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 3ooq_1_I DATA FIRST_RESID 6 DATA SEQUENCE KILFKNATVF PITSRPFKGD VLVSNGKVEK VGENIEDPDA EIVDLTGKFL DATA SEQUENCE FPGFVDAHSH IGLFEEGVGY YYSDGNEATD PVTPHVKALD GFNPQDPAIE DATA SEQUENCE RALAGGVTSV XIVPGSANPV GGQGSVIKFR SIIVEECIVK DPAGLKXAFG DATA SEQUENCE ENPKRVYGER KQTPSTRXGT AGVIRDYFTK VKNYXKKKEL AQKEGKEFTE DATA SEQUENCE TDLKXEVGEX VLRKKIPARX HAHRADDILT AIRIAEEFGF NLVIEHGTEA DATA SEQUENCE YKISKVLAEK KIPVVVGPLL TFRTKLELKD LTXETIAKLL KDGVLIALXC DATA SEQUENCE DHPVIPLEFA TVQAATAXRY GAKEEDLLKI LTVNPAKILG LEDRIGSIEP DATA SEQUENCE GKDADLVVWS GHPFDXKSVV ERVYIDGVEV FRR 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 6 K HA 0.000 nan 4.320 nan 0.000 0.191 6 K C 0.000 176.538 176.600 -0.103 0.000 0.988 6 K CA 0.000 56.255 56.287 -0.054 0.000 0.838 6 K CB 0.000 32.473 32.500 -0.044 0.000 1.064 7 I N 4.130 124.606 120.570 -0.156 0.000 2.499 7 I HA 0.375 4.545 4.170 -0.000 0.000 0.288 7 I C -1.328 174.545 176.117 -0.407 0.000 1.048 7 I CA -1.103 60.004 61.300 -0.322 0.000 1.062 7 I CB 1.817 39.549 38.000 -0.445 0.000 1.238 7 I HN 0.375 nan 8.210 nan 0.000 0.426 8 L N 7.197 128.159 121.223 -0.435 0.000 2.319 8 L HA 0.559 4.899 4.340 -0.000 0.000 0.281 8 L C -1.345 175.286 176.870 -0.398 0.000 1.005 8 L CA -0.045 54.608 54.840 -0.312 0.000 0.828 8 L CB 0.784 42.758 42.059 -0.143 0.000 1.227 8 L HN 0.235 nan 8.230 nan 0.000 0.415 9 F N 4.673 124.584 119.950 -0.065 0.000 2.404 9 F HA 0.455 4.982 4.527 -0.000 0.000 0.358 9 F C 0.600 176.380 175.800 -0.033 0.000 1.120 9 F CA -0.275 57.693 58.000 -0.054 0.000 1.144 9 F CB 0.690 39.646 39.000 -0.073 0.000 1.133 9 F HN 0.275 nan 8.300 nan 0.000 0.495 10 K N 2.076 122.545 120.400 0.115 0.000 2.206 10 K HA 0.237 4.557 4.320 -0.000 0.000 0.264 10 K C 0.089 176.721 176.600 0.054 0.000 0.967 10 K CA -0.800 55.526 56.287 0.064 0.000 0.844 10 K CB 1.408 33.924 32.500 0.028 0.000 1.099 10 K HN 0.600 nan 8.250 nan 0.000 0.441 11 N N 0.431 119.147 118.700 0.026 0.000 2.776 11 N HA -0.197 4.543 4.740 -0.000 0.000 0.250 11 N C -1.007 174.482 175.510 -0.036 0.000 1.112 11 N CA 0.855 53.904 53.050 -0.001 0.000 0.733 11 N CB -0.741 37.753 38.487 0.011 0.000 1.097 11 N HN 0.741 nan 8.380 nan 0.000 0.558 12 A N -0.805 121.979 122.820 -0.060 0.000 2.332 12 A HA 0.545 4.865 4.320 -0.000 0.000 0.258 12 A C 0.483 177.907 177.584 -0.267 0.000 1.087 12 A CA 0.379 52.344 52.037 -0.120 0.000 0.802 12 A CB 0.362 19.308 19.000 -0.089 0.000 1.042 12 A HN 0.324 nan 8.150 nan 0.000 0.489 13 T N 1.812 116.130 114.554 -0.392 0.000 2.738 13 T HA 0.370 4.720 4.350 -0.000 0.000 0.294 13 T C -0.054 174.380 174.700 -0.443 0.000 0.914 13 T CA -0.046 61.736 62.100 -0.530 0.000 1.052 13 T CB -0.160 68.228 68.868 -0.800 0.000 0.897 13 T HN 0.371 nan 8.240 nan 0.000 0.522 14 V N 4.820 124.328 119.914 -0.677 0.000 2.465 14 V HA 0.361 4.481 4.120 -0.000 0.000 0.279 14 V C -0.301 175.412 176.094 -0.635 0.000 1.045 14 V CA -0.604 61.305 62.300 -0.653 0.000 0.938 14 V CB 0.569 31.829 31.823 -0.937 0.000 0.986 14 V HN 0.733 nan 8.190 nan 0.000 0.467 15 F N 6.875 126.428 119.950 -0.662 0.000 2.307 15 F HA 0.412 4.939 4.527 -0.000 0.000 0.369 15 F C -1.558 174.035 175.800 -0.346 0.000 1.076 15 F CA -2.274 55.360 58.000 -0.611 0.000 1.149 15 F CB 1.425 39.664 39.000 -1.269 0.000 1.410 15 F HN 0.410 nan 8.300 nan 0.000 0.481 16 P HA -0.107 nan 4.420 nan 0.000 0.223 16 P C 1.177 178.514 177.300 0.061 0.000 1.151 16 P CA 0.964 64.086 63.100 0.037 0.000 0.787 16 P CB 0.640 32.402 31.700 0.102 0.000 0.788 17 I N -2.833 117.785 120.570 0.081 0.000 4.300 17 I HA -0.347 3.823 4.170 -0.000 0.000 0.079 17 I C 1.607 177.779 176.117 0.091 0.000 0.562 17 I CA 2.517 63.891 61.300 0.123 0.000 1.126 17 I CB -2.904 35.190 38.000 0.157 0.000 1.002 17 I HN 0.142 nan 8.210 nan 0.000 0.174 18 T N -1.433 113.163 114.554 0.071 0.000 3.072 18 T HA 0.195 4.545 4.350 -0.000 0.000 0.266 18 T C 0.839 175.561 174.700 0.037 0.000 1.127 18 T CA 1.283 63.415 62.100 0.053 0.000 1.107 18 T CB 0.147 69.041 68.868 0.043 0.000 0.910 18 T HN 0.392 nan 8.240 nan 0.000 0.513 19 S N 0.382 116.105 115.700 0.038 0.000 2.697 19 S HA 0.563 5.033 4.470 -0.000 0.000 0.289 19 S C -0.429 174.179 174.600 0.014 0.000 1.149 19 S CA -1.301 56.910 58.200 0.019 0.000 0.850 19 S CB 1.947 65.151 63.200 0.006 0.000 1.151 19 S HN 0.634 nan 8.310 nan 0.000 0.491 20 R N 0.325 120.823 120.500 -0.004 0.000 2.641 20 R HA 0.413 4.753 4.340 -0.000 0.000 0.269 20 R C -2.862 173.389 176.300 -0.081 0.000 1.074 20 R CA -1.125 54.951 56.100 -0.040 0.000 1.133 20 R CB -0.965 29.317 30.300 -0.030 0.000 1.029 20 R HN 0.183 nan 8.270 nan 0.000 0.488 21 P HA 0.070 nan 4.420 nan 0.000 0.269 21 P C -1.156 176.010 177.300 -0.222 0.000 1.215 21 P CA -0.033 62.703 63.100 -0.605 0.000 0.780 21 P CB 0.289 31.221 31.700 -1.280 0.000 0.898 22 F N -1.404 118.324 119.950 -0.369 0.000 2.668 22 F HA 0.666 5.192 4.527 -0.000 0.000 0.309 22 F C -0.772 174.904 175.800 -0.206 0.000 1.117 22 F CA -1.835 56.027 58.000 -0.230 0.000 0.951 22 F CB 1.251 40.153 39.000 -0.164 0.000 1.323 22 F HN -0.034 nan 8.300 nan 0.000 0.451 23 K N 1.720 122.077 120.400 -0.071 0.000 2.297 23 K HA 0.721 5.041 4.320 -0.000 0.000 0.286 23 K C -0.045 176.575 176.600 0.033 0.000 1.053 23 K CA 0.642 56.852 56.287 -0.128 0.000 0.940 23 K CB 0.622 33.090 32.500 -0.053 0.000 1.019 23 K HN 1.184 nan 8.250 nan 0.000 0.475 24 G N 2.622 111.356 108.800 -0.109 0.000 2.364 24 G HA2 0.216 4.176 3.960 -0.000 0.000 0.286 24 G HA3 0.216 4.176 3.960 -0.000 0.000 0.286 24 G C -1.752 173.164 174.900 0.026 0.000 1.241 24 G CA -0.719 44.438 45.100 0.094 0.000 0.887 24 G HN 0.556 nan 8.290 nan 0.000 0.484 25 D N -0.710 119.770 120.400 0.135 0.000 2.490 25 D HA 0.643 5.283 4.640 -0.000 0.000 0.232 25 D C -0.906 175.474 176.300 0.133 0.000 1.053 25 D CA -0.342 53.721 54.000 0.105 0.000 0.914 25 D CB 2.487 43.339 40.800 0.088 0.000 1.431 25 D HN 0.357 nan 8.370 nan 0.000 0.483 26 V N 1.490 121.495 119.914 0.152 0.000 2.623 26 V HA 0.292 4.412 4.120 -0.000 0.000 0.304 26 V C -0.833 175.373 176.094 0.186 0.000 1.054 26 V CA -0.785 61.615 62.300 0.167 0.000 0.882 26 V CB 2.058 33.964 31.823 0.139 0.000 1.002 26 V HN 0.343 nan 8.190 nan 0.000 0.424 27 L N 6.337 127.622 121.223 0.104 0.000 2.309 27 L HA 0.784 5.124 4.340 -0.000 0.000 0.282 27 L C -0.537 176.367 176.870 0.056 0.000 1.036 27 L CA 0.048 54.917 54.840 0.048 0.000 0.806 27 L CB 1.775 43.843 42.059 0.016 0.000 1.220 27 L HN 0.455 nan 8.230 nan 0.000 0.429 28 V N 4.087 124.016 119.914 0.025 0.000 2.540 28 V HA 0.823 4.943 4.120 -0.000 0.000 0.302 28 V C -0.446 175.646 176.094 -0.003 0.000 1.035 28 V CA -0.251 62.068 62.300 0.032 0.000 0.873 28 V CB 1.758 33.622 31.823 0.068 0.000 0.992 28 V HN 0.944 nan 8.190 nan 0.000 0.428 29 S N 2.196 117.901 115.700 0.009 0.000 2.556 29 S HA 0.550 5.020 4.470 -0.000 0.000 0.271 29 S C -0.313 174.296 174.600 0.015 0.000 1.135 29 S CA -0.683 57.520 58.200 0.005 0.000 0.858 29 S CB 1.373 64.572 63.200 -0.002 0.000 1.114 29 S HN 0.882 nan 8.310 nan 0.000 0.468 30 N N 0.843 119.552 118.700 0.015 0.000 2.727 30 N HA -0.153 4.587 4.740 -0.000 0.000 0.249 30 N C 0.929 176.454 175.510 0.025 0.000 1.048 30 N CA 0.927 53.989 53.050 0.019 0.000 0.714 30 N CB -1.496 36.999 38.487 0.014 0.000 0.959 30 N HN 1.819 nan 8.380 nan 0.000 0.544 31 G N -1.545 107.275 108.800 0.034 0.000 2.184 31 G HA2 -0.386 3.573 3.960 -0.000 0.000 0.264 31 G HA3 -0.386 3.573 3.960 -0.000 0.000 0.264 31 G C 0.041 174.966 174.900 0.042 0.000 0.975 31 G CA 1.049 46.176 45.100 0.044 0.000 0.642 31 G HN 0.529 nan 8.290 nan 0.000 0.536 32 K N -0.621 119.800 120.400 0.035 0.000 2.395 32 K HA 0.632 4.952 4.320 -0.000 0.000 0.247 32 K C 0.075 176.696 176.600 0.035 0.000 0.973 32 K CA -0.997 55.309 56.287 0.032 0.000 0.828 32 K CB 2.753 35.268 32.500 0.024 0.000 1.272 32 K HN 0.005 nan 8.250 nan 0.000 0.439 33 V N 2.990 122.924 119.914 0.034 0.000 2.409 33 V HA -0.053 4.067 4.120 -0.000 0.000 0.270 33 V C 1.312 177.425 176.094 0.032 0.000 1.019 33 V CA 0.659 62.982 62.300 0.038 0.000 1.066 33 V CB 0.389 32.233 31.823 0.035 0.000 1.021 33 V HN 0.847 nan 8.190 nan 0.000 0.476 34 E N 4.407 124.626 120.200 0.031 0.000 2.060 34 E HA 0.050 4.400 4.350 -0.000 0.000 0.189 34 E C 0.407 177.020 176.600 0.022 0.000 0.974 34 E CA 0.724 57.137 56.400 0.022 0.000 0.808 34 E CB 0.417 30.126 29.700 0.015 0.000 0.768 34 E HN 0.635 nan 8.360 nan 0.000 0.453 35 K N 0.119 120.538 120.400 0.032 0.000 2.464 35 K HA 0.465 4.785 4.320 -0.000 0.000 0.253 35 K C -1.596 175.037 176.600 0.056 0.000 0.933 35 K CA -0.666 55.640 56.287 0.032 0.000 0.801 35 K CB 3.098 35.612 32.500 0.023 0.000 1.271 35 K HN -0.167 nan 8.250 nan 0.000 0.430 36 V N 1.220 121.168 119.914 0.056 0.000 2.668 36 V HA 0.813 4.933 4.120 -0.000 0.000 0.304 36 V C -0.047 176.082 176.094 0.059 0.000 1.071 36 V CA -0.580 61.785 62.300 0.108 0.000 0.894 36 V CB 1.539 33.444 31.823 0.136 0.000 1.008 36 V HN 1.064 nan 8.190 nan 0.000 0.425 37 G N 3.006 111.870 108.800 0.106 0.000 2.379 37 G HA2 0.412 4.372 3.960 -0.000 0.000 0.301 37 G HA3 0.412 4.372 3.960 -0.000 0.000 0.301 37 G C -0.049 174.892 174.900 0.069 0.000 1.258 37 G CA 0.214 45.280 45.100 -0.057 0.000 0.862 37 G HN 0.526 nan 8.290 nan 0.000 0.484 38 E N -0.419 119.762 120.200 -0.032 0.000 2.072 38 E HA 0.018 4.367 4.350 -0.000 0.000 0.191 38 E C 0.884 177.526 176.600 0.071 0.000 0.985 38 E CA 1.416 57.837 56.400 0.034 0.000 0.801 38 E CB 0.000 29.681 29.700 -0.031 0.000 0.750 38 E HN 0.383 nan 8.360 nan 0.000 0.452 39 N N -0.721 118.003 118.700 0.040 0.000 2.785 39 N HA 0.208 4.948 4.740 -0.000 0.000 0.224 39 N C -1.744 173.780 175.510 0.022 0.000 1.448 39 N CA -0.254 52.815 53.050 0.032 0.000 0.748 39 N CB 0.275 38.772 38.487 0.016 0.000 1.385 39 N HN -0.089 nan 8.380 nan 0.000 0.538 40 I N 1.310 121.899 120.570 0.032 0.000 2.519 40 I HA 0.256 4.426 4.170 -0.000 0.000 0.287 40 I C 0.257 176.380 176.117 0.010 0.000 1.047 40 I CA 0.149 61.461 61.300 0.020 0.000 1.381 40 I CB 1.118 39.136 38.000 0.029 0.000 1.417 40 I HN 0.270 nan 8.210 nan 0.000 0.540 41 E N 3.992 124.193 120.200 0.001 0.000 2.293 41 E HA 0.523 4.873 4.350 -0.000 0.000 0.270 41 E C -1.389 175.205 176.600 -0.011 0.000 0.879 41 E CA -0.792 55.605 56.400 -0.006 0.000 0.756 41 E CB 2.398 32.096 29.700 -0.005 0.000 1.208 41 E HN 0.440 nan 8.360 nan 0.000 0.428 42 D N 2.462 122.852 120.400 -0.017 0.000 2.977 42 D HA 0.194 4.834 4.640 -0.000 0.000 0.220 42 D C -2.081 174.205 176.300 -0.024 0.000 1.267 42 D CA -1.616 52.372 54.000 -0.021 0.000 0.884 42 D CB 2.100 42.884 40.800 -0.027 0.000 1.667 42 D HN 0.159 nan 8.370 nan 0.000 0.536 43 P HA 0.103 nan 4.420 nan 0.000 0.215 43 P C 0.426 177.712 177.300 -0.024 0.000 1.157 43 P CA 0.612 63.700 63.100 -0.020 0.000 0.856 43 P CB 0.449 32.140 31.700 -0.015 0.000 0.786 44 D N -0.312 120.073 120.400 -0.024 0.000 2.336 44 D HA 0.167 4.807 4.640 -0.000 0.000 0.229 44 D C 0.550 176.829 176.300 -0.035 0.000 1.061 44 D CA 0.275 54.259 54.000 -0.025 0.000 0.875 44 D CB -0.100 40.688 40.800 -0.020 0.000 0.904 44 D HN 0.152 nan 8.370 nan 0.000 0.525 45 A N 0.886 123.679 122.820 -0.046 0.000 2.301 45 A HA 0.211 4.531 4.320 -0.000 0.000 0.312 45 A C 0.360 177.896 177.584 -0.079 0.000 1.182 45 A CA -0.567 51.429 52.037 -0.068 0.000 0.826 45 A CB 1.076 20.028 19.000 -0.081 0.000 1.134 45 A HN 0.016 nan 8.150 nan 0.000 0.501 46 E N 2.028 122.172 120.200 -0.092 0.000 2.366 46 E HA 0.243 4.593 4.350 -0.000 0.000 0.266 46 E C -0.511 175.998 176.600 -0.151 0.000 1.015 46 E CA -0.200 56.141 56.400 -0.099 0.000 0.906 46 E CB 0.239 29.887 29.700 -0.087 0.000 0.979 46 E HN 0.572 nan 8.360 nan 0.000 0.443 47 I N 2.003 122.501 120.570 -0.120 0.000 2.488 47 I HA 0.398 4.568 4.170 -0.000 0.000 0.299 47 I C -1.126 174.911 176.117 -0.134 0.000 0.984 47 I CA -0.667 60.549 61.300 -0.141 0.000 1.250 47 I CB 1.809 39.760 38.000 -0.082 0.000 1.389 47 I HN 0.130 nan 8.210 nan 0.000 0.488 48 V N 5.003 124.815 119.914 -0.170 0.000 2.443 48 V HA 0.335 4.454 4.120 -0.000 0.000 0.293 48 V C -0.811 175.304 176.094 0.035 0.000 1.021 48 V CA -0.440 61.822 62.300 -0.064 0.000 0.848 48 V CB 1.265 33.031 31.823 -0.094 0.000 0.998 48 V HN 0.807 nan 8.190 nan 0.000 0.424 49 