 G CA -0.280 43.952 45.100 -1.447 0.000 0.830 8 G HN 1.214 nan 8.290 nan 0.000 0.506 9 I N 0.455 120.572 120.570 -0.756 0.000 2.656 9 I HA 0.784 4.954 4.170 -0.000 0.000 0.292 9 I C 0.080 176.140 176.117 -0.094 0.000 1.144 9 I CA 0.055 61.100 61.300 -0.425 0.000 1.038 9 I CB 2.485 40.245 38.000 -0.399 0.000 1.244 9 I HN 1.098 nan 8.210 nan 0.000 0.420 10 T N 1.203 115.802 114.554 0.074 0.000 2.838 10 T HA 0.357 4.707 4.350 -0.000 0.000 0.292 10 T C 0.815 175.563 174.700 0.080 0.000 1.113 10 T CA 0.155 62.344 62.100 0.149 0.000 1.008 10 T CB 1.002 70.032 68.868 0.269 0.000 1.259 10 T HN 0.783 nan 8.240 nan 0.000 0.520 11 H N 0.138 119.256 119.070 0.079 0.000 2.518 11 H HA 0.210 4.766 4.556 -0.000 0.000 0.289 11 H C 1.498 176.860 175.328 0.057 0.000 1.051 11 H CA 0.929 57.007 56.048 0.051 0.000 1.280 11 H CB 0.011 29.802 29.762 0.048 0.000 1.380 11 H HN 0.301 nan 8.280 nan 0.000 0.566 12 K N 0.543 120.588 120.400 -0.591 0.000 2.211 12 K HA -0.094 4.226 4.320 -0.000 0.000 0.203 12 K C 1.429 177.957 176.600 -0.119 0.000 1.050 12 K CA 1.463 57.519 56.287 -0.385 0.000 0.945 12 K CB 0.159 32.490 32.500 -0.281 0.000 0.732 12 K HN 0.802 nan 8.250 nan 0.000 0.451 13 E N -1.105 119.064 120.200 -0.052 0.000 2.541 13 E HA 0.220 4.570 4.350 -0.000 0.000 0.219 13 E C 0.095 176.683 176.600 -0.020 0.000 0.922 13 E CA -0.126 56.267 56.400 -0.010 0.000 1.095 13 E CB 0.588 30.310 29.700 0.037 0.000 1.112 13 E HN 0.002 nan 8.360 nan 0.000 0.516 14 A N 1.026 123.830 122.820 -0.027 0.000 2.469 14 A HA 0.569 4.889 4.320 -0.000 0.000 0.299 14 A C -0.468 177.118 177.584 0.003 0.000 1.098 14 A CA -0.688 51.322 52.037 -0.044 0.000 0.737 14 A CB 1.689 20.607 19.000 -0.137 0.000 1.312 14 A HN -0.032 nan 8.150 nan 0.000 0.414 15 E N 0.175 120.377 120.200 0.003 0.000 2.314 15 E HA 0.252 4.601 4.350 -0.000 0.000 0.262 15 E C 1.239 177.852 176.600 0.021 0.000 1.093 15 E CA -0.528 55.886 56.400 0.023 0.000 0.908 15 E CB 1.282 30.994 29.700 0.021 0.000 1.091 15 E HN 0.326 nan 8.360 nan 0.000 0.425 16 V N 1.597 121.527 119.914 0.028 0.000 2.736 16 V HA -0.276 3.844 4.120 -0.000 0.000 0.262 16 V C 1.950 178.053 176.094 0.015 0.000 1.114 16 V CA 2.278 64.592 62.300 0.023 0.000 1.133 16 V CB -0.737 31.098 31.823 0.019 0.000 0.703 16 V HN 0.582 nan 8.190 nan 0.000 0.495 17 E N -1.163 119.045 120.200 0.015 0.000 2.290 17 E HA -0.042 4.308 4.350 -0.000 0.000 0.197 17 E C 1.711 178.325 176.600 0.024 0.000 0.948 17 E CA 0.166 56.575 56.400 0.016 0.000 0.895 17 E CB -0.253 29.457 29.700 0.017 0.000 0.865 17 E HN 0.501 nan 8.360 nan 0.000 0.486 18 E N 1.309 121.524 120.200 0.026 0.000 2.268 18 E HA -0.011 4.339 4.350 -0.000 0.000 0.195 18 E C 2.272 178.860 176.600 -0.019 0.000 0.995 18 E CA 0.466 56.889 56.400 0.039 0.000 0.836 18 E CB 0.017 29.712 29.700 -0.009 0.000 0.763 18 E HN 0.351 nan 8.360 nan 0.000 0.491 19 L N 0.105 121.312 121.223 -0.027 0.000 2.095 19 L HA -0.079 4.261 4.340 -0.000 0.000 0.204 19 L C 2.386 179.243 176.870 -0.021 0.000 1.080 19 L CA 0.815 55.636 54.840 -0.031 0.000 0.759 19 L CB -0.364 41.695 42.059 0.000 0.000 0.914 19 L HN 0.060 nan 8.230 nan 0.000 0.439 20 E N 0.587 120.782 120.200 -0.008 0.000 2.049 20 E HA -0.268 4.082 4.350 -0.000 0.000 0.198 20 E C 2.203 178.785 176.600 -0.029 0.000 1.007 20 E CA 1.561 57.955 56.400 -0.011 0.000 0.809 20 E CB 0.069 29.768 29.700 -0.002 0.000 0.749 20 E HN 0.278 nan 8.360 nan 0.000 0.450 21 K N -0.123 120.266 120.400 -0.017 0.000 2.020 21 K HA -0.213 4.107 4.320 -0.000 0.000 0.212 21 K C 2.127 178.672 176.600 -0.092 0.000 1.050 21 K CA 1.360 57.627 56.287 -0.034 0.000 0.929 21 K CB -0.236 32.267 32.500 0.005 0.000 0.714 21 K HN 0.105 nan 8.250 nan 0.000 0.443 22 A N 1.476 124.250 122.820 -0.077 0.000 2.070 22 A HA -0.141 4.179 4.320 -0.000 0.000 0.220 22 A C 1.153 178.536 177.584 -0.335 0.000 1.159 22 A CA 0.464 52.390 52.037 -0.184 0.000 0.656 22 A CB -0.402 18.533 19.000 -0.109 0.000 0.800 22 A HN 0.272 nan 8.150 nan 0.000 0.453 23 R N -0.883 119.505 120.500 -0.188 0.000 2.638 23 R HA 0.155 4.495 4.340 -0.000 0.000 0.268 23 R C -1.341 174.825 176.300 -0.222 0.000 1.006 23 R CA 0.143 56.168 56.100 -0.126 0.000 1.088 23 R CB -0.029 30.253 30.300 -0.031 0.000 0.950 23 R HN 0.226 nan 8.270 nan 0.000 0.419 24 F N 2.834 122.787 119.950 0.005 0.000 2.410 24 F HA 0.116 4.643 4.527 -0.000 0.000 0.349 24 F C 1.460 177.265 175.800 0.008 0.000 1.117 24 F CA -0.264 57.739 58.000 0.005 0.000 1.104 24 F CB 1.548 40.550 39.000 0.003 0.000 1.122 24 F HN 0.629 nan 8.300 nan 0.000 0.483 25 E N 1.511 121.809 120.200 0.163 0.000 2.112 25 E HA -0.116 4.234 4.350 -0.000 0.000 0.190 25 E C 0.640 177.297 176.600 0.096 0.000 0.979 25 E CA 0.463 56.921 56.400 0.097 0.000 0.814 25 E CB 0.164 29.900 29.700 0.061 0.000 0.762 25 E HN 0.437 nan 8.360 nan 0.000 0.460 26 S N 1.056 116.823 115.700 0.113 0.000 2.523 26 S HA 0.052 4.522 4.470 -0.000 0.000 0.275 26 S C 0.331 174.960 174.600 0.048 0.000 1.281 26 S CA -0.600 57.641 58.200 0.068 0.000 1.050 26 S CB 0.737 63.973 63.200 0.060 0.000 0.937 26 S HN -0.005 nan 8.310 nan 0.000 0.492 27 D N 3.786 124.203 120.400 0.027 0.000 2.311 27 D HA -0.069 4.571 4.640 -0.000 0.000 0.212 27 D C 0.947 177.239 176.300 -0.013 0.000 0.972 27 D CA 1.171 55.177 54.000 0.010 0.000 0.887 27 D CB 0.070 40.873 40.800 0.005 0.000 0.915 27 D HN 0.666 nan 8.370 nan 0.000 0.497 28 E N -0.406 119.786 120.200 -0.014 0.000 2.476 28 E HA 0.290 4.640 4.350 -0.000 0.000 0.196 28 E C 1.700 178.264 176.600 -0.059 0.000 1.029 28 E CA 0.028 56.408 56.400 -0.033 0.000 0.896 28 E CB 0.287 29.976 29.700 -0.019 0.000 1.012 28 E HN 0.140 nan 8.360 nan 0.000 0.475 29 A N 0.552 123.325 122.820 -0.079 0.000 1.917 29 A HA -0.221 4.099 4.320 -0.000 0.000 0.219 29 A C 2.305 179.734 177.584 -0.258 0.000 1.182 29 A CA 1.716 53.646 52.037 -0.179 0.000 0.633 29 A CB -0.840 17.983 19.000 -0.294 0.000 0.819 29 A HN 0.284 nan 8.150 nan 0.000 0.448 30 V N -0.157 119.621 119.914 -0.228 0.000 2.332 30 V HA -0.270 3.850 4.120 -0.000 0.000 0.248 30 V C 2.550 178.566 176.094 -0.130 0.000 1.055 30 V CA 2.737 64.917 62.300 -0.201 0.000 1.038 30 V CB -0.626 31.104 31.823 -0.155 0.000 0.651 30 V HN 0.689 nan 8.190 nan 0.000 0.450 31 R N -0.419 120.024 120.500 -0.095 0.000 2.066 31 R HA -0.147 4.193 4.340 -0.000 0.000 0.232 31 R C 2.092 178.371 176.300 -0.036 0.000 1.131 31 R CA 2.074 58.140 56.100 -0.058 0.000 0.955 31 R CB -0.434 29.838 30.300 -0.046 0.000 0.851 31 R HN 0.616 nan 8.270 nan 0.000 0.432 32 D N 0.633 121.012 120.400 -0.036 0.000 2.133 32 D HA -0.209 4.431 4.640 -0.000 0.000 0.195 32 D C 1.956 178.276 176.300 0.033 0.000 0.997 32 D CA 1.399 55.398 54.000 -0.000 0.000 0.840 32 D CB -0.287 40.518 40.800 0.008 0.000 0.947 32 D HN 0.352 nan 8.370 nan 0.000 0.452 33 I N 0.672 121.236 120.570 -0.010 0.000 2.163 33 I HA -0.250 3.920 4.170 -0.000 0.000 0.243 33 I C 2.538 178.722 176.117 0.112 0.000 1.085 33 I CA 0.646 61.973 61.300 0.044 0.000 1.347 33 I CB -0.250 37.664 38.000 -0.143 0.000 1.044 33 I HN -0.110 nan 8.210 nan 0.000 0.408 34 V N 0.965 120.897 119.914 0.031 0.000 2.252 34 V HA -0.316 3.804 4.120 -0.000 0.000 0.249 34 V C 2.416 178.560 176.094 0.085 0.000 1.056 34 V CA 2.151 64.479 62.300 0.046 0.000 1.022 34 V CB -0.673 31.152 31.823 0.004 0.000 0.641 34 V HN 0.474 nan 8.190 nan 0.000 0.445 35 E N 0.126 120.363 120.200 0.061 0.000 2.031 35 E HA -0.208 4.142 4.350 -0.000 0.000 0.193 35 E C 2.283 178.915 176.600 0.053 0.000 0.994 35 E CA 1.573 58.000 56.400 0.046 0.000 0.800 35 E CB -0.415 29.299 29.700 0.022 0.000 0.752 35 E HN 0.579 nan 8.360 nan 0.000 0.447 36 S N -0.394 115.353 115.700 0.077 0.000 2.528 36 S HA -0.111 4.359 4.470 -0.000 0.000 0.244 36 S C 0.971 175.468 174.600 -0.171 0.000 0.982 36 S CA 0.825 59.019 58.200 -0.011 0.000 0.953 36 S CB -0.102 63.128 63.200 0.050 0.000 0.754 36 S HN 0.215 nan 8.310 nan 0.000 0.529 37 F N 0.096 120.043 119.950 -0.004 0.000 2.856 37 F HA 0.396 4.923 4.527 -0.000 0.000 0.338 37 F C 1.391 177.192 175.800 0.001 0.000 1.100 37 F CA -0.152 57.848 58.000 0.000 0.000 1.150 37 F CB 0.492 39.493 39.000 0.001 0.000 1.101 37 F HN 0.186 nan 8.300 nan 0.000 0.548 38 G N 2.423 111.301 108.800 0.129 0.000 2.366 38 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.299 38 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.299 38 G C 0.076 175.030 174.900 0.089 0.000 1.020 38 G CA 0.045 45.193 45.100 0.080 0.000 1.026 38 G HN 0.301 nan 8.290 nan 0.000 0.512 39 L N -0.247 121.035 121.223 0.098 0.000 2.418 39 L HA 0.406 4.746 4.340 -0.000 0.000 0.265 39 L C 1.845 178.742 176.870 0.046 0.000 1.143 39 L CA 0.188 55.071 54.840 0.071 0.000 0.809 39 L CB 1.365 43.456 42.059 0.054 0.000 1.124 39 L HN 0.278 nan 8.230 nan 0.000 0.456 40 S N 0.334 116.059 115.700 0.041 0.000 2.414 40 S HA 0.118 4.588 4.470 -0.000 0.000 0.227 40 S C 0.467 175.081 174.600 0.025 0.000 1.022 40 S CA 0.783 59.002 58.200 0.033 0.000 0.958 40 S CB 0.062 63.285 63.200 0.037 0.000 0.797 40 S HN 0.890 nan 8.310 nan 0.000 0.493 41 G N -0.962 107.854 108.800 0.027 0.000 2.576 41 G HA2 0.513 4.473 3.960 -0.000 0.000 0.290 41 G HA3 0.513 4.473 3.960 -0.000 0.000 0.290 41 G C -1.562 173.347 174.900 0.016 0.000 1.442 41 G CA -0.046 45.062 45.100 0.014 0.000 0.792 41 G HN 0.354 nan 8.290 nan 0.000 0.491 42 S N -1.487 114.207 115.700 -0.010 0.000 2.558 42 S HA 0.655 5.125 4.470 -0.000 0.000 0.277 42 S C -1.594 172.974 174.600 -0.054 0.000 1.143 42 S CA -0.437 57.760 58.200 -0.005 0.000 0.865 42 S CB 1.775 64.950 63.200 -0.042 0.000 1.102 42 S HN 1.216 nan 8.310 nan 0.000 0.454 43 V N 4.640 124.550 119.914 -0.007 0.000 2.588 43 V HA 0.603 4.723 4.120 -0.000 0.000 0.304 43 V C -0.741 175.386 176.094 0.056 0.000 1.042 43 V CA -0.818 61.414 62.300 -0.113 0.000 0.877 43 V CB 1.815 33.359 31.823 -0.465 0.000 0.996 43 V HN 0.821 nan 8.190 nan 0.000 0.425 44 L N 6.203 127.423 121.223 -0.004 0.000 2.287 44 L HA 0.641 4.981 4.340 -0.000 0.000 0.287 44 L C -1.349 175.592 176.870 0.119 0.000 1.022 44 L CA -0.543 54.324 54.840 0.044 0.000 0.814 44 L CB 1.391 43.399 42.059 -0.085 0.000 1.217 44 L HN 0.681 nan 8.230 nan 0.000 0.420 45 L N 6.347 127.712 121.223 0.237 0.000 2.295 45 L HA 0.470 4.810 4.340 -0.000 0.000 0.281 45 L C -0.531 176.467 176.870 0.213 0.000 1.018 45 L CA 0.073 55.063 54.840 0.250 0.000 0.841 45 L CB 1.387 43.678 42.059 0.387 0.000 1.218 45 L HN 0.805 nan 8.230 nan 0.000 0.424 46 Q N 3.948 123.846 119.800 0.162 0.000 2.323 46 Q HA 0.755 5.095 4.340 -0.000 0.000 0.271 46 Q C -1.390 174.679 176.000 0.115 0.000 1.048 46 Q CA -0.501 55.390 55.803 0.146 0.000 0.792 46 Q CB 2.154 30.987 28.738 0.158 0.000 1.280 46 Q HN 0.715 nan 8.270 nan 0.000 0.441 47 T N -1.031 113.587 114.554 0.107 0.000 2.804 47 T HA 0.344 4.694 4.350 -0.000 0.000 0.290 47 T C 0.993 175.733 174.700 0.066 0.000 1.099 47 T CA -0.039 62.109 62.100 0.081 0.000 1.011 47 T CB 0.955 69.873 68.868 0.082 0.000 1.291 47 T HN 0.680 nan 8.240 nan 0.000 0.523 48 S N 0.218 115.944 115.700 0.045 0.000 2.440 48 S HA -0.135 4.335 4.470 -0.000 0.000 0.238 48 S C 1.015 175.639 174.600 0.041 0.000 1.010 48 S CA 1.457 59.677 58.200 0.032 0.000 0.972 48 S CB -0.967 62.242 63.200 0.015 0.000 0.774 48 S HN 0.786 nan 8.310 nan 0.000 0.501 49 N N 0.924 119.659 118.700 0.058 0.000 2.184 49 N HA 0.230 4.970 4.740 -0.000 0.000 0.206 49 N C -0.103 175.526 175.510 0.199 0.000 1.151 49 N CA -0.358 52.751 53.050 0.098 0.000 0.878 49 N CB 0.572 39.049 38.487 -0.016 0.000 1.014 49 N HN 0.538 nan 8.380 nan 0.000 0.512 50 R N -0.961 119.632 120.500 0.155 0.000 2.664 50 R HA 0.465 4.805 4.340 -0.000 0.000 0.266 50 R C -2.185 174.186 176.300 0.119 0.000 1.046 50 R CA -0.709 55.491 56.100 0.168 0.000 0.885 50 R CB 1.073 31.526 30.300 0.255 0.000 1.254 50 R HN -0.246 nan 8.270 nan 0.000 0.465 51 V N 1.856 121.810 119.914 0.067 0.000 2.447 51 V HA 0.421 4.541 4.120 -0.000 0.000 0.292 51 V C -0.726 175.366 176.094 -0.003 0.000 1.021 51 V CA -0.537 61.799 62.300 0.061 0.000 0.850 51 V CB 1.516 33.344 31.823 0.009 0.000 1.005 51 V HN 0.769 nan 8.190 nan 0.000 0.426 52 E N 3.398 123.644 120.200 0.077 0.000 2.256 52 E HA 0.668 5.018 4.350 -0.000 0.000 0.268 52 E C -1.551 175.058 176.600 0.015 0.000 0.877 52 E CA -0.730 55.663 56.400 -0.012 0.000 0.757 52 E CB 3.205 33.032 29.700 0.211 0.000 1.183 52 E HN 0.383 nan 8.360 nan 0.000 0.418 53 V N 3.398 123.217 119.914 -0.158 0.000 2.409 53 V HA 0.307 4.427 4.120 -0.000 0.000 0.291 53 V C -1.233 174.733 176.094 -0.214 0.000 1.020 53 V CA -0.755 61.488 62.300 -0.095 0.000 0.848 53 V CB 0.617 32.369 31.823 -0.119 0.000 0.990 53 V HN 0.581 nan 8.190 nan 0.000 0.430 54 Y N 2.943 123.306 120.300 0.105 0.000 2.328 54 Y HA 0.737 5.287 4.550 -0.000 0.000 0.337 54 Y C 0.465 176.408 175.900 0.071 0.000 1.008 54 Y CA -0.396 57.796 58.100 0.152 0.000 1.129 54 Y CB 1.829 40.486 38.460 0.329 0.000 1.185 54 Y HN 0.711 nan 8.280 nan 0.000 0.476 55 A N 2.048 124.955 122.820 0.146 0.000 2.393 55 A HA 0.668 4.988 4.320 -0.000 0.000 0.306 55 A C -0.780 176.858 177.584 0.089 0.000 1.050 55 A CA -0.768 51.310 52.037 0.070 0.000 0.724 55 A CB 1.439 20.423 19.000 -0.026 0.000 1.248 55 A HN 0.565 nan 8.150 nan 0.000 0.424 56 S N 1.333 117.079 115.700 0.077 0.000 2.451 56 S HA 0.553 5.023 4.470 -0.000 0.000 0.301 56 S C 0.900 175.533 174.600 0.055 0.000 1.116 56 S CA 0.683 58.928 58.200 0.074 0.000 1.093 56 S CB 0.648 63.895 63.200 0.078 0.000 1.017 56 S HN 2.639 nan 8.310 nan 0.000 0.482 57 G N 2.972 111.804 108.800 0.053 0.000 2.147 57 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.244 57 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.244 57 G C 0.780 175.714 174.900 0.057 0.000 1.005 57 G CA 0.153 45.284 45.100 0.052 0.000 0.713 57 G HN 1.492 nan 8.290 nan 