D N 4.455 124.889 120.400 0.057 0.000 2.316 49 D HA 0.342 4.982 4.640 -0.000 0.000 0.245 49 D C 0.273 176.634 176.300 0.101 0.000 1.171 49 D CA -0.020 54.019 54.000 0.066 0.000 0.856 49 D CB 1.412 42.239 40.800 0.044 0.000 1.090 49 D HN 0.476 nan 8.370 nan 0.000 0.476 50 L N 3.331 124.618 121.223 0.107 0.000 3.017 50 L HA 0.155 4.495 4.340 -0.000 0.000 0.255 50 L C 0.462 177.379 176.870 0.078 0.000 1.247 50 L CA -0.300 54.609 54.840 0.116 0.000 1.038 50 L CB 0.183 42.322 42.059 0.133 0.000 1.380 50 L HN 0.243 nan 8.230 nan 0.000 0.548 51 T N 0.914 115.507 114.554 0.064 0.000 2.822 51 T HA 0.175 4.525 4.350 -0.000 0.000 0.288 51 T C 1.348 176.094 174.700 0.077 0.000 0.991 51 T CA 1.169 63.300 62.100 0.052 0.000 1.176 51 T CB 0.769 69.665 68.868 0.047 0.000 0.951 51 T HN 0.696 nan 8.240 nan 0.000 0.526 52 G N 2.602 111.448 108.800 0.076 0.000 2.199 52 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.254 52 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.254 52 G C 0.239 175.278 174.900 0.232 0.000 0.982 52 G CA -0.009 45.171 45.100 0.134 0.000 0.632 52 G HN 0.600 nan 8.290 nan 0.000 0.529 53 K N -0.457 120.062 120.400 0.198 0.000 2.211 53 K HA 0.812 5.132 4.320 -0.000 0.000 0.237 53 K C -0.810 175.977 176.600 0.312 0.000 1.002 53 K CA -0.833 55.653 56.287 0.332 0.000 0.885 53 K CB 0.885 33.526 32.500 0.236 0.000 1.136 53 K HN 0.042 nan 8.250 nan 0.000 0.448 54 F N 0.749 120.814 119.950 0.191 0.000 2.507 54 F HA 0.364 4.891 4.527 -0.000 0.000 0.325 54 F C -0.343 175.608 175.800 0.252 0.000 1.116 54 F CA -1.077 57.063 58.000 0.233 0.000 0.930 54 F CB 1.312 40.491 39.000 0.298 0.000 1.146 54 F HN 0.118 nan 8.300 nan 0.000 0.447 55 L N 4.642 125.988 121.223 0.206 0.000 2.305 55 L HA 0.642 4.982 4.340 -0.000 0.000 0.284 55 L C -1.643 175.227 176.870 0.001 0.000 1.013 55 L CA -0.370 54.523 54.840 0.088 0.000 0.819 55 L CB 0.395 42.386 42.059 -0.114 0.000 1.227 55 L HN 0.386 nan 8.230 nan 0.000 0.417 56 F N 5.774 125.728 119.950 0.006 0.000 2.561 56 F HA 0.705 5.232 4.527 -0.000 0.000 0.321 56 F C -1.973 173.757 175.800 -0.116 0.000 1.065 56 F CA -1.907 56.059 58.000 -0.057 0.000 0.934 56 F CB 1.678 40.588 39.000 -0.149 0.000 1.215 56 F HN 0.406 nan 8.300 nan 0.000 0.471 57 P HA 0.151 nan 4.420 nan 0.000 0.272 57 P C -0.201 177.037 177.300 -0.103 0.000 1.230 57 P CA -0.241 62.862 63.100 0.004 0.000 0.788 57 P CB 0.499 32.227 31.700 0.046 0.000 0.949 58 G N 1.053 109.803 108.800 -0.083 0.000 2.491 58 G HA2 0.226 4.186 3.960 -0.000 0.000 0.238 58 G HA3 0.226 4.186 3.960 -0.000 0.000 0.238 58 G C -0.525 174.338 174.900 -0.061 0.000 1.277 58 G CA -0.275 44.752 45.100 -0.121 0.000 0.851 58 G HN 0.227 nan 8.290 nan 0.000 0.573 59 F N 0.110 120.126 119.950 0.111 0.000 2.382 59 F HA 0.417 4.944 4.527 -0.000 0.000 0.331 59 F C 0.594 176.431 175.800 0.062 0.000 1.121 59 F CA -0.752 57.309 58.000 0.102 0.000 1.183 59 F CB 1.710 40.783 39.000 0.122 0.000 1.207 59 F HN 0.140 nan 8.300 nan 0.000 0.555 60 V N 2.403 122.483 119.914 0.276 0.000 2.443 60 V HA 0.225 4.345 4.120 -0.000 0.000 0.293 60 V C -0.754 175.401 176.094 0.102 0.000 1.021 60 V CA -0.890 61.486 62.300 0.127 0.000 0.848 60 V CB 1.565 33.441 31.823 0.089 0.000 0.998 60 V HN 0.598 nan 8.190 nan 0.000 0.424 61 D N 3.846 124.288 120.400 0.070 0.000 2.373 61 D HA 0.458 5.098 4.640 -0.000 0.000 0.227 61 D C 0.788 177.108 176.300 0.034 0.000 1.091 61 D CA -0.203 53.835 54.000 0.063 0.000 0.840 61 D CB 2.265 43.114 40.800 0.082 0.000 1.060 61 D HN 0.598 nan 8.370 nan 0.000 0.502 62 A N 3.816 126.662 122.820 0.043 0.000 2.209 62 A HA -0.070 4.250 4.320 -0.000 0.000 0.212 62 A C 0.630 178.255 177.584 0.069 0.000 1.158 62 A CA 0.698 52.757 52.037 0.038 0.000 0.742 62 A CB -0.266 18.758 19.000 0.040 0.000 0.790 62 A HN 0.728 nan 8.150 nan 0.000 0.472 63 H N -1.291 117.742 119.070 -0.061 0.000 3.287 63 H HA 0.533 5.089 4.556 -0.000 0.000 0.330 63 H C -1.204 174.030 175.328 -0.156 0.000 1.064 63 H CA 0.099 56.084 56.048 -0.105 0.000 1.544 63 H CB 0.885 30.575 29.762 -0.120 0.000 1.918 63 H HN 0.093 nan 8.280 nan 0.000 0.477 64 S N 2.634 118.165 115.700 -0.281 0.000 2.588 64 S HA 0.289 4.759 4.470 -0.000 0.000 0.275 64 S C -0.595 173.762 174.600 -0.405 0.000 1.130 64 S CA -0.672 57.391 58.200 -0.229 0.000 0.855 64 S CB 0.979 64.168 63.200 -0.018 0.000 1.116 64 S HN 0.811 nan 8.310 nan 0.000 0.472 65 H N 1.880 121.079 119.070 0.216 0.000 2.785 65 H HA 0.329 4.885 4.556 -0.000 0.000 0.268 65 H C 0.418 175.977 175.328 0.384 0.000 1.153 65 H CA -0.275 55.944 56.048 0.284 0.000 1.111 65 H CB 0.040 29.957 29.762 0.260 0.000 1.633 65 H HN 0.450 nan 8.280 nan 0.000 0.576 66 I N 1.085 121.865 120.570 0.350 0.000 2.880 66 I HA -0.010 4.159 4.170 -0.000 0.000 0.296 66 I C 1.433 177.745 176.117 0.324 0.000 1.220 66 I CA 1.753 63.158 61.300 0.175 0.000 1.435 66 I CB 0.441 38.294 38.000 -0.244 0.000 1.339 66 I HN 0.570 nan 8.210 nan 0.000 0.583 67 G N 5.210 114.073 108.800 0.104 0.000 2.304 67 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.252 67 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.252 67 G C 0.719 175.593 174.900 -0.044 0.000 1.014 67 G CA 0.668 45.620 45.100 -0.246 0.000 0.619 67 G HN 0.575 nan 8.290 nan 0.000 0.525 68 L N -1.216 120.144 121.223 0.227 0.000 2.316 68 L HA 0.449 4.789 4.340 -0.000 0.000 0.207 68 L C 0.733 177.663 176.870 0.100 0.000 1.070 68 L CA 0.278 55.236 54.840 0.196 0.000 0.820 68 L CB 0.141 42.396 42.059 0.327 0.000 0.992 68 L HN 0.130 nan 8.230 nan 0.000 0.466 69 F N 1.214 121.210 119.950 0.078 0.000 2.329 69 F HA 0.225 4.752 4.527 -0.000 0.000 0.362 69 F C 0.735 176.534 175.800 -0.001 0.000 1.113 69 F CA -0.999 57.006 58.000 0.008 0.000 1.212 69 F CB 0.097 39.085 39.000 -0.020 0.000 1.509 69 F HN -0.060 nan 8.300 nan 0.000 0.546 70 E N 2.358 122.599 120.200 0.069 0.000 2.502 70 E HA -0.071 4.279 4.350 -0.000 0.000 0.261 70 E C -0.007 176.613 176.600 0.034 0.000 0.974 70 E CA 0.004 56.414 56.400 0.017 0.000 0.936 70 E CB 0.648 30.316 29.700 -0.054 0.000 0.926 70 E HN 0.602 nan 8.360 nan 0.000 0.459 71 E N 2.125 122.340 120.200 0.025 0.000 2.331 71 E HA 0.247 4.597 4.350 -0.000 0.000 0.272 71 E C 0.227 176.826 176.600 -0.002 0.000 1.036 71 E CA 0.573 56.983 56.400 0.017 0.000 0.864 71 E CB 0.649 30.365 29.700 0.026 0.000 1.035 71 E HN 0.751 nan 8.360 nan 0.000 0.408 72 G N 2.288 111.092 108.800 0.007 0.000 2.198 72 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.257 72 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.257 72 G C 0.322 175.235 174.900 0.021 0.000 1.042 72 G CA 0.235 45.343 45.100 0.013 0.000 0.791 72 G HN 0.462 nan 8.290 nan 0.000 0.502 73 V N -1.130 118.813 119.914 0.048 0.000 3.245 73 V HA 0.667 4.787 4.120 -0.000 0.000 0.246 73 V C 1.293 177.537 176.094 0.250 0.000 1.487 73 V CA 1.598 63.949 62.300 0.084 0.000 1.154 73 V CB 0.698 32.514 31.823 -0.011 0.000 0.971 73 V HN 2.258 nan 8.190 nan 0.000 0.443 74 G N -1.108 107.809 108.800 0.195 0.000 2.640 74 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.686 74 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.686 74 G C -0.289 174.732 174.900 0.202 0.000 1.229 74 G CA -0.084 45.151 45.100 0.226 0.000 0.796 74 G HN 0.036 nan 8.290 nan 0.000 0.654 75 Y N 0.250 120.632 120.300 0.136 0.000 2.241 75 Y HA -0.188 4.362 4.550 -0.000 0.000 0.286 75 Y C 2.693 178.614 175.900 0.034 0.000 1.166 75 Y CA 2.800 60.967 58.100 0.112 0.000 1.203 75 Y CB -0.218 38.307 38.460 0.108 0.000 0.977 75 Y HN 0.757 nan 8.280 nan 0.000 0.529 76 Y N -0.968 119.336 120.300 0.007 0.000 2.298 76 Y HA -0.320 4.230 4.550 -0.000 0.000 0.287 76 Y C 1.188 176.913 175.900 -0.292 0.000 1.164 76 Y CA 1.427 59.399 58.100 -0.212 0.000 1.229 76 Y CB -0.696 37.517 38.460 -0.412 0.000 0.977 76 Y HN 0.180 nan 8.280 nan 0.000 0.538 77 Y N -0.980 119.223 120.300 -0.162 0.000 2.466 77 Y HA 0.215 4.765 4.550 -0.000 0.000 0.272 77 Y C 1.410 177.129 175.900 -0.302 0.000 1.169 77 Y CA 0.219 58.162 58.100 -0.261 0.000 1.285 77 Y CB -0.337 38.056 38.460 -0.112 0.000 1.078 77 Y HN -0.119 nan 8.280 nan 0.000 0.523 78 S N 0.764 116.308 115.700 -0.260 0.000 2.549 78 S HA -0.013 4.457 4.470 -0.000 0.000 0.283 78 S C 0.650 174.957 174.600 -0.488 0.000 1.320 78 S CA -0.274 57.594 58.200 -0.552 0.000 1.058 78 S CB 0.299 62.849 63.200 -1.082 0.000 0.882 78 S HN 0.300 nan 8.310 nan 0.000 0.498 79 D N 3.684 123.826 120.400 -0.431 0.000 2.424 79 D HA 0.191 4.831 4.640 -0.000 0.000 0.220 79 D C 1.478 177.643 176.300 -0.225 0.000 1.150 79 D CA 0.124 53.968 54.000 -0.260 0.000 0.831 79 D CB 0.195 40.911 40.800 -0.140 0.000 0.981 79 D HN 0.734 nan 8.370 nan 0.000 0.500 80 G N 0.241 108.801 108.800 -0.399 0.000 2.623 80 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.214 80 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.214 80 G C 0.777 175.685 174.900 0.013 0.000 1.138 80 G CA 0.061 45.112 45.100 -0.082 0.000 0.794 80 G HN 0.044 nan 8.290 nan 0.000 0.535 81 N N 0.530 119.191 118.700 -0.065 0.000 2.533 81 N HA 0.153 4.892 4.740 -0.000 0.000 0.289 81 N C -1.469 174.016 175.510 -0.042 0.000 1.103 81 N CA -0.446 52.596 53.050 -0.015 0.000 0.877 81 N CB 2.013 40.513 38.487 0.021 0.000 1.419 81 N HN -0.051 nan 8.380 nan 0.000 0.517 82 E N 2.010 122.192 120.200 -0.030 0.000 2.148 82 E HA 0.217 4.567 4.350 -0.000 0.000 0.308 82 E C 0.037 176.650 176.600 0.021 0.000 1.278 82 E CA -0.310 56.074 56.400 -0.027 0.000 1.368 82 E CB -0.464 29.208 29.700 -0.046 0.000 1.229 82 E HN 0.552 nan 8.360 nan 0.000 0.494 83 A N 2.852 125.675 122.820 0.005 0.000 2.916 83 A HA 0.097 4.417 4.320 -0.000 0.000 0.254 83 A C 1.054 178.649 177.584 0.018 0.000 1.544 83 A CA 0.400 52.442 52.037 0.008 0.000 1.224 83 A CB -0.709 18.233 19.000 -0.097 0.000 1.012 83 A HN 0.408 nan 8.150 nan 0.000 0.636 84 T N -3.851 110.769 114.554 0.109 0.000 3.145 84 T HA 0.338 4.688 4.350 -0.000 0.000 0.281 84 T C -0.386 174.421 174.700 0.179 0.000 1.003 84 T CA 0.168 62.336 62.100 0.113 0.000 0.901 84 T CB 0.174 69.072 68.868 0.050 0.000 1.112 84 T HN 0.296 nan 8.240 nan 0.000 0.535 85 D N 0.909 121.456 120.400 0.245 0.000 2.530 85 D HA 0.184 4.824 4.640 -0.000 0.000 0.193 85 D C -2.719 173.516 176.300 -0.109 0.000 1.243 85 D CA -1.200 52.829 54.000 0.049 0.000 0.803 85 D CB 2.265 43.076 40.800 0.018 0.000 1.955 85 D HN -0.156 nan 8.370 nan 0.000 0.529 86 P HA 0.047 nan 4.420 nan 0.000 0.237 86 P C 0.249 177.336 177.300 -0.354 0.000 1.178 86 P CA 0.238 62.926 63.100 -0.688 0.000 0.766 86 P CB 0.572 31.675 31.700 -0.995 0.000 0.876 87 V N 1.277 121.022 119.914 -0.282 0.000 2.327 87 V HA 0.191 4.311 4.120 -0.000 0.000 0.272 87 V C 0.512 176.484 176.094 -0.203 0.000 1.019 87 V CA -0.211 61.899 62.300 -0.316 0.000 0.814 87 V CB 0.866 32.475 31.823 -0.356 0.000 1.040 87 V HN 0.096 nan 8.190 nan 0.000 0.440 88 T N 0.915 115.377 114.554 -0.153 0.000 3.416 88 T HA 0.277 4.627 4.350 -0.000 0.000 0.245 88 T C -1.374 173.292 174.700 -0.056 0.000 1.081 88 T CA -1.397 60.702 62.100 -0.001 0.000 1.190 88 T CB 0.952 69.794 68.868 -0.044 0.000 1.068 88 T HN 0.404 nan 8.240 nan 0.000 0.580 89 P HA -0.175 nan 4.420 nan 0.000 0.222 89 P C 1.403 178.697 177.300 -0.008 0.000 1.147 89 P CA 1.212 64.236 63.100 -0.126 0.000 0.790 89 P CB -0.156 31.408 31.700 -0.227 0.000 0.780 90 H N -0.011 118.995 119.070 -0.106 0.000 2.529 90 H HA 0.065 4.621 4.556 -0.000 0.000 0.277 90 H C 0.838 176.139 175.328 -0.045 0.000 0.999 90 H CA 0.189 56.200 56.048 -0.062 0.000 1.256 90 H CB -1.543 28.185 29.762 -0.058 0.000 1.402 90 H HN 0.014 nan 8.280 nan 0.000 0.566 91 V N 0.151 119.743 119.914 -0.537 0.000 2.834 91 V HA 0.363 4.483 4.120 -0.000 0.000 0.301 91 V C -0.210 175.785 176.094 -0.165 0.000 1.066 91 V CA -0.976 61.094 62.300 -0.383 0.000 1.052 91 V CB 1.340 32.936 31.823 -0.377 0.000 1.021 91 V HN 0.216 nan 8.190 nan 0.000 0.480 92 K N 3.472 123.809 120.400 -0.106 0.000 2.376 92 K HA 0.698 5.018 4.320 -0.000 0.000 0.257 92 K C 0.889 177.476 176.600 -0.022 0.000 0.939 92 K CA -0.170 56.086 56.287 -0.051 0.000 0.809 92 K CB 2.003 34.483 32.500 -0.033 0.000 1.121 92 K HN 0.818 nan 8.250 nan 0.000 0.425 93 A N 3.019 125.837 122.820 -0.004 0.000 1.927 93 A HA -0.214 4.106 4.320 -0.000 0.000 0.220 93 A C 1.949 179.572 177.584 0.064 0.000 1.185 93 A CA 1.608 