0.000 0.515 58 A N 0.052 122.902 122.820 0.051 0.000 2.206 58 A HA 0.228 4.548 4.320 -0.000 0.000 0.211 58 A C 2.160 179.788 177.584 0.074 0.000 1.158 58 A CA 1.712 53.784 52.037 0.059 0.000 0.761 58 A CB -0.240 18.766 19.000 0.009 0.000 0.801 58 A HN 0.657 nan 8.150 nan 0.000 0.473 59 R N 1.004 121.540 120.500 0.060 0.000 2.316 59 R HA -0.119 4.221 4.340 -0.000 0.000 0.202 59 R C 0.209 176.541 176.300 0.054 0.000 1.029 59 R CA 1.586 57.717 56.100 0.051 0.000 1.018 59 R CB -0.360 29.965 30.300 0.042 0.000 0.888 59 R HN 0.560 nan 8.270 nan 0.000 0.471 60 D N -0.314 120.124 120.400 0.063 0.000 2.339 60 D HA -0.052 4.588 4.640 -0.000 0.000 0.217 60 D C 0.565 176.910 176.300 0.075 0.000 1.050 60 D CA 0.026 54.062 54.000 0.060 0.000 0.856 60 D CB -0.100 40.731 40.800 0.053 0.000 0.922 60 D HN 0.235 nan 8.370 nan 0.000 0.518 61 R N 0.159 120.721 120.500 0.102 0.000 2.652 61 R HA 0.494 4.834 4.340 -0.000 0.000 0.372 61 R C 1.326 177.691 176.300 0.108 0.000 1.104 61 R CA 0.120 56.313 56.100 0.154 0.000 1.072 61 R CB 0.815 31.289 30.300 0.291 0.000 1.367 61 R HN 0.083 nan 8.270 nan 0.000 0.577 62 A N 1.571 124.423 122.820 0.053 0.000 1.858 62 A HA -0.172 4.148 4.320 -0.000 0.000 0.216 62 A C 1.750 179.340 177.584 0.010 0.000 1.190 62 A CA 1.178 53.221 52.037 0.011 0.000 0.617 62 A CB -0.041 18.969 19.000 0.018 0.000 0.827 62 A HN 0.165 nan 8.150 nan 0.000 0.443 63 E N 0.093 120.314 120.200 0.034 0.000 2.160 63 E HA -0.213 4.137 4.350 -0.000 0.000 0.195 63 E C 1.833 178.461 176.600 0.046 0.000 0.991 63 E CA 1.341 57.761 56.400 0.034 0.000 0.810 63 E CB -0.423 29.299 29.700 0.038 0.000 0.742 63 E HN 0.781 nan 8.360 nan 0.000 0.466 64 E N 0.196 120.453 120.200 0.095 0.000 2.077 64 E HA -0.133 4.217 4.350 -0.000 0.000 0.193 64 E C 2.049 178.735 176.600 0.143 0.000 0.989 64 E CA 0.269 56.775 56.400 0.177 0.000 0.800 64 E CB 0.021 29.934 29.700 0.355 0.000 0.746 64 E HN 0.076 nan 8.360 nan 0.000 0.452 65 L N 0.467 121.671 121.223 -0.030 0.000 2.042 65 L HA -0.123 4.217 4.340 -0.000 0.000 0.210 65 L C 2.372 179.169 176.870 -0.121 0.000 1.076 65 L CA 1.993 56.666 54.840 -0.279 0.000 0.749 65 L CB -1.524 40.328 42.059 -0.345 0.000 0.893 65 L HN 0.199 nan 8.230 nan 0.000 0.432 66 G N -0.669 108.086 108.800 -0.076 0.000 2.469 66 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.220 66 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.220 66 G C 1.227 176.103 174.900 -0.040 0.000 1.136 66 G CA 0.840 45.894 45.100 -0.077 0.000 0.759 66 G HN 0.363 nan 8.290 nan 0.000 0.562 67 D N 0.624 121.026 120.400 0.005 0.000 2.178 67 D HA -0.092 4.548 4.640 -0.000 0.000 0.201 67 D C 2.436 178.746 176.300 0.016 0.000 0.980 67 D CA 0.852 54.862 54.000 0.016 0.000 0.842 67 D CB -0.237 40.591 40.800 0.047 0.000 0.948 67 D HN 0.524 nan 8.370 nan 0.000 0.472 68 L N -2.007 119.251 121.223 0.058 0.000 2.611 68 L HA 0.308 4.648 4.340 -0.000 0.000 0.229 68 L C 1.714 178.563 176.870 -0.035 0.000 1.137 68 L CA 0.206 55.084 54.840 0.063 0.000 0.901 68 L CB -0.078 42.101 42.059 0.200 0.000 1.098 68 L HN -0.118 nan 8.230 nan 0.000 0.456 69 I N -1.212 119.330 120.570 -0.046 0.000 2.681 69 I HA 0.183 4.353 4.170 -0.000 0.000 0.247 69 I C 0.654 176.742 176.117 -0.048 0.000 1.091 69 I CA 0.332 61.559 61.300 -0.122 0.000 1.442 69 I CB 0.372 38.306 38.000 -0.109 0.000 1.219 69 I HN 0.317 nan 8.210 nan 0.000 0.451 70 H N -0.414 118.568 119.070 -0.147 0.000 3.020 70 H HA 0.008 4.564 4.556 -0.000 0.000 0.303 70 H C -1.083 174.190 175.328 -0.092 0.000 1.332 70 H CA -0.450 55.525 56.048 -0.123 0.000 1.282 70 H CB 1.432 31.108 29.762 -0.143 0.000 1.928 70 H HN 0.058 nan 8.280 nan 0.000 0.519 71 D N 0.330 120.552 120.400 -0.296 0.000 2.312 71 D HA -0.068 4.572 4.640 -0.000 0.000 0.211 71 D C 0.459 176.813 176.300 0.091 0.000 0.964 71 D CA 1.133 55.077 54.000 -0.093 0.000 0.877 71 D CB 0.449 41.150 40.800 -0.164 0.000 0.924 71 D HN 0.367 nan 8.370 nan 0.000 0.515 72 D N -0.089 120.541 120.400 0.383 0.000 2.398 72 D HA 0.169 4.809 4.640 -0.000 0.000 0.210 72 D C 0.366 176.705 176.300 0.064 0.000 1.094 72 D CA -0.055 54.068 54.000 0.205 0.000 0.839 72 D CB 0.250 41.158 40.800 0.180 0.000 0.963 72 D HN 0.174 nan 8.370 nan 0.000 0.506 73 A N 1.862 124.692 122.820 0.015 0.000 2.609 73 A HA 0.097 4.417 4.320 -0.000 0.000 0.232 73 A C 0.682 178.184 177.584 -0.137 0.000 1.041 73 A CA -0.001 51.895 52.037 -0.234 0.000 0.753 73 A CB 0.015 18.879 19.000 -0.228 0.000 0.966 73 A HN 0.308 nan 8.150 nan 0.000 0.510 74 W N 0.660 121.918 121.300 -0.070 0.000 2.298 74 W HA 0.631 5.291 4.660 -0.000 0.000 0.358 74 W C -1.251 175.210 176.519 -0.097 0.000 1.241 74 W CA -1.008 56.286 57.345 -0.085 0.000 1.385 74 W CB 0.575 29.962 29.460 -0.122 0.000 1.225 74 W HN 0.412 nan 8.180 nan 0.000 0.654 75 V N 1.851 121.982 119.914 0.360 0.000 2.525 75 V HA 0.298 4.418 4.120 -0.000 0.000 0.299 75 V C -0.399 175.807 176.094 0.185 0.000 1.034 75 V CA -1.059 61.382 62.300 0.235 0.000 0.863 75 V CB 1.559 33.438 31.823 0.093 0.000 0.999 75 V HN 0.474 nan 8.190 nan 0.000 0.423 76 K N 4.113 124.613 120.400 0.166 0.000 2.259 76 K HA 0.781 5.101 4.320 -0.000 0.000 0.252 76 K C -0.749 175.867 176.600 0.027 0.000 0.936 76 K CA -0.839 55.462 56.287 0.023 0.000 0.810 76 K CB 2.691 35.138 32.500 -0.090 0.000 1.143 76 K HN 0.555 nan 8.250 nan 0.000 0.427 77 R N 0.507 121.008 120.500 0.001 0.000 2.740 77 R HA 0.479 4.819 4.340 -0.000 0.000 0.282 77 R C 0.376 176.671 176.300 -0.008 0.000 0.969 77 R CA -0.238 55.865 56.100 0.006 0.000 0.918 77 R CB 1.753 32.055 30.300 0.004 0.000 1.175 77 R HN 0.844 nan 8.270 nan 0.000 0.464 78 G N 0.977 109.776 108.800 -0.001 0.000 2.672 78 G HA2 -0.499 3.461 3.960 -0.000 0.000 0.324 78 G HA3 -0.499 3.461 3.960 -0.000 0.000 0.324 78 G C 1.257 176.130 174.900 -0.045 0.000 1.286 78 G CA 0.973 46.063 45.100 -0.017 0.000 1.004 78 G HN 0.775 nan 8.290 nan 0.000 0.548 79 S N 0.387 116.052 115.700 -0.059 0.000 2.380 79 S HA -0.198 4.272 4.470 -0.000 0.000 0.229 79 S C 2.163 176.702 174.600 -0.102 0.000 1.043 79 S CA 3.101 61.248 58.200 -0.089 0.000 1.038 79 S CB -0.598 62.561 63.200 -0.069 0.000 0.872 79 S HN 1.393 nan 8.310 nan 0.000 0.456 80 E N 0.695 120.850 120.200 -0.075 0.000 2.153 80 E HA 0.018 4.368 4.350 -0.000 0.000 0.194 80 E C 2.084 178.642 176.600 -0.070 0.000 0.988 80 E CA 1.102 57.454 56.400 -0.081 0.000 0.811 80 E CB -0.333 29.317 29.700 -0.083 0.000 0.746 80 E HN 0.552 nan 8.360 nan 0.000 0.466 81 A N 1.234 124.032 122.820 -0.037 0.000 1.872 81 A HA -0.036 4.284 4.320 -0.000 0.000 0.214 81 A C 2.477 180.096 177.584 0.058 0.000 1.187 81 A CA 1.258 53.321 52.037 0.044 0.000 0.614 81 A CB -0.633 18.419 19.000 0.086 0.000 0.826 81 A HN 0.193 nan 8.150 nan 0.000 0.442 82 V N 0.406 120.258 119.914 -0.103 0.000 2.407 82 V HA -0.251 3.869 4.120 -0.000 0.000 0.248 82 V C 2.638 178.418 176.094 -0.523 0.000 1.055 82 V CA 2.243 64.322 62.300 -0.368 0.000 1.049 82 V CB -0.902 30.625 31.823 -0.494 0.000 0.662 82 V HN 0.672 nan 8.190 nan 0.000 0.455 83 R N -0.238 120.073 120.500 -0.316 0.000 2.073 83 R HA -0.254 4.086 4.340 -0.000 0.000 0.234 83 R C 2.424 178.687 176.300 -0.061 0.000 1.134 83 R CA 2.302 58.282 56.100 -0.200 0.000 0.952 83 R CB -0.486 29.751 30.300 -0.106 0.000 0.850 83 R HN 0.704 nan 8.270 nan 0.000 0.433 84 H N 0.252 119.258 119.070 -0.107 0.000 2.352 84 H HA -0.164 4.392 4.556 -0.000 0.000 0.299 84 H C 1.900 177.258 175.328 0.050 0.000 1.097 84 H CA 1.984 57.998 56.048 -0.056 0.000 1.311 84 H CB -0.224 29.454 29.762 -0.140 0.000 1.377 84 H HN 0.234 nan 8.280 nan 0.000 0.504 85 L N -0.514 120.743 121.223 0.056 0.000 2.012 85 L HA -0.167 4.173 4.340 -0.000 0.000 0.210 85 L C 1.776 178.662 176.870 0.028 0.000 1.073 85 L CA 1.607 56.421 54.840 -0.043 0.000 0.748 85 L CB -0.928 40.951 42.059 -0.299 0.000 0.891 85 L HN 0.254 nan 8.230 nan 0.000 0.431 86 F N 0.189 120.038 119.950 -0.169 0.000 2.171 86 F HA -0.113 4.414 4.527 0.000 0.000 0.300 86 F C 2.663 178.384 175.800 -0.131 0.000 1.090 86 F CA 1.148 59.059 58.000 -0.148 0.000 1.293 86 F CB -0.941 37.992 39.000 -0.111 0.000 1.013 86 F HN 0.159 nan 8.300 nan 0.000 0.486 87 R N -0.440 120.087 120.500 0.045 0.000 2.073 87 R HA -0.074 4.266 4.340 -0.000 0.000 0.229 87 R C 2.224 178.477 176.300 -0.080 0.000 1.120 87 R CA 1.182 57.261 56.100 -0.035 0.000 0.967 87 R CB -0.693 29.567 30.300 -0.068 0.000 0.862 87 R HN 0.114 nan 8.270 nan 0.000 0.436 88 V N 1.124 120.947 119.914 -0.152 0.000 2.261 88 V HA -0.245 3.875 4.120 -0.000 0.000 0.246 88 V C 2.426 178.500 176.094 -0.034 0.000 1.047 88 V CA 2.073 64.313 62.300 -0.099 0.000 1.015 88 V CB -0.706 31.055 31.823 -0.103 0.000 0.642 88 V HN 0.403 nan 8.190 nan 0.000 0.446 89 A N -0.683 122.114 122.820 -0.039 0.000 2.019 89 A HA -0.159 4.161 4.320 -0.000 0.000 0.219 89 A C 2.310 179.863 177.584 -0.050 0.000 1.164 89 A CA 1.978 53.990 52.037 -0.042 0.000 0.644 89 A CB -0.464 18.489 19.000 -0.077 0.000 0.805 89 A HN 0.512 nan 8.150 nan 0.000 0.449 90 S N -1.702 113.967 115.700 -0.051 0.000 2.593 90 S HA 0.345 4.815 4.470 -0.000 0.000 0.217 90 S C 1.430 176.012 174.600 -0.030 0.000 0.966 90 S CA 0.795 58.964 58.200 -0.052 0.000 0.914 90 S CB 0.060 63.228 63.200 -0.053 0.000 0.776 90 S HN 1.561 nan 8.310 nan 0.000 0.523 91 G N 1.271 110.060 108.800 -0.019 0.000 2.157 91 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.248 91 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.248 91 G C 0.624 175.528 174.900 0.006 0.000 0.979 91 G CA 0.316 45.414 45.100 -0.003 0.000 0.650 91 G HN 0.506 nan 8.290 nan 0.000 0.529 92 L N -0.098 121.124 121.223 -0.002 0.000 2.478 92 L HA 0.168 4.508 4.340 -0.000 0.000 0.223 92 L C 1.887 178.773 176.870 0.027 0.000 1.140 92 L CA 0.795 55.639 54.840 0.007 0.000 0.842 92 L CB -0.131 41.926 42.059 -0.004 0.000 0.953 92 L HN 0.142 nan 8.230 nan 0.000 0.452 93 E N -0.211 120.011 120.200 0.037 0.000 2.476 93 E HA 0.173 4.523 4.350 -0.000 0.000 0.196 93 E C 0.132 176.869 176.600 0.228 0.000 1.029 93 E CA 0.023 56.481 56.400 0.097 0.000 0.896 93 E CB 0.764 30.496 29.700 0.053 0.000 1.012 93 E HN 0.181 nan 8.360 nan 0.000 0.475 94 S N 0.545 116.329 115.700 0.141 0.000 2.565 94 S HA 0.316 4.786 4.470 -0.000 0.000 0.290 94 S C 1.296 175.932 174.600 0.061 0.000 1.150 94 S CA -0.475 57.785 58.200 0.099 0.000 1.058 94 S CB 1.628 64.846 63.200 0.031 0.000 1.032 94 S HN 0.075 nan 8.310 nan 0.000 0.510 95 M N 1.334 120.903 119.600 -0.053 0.000 2.080 95 M HA -0.023 4.457 4.480 -0.000 0.000 0.260 95 M C 0.530 176.825 176.300 -0.008 0.000 1.068 95 M CA 1.588 56.870 55.300 -0.031 0.000 1.109 95 M CB -0.236 32.286 32.600 -0.131 0.000 1.342 95 M HN 0.537 nan 8.290 nan 0.000 0.405 96 M N 1.568 121.154 119.600 -0.024 0.000 2.725 96 M HA 0.160 4.640 4.480 -0.000 0.000 0.322 96 M C -0.790 175.510 176.300 0.000 0.000 1.393 96 M CA -0.547 54.747 55.300 -0.010 0.000 1.452 96 M CB 0.093 32.684 32.600 -0.016 0.000 1.242 96 M HN -0.132 nan 8.290 nan 0.000 0.487 97 V N 2.955 122.875 119.914 0.010 0.000 2.584 97 V HA 0.015 4.135 4.120 -0.000 0.000 0.303 97 V C 1.329 177.426 176.094 0.004 0.000 1.035 97 V CA 1.674 63.981 62.300 0.013 0.000 1.172 97 V CB 0.203 32.035 31.823 0.014 0.000 0.896 97 V HN 1.144 nan 8.190 nan 0.000 0.486 98 G N 3.379 112.180 108.800 0.002 0.000 2.176 98 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.253 98 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.253 98 G C 0.104 175.001 174.900 -0.006 0.000 0.979 98 G CA 0.222 45.319 45.100 -0.005 0.000 0.641 98 G HN 1.031 nan 8.290 nan 0.000 0.530 99 E N 0.540 120.739 120.200 -0.003 0.000 2.442 99 E HA 0.330 4.680 4.350 -0.000 0.000 0.262 99 E C 1.235 177.832 176.600 -0.004 0.000 1.004 99 E CA 0.129 56.527 56.400 -0.004 0.000 0.928 99 E CB 0.598 30.296 29.700 -0.004 0.000 0.937 99 E HN 0.235 nan 8.360 nan 0.000 0.446 100 Q N 2.175 121.972 119.800 -0.004 0.000 2.167 100 Q HA -0.206 4.134 4.340 -0.000 0.000 0.202 100 Q C 1.757 177.758 176.000 0.002 0.000 0.970 100 Q CA 1.721 57.521 55.803 -0.004 0.000 0.855 100 Q CB -0.208 28.527 28.738 -0.005 0.000 0.911 100 Q HN 0.865 nan 8.270 nan 0.000 0.438 101 E N 0.535 120.738 120.200 0.005 0.000 2.085 101 E HA -0.197 4.153 4.350 -0.000 0.000 0.194 101 E C 1.889 178.502 176.600 0.021 0.000 0.994 101 E CA 0.712 57.119 56.400 0.012 0.000 0.801 101 E CB -0.043 29.663 29.700 0.010 0.000 0.743 101 E HN 0.169 nan 8.360 nan 0.000 0.453 102 I N 0.870 121.453 120.570 0.022 0.000 2.361 102 I HA -0.205 3.965 4.170 -0.000 0.000 0.251 102 I C 2.053 178.191 176.117 0.036 0.000 1.133 102 I CA 0.788 62.109 61.300 0.036 0.000 1.413 102 I CB -0.298 37.724 38.000 0.036 0.000 1.073 102 I HN 0.253 nan 8.210 nan 0.000 0.424 103 L N 0.533 121.767 121.223 0.017 0.000 2.056 103 L HA -0.123 4.217 4.340 -0.000 0.000 0.207 103 L C 2.591 179.475 176.870 0.024 0.000 1.078 103 L CA 1.658 56.504 54.840 0.010 0.000 0.749 103 L CB -0.746 41.306 42.059 -0.012 0.000 0.901 103 L HN 0.157 nan 8.230 nan 0.000 0.433 104 R N -0.902 119.612 120.500 0.024 0.000 2.096 104 R HA -0.173 4.167 4.340 -0.000 0.000 0.235 104 R C 2.223 178.553 176.300 0.049 0.000 1.127 104 R CA 1.802 57.920 56.100 0.031 0.000 0.968 104 R CB -0.353 29.961 30.300 0.023 0.000 0.861 104 R HN 0.565 nan 8.270 nan 0.000 0.440 105 Q N -0.042 119.792 119.800 0.056 0.000 2.119 105 Q HA -0.084 4.256 4.340 -0.000 0.000 0.201 105 Q C 2.191 178.254 176.000 0.105 0.000 0.972 105 Q CA 1.195 57.042 55.803 0.074 0.000 0.847 105 Q CB 0.065 28.847 28.738 0.074 0.000 0.903 105 Q HN 0.137 nan 8.270 nan 0.000 0.433 106 V N 1.348 121.331 119.914 0.115 0.000 2.343 106 V HA -0.285 3.835 4.120 -0.000 0.000 0.247 106 V C 2.229 178.438 176.094 0.192 0.000 1.051 106 V CA 1.955 64.362 62.300 0.177 0.000 1.036 106 V CB -0.471 31.436 31.823 0.139 0.000 0.654 106 V HN 0.258 nan 8.190 nan 0.000 0.451 107 K N 0.825 121.300 120.400 0.126 0.000 2.057 107 K HA -0.160 4.160 4.320 -0.000 0.000 0.207 107 K C 2.063 178.752 176.600 0.148 0.000 1.049 107 K CA 1.648 58.011 56.287 0.127 0.000 0.931 107 K CB -0.341 32.199 32.500 0.067 0.000 0.714 107 K HN 0.362 nan 8.250 nan 0.000 0.440 108 K N -0.225 120.235 120.400 0.100 0.000 2.057 108 K HA -0.038 4.282 4.320 -0.000 0.000 0.206 108 K C 2.109 178.740 176.600 0.051 0.000 1.050 108 K CA 1.123 57.452 56.287 0.069 0.000 0.935 108 K CB -0.284 32.246 32.500 0.052 0.000 0.715 108 K HN 0.248 nan 8.250 nan 0.000 0.439 109 A N 0.959 123.818 122.820 0.066 0.000 1.873 109 A HA -0.258 4.062 4.320 -0.000 0.000 0.218 109 A C 2.082 179.621 177.584 -0.075 0.000 1.193 109 A CA 1.769 53.815 52.037 0.015 0.000 0.629 109 A CB -1.006 18.036 19.000 0.071 0.000 0.826 109 A HN 0.492 nan 8.150 nan 0.000 0.447 110 Y N 1.075 121.270 120.300 -0.175 0.000 2.128 110 Y HA -0.255 4.295 4.550 -0.000 0.000 0.284 110 Y C 1.928 177.743 175.900 -0.141 0.000 1.154 110 Y CA 2.213 60.164 58.100 -0.247 0.000 1.149 110 Y CB -0.229 38.169 38.460 -0.104 0.000 0.976 110 Y HN 0.363 nan 8.280 nan 0.000 0.505 111 D N -0.109 120.267 120.400 -0.041 0.000 2.117 111 D HA -0.142 4.498 4.640 -0.000 0.000 0.197 111 D C 2.264 178.477 176.300 -0.144 0.000 0.987 111 D CA 1.375 55.311 54.000 -0.107 0.000 0.829 111 D CB -0.274 40.536 40.800 0.018 0.000 0.961 111 D HN 0.402 nan 8.370 nan 0.000 0.460 112 R N 0.647 121.082 120.500 -0.107 0.000 2.081 112 R HA -0.031 4.309 4.340 -0.000 0.000 0.235 112 R C 2.319 178.533 176.300 -0.143 0.000 1.131 112 R CA 1.300 57.341 56.100 -0.098 0.000 0.960 112 R CB -0.268 29.992 30.300 -0.066 0.000 0.856 112 R HN 0.095 nan 8.270 nan 0.000 0.436 113 A N 1.101 123.800 122.820 -0.203 0.000 1.902 113 A HA -0.126 4.194 4.320 -0.000 0.000 0.217 113 A C 2.353 179.788 177.584 -0.248 0.000 1.181 113 A CA 1.695 53.594 52.037 -0.229 0.000 0.623 113 A CB -0.686 18.137 19.000 -0.296 0.000 0.818 113 A HN 0.411 nan 8.150 nan 0.000 0.443 114 A N -0.364 122.253 122.820 -0.337 0.000 1.902 114 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 114 A C 2.258 179.735 177.584 -0.178 0.000 1.181 114 A CA 1.687 53.537 52.037 -0.311 0.000 0.623 114 A CB -0.441 18.329 19.000 -0.384 0.000 0.818 114 A HN 0.521 nan 8.150 nan 0.000 0.443 115 R N -0.692 119.720 120.500 -0.146 0.000 2.299 115 R HA 0.200 4.540 4.340 -0.000 0.000 0.197 115 R C 0.920 177.173 176.300 -0.078 0.000 0.971 115 R CA 0.483 56.527 56.100 -0.094 0.000 1.030 115 R CB -0.137 30.119 30.300 -0.074 0.000 0.932 115 R HN 0.522 nan 8.270 nan 0.000 0.477 116 L N -0.998 120.171 121.223 -0.090 0.000 2.664 116 L HA 0.303 4.643 4.340 -0.000 0.000 0.233 116 L C 0.782 177.611 176.870 -0.067 0.000 1.113 116 L CA 0.482 55.279 54.840 -0.072 0.000 0.896 116 L CB 0.914 42.928 42.059 -0.075 0.000 1.163 116 L HN 0.434 nan 8.230 nan 0.000 0.497 117 G N 0.685 109.436 108.800 -0.081 0.000 2.142 117 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.225 117 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.225 117 G C 0.628 175.487 174.900 -0.068 0.000 1.015 117 G CA 0.490 45.548 45.100 -0.070 0.000 0.716 117 G HN 0.335 nan 8.290 nan 0.000 0.508 118 T N -1.697 112.803 114.554 -0.090 0.000 3.134 118 T HA 0.606 4.956 4.350 -0.000 0.000 0.260 118 T C 0.893 175.541 174.700 -0.086 0.000 1.027 118 T CA -0.364 61.690 62.100 -0.078 0.000 0.913 118 T CB 0.492 69.309 68.868 -0.086 0.000 1.046 118 T HN 0.379 nan 8.240 nan 0.000 0.553 119 L N 3.064 124.223 121.223 -0.106 0.000 2.350 119 L HA 0.524 4.864 4.340 -0.000 0.000 0.275 119 L C -0.196 176.652 176.870 -0.037 0.000 1.099 119 L CA -0.662 54.120 54.840 -0.098 0.000 0.808 119 L CB 1.009 42.971 42.059 -0.161 0.000 1.149 119 L HN 0.462 nan 8.230 nan 0.000 0.442 120 D N 0.616 121.019 120.400 0.004 0.000 2.533 120 D HA 0.094 4.734 4.640 -0.000 0.000 0.247 120 D C 0.356 176.686 176.300 0.050 0.000 1.056 120 D CA -0.674 53.341 54.000 0.024 0.000 1.054 120 D CB 1.314 42.133 40.800 0.032 0.000 1.400 120 D HN 0.522 nan 8.370 nan 0.000 0.533 121 E N -0.130 120.101 120.200 0.051 0.000 2.118 121 E HA -0.186 4.164 4.350 -0.000 0.000 0.195 121 E C 1.877 178.528 176.600 0.085 0.000 0.992 121 E CA 1.518 57.957 56.400 0.065 0.000 0.804 121 E CB -0.203 29.526 29.700 0.050 0.000 0.741 121 E HN 0.519 nan 8.360 nan 0.000 0.458 122 A N 0.667 123.536 122.820 0.081 0.000 1.877 122 A HA -0.147 4.173 4.320 -0.000 0.000 0.216 122 A C 2.146 179.815 177.584 0.140 0.000 1.186 122 A CA 1.194 53.287 52.037 0.094 0.000 0.620 122 A CB -0.614 18.435 19.000 0.081 0.000 0.822 122 A HN 0.314 nan 8.150 nan 0.000 0.443 123 L N -0.793 120.529 121.223 0.165 0.000 2.217 123 L HA -0.130 4.210 4.340 -0.000 0.000 0.211 123 L C 2.490 179.565 176.870 0.341 0.000 1.107 123 L CA 1.015 56.017 54.840 0.270 0.000 0.783 123 L CB -0.329 41.852 42.059 0.204 0.000 0.919 123 L HN 0.352 nan 8.230 nan 0.000 0.442 124 K N 0.409 120.960 120.400 0.252 0.000 2.026 124 K HA -0.142 4.178 4.320 -0.000 0.000 0.208 124 K C 2.101 178.842 176.600 0.234 0.000 1.048 124 K CA 1.363 57.841 56.287 0.318 0.000 0.929 124 K CB -0.214 32.419 32.500 0.222 0.000 0.713 124 K HN 0.236 nan 8.250 nan 0.000 0.439 125 I N 0.862 121.529 120.570 0.162 0.000 2.127 125 I HA -0.313 3.857 4.170 -0.000 0.000 0.241 125 I C 2.371 178.560 176.117 0.121 0.000 1.075 125 I CA 1.237 62.605 61.300 0.114 0.000 1.334 125 I CB -0.343 37.711 38.000 0.090 0.000 1.040 125 I HN -0.057 nan 8.210 nan 0.000 0.405 126 V N 0.430 120.431 119.914 0.145 0.000 2.261 126 V HA -0.301 3.819 4.120 -0.000 0.000 0.246 126 V C 2.243 178.365 176.094 0.046 0.000 1.047 126 V CA 2.068 64.431 62.300 0.105 0.000 1.015 126 V CB -0.673 31.172 31.823 0.038 0.000 0.642 126 V HN 0.221 nan 8.190 nan 0.000 0.446 127 F N 0.153 120.131 119.950 0.046 0.000 2.146 127 F HA -0.112 4.415 4.527 -0.000 0.000 0.298 127 F C 2.623 178.314 175.800 -0.181 0.000 1.096 127 F CA 1.703 59.681 58.000 -0.037 0.000 1.275 127 F CB -0.427 38.611 39.000 0.064 0.000 1.008 127 F HN -0.066 nan 8.300 nan 0.000 0.480 128 R N -0.297 120.169 120.500 -0.057 0.000 2.103 128 R HA -0.198 4.142 4.340 -0.000 0.000 0.242 128 R C 2.328 178.550 176.300 -0.130 0.000 1.142 128 R CA 1.702 57.700 56.100 -0.171 0.000 0.960 128 R CB -0.302 29.937 30.300 -0.102 0.000 0.858 128 R HN 0.149 nan 8.270 nan 0.000 0.439 129 R N -0.268 120.188 120.500 -0.073 0.000 2.115 129 R HA -0.022 4.318 4.340 -0.000 0.000 0.226 129 R C 2.089 178.186 176.300 -0.338 0.000 1.100 129 R CA 1.148 57.164 56.100 -0.140 0.000 0.980 129 R CB -0.092 30.197 30.300 -0.020 0.000 0.875 129 R HN 0.229 nan 8.270 nan 0.000 0.445 130 A N 0.837 123.512 122.820 -0.241 0.000 1.877 130 A HA -0.160 4.160 4.320 -0.000 0.000 0.216 130 A C 2.071 179.487 177.584 -0.280 0.000 1.186 130 A CA 1.369 53.204 52.037 -0.337 0.000 0.620 130 A CB -0.481 18.416 19.000 -0.172 0.000 0.822 130 A HN 0.313 nan 8.150 nan 0.000 0.443 131 I N -0.080 120.373 120.570 -0.195 0.000 2.252 131 I HA -0.275 3.895 4.170 -0.000 0.000 0.245 131 I C 2.418 178.439 176.117 -0.159 0.000 1.102 131 I CA 1.765 62.975 61.300 -0.151 0.000 1.385 131 I CB -0.422 37.491 38.000 -0.144 0.000 1.064 131 I HN 0.634 nan 8.210 nan 0.000 0.414 132 N N 0.934 119.527 118.700 -0.179 0.000 2.244 132 N HA -0.217 4.523 4.740 -0.000 0.000 0.183 132 N C 1.998 177.399 175.510 -0.181 0.000 1.016 132 N CA 0.696 53.653 53.050 -0.155 0.000 0.866 132 N CB 0.006 38.410 38.487 -0.138 0.000 0.980 132 N HN 0.177 nan 8.380 nan 0.000 0.430 133 L N 0.758 121.819 121.223 -0.269 0.000 2.027 133 L HA 0.170 4.510 4.340 -0.000 0.000 0.206 133 L C 2.264 179.010 176.870 -0.207 0.000 1.074 133 L CA 2.013 56.675 54.840 -0.297 0.000 0.745 133 L CB -1.203 40.536 42.059 -0.534 0.000 0.898 133 L HN 0.254 nan 8.230 nan 0.000 0.433 134 G N -0.478 108.210 108.800 -0.187 0.000 2.476 134 G HA2 -0.399 3.561 3.960 -0.000 0.000 0.218 134 G HA3 -0.399 3.561 3.960 -0.000 0.000 0.218 134 G C 1.709 176.554 174.900 -0.091 0.000 1.164 134 G CA 1.089 46.117 45.100 -0.120 0.000 0.768 134 G HN 0.491 nan 8.290 nan 0.000 0.560 135 K N 0.111 120.456 120.400 -0.092 0.000 2.032 135 K HA -0.064 4.256 4.320 -0.000 0.000 0.209 135 K C 2.673 179.231 176.600 -0.070 0.000 1.048 135 K CA 1.012 57.256 56.287 -0.072 0.000 0.927 135 K CB -0.195 32.264 32.500 -0.070 0.000 0.712 135 K HN 0.136 nan 8.250 nan 0.000 0.441 136 R N -0.072 120.377 120.500 -0.086 0.000 2.081 136 R HA -0.099 4.241 4.340 -0.000 0.000 0.235 136 R C 2.364 178.623 176.300 -0.068 0.000 1.131 136 R CA 1.281 57.335 56.100 -0.077 0.000 0.960 136 R CB -0.407 29.837 30.300 -0.092 0.000 0.856 136 R HN 0.333 nan 8.270 nan 0.000 0.436 137 A N 1.021 123.795 122.820 -0.078 0.000 1.933 137 A HA -0.149 4.171 4.320 -0.000 0.000 0.218 137 A C 2.068 179.623 177.584 -0.047 0.000 1.175 137 A CA 1.136 53.135 52.037 -0.063 0.000 0.628 137 A CB -0.287 18.671 19.000 -0.069 0.000 0.814 137 A HN 0.233 nan 8.150 nan 0.000 0.444 138 R N -0.880 119.592 120.500 -0.047 0.000 2.236 138 R HA 0.012 4.352 4.340 -0.000 0.000 0.208 138 R C 1.792 178.073 176.300 -0.032 0.000 1.036 138 R CA 1.109 57.188 56.100 -0.036 0.000 1.001 138 R CB -0.049 30.231 30.300 -0.034 0.000 0.896 138 R HN 0.654 nan 8.270 nan 0.000 0.464 139 E N 0.386 120.564 120.200 -0.036 0.000 2.102 139 E HA -0.075 4.275 4.350 -0.000 0.000 0.190 139 E C 1.268 177.850 176.600 -0.029 0.000 0.971 139 E CA 0.671 57.052 56.400 -0.032 0.000 0.821 139 E CB 0.365 30.044 29.700 -0.035 0.000 0.777 139 E HN 0.298 nan 8.360 nan 0.000 0.460 140 E N 0.098 120.279 120.200 -0.033 0.000 2.447 140 E HA -0.005 4.345 4.350 -0.000 0.000 0.195 140 E C 0.641 177.225 176.600 -0.026 0.000 1.028 140 E CA 0.571 56.954 56.400 -0.030 0.000 0.876 140 E CB 0.664 30.344 29.700 -0.034 0.000 0.885 140 E HN 0.146 nan 8.360 nan 0.000 0.500 141 T N -2.542 111.997 114.554 -0.026 0.000 2.773 141 T HA 0.387 4.737 4.350 -0.000 0.000 0.278 141 T C 0.376 175.064 174.700 -0.019 0.000 1.011 141 T CA -0.897 61.190 62.100 -0.021 0.000 1.014 141 T CB 1.696 70.551 68.868 -0.022 0.000 1.293 141 T HN -0.175 nan 8.240 nan 0.000 0.554 142 R N -0.186 120.304 120.500 -0.016 0.000 2.507 142 R HA 0.310 4.650 4.340 -0.000 0.000 0.298 142 R C 1.315 177.607 176.300 -0.012 0.000 0.999 142 R CA -0.206 55.886 56.100 -0.013 0.000 1.082 142 R CB -0.316 29.977 30.300 -0.011 0.000 1.246 142 R HN 0.547 nan 8.270 nan 0.000 0.553 143 I N 1.151 121.713 120.570 -0.014 0.000 2.423 143 I HA -0.228 3.942 4.170 -0.000 0.000 0.254 143 I C 1.245 177.355 176.117 -0.011 0.000 1.151 143 I CA 1.641 62.933 61.300 -0.012 0.000 1.421 143 I CB 0.248 38.239 38.000 -0.016 0.000 1.079 143 I HN 0.033 nan 8.210 nan 0.000 0.431 144 S N -1.096 114.596 115.700 -0.013 0.000 2.651 144 S HA 0.350 4.820 4.470 -0.000 0.000 0.246 144 S C 0.113 174.707 174.600 -0.010 0.000 1.039 144 S CA -0.735 57.459 58.200 -0.011 0.000 1.013 144 S CB -0.177 63.014 63.200 -0.014 0.000 0.861 144 S HN 0.179 nan 8.310 nan 0.000 0.485 145 E N 1.675 121.870 120.200 -0.009 0.000 2.204 145 E HA 0.637 4.987 4.350 -0.000 0.000 0.276 145 E C 0.340 176.937 176.600 -0.006 0.000 0.974 145 E CA -0.136 56.260 56.400 -0.008 0.000 0.815 145 E CB 1.480 31.174 29.700 -0.009 0.000 1.119 145 E HN 0.586 nan 8.360 nan 0.000 0.393 146 G N 0.864 109.661 108.800 -0.005 0.000 2.907 146 G HA2 0.091 4.051 3.960 -0.000 0.000 0.686 146 G HA3 0.091 4.051 3.960 -0.000 0.000 0.686 146 G C -0.303 174.595 174.900 -0.003 0.000 1.115 146 G CA -0.559 44.539 45.100 -0.004 0.000 0.760 146 G HN 0.641 nan 8.290 nan 0.000 0.620 147 A N 0.776 123.594 122.820 -0.002 0.000 2.491 147 A HA 0.635 4.955 4.320 -0.000 0.000 0.261 147 A C 1.486 179.068 177.584 -0.002 0.000 1.101 147 A CA 0.659 52.695 52.037 -0.002 0.000 0.772 147 A CB 0.470 19.470 19.000 -0.001 0.000 1.043 147 A HN 2.313 nan 8.150 nan 0.000 0.501 148 V N 0.916 120.829 119.914 -0.003 0.000 3.070 148 V HA 0.427 4.547 4.120 -0.000 0.000 0.345 148 V C 0.280 176.372 176.094 -0.004 0.000 1.403 148 V CA 0.494 62.792 62.300 -0.003 0.000 1.155 148 V CB -1.372 30.449 31.823 -0.003 0.000 1.140 148 V HN 1.040 nan 8.190 nan 0.000 0.505 149 S N -0.038 115.660 115.700 -0.003 0.000 2.661 149 S HA 0.643 5.113 4.470 -0.000 0.000 0.285 149 S C 0.866 175.465 174.600 -0.002 0.000 1.138 149 S CA -0.243 57.955 58.200 -0.004 0.000 0.855 149 S CB 1.912 65.109 63.200 -0.005 0.000 1.136 149 S HN 0.450 nan 8.310 nan 0.000 0.484 150 I N -0.740 119.829 120.570 -0.002 0.000 2.208 150 I HA 0.126 4.296 4.170 -0.000 0.000 0.245 150 I C 2.082 178.199 176.117 -0.000 0.000 1.097 150 I CA 1.718 63.018 61.300 -0.001 0.000 1.363 150 I CB -1.140 36.859 38.000 -0.001 0.000 1.051 150 I HN 0.717 nan 8.210 nan 0.000 0.413 151 G N 1.500 110.300 108.800 -0.000 0.000 2.414 151 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.215 151 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.215 151 G C 1.808 176.709 174.900 0.001 0.000 1.188 151 G CA 1.353 46.453 45.100 0.000 0.000 0.783 151 G HN 0.593 nan 8.290 nan 0.000 0.537 152 S N 1.272 116.972 115.700 0.000 0.000 2.399 152 S HA 0.133 4.603 4.470 -0.000 0.000 0.231 152 S C 2.579 177.180 174.600 0.001 0.000 1.022 152 S CA 1.504 59.705 58.200 0.000 0.000 0.983 152 S CB -0.449 62.750 63.200 -0.001 0.000 0.803 152 S HN 0.602 nan 8.310 nan 0.000 0.480 153 A N 2.049 124.869 122.820 0.001 0.000 1.933 153 A HA 0.319 4.639 4.320 -0.000 0.000 0.218 153 A C 2.523 180.108 177.584 0.002 0.000 1.175 153 A CA 1.649 53.687 52.037 0.001 0.000 0.628 153 A CB -1.404 17.596 19.000 0.001 0.000 0.814 153 A HN 0.868 nan 8.150 nan 0.000 0.444 154 A N -0.612 122.209 122.820 0.002 0.000 1.930 154 A HA 0.037 4.357 4.320 -0.000 0.000 0.217 154 A C 2.201 179.788 177.584 0.004 0.000 1.175 154 A CA 1.660 53.699 52.037 0.003 0.000 0.627 154 A CB -0.792 18.210 