53.669 52.037 0.041 0.000 0.639 93 A CB -0.475 18.548 19.000 0.038 0.000 0.820 93 A HN 0.771 nan 8.150 nan 0.000 0.451 94 L N 0.053 121.285 121.223 0.016 0.000 2.051 94 L HA -0.231 4.109 4.340 -0.000 0.000 0.214 94 L C 1.318 178.241 176.870 0.089 0.000 1.076 94 L CA 2.544 57.400 54.840 0.028 0.000 0.758 94 L CB -0.496 41.555 42.059 -0.013 0.000 0.890 94 L HN 0.360 nan 8.230 nan 0.000 0.433 95 D N -0.892 119.537 120.400 0.049 0.000 2.371 95 D HA 0.006 4.646 4.640 -0.000 0.000 0.221 95 D C 1.741 178.067 176.300 0.044 0.000 0.986 95 D CA 1.111 55.135 54.000 0.039 0.000 0.899 95 D CB 0.013 40.815 40.800 0.003 0.000 0.902 95 D HN 0.529 nan 8.370 nan 0.000 0.530 96 G N -0.558 108.286 108.800 0.074 0.000 3.377 96 G HA2 0.043 4.003 3.960 -0.000 0.000 0.257 96 G HA3 0.043 4.003 3.960 -0.000 0.000 0.257 96 G C -0.118 174.847 174.900 0.108 0.000 1.038 96 G CA -0.422 44.712 45.100 0.057 0.000 0.809 96 G HN 0.073 nan 8.290 nan 0.000 0.526 97 F N 2.372 122.327 119.950 0.009 0.000 2.424 97 F HA 0.497 5.024 4.527 -0.000 0.000 0.356 97 F C -0.153 175.659 175.800 0.020 0.000 1.110 97 F CA -1.658 56.359 58.000 0.028 0.000 1.161 97 F CB 1.015 40.037 39.000 0.036 0.000 1.115 97 F HN -0.019 nan 8.300 nan 0.000 0.507 98 N N 8.450 126.781 118.700 -0.615 0.000 2.527 98 N HA 0.333 5.073 4.740 -0.000 0.000 0.236 98 N C -2.237 172.834 175.510 -0.731 0.000 0.999 98 N CA -2.591 50.163 53.050 -0.494 0.000 0.935 98 N CB 1.228 39.538 38.487 -0.295 0.000 1.132 98 N HN 0.262 nan 8.380 nan 0.000 0.511 99 P HA -0.029 nan 4.420 nan 0.000 0.234 99 P C 0.294 177.488 177.300 -0.176 0.000 1.167 99 P CA 1.041 63.983 63.100 -0.263 0.000 0.763 99 P CB 0.327 32.062 31.700 0.059 0.000 0.835 100 Q N -1.016 118.674 119.800 -0.184 0.000 2.360 100 Q HA 0.022 4.362 4.340 -0.000 0.000 0.202 100 Q C 0.307 176.215 176.000 -0.154 0.000 0.915 100 Q CA -0.268 55.455 55.803 -0.134 0.000 0.943 100 Q CB -0.185 28.491 28.738 -0.102 0.000 1.064 100 Q HN 0.173 nan 8.270 nan 0.000 0.511 101 D N 2.495 122.770 120.400 -0.210 0.000 2.570 101 D HA -0.072 4.568 4.640 -0.000 0.000 0.243 101 D C -1.429 174.782 176.300 -0.149 0.000 1.171 101 D CA -1.190 52.704 54.000 -0.176 0.000 0.879 101 D CB 1.015 41.689 40.800 -0.210 0.000 1.143 101 D HN 0.050 nan 8.370 nan 0.000 0.511 102 P HA -0.114 nan 4.420 nan 0.000 0.228 102 P C 0.875 178.109 177.300 -0.111 0.000 1.151 102 P CA 0.701 63.744 63.100 -0.096 0.000 0.770 102 P CB 0.083 31.744 31.700 -0.065 0.000 0.786 103 A N -0.114 122.643 122.820 -0.104 0.000 2.067 103 A HA -0.112 4.208 4.320 -0.000 0.000 0.219 103 A C 2.225 179.647 177.584 -0.270 0.000 1.158 103 A CA 0.880 52.853 52.037 -0.108 0.000 0.661 103 A CB -1.332 17.692 19.000 0.040 0.000 0.801 103 A HN 0.157 nan 8.150 nan 0.000 0.452 104 I N -0.573 119.788 120.570 -0.349 0.000 2.202 104 I HA -0.178 3.992 4.170 -0.000 0.000 0.242 104 I C 2.378 178.185 176.117 -0.516 0.000 1.091 104 I CA 1.073 62.004 61.300 -0.615 0.000 1.368 104 I CB -0.316 37.355 38.000 -0.549 0.000 1.058 104 I HN 0.255 nan 8.210 nan 0.000 0.410 105 E N 0.998 121.023 120.200 -0.291 0.000 2.118 105 E HA -0.210 4.140 4.350 -0.000 0.000 0.195 105 E C 2.290 178.735 176.600 -0.258 0.000 0.992 105 E CA 1.184 57.473 56.400 -0.185 0.000 0.804 105 E CB -0.210 29.459 29.700 -0.052 0.000 0.741 105 E HN 0.499 nan 8.360 nan 0.000 0.458 106 R N 0.346 120.696 120.500 -0.251 0.000 2.092 106 R HA -0.013 4.327 4.340 -0.000 0.000 0.231 106 R C 2.356 178.457 176.300 -0.331 0.000 1.119 106 R CA 1.087 57.026 56.100 -0.268 0.000 0.970 106 R CB -0.265 29.907 30.300 -0.215 0.000 0.864 106 R HN 0.085 nan 8.270 nan 0.000 0.440 107 A N 1.252 123.864 122.820 -0.348 0.000 1.930 107 A HA -0.108 4.212 4.320 -0.000 0.000 0.217 107 A C 2.149 179.584 177.584 -0.248 0.000 1.175 107 A CA 1.048 52.917 52.037 -0.279 0.000 0.627 107 A CB -0.469 18.328 19.000 -0.338 0.000 0.815 107 A HN 0.159 nan 8.150 nan 0.000 0.443 108 L N -0.675 120.328 121.223 -0.367 0.000 2.012 108 L HA -0.217 4.123 4.340 -0.000 0.000 0.210 108 L C 2.999 179.424 176.870 -0.741 0.000 1.073 108 L CA 1.186 55.775 54.840 -0.418 0.000 0.748 108 L CB -0.502 41.311 42.059 -0.409 0.000 0.891 108 L HN 0.420 nan 8.230 nan 0.000 0.431 109 A N -0.156 122.084 122.820 -0.967 0.000 2.178 109 A HA -0.073 4.247 4.320 -0.000 0.000 0.218 109 A C 2.125 179.420 177.584 -0.483 0.000 1.157 109 A CA 1.484 52.961 52.037 -0.932 0.000 0.689 109 A CB -0.819 17.802 19.000 -0.632 0.000 0.787 109 A HN 0.481 nan 8.150 nan 0.000 0.465 110 G N -2.351 106.261 108.800 -0.314 0.000 3.088 110 G HA2 0.386 4.346 3.960 -0.000 0.000 0.217 110 G HA3 0.386 4.346 3.960 -0.000 0.000 0.217 110 G C 1.051 176.026 174.900 0.125 0.000 1.159 110 G CA 0.432 45.500 45.100 -0.053 0.000 0.760 110 G HN 1.544 nan 8.290 nan 0.000 0.550 111 G N -0.987 107.756 108.800 -0.096 0.000 2.141 111 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.242 111 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.242 111 G C 0.104 175.080 174.900 0.127 0.000 0.982 111 G CA 0.082 45.165 45.100 -0.030 0.000 0.662 111 G HN 0.712 nan 8.290 nan 0.000 0.527 112 V N 1.533 121.556 119.914 0.182 0.000 2.407 112 V HA 0.608 4.728 4.120 -0.000 0.000 0.278 112 V C 1.392 177.639 176.094 0.254 0.000 1.037 112 V CA 0.745 63.203 62.300 0.264 0.000 0.900 112 V CB 1.259 33.258 31.823 0.294 0.000 0.983 112 V HN 0.670 nan 8.190 nan 0.000 0.459 113 T N -0.174 114.449 114.554 0.116 0.000 2.964 113 T HA 0.197 4.547 4.350 -0.000 0.000 0.249 113 T C 0.640 175.145 174.700 -0.325 0.000 1.000 113 T CA -0.014 62.089 62.100 0.005 0.000 0.992 113 T CB 0.434 69.303 68.868 0.001 0.000 1.087 113 T HN 0.471 nan 8.240 nan 0.000 0.489 114 S N 1.117 116.658 115.700 -0.265 0.000 2.521 114 S HA 0.797 5.267 4.470 -0.000 0.000 0.295 114 S C -0.551 173.882 174.600 -0.278 0.000 1.098 114 S CA -0.602 57.392 58.200 -0.342 0.000 0.999 114 S CB 2.196 65.297 63.200 -0.166 0.000 1.034 114 S HN 0.699 nan 8.310 nan 0.000 0.483 118 V N 4.948 124.817 119.914 -0.075 0.000 3.120 118 V HA 0.684 4.804 4.120 -0.000 0.000 0.303 118 V C -2.506 173.676 176.094 0.147 0.000 1.238 118 V CA -1.787 60.480 62.300 -0.055 0.000 1.008 118 V CB 3.303 34.967 31.823 -0.265 0.000 1.064 118 V HN 0.784 nan 8.190 nan 0.000 0.434 119 P HA 0.300 nan 4.420 nan 0.000 0.272 119 P C 0.106 177.554 177.300 0.247 0.000 1.240 119 P CA 0.391 63.592 63.100 0.168 0.000 0.791 119 P CB 0.555 32.297 31.700 0.069 0.000 0.978 120 G N 0.041 108.929 108.800 0.146 0.000 2.514 120 G HA2 0.241 4.201 3.960 -0.000 0.000 0.245 120 G HA3 0.241 4.201 3.960 -0.000 0.000 0.245 120 G C 0.379 175.332 174.900 0.089 0.000 1.488 120 G CA -0.006 45.130 45.100 0.060 0.000 1.063 120 G HN 0.515 nan 8.290 nan 0.000 0.557 121 S N -1.458 114.232 115.700 -0.017 0.000 2.602 121 S HA 0.461 4.931 4.470 -0.000 0.000 0.240 121 S C 1.685 176.214 174.600 -0.118 0.000 0.992 121 S CA 0.687 58.774 58.200 -0.188 0.000 0.971 121 S CB 0.799 63.574 63.200 -0.710 0.000 0.855 121 S HN 0.831 nan 8.310 nan 0.000 0.481 122 A N 2.221 125.027 122.820 -0.023 0.000 1.933 122 A HA 0.068 4.388 4.320 -0.000 0.000 0.218 122 A C 0.794 178.445 177.584 0.112 0.000 1.175 122 A CA 0.903 52.951 52.037 0.017 0.000 0.628 122 A CB -0.387 18.622 19.000 0.013 0.000 0.814 122 A HN 0.549 nan 8.150 nan 0.000 0.444 123 N N -0.947 117.799 118.700 0.076 0.000 2.399 123 N HA 0.391 5.131 4.740 -0.000 0.000 0.295 123 N C -2.281 173.189 175.510 -0.068 0.000 1.048 123 N CA -2.208 50.880 53.050 0.064 0.000 0.886 123 N CB 1.265 39.757 38.487 0.008 0.000 1.185 123 N HN -0.151 nan 8.380 nan 0.000 0.487 124 P HA -0.135 nan 4.420 nan 0.000 0.216 124 P C -0.179 176.979 177.300 -0.237 0.000 1.157 124 P CA 1.242 64.195 63.100 -0.244 0.000 0.880 124 P CB 0.417 31.959 31.700 -0.264 0.000 0.791 125 V N -0.677 119.088 119.914 -0.248 0.000 2.349 125 V HA 0.422 4.542 4.120 -0.000 0.000 0.284 125 V C 1.317 177.291 176.094 -0.200 0.000 1.014 125 V CA 0.034 62.170 62.300 -0.274 0.000 0.826 125 V CB 0.853 32.363 31.823 -0.521 0.000 1.009 125 V HN 0.065 nan 8.190 nan 0.000 0.431 126 G N 2.522 111.252 108.800 -0.116 0.000 2.595 126 G HA2 0.544 4.504 3.960 -0.000 0.000 0.213 126 G HA3 0.544 4.504 3.960 -0.000 0.000 0.213 126 G C 0.645 175.502 174.900 -0.072 0.000 1.141 126 G CA 0.680 45.741 45.100 -0.064 0.000 0.806 126 G HN 1.345 nan 8.290 nan 0.000 0.530 127 G N -1.059 107.693 108.800 -0.081 0.000 2.331 127 G HA2 0.095 4.055 3.960 -0.000 0.000 0.402 127 G HA3 0.095 4.055 3.960 -0.000 0.000 0.402 127 G C -1.219 173.656 174.900 -0.043 0.000 1.275 127 G CA -0.886 44.167 45.100 -0.079 0.000 1.003 127 G HN 0.391 nan 8.290 nan 0.000 0.500 128 Q N -0.380 119.395 119.800 -0.042 0.000 2.241 128 Q HA 0.567 4.907 4.340 -0.000 0.000 0.254 128 Q C 0.588 176.572 176.000 -0.025 0.000 0.917 128 Q CA -0.079 55.708 55.803 -0.026 0.000 0.919 128 Q CB 1.862 30.585 28.738 -0.024 0.000 1.237 128 Q HN 0.970 nan 8.270 nan 0.000 0.434 129 G N 0.654 109.438 108.800 -0.027 0.000 2.462 129 G HA2 0.579 4.539 3.960 -0.000 0.000 0.319 129 G HA3 0.579 4.539 3.960 -0.000 0.000 0.319 129 G C -0.798 174.067 174.900 -0.058 0.000 1.171 129 G CA -0.360 44.711 45.100 -0.048 0.000 0.920 129 G HN 0.472 nan 8.290 nan 0.000 0.499 130 S N -1.295 114.351 115.700 -0.089 0.000 2.536 130 S HA 0.463 4.933 4.470 -0.000 0.000 0.271 130 S C -0.569 173.947 174.600 -0.140 0.000 1.134 130 S CA -0.506 57.632 58.200 -0.104 0.000 0.897 130 S CB 2.010 65.138 63.200 -0.121 0.000 1.094 130 S HN 0.545 nan 8.310 nan 0.000 0.473 131 V N 3.951 123.790 119.914 -0.123 0.000 2.465 131 V HA 0.582 4.702 4.120 -0.000 0.000 0.279 131 V C 0.073 176.056 176.094 -0.186 0.000 1.045 131 V CA -0.390 61.823 62.300 -0.146 0.000 0.938 131 V CB 0.330 32.092 31.823 -0.102 0.000 0.986 131 V HN 0.794 nan 8.190 nan 0.000 0.467 132 I N 1.903 122.317 120.570 -0.260 0.000 3.042 132 I HA 0.761 4.931 4.170 -0.000 0.000 0.310 132 I C -0.728 175.176 176.117 -0.355 0.000 1.117 132 I CA -1.108 60.015 61.300 -0.295 0.000 1.003 132 I CB 2.486 40.235 38.000 -0.419 0.000 1.228 132 I HN 0.379 nan 8.210 nan 0.000 0.443 133 K N 1.882 122.106 120.400 -0.293 0.000 2.340 133 K HA 0.521 4.841 4.320 -0.000 0.000 0.244 133 K C -1.439 175.024 176.600 -0.228 0.000 0.973 133 K CA -0.659 55.412 56.287 -0.361 0.000 0.828 133 K CB 1.880 34.275 32.500 -0.175 0.000 1.226 133 K HN 0.417 nan 8.250 nan 0.000 0.437 134 F N 2.310 122.273 119.950 0.021 0.000 2.640 134 F HA 0.209 4.736 4.527 -0.000 0.000 0.354 134 F C 1.215 177.040 175.800 0.041 0.000 1.213 134 F CA -0.570 57.460 58.000 0.051 0.000 1.314 134 F CB -0.395 38.626 39.000 0.035 0.000 1.679 134 F HN 0.426 nan 8.300 nan 0.000 0.622 135 R N -1.322 119.283 120.500 0.174 0.000 2.365 135 R HA 0.374 4.714 4.340 -0.000 0.000 0.223 135 R C 0.406 176.767 176.300 0.102 0.000 0.899 135 R CA -0.039 56.130 56.100 0.114 0.000 1.059 135 R CB 0.661 31.002 30.300 0.067 0.000 1.086 135 R HN 0.228 nan 8.270 nan 0.000 0.522 136 S N 0.117 115.890 115.700 0.122 0.000 2.565 136 S HA 0.233 4.703 4.470 -0.000 0.000 0.274 136 S C 0.050 174.714 174.600 0.106 0.000 1.144 136 S CA -0.978 57.277 58.200 0.093 0.000 0.849 136 S CB 1.114 64.359 63.200 0.075 0.000 1.103 136 S HN 0.336 nan 8.310 nan 0.000 0.455 137 I N 1.090 121.703 120.570 0.071 0.000 3.564 137 I HA 0.471 4.641 4.170 -0.000 0.000 0.294 137 I C -0.123 176.033 176.117 0.065 0.000 1.289 137 I CA 0.380 61.715 61.300 0.058 0.000 1.325 137 I CB -0.130 37.884 38.000 0.023 0.000 1.039 137 I HN 0.399 nan 8.210 nan 0.000 0.474 138 I N 1.256 121.869 120.570 0.071 0.000 2.297 138 I HA 0.099 4.269 4.170 -0.000 0.000 0.291 138 I C 1.260 177.436 176.117 0.097 0.000 1.033 138 I CA -0.337 61.005 61.300 0.069 0.000 1.253 138 I CB 1.916 39.945 38.000 0.048 0.000 1.396 138 I HN -0.031 nan 8.210 nan 0.000 0.476 139 V N 5.752 125.741 119.914 0.125 0.000 2.392 139 V HA -0.263 3.857 4.120 -0.000 0.000 0.249 139 V C 2.223 178.358 176.094 0.068 0.000 1.059 139 V CA 2.283 64.676 62.300 0.155 0.000 1.051 139 V CB -0.184 31.772 31.823 0.221 0.000 0.658 139 V HN 0.903 nan 8.190 nan 0.000 0.455 140 E N -0.238 119.993 120.200 0.051 0.000 2.130 140 E HA -0.275 4.075 4.350 -0.000 0.000 0.196 140 E C 2.093 178.704 176.600 0.018 0.000 0.998 140 E CA 1.952 58.368 56.400 0.026 0.000 0.806 140 E CB -0.097 29.618 29.700 0.025 0.000 0.738 140 E HN 0.739 nan 8.360 