19.000 0.003 0.000 0.815 154 A HN 0.354 nan 8.150 nan 0.000 0.443 155 V N -0.085 119.831 119.914 0.005 0.000 2.358 155 V HA -0.259 3.861 4.120 -0.000 0.000 0.246 155 V C 2.423 178.521 176.094 0.006 0.000 1.047 155 V CA 2.250 64.554 62.300 0.006 0.000 1.035 155 V CB -0.747 31.079 31.823 0.006 0.000 0.658 155 V HN 0.633 nan 8.190 nan 0.000 0.452 156 E N -0.297 119.906 120.200 0.004 0.000 2.058 156 E HA -0.272 4.078 4.350 -0.000 0.000 0.194 156 E C 2.149 178.751 176.600 0.004 0.000 0.997 156 E CA 1.651 58.053 56.400 0.004 0.000 0.801 156 E CB -0.220 29.481 29.700 0.002 0.000 0.746 156 E HN 0.459 nan 8.360 nan 0.000 0.450 157 L N 0.599 121.824 121.223 0.004 0.000 2.046 157 L HA -0.108 4.232 4.340 -0.000 0.000 0.208 157 L C 2.130 179.004 176.870 0.006 0.000 1.077 157 L CA 2.048 56.890 54.840 0.004 0.000 0.747 157 L CB -0.456 41.605 42.059 0.003 0.000 0.896 157 L HN 0.032 nan 8.230 nan 0.000 0.432 158 A N -0.728 122.096 122.820 0.007 0.000 1.898 158 A HA -0.195 4.125 4.320 -0.000 0.000 0.216 158 A C 2.178 179.769 177.584 0.012 0.000 1.181 158 A CA 1.693 53.736 52.037 0.009 0.000 0.620 158 A CB -0.641 18.365 19.000 0.009 0.000 0.819 158 A HN 0.609 nan 8.150 nan 0.000 0.442 159 E N -0.843 119.364 120.200 0.012 0.000 2.110 159 E HA -0.218 4.132 4.350 -0.000 0.000 0.193 159 E C 2.292 178.899 176.600 0.011 0.000 0.988 159 E CA 1.243 57.651 56.400 0.014 0.000 0.804 159 E CB -0.155 29.552 29.700 0.012 0.000 0.745 159 E HN 0.622 nan 8.360 nan 0.000 0.458 160 R N 0.823 121.327 120.500 0.008 0.000 2.092 160 R HA -0.127 4.213 4.340 -0.000 0.000 0.231 160 R C 1.906 178.210 176.300 0.007 0.000 1.119 160 R CA 1.146 57.250 56.100 0.006 0.000 0.970 160 R CB 0.202 30.505 30.300 0.004 0.000 0.864 160 R HN 0.026 nan 8.270 nan 0.000 0.440 161 E N 0.115 120.320 120.200 0.007 0.000 2.158 161 E HA -0.065 4.285 4.350 -0.000 0.000 0.191 161 E C 1.728 178.333 176.600 0.008 0.000 0.982 161 E CA 0.924 57.328 56.400 0.007 0.000 0.823 161 E CB 0.313 30.016 29.700 0.006 0.000 0.766 161 E HN 0.422 nan 8.360 nan 0.000 0.468 162 L N -1.546 119.683 121.223 0.011 0.000 2.840 162 L HA 0.286 4.626 4.340 -0.000 0.000 0.249 162 L C 1.215 178.097 176.870 0.020 0.000 1.119 162 L CA 0.261 55.109 54.840 0.013 0.000 0.930 162 L CB 0.645 42.711 42.059 0.012 0.000 1.295 162 L HN 0.147 nan 8.230 nan 0.000 0.534 163 G N 0.589 109.402 108.800 0.022 0.000 2.481 163 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.230 163 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.230 163 G C -0.173 174.755 174.900 0.045 0.000 1.210 163 G CA -0.061 45.057 45.100 0.030 0.000 0.936 163 G HN 0.125 nan 8.290 nan 0.000 0.583 164 S N 0.085 115.828 115.700 0.072 0.000 2.531 164 S HA 0.460 4.930 4.470 -0.000 0.000 0.279 164 S C 1.755 176.446 174.600 0.152 0.000 1.305 164 S CA 0.215 58.485 58.200 0.118 0.000 1.058 164 S CB 0.314 63.615 63.200 0.168 0.000 0.899 164 S HN 0.796 nan 8.310 nan 0.000 0.493 165 L N 4.925 126.226 121.223 0.129 0.000 2.509 165 L HA 0.049 4.389 4.340 -0.000 0.000 0.222 165 L C 2.389 179.308 176.870 0.081 0.000 1.123 165 L CA 0.220 55.109 54.840 0.083 0.000 0.856 165 L CB -0.704 41.385 42.059 0.051 0.000 0.985 165 L HN 0.837 nan 8.230 nan 0.000 0.456 166 H N 0.900 119.969 119.070 -0.001 0.000 2.390 166 H HA -0.208 4.348 4.556 -0.000 0.000 0.298 166 H C 0.971 176.299 175.328 -0.000 0.000 1.106 166 H CA 1.789 57.837 56.048 -0.001 0.000 1.297 166 H CB -0.563 29.198 29.762 -0.001 0.000 1.375 166 H HN 0.525 nan 8.280 nan 0.000 0.509 167 D N 0.221 120.190 120.400 -0.718 0.000 2.368 167 D HA 0.067 4.707 4.640 -0.000 0.000 0.218 167 D C 0.018 176.191 176.300 -0.212 0.000 1.112 167 D CA -0.304 53.395 54.000 -0.500 0.000 0.834 167 D CB 0.230 40.660 40.800 -0.617 0.000 0.953 167 D HN 0.036 nan 8.370 nan 0.000 0.505 168 K N 0.151 120.473 120.400 -0.130 0.000 2.095 168 K HA 0.458 4.778 4.320 -0.000 0.000 0.252 168 K C 0.023 176.595 176.600 -0.045 0.000 0.977 168 K CA -0.438 55.810 56.287 -0.065 0.000 0.900 168 K CB 1.295 33.776 32.500 -0.032 0.000 1.060 168 K HN -0.110 nan 8.250 nan 0.000 0.449 169 T N 0.767 115.302 114.554 -0.030 0.000 2.824 169 T HA 0.370 4.720 4.350 -0.000 0.000 0.280 169 T C -0.330 174.362 174.700 -0.013 0.000 0.995 169 T CA -0.621 61.466 62.100 -0.022 0.000 1.009 169 T CB 1.298 70.155 68.868 -0.017 0.000 0.955 169 T HN 0.104 nan 8.240 nan 0.000 0.452 170 V N 4.343 124.249 119.914 -0.013 0.000 2.435 170 V HA 0.483 4.603 4.120 -0.000 0.000 0.290 170 V C -0.413 175.675 176.094 -0.011 0.000 1.030 170 V CA -0.859 61.436 62.300 -0.008 0.000 0.881 170 V CB 1.474 33.293 31.823 -0.007 0.000 0.983 170 V HN 0.656 nan 8.190 nan 0.000 0.445 171 L N 7.091 128.312 121.223 -0.003 0.000 2.287 171 L HA 0.658 4.998 4.340 -0.000 0.000 0.287 171 L C -0.488 176.385 176.870 0.006 0.000 1.022 171 L CA 0.082 54.920 54.840 -0.004 0.000 0.814 171 L CB 1.607 43.675 42.059 0.016 0.000 1.217 171 L HN 0.419 nan 8.230 nan 0.000 0.420 172 V N 6.088 126.003 119.914 0.003 0.000 2.370 172 V HA 0.485 4.605 4.120 -0.000 0.000 0.283 172 V C -0.317 175.802 176.094 0.041 0.000 1.023 172 V CA -0.641 61.669 62.300 0.017 0.000 0.857 172 V CB 1.550 33.377 31.823 0.007 0.000 0.985 172 V HN 0.531 nan 8.190 nan 0.000 0.443 173 V N 4.553 124.504 119.914 0.061 0.000 2.350 173 V HA 0.934 5.054 4.120 -0.000 0.000 0.285 173 V C 0.607 176.767 176.094 0.111 0.000 1.014 173 V CA 0.362 62.731 62.300 0.114 0.000 0.831 173 V CB 0.547 32.447 31.823 0.128 0.000 1.000 173 V HN 1.325 nan 8.190 nan 0.000 0.433 174 G N 4.212 113.081 108.800 0.115 0.000 2.661 174 G HA2 0.318 4.278 3.960 -0.000 0.000 0.685 174 G HA3 0.318 4.278 3.960 -0.000 0.000 0.685 174 G C 0.061 174.984 174.900 0.039 0.000 1.298 174 G CA -0.018 45.127 45.100 0.075 0.000 0.855 174 G HN 1.555 nan 8.290 nan 0.000 0.560 175 A N -0.280 122.553 122.820 0.021 0.000 2.571 175 A HA 0.744 5.064 4.320 -0.000 0.000 0.274 175 A C 1.402 178.989 177.584 0.004 0.000 1.196 175 A CA 1.361 53.402 52.037 0.007 0.000 0.957 175 A CB -0.046 18.952 19.000 -0.003 0.000 1.150 175 A HN 2.428 nan 8.150 nan 0.000 0.539 176 G N 0.045 108.850 108.800 0.008 0.000 2.321 176 G HA2 0.248 4.208 3.960 -0.000 0.000 0.237 176 G HA3 0.248 4.208 3.960 -0.000 0.000 0.237 176 G C 0.631 175.532 174.900 0.002 0.000 1.282 176 G CA -0.145 44.957 45.100 0.004 0.000 0.886 176 G HN 0.257 nan 8.290 nan 0.000 0.528 177 E N 2.079 122.278 120.200 -0.000 0.000 2.097 177 E HA -0.177 4.173 4.350 -0.000 0.000 0.196 177 E C 2.600 179.200 176.600 -0.000 0.000 1.000 177 E CA 1.167 57.567 56.400 -0.001 0.000 0.804 177 E CB -0.151 29.548 29.700 -0.002 0.000 0.740 177 E HN 0.722 nan 8.360 nan 0.000 0.454 178 M N -0.343 119.258 119.600 0.000 0.000 2.229 178 M HA -0.063 4.417 4.480 -0.000 0.000 0.264 178 M C 2.266 178.567 176.300 0.002 0.000 1.063 178 M CA 1.393 56.694 55.300 0.001 0.000 1.114 178 M CB -0.361 32.240 32.600 0.001 0.000 1.387 178 M HN 0.111 nan 8.290 nan 0.000 0.420 179 G N 0.732 109.535 108.800 0.004 0.000 2.402 179 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.216 179 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.216 179 G C 1.597 176.499 174.900 0.004 0.000 1.162 179 G CA 0.695 45.799 45.100 0.006 0.000 0.777 179 G HN 0.384 nan 8.290 nan 0.000 0.539 180 K N -0.099 120.302 120.400 0.002 0.000 2.057 180 K HA -0.048 4.272 4.320 -0.000 0.000 0.207 180 K C 2.770 179.370 176.600 -0.001 0.000 1.049 180 K CA 1.583 57.870 56.287 -0.001 0.000 0.931 180 K CB -0.365 32.133 32.500 -0.003 0.000 0.714 180 K HN 0.179 nan 8.250 nan 0.000 0.440 181 T N 1.026 115.580 114.554 -0.001 0.000 2.684 181 T HA -0.132 4.218 4.350 -0.000 0.000 0.267 181 T C 2.006 176.706 174.700 0.000 0.000 1.036 181 T CA 1.366 63.466 62.100 -0.001 0.000 1.148 181 T CB -0.240 68.627 68.868 -0.001 0.000 0.863 181 T HN -0.053 nan 8.240 nan 0.000 0.436 182 V N 1.628 121.543 119.914 0.001 0.000 2.295 182 V HA -0.190 3.930 4.120 -0.000 0.000 0.246 182 V C 2.870 178.965 176.094 0.002 0.000 1.049 182 V CA 1.778 64.079 62.300 0.002 0.000 1.024 182 V CB -1.219 30.606 31.823 0.003 0.000 0.648 182 V HN 0.542 nan 8.190 nan 0.000 0.447 183 A N -0.421 122.400 122.820 0.001 0.000 1.877 183 A HA -0.258 4.062 4.320 -0.000 0.000 0.216 183 A C 2.291 179.875 177.584 -0.000 0.000 1.186 183 A CA 2.067 54.104 52.037 0.000 0.000 0.620 183 A CB -0.481 18.518 19.000 -0.001 0.000 0.822 183 A HN 0.537 nan 8.150 nan 0.000 0.443 184 K N -0.091 120.309 120.400 -0.001 0.000 2.103 184 K HA -0.097 4.223 4.320 -0.000 0.000 0.207 184 K C 2.348 178.948 176.600 0.001 0.000 1.048 184 K CA 1.516 57.802 56.287 -0.001 0.000 0.930 184 K CB -0.187 32.312 32.500 -0.002 0.000 0.716 184 K HN 0.452 nan 8.250 nan 0.000 0.444 185 S N 1.373 117.074 115.700 0.001 0.000 2.368 185 S HA -0.073 4.397 4.470 -0.000 0.000 0.224 185 S C 1.927 176.530 174.600 0.004 0.000 1.029 185 S CA 0.974 59.176 58.200 0.003 0.000 0.988 185 S CB -0.173 63.028 63.200 0.002 0.000 0.838 185 S HN 0.175 nan 8.310 nan 0.000 0.462 186 L N 0.966 122.192 121.223 0.004 0.000 2.017 186 L HA -0.081 4.259 4.340 -0.000 0.000 0.208 186 L C 2.373 179.248 176.870 0.007 0.000 1.073 186 L CA 0.871 55.715 54.840 0.006 0.000 0.745 186 L CB -0.750 41.312 42.059 0.005 0.000 0.894 186 L HN 0.172 nan 8.230 nan 0.000 0.432 187 V N -0.135 119.781 119.914 0.004 0.000 2.332 187 V HA -0.319 3.801 4.120 -0.000 0.000 0.248 187 V C 2.102 178.200 176.094 0.007 0.000 1.055 187 V CA 1.968 64.270 62.300 0.004 0.000 1.038 187 V CB -0.525 31.298 31.823 0.001 0.000 0.651 187 V HN 0.456 nan 8.190 nan 0.000 0.450 188 D N -0.539 119.865 120.400 0.006 0.000 2.149 188 D HA -0.142 4.498 4.640 -0.000 0.000 0.201 188 D C 2.286 178.591 176.300 0.009 0.000 0.972 188 D CA 1.059 55.062 54.000 0.006 0.000 0.835 188 D CB -0.232 40.570 40.800 0.004 0.000 0.966 188 D HN 0.275 nan 8.370 nan 0.000 0.476 189 R N 0.671 121.178 120.500 0.011 0.000 2.083 189 R HA -0.047 4.293 4.340 -0.000 0.000 0.237 189 R C 0.372 176.686 176.300 0.023 0.000 1.137 189 R CA 1.605 57.713 56.100 0.014 0.000 0.951 189 R CB -0.240 30.069 30.300 0.016 0.000 0.851 189 R HN 0.168 nan 8.270 nan 0.000 0.434 190 G N -0.644 108.172 108.800 0.027 0.000 3.152 190 G HA2 0.128 4.088 3.960 -0.000 0.000 0.666 190 G HA3 0.128 4.088 3.960 -0.000 0.000 0.666 190 G C -0.836 174.093 174.900 0.049 0.000 1.205 190 G CA -0.397 44.727 45.100 0.040 0.000 1.178 190 G HN 0.697 nan 8.290 nan 0.000 0.510 191 V N 0.603 120.534 119.914 0.028 0.000 3.126 191 V HA 0.833 4.953 4.120 -0.000 0.000 0.314 191 V C 1.404 177.494 176.094 -0.006 0.000 1.138 191 V CA -0.392 61.913 62.300 0.009 0.000 1.034 191 V CB 1.915 33.737 31.823 -0.001 0.000 1.075 191 V HN 0.871 nan 8.190 nan 0.000 0.442 192 R N 0.978 121.458 120.500 -0.033 0.000 2.080 192 R HA 0.596 4.936 4.340 -0.000 0.000 0.222 192 R C 0.570 176.856 176.300 -0.024 0.000 1.107 192 R CA 1.247 57.324 56.100 -0.038 0.000 0.980 192 R CB 0.149 30.407 30.300 -0.070 0.000 0.879 192 R HN 1.171 nan 8.270 nan 0.000 0.439 193 A N -0.287 122.518 122.820 -0.024 0.000 2.594 193 A HA 0.582 4.902 4.320 -0.000 0.000 0.295 193 A C -1.656 175.916 177.584 -0.021 0.000 1.071 193 A CA -0.680 51.345 52.037 -0.020 0.000 0.685 193 A CB 2.214 21.201 19.000 -0.021 0.000 1.285 193 A HN -0.000 nan 8.150 nan 0.000 0.405 194 V N 1.916 121.817 119.914 -0.022 0.000 2.483 194 V HA 0.476 4.596 4.120 -0.000 0.000 0.297 194 V C -0.603 175.467 176.094 -0.039 0.000 1.027 194 V CA -0.270 62.015 62.300 -0.025 0.000 0.855 194 V CB 1.333 33.143 31.823 -0.020 0.000 0.995 194 V HN 0.732 nan 8.190 nan 0.000 0.424 195 L N 5.174 126.365 121.223 -0.054 0.000 2.317 195 L HA 0.753 5.093 4.340 -0.000 0.000 0.281 195 L C -0.754 176.068 176.870 -0.080 0.000 1.024 195 L CA -0.864 53.919 54.840 -0.096 0.000 0.810 195 L CB 1.999 43.963 42.059 -0.158 0.000 1.240 195 L HN 0.342 nan 8.230 nan 0.000 0.427 196 V N 1.979 121.846 119.914 -0.078 0.000 2.483 196 V HA 0.783 4.903 4.120 -0.000 0.000 0.297 196 V C -0.138 175.953 176.094 -0.005 0.000 1.027 196 V CA -0.473 61.805 62.300 -0.037 0.000 0.855 196 V CB 1.581 33.380 31.823 -0.039 0.000 0.995 196 V HN 0.877 nan 8.190 nan 0.000 0.424 197 A N 4.205 127.063 122.820 0.062 0.000 2.401 197 A HA 0.918 5.238 4.320 -0.000 0.000 0.310 197 A C -0.781 176.952 177.584 0.248 0.000 1.075 197 A CA -0.642 51.507 52.037 0.187 0.000 0.746 197 A CB 1.838 20.977 19.000 0.232 0.000 1.277 197 A HN 0.721 nan 8.150 nan 0.000 0.425 198 N N 0.388 119.263 118.700 0.293 0.000 2.446 198 N HA 0.200 4.940 4.740 -0.000 0.000 0.272 198 N C 0.139 175.630 175.510 -0.031 0.000 1.127 198 N CA -0.515 52.623 53.050 0.147 0.000 0.896 198 N CB 1.760 40.276 38.487 0.048 0.000 1.658 198 N HN 0.641 nan 8.380 nan 0.000 0.483 199 R N -0.117 120.147 120.500 -0.394 0.000 2.249 199 R HA -0.001 4.339 4.340 -0.000 0.000 0.230 199 R C 0.019 176.190 176.300 -0.215 0.000 1.121 199 R CA 1.077 56.800 56.100 -0.628 0.000 0.997 199 R CB -0.008 29.923 30.300 -0.614 0.000 0.867 199 R HN 0.404 nan 8.270 nan 0.000 0.465 200 T N -0.049 114.455 114.554 -0.084 0.000 2.842 200 T HA 0.071 4.421 4.350 -0.000 0.000 0.308 200 T C -0.083 174.658 174.700 0.068 0.000 1.041 200 T CA -0.549 61.550 62.100 -0.001 0.000 0.964 200 T CB 1.142 70.001 68.868 -0.015 0.000 0.972 200 T HN 0.088 nan 8.240 nan 0.000 0.460 201 Y N 3.131 123.428 120.300 -0.004 0.000 2.193 201 Y HA -0.221 4.329 4.550 -0.000 0.000 0.285 201 Y C 2.220 178.129 175.900 0.014 0.000 1.166 201 Y CA 1.837 59.950 58.100 0.022 0.000 1.181 201 Y CB 0.110 38.587 38.460 0.030 0.000 0.976 201 Y HN 0.604 nan 8.280 nan 0.000 0.520 202 E N -0.245 119.952 120.200 -0.005 0.000 2.106 202 E HA -0.156 4.194 4.350 -0.000 0.000 0.192 202 E C 2.182 178.712 176.600 -0.117 0.000 0.984 202 E CA 0.925 57.269 56.400 -0.092 0.000 0.806 202 E CB -0.069 29.625 29.700 -0.010 0.000 0.750 202 E HN 0.167 nan 8.360 nan 0.000 0.458 203 R N -0.014 120.442 120.500 -0.072 0.000 2.105 203 R HA -0.075 4.265 4.340 -0.000 0.000 0.239 203 R C 2.138 178.383 176.300 -0.092 0.000 1.135 203 R CA 1.286 57.349 56.100 -0.062 0.000 0.967 203 R CB -1.104 29.175 30.300 -0.035 0.000 0.861 203 R HN 0.277 nan 8.270 nan 0.000 0.442 204 A N 0.401 123.141 122.820 -0.134 0.000 1.898 204 A HA -0.089 4.231 4.320 -0.000 0.000 0.216 204 A C 2.494 179.940 177.584 -0.229 0.000 1.181 204 A CA 1.470 53.412 52.037 -0.159 0.000 0.620 204 A CB -0.576 18.331 19.000 -0.156 0.000 0.819 204 A HN 0.099 nan 8.150 nan 0.000 0.442 205 V N 0.292 119.986 119.914 -0.367 0.000 2.332 205 V HA -0.291 3.829 4.120 -0.000 0.000 0.248 205 V C 2.433 178.434 176.094 -0.155 0.000 1.055 205 V CA 2.341 64.459 62.300 -0.303 0.000 1.038 205 V CB -0.858 30.756 31.823 -0.348 0.000 0.651 205 V HN 0.631 nan 8.190 nan 0.000 0.450 206 E N -0.321 119.803 120.200 -0.127 0.000 2.031 206 E HA -0.253 4.097 4.350 -0.000 0.000 0.193 206 E C 2.155 178.718 176.600 -0.061 0.000 0.994 206 E CA 1.516 57.871 56.400 -0.076 0.000 0.800 206 E CB -0.265 29.399 29.700 -0.060 0.000 0.752 206 E HN 0.397 nan 8.360 nan 0.000 0.447 207 L N 1.014 122.200 121.223 -0.062 0.000 2.056 207 L HA -0.066 4.274 4.340 -0.000 0.000 0.207 207 L C 2.202 179.046 176.870 -0.044 0.000 1.078 207 L CA 1.904 56.718 54.840 -0.043 0.000 0.749 207 L CB -0.713 41.326 42.059 -0.034 0.000 0.901 207 L HN 0.037 nan 8.230 nan 0.000 0.433 208 A N -0.386 122.397 122.820 -0.060 0.000 1.940 208 A HA -0.271 4.049 4.320 -0.000 0.000 0.219 208 A C 2.549 180.108 177.584 -0.042 0.000 1.176 208 A CA 1.888 53.893 52.037 -0.052 0.000 0.631 208 A CB -0.681 18.279 19.000 -0.067 0.000 0.814 208 A HN 0.507 nan 8.150 nan 0.000 0.446 209 R N -0.385 120.088 120.500 -0.046 0.000 2.083 209 R HA -0.188 4.152 4.340 -0.000 0.000 0.237 209 R C 1.577 177.862 176.300 -0.025 0.000 1.137 209 R CA 1.960 58.040 56.100 -0.034 0.000 0.951 209 R CB -0.437 29.842 30.300 -0.035 0.000 0.851 209 R HN 0.473 nan 8.270 nan 0.000 0.434 210 D N 0.641 121.026 120.400 -0.025 0.000 2.106 210 D HA -0.192 4.448 4.640 -0.000 0.000 0.191 210 D C 1.864 178.155 176.300 -0.015 0.000 0.997 210 D CA 1.355 55.344 54.000 -0.018 0.000 0.834 210 D CB -0.236 40.553 40.800 -0.018 0.000 0.956 210 D HN 0.285 nan 8.370 nan 0.000 0.448 211 L N -0.739 120.473 121.223 -0.017 0.000 2.478 211 L HA 0.130 4.470 4.340 -0.000 0.000 0.223 211 L C 1.405 178.268 176.870 -0.013 0.000 1.140 211 L CA 0.476 55.307 54.840 -0.014 0.000 0.842 211 L CB -0.283 41.767 42.059 -0.016 0.000 0.953 211 L HN 0.170 nan 8.230 nan 0.000 0.452 212 G N 0.155 108.946 108.800 -0.015 0.000 2.176 212 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.252 212 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.252 212 G C 0.369 175.261 174.900 -0.014 0.000 1.024 212 G CA 0.051 45.143 45.100 -0.012 0.000 0.755 212 G HN 0.533 nan 8.290 nan 0.000 0.507 213 G N -1.234 107.554 108.800 -0.020 0.000 2.971 213 G HA2 0.699 4.659 3.960 -0.000 0.000 0.235 213 G HA3 0.699 4.659 3.960 -0.000 0.000 0.235 213 G C -0.553 174.331 174.900 -0.026 0.000 1.351 213 G CA 0.106 45.192 45.100 -0.023 0.000 1.039 213 G HN 0.513 nan 8.290 nan 0.000 0.563 214 E N -0.416 119.765 120.200 -0.031 0.000 2.176 214 E HA 0.550 4.900 4.350 -0.000 0.000 0.267 214 E C -0.235 176.342 176.600 -0.038 0.000 0.893 214 E CA -0.881 55.504 56.400 -0.026 0.000 0.761 214 E CB 1.606 31.294 29.700 -0.020 0.000 1.133 214 E HN 0.585 nan 8.360 nan 0.000 0.409 215 A N 3.647 126.448 122.820 -0.031 0.000 2.450 215 A HA 0.445 4.765 4.320 -0.000 0.000 0.255 215 A C -0.001 177.638 177.584 0.093 0.000 1.096 215 A CA -0.321 51.694 52.037 -0.035 0.000 0.778 215 A CB 0.237 19.122 19.000 -0.191 0.000 1.031 215 A HN 0.496 nan 8.150 nan 0.000 0.494 216 V N 0.646 120.616 119.914 0.093 0.000 3.074 216 V HA 0.716 4.836 4.120 -0.000 0.000 0.314 216 V C -0.253 176.023 176.094 0.303 0.000 1.117 216 V CA -1.543 60.822 62.300 0.108 0.000 1.014 216 V CB 1.613 33.243 31.823 -0.323 0.000 1.057 216 V HN 0.827 nan 8.190 nan 0.000 0.438 217 R N 0.946 121.642 120.500 0.325 0.000 2.438 217 R HA 0.281 4.621 4.340 -0.000 0.000 0.287 217 R C 0.497 177.035 176.300 0.396 0.000 1.077 217 R CA -0.316 55.965 56.100 0.302 0.000 1.034 217 R CB 0.251 30.633 30.300 0.137 0.000 0.993 217 R HN 0.980 nan 8.270 nan 0.000 0.459 218 F N 2.413 122.480 119.950 0.195 0.000 2.234 218 F HA -0.183 4.343 4.527 -0.000 0.000 0.299 218 F C 1.340 177.198 175.800 0.096 0.000 1.087 218 F CA 1.955 60.052 58.000 0.162 0.000 1.340 218 F CB 0.124 39.199 39.000 0.125 0.000 1.031 218 F HN 0.650 nan 8.300 nan 0.000 0.500 219 D N -1.156 119.330 120.400 0.144 0.000 2.355 219 D HA -0.099 4.541 4.640 -0.000 0.000 0.218 219 D C 1.000 177.239 176.300 -0.102 0.000 1.004 219 D CA 0.612 54.625 54.000 0.023 0.000 0.880 219 D CB -0.546 40.303 40.800 0.081 0.000 0.911 219 D HN 0.420 nan 8.370 nan 0.000 0.528 220 E N -0.176 119.930 120.200 -0.157 0.000 2.437 220 E HA 0.110 4.459 4.350 -0.000 0.000 0.195 220 E C 1.114 177.236 176.600 -0.797 0.000 1.029 220 E CA -0.312 55.865 56.400 -0.372 0.000 0.948 220 E CB 0.331 29.870 29.700 -0.268 0.000 1.082 220 E HN 0.165 nan 8.360 nan 0.000 0.456 221 L N 0.422 121.344 121.223 -0.502 0.000 2.081 221 L HA -0.231 4.109 4.340 -0.000 0.000 0.212 221 L C 1.887 178.587 176.870 -0.285 0.000 1.080 221 L CA 1.657 56.273 54.840 -0.372 0.000 0.754 221 L CB -0.288 41.563 42.059 -0.346 0.000 0.893 221 L HN 0.065 nan 8.230 nan 0.000 0.433 222 V N -0.292 119.475 119.914 -0.244 0.000 2.295 222 V HA -0.313 3.807 4.120 -0.000 0.000 0.246 222 V C 2.348 178.359 176.094 -0.139 0.000 1.049 222 V CA 2.033 64.244 62.300 -0.148 0.000 1.024 222 V CB -0.755 31.000 31.823 -0.114 0.000 0.648 222 V HN 0.560 nan 8.190 nan 0.000 0.447 223 D N -1.104 119.171 120.400 -0.208 0.000 2.144 223 D HA -0.197 4.443 4.640 -0.000 0.000 0.199 223 D C 2.064 178.345 176.300 -0.032 0.000 0.984 223 D CA 1.268 55.192 54.000 -0.127 0.000 0.834 223 D CB -0.069 40.657 40.800 -0.123 0.000 0.955 223 D HN 0.559 nan 8.370 nan 0.000 0.465 224 H N 0.119 119.171 119.070 -0.029 0.000 2.293 224 H HA -0.057 4.499 4.556 -0.000 0.000 0.300 224 H C 2.394 177.709 175.328 -0.022 0.000 1.082 224 H CA 0.894 56.929 56.048 -0.023 0.000 1.308 224 H CB -0.878 28.868 29.762 -0.027 0.000 1.375 224 H HN 0.227 nan 8.280 nan 0.000 0.495 225 L N 0.258 121.526 121.223 0.075 0.000 2.043 225 L HA -0.213 4.127 4.340 -0.000 0.000 0.212 225 L C 2.800 179.682 176.870 0.019 0.000 1.075 225 L CA 1.243 56.101 54.840 0.029 0.000 0.752 225 L CB -0.639 41.419 42.059 -0.002 0.000 0.891 225 L HN 0.257 nan 8.230 nan 0.000 0.432 226 A N 0.742 123.568 122.820 0.009 0.000 1.972 226 A HA -0.185 4.135 4.320 -0.000 0.000 0.219 226 A C 2.172 179.764 177.584 0.013 0.000 1.169 226 A CA 1.662 53.701 52.037 0.004 0.000 0.635 226 A CB -0.470 18.527 19.000 -0.005 0.000 0.810 226 A HN 0.588 nan 8.150 nan 0.000 0.446 227 R N -0.845 119.672 120.500 0.029 0.000 2.393 227 R HA 0.318 4.658 4.340 -0.000 0.000 0.244 227 R C -0.267 176.044 176.300 0.018 0.000 0.920 227 R CA 0.209 56.324 56.100 0.024 0.000 1.076 227 R CB 0.050 30.371 30.300 0.035 0.000 1.119 227 R HN 0.249 nan 8.270 nan 0.000 0.524 228 S N 0.697 116.409 115.700 0.021 0.000 2.593 228 S HA 0.255 4.725 4.470 -0.000 0.000 0.297 228 S C -0.180 174.423 174.600 0.005 0.000 1.112 228 S CA -0.886 57.321 58.200 0.012 0.000 1.043 228 S CB 1.908 65.121 63.200 0.021 0.000 1.054 228 S HN 0.160 nan 8.310 nan 0.000 0.516 229 D N 0.098 120.497 120.400 -0.000 0.000 2.455 229 D HA 0.114 4.754 4.640 -0.000 0.000 0.228 229 D C -0.022 176.279 176.300 0.001 0.000 1.070 229 D CA 0.511 54.510 54.000 -0.001 0.000 0.881 229 D CB 0.737 41.534 40.800 -0.006 0.000 1.087 229 D HN 0.278 nan 8.370 nan 0.000 0.498 230 V N 1.849 121.764 119.914 0.001 0.000 2.588 230 V HA 0.398 4.518 4.120 -0.000 0.000 0.304 230 V C -1.231 174.866 176.094 0.005 0.000 1.042 230 V CA -0.537 61.765 62.300 0.003 0.000 0.877 230 V CB 2.094 33.919 31.823 0.003 0.000 0.996 230 V HN -0.213 nan 8.190 nan 0.000 0.425 231 V N 6.926 126.844 119.914 0.007 0.000 2.448 231 V HA 0.534 4.654 4.120 -0.000 0.000 0.295 231 V C -0.348 175.752 176.094 0.010 0.000 1.025 231 V CA -0.566 61.740 62.300 0.010 0.000 0.859 231 V CB 1.870 33.699 31.823 0.011 0.000 0.988 231 V HN 0.682 nan 8.190 nan 0.000 0.431 232 V N 3.703 123.625 119.914 0.013 0.000 2.334 232 V HA 0.450 4.570 4.120 -0.000 0.000 0.281 232 V C 0.153 176.260 176.094 0.022 0.000 1.016 232 V CA -0.157 62.151 62.300 0.013 0.000 0.832 232 V CB 1.561 33.391 31.823 0.010 0.000 0.999 232 V HN 0.839 nan 8.190 nan 0.000 0.439 233 S N 3.840 119.553 115.700 0.022 0.000 2.474 233 S HA 0.764 5.234 4.470 -0.000 0.000 0.321 233 S C 0.161 174.779 174.600 0.029 0.000 1.080 233 S CA 0.114 58.334 58.200 0.033 0.000 1.106 233 S CB 1.143 64.360 63.200 0.029 0.000 0.984 233 S HN 1.032 nan 8.310 nan 0.000 0.464 234 A N 3.735 126.577 122.820 0.038 0.000 3.292 234 A HA 0.424 4.743 4.320 -0.000 0.000 0.231 234 A C 0.283 177.887 177.584 0.034 0.000 0.952 234 A CA -0.509 51.545 52.037 0.028 0.000 1.044 234 A CB -0.319 18.692 19.000 0.019 0.000 1.236 234 A HN 0.781 nan 8.150 nan 0.000 0.525 235 T N -2.311 112.272 114.554 0.048 0.000 2.913 235 T HA 0.556 4.906 4.350 -0.000 0.000 0.297 235 T C 1.281 175.993 174.700 0.020 0.000 1.029 235 T CA 0.190 62.319 62.100 0.048 0.000 1.104 235 T CB 1.687 70.608 68.868 0.088 0.000 0.964 235 T HN 0.875 nan 8.240 nan 0.000 0.532 236 A N 2.571 125.395 122.820 0.008 0.000 1.929 236 A HA 0.481 4.801 4.320 -0.000 0.000 0.216 236 A C 1.694 179.262 177.584 -0.025 0.000 1.176 236 A CA 0.700 52.732 52.037 -0.009 0.000 0.628 236 A CB -1.080 17.913 19.000 -0.012 0.000 0.816 236 A HN 1.343 nan 8.150 nan 0.000 0.444 237 A N 0.216 123.024 122.820 -0.020 0.000 2.425 237 A HA 0.459 4.779 4.320 -0.000 0.000 0.242 237 A C -1.423 176.087 177.584 -0.125 0.000 1.077 237 A CA -0.663 51.339 52.037 -0.059 0.000 0.781 237 A CB -0.107 18.908 19.000 0.025 0.000 1.020 237 A HN 0.244 nan 8.150 nan 0.000 0.494 238 P HA 0.093 nan 4.420 nan 0.000 0.255 238 P C -0.366 176.743 177.300 -0.317 0.000 1.357 238 P CA 0.554 63.477 63.100 -0.295 0.000 0.839 238 P CB -0.112 31.405 31.700 -0.306 0.000 1.356 239 H N 0.584 119.680 119.070 0.044 0.000 2.463 239 H HA 0.369 4.925 4.556 -0.000 0.000 0.332 239 H C -2.241 173.126 175.328 0.065 0.000 1.127 239 H CA -2.648 53.439 56.048 0.065 0.000 1.238 239 H CB 0.509 30.324 29.762 0.089 0.000 1.478 239 H HN -0.023 nan 8.280 nan 0.000 0.499 240 P HA -0.056 nan 4.420 nan 0.000 0.269 240 P C 0.996 178.329 177.300 0.054 0.000 1.209 240 P CA -0.060 63.050 63.100 0.017 0.000 0.776 240 P CB 1.033 32.666 31.700 -0.112 0.000 0.876 241 V N -0.338 119.579 119.914 0.005 0.000 3.572 241 V HA 0.274 4.394 4.120 -0.000 0.000 0.260 241 V C 0.551 176.650 176.094 0.010 0.000 1.324 241 V CA 0.518 62.893 62.300 0.124 0.000 1.068 241 V CB -0.035 31.918 31.823 0.218 0.000 0.837 241 V HN 0.213 nan 8.190 nan 0.000 0.450 242 I N 2.696 123.182 120.570 -0.140 0.000 2.328 242 I HA 0.537 4.707 4.170 -0.000 0.000 0.287 242 I C -0.579 175.374 176.117 -0.273 0.000 1.012 242 I CA -0.062 61.168 61.300 -0.117 0.000 1.195 242 I CB 0.100 38.060 38.000 -0.067 0.000 1.350 242 I HN 0.320 nan 8.210 nan 0.000 0.464 243 H N 3.669 122.737 119.070 -0.003 0.000 2.499 243 H HA 0.343 4.899 4.556 -0.000 0.000 0.340 243 H C 1.280 176.604 175.328 -0.006 0.000 1.148 243 H CA -0.608 55.440 56.048 -0.000 0.000 1.215 243 H CB 2.319 32.080 29.762 -0.002 0.000 1.529 243 H HN 0.253 nan 8.280 nan 0.000 0.510 244 V N 1.391 121.372 119.914 0.111 0.000 2.233 244 V HA -0.354 3.766 4.120 -0.000 0.000 0.252 244 V C 1.350 177.478 176.094 0.055 0.000 1.063 244 V CA 2.366 64.703 62.300 0.061 0.000 1.032 244 V CB -0.231 31.623 31.823 0.051 0.000 0.645 244 V HN 0.837 nan 8.190 nan 0.000 0.446 245 D N -0.298 120.140 120.400 0.064 0.000 2.149 245 D HA -0.164 4.475 4.640 -0.000 0.000 0.198 245 D C 1.901 178.212 176.300 0.017 0.000 0.990 245 D CA 1.477 55.493 54.000 0.027 0.000 0.839 245 D CB -0.451 40.353 40.800 0.006 0.000 0.948 245 D HN 0.477 nan 8.370 nan 0.000 0.460 246 D N -0.080 120.340 120.400 0.034 0.000 2.117 246 D HA -0.082 4.558 4.640 -0.000 0.000 0.198 246 D C 2.312 178.612 176.300 -0.001 0.000 0.982 246 D CA 0.359 54.363 54.000 0.007 0.000 0.828 246 D CB -0.242 40.567 40.800 0.016 0.000 0.967 246 D HN 0.081 nan 8.370 nan 0.000 0.464 247 V N 1.137 121.058 119.914 0.012 0.000 2.295 247 V HA -0.214 3.906 4.120 -0.000 0.000 0.246 247 V C 2.485 178.579 176.094 0.000 0.000 1.049 247 V CA 1.507 63.809 62.300 0.003 0.000 1.024 247 V CB -0.348 31.479 31.823 0.006 0.000 0.648 247 V HN 0.135 nan 8.190 nan 0.000 0.447 248 R N -0.170 120.332 120.500 0.003 0.000 2.073 248 R HA -0.218 4.122 4.340 -0.000 0.000 0.234 248 R C 2.410 178.707 176.300 -0.005 0.000 1.134 248 R CA 1.905 58.005 56.100 0.000 0.000 0.952 248 R CB -0.415 29.887 30.300 0.002 0.000 0.850 248 R HN 0.620 nan 8.270 nan 0.000 0.433 249 E N 0.573 120.768 120.200 -0.009 0.000 2.058 249 E HA -0.228 4.122 4.350 -0.000 0.000 0.194 249 E C 1.971 178.560 176.600 -0.019 0.000 0.997 249 E CA 1.380 57.771 56.400 -0.016 0.000 0.801 249 E CB -0.058 29.628 29.700 -0.023 0.000 0.746 249 E HN 0.375 nan 8.360 nan 0.000 0.450 250 A N 0.921 123.729 122.820 -0.020 0.000 1.908 250 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 250 A C 2.208 179.785 177.584 -0.012 0.000 1.181 250 A CA 1.307 53.332 52.037 -0.020 0.000 0.627 250 A CB -0.660 18.329 19.000 -0.019 0.000 0.818 250 A HN 0.305 nan 8.150 nan 0.000 0.445 251 L N -0.478 120.740 121.223 -0.008 0.000 2.056 251 L HA -0.199 4.141 4.340 -0.000 0.000 0.207 251 L C 2.821 179.688 176.870 -0.006 0.000 1.078 251 L CA 1.598 56.435 54.840 -0.005 0.000 0.749 