nan 0.000 0.459 141 E N -1.130 119.088 120.200 0.030 0.000 2.427 141 E HA -0.077 4.273 4.350 -0.000 0.000 0.196 141 E C 1.624 178.235 176.600 0.019 0.000 1.028 141 E CA 0.288 56.703 56.400 0.026 0.000 0.864 141 E CB 0.184 29.905 29.700 0.035 0.000 0.813 141 E HN 0.347 nan 8.360 nan 0.000 0.514 142 C N 0.679 119.990 119.300 0.019 0.000 2.533 142 C HA 0.159 4.619 4.460 -0.000 0.000 0.272 142 C C 1.242 176.190 174.990 -0.071 0.000 1.371 142 C CA -0.553 58.459 59.018 -0.009 0.000 1.758 142 C CB -0.426 27.325 27.740 0.020 0.000 1.972 142 C HN 0.262 nan 8.230 nan 0.000 0.522 143 I N 1.409 121.942 120.570 -0.062 0.000 2.668 143 I HA 0.000 4.170 4.170 -0.000 0.000 0.285 143 I C 1.086 177.164 176.117 -0.066 0.000 1.168 143 I CA 0.322 61.574 61.300 -0.080 0.000 1.424 143 I CB 0.748 38.715 38.000 -0.055 0.000 1.377 143 I HN 0.036 nan 8.210 nan 0.000 0.560 144 V N 5.044 124.909 119.914 -0.082 0.000 2.690 144 V HA 0.089 4.209 4.120 -0.000 0.000 0.240 144 V C 0.570 176.635 176.094 -0.048 0.000 1.078 144 V CA 0.634 62.898 62.300 -0.061 0.000 1.102 144 V CB -0.168 31.612 31.823 -0.071 0.000 0.800 144 V HN 0.704 nan 8.190 nan 0.000 0.479 145 K N 0.910 121.275 120.400 -0.058 0.000 2.637 145 K HA 0.458 4.778 4.320 -0.000 0.000 0.248 145 K C -2.121 174.451 176.600 -0.047 0.000 0.971 145 K CA -0.342 55.920 56.287 -0.042 0.000 0.858 145 K CB 1.669 34.148 32.500 -0.035 0.000 1.170 145 K HN 0.249 nan 8.250 nan 0.000 0.443 146 D N 4.679 125.058 120.400 -0.034 0.000 2.855 146 D HA 0.384 5.024 4.640 -0.000 0.000 0.241 146 D C -2.295 173.996 176.300 -0.014 0.000 1.277 146 D CA -1.220 52.761 54.000 -0.031 0.000 0.918 146 D CB 1.456 42.233 40.800 -0.037 0.000 1.462 146 D HN 0.288 nan 8.370 nan 0.000 0.559 147 P HA 0.436 nan 4.420 nan 0.000 0.276 147 P C -0.493 176.799 177.300 -0.013 0.000 1.252 147 P CA -0.620 62.471 63.100 -0.014 0.000 0.802 147 P CB 1.767 33.465 31.700 -0.003 0.000 1.035 148 A N -0.152 122.657 122.820 -0.019 0.000 2.419 148 A HA 0.594 4.913 4.320 -0.000 0.000 0.233 148 A C 0.755 178.340 177.584 0.001 0.000 1.217 148 A CA 0.704 52.733 52.037 -0.013 0.000 0.944 148 A CB -0.034 18.948 19.000 -0.030 0.000 1.025 148 A HN 0.860 nan 8.150 nan 0.000 0.524 149 G N -1.197 107.605 108.800 0.003 0.000 2.338 149 G HA2 0.474 4.434 3.960 -0.000 0.000 0.295 149 G HA3 0.474 4.434 3.960 -0.000 0.000 0.295 149 G C -2.148 172.761 174.900 0.015 0.000 1.461 149 G CA -0.481 44.630 45.100 0.018 0.000 0.817 149 G HN 0.708 nan 8.290 nan 0.000 0.556 150 L N 0.581 121.819 121.223 0.025 0.000 2.316 150 L HA 0.802 5.141 4.340 -0.000 0.000 0.280 150 L C 0.263 177.158 176.870 0.042 0.000 1.006 150 L CA -0.930 53.921 54.840 0.018 0.000 0.836 150 L CB 1.265 43.334 42.059 0.017 0.000 1.221 150 L HN 0.681 nan 8.230 nan 0.000 0.418 154 F N 1.018 121.117 119.950 0.249 0.000 2.639 154 F HA 0.858 5.385 4.527 -0.000 0.000 0.339 154 F C 1.156 177.088 175.800 0.221 0.000 1.071 154 F CA 0.576 58.691 58.000 0.191 0.000 0.994 154 F CB 1.943 41.034 39.000 0.152 0.000 1.341 154 F HN 1.808 nan 8.300 nan 0.000 0.498 155 G N 0.843 109.857 108.800 0.357 0.000 2.527 155 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.227 155 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.227 155 G C 0.614 175.632 174.900 0.197 0.000 1.291 155 G CA 0.123 45.381 45.100 0.263 0.000 0.904 155 G HN 0.638 nan 8.290 nan 0.000 0.577 156 E N 0.310 120.618 120.200 0.181 0.000 2.118 156 E HA -0.160 4.189 4.350 -0.000 0.000 0.195 156 E C 2.417 179.079 176.600 0.103 0.000 0.992 156 E CA 1.399 57.871 56.400 0.121 0.000 0.804 156 E CB -0.145 29.613 29.700 0.096 0.000 0.741 156 E HN 0.395 nan 8.360 nan 0.000 0.458 157 N N 0.178 118.952 118.700 0.123 0.000 2.039 157 N HA -0.101 4.639 4.740 -0.000 0.000 0.193 157 N C -1.043 174.493 175.510 0.043 0.000 1.044 157 N CA 1.254 54.338 53.050 0.056 0.000 0.847 157 N CB -1.493 36.996 38.487 0.004 0.000 1.030 157 N HN 0.197 nan 8.380 nan 0.000 0.422 158 P HA -0.146 nan 4.420 nan 0.000 0.217 158 P C 1.119 178.515 177.300 0.161 0.000 1.150 158 P CA 1.745 64.914 63.100 0.115 0.000 0.832 158 P CB -0.050 31.682 31.700 0.053 0.000 0.787 159 K N 0.158 120.623 120.400 0.109 0.000 2.217 159 K HA -0.082 4.238 4.320 -0.000 0.000 0.202 159 K C 2.385 179.027 176.600 0.071 0.000 1.051 159 K CA 0.627 56.975 56.287 0.102 0.000 0.952 159 K CB -0.391 32.159 32.500 0.084 0.000 0.736 159 K HN -0.062 nan 8.250 nan 0.000 0.453 160 R N 1.277 121.803 120.500 0.042 0.000 2.057 160 R HA -0.059 4.281 4.340 -0.000 0.000 0.229 160 R C 2.036 178.309 176.300 -0.045 0.000 1.136 160 R CA 1.277 57.380 56.100 0.005 0.000 0.952 160 R CB -0.291 30.009 30.300 -0.001 0.000 0.848 160 R HN 0.098 nan 8.270 nan 0.000 0.430 161 V N 0.523 120.381 119.914 -0.093 0.000 2.255 161 V HA -0.275 3.844 4.120 -0.000 0.000 0.247 161 V C 1.995 177.829 176.094 -0.434 0.000 1.051 161 V CA 1.903 64.035 62.300 -0.281 0.000 1.018 161 V CB -0.611 30.992 31.823 -0.367 0.000 0.641 161 V HN 0.373 nan 8.190 nan 0.000 0.445 162 Y N 0.788 121.080 120.300 -0.013 0.000 2.365 162 Y HA 0.121 4.671 4.550 -0.000 0.000 0.293 162 Y C 2.509 178.405 175.900 -0.007 0.000 1.119 162 Y CA 0.928 59.020 58.100 -0.014 0.000 1.203 162 Y CB -1.088 37.360 38.460 -0.020 0.000 1.026 162 Y HN 0.243 nan 8.280 nan 0.000 0.549 163 G N 0.155 109.005 108.800 0.084 0.000 2.476 163 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.218 163 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.218 163 G C 1.454 176.361 174.900 0.010 0.000 1.164 163 G CA 1.209 46.337 45.100 0.046 0.000 0.768 163 G HN 0.409 nan 8.290 nan 0.000 0.560 164 E N -0.126 120.058 120.200 -0.027 0.000 2.204 164 E HA -0.037 4.313 4.350 -0.000 0.000 0.195 164 E C 2.533 179.110 176.600 -0.038 0.000 0.990 164 E CA 0.321 56.697 56.400 -0.040 0.000 0.821 164 E CB -0.027 29.635 29.700 -0.062 0.000 0.750 164 E HN 0.334 nan 8.360 nan 0.000 0.477 165 R N 0.392 120.865 120.500 -0.044 0.000 2.310 165 R HA 0.043 4.383 4.340 -0.000 0.000 0.202 165 R C 0.004 176.320 176.300 0.027 0.000 0.933 165 R CA 0.086 56.176 56.100 -0.015 0.000 1.054 165 R CB 0.201 30.490 30.300 -0.018 0.000 0.985 165 R HN -0.118 nan 8.270 nan 0.000 0.489 166 K N 1.026 121.444 120.400 0.030 0.000 3.125 166 K HA -0.223 4.097 4.320 -0.000 0.000 0.268 166 K C -0.820 175.813 176.600 0.054 0.000 1.078 166 K CA 0.806 57.115 56.287 0.036 0.000 0.775 166 K CB -1.179 31.334 32.500 0.023 0.000 1.253 166 K HN 0.403 nan 8.250 nan 0.000 0.486 167 Q N -0.668 119.184 119.800 0.087 0.000 2.379 167 Q HA 0.428 4.768 4.340 -0.000 0.000 0.278 167 Q C -0.974 175.084 176.000 0.098 0.000 1.068 167 Q CA -0.769 55.093 55.803 0.098 0.000 0.816 167 Q CB 1.618 30.450 28.738 0.157 0.000 1.387 167 Q HN 0.131 nan 8.270 nan 0.000 0.413 168 T N 4.809 119.385 114.554 0.038 0.000 2.902 168 T HA 0.230 4.580 4.350 -0.000 0.000 0.301 168 T C -2.343 172.323 174.700 -0.058 0.000 1.012 168 T CA -0.450 61.653 62.100 0.004 0.000 1.151 168 T CB 0.371 69.229 68.868 -0.018 0.000 0.946 168 T HN 0.397 nan 8.240 nan 0.000 0.542 169 P HA 0.317 nan 4.420 nan 0.000 0.292 169 P C 0.025 177.381 177.300 0.094 0.000 1.283 169 P CA -0.711 62.407 63.100 0.031 0.000 0.835 169 P CB 1.452 33.156 31.700 0.006 0.000 1.017 170 S N 0.369 116.112 115.700 0.071 0.000 2.603 170 S HA 0.221 4.691 4.470 -0.000 0.000 0.232 170 S C 0.533 175.168 174.600 0.059 0.000 1.016 170 S CA -0.013 58.228 58.200 0.069 0.000 0.976 170 S CB -0.532 62.700 63.200 0.055 0.000 0.921 170 S HN 0.642 nan 8.310 nan 0.000 0.516 171 T N -1.214 113.376 114.554 0.060 0.000 2.841 171 T HA 0.602 4.952 4.350 -0.000 0.000 0.296 171 T C -0.374 174.371 174.700 0.074 0.000 1.166 171 T CA -1.041 61.096 62.100 0.062 0.000 1.007 171 T CB 1.640 70.541 68.868 0.054 0.000 1.253 171 T HN 0.176 nan 8.240 nan 0.000 0.511 175 T N 2.147 116.722 114.554 0.036 0.000 2.684 175 T HA 0.042 4.392 4.350 -0.000 0.000 0.267 175 T C 2.729 177.432 174.700 0.004 0.000 1.036 175 T CA 2.427 64.519 62.100 -0.014 0.000 1.148 175 T CB -0.394 68.467 68.868 -0.011 0.000 0.863 175 T HN 0.561 nan 8.240 nan 0.000 0.436 176 A N 1.439 124.335 122.820 0.128 0.000 1.902 176 A HA 0.096 4.415 4.320 -0.000 0.000 0.217 176 A C 2.656 180.343 177.584 0.171 0.000 1.181 176 A CA 1.938 54.109 52.037 0.224 0.000 0.623 176 A CB -1.464 17.697 19.000 0.269 0.000 0.818 176 A HN 0.515 nan 8.150 nan 0.000 0.443 177 G N -0.509 108.363 108.800 0.120 0.000 2.476 177 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.218 177 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.218 177 G C 1.537 176.485 174.900 0.080 0.000 1.164 177 G CA 1.361 46.522 45.100 0.101 0.000 0.768 177 G HN 0.336 nan 8.290 nan 0.000 0.560 178 V N 0.850 120.782 119.914 0.029 0.000 2.343 178 V HA -0.130 3.990 4.120 -0.000 0.000 0.247 178 V C 2.796 178.897 176.094 0.011 0.000 1.051 178 V CA 1.647 63.936 62.300 -0.019 0.000 1.036 178 V CB -0.297 31.463 31.823 -0.104 0.000 0.654 178 V HN 0.406 nan 8.190 nan 0.000 0.451 179 I N -0.886 119.710 120.570 0.044 0.000 2.202 179 I HA -0.193 3.977 4.170 -0.000 0.000 0.242 179 I C 2.747 179.012 176.117 0.247 0.000 1.091 179 I CA 1.411 62.789 61.300 0.130 0.000 1.368 179 I CB -0.458 37.647 38.000 0.174 0.000 1.058 179 I HN 0.147 nan 8.210 nan 0.000 0.410 180 R N 0.493 121.166 120.500 0.287 0.000 2.096 180 R HA -0.258 4.082 4.340 -0.000 0.000 0.240 180 R C 1.989 178.432 176.300 0.237 0.000 1.139 180 R CA 2.317 58.635 56.100 0.362 0.000 0.952 180 R CB -0.588 29.947 30.300 0.392 0.000 0.854 180 R HN 0.381 nan 8.270 nan 0.000 0.436 181 D N -0.306 120.191 120.400 0.161 0.000 2.117 181 D HA -0.217 4.423 4.640 -0.000 0.000 0.197 181 D C 1.806 178.134 176.300 0.046 0.000 0.987 181 D CA 1.058 55.121 54.000 0.105 0.000 0.829 181 D CB -0.141 40.702 40.800 0.071 0.000 0.961 181 D HN 0.216 nan 8.370 nan 0.000 0.460 182 Y N -0.046 120.170 120.300 -0.140 0.000 2.114 182 Y HA -0.174 4.375 4.550 -0.000 0.000 0.284 182 Y C 1.716 177.395 175.900 -0.369 0.000 1.143 182 Y CA 1.626 59.545 58.100 -0.301 0.000 1.135 182 Y CB -0.756 37.427 38.460 -0.461 0.000 0.980 182 Y HN -0.016 nan 8.280 nan 0.000 0.499 183 F N 0.082 119.721 119.950 -0.517 0.000 2.293 183 F HA -0.127 4.400 4.527 -0.000 0.000 0.300 183 F C 2.425 177.968 175.800 -0.428 0.000 1.086 183 F CA 1.688 59.216 58.000 -0.787 0.000 1.375 183 F CB -1.016 37.193 39.000 -1.319 0.000 1.045 183 F HN -0.007 nan 8.300 nan 0.000 0.516 184 T N -0.169 114.391 114.554 0.009 0.000 2.708 184 T HA -0.200 4.150 4.350 -0.000 0.000 0.266 184 T C 1.958 176.699 174.700 0.068 0.000 1.037 184 T CA 1.483 63.701 62.100 0.196 0.000 1.146 184 T CB -0.205 68.795 68.868 0.221 0.000 0.865 184 T HN 0.196 nan 8.240 nan 0.000 0.435 185 K N 0.621 121.001 120.400 -0.033 0.000 2.057 185 K HA -0.033 4.287 4.320 -0.000 0.000 0.207 185 K C 2.328 178.885 176.600 -0.072 0.000 1.049 185 K CA 0.851 57.111 56.287 -0.045 0.000 0.931 185 K CB -0.499 31.958 32.500 -0.072 0.000 0.714 185 K HN 0.124 nan 8.250 nan 0.000 0.440 186 V N 2.225 121.994 119.914 -0.241 0.000 2.282 186 V HA -0.305 3.815 4.120 -0.000 0.000 0.249 186 V C 2.110 178.237 176.094 0.055 0.000 1.057 186 V CA 1.765 63.957 62.300 -0.181 0.000 1.032 186 V CB -0.436 31.173 31.823 -0.356 0.000 0.645 186 V HN 0.311 nan 8.190 nan 0.000 0.447 187 K N -0.017 120.436 120.400 0.088 0.000 2.057 187 K HA -0.184 4.136 4.320 -0.000 0.000 0.207 187 K C 2.049 178.714 176.600 0.109 0.000 1.049 187 K CA 1.547 57.913 56.287 0.131 0.000 0.931 187 K CB -0.430 32.182 32.500 0.187 0.000 0.714 187 K HN 0.447 nan 8.250 nan 0.000 0.440 188 N N 0.555 119.320 118.700 0.109 0.000 2.084 188 N HA -0.157 4.583 4.740 -0.000 0.000 0.190 188 N C 1.041 176.626 175.510 0.124 0.000 1.030 188 N CA 0.803 53.915 53.050 0.103 0.000 0.849 188 N CB -0.543 38.006 38.487 0.102 0.000 1.012 188 N HN 0.211 nan 8.380 nan 0.000 0.423 192 K N 2.006 122.342 120.400 -0.106 0.000 2.057 192 K HA -0.023 4.297 4.320 -0.000 0.000 0.206 192 K C 1.723 178.171 176.600 -0.253 0.000 1.050 192 K CA 1.264 57.507 56.287 -0.074 0.000 0.935 192 K CB 0.038 32.588 32.500 0.082 0.000 0.715 192 K HN 0.048 nan 8.250 nan 0.000 0.439 193 K N 1.044 121.055 120.400 -0.649 0.000 2.057 193 K HA -0.204 4.116 4.320 -0.000 0.000 0.207 193 K C 2.139 178.506 176.600 -0.388 0.000 1.049 193 K CA 1.854 57.607 56.287 -0.890 0.000 0.931 193 K CB 0.030 31.949 