251 L CB -0.635 41.422 42.059 -0.003 0.000 0.901 251 L HN 0.483 nan 8.230 nan 0.000 0.433 252 R N 0.256 120.752 120.500 -0.007 0.000 2.152 252 R HA -0.140 4.200 4.340 -0.000 0.000 0.232 252 R C 2.047 178.342 176.300 -0.008 0.000 1.117 252 R CA 0.839 56.935 56.100 -0.007 0.000 0.981 252 R CB -0.472 29.824 30.300 -0.008 0.000 0.870 252 R HN 0.336 nan 8.270 nan 0.000 0.451 253 K N 1.634 122.027 120.400 -0.011 0.000 2.097 253 K HA -0.100 4.220 4.320 -0.000 0.000 0.206 253 K C 0.959 177.554 176.600 -0.008 0.000 1.049 253 K CA 0.936 57.216 56.287 -0.012 0.000 0.933 253 K CB -0.021 32.470 32.500 -0.016 0.000 0.717 253 K HN 0.292 nan 8.250 nan 0.000 0.442 254 R N 1.159 121.655 120.500 -0.006 0.000 2.265 254 R HA 0.045 4.385 4.340 -0.000 0.000 0.314 254 R C 0.132 176.430 176.300 -0.004 0.000 1.053 254 R CA -0.112 55.986 56.100 -0.004 0.000 0.931 254 R CB 1.046 31.344 30.300 -0.003 0.000 1.024 254 R HN -0.137 nan 8.270 nan 0.000 0.457 255 D N 2.167 122.566 120.400 -0.003 0.000 2.178 255 D HA -0.149 4.491 4.640 -0.000 0.000 0.201 255 D C 0.147 176.445 176.300 -0.002 0.000 0.980 255 D CA 1.189 55.187 54.000 -0.003 0.000 0.842 255 D CB 0.357 41.156 40.800 -0.002 0.000 0.948 255 D HN 0.574 nan 8.370 nan 0.000 0.472 256 R N 0.922 121.421 120.500 -0.002 0.000 2.255 256 R HA 0.294 4.634 4.340 -0.000 0.000 0.326 256 R C -0.679 175.620 176.300 -0.001 0.000 0.986 256 R CA -0.498 55.601 56.100 -0.002 0.000 0.847 256 R CB 0.627 30.926 30.300 -0.002 0.000 1.111 256 R HN -0.095 nan 8.270 nan 0.000 0.452 257 R N 1.932 122.432 120.500 -0.001 0.000 2.442 257 R HA 0.142 4.482 4.340 -0.000 0.000 0.291 257 R C -0.415 175.885 176.300 0.000 0.000 1.069 257 R CA 0.421 56.521 56.100 -0.000 0.000 1.022 257 R CB 0.797 31.098 30.300 0.000 0.000 0.976 257 R HN 0.926 nan 8.270 nan 0.000 0.443 258 S N 2.770 118.470 115.700 -0.000 0.000 2.543 258 S HA 0.441 4.911 4.470 -0.000 0.000 0.274 258 S C -2.916 171.684 174.600 0.001 0.000 1.149 258 S CA -1.515 56.685 58.200 0.000 0.000 0.866 258 S CB 2.245 65.444 63.200 -0.001 0.000 1.111 258 S HN 0.356 nan 8.310 nan 0.000 0.457 259 P HA 0.426 nan 4.420 nan 0.000 0.271 259 P C -0.911 176.390 177.300 0.002 0.000 1.216 259 P CA -0.296 62.805 63.100 0.002 0.000 0.776 259 P CB 0.403 32.105 31.700 0.003 0.000 0.881 260 I N 2.871 123.442 120.570 0.002 0.000 2.406 260 I HA 0.267 4.437 4.170 -0.000 0.000 0.290 260 I C 0.061 176.179 176.117 0.002 0.000 0.999 260 I CA -1.130 60.172 61.300 0.002 0.000 1.124 260 I CB 1.809 39.810 38.000 0.002 0.000 1.289 260 I HN 0.190 nan 8.210 nan 0.000 0.441 261 L N 8.513 129.738 121.223 0.003 0.000 2.272 261 L HA 0.596 4.936 4.340 -0.000 0.000 0.289 261 L C -0.882 175.990 176.870 0.003 0.000 1.032 261 L CA 0.056 54.897 54.840 0.003 0.000 0.810 261 L CB 0.881 42.942 42.059 0.004 0.000 1.205 261 L HN 0.401 nan 8.230 nan 0.000 0.422 262 I N 6.636 127.207 120.570 0.001 0.000 2.362 262 I HA 0.369 4.539 4.170 -0.000 0.000 0.289 262 I C -0.565 175.552 176.117 0.001 0.000 0.994 262 I CA -0.415 60.886 61.300 0.001 0.000 1.158 262 I CB 1.542 39.540 38.000 -0.002 0.000 1.315 262 I HN 0.527 nan 8.210 nan 0.000 0.451 263 I N 5.304 125.875 120.570 0.003 0.000 2.330 263 I HA 0.170 4.340 4.170 -0.000 0.000 0.286 263 I C -0.259 175.860 176.117 0.003 0.000 1.025 263 I CA -0.338 60.963 61.300 0.003 0.000 1.197 263 I CB 1.019 39.022 38.000 0.004 0.000 1.358 263 I HN 0.481 nan 8.210 nan 0.000 0.467 264 D N 7.524 127.925 120.400 0.001 0.000 2.393 264 D HA 0.212 4.852 4.640 -0.000 0.000 0.232 264 D C 0.889 177.190 176.300 0.002 0.000 1.192 264 D CA -0.094 53.906 54.000 0.000 0.000 0.882 264 D CB 0.947 41.745 40.800 -0.005 0.000 1.038 264 D HN 0.382 nan 8.370 nan 0.000 0.499 265 I N 1.629 122.202 120.570 0.005 0.000 3.427 265 I HA 0.087 4.257 4.170 -0.000 0.000 0.288 265 I C 1.198 177.317 176.117 0.003 0.000 1.249 265 I CA 0.073 61.375 61.300 0.004 0.000 1.421 265 I CB -0.611 37.393 38.000 0.006 0.000 1.086 265 I HN 0.258 nan 8.210 nan 0.000 0.448 266 A N 1.975 124.797 122.820 0.004 0.000 2.322 266 A HA 0.386 4.706 4.320 -0.000 0.000 0.269 266 A C 0.173 177.755 177.584 -0.004 0.000 1.094 266 A CA -0.202 51.836 52.037 0.002 0.000 0.807 266 A CB 0.558 19.562 19.000 0.006 0.000 1.047 266 A HN 0.383 nan 8.150 nan 0.000 0.487 267 N N 1.659 120.355 118.700 -0.007 0.000 2.519 267 N HA 0.391 5.131 4.740 -0.000 0.000 0.291 267 N C -2.991 172.509 175.510 -0.017 0.000 1.107 267 N CA -0.948 52.096 53.050 -0.010 0.000 0.904 267 N CB 1.617 40.099 38.487 -0.008 0.000 1.500 267 N HN 0.452 nan 8.380 nan 0.000 0.510 268 P HA 0.240 nan 4.420 nan 0.000 0.271 268 P C -0.216 177.077 177.300 -0.012 0.000 1.244 268 P CA -0.264 62.826 63.100 -0.017 0.000 0.793 268 P CB 0.651 32.338 31.700 -0.022 0.000 0.984 269 R N 1.321 121.815 120.500 -0.010 0.000 2.640 269 R HA 0.006 4.346 4.340 -0.000 0.000 0.270 269 R C 0.341 176.634 176.300 -0.012 0.000 1.024 269 R CA 0.088 56.182 56.100 -0.010 0.000 1.085 269 R CB -0.027 30.265 30.300 -0.013 0.000 0.963 269 R HN 0.470 nan 8.270 nan 0.000 0.426 270 D N 0.709 121.102 120.400 -0.010 0.000 2.289 270 D HA 0.011 4.651 4.640 -0.000 0.000 0.207 270 D C 0.125 176.393 176.300 -0.053 0.000 0.966 270 D CA 0.739 54.734 54.000 -0.009 0.000 0.868 270 D CB 0.449 41.256 40.800 0.012 0.000 0.943 270 D HN 0.137 nan 8.370 nan 0.000 0.514 271 V N 1.520 121.402 119.914 -0.053 0.000 2.394 271 V HA 0.132 4.252 4.120 -0.000 0.000 0.282 271 V C 0.367 176.409 176.094 -0.087 0.000 1.031 271 V CA -0.990 61.264 62.300 -0.077 0.000 0.881 271 V CB 1.625 33.422 31.823 -0.043 0.000 0.982 271 V HN -0.009 nan 8.190 nan 0.000 0.451 272 E N 3.061 123.177 120.200 -0.139 0.000 2.414 272 E HA 0.042 4.392 4.350 -0.000 0.000 0.263 272 E C -0.168 176.409 176.600 -0.039 0.000 1.000 272 E CA -0.477 55.864 56.400 -0.098 0.000 0.914 272 E CB 0.618 30.252 29.700 -0.110 0.000 0.948 272 E HN 0.643 nan 8.360 nan 0.000 0.444 273 E N 1.941 122.132 120.200 -0.016 0.000 2.452 273 E HA 0.160 4.510 4.350 -0.000 0.000 0.261 273 E C 0.716 177.317 176.600 0.002 0.000 0.987 273 E CA 1.584 57.982 56.400 -0.005 0.000 0.926 273 E CB 0.837 30.539 29.700 0.003 0.000 0.934 273 E HN 0.761 nan 8.360 nan 0.000 0.452 274 G N 1.592 110.392 108.800 0.001 0.000 2.232 274 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.226 274 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.226 274 G C 1.138 176.040 174.900 0.003 0.000 0.996 274 G CA 0.131 45.234 45.100 0.005 0.000 0.626 274 G HN 0.423 nan 8.290 nan 0.000 0.509 275 V N 2.866 122.779 119.914 -0.002 0.000 2.407 275 V HA -0.158 3.961 4.120 -0.000 0.000 0.248 275 V C 2.863 178.956 176.094 -0.002 0.000 1.055 275 V CA 2.747 65.045 62.300 -0.003 0.000 1.049 275 V CB -0.211 31.604 31.823 -0.014 0.000 0.662 275 V HN 0.784 nan 8.190 nan 0.000 0.455 276 E N 0.510 120.708 120.200 -0.003 0.000 2.265 276 E HA -0.243 4.107 4.350 -0.000 0.000 0.196 276 E C 1.231 177.831 176.600 0.000 0.000 0.996 276 E CA 1.445 57.844 56.400 -0.002 0.000 0.832 276 E CB -0.574 29.124 29.700 -0.002 0.000 0.756 276 E HN 0.617 nan 8.360 nan 0.000 0.491 277 N N 0.716 119.417 118.700 0.001 0.000 2.336 277 N HA 0.164 4.904 4.740 -0.000 0.000 0.189 277 N C 0.429 175.940 175.510 0.003 0.000 1.113 277 N CA 0.051 53.102 53.050 0.002 0.000 0.858 277 N CB 0.366 38.855 38.487 0.003 0.000 0.970 277 N HN 0.255 nan 8.380 nan 0.000 0.471 278 I N 1.879 122.450 120.570 0.003 0.000 2.638 278 I HA -0.041 4.129 4.170 -0.000 0.000 0.286 278 I C 0.419 176.537 176.117 0.002 0.000 1.088 278 I CA -0.666 60.636 61.300 0.003 0.000 1.397 278 I CB 0.558 38.560 38.000 0.003 0.000 1.414 278 I HN 0.045 nan 8.210 nan 0.000 0.566 279 E N 4.122 124.323 120.200 0.002 0.000 2.392 279 E HA 0.114 4.464 4.350 -0.000 0.000 0.264 279 E C -0.353 176.248 176.600 0.001 0.000 1.024 279 E CA -0.302 56.099 56.400 0.001 0.000 0.903 279 E CB 0.261 29.962 29.700 0.001 0.000 0.963 279 E HN 0.564 nan 8.360 nan 0.000 0.432 280 D N -0.277 120.124 120.400 0.001 0.000 2.946 280 D HA -0.141 4.499 4.640 -0.000 0.000 0.202 280 D C -0.808 175.493 176.300 0.001 0.000 1.068 280 D CA 1.112 55.113 54.000 0.001 0.000 1.011 280 D CB -1.375 39.426 40.800 0.001 0.000 1.105 280 D HN 0.293 nan 8.370 nan 0.000 0.425 281 V N 0.858 120.773 119.914 0.001 0.000 2.459 281 V HA 0.431 4.551 4.120 -0.000 0.000 0.295 281 V C 0.280 176.375 176.094 0.001 0.000 1.029 281 V CA -0.556 61.744 62.300 0.001 0.000 0.874 281 V CB 2.388 34.212 31.823 0.000 0.000 0.985 281 V HN -0.110 nan 8.190 nan 0.000 0.438 282 E N 3.252 123.452 120.200 0.001 0.000 2.187 282 E HA 0.584 4.934 4.350 -0.000 0.000 0.268 282 E C -1.245 175.355 176.600 -0.000 0.000 0.896 282 E CA -0.499 55.901 56.400 0.000 0.000 0.766 282 E CB 2.537 32.238 29.700 0.001 0.000 1.142 282 E HN 0.381 nan 8.360 nan 0.000 0.408 283 V N 4.169 124.082 119.914 -0.001 0.000 2.448 283 V HA 0.519 4.639 4.120 -0.000 0.000 0.295 283 V C 0.029 176.121 176.094 -0.002 0.000 1.025 283 V CA -0.819 61.480 62.300 -0.003 0.000 0.859 283 V CB 1.604 33.424 31.823 -0.005 0.000 0.988 283 V HN 0.440 nan 8.190 nan 0.000 0.431 284 R N 1.958 122.457 120.500 -0.001 0.000 2.867 284 R HA 0.781 5.121 4.340 -0.000 0.000 0.268 284 R C -0.217 176.083 176.300 -0.001 0.000 1.014 284 R CA -0.602 55.498 56.100 -0.001 0.000 0.946 284 R CB 2.305 32.605 30.300 0.001 0.000 1.208 284 R HN 0.857 nan 8.270 nan 0.000 0.477 285 T N -2.876 111.677 114.554 -0.001 0.000 2.927 285 T HA 0.291 4.641 4.350 -0.000 0.000 0.286 285 T C 1.214 175.914 174.700 0.000 0.000 1.040 285 T CA -0.750 61.350 62.100 -0.001 0.000 1.010 285 T CB 1.019 69.886 68.868 -0.001 0.000 1.177 285 T HN 0.394 nan 8.240 nan 0.000 0.546 286 I N 0.902 121.472 120.570 0.000 0.000 2.264 286 I HA -0.133 4.037 4.170 -0.000 0.000 0.248 286 I C 1.646 177.763 176.117 0.000 0.000 1.111 286 I CA 1.792 63.092 61.300 0.000 0.000 1.382 286 I CB -0.690 37.311 38.000 0.000 0.000 1.060 286 I HN 0.654 nan 8.210 nan 0.000 0.418 287 D N 0.744 121.144 120.400 -0.000 0.000 2.097 287 D HA -0.192 4.448 4.640 -0.000 0.000 0.195 287 D C 1.767 178.067 176.300 0.000 0.000 0.989 287 D CA 1.611 55.612 54.000 0.000 0.000 0.827 287 D CB -0.471 40.330 40.800 0.000 0.000 0.966 287 D HN 0.415 nan 8.370 nan 0.000 0.456 288 D N 0.749 121.149 120.400 0.000 0.000 2.123 288 D HA -0.124 4.516 4.640 -0.000 0.000 0.196 288 D C 2.420 178.720 176.300 0.001 0.000 0.992 288 D CA 0.461 54.461 54.000 0.001 0.000 0.833 288 D CB -0.440 40.361 40.800 0.001 0.000 0.954 288 D HN 0.266 nan 8.370 nan 0.000 0.455 289 L N 0.251 121.474 121.223 0.001 0.000 2.046 289 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 289 L C 2.609 179.480 176.870 0.001 0.000 1.077 289 L CA 1.123 55.963 54.840 0.001 0.000 0.747 289 L CB -0.363 41.696 42.059 0.001 0.000 0.896 289 L HN -0.048 nan 8.230 nan 0.000 0.432 290 R N -0.405 120.096 120.500 0.001 0.000 2.096 290 R HA -0.114 4.226 4.340 -0.000 0.000 0.235 290 R C 2.309 178.610 176.300 0.001 0.000 1.127 290 R CA 1.110 57.210 56.100 0.001 0.000 0.968 290 R CB -0.493 29.807 30.300 0.001 0.000 0.861 290 R HN 0.162 nan 8.270 nan 0.000 0.440 291 V N 1.441 121.356 119.914 0.001 0.000 2.287 291 V HA -0.273 3.847 4.120 -0.000 0.000 0.248 291 V C 2.241 178.336 176.094 0.001 0.000 1.053 291 V CA 1.840 64.140 62.300 0.001 0.000 1.027 291 V CB -0.372 31.451 31.823 0.001 0.000 0.646 291 V HN 0.276 nan 8.190 nan 0.000 0.447 292 I N 0.263 120.834 120.570 0.001 0.000 2.127 292 I HA -0.278 3.892 4.170 -0.000 0.000 0.241 292 I C 2.675 178.792 176.117 0.000 0.000 1.075 292 I CA 1.639 62.939 61.300 0.001 0.000 1.334 292 I CB -0.621 37.379 38.000 0.001 0.000 1.040 292 I HN 0.299 nan 8.210 nan 0.000 0.405 293 A N 0.581 123.401 122.820 0.000 0.000 1.908 293 A HA -0.284 4.036 4.320 -0.000 0.000 0.218 293 A C 2.322 179.906 177.584 0.001 0.000 1.181 293 A CA 2.134 54.171 52.037 0.000 0.000 0.627 293 A CB -0.565 18.435 19.000 -0.000 0.000 0.818 293 A HN 0.306 nan 8.150 nan 0.000 0.445 294 R N 0.261 120.762 120.500 0.001 0.000 2.075 294 R HA -0.114 4.226 4.340 -0.000 0.000 0.232 294 R C 2.074 178.375 176.300 0.002 0.000 1.126 294 R CA 2.036 58.137 56.100 0.002 0.000 0.963 294 R CB -0.584 29.717 30.300 0.003 0.000 0.858 294 R HN 0.716 nan 8.270 nan 0.000 0.435 295 E N -0.345 119.856 120.200 0.001 0.000 2.072 295 E HA -0.184 4.166 4.350 -0.000 0.000 0.191 295 E C 1.192 177.793 176.600 0.001 0.000 0.985 295 E CA 1.323 57.724 56.400 0.001 0.000 0.801 295 E CB -0.101 29.600 29.700 0.001 0.000 0.750 295 E HN 0.326 nan 8.360 nan 0.000 0.452 296 N N 0.698 119.398 118.700 0.000 0.000 2.188 296 N HA -0.138 4.602 4.740 -0.000 0.000 0.184 296 N C 1.853 177.363 175.510 0.000 0.000 1.018 296 N CA 0.703 53.753 53.050 -0.000 0.000 0.858 296 N CB -0.316 38.171 38.487 -0.001 0.000 0.989 296 N HN 0.215 nan 8.380 nan 0.000 0.426 297 L N 1.881 123.105 121.223 0.001 0.000 2.027 297 L HA -0.081 4.259 4.340 -0.000 0.000 0.206 297 L C 1.808 178.680 176.870 0.004 0.000 1.074 297 L CA 1.704 56.545 54.840 0.003 0.000 0.745 297 L CB -0.623 41.439 42.059 0.004 0.000 0.898 297 L HN 0.095 nan 8.230 nan 0.000 0.433 298 E N -0.622 119.580 120.200 0.003 0.000 2.118 298 E HA -0.295 4.055 4.350 -0.000 0.000 0.195 298 E C 2.314 178.915 176.600 0.002 0.000 0.992 298 E CA 1.469 57.871 56.400 0.003 0.000 0.804 298 E CB -0.213 29.489 29.700 0.003 0.000 0.741 298 E HN 0.448 nan 8.360 nan 0.000 0.458 299 R N 0.955 121.456 120.500 0.001 0.000 2.066 299 R HA -0.070 4.270 4.340 -0.000 0.000 0.232 299 R C 2.289 178.588 176.300 -0.001 0.000 1.131 299 R CA 1.129 57.228 56.100 -0.001 0.000 0.955 299 R CB 0.067 30.366 30.300 -0.002 0.000 0.851 299 R HN 0.012 nan 8.270 nan 0.000 0.432 300 R N -0.006 120.493 120.500 -0.001 0.000 2.091 300 R HA -0.135 4.205 4.340 -0.000 0.000 0.238 300 R C 2.406 178.705 176.300 -0.000 0.000 1.136 300 R CA 1.853 57.952 56.100 -0.002 0.000 0.959 300 R CB -0.277 30.023 30.300 -0.001 0.000 0.856 300 R HN 0.247 nan 8.270 nan 0.000 0.437 301 R N 0.772 121.274 120.500 0.002 0.000 2.127 301 R HA -0.138 4.202 4.340 -0.000 0.000 0.238 301 R C 1.938 178.238 176.300 0.001 0.000 1.134 301 R CA 1.409 57.511 56.100 0.004 0.000 0.975 301 R CB -0.092 30.211 30.300 0.006 0.000 0.865 301 R HN 0.188 nan 8.270 nan 0.000 0.447 302 K N 0.270 120.670 120.400 -0.001 0.000 2.439 302 K HA -0.072 4.248 4.320 -0.000 0.000 0.197 302 K C 1.219 177.816 176.600 -0.004 0.000 1.041 302 K CA 0.617 56.902 56.287 -0.002 0.000 0.970 302 K CB 0.241 32.739 32.500 -0.002 0.000 0.773 302 K HN 0.132 nan 8.250 nan 0.000 0.479 303 E N 0.575 120.772 120.200 -0.005 0.000 2.478 303 E HA 0.012 4.362 4.350 -0.000 0.000 0.194 303 E C 1.665 178.260 176.600 -0.008 0.000 1.045 303 E CA 0.246 56.641 56.400 -0.007 0.000 0.868 303 E CB 0.105 29.799 29.700 -0.009 0.000 0.885 303 E HN 0.360 nan 8.360 nan 0.000 0.505 304 I N 1.671 122.238 120.570 -0.005 0.000 2.151 304 I HA -0.246 3.924 4.170 -0.000 0.000 0.243 304 I C -0.675 175.438 176.117 -0.006 0.000 1.080 304 I CA 1.434 62.731 61.300 -0.005 0.000 1.339 304 I CB -1.325 36.674 38.000 -0.001 0.000 1.039 304 I HN 0.067 nan 8.210 nan 0.000 0.409 305 P HA -0.170 nan 4.420 nan 0.000 0.216 305 P C 1.208 178.504 177.300 -0.008 0.000 1.150 305 P CA 1.515 64.612 63.100 -0.006 0.000 0.837 305 P CB -0.076 31.621 31.700 -0.006 0.000 0.786 306 K N -0.599 119.796 120.400 -0.009 0.000 2.097 306 K HA -0.065 4.255 4.320 -0.000 0.000 0.206 306 K C 1.949 178.540 176.600 -0.015 0.000 1.049 306 K CA 1.212 57.492 56.287 -0.012 0.000 0.933 306 K CB -0.950 31.542 32.500 -0.013 0.000 0.717 306 K HN 0.032 nan 8.250 nan 0.000 0.442 307 V N 2.081 121.986 119.914 -0.015 0.000 2.358 307 V HA -0.212 3.908 4.120 -0.000 0.000 0.246 307 V C 1.971 178.058 176.094 -0.012 0.000 1.047 307 V CA 1.739 64.027 62.300 -0.020 0.000 1.035 307 V CB -0.471 31.340 31.823 -0.020 0.000 0.658 307 V HN 0.317 nan 8.190 nan 0.000 0.452 308 E N 0.106 120.302 120.200 -0.005 0.000 2.160 308 E HA -0.277 4.073 4.350 -0.000 0.000 0.195 308 E C 2.239 178.842 176.600 0.005 0.000 0.991 308 E CA 1.357 57.759 56.400 0.003 0.000 0.810 308 E CB -0.150 29.550 29.700 0.000 0.000 0.742 308 E HN 0.574 nan 8.360 nan 0.000 0.466 309 K N 1.201 121.599 120.400 -0.002 0.000 2.057 309 K HA -0.119 4.201 4.320 -0.000 0.000 0.206 309 K C 2.146 178.745 176.600 -0.002 0.000 1.050 309 K CA 0.723 57.009 56.287 -0.002 0.000 0.935 309 K CB -0.024 32.472 32.500 -0.006 0.000 0.715 309 K HN 0.081 nan 8.250 nan 0.000 0.439 310 L N 1.044 122.260 121.223 -0.013 0.000 2.043 310 L HA -0.236 4.104 4.340 -0.000 0.000 0.212 310 L C 2.515 179.377 176.870 -0.014 0.000 1.075 310 L CA 1.378 56.202 54.840 -0.026 0.000 0.752 310 L CB -0.459 41.572 42.059 -0.047 0.000 0.891 310 L HN 0.278 nan 8.230 nan 0.000 0.432 311 I N -0.508 120.069 120.570 0.011 0.000 2.163 311 I HA -0.272 3.898 4.170 -0.000 0.000 0.243 311 I C 2.612 178.806 176.117 0.128 0.000 1.085 311 I CA 1.153 62.505 61.300 0.086 0.000 1.347 311 I CB -0.287 37.774 38.000 0.101 0.000 1.044 311 I HN 0.267 nan 8.210 nan 0.000 0.408 312 E N 0.762 121.002 120.200 0.067 0.000 2.153 312 E HA -0.224 4.126 4.350 -0.000 0.000 0.194 312 E C 2.007 178.637 176.600 0.050 0.000 0.988 312 E CA 1.204 57.634 56.400 0.050 0.000 0.811 312 E CB -0.252 29.461 29.700 0.022 0.000 0.746 312 E HN 0.597 nan 8.360 nan 0.000 0.466 313 E N 0.572 120.793 120.200 0.036 0.000 2.047 313 E HA -0.185 4.165 4.350 -0.000 0.000 0.191 313 E C 2.044 178.670 176.600 0.043 0.000 0.987 313 E CA 0.984 57.398 56.400 0.024 0.000 0.799 313 E CB -0.056 29.645 29.700 0.003 0.000 0.752 313 E HN 0.066 nan 8.360 nan 0.000 0.449 314 E N 1.046 121.279 120.200 0.055 0.000 2.153 314 E HA -0.125 4.225 4.350 -0.000 0.000 0.194 314 E C 1.919 178.674 176.600 0.258 0.000 0.988 314 E CA 0.648 57.099 56.400 0.085 0.000 0.811 314 E CB -0.104 29.552 29.700 -0.073 0.000 0.746 314 E HN 0.178 nan 8.360 nan 0.000 0.466 315 L N -0.144 121.243 121.223 0.273 0.000 2.046 315 L HA -0.205 4.135 4.340 -0.000 0.000 0.208 315 L C 2.343 179.258 176.870 0.075 0.000 1.077 315 L CA 1.467 56.401 54.840 0.156 0.000 0.747 315 L CB -0.354 41.732 42.059 0.044 0.000 0.896 315 L HN 0.128 nan 8.230 nan 0.000 0.432 316 S N -1.019 114.716 115.700 0.057 0.000 2.368 316 S HA -0.180 4.290 4.470 -0.000 0.000 0.225 316 S C 1.935 176.557 174.600 0.037 0.000 1.030 316 S CA 1.798 60.017 58.200 0.032 0.000 0.999 316 S CB -0.438 62.775 63.200 0.021 0.000 0.844 316 S HN 0.453 nan 8.310 nan 0.000 0.459 317 T N 1.874 116.458 114.554 0.050 0.000 2.674 317 T HA -0.054 4.296 4.350 -0.000 0.000 0.265 317 T C 1.918 176.650 174.700 0.053 0.000 1.039 317 T CA 1.255 63.380 62.100 0.042 0.000 1.150 317 T CB -0.638 68.250 68.868 0.032 0.000 0.864 317 T HN 0.208 nan 8.240 nan 0.000 0.427 318 V N 1.316 121.285 119.914 0.091 0.000 2.490 318 V HA -0.169 3.951 4.120 -0.000 0.000 0.250 318 V C 2.489 178.610 176.094 0.045 0.000 1.061 318 V CA 2.143 64.496 62.300 0.089 0.000 1.064 318 V CB -0.416 31.508 31.823 0.169 0.000 0.670 318 V HN 0.547 nan 8.190 nan 0.000 0.461 319 E N -0.149 120.069 120.200 0.029 0.000 2.038 319 E HA -0.301 4.049 4.350 -0.000 0.000 0.195 319 E C 2.084 178.692 176.600 0.013 0.000 1.000 319 E CA 2.004 58.410 56.400 0.009 0.000 0.803 319 E CB -0.192 29.508 29.700 -0.000 0.000 0.750 319 E HN 0.781 nan 8.360 nan 0.000 0.448 320 E N 0.412 120.621 120.200 0.016 0.000 2.130 320 E HA -0.229 4.121 4.350 -0.000 0.000 0.196 320 E C 2.086 178.697 176.600 0.018 0.000 0.998 320 E CA 1.515 57.924 56.400 0.014 0.000 0.806 320 E CB -0.055 29.653 29.700 0.014 0.000 0.738 320 E HN 0.359 nan 8.360 nan 0.000 0.459 321 E N 0.489 120.704 120.200 0.025 0.000 2.051 321 E HA -0.181 4.169 4.350 -0.000 0.000 0.192 321 E C 2.151 178.768 176.600 0.029 0.000 0.991 321 E CA 0.882 57.300 56.400 0.029 0.000 0.799 321 E CB -0.088 29.634 29.700 0.038 0.000 0.748 321 E HN 0.228 nan 8.360 nan 0.000 0.449 322 L N 0.683 121.923 121.223 0.029 0.000 2.083 322 L HA -0.202 4.138 4.340 -0.000 0.000 0.209 322 L C 2.501 179.384 176.870 0.021 0.000 1.083 322 L CA 0.964 55.820 54.840 0.028 0.000 0.752 322 L CB -0.212 41.862 42.059 0.024 0.000 0.899 322 L HN 0.096 nan 8.230 nan 0.000 0.433 323 E N 0.636 120.845 120.200 0.016 0.000 2.051 323 E HA -0.214 4.136 4.350 -0.000 0.000 0.192 323 E C 2.127 178.736 176.600 0.014 0.000 0.991 323 E CA 1.391 57.798 56.400 0.012 0.000 0.799 323 E CB 0.056 29.761 29.700 0.007 0.000 0.748 323 E HN 0.241 nan 8.360 nan 0.000 0.449 324 K N 0.092 120.502 120.400 0.016 0.000 2.103 324 K HA -0.145 4.175 4.320 -0.000 0.000 0.207 324 K C 2.230 178.842 176.600 0.019 0.000 1.048 324 K CA 1.146 57.442 56.287 0.016 0.000 0.930 324 K CB -0.277 32.233 32.500 0.017 0.000 0.716 324 K HN 0.218 nan 8.250 nan 0.000 0.444 325 L N 1.436 122.673 121.223 0.023 0.000 2.017 325 L HA -0.253 4.087 4.340 -0.000 0.000 0.208 325 L C 2.076 178.960 176.870 0.024 0.000 1.073 325 L CA 1.717 56.573 54.840 0.026 0.000 0.745 325 L CB -0.145 41.934 42.059 0.032 0.000 0.894 325 L HN 0.171 nan 8.230 nan 0.000 0.432 326 K N -0.347 120.066 120.400 0.022 0.000 2.097 326 K HA -0.191 4.129 4.320 -0.000 0.000 0.205 326 K C 1.863 178.475 176.600 0.019 0.000 1.050 326 K CA 1.473 57.773 56.287 0.021 0.000 0.938 326 K CB -0.076 32.436 32.500 0.019 0.000 0.718 326 K HN 0.439 nan 8.250 nan 0.000 0.442 327 E N 0.411 120.621 120.200 0.016 0.000 2.085 327 E HA -0.187 4.163 4.350 -0.000 0.000 0.194 327 E C 2.193 178.803 176.600 0.015 0.000 0.994 327 E CA 0.830 57.239 56.400 0.014 0.000 0.801 327 E CB 0.046 29.753 29.700 0.012 0.000 0.743 327 E HN 0.138 nan 8.360 nan 0.000 0.453 328 R N 0.939 121.449 120.500 0.017 0.000 2.075 328 R HA -0.052 4.288 4.340 -0.000 0.000 0.232 328 R C 2.137 178.448 176.300 0.019 0.000 1.126 328 R CA 1.195 57.306 56.100 0.018 0.000 0.963 328 R CB -0.027 30.284 30.300 0.019 0.000 0.858 328 R HN 0.060 nan 8.270 nan 0.000 0.435 329 R N 0.079 120.592 120.500 0.020 0.000 2.115 329 R HA -0.084 4.256 4.340 -0.000 0.000 0.226 329 R C 2.209 178.520 176.300 0.020 0.000 1.100 329 R CA 0.710 56.823 56.100 0.021 0.000 0.980 329 R CB -0.278 30.036 30.300 0.023 0.000 0.875 329 R HN 0.089 nan 8.270 nan 0.000 0.445 330 L N 0.262 121.496 121.223 0.018 0.000 2.056 330 L HA -0.102 4.238 4.340 -0.000 0.000 0.207 330 L C 2.071 178.948 176.870 0.012 0.000 1.078 330 L CA 1.459 56.309 54.840 0.017 0.000 0.749 330 L CB -0.507 41.562 42.059 0.017 0.000 0.901 330 L HN -0.008 nan 8.230 nan 0.000 0.433 331 V N -0.342 119.579 119.914 0.012 0.000 2.407 331 V HA -0.224 3.896 4.120 -0.000 0.000 0.248 331 V C 2.569 178.672 176.094 0.016 0.000 1.055 331 V CA 1.749 64.054 62.300 0.010 0.000 1.049 331 V CB -0.439 31.390 31.823 0.011 0.000 0.662 331 V HN 0.570 nan 8.190 nan 0.000 0.455 332 A N -0.481 122.352 122.820 0.021 0.000 1.930 332 A HA -0.219 4.101 4.320 -0.000 0.000 0.217 332 A C 2.020 179.621 177.584 0.029 0.000 1.175 332 A CA 1.972 54.025 52.037 0.028 0.000 0.627 332 A CB -0.745 18.270 19.000 0.024 0.000 0.815 332 A HN 0.678 nan 8.150 nan 0.000 0.443 333 D N -0.106 120.306 120.400 0.020 0.000 2.077 333 D HA -0.128 4.512 4.640 -0.000 0.000 0.197 333 D C 1.956 178.262 176.300 0.010 0.000 0.983 333 D CA 1.821 55.831 54.000 0.017 0.000 0.841 333 D CB -0.507 40.301 40.800 0.014 0.000 0.992 333 D HN 0.088 nan 8.370 nan 0.000 0.450 334 V N 1.230 121.143 119.914 -0.000 0.000 2.277 334 V HA -0.356 3.764 4.120 -0.000 0.000 0.255 334 V C 2.636 178.709 176.094 -0.036 0.000 1.074 334 V CA 2.476 64.763 62.300 -0.021 0.000 1.058 334 V CB -1.163 30.644 31.823 -0.025 0.000 0.656 334 V HN 0.403 nan 8.190 nan 0.000 0.449 335 A N -0.202 122.611 122.820 -0.013 0.000 1.930 335 A HA -0.239 4.081 4.320 -0.000 0.000 0.217 335 A C 2.219 179.855 177.584 0.086 0.000 1.175 335 A CA 2.136 54.171 52.037 -0.003 0.000 0.627 335 A CB -0.452 18.598 19.000 0.083 0.000 0.815 335 A HN 0.572 nan 8.150 nan 0.000 0.443 336 K N 0.073 120.521 120.400 0.080 0.000 2.148 336 K HA -0.003 4.317 4.320 -0.000 0.000 0.204 336 K C 2.024 178.651 176.600 0.045 0.000 1.050 336 K CA 1.852 58.190 56.287 0.084 0.000 0.942 336 K CB -0.404 32.126 32.500 0.049 0.000 0.724 336 K HN 0.283 nan 8.250 nan 0.000 0.446 337 S N 0.483 116.188 115.700 0.008 0.000 2.355 337 S HA -0.010 4.460 4.470 -0.000 0.000 0.222 337 S C 1.540 176.117 174.600 -0.038 0.000 1.031 337 S CA 1.077 59.269 58.200 -0.013 0.000 0.993 337 S CB -0.206 62.980 63.200 -0.023 0.000 0.859 337 S HN 0.236 nan 8.310 nan 0.000 0.453 338 L N 0.557 121.727 121.223 -0.089 0.000 2.156 338 L HA -0.035 4.305 4.340 -0.000 0.000 0.208 338 L C 1.982 178.754 176.870 -0.163 0.000 1.095 338 L CA 1.666 56.408 54.840 -0.162 0.000 0.770 338 L CB -1.157 40.751 42.059 -0.251 0.000 0.914 338 L HN 0.440 nan 8.230 nan 0.000 0.439 339 H N -1.056 117.987 119.070 -0.045 0.000 2.462 339 H HA -0.095 4.461 4.556 -0.000 0.000 0.292 339 H C 2.128 177.440 175.328 -0.027 0.000 1.049 339 H CA 0.659 56.685 56.048 -0.037 0.000 1.334 339 H CB 0.471 30.216 29.762 -0.028 0.000 1.404 339 H HN 0.136 nan 8.280 nan 0.000 0.544 340 E N 0.842 121.089 120.200 0.079 0.000 2.106 340 E HA -0.115 4.235 4.350 -0.000 0.000 0.192 340 E C 2.098 178.710 176.600 0.020 0.000 0.984 340 E CA 0.724 57.149 56.400 0.041 0.000 0.806 340 E CB 0.021 29.736 29.700 0.025 0.000 0.750 340 E HN 0.529 nan 8.360 nan 0.000 0.458 341 I N 0.698 121.266 120.570 -0.002 0.000 2.252 341 I HA -0.230 3.940 4.170 -0.000 0.000 0.245 341 I C 2.689 178.801 176.117 -0.008 0.000 1.102 341 I CA 0.900 62.191 61.300 -0.015 0.000 1.385 341 I CB -0.283 37.691 38.000 -0.044 0.000 1.064 341 I HN 0.026 nan 8.210 nan 0.000 0.414 342 K N 1.088 121.482 120.400 -0.010 0.000 2.032 342 K HA -0.228 4.092 4.320 -0.000 0.000 0.209 342 K C 1.665 178.289 176.600 0.039 0.000 1.048 342 K CA 1.978 58.271 56.287 0.011 0.000 0.927 342 K CB -0.084 32.436 32.500 0.033 0.000 0.712 342 K HN 0.241 nan 8.250 nan 0.000 0.441 343 D N 0.377 120.806 120.400 0.048 0.000 2.077 343 D HA -0.145 4.495 4.640 -0.000 0.000 0.193 343 D C 2.138 178.456 176.300 0.029 0.000 0.989 343 D CA 1.101 55.124 54.000 0.039 0.000 0.831 343 D CB -0.276 40.545 40.800 0.035 0.000 0.979 343 D HN 0.214 nan 8.370 nan 0.000 0.449 344 R N 0.563 121.077 120.500 0.023 0.000 2.133 344 R HA -0.168 4.172 4.340 -0.000 0.000 0.245 344 R C 2.144 178.457 176.300 0.022 0.000 1.137 344 R CA 1.203 57.314 56.100 0.018 0.000 0.947 344 R CB -0.182 30.126 30.300 0.013 0.000 0.865 344 R HN 0.203 nan 8.270 nan 0.000 0.437 345 E N 0.418 120.633 120.200 0.025 0.000 2.204 345 E HA -0.121 4.229 4.350 -0.000 0.000 0.194 345 E C 2.407 179.032 176.600 0.042 0.000 0.989 345 E CA 1.151 57.571 56.400 0.032 0.000 0.824 345 E CB -0.221 29.500 29.700 0.035 0.000 0.756 345 E HN 0.341 nan 8.360 nan 0.000 0.477 346 L N 1.675 122.924 121.223 0.043 0.000 1.970 346 L HA -0.223 4.117 4.340 -0.000 0.000 0.212 346 L C 2.371 179.263 176.870 0.038 0.000 1.071 346 L CA 2.455 57.324 54.840 0.048 0.000 0.751 346 L CB -1.557 40.529 42.059 0.046 0.000 0.889 346 L HN 0.073 nan 8.230 nan 0.000 0.432 347 E N 0.365 120.583 120.200 0.030 0.000 2.132 347 E HA -0.350 4.000 4.350 -0.000 0.000 0.218 347 E C 2.145 178.759 176.600 0.025 0.000 1.058 347 E CA 2.328 58.742 56.400 0.024 0.000 0.882 347 E CB -0.496 29.215 29.700 0.019 0.000 0.774 347 E HN 0.851 nan 8.360 nan 0.000 0.467 348 R N 0.738 121.254 120.500 0.026 0.000 2.075 348 R HA 0.059 4.399 4.340 -0.000 0.000 0.232 348 R C 2.456 178.771 176.300 0.025 0.000 1.126 348 R CA 1.148 57.262 56.100 0.023 0.000 0.963 348 R CB -0.530 29.784 30.300 0.023 0.000 0.858 348 R HN 0.145 nan 8.270 nan 0.000 0.435 349 A N 2.439 125.278 122.820 0.032 0.000 2.131 349 A HA -0.141 4.179 4.320 -0.000 0.000 0.220 