32.500 -0.969 0.000 0.714 193 K HN 0.348 nan 8.250 nan 0.000 0.440 194 E N 0.775 120.823 120.200 -0.252 0.000 2.299 194 E HA -0.135 4.215 4.350 -0.000 0.000 0.193 194 E C 2.011 178.560 176.600 -0.084 0.000 0.998 194 E CA 0.388 56.705 56.400 -0.139 0.000 0.851 194 E CB -0.130 29.508 29.700 -0.103 0.000 0.795 194 E HN 0.103 nan 8.360 nan 0.000 0.492 195 L N 1.476 122.655 121.223 -0.073 0.000 2.131 195 L HA -0.003 4.337 4.340 -0.000 0.000 0.210 195 L C 2.358 179.219 176.870 -0.014 0.000 1.092 195 L CA 1.981 56.803 54.840 -0.030 0.000 0.759 195 L CB -0.514 41.539 42.059 -0.011 0.000 0.903 195 L HN 0.221 nan 8.230 nan 0.000 0.435 196 A N -1.178 121.632 122.820 -0.017 0.000 1.968 196 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 196 A C 2.244 179.827 177.584 -0.001 0.000 1.169 196 A CA 1.395 53.446 52.037 0.022 0.000 0.638 196 A CB -0.504 18.553 19.000 0.096 0.000 0.812 196 A HN 0.568 nan 8.150 nan 0.000 0.446 197 Q N 0.682 120.459 119.800 -0.037 0.000 2.046 197 Q HA -0.194 4.146 4.340 -0.000 0.000 0.200 197 Q C 1.902 177.892 176.000 -0.017 0.000 0.975 197 Q CA 2.281 58.065 55.803 -0.032 0.000 0.836 197 Q CB -0.212 28.495 28.738 -0.052 0.000 0.896 197 Q HN 0.700 nan 8.270 nan 0.000 0.428 198 K N 0.005 120.394 120.400 -0.018 0.000 2.366 198 K HA 0.014 4.334 4.320 -0.000 0.000 0.198 198 K C 0.196 176.794 176.600 -0.003 0.000 1.044 198 K CA 0.540 56.821 56.287 -0.011 0.000 0.973 198 K CB 0.073 32.566 32.500 -0.012 0.000 0.767 198 K HN 0.059 nan 8.250 nan 0.000 0.475 199 E N 0.643 120.844 120.200 0.001 0.000 2.622 199 E HA 0.174 4.524 4.350 -0.000 0.000 0.255 199 E C 0.316 176.921 176.600 0.008 0.000 1.313 199 E CA 0.010 56.414 56.400 0.007 0.000 1.011 199 E CB 0.212 29.921 29.700 0.014 0.000 1.173 199 E HN 0.305 nan 8.360 nan 0.000 0.601 200 G N 0.864 109.670 108.800 0.010 0.000 4.126 200 G HA2 0.264 4.224 3.960 -0.000 0.000 0.282 200 G HA3 0.264 4.224 3.960 -0.000 0.000 0.282 200 G C -0.142 174.768 174.900 0.017 0.000 1.221 200 G CA -0.250 44.857 45.100 0.011 0.000 1.527 200 G HN 0.054 nan 8.290 nan 0.000 0.612 201 K N 0.656 121.071 120.400 0.024 0.000 2.471 201 K HA 0.231 4.551 4.320 -0.000 0.000 0.252 201 K C -0.641 175.992 176.600 0.054 0.000 0.938 201 K CA -0.699 55.609 56.287 0.035 0.000 0.796 201 K CB 2.598 35.122 32.500 0.040 0.000 1.161 201 K HN 0.305 nan 8.250 nan 0.000 0.425 202 E N 3.004 123.234 120.200 0.050 0.000 2.324 202 E HA 0.016 4.366 4.350 -0.000 0.000 0.271 202 E C -0.949 175.716 176.600 0.108 0.000 1.028 202 E CA -0.427 56.015 56.400 0.071 0.000 0.890 202 E CB 0.451 30.177 29.700 0.042 0.000 1.004 202 E HN 0.316 nan 8.360 nan 0.000 0.431 203 F N 4.351 124.283 119.950 -0.030 0.000 2.541 203 F HA 0.016 4.543 4.527 -0.000 0.000 0.378 203 F C 1.059 176.845 175.800 -0.022 0.000 1.068 203 F CA 0.374 58.348 58.000 -0.043 0.000 1.199 203 F CB 0.799 39.753 39.000 -0.076 0.000 1.091 203 F HN 0.463 nan 8.300 nan 0.000 0.555 204 T N 0.685 114.925 114.554 -0.523 0.000 3.174 204 T HA 0.267 4.617 4.350 -0.000 0.000 0.269 204 T C 0.347 174.727 174.700 -0.533 0.000 1.017 204 T CA -0.100 61.765 62.100 -0.392 0.000 0.899 204 T CB -0.367 68.376 68.868 -0.208 0.000 1.077 204 T HN 0.712 nan 8.240 nan 0.000 0.552 205 E N 1.303 120.848 120.200 -1.092 0.000 2.887 205 E HA 0.152 4.502 4.350 -0.000 0.000 0.206 205 E C -0.575 175.876 176.600 -0.249 0.000 0.983 205 E CA -0.385 55.617 56.400 -0.663 0.000 1.141 205 E CB 0.690 30.056 29.700 -0.556 0.000 1.061 205 E HN 0.316 nan 8.360 nan 0.000 0.468 206 T N 1.973 116.461 114.554 -0.111 0.000 2.905 206 T HA -0.014 4.336 4.350 -0.000 0.000 0.299 206 T C -0.202 174.642 174.700 0.241 0.000 1.024 206 T CA 0.684 62.989 62.100 0.342 0.000 1.151 206 T CB 0.328 69.336 68.868 0.235 0.000 0.987 206 T HN 0.085 nan 8.240 nan 0.000 0.535 207 D N 2.387 122.947 120.400 0.267 0.000 2.788 207 D HA 0.245 4.885 4.640 -0.000 0.000 0.247 207 D C 0.914 177.175 176.300 -0.065 0.000 1.236 207 D CA -0.737 53.268 54.000 0.009 0.000 0.898 207 D CB 1.040 41.780 40.800 -0.101 0.000 1.401 207 D HN 0.331 nan 8.370 nan 0.000 0.549 208 L N 2.144 123.345 121.223 -0.037 0.000 2.042 208 L HA -0.118 4.222 4.340 -0.000 0.000 0.210 208 L C 1.473 178.325 176.870 -0.031 0.000 1.076 208 L CA 1.127 55.964 54.840 -0.006 0.000 0.749 208 L CB -0.227 41.853 42.059 0.034 0.000 0.893 208 L HN 0.323 nan 8.230 nan 0.000 0.432 212 V N 1.522 121.453 119.914 0.028 0.000 2.343 212 V HA -0.114 4.006 4.120 -0.000 0.000 0.247 212 V C 2.340 178.476 176.094 0.071 0.000 1.051 212 V CA 2.473 64.803 62.300 0.051 0.000 1.036 212 V CB -1.055 30.798 31.823 0.050 0.000 0.654 212 V HN 0.333 nan 8.190 nan 0.000 0.451 213 G N -0.271 108.566 108.800 0.062 0.000 2.422 213 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.218 213 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.218 213 G C 0.863 175.818 174.900 0.091 0.000 1.146 213 G CA 0.604 45.726 45.100 0.036 0.000 0.769 213 G HN 0.613 nan 8.290 nan 0.000 0.547 217 L N 0.472 121.763 121.223 0.113 0.000 2.201 217 L HA -0.012 4.328 4.340 -0.000 0.000 0.212 217 L C 2.324 179.267 176.870 0.121 0.000 1.105 217 L CA 1.619 56.547 54.840 0.146 0.000 0.775 217 L CB -0.402 41.755 42.059 0.164 0.000 0.913 217 L HN 0.350 nan 8.230 nan 0.000 0.440 218 R N 0.295 120.851 120.500 0.094 0.000 2.313 218 R HA -0.005 4.335 4.340 -0.000 0.000 0.199 218 R C 0.308 176.649 176.300 0.069 0.000 0.958 218 R CA -0.020 56.123 56.100 0.072 0.000 1.047 218 R CB 0.119 30.453 30.300 0.057 0.000 0.955 218 R HN 0.181 nan 8.270 nan 0.000 0.481 219 K N -0.359 120.092 120.400 0.084 0.000 3.230 219 K HA -0.236 4.084 4.320 -0.000 0.000 0.285 219 K C 0.425 177.061 176.600 0.060 0.000 1.196 219 K CA 0.768 57.104 56.287 0.081 0.000 0.838 219 K CB -0.813 31.732 32.500 0.076 0.000 1.262 219 K HN 0.201 nan 8.250 nan 0.000 0.492 220 K N 0.265 120.697 120.400 0.053 0.000 2.097 220 K HA -0.025 4.295 4.320 -0.000 0.000 0.205 220 K C 1.227 177.850 176.600 0.039 0.000 1.050 220 K CA 1.515 57.827 56.287 0.042 0.000 0.938 220 K CB -0.106 32.417 32.500 0.039 0.000 0.718 220 K HN 0.495 nan 8.250 nan 0.000 0.442 221 I N -2.024 118.572 120.570 0.043 0.000 2.865 221 I HA 0.428 4.597 4.170 -0.000 0.000 0.302 221 I C -2.976 173.171 176.117 0.049 0.000 1.140 221 I CA -3.002 58.322 61.300 0.039 0.000 1.021 221 I CB 2.399 40.416 38.000 0.029 0.000 1.233 221 I HN -0.245 nan 8.210 nan 0.000 0.427 222 P HA 0.334 nan 4.420 nan 0.000 0.279 222 P C -0.675 176.661 177.300 0.061 0.000 1.252 222 P CA -0.352 62.797 63.100 0.081 0.000 0.811 222 P CB 1.319 33.071 31.700 0.085 0.000 1.035 223 A N 2.947 125.815 122.820 0.079 0.000 2.440 223 A HA 0.367 4.687 4.320 -0.000 0.000 0.251 223 A C 0.555 178.226 177.584 0.144 0.000 1.089 223 A CA -0.150 51.932 52.037 0.075 0.000 0.779 223 A CB -0.108 18.954 19.000 0.103 0.000 1.022 223 A HN 0.395 nan 8.150 nan 0.000 0.492 227 A N 4.951 127.611 122.820 -0.267 0.000 2.540 227 A HA 0.496 4.816 4.320 -0.000 0.000 0.297 227 A C -0.967 176.363 177.584 -0.424 0.000 1.056 227 A CA -0.572 51.330 52.037 -0.225 0.000 0.700 227 A CB 1.259 20.205 19.000 -0.090 0.000 1.280 227 A HN 0.814 nan 8.150 nan 0.000 0.398 228 H N 1.010 120.020 119.070 -0.100 0.000 2.317 228 H HA 0.227 4.783 4.556 -0.000 0.000 0.291 228 H C 0.899 176.189 175.328 -0.064 0.000 0.999 228 H CA 0.496 56.488 56.048 -0.093 0.000 1.336 228 H CB 0.053 29.752 29.762 -0.105 0.000 1.485 228 H HN 0.694 nan 8.280 nan 0.000 0.597 229 R N 1.110 121.666 120.500 0.093 0.000 2.643 229 R HA 0.189 4.529 4.340 -0.000 0.000 0.270 229 R C 1.215 177.495 176.300 -0.032 0.000 1.061 229 R CA 0.425 56.537 56.100 0.019 0.000 1.107 229 R CB 0.750 31.068 30.300 0.031 0.000 0.999 229 R HN 0.263 nan 8.270 nan 0.000 0.460 230 A N 3.309 126.087 122.820 -0.071 0.000 1.908 230 A HA -0.246 4.074 4.320 -0.000 0.000 0.218 230 A C 1.543 179.080 177.584 -0.078 0.000 1.181 230 A CA 1.991 53.971 52.037 -0.096 0.000 0.627 230 A CB -0.536 18.390 19.000 -0.124 0.000 0.818 230 A HN 0.974 nan 8.150 nan 0.000 0.445 231 D N -0.019 120.349 120.400 -0.054 0.000 2.144 231 D HA -0.187 4.453 4.640 -0.000 0.000 0.199 231 D C 0.921 177.185 176.300 -0.059 0.000 0.984 231 D CA 1.424 55.398 54.000 -0.045 0.000 0.834 231 D CB -0.755 40.034 40.800 -0.018 0.000 0.955 231 D HN 0.392 nan 8.370 nan 0.000 0.465 232 D N 0.762 121.135 120.400 -0.045 0.000 2.144 232 D HA -0.054 4.586 4.640 -0.000 0.000 0.199 232 D C 2.419 178.571 176.300 -0.245 0.000 0.984 232 D CA 0.478 54.430 54.000 -0.080 0.000 0.834 232 D CB -0.099 40.726 40.800 0.042 0.000 0.955 232 D HN 0.366 nan 8.370 nan 0.000 0.465 233 I N 0.667 121.135 120.570 -0.171 0.000 2.179 233 I HA -0.247 3.923 4.170 -0.000 0.000 0.242 233 I C 2.451 178.450 176.117 -0.197 0.000 1.088 233 I CA 0.743 61.932 61.300 -0.185 0.000 1.357 233 I CB -0.213 37.715 38.000 -0.120 0.000 1.051 233 I HN -0.031 nan 8.210 nan 0.000 0.409 234 L N -0.019 121.113 121.223 -0.152 0.000 2.046 234 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 234 L C 2.674 179.457 176.870 -0.145 0.000 1.077 234 L CA 1.550 56.316 54.840 -0.125 0.000 0.747 234 L CB -1.025 40.982 42.059 -0.086 0.000 0.896 234 L HN 0.241 nan 8.230 nan 0.000 0.432 235 T N 0.082 114.533 114.554 -0.171 0.000 2.720 235 T HA -0.241 4.109 4.350 -0.000 0.000 0.268 235 T C 2.038 176.560 174.700 -0.297 0.000 1.037 235 T CA 1.434 63.432 62.100 -0.169 0.000 1.144 235 T CB -0.336 68.468 68.868 -0.107 0.000 0.864 235 T HN 0.465 nan 8.240 nan 0.000 0.444 236 A N 1.178 123.618 122.820 -0.634 0.000 1.892 236 A HA -0.099 4.221 4.320 -0.000 0.000 0.218 236 A C 2.298 179.785 177.584 -0.161 0.000 1.188 236 A CA 1.579 53.277 52.037 -0.565 0.000 0.631 236 A CB -0.857 17.793 19.000 -0.583 0.000 0.822 236 A HN 0.545 nan 8.150 nan 0.000 0.447 237 I N -1.202 119.274 120.570 -0.158 0.000 2.226 237 I HA -0.253 3.917 4.170 -0.000 0.000 0.245 237 I C 2.752 178.797 176.117 -0.119 0.000 1.100 237 I CA 1.262 62.494 61.300 -0.114 0.000 1.374 237 I CB -0.391 37.550 38.000 -0.099 0.000 1.057 237 I HN 0.272 nan 8.210 nan 0.000 0.413 238 R N 0.735 121.176 120.500 -0.097 0.000 2.113 238 R HA -0.205 4.135 4.340 -0.000 0.000 0.244 238 R C 2.340 178.604 176.300 -0.061 0.000 1.142 238 R CA 1.835 57.892 56.100 -0.072 0.000 0.953 238 R CB -0.540 29.737 30.300 -0.039 0.000 0.860 238 R HN 0.379 nan 8.270 nan 0.000 0.438 239 I N 0.168 120.746 120.570 0.012 0.000 2.252 239 I HA -0.246 3.924 4.170 -0.000 0.000 0.245 239 I C 2.646 178.668 176.117 -0.158 0.000 1.102 239 I CA 1.145 62.525 61.300 0.133 0.000 1.385 239 I CB -0.445 37.784 38.000 0.381 0.000 1.064 239 I HN 0.196 nan 8.210 nan 0.000 0.414 240 A N 0.640 123.193 122.820 -0.445 0.000 1.892 240 A HA -0.262 4.058 4.320 -0.000 0.000 0.218 240 A C 2.217 179.342 177.584 -0.765 0.000 1.188 240 A CA 2.010 53.333 52.037 -1.190 0.000 0.631 240 A CB -0.637 18.015 19.000 -0.579 0.000 0.822 240 A HN 0.476 nan 8.150 nan 0.000 0.447 241 E N -0.969 119.004 120.200 -0.379 0.000 2.107 241 E HA -0.172 4.178 4.350 -0.000 0.000 0.191 241 E C 2.077 178.530 176.600 -0.245 0.000 0.982 241 E CA 0.940 57.188 56.400 -0.254 0.000 0.809 241 E CB -0.143 29.456 29.700 -0.168 0.000 0.756 241 E HN 0.821 nan 8.360 nan 0.000 0.459 242 E N 0.107 120.156 120.200 -0.252 0.000 2.118 242 E HA -0.183 4.167 4.350 -0.000 0.000 0.195 242 E C 1.030 177.327 176.600 -0.505 0.000 0.992 242 E CA 1.015 57.201 56.400 -0.357 0.000 0.804 242 E CB 0.051 29.523 29.700 -0.381 0.000 0.741 242 E HN 0.213 nan 8.360 nan 0.000 0.458 243 F N -0.735 119.069 119.950 -0.245 0.000 2.678 243 F HA 0.328 4.855 4.527 -0.000 0.000 0.305 243 F C 1.141 176.840 175.800 -0.167 0.000 1.090 243 F CA 0.404 58.303 58.000 -0.167 0.000 1.272 243 F CB 1.269 40.199 39.000 -0.118 0.000 1.060 243 F HN 0.106 nan 8.300 nan 0.000 0.576 244 G N 1.657 110.372 108.800 -0.142 0.000 2.298 244 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.287 244 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.287 244 G C -0.179 174.715 174.900 -0.010 0.000 1.075 244 G CA 0.301 45.345 45.100 -0.093 0.000 0.960 244 G HN 0.368 nan 8.290 nan 0.000 0.502 245 F N -1.349 118.581 119.950 -0.033 0.000 2.575 245 F HA 0.809 5.336 4.527 -0.000 0.000 0.330 245 F C -0.074 175.716 175.800 -0.017 0.000 1.056 245 F CA -2.618 55.357 58.000 -0.041 0.000 0.964 245 F CB 0.779 39.717 39.000 -0.103 0.000 1.258 245 F HN -0.029 nan 8.300 nan 0.000 0.484 246 N N 1.541 120.425 118.700 0.307 0.000 2.530 246 N HA 0.602 5.342 4.740 -0.000 0.000 0.277 246 N C -0.873 174.806 175.510 0.281 0.000 1.168 246 N CA -0.341 52.827 53.050 0.197 0.000 0.979 246 N CB 1.640 40.203 38.487 0.127 0.000 1.141 246 N HN 0.868 nan 8.380 nan 0.000 0.459 247 L N -2.160 119.171 121.223 0.180 0.000 2.415 247 L HA 0.819 5.159 4.340 -0.000 0.000 0.256 247 L C -1.217 175.719 176.870 0.110 0.000 1.010 247 L CA -0.931 54.021 54.840 0.188 0.000 0.826 247 L CB 1.837 44.020 42.059 0.206 0.000 1.405 247 L HN 0.074 nan 8.230 nan 0.000 0.410 248 V N 2.598 122.577 119.914 0.107 0.000 2.735 248 V HA 0.499 4.619 4.120 -0.000 0.000 0.310 248 V C -0.176 175.958 176.094 0.066 0.000 1.061 248 V CA -0.485 61.857 62.300 0.070 0.000 0.913 248 V CB 2.132 33.994 31.823 0.066 0.000 1.005 248 V HN 0.533 nan 8.190 nan 0.000 0.428 249 I N 3.894 124.479 120.570 0.026 0.000 2.325 249 I HA 0.372 4.542 4.170 -0.000 0.000 0.291 249 I C 0.233 176.321 176.117 -0.049 0.000 1.019 249 I CA -0.468 60.832 61.300 -0.001 0.000 1.302 249 I CB 1.323 39.306 38.000 -0.028 0.000 1.401 249 I HN 0.612 nan 8.210 nan 0.000 0.485 250 E N 7.029 127.182 120.200 -0.078 0.000 2.227 250 E HA 0.273 4.623 4.350 -0.000 0.000 0.282 250 E C 0.557 176.928 176.600 -0.382 0.000 1.015 250 E CA -0.312 55.904 56.400 -0.307 0.000 0.823 250 E CB 0.969 30.467 29.700 -0.338 0.000 1.081 250 E HN 0.535 nan 8.360 nan 0.000 0.396 251 H N 2.000 120.943 119.070 -0.212 0.000 4.806 251 H HA -0.238 4.318 4.556 -0.000 0.000 0.061 251 H C 0.993 176.262 175.328 -0.099 0.000 0.604 251 H CA 1.273 57.220 56.048 -0.168 0.000 0.938 251 H CB -1.413 28.160 29.762 -0.314 0.000 0.431 251 H HN 0.825 nan 8.280 nan 0.000 0.803 252 G N 1.438 110.225 108.800 -0.022 0.000 2.366 252 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.299 252 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.299 252 G C 0.956 175.889 174.900 0.056 0.000 1.020 252 G CA 1.684 46.774 45.100 -0.018 0.000 1.026 252 G HN 0.719 nan 8.290 nan 0.000 0.512 253 T N -0.097 114.537 114.554 0.134 0.000 2.685 253 T HA -0.126 4.224 4.350 -0.000 0.000 0.268 253 T C 1.728 176.503 174.700 0.124 0.000 1.034 253 T CA 1.811 64.010 62.100 0.165 0.000 1.149 253 T CB -0.075 68.910 68.868 0.195 0.000 0.860 253 T HN 0.688 nan 8.240 nan 0.000 0.449 254 E N 0.184 120.377 120.200 -0.012 0.000 2.437 254 E HA 0.401 4.751 4.350 -0.000 0.000 0.195 254 E C 1.893 178.311 176.600 -0.303 0.000 1.029 254 E CA -0.131 56.114 56.400 -0.259 0.000 0.948 254 E CB 0.209 29.766 29.700 -0.239 0.000 1.082 254 E HN 0.412 nan 8.360 nan 0.000 0.456 255 A N 1.055 123.818 122.820 -0.094 0.000 1.978 255 A HA -0.232 4.088 4.320 -0.000 0.000 0.220 255 A C 2.012 179.566 177.584 -0.049 0.000 1.170 255 A CA 1.268 53.270 52.037 -0.058 0.000 0.636 255 A CB -0.809 18.195 19.000 0.007 0.000 0.810 255 A HN 0.564 nan 8.150 nan 0.000 0.448 256 Y N -0.333 119.958 120.300 -0.014 0.000 2.403 256 Y HA -0.015 4.535 4.550 -0.000 0.000 0.291 256 Y C 1.666 177.558 175.900 -0.012 0.000 1.143 256 Y CA 1.313 59.406 58.100 -0.013 0.000 1.257 256 Y CB -0.377 38.075 38.460 -0.013 0.000 0.984 256 Y HN 0.204 nan 8.280 nan 0.000 0.550 257 K N 1.365 121.453 120.400 -0.521 0.000 2.366 257 K HA 0.134 4.454 4.320 -0.000 0.000 0.198 257 K C 0.897 177.410 176.600 -0.144 0.000 1.044 257 K CA 1.415 57.506 56.287 -0.326 0.000 0.973 257 K CB -0.043 32.206 32.500 -0.419 0.000 0.767 257 K HN 0.670 nan 8.250 nan 0.000 0.475 258 I N -2.533 117.966 120.570 -0.119 0.000 3.597 258 I HA 0.145 4.315 4.170 -0.000 0.000 0.323 258 I C 1.183 177.277 176.117 -0.039 0.000 1.535 258 I CA -0.313 60.943 61.300 -0.072 0.000 1.028 258 I CB 0.763 38.713 38.000 -0.083 0.000 1.354 258 I HN -0.162 nan 8.210 nan 0.000 0.544 259 S N 0.639 116.330 115.700 -0.014 0.000 2.423 259 S HA -0.150 4.320 4.470 -0.000 0.000 0.231 259 S C 1.855 176.457 174.600 0.004 0.000 1.014 259 S CA 1.147 59.352 58.200 0.008 0.000 0.965 259 S CB -0.200 63.025 63.200 0.042 0.000 0.785 259 S HN 0.599 nan 8.310 nan 0.000 0.495 260 K N 1.055 121.455 120.400 -0.000 0.000 2.026 260 K HA -0.027 4.293 4.320 -0.000 0.000 0.208 260 K C 1.960 178.555 176.600 -0.010 0.000 1.048 260 K CA 1.595 57.880 56.287 -0.002 0.000 0.929 260 K CB -0.486 32.012 32.500 -0.003 0.000 0.713 260 K HN 0.310 nan 8.250 nan 0.000 0.439 261 V N 1.433 121.336 119.914 -0.018 0.000 2.295 261 V HA -0.269 3.851 4.120 -0.000 0.000 0.246 261 V C 2.244 178.325 176.094 -0.023 0.000 1.049 261 V CA 1.719 64.005 62.300 -0.024 0.000 1.024 261 V CB -0.487 31.316 31.823 -0.034 0.000 0.648 261 V HN 0.292 nan 8.190 nan 0.000 0.447 262 L N 0.174 121.385 121.223 -0.021 0.000 2.046 262 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 262 L C 2.758 179.623 176.870 -0.008 0.000 1.077 262 L CA 1.598 56.428 54.840 -0.017 0.000 0.747 262 L CB -0.823 41.227 42.059 -0.015 0.000 0.896 262 L HN 0.352 nan 8.230 nan 0.000 0.432 263 A N -0.080 122.739 122.820 -0.003 0.000 1.877 263 A HA -0.231 4.089 4.320 -0.000 0.000 0.216 263 A C 2.184 179.767 177.584 -0.001 0.000 1.186 263 A CA 1.754 53.792 52.037 0.002 0.000 0.620 263 A CB -0.491 18.513 19.000 0.006 0.000 0.822 263 A HN 0.441 nan 8.150 nan 0.000 0.443 264 E N -0.262 119.934 120.200 -0.006 0.000 2.085 264 E HA -0.180 4.170 4.350 -0.000 0.000 0.194 264 E C 1.731 178.325 176.600 -0.011 0.000 0.994 264 E CA 1.420 57.815 56.400 -0.008 0.000 0.801 264 E CB -0.125 29.568 29.700 -0.012 0.000 0.743 264 E HN 0.563 nan 8.360 nan 0.000 0.453 265 K N 0.339 120.730 120.400 -0.015 0.000 2.444 265 K HA 0.031 4.351 4.320 -0.000 0.000 0.193 265 K C -0.052 176.541 176.600 -0.011 0.000 1.024 265 K CA 0.111 56.387 56.287 -0.018 0.000 1.077 265 K CB 0.288 32.772 32.500 -0.028 0.000 0.833 265 K HN -0.090 nan 8.250 nan 0.000 0.517 266 K N 0.745 121.142 120.400 -0.005 0.000 3.096 266 K HA -0.170 4.150 4.320 -0.000 0.000 0.266 266 K C -0.810 175.792 176.600 0.004 0.000 1.043 266 K CA 0.420 56.708 56.287 0.002 0.000 0.758 266 K CB -1.728 30.774 32.500 0.004 0.000 1.260 266 K HN 0.194 nan 8.250 nan 0.000 0.481 267 I N 2.119 122.689 120.570 -0.000 0.000 2.337 267 I HA 0.191 4.361 4.170 -0.000 0.000 0.291 267 I C -1.612 174.510 176.117 0.007 0.000 1.046 267 I CA -2.097 59.204 61.300 0.002 0.000 1.324 267 I CB 0.645 38.640 38.000 -0.009 0.000 1.409 267 I HN -0.049 nan 8.210 nan 0.000 0.494 268 P HA 0.256 nan 4.420 nan 0.000 0.277 268 P C -0.948 176.358 177.300 0.010 0.000 1.240 268 P CA -0.288 62.821 63.100 0.016 0.000 0.798 268 P CB 1.491 33.205 31.700 0.023 0.000 0.979 269 V N 2.065 121.982 119.914 0.005 0.000 2.531 269 V HA 0.187 4.307 4.120 -0.000 0.000 0.301 269 V C 0.101 176.186 176.094 -0.015 0.000 1.034 269 V CA -0.829 61.466 62.300 -0.008 0.000 0.865 269 V CB 2.223 34.043 31.823 -0.005 0.000 0.995 269 V HN 0.221 nan 8.190 nan 0.000 0.424 270 V N 5.929 125.816 119.914 -0.044 0.000 2.322 270 V HA 0.226 4.346 4.120 -0.000 0.000 0.258 270 V C 0.421 176.462 176.094 -0.088 0.000 1.074 270 V CA -0.322 61.942 62.300 -0.059 0.000 0.909 270 V CB 1.099 32.882 31.823 -0.068 0.000 1.090 270 V HN 0.751 nan 8.190 nan 0.000 0.486 271 V N 2.860 122.753 119.914 -0.035 0.000 3.133 271 V HA 1.015 5.135 4.120 -0.000 0.000 0.305 271 V C 0.599 176.691 176.094 -0.004 0.000 1.084 271 V CA 0.351 62.645 62.300 -0.009 0.000 1.089 271 V CB 0.759 32.590 31.823 0.012 0.000 1.073 271 V HN 1.505 nan 8.190 nan 0.000 0.477 272 G N 2.115 110.939 108.800 0.040 0.000 2.570 272 G HA2 0.046 4.006 3.960 -0.000 0.000 0.686 272 G HA3 0.046 4.006 3.960 -0.000 0.000 0.686 272 G C -3.083 171.932 174.900 0.191 0.000 1.257 272 G CA -0.416 44.725 45.100 0.070 0.000 0.846 272 G HN 0.994 nan 8.290 nan 0.000 0.627 273 P HA 0.392 nan 4.420 nan 0.000 0.275 273 P C 0.722 178.054 177.300 0.053 0.000 1.227 273 P CA -0.268 62.895 63.100 0.106 0.000 0.781 273 P CB 1.097 32.865 31.700 0.112 0.000 0.906 274 L N 1.780 123.011 121.223 0.013 0.000 2.547 274 L HA 0.189 4.529 4.340 -0.000 0.000 0.218 274 L C 1.527 178.363 176.870 -0.057 0.000 1.048 274 L CA 0.086 54.904 54.840 -0.038 0.000 0.859 274 L CB -0.103 41.917 42.059 -0.063 0.000 1.128 274 L HN 0.241 nan 8.230 nan 0.000 0.483 275 L N 1.146 122.352 121.223 -0.029 0.000 2.511 275 L HA 0.245 4.585 4.340 -0.000 0.000 0.239 275 L C -0.099 176.776 176.870 0.008 0.000 1.400 275 L CA 0.812 55.639 54.840 -0.021 0.000 1.226 275 L CB -0.433 41.621 42.059 -0.009 0.000 1.475 275 L HN -0.006 nan 8.230 nan 0.000 0.428 276 T N 0.568 115.127 114.554 0.009 0.000 2.840 276 T HA 0.280 4.630 4.350 -0.000 0.000 0.317 276 T C -1.151 173.596 174.700 0.079 0.000 1.401 276 T CA -0.548 61.584 62.100 0.052 0.000 1.028 276 T CB 0.611 69.508 68.868 0.048 0.000 1.317 276 T HN 0.027 nan 8.240 nan 0.000 0.495 277 F N 2.915 122.842 119.950 -0.038 0.000 2.429 277 F HA 0.548 5.075 4.527 -0.000 0.000 0.348 277 F C 0.811 176.578 175.800 -0.053 0.000 1.109 277 F CA -0.668 57.306 58.000 -0.042 0.000 1.232 277 F CB 0.678 39.659 39.000 -0.032 0.000 1.157 277 F HN 0.483 nan 8.300 nan 0.000 0.564 278 R N 3.764 123.803 120.500 -0.768 0.000 2.609 278 R HA 0.096 4.436 4.340 -0.000 0.000 0.271 278 R C 1.178 177.078 176.300 -0.667 0.000 1.403 278 R CA 0.564 56.305 56.100 -0.598 0.000 1.138 278 R CB -0.404 29.605 30.300 -0.486 0.000 1.142 278 R HN 0.817 nan 8.270 nan 0.000 0.559 279 T N -1.373 113.029 114.554 -0.253 0.000 3.055 279 T HA 0.005 4.355 4.350 -0.000 0.000 0.265 279 T C 0.631 175.304 174.700 -0.044 0.000 1.111 279 T CA 0.632 62.736 62.100 0.006 0.000 1.118 279 T CB 0.242 69.176 68.868 0.110 0.000 0.909 279 T HN 0.260 nan 8.240 nan 0.000 0.501 280 K N -0.346 119.981 120.400 -0.122 0.000 2.443 280 K HA 0.524 4.844 4.320 -0.000 0.000 0.251 280 K C 0.167 176.702 176.600 -0.108 0.000 0.972 280 K CA -0.913 55.320 56.287 -0.089 0.000 0.833 280 K CB 2.186 34.636 32.500 -0.084 0.000 1.317 280 K HN -0.145 nan 8.250 nan 0.000 0.441 281 L N 2.496 123.681 121.223 -0.065 0.000 2.043 281 L HA -0.233 4.106 4.340 -0.000 0.000 0.212 281 L C 1.980 178.814 176.870 -0.060 0.000 1.075 281 L CA 2.094 56.902 54.840 -0.055 0.000 0.752 281 L CB -0.420 41.624 42.059 -0.024 0.000 0.891 281 L HN 0.825 nan 8.230 nan 0.000 0.432 282 E N -1.194 118.973 120.200 -0.055 0.000 2.418 282 E HA -0.169 4.181 4.350 -0.000 0.000 0.197 282 E C 1.707 178.247 176.600 -0.101 0.000 1.026 282 E CA 0.841 57.216 56.400 -0.040 0.000 0.862 282 E CB -0.378 29.336 29.700 0.022 0.000 0.799 282 E HN 0.591 nan 8.360 nan 0.000 0.518 283 L N 1.158 122.278 121.223 -0.171 0.000 2.607 283 L HA 0.129 4.469 4.340 -0.000 0.000 0.228 283 L C 2.178 178.957 176.870 -0.152 0.000 1.123 283 L CA 0.178 54.893 54.840 -0.208 0.000 0.890 283 L CB -0.053 41.834 42.059 -0.286 0.000 1.103 283 L HN 0.131 nan 8.230 nan 0.000 0.468 284 K N -0.799 119.530 120.400 -0.119 0.000 2.152 284 K HA -0.164 4.156 4.320 -0.000 0.000 0.206 284 K C 0.722 177.278 176.600 -0.073 0.000 1.048 284 K CA 1.598 57.819 56.287 -0.111 0.000 0.933 284 K CB -0.060 32.392 32.500 -0.080 0.000 0.721 284 K HN 0.061 nan 8.250 nan 0.000 0.447 285 D N 0.647 121.033 120.400 -0.024 0.000 2.342 285 D HA 0.099 4.739 4.640 -0.000 0.000 0.221 285 D C -0.075 176.282 176.300 0.096 0.000 1.101 285 D CA -0.240 53.790 54.000 0.051 0.000 0.837 285 D CB 0.051 40.913 40.800 0.103 0.000 0.938 285 D HN 0.200 nan 8.370 nan 0.000 0.508 286 L N 0.715 121.942 121.223 0.008 0.000 2.559 286 L HA 0.069 4.409 4.340 -0.000 0.000 0.282 286 L C 0.441 177.260 176.870 -0.085 0.000 1.232 286 L CA 0.866 55.698 54.840 -0.012 0.000 0.885 286 L CB 0.558 42.569 42.059 -0.081 0.000 1.131 286 L HN -0.058 nan 8.230 nan 0.000 0.498 290 T N 1.898 116.330 114.554 -0.204 0.000 2.685 290 T HA -0.169 4.181 4.350 -0.000 0.000 0.268 290 T C 1.860 176.543 174.700 -0.029 0.000 1.034 290 T CA 1.560 63.595 62.100 -0.109 0.000 1.149 290 T CB -0.175 68.682 68.868 -0.018 0.000 0.860 290 T HN 0.138 nan 8.240 nan 0.000 0.449 291 I N 1.088 121.638 120.570 -0.033 0.000 2.099 291 I HA -0.215 3.955 4.170 -0.000 0.000 0.239 291 I C 2.898 179.014 176.117 -0.001 0.000 1.066 291 I CA 1.362 62.656 61.300 -0.010 0.000 1.324 291 I CB -0.537 37.453 38.000 -0.016 0.000 1.037 291 I HN 0.190 nan 8.210 nan 0.000 0.401 292 A N 0.667 123.482 122.820 -0.008 0.000 1.908 292 A HA -0.247 4.073 4.320 -0.000 0.000 0.218 292 A C 2.315 179.901 177.584 0.004 0.000 1.181 292 A CA 1.868 53.905 52.037 0.001 0.000 0.627 292 A CB -0.518 18.481 19.000 -0.002 0.000 0.818 292 A HN 0.346 nan 8.150 nan 0.000 0.445 293 K N -0.501 119.895 120.400 -0.007 0.000 2.026 293 K HA -0.005 4.315 4.320 -0.000 0.000 0.208 293 K C 1.883 178.507 176.600 0.039 0.000 1.048 293 K CA 1.415 57.711 56.287 0.014 0.000 0.929 293 K CB -0.352 32.153 32.500 0.008 0.000 0.713 293 K HN 0.458 nan 8.250 nan 0.000 0.439 294 L N 0.834 122.083 121.223 0.044 0.000 2.093 294 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 294 L C 2.301 179.191 176.870 0.034 0.000 1.085 294 L CA 0.870 55.737 54.840 0.047 0.000 0.755 294 L CB -0.393 41.696 42.059 0.049 0.000 0.904 294 L HN 0.173 nan 8.230 nan 0.000 0.435 295 L N -0.255 120.986 121.223 0.029 0.000 2.012 295 L HA -0.255 4.085 4.340 -0.000 0.000 0.210 295 L C 2.777 179.663 176.870 0.027 0.000 1.073 295 L CA 1.352 56.209 54.840 0.029 0.000 0.748 295 L CB -0.565 41.512 42.059 0.029 0.000 0.891 295 L HN 0.237 nan 8.230 nan 0.000 0.431 296 K N -0.021 120.394 120.400 0.025 0.000 2.097 296 K HA -0.190 4.129 4.320 -0.000 0.000 0.206 296 K C 1.148 177.762 176.600 0.023 0.000 1.049 296 K CA 1.523 57.823 56.287 0.022 0.000 0.933 296 K CB -0.055 32.457 32.500 0.020 0.000 0.717 296 K HN 0.324 nan 8.250 nan 0.000 0.442 297 D N -0.857 119.559 120.400 0.026 0.000 2.340 297 D HA 0.052 4.692 4.640 -0.000 0.000 0.220 297 D C 0.753 177.066 176.300 0.021 0.000 1.039 297 D CA 0.736 54.751 54.000 0.024 0.000 0.866 297 D CB 0.466 41.284 40.800 0.030 0.000 0.913 297 D HN 0.438 nan 8.370 nan 0.000 0.523 298 G N 0.489 109.302 108.800 0.022 0.000 2.149 298 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.235 298 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.235 298 G C 0.206 175.118 174.900 0.020 0.000 1.018 298 G CA 0.052 45.164 45.100 0.020 0.000 0.728 298 G HN 0.261 nan 8.290 nan 0.000 0.508 299 V N 1.008 120.935 119.914 0.022 0.000 2.465 299 V HA 0.561 4.681 4.120 -0.000 0.000 0.279 299 V C 0.830 176.938 176.094 0.023 0.000 1.045 299 V CA -0.870 61.443 62.300 0.021 0.000 0.938 299 V CB 1.642 33.478 31.823 0.022 0.000 0.986 299 V HN 0.452 nan 8.190 nan 0.000 0.467 300 L N 7.789 129.025 121.223 0.022 0.000 2.433 300 L HA 0.465 4.805 4.340 -0.000 0.000 0.275 300 L C -0.243 176.641 176.870 0.024 0.000 1.128 300 L CA 0.566 55.421 54.840 0.026 0.000 0.875 300 L CB -0.126 41.948 42.059 0.025 0.000 1.171 300 L HN 0.639 nan 8.230 nan 0.000 0.463 301 I N 2.627 123.214 120.570 0.028 0.000 2.785 301 I HA 0.979 5.149 4.170 -0.000 0.000 0.302 301 I C -0.637 175.496 176.117 0.028 0.000 1.069 301 I CA -0.813 60.501 61.300 0.023 0.000 1.045 301 I CB 2.064 40.077 38.000 0.022 0.000 1.236 301 I HN 0.668 nan 8.210 nan 0.000 0.429 302 A N 4.350 127.182 122.820 0.021 0.000 2.384 302 A HA 0.863 5.183 4.320 -0.000 0.000 0.312 302 A C -1.172 176.419 177.584 0.011 0.000 1.113 302 A CA -0.641 51.411 52.037 0.025 0.000 0.779 302 A CB 1.779 20.797 19.000 0.031 0.000 1.307 302 A HN 0.789 nan 8.150 nan 0.000 0.436 306 D N 1.683 122.190 120.400 0.179 0.000 2.701 306 D HA -0.239 4.401 4.640 -0.000 0.000 0.235 306 D C 0.054 176.510 176.300 0.260 0.000 1.155 306 D CA 1.343 55.497 54.000 0.256 0.000 0.649 306 D CB -1.631 39.360 40.800 0.319 0.000 1.050 306 D HN 0.873 nan 8.370 nan 0.000 0.425 307 H N -0.568 118.572 119.070 0.116 0.000 3.140 307 H HA 0.112 4.668 4.556 -0.000 0.000 0.316 307 H C -1.414 173.977 175.328 0.105 0.000 0.986 307 H CA -0.194 55.910 56.048 0.093 0.000 1.397 307 H CB 1.030 30.839 29.762 0.079 0.000 1.377 307 H HN 0.025 nan 8.280 nan 0.000 0.585 308 P HA -0.041 nan 4.420 nan 0.000 0.257 308 P C 0.902 178.039 177.300 -0.272 0.000 1.325 308 P CA 0.126 62.818 63.100 -0.681 0.000 0.850 308 P CB 0.251 31.616 31.700 -0.558 0.000 1.324 309 V N 0.133 119.995 119.914 -0.086 0.000 2.343 309 V HA -0.139 3.981 4.120 -0.000 0.000 0.247 309 V C 1.526 177.638 176.094 0.029 0.000 1.051 309 V CA 1.612 63.913 62.300 0.002 0.000 1.036 309 V CB -0.533 31.333 31.823 0.072 0.000 0.654 309 V HN 0.077 nan 8.190 nan 0.000 0.451 310 I N 0.243 120.848 120.570 0.058 0.000 2.465 310 I HA 0.373 4.542 4.170 -0.000 0.000 0.291 310 I C -2.699 173.492 176.117 0.122 0.000 1.014 310 I CA -2.285 59.080 61.300 0.108 0.000 1.093 310 I CB 2.140 40.221 38.000 0.135 0.000 1.267 310 I HN -0.002 nan 8.210 nan 0.000 0.431 311 P HA 0.007 nan 4.420 nan 0.000 0.267 311 P C 0.598 178.025 177.300 0.211 0.000 1.205 311 P CA -0.285 62.917 63.100 0.170 0.000 0.765 311 P CB 0.658 32.383 31.700 0.043 0.000 0.828 312 L N 4.513 125.945 121.223 0.350 0.000 2.129 312 L HA -0.223 4.117 4.340 -0.000 0.000 0.212 312 L C 2.122 178.994 176.870 0.004 0.000 1.087 312 L CA 1.827 56.744 54.840 0.130 0.000 0.757 312 L CB -1.239 40.818 42.059 -0.004 0.000 0.896 312 L HN 0.497 nan 8.230 nan 0.000 0.434 313 E N -1.874 118.224 120.200 -0.170 0.000 2.171 313 E HA -0.278 4.072 4.350 -0.000 0.000 0.197 313 E C 1.209 177.657 176.600 -0.254 0.000 0.997 313 E CA 1.491 57.686 56.400 -0.341 0.000 0.810 313 E CB -0.591 28.724 29.700 -0.642 0.000 0.738 313 E HN 0.447 nan 8.360 nan 0.000 0.467 314 F N 0.629 120.630 119.950 0.084 0.000 2.645 314 F HA 0.469 4.996 4.527 -0.000 0.000 0.300 314 F C 1.948 177.783 175.800 0.059 0.000 1.115 314 F CA -0.453 57.591 58.000 0.072 0.000 1.355 314 F CB -0.001 39.031 39.000 0.053 0.000 1.026 314 F HN 0.068 nan 8.300 nan 0.000 0.536 315 A N 0.333 123.264 122.820 0.185 0.000 1.917 315 A HA -0.254 4.066 4.320 -0.000 0.000 0.219 315 A C 2.408 180.009 177.584 0.028 0.000 1.182 315 A CA 2.585 54.678 52.037 0.093 0.000 0.633 315 A CB -1.202 17.837 19.000 0.064 0.000 0.819 315 A HN 0.420 nan 8.150 nan 0.000 0.448 316 T N -2.558 112.049 114.554 0.089 0.000 2.904 316 T HA -0.057 4.293 4.350 -0.000 0.000 0.267 316 T C 1.675 176.399 174.700 0.040 0.000 1.059 316 T CA 1.299 63.445 62.100 0.076 0.000 1.137 316 T CB -0.722 68.238 68.868 0.153 0.000 0.879 316 T HN 0.106 nan 8.240 nan 0.000 0.467 317 V N 2.085 122.057 119.914 0.097 0.000 2.295 317 V HA -0.229 3.891 4.120 -0.000 0.000 0.246 317 V C 2.959 179.028 176.094 -0.043 0.000 1.049 317 V CA 2.183 64.503 62.300 0.034 0.000 1.024 317 V CB -1.043 30.810 31.823 0.051 0.000 0.648 317 V HN 0.562 nan 8.190 nan 0.000 0.447 318 Q N 0.324 120.114 119.800 -0.017 0.000 2.050 318 Q HA -0.227 4.113 4.340 -0.000 0.000 0.202 318 Q C 2.237 178.157 176.000 -0.133 0.000 0.980 318 Q CA 2.244 58.018 55.803 -0.048 0.000 0.840 318 Q CB -0.351 28.382 28.738 -0.008 0.000 0.898 318 Q HN 0.595 nan 8.270 nan 0.000 0.424 319 A N 0.958 123.653 122.820 -0.209 0.000 1.877 319 A HA -0.133 4.187 4.320 -0.000 0.000 0.216 319 A C 2.361 179.563 177.584 -0.636 0.000 1.186 319 A CA 1.882 53.683 52.037 -0.394 0.000 0.620 319 A CB -1.210 17.527 19.000 -0.437 0.000 0.822 319 A HN 0.606 nan 8.150 nan 0.000 0.443 320 A N -1.167 121.227 122.820 -0.710 0.000 1.940 320 A HA -0.107 4.213 4.320 -0.000 0.000 0.219 320 A C 2.250 179.655 177.584 -0.297 0.000 1.176 320 A CA 2.300 53.967 52.037 -0.617 0.000 0.631 320 A CB -1.264 17.565 19.000 -0.286 0.000 0.814 320 A HN 0.439 nan 8.150 nan 0.000 0.446 321 T N 0.362 114.809 114.554 -0.179 0.000 2.915 321 T HA 0.227 4.577 4.350 -0.000 0.000 0.269 321 T C 1.269 175.990 174.700 0.034 0.000 1.071 321 T CA 0.705 62.774 62.100 -0.052 0.000 1.132 321 T CB -0.499 68.372 68.868 0.005 0.000 0.878 321 T HN 0.660 nan 8.240 nan 0.000 0.479 325 Y N 0.338 120.594 120.300 -0.073 0.000 2.634 325 Y HA 0.374 4.924 4.550 -0.000 0.000 0.292 325 Y C 1.222 177.080 175.900 -0.070 0.000 0.996 325 Y CA 0.224 58.280 58.100 -0.074 0.000 1.165 325 Y CB 1.555 39.965 38.460 -0.084 0.000 1.194 325 Y HN 0.286 nan 8.280 nan 0.000 0.585 326 G N 0.209 109.006 108.800 -0.004 0.000 2.199 326 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.254 326 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.254 326 G C 0.439 175.338 174.900 -0.001 0.000 0.982 326 G CA -0.082 45.015 45.100 -0.006 0.000 0.632 326 G HN 0.722 nan 8.290 nan 0.000 0.529 327 A N 0.306 123.126 122.820 0.000 0.000 2.340 327 A HA 0.656 4.976 4.320 -0.000 0.000 0.268 327 A C 0.483 178.065 177.584 -0.003 0.000 1.100 327 A CA 0.015 52.051 52.037 -0.003 0.000 0.803 327 A CB 0.572 19.563 19.000 -0.016 0.000 1.043 327 A HN 0.208 nan 8.150 nan 0.000 0.488 328 K N 1.129 121.543 120.400 0.024 0.000 2.138 328 K HA 0.145 4.465 4.320 -0.000 0.000 0.263 328 K C 1.007 177.669 176.600 0.103 0.000 0.965 328 K CA -0.508 55.810 56.287 0.051 0.000 0.868 328 K CB 1.753 34.288 32.500 0.059 0.000 1.083 328 K HN 0.959 nan 8.250 nan 0.000 0.443 329 E N 2.474 122.763 120.200 0.149 0.000 2.108 329 E HA -0.317 4.033 4.350 -0.000 0.000 0.203 329 E C 1.289 178.104 176.600 0.358 0.000 1.022 329 E CA 1.929 58.517 56.400 0.314 0.000 0.823 329 E CB 0.224 30.088 29.700 0.274 0.000 0.744 329 E HN 0.670 nan 8.360 nan 0.000 0.456 330 E N -0.016 120.335 120.200 0.251 0.000 2.051 330 E HA -0.206 4.144 4.350 -0.000 0.000 0.192 330 E C 1.880 178.606 176.600 0.209 0.000 0.991 330 E CA 1.583 58.125 56.400 0.236 0.000 0.799 330 E CB 0.029 29.832 29.700 0.171 0.000 0.748 330 E HN 0.302 nan 8.360 nan 0.000 0.449 331 D N 0.456 120.952 120.400 0.160 0.000 2.097 331 D HA -0.171 4.469 4.640 -0.000 0.000 0.195 331 D C 2.185 178.571 176.300 0.143 0.000 0.989 331 D CA 0.879 54.955 54.000 0.127 0.000 0.827 331 D CB -0.245 40.607 40.800 0.086 0.000 0.966 331 D HN 0.257 nan 8.370 nan 0.000 0.456 332 L N 0.462 121.784 121.223 0.166 0.000 2.042 332 L HA -0.177 4.162 4.340 -0.000 0.000 0.210 332 L C 2.636 179.670 176.870 0.274 0.000 1.076 332 L CA 0.727 55.658 54.840 0.151 0.000 0.749 332 L CB -0.406 41.672 42.059 0.031 0.000 0.893 332 L HN 0.033 nan 8.230 nan 0.000 0.432 333 L N -0.542 120.919 121.223 0.396 0.000 2.083 333 L HA -0.233 4.107 4.340 -0.000 0.000 0.209 333 L C 2.608 179.636 176.870 0.264 0.000 1.083 333 L CA 1.339 56.378 54.840 0.332 0.000 0.752 333 L CB -0.454 41.804 42.059 0.332 0.000 0.899 333 L HN 0.214 nan 8.230 nan 0.000 0.433 334 K N 0.453 120.981 120.400 0.212 0.000 2.097 334 K HA -0.121 4.199 4.320 -0.000 0.000 0.205 334 K C 1.928 178.609 176.600 0.135 0.000 1.050 334 K CA 1.440 57.826 56.287 0.166 0.000 0.938 334 K CB -0.157 32.422 32.500 0.133 0.000 0.718 334 K HN 0.427 nan 8.250 nan 0.000 0.442 335 I N -1.584 119.053 120.570 0.112 0.000 3.444 335 I HA -0.046 4.124 4.170 -0.000 0.000 0.287 335 I C 1.034 177.190 176.117 0.066 0.000 1.302 335 I CA 0.888 62.233 61.300 0.074 0.000 1.368 335 I CB -0.009 38.020 38.000 0.047 0.000 1.048 335 I HN 0.001 nan 8.210 nan 0.000 0.487 336 L N 0.722 121.998 121.223 0.088 0.000 2.664 336 L HA 0.206 4.546 4.340 -0.000 0.000 0.233 336 L C 1.719 178.733 176.870 0.241 0.000 1.113 336 L CA 0.619 55.507 54.840 0.078 0.000 0.896 336 L CB 0.122 42.079 42.059 -0.170 0.000 1.163 336 L HN 0.472 nan 8.230 nan 0.000 0.497 337 T N -4.133 110.560 114.554 0.232 0.000 3.349 337 T HA 0.030 4.380 4.350 -0.000 0.000 0.169 337 T C 1.465 176.256 174.700 0.151 0.000 0.938 337 T CA 0.712 62.956 62.100 0.240 0.000 1.017 337 T CB -0.578 68.465 68.868 0.292 0.000 1.476 337 T HN -0.142 nan 8.240 nan 0.000 0.327 338 V N 1.887 121.882 119.914 0.135 0.000 2.379 338 V HA -0.006 4.114 4.120 -0.000 0.000 0.245 338 V C 2.272 178.413 176.094 0.079 0.000 1.044 338 V CA 1.943 64.301 62.300 0.097 0.000 1.036 338 V CB -1.527 30.350 31.823 0.090 0.000 0.664 338 V HN 0.351 nan 8.190 nan 0.000 0.453 339 N N 1.682 120.431 118.700 0.082 0.000 2.039 339 N HA -0.048 4.692 4.740 -0.000 0.000 0.193 339 N C -0.315 175.229 175.510 0.057 0.000 1.044 339 N CA 2.212 55.300 53.050 0.064 0.000 0.847 339 N CB -1.983 36.541 38.487 0.062 0.000 1.030 339 N HN 0.426 nan 8.380 nan 0.000 0.422 340 P HA -0.095 nan 4.420 nan 0.000 0.216 340 P C 0.940 178.267 177.300 0.045 0.000 1.150 340 P CA 1.618 64.749 63.100 0.053 0.000 0.843 340 P CB -0.093 31.645 31.700 0.063 0.000 0.787 341 A N 0.205 123.056 122.820 0.052 0.000 1.902 341 A HA -0.211 4.109 4.320 -0.000 0.000 0.217 341 A C 2.372 179.975 177.584 0.033 0.000 1.181 341 A CA 2.308 54.369 52.037 0.040 0.000 0.623 341 A CB -1.121 17.907 19.000 0.047 0.000 0.818 341 A HN 0.153 nan 8.150 nan 0.000 0.443 342 K N 0.176 120.599 120.400 0.038 0.000 2.026 342 K HA -0.048 4.272 4.320 -0.000 0.000 0.208 342 K C 1.641 178.259 176.600 0.030 0.000 1.048 342 K CA 1.778 58.085 56.287 0.033 0.000 0.929 342 K CB -0.518 32.004 32.500 0.036 0.000 0.713 342 K HN 0.438 nan 8.250 nan 0.000 0.439 343 I N 0.833 121.422 120.570 0.032 0.000 2.264 343 I HA -0.262 3.908 4.170 -0.000 0.000 0.248 343 I C 1.733 177.867 176.117 0.028 0.000 1.111 343 I CA 1.168 62.486 61.300 0.031 0.000 1.382 343 I CB -0.170 37.849 38.000 0.031 0.000 1.060 343 I HN 0.179 nan 8.210 nan 0.000 0.418 344 L N 0.395 121.631 121.223 0.022 0.000 2.599 344 L HA 0.162 4.502 4.340 -0.000 0.000 0.230 344 L C 1.429 178.306 176.870 0.011 0.000 1.141 344 L CA 0.415 55.262 54.840 0.013 0.000 0.877 344 L CB -0.564 41.496 42.059 0.001 0.000 1.009 344 L HN 0.473 nan 8.230 nan 0.000 0.447 345 G N 0.911 109.721 108.800 0.017 0.000 2.221 345 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.265 345 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.265 345 G C 0.343 175.250 174.900 0.012 0.000 1.041 345 G CA 0.195 45.305 45.100 0.016 0.000 0.807 345 G HN 0.381 nan 8.290 nan 0.000 0.502 346 L N -0.231 120.999 121.223 0.012 0.000 3.267 346 L HA 0.238 4.578 4.340 -0.000 0.000 0.289 346 L C 2.073 178.952 176.870 0.016 0.000 1.260 346 L CA 0.418 55.263 54.840 0.009 0.000 1.034 346 L CB 0.105 42.163 42.059 -0.001 0.000 1.413 346 L HN 0.507 nan 8.230 nan 0.000 0.594 347 E N -0.619 119.594 120.200 0.021 0.000 2.273 347 E HA -0.232 4.118 4.350 -0.000 0.000 0.198 347 E C 0.392 177.007 176.600 0.024 0.000 1.002 347 E CA 1.305 57.721 56.400 0.027 0.000 0.828 347 E CB -0.041 29.676 29.700 0.028 0.000 0.747 347 E HN 0.430 nan 8.360 nan 0.000 0.491 348 D N 0.211 120.622 120.400 0.018 0.000 2.339 348 D HA 0.086 4.726 4.640 -0.000 0.000 0.217 348 D C 1.471 177.780 176.300 0.015 0.000 1.050 348 D CA 0.226 54.236 54.000 0.017 0.000 0.856 348 D CB 0.290 41.098 40.800 0.014 0.000 0.922 348 D HN 0.241 nan 8.370 nan 0.000 0.518 349 R N -0.313 120.196 120.500 0.014 0.000 2.276 349 R HA 0.290 4.630 4.340 -0.000 0.000 0.195 349 R C 0.995 177.304 176.300 0.015 0.000 0.908 349 R CA 0.304 56.411 56.100 0.012 0.000 1.083 349 R CB 1.144 31.447 30.300 0.005 0.000 1.182 349 R HN 0.132 nan 8.270 nan 0.000 0.608 350 I N -4.876 115.705 120.570 0.018 0.000 3.174 350 I HA 0.711 4.881 4.170 -0.000 0.000 0.313 350 I C 0.387 176.528 176.117 0.040 0.000 1.155 350 I CA -0.632 60.682 61.300 0.023 0.000 0.977 350 I CB 2.377 40.384 38.000 0.011 0.000 1.248 350 I HN 0.220 nan 8.210 nan 0.000 0.453 351 G N 1.894 110.727 108.800 0.055 0.000 2.176 351 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.232 351 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.232 351 G C 0.043 174.998 174.900 0.091 0.000 0.986 351 G CA 0.183 45.334 45.100 0.085 0.000 0.643 351 G HN 1.674 nan 8.290 nan 0.000 0.522 352 S N -1.178 114.562 115.700 0.067 0.000 2.565 352 S HA 0.703 5.173 4.470 -0.000 0.000 0.269 352 S C -0.780 173.846 174.600 0.043 0.000 1.153 352 S CA -0.821 57.417 58.200 0.064 0.000 0.835 352 S CB 1.588 64.826 63.200 0.063 0.000 1.122 352 S HN 0.780 nan 8.310 nan 0.000 0.462 353 I N 1.627 122.221 120.570 0.039 0.000 2.282 353 I HA 0.453 4.623 4.170 -0.000 0.000 0.290 353 I C -0.057 176.087 176.117 0.045 0.000 1.090 353 I CA 0.078 61.396 61.300 0.030 0.000 1.231 353 I CB 0.290 38.296 38.000 0.010 0.000 1.434 353 I HN 0.623 nan 8.210 nan 0.000 0.487 354 E N 6.658 126.880 120.200 0.037 0.000 2.356 354 E HA 0.416 4.766 4.350 -0.000 0.000 0.275 354 E C -2.617 173.999 176.600 0.027 0.000 0.904 354 E CA -2.165 54.254 56.400 0.032 0.000 0.757 354 E CB 2.506 32.222 29.700 0.027 0.000 1.232 354 E HN 0.164 nan 8.360 nan 0.000 0.442 355 P HA 0.016 nan 4.420 nan 0.000 0.265 355 P C 0.610 177.919 177.300 0.016 0.000 1.193 355 P CA 1.029 64.140 63.100 0.019 0.000 0.765 355 P CB 0.518 32.225 31.700 0.012 0.000 0.823 356 G N 1.854 110.664 108.800 0.017 0.000 2.299 356 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.237 356 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.237 356 G C 0.145 175.055 174.900 0.017 0.000 1.027 356 G CA -0.244 44.865 45.100 0.015 0.000 0.619 356 G HN 0.528 nan 8.290 nan 0.000 0.513 357 K N 1.397 121.808 120.400 0.020 0.000 2.168 357 K HA 0.368 4.688 4.320 -0.000 0.000 0.258 357 K C -0.409 176.204 176.600 0.022 0.000 1.010 357 K CA -0.632 55.667 56.287 0.021 0.000 0.929 357 K CB 0.557 33.071 32.500 0.023 0.000 0.998 357 K HN 0.169 nan 8.250 nan 0.000 0.479 358 D N 0.910 121.323 120.400 0.021 0.000 2.488 358 D HA 0.009 4.649 4.640 -0.000 0.000 0.238 358 D C -0.018 176.300 176.300 0.029 0.000 1.138 358 D CA 0.300 54.314 54.000 0.024 0.000 0.873 358 D CB 0.529 41.340 40.800 0.018 0.000 1.183 358 D HN 0.489 nan 8.370 nan 0.000 0.458 359 A N 2.856 125.700 122.820 0.040 0.000 3.037 359 A HA 0.130 4.450 4.320 -0.000 0.000 0.272 359 A C -0.526 177.097 177.584 0.064 0.000 1.723 359 A CA -0.498 51.567 52.037 0.047 0.000 1.413 359 A CB -0.276 18.762 19.000 0.062 0.000 1.112 359 A HN 0.243 nan 8.150 nan 0.000 0.606 360 D N 1.738 122.164 120.400 0.042 0.000 2.443 360 D HA 0.538 5.178 4.640 -0.000 0.000 0.221 360 D C -0.439 175.872 176.300 0.019 0.000 1.097 360 D CA 0.391 54.419 54.000 0.046 0.000 0.865 360 D CB 1.112 41.925 40.800 0.022 0.000 1.034 360 D HN 0.371 nan 8.370 nan 0.000 0.511 361 L N 0.949 122.195 121.223 0.038 0.000 2.388 361 L HA 0.615 4.955 4.340 -0.000 0.000 0.264 361 L C -0.634 176.238 176.870 0.005 0.000 0.998 361 L CA -1.165 53.656 54.840 -0.032 0.000 0.817 361 L CB 2.577 44.519 42.059 -0.195 0.000 1.338 361 L HN -0.071 nan 8.230 nan 0.000 0.414 362 V N 2.501 122.396 119.914 -0.032 0.000 2.483 362 V HA 0.351 4.471 4.120 -0.000 0.000 0.297 362 V C -0.207 175.876 176.094 -0.019 0.000 1.027 362 V CA -0.729 61.517 62.300 -0.090 0.000 0.855 362 V CB 2.141 33.823 31.823 -0.235 0.000 0.995 362 V HN 0.422 nan 8.190 nan 0.000 0.424 363 V N 4.470 124.360 119.914 -0.040 0.000 2.389 363 V HA 0.282 4.402 4.120 -0.000 0.000 0.264 363 V C -0.448 175.637 176.094 -0.015 0.000 1.049 363 V CA -0.325 62.008 62.300 0.056 0.000 0.932 363 V CB 0.271 32.156 31.823 0.104 0.000 1.011 363 V HN 0.843 nan 8.190 nan 0.000 0.475 364 W N 2.509 123.868 121.300 0.098 0.000 2.512 364 W HA 0.407 5.067 4.660 -0.000 0.000 0.335 364 W C 1.545 178.122 176.519 0.097 0.000 1.088 364 W CA -0.369 56.996 57.345 0.034 0.000 1.236 364 W CB 1.644 31.044 29.460 -0.100 0.000 1.307 364 W HN 0.620 nan 8.180 nan 0.000 0.567 365 S N 0.658 116.540 115.700 0.304 0.000 2.522 365 S HA 0.389 4.859 4.470 -0.000 0.000 0.227 365 S C 0.622 175.313 174.600 0.153 0.000 0.986 365 S CA 0.510 58.842 58.200 0.221 0.000 0.929 365 S CB -0.107 63.186 63.200 0.155 0.000 0.769 365 S HN 0.651 nan 8.310 nan 0.000 0.529 366 G N -0.355 108.418 108.800 -0.045 0.000 2.561 366 G HA2 0.336 4.296 3.960 -0.000 0.000 0.310 366 G HA3 0.336 4.296 3.960 -0.000 0.000 0.310 366 G C -1.645 172.654 174.900 -1.002 0.000 1.292 366 G CA -0.857 43.877 45.100 -0.611 0.000 0.811 366 G HN 0.225 nan 8.290 nan 0.000 0.482 367 H N 1.100 119.472 119.070 -1.162 0.000 2.964 367 H HA 0.130 4.686 4.556 -0.000 0.000 0.328 367 H C -1.368 173.414 175.328 -0.910 0.000 1.030 367 H CA -0.593 54.889 56.048 -0.944 0.000 1.445 367 H CB 1.913 31.346 29.762 -0.548 0.000 1.449 367 H HN -0.006 nan 8.280 nan 0.000 0.581 368 P HA -0.149 nan 4.420 nan 0.000 0.219 368 P C 0.746 177.738 177.300 -0.514 0.000 1.146 368 P CA 1.127 63.242 63.100 -1.642 0.000 0.808 368 P CB 0.033 30.497 31.700 -2.060 0.000 0.779 369 F N -1.401 118.447 119.950 -0.170 0.000 2.765 369 F HA 0.184 4.711 4.527 -0.000 0.000 0.302 369 F C 1.188 176.917 175.800 -0.118 0.000 1.111 369 F CA -0.815 57.121 58.000 -0.108 0.000 1.359 369 F CB -1.073 37.887 39.000 -0.066 0.000 1.097 369 F HN -0.039 nan 8.300 nan 0.000 0.577 373 S N 2.049 117.794 115.700 0.074 0.000 2.564 373 S HA 0.347 4.817 4.470 -0.000 0.000 0.278 373 S C 0.156 174.935 174.600 0.297 0.000 1.333 373 S CA -0.566 57.718 58.200 0.140 0.000 1.048 373 S CB 1.369 64.590 63.200 0.034 0.000 0.900 373 S HN 0.216 nan 8.310 nan 0.000 0.505 374 V N 0.005 120.097 119.914 0.297 0.000 3.074 374 V HA 0.729 4.849 4.120 -0.000 0.000 0.314 374 V C -0.425 175.656 176.094 -0.021 0.000 1.117 374 V CA -1.040 61.376 62.300 0.193 0.000 1.014 374 V CB 1.566 33.451 31.823 0.104 0.000 1.057 374 V HN 0.507 nan 8.190 nan 0.000 0.438 375 V N 2.269 121.957 119.914 -0.378 0.000 2.461 375 V HA 0.337 4.457 4.120 -0.000 0.000 0.275 375 V C 0.973 176.995 176.094 -0.119 0.000 1.047 375 V CA 0.256 62.196 62.300 -0.599 0.000 0.955 375 V CB 0.603 31.937 31.823 -0.815 0.000 0.988 375 V HN 1.089 nan 8.190 nan 0.000 0.471 376 E N 4.035 124.187 120.200 -0.081 0.000 2.201 376 E HA 0.218 4.568 4.350 -0.000 0.000 0.193 376 E C 0.213 176.831 176.600 0.031 0.000 0.957 376 E CA 0.321 56.732 56.400 0.020 0.000 0.858 376 E CB 0.559 30.283 29.700 0.040 0.000 0.816 376 E HN 0.581 nan 8.360 nan 0.000 0.475 377 R N 0.253 120.768 120.500 0.026 0.000 2.680 377 R HA 0.539 4.879 4.340 -0.000 0.000 0.269 377 R C -1.431 174.856 176.300 -0.023 0.000 1.026 377 R CA -0.611 55.495 56.100 0.009 0.000 0.889 377 R CB 2.556 32.869 30.300 0.021 0.000 1.241 377 R HN -0.172 nan 8.270 nan 0.000 0.463 378 V N 2.300 122.163 119.914 -0.086 0.000 2.623 378 V HA 0.445 4.565 4.120 -0.000 0.000 0.304 378 V C -1.463 174.499 176.094 -0.221 0.000 1.054 378 V CA -0.854 61.397 62.300 -0.082 0.000 0.882 378 V CB 1.740 33.537 31.823 -0.043 0.000 1.002 378 V HN 0.595 nan 8.190 nan 0.000 0.424 379 Y N 4.336 124.652 120.300 0.026 0.000 2.393 379 Y HA 0.725 5.275 4.550 -0.000 0.000 0.341 379 Y C 0.036 175.958 175.900 0.035 0.000 0.988 379 Y CA -0.747 57.387 58.100 0.056 0.000 1.078 379 Y CB 1.968 40.481 38.460 0.087 0.000 1.203 379 Y HN 0.442 nan 8.280 nan 0.000 0.453 380 I N 3.339 124.017 120.570 0.180 0.000 2.466 380 I HA 0.223 4.393 4.170 -0.000 0.000 0.289 380 I C -0.867 175.321 176.117 0.119 0.000 1.026 380 I CA -0.792 60.578 61.300 0.116 0.000 1.078 380 I CB 1.744 39.790 38.000 0.077 0.000 1.249 380 I HN 0.695 nan 8.210 nan 0.000 0.429 381 D N 5.109 125.564 120.400 0.092 0.000 2.701 381 D HA -0.203 4.437 4.640 -0.000 0.000 0.235 381 D C 1.140 177.506 176.300 0.110 0.000 1.155 381 D CA 1.546 55.595 54.000 0.080 0.000 0.649 381 D CB -1.105 39.730 40.800 0.058 0.000 1.050 381 D HN 1.158 nan 8.370 nan 0.000 0.425 382 G N -1.915 106.977 108.800 0.155 0.000 2.166 382 G HA2 -0.293 3.666 3.960 -0.000 0.000 0.260 382 G HA3 -0.293 3.666 3.960 -0.000 0.000 0.260 382 G C 0.309 175.374 174.900 0.276 0.000 0.986 382 G CA 0.434 45.643 45.100 0.182 0.000 0.683 382 G HN 0.629 nan 8.290 nan 0.000 0.527 383 V N 0.269 120.356 119.914 0.289 0.000 2.448 383 V HA 0.446 4.566 4.120 -0.000 0.000 0.295 383 V C 0.538 176.754 176.094 0.203 0.000 1.025 383 V CA -0.817 61.630 62.300 0.246 0.000 0.859 383 V CB 1.839 33.738 31.823 0.127 0.000 0.988 383 V HN 0.454 nan 8.190 nan 0.000 0.431 384 E N 2.945 123.192 120.200 0.079 0.000 2.417 384 E HA 0.106 4.456 4.350 -0.000 0.000 0.261 384 E C 0.649 177.171 176.600 -0.129 0.000 1.000 384 E CA 0.116 56.322 56.400 -0.323 0.000 0.919 384 E CB 1.030 30.523 29.700 -0.345 0.000 0.955 384 E HN 0.661 nan 8.360 nan 0.000 0.455 385 V N 2.683 122.529 119.914 -0.113 0.000 3.604 385 V HA 0.406 4.526 4.120 -0.000 0.000 0.277 385 V C -0.107 176.026 176.094 0.064 0.000 1.399 385 V CA -0.288 62.014 62.300 0.004 0.000 1.034 385 V CB -0.226 31.634 31.823 0.061 0.000 0.824 385 V HN 0.517 nan 8.190 nan 0.000 0.439 386 F N 0.992 120.833 119.950 -0.181 0.000 2.628 386 F HA 0.778 5.305 4.527 -0.000 0.000 0.309 386 F C -0.847 174.842 175.800 -0.185 0.000 1.108 386 F CA -0.965 56.938 58.000 -0.162 0.000 0.971 386 F CB 1.703 40.611 39.000 -0.153 0.000 1.279 386 F HN 0.046 nan 8.300 nan 0.000 0.441 387 R N 5.347 125.196 120.500 -1.084 0.000 2.522 387 R HA 0.454 4.794 4.340 -0.000 0.000 0.283 387 R C -0.803 174.915 176.300 -0.970 0.000 1.074 387 R CA -0.868 54.788 56.100 -0.740 0.000 0.925 387 R CB 1.787 31.853 30.300 -0.391 0.000 1.205 387 R HN 0.967 nan 8.270 nan 0.000 0.436 388 R N 0.000 120.173 120.500 -0.545 0.000 2.786 388 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 388 R CA 0.000 55.928 56.100 -0.287 0.000 0.921 388 R CB 0.000 30.281 30.300 -0.031 0.000 0.687 388 R HN 0.000 nan 8.270 nan 0.000 0.535