349 A C 2.184 179.783 177.584 0.025 0.000 1.158 349 A CA 1.374 53.430 52.037 0.031 0.000 0.665 349 A CB -0.521 18.505 19.000 0.042 0.000 0.795 349 A HN 0.329 nan 8.150 nan 0.000 0.460 350 L N -1.053 120.185 121.223 0.025 0.000 1.994 350 L HA -0.046 4.294 4.340 -0.000 0.000 0.208 350 L C 1.011 177.890 176.870 0.015 0.000 1.071 350 L CA 1.073 55.926 54.840 0.020 0.000 0.745 350 L CB -1.344 40.727 42.059 0.021 0.000 0.892 350 L HN 0.224 nan 8.230 nan 0.000 0.431 351 R N 2.556 123.064 120.500 0.014 0.000 2.586 351 R HA 0.060 4.400 4.340 -0.000 0.000 0.346 351 R C 0.249 176.555 176.300 0.010 0.000 1.044 351 R CA 0.197 56.304 56.100 0.011 0.000 1.004 351 R CB -0.315 29.992 30.300 0.011 0.000 0.968 351 R HN 0.510 nan 8.270 nan 0.000 0.438 352 R N 1.265 121.770 120.500 0.008 0.000 2.523 352 R HA 0.321 4.661 4.340 -0.000 0.000 0.216 352 R C 0.754 177.057 176.300 0.004 0.000 1.279 352 R CA -0.827 55.277 56.100 0.006 0.000 1.015 352 R CB 0.347 30.650 30.300 0.005 0.000 1.756 352 R HN 0.311 nan 8.270 nan 0.000 0.528 353 L N 1.990 123.214 121.223 0.001 0.000 3.108 353 L HA 0.253 4.593 4.340 -0.000 0.000 0.251 353 L C -0.849 176.021 176.870 -0.001 0.000 1.315 353 L CA 0.053 54.893 54.840 -0.000 0.000 1.048 353 L CB -0.177 41.881 42.059 -0.002 0.000 1.432 353 L HN 0.286 nan 8.230 nan 0.000 0.543 354 K N 0.651 121.052 120.400 0.001 0.000 2.159 354 K HA 0.353 4.673 4.320 -0.000 0.000 0.266 354 K C 0.441 177.042 176.600 0.002 0.000 0.975 354 K CA -0.239 56.048 56.287 0.001 0.000 0.865 354 K CB 1.656 34.157 32.500 0.002 0.000 1.087 354 K HN 0.156 nan 8.250 nan 0.000 0.446 362 L N 2.856 124.114 121.223 0.057 0.000 2.855 362 L HA 0.259 4.599 4.340 -0.000 0.000 0.257 362 L C 2.203 179.149 176.870 0.126 0.000 1.206 362 L CA 0.806 55.700 54.840 0.090 0.000 1.042 362 L CB -0.855 41.251 42.059 0.078 0.000 1.321 362 L HN 0.786 nan 8.230 nan 0.000 0.417 363 Q N -0.175 119.681 119.800 0.094 0.000 2.498 363 Q HA -0.283 4.057 4.340 -0.000 0.000 0.219 363 Q C 1.152 177.200 176.000 0.079 0.000 1.000 363 Q CA 1.777 57.629 55.803 0.082 0.000 0.950 363 Q CB -0.146 28.625 28.738 0.055 0.000 0.926 363 Q HN 0.718 nan 8.270 nan 0.000 0.461 364 D N -3.962 116.488 120.400 0.085 0.000 4.336 364 D HA -0.161 4.479 4.640 -0.000 0.000 0.134 364 D C 0.579 176.943 176.300 0.106 0.000 1.760 364 D CA 0.418 54.478 54.000 0.100 0.000 0.530 364 D CB -1.298 39.580 40.800 0.129 0.000 3.240 364 D HN 0.101 nan 8.370 nan 0.000 0.232 365 F N 2.549 122.534 119.950 0.057 0.000 2.146 365 F HA 0.319 4.846 4.527 -0.000 0.000 0.298 365 F C 1.875 177.745 175.800 0.118 0.000 1.096 365 F CA 2.807 60.844 58.000 0.062 0.000 1.275 365 F CB -0.391 38.631 39.000 0.038 0.000 1.008 365 F HN 0.173 nan 8.300 nan 0.000 0.480 366 A N -0.381 122.393 122.820 -0.077 0.000 2.067 366 A HA -0.052 4.268 4.320 -0.000 0.000 0.217 366 A C 1.997 179.540 177.584 -0.068 0.000 1.156 366 A CA 1.312 53.294 52.037 -0.091 0.000 0.683 366 A CB -0.738 18.324 19.000 0.103 0.000 0.808 366 A HN 0.482 nan 8.150 nan 0.000 0.455 367 E N 0.371 120.563 120.200 -0.013 0.000 2.072 367 E HA -0.007 4.343 4.350 -0.000 0.000 0.190 367 E C 2.098 178.682 176.600 -0.028 0.000 0.982 367 E CA 1.376 57.788 56.400 0.021 0.000 0.803 367 E CB -0.378 29.351 29.700 0.050 0.000 0.755 367 E HN 0.462 nan 8.360 nan 0.000 0.453 368 A N -0.012 122.768 122.820 -0.068 0.000 1.877 368 A HA -0.209 4.111 4.320 -0.000 0.000 0.216 368 A C 2.230 179.754 177.584 -0.100 0.000 1.186 368 A CA 1.691 53.680 52.037 -0.080 0.000 0.620 368 A CB -1.060 17.891 19.000 -0.082 0.000 0.822 368 A HN 0.507 nan 8.150 nan 0.000 0.443 369 Y N 1.409 121.449 120.300 -0.434 0.000 2.181 369 Y HA -0.132 4.418 4.550 -0.000 0.000 0.288 369 Y C 2.621 178.379 175.900 -0.236 0.000 1.146 369 Y CA 1.847 59.693 58.100 -0.422 0.000 1.164 369 Y CB -1.105 36.913 38.460 -0.736 0.000 0.982 369 Y HN 0.324 nan 8.280 nan 0.000 0.515 370 T N 0.386 114.801 114.554 -0.231 0.000 2.708 370 T HA -0.189 4.161 4.350 -0.000 0.000 0.266 370 T C 1.901 176.465 174.700 -0.226 0.000 1.037 370 T CA 1.978 63.900 62.100 -0.296 0.000 1.146 370 T CB -0.145 68.571 68.868 -0.253 0.000 0.865 370 T HN 0.201 nan 8.240 nan 0.000 0.435 371 K N 0.399 120.727 120.400 -0.121 0.000 2.063 371 K HA -0.058 4.262 4.320 -0.000 0.000 0.208 371 K C 2.522 179.086 176.600 -0.060 0.000 1.048 371 K CA 1.115 57.361 56.287 -0.068 0.000 0.928 371 K CB -0.081 32.410 32.500 -0.015 0.000 0.713 371 K HN -0.003 nan 8.250 nan 0.000 0.442 372 R N 0.762 121.237 120.500 -0.042 0.000 2.070 372 R HA -0.048 4.292 4.340 -0.000 0.000 0.233 372 R C 1.996 178.277 176.300 -0.032 0.000 1.137 372 R CA 1.335 57.432 56.100 -0.005 0.000 0.945 372 R CB -0.473 29.868 30.300 0.067 0.000 0.845 372 R HN 0.104 nan 8.270 nan 0.000 0.430 373 L N -0.259 120.906 121.223 -0.098 0.000 2.012 373 L HA -0.203 4.137 4.340 -0.000 0.000 0.210 373 L C 2.305 179.106 176.870 -0.116 0.000 1.073 373 L CA 1.449 56.205 54.840 -0.140 0.000 0.748 373 L CB -0.476 41.408 42.059 -0.292 0.000 0.891 373 L HN 0.215 nan 8.230 nan 0.000 0.431 374 I N -0.060 120.429 120.570 -0.136 0.000 2.127 374 I HA -0.349 3.821 4.170 -0.000 0.000 0.241 374 I C 2.391 178.475 176.117 -0.056 0.000 1.075 374 I CA 1.709 62.945 61.300 -0.106 0.000 1.334 374 I CB -0.401 37.527 38.000 -0.121 0.000 1.040 374 I HN 0.354 nan 8.210 nan 0.000 0.405 375 N N 0.563 119.239 118.700 -0.041 0.000 2.069 375 N HA -0.161 4.579 4.740 -0.000 0.000 0.191 375 N C 1.775 177.277 175.510 -0.013 0.000 1.031 375 N CA 1.470 54.509 53.050 -0.019 0.000 0.852 375 N CB -0.228 38.253 38.487 -0.010 0.000 1.018 375 N HN 0.081 nan 8.380 nan 0.000 0.423 376 V N 0.879 120.784 119.914 -0.015 0.000 2.255 376 V HA -0.240 3.880 4.120 -0.000 0.000 0.247 376 V C 2.361 178.449 176.094 -0.010 0.000 1.051 376 V CA 1.626 63.922 62.300 -0.006 0.000 1.018 376 V CB -0.601 31.221 31.823 -0.001 0.000 0.641 376 V HN 0.360 nan 8.190 nan 0.000 0.445 377 L N -0.676 120.533 121.223 -0.023 0.000 2.056 377 L HA -0.160 4.180 4.340 -0.000 0.000 0.207 377 L C 2.618 179.482 176.870 -0.010 0.000 1.078 377 L CA 1.917 56.744 54.840 -0.020 0.000 0.749 377 L CB -0.970 41.066 42.059 -0.038 0.000 0.901 377 L HN 0.366 nan 8.230 nan 0.000 0.433 378 T N -0.847 113.700 114.554 -0.012 0.000 2.746 378 T HA -0.166 4.184 4.350 -0.000 0.000 0.267 378 T C 2.147 176.851 174.700 0.006 0.000 1.039 378 T CA 1.675 63.774 62.100 -0.002 0.000 1.142 378 T CB -0.108 68.758 68.868 -0.004 0.000 0.866 378 T HN 0.286 nan 8.240 nan 0.000 0.444 379 S N 1.524 117.227 115.700 0.004 0.000 2.356 379 S HA -0.054 4.416 4.470 -0.000 0.000 0.223 379 S C 2.619 177.228 174.600 0.014 0.000 1.032 379 S CA 1.002 59.207 58.200 0.009 0.000 1.005 379 S CB -0.653 62.551 63.200 0.007 0.000 0.867 379 S HN 0.601 nan 8.310 nan 0.000 0.449 380 A N 1.359 124.187 122.820 0.014 0.000 1.940 380 A HA -0.050 4.270 4.320 -0.000 0.000 0.219 380 A C 2.006 179.611 177.584 0.035 0.000 1.176 380 A CA 1.265 53.315 52.037 0.022 0.000 0.631 380 A CB -0.726 18.285 19.000 0.017 0.000 0.814 380 A HN 0.516 nan 8.150 nan 0.000 0.446 381 I N -0.933 119.656 120.570 0.031 0.000 3.111 381 I HA -0.158 4.011 4.170 -0.000 0.000 0.272 381 I C 2.278 178.422 176.117 0.045 0.000 1.268 381 I CA 0.385 61.713 61.300 0.046 0.000 1.467 381 I CB -0.159 37.862 38.000 0.035 0.000 1.087 381 I HN 0.257 nan 8.210 nan 0.000 0.467 382 M N -0.475 119.142 119.600 0.029 0.000 2.160 382 M HA -0.076 4.404 4.480 -0.000 0.000 0.264 382 M C 1.511 177.817 176.300 0.010 0.000 1.073 382 M CA 1.411 56.722 55.300 0.019 0.000 1.142 382 M CB -0.551 32.057 32.600 0.013 0.000 1.358 382 M HN 0.180 nan 8.290 nan 0.000 0.422 383 E N -1.325 118.881 120.200 0.009 0.000 4.082 383 E HA -0.109 4.241 4.350 -0.000 0.000 0.249 383 E C -0.159 176.457 176.600 0.027 0.000 0.641 383 E CA 0.536 56.946 56.400 0.018 0.000 2.398 383 E CB -0.648 29.063 29.700 0.019 0.000 1.659 383 E HN 0.401 nan 8.360 nan 0.000 0.625 384 L N 0.787 122.033 121.223 0.038 0.000 2.592 384 L HA 0.354 4.694 4.340 -0.000 0.000 0.258 384 L C -2.504 174.340 176.870 -0.044 0.000 0.926 384 L CA -1.454 53.396 54.840 0.017 0.000 0.885 384 L CB 2.276 44.380 42.059 0.076 0.000 1.380 384 L HN -0.126 nan 8.230 nan 0.000 0.415 385 P HA 0.101 nan 4.420 nan 0.000 0.318 385 P C -0.217 176.900 177.300 -0.305 0.000 1.309 385 P CA 0.146 63.074 63.100 -0.286 0.000 0.736 385 P CB 0.577 32.152 31.700 -0.209 0.000 1.440 386 D N -1.163 119.135 120.400 -0.170 0.000 2.213 386 D HA -0.148 4.492 4.640 -0.000 0.000 0.205 386 D C 1.326 177.615 176.300 -0.017 0.000 0.961 386 D CA 0.687 54.658 54.000 -0.050 0.000 0.853 386 D CB -0.569 40.216 40.800 -0.025 0.000 0.967 386 D HN 0.300 nan 8.370 nan 0.000 0.496 387 E N -0.541 119.614 120.200 -0.074 0.000 2.354 387 E HA -0.236 4.114 4.350 -0.000 0.000 0.214 387 E C 1.096 177.798 176.600 0.170 0.000 1.072 387 E CA 1.527 57.927 56.400 0.000 0.000 0.855 387 E CB -0.023 29.627 29.700 -0.083 0.000 0.742 387 E HN 0.532 nan 8.360 nan 0.000 0.475 388 Y N -0.833 119.472 120.300 0.009 0.000 2.972 388 Y HA 0.239 4.789 4.550 0.000 0.000 0.211 388 Y C 0.850 176.755 175.900 0.008 0.000 0.969 388 Y CA -0.377 57.727 58.100 0.008 0.000 1.574 388 Y CB -0.905 37.559 38.460 0.006 0.000 1.364 388 Y HN -0.199 nan 8.280 nan 0.000 0.467 389 R N 1.697 122.373 120.500 0.293 0.000 3.033 389 R HA -0.262 4.078 4.340 -0.000 0.000 0.215 389 R C 1.175 177.539 176.300 0.107 0.000 0.815 389 R CA 1.810 57.995 56.100 0.142 0.000 1.002 389 R CB 0.170 30.518 30.300 0.079 0.000 0.962 389 R HN 0.555 nan 8.270 nan 0.000 0.382 390 R N 0.483 121.028 120.500 0.074 0.000 1.308 390 R HA -0.202 4.138 4.340 -0.000 0.000 0.073 390 R C 1.056 177.382 176.300 0.043 0.000 0.933 390 R CA 0.911 57.044 56.100 0.054 0.000 1.957 390 R CB -1.799 28.536 30.300 0.058 0.000 0.404 390 R HN 0.602 nan 8.270 nan 0.000 0.711 391 A N 0.973 123.823 122.820 0.050 0.000 1.898 391 A HA 0.324 4.644 4.320 -0.000 0.000 0.214 391 A C 2.186 179.770 177.584 0.001 0.000 1.183 391 A CA 2.077 54.126 52.037 0.020 0.000 0.622 391 A CB -0.563 18.443 19.000 0.010 0.000 0.824 391 A HN 0.676 nan 8.150 nan 0.000 0.444 392 A N -0.497 122.325 122.820 0.004 0.000 1.902 392 A HA -0.110 4.210 4.320 -0.000 0.000 0.217 392 A C 2.484 180.069 177.584 0.003 0.000 1.181 392 A CA 2.166 54.196 52.037 -0.012 0.000 0.623 392 A CB -1.032 17.968 19.000 0.001 0.000 0.818 392 A HN 0.643 nan 8.150 nan 0.000 0.443 393 S N -0.729 114.984 115.700 0.020 0.000 2.400 393 S HA -0.222 4.248 4.470 -0.000 0.000 0.232 393 S C 2.159 176.764 174.600 0.008 0.000 1.025 393 S CA 1.726 59.936 58.200 0.016 0.000 0.993 393 S CB -0.328 62.886 63.200 0.025 0.000 0.808 393 S HN 0.610 nan 8.310 nan 0.000 0.478 394 R N 0.449 120.954 120.500 0.009 0.000 2.055 394 R HA 0.116 4.456 4.340 -0.000 0.000 0.228 394 R C 2.810 179.107 176.300 -0.005 0.000 1.143 394 R CA 1.200 57.302 56.100 0.004 0.000 0.945 394 R CB -0.803 29.500 30.300 0.006 0.000 0.841 394 R HN 0.471 nan 8.270 nan 0.000 0.429 395 A N 1.566 124.379 122.820 -0.012 0.000 1.881 395 A HA -0.258 4.062 4.320 -0.000 0.000 0.219 395 A C 2.106 179.680 177.584 -0.017 0.000 1.215 395 A CA 1.899 53.925 52.037 -0.019 0.000 0.648 395 A CB -0.936 18.045 19.000 -0.031 0.000 0.832 395 A HN 0.333 nan 8.150 nan 0.000 0.455 396 L N -0.213 121.000 121.223 -0.016 0.000 2.013 396 L HA -0.215 4.125 4.340 -0.000 0.000 0.212 396 L C 2.420 179.280 176.870 -0.016 0.000 1.073 396 L CA 2.969 57.798 54.840 -0.018 0.000 0.753 396 L CB -0.620 41.428 42.059 -0.019 0.000 0.890 396 L HN 0.479 nan 8.230 nan 0.000 0.432 397 R N -0.223 120.271 120.500 -0.011 0.000 2.090 397 R HA -0.145 4.195 4.340 -0.000 0.000 0.228 397 R C 2.513 178.809 176.300 -0.007 0.000 1.110 397 R CA 1.846 57.941 56.100 -0.007 0.000 0.973 397 R CB -0.540 29.759 30.300 -0.002 0.000 0.869 397 R HN 0.515 nan 8.270 nan 0.000 0.440 398 R N -0.108 120.388 120.500 -0.007 0.000 2.070 398 R HA -0.032 4.308 4.340 -0.000 0.000 0.233 398 R C 2.063 178.358 176.300 -0.008 0.000 1.137 398 R CA 1.717 57.813 56.100 -0.007 0.000 0.945 398 R CB -0.622 29.673 30.300 -0.008 0.000 0.845 398 R HN 0.289 nan 8.270 nan 0.000 0.430 399 A N 0.033 122.846 122.820 -0.011 0.000 1.978 399 A HA -0.156 4.164 4.320 -0.000 0.000 0.220 399 A C 2.198 179.774 177.584 -0.012 0.000 1.170 399 A CA 2.017 54.047 52.037 -0.012 0.000 0.636 399 A CB -0.570 18.420 19.000 -0.015 0.000 0.810 399 A HN 0.471 nan 8.150 nan 0.000 0.448 400 S N -1.064 114.627 115.700 -0.014 0.000 2.387 400 S HA -0.095 4.375 4.470 -0.000 0.000 0.226 400 S C 1.922 176.517 174.600 -0.008 0.000 1.026 400 S CA 1.444 59.635 58.200 -0.014 0.000 0.972 400 S CB -0.135 63.055 63.200 -0.018 0.000 0.814 400 S HN 0.711 nan 8.310 nan 0.000 0.477 401 E N 0.926 121.123 120.200 -0.005 0.000 2.046 401 E HA 0.033 4.383 4.350 -0.000 0.000 0.190 401 E C 1.886 178.485 176.600 -0.002 0.000 0.982 401 E CA 0.684 57.083 56.400 -0.002 0.000 0.800 401 E CB -0.050 29.649 29.700 -0.001 0.000 0.756 401 E HN 0.359 nan 8.360 nan 0.000 0.449 402 L N 0.456 121.678 121.223 -0.003 0.000 1.971 402 L HA -0.118 4.221 4.340 -0.000 0.000 0.208 402 L C 1.858 178.726 176.870 -0.002 0.000 1.083 402 L CA 1.082 55.920 54.840 -0.003 0.000 0.753 402 L CB -0.517 41.540 42.059 -0.004 0.000 0.893 402 L HN 0.090 nan 8.230 nan 0.000 0.436 403 N N 0.322 119.020 118.700 -0.004 0.000 2.520 403 N HA -0.039 4.701 4.740 -0.000 0.000 0.185 403 N C 0.766 176.274 175.510 -0.003 0.000 1.068 403 N CA 0.681 53.729 53.050 -0.003 0.000 0.911 403 N CB -0.490 37.994 38.487 -0.005 0.000 0.961 403 N HN 0.335 nan 8.380 nan 0.000 0.446 404 G N 0.000 108.797 108.800 -0.004 0.000 5.446 404 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 404 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 404 G CA 0.000 45.097 45.100 -0.005 0.000 0.502 404 G HN 0.000 nan 8.290 nan 0.000 0.925