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 3fmw_1_B DATA FIRST_RESID 12 DATA SEQUENCE TTDVVVVGGG PVGLMLAGEL RAGGVGALVL EKLVEPVGHD RAGALHIRTV DATA SEQUENCE ETLDLRGLLD RFLEGTQVAK GLPFAGIFTQ GLDFGLVDTR HPYTGLVPQS DATA SEQUENCE RTEALLAEHA REAGAEIPRG HEVTRLRQDA EAVEVTVAGP SGPYPVRARY DATA SEQUENCE GVGCDGGRST VRRLAADRFP GTEATVRALI GYVTTPXXEV PRRWERTPDG DATA SEQUENCE ILVLAFPPEG XXXXGWSSSS TGHSXXXDEG PVTLEDLGAA VARVRGXXXX DATA SEQUENCE XXXPVSWLSR FGDASRQAKR YRSGRVLLAG DAAHVHFPIG GQGLNTGLQD DATA SEQUENCE AVNLGWKLAA RVRGWGSEEL LDTYHDERHP VAERVLLNTR AQLALMRPDE DATA SEQUENCE QHTTPLRGFV EELLGTDEVN RYFTGMITGT DVRYATFAPA XXXRPHPWPG DATA SEQUENCE RFAGGLVLSR PSGEPVPVAE LLRSARPLLL DLAGRADLRE ATRPWSDRVS DATA SEQUENCE VVAGEATVEP PAQALLVRPD GYVAWAGSPA ATADELRASL ARWFGPPA 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 12 T HA 0.000 nan 4.350 nan 0.000 0.228 12 T C 0.000 174.686 174.700 -0.023 0.000 1.109 12 T CA 0.000 62.086 62.100 -0.023 0.000 1.349 12 T CB 0.000 68.855 68.868 -0.023 0.000 0.612 13 T N 0.515 115.060 114.554 -0.014 0.000 3.824 13 T HA 0.506 4.856 4.350 -0.000 0.000 0.308 13 T C 0.830 175.532 174.700 0.003 0.000 0.879 13 T CA 1.389 63.483 62.100 -0.010 0.000 0.882 13 T CB -0.037 68.822 68.868 -0.015 0.000 1.185 13 T HN 0.861 nan 8.240 nan 0.000 0.730 14 D N -0.714 119.691 120.400 0.008 0.000 4.376 14 D HA -0.140 4.500 4.640 -0.000 0.000 0.184 14 D C 0.005 176.332 176.300 0.045 0.000 0.937 14 D CA 2.080 56.095 54.000 0.026 0.000 2.091 14 D CB -1.033 39.782 40.800 0.025 0.000 1.128 14 D HN 0.679 nan 8.370 nan 0.000 0.422 15 V N 0.817 120.755 119.914 0.040 0.000 2.638 15 V HA 0.592 4.712 4.120 -0.000 0.000 0.306 15 V C -0.270 175.843 176.094 0.031 0.000 1.052 15 V CA -0.741 61.591 62.300 0.054 0.000 0.885 15 V CB 2.286 34.136 31.823 0.045 0.000 0.999 15 V HN 0.189 nan 8.190 nan 0.000 0.424 16 V N 5.302 125.236 119.914 0.033 0.000 2.350 16 V HA 0.418 4.538 4.120 -0.000 0.000 0.285 16 V C -0.132 175.974 176.094 0.020 0.000 1.014 16 V CA -0.594 61.719 62.300 0.022 0.000 0.831 16 V CB 1.794 33.630 31.823 0.022 0.000 1.000 16 V HN 0.624 nan 8.190 nan 0.000 0.433 17 V N 7.245 127.167 119.914 0.014 0.000 2.481 17 V HA 0.513 4.633 4.120 -0.000 0.000 0.286 17 V C -0.166 175.935 176.094 0.011 0.000 1.042 17 V CA -0.124 62.182 62.300 0.010 0.000 0.928 17 V CB 1.996 33.825 31.823 0.010 0.000 0.986 17 V HN 0.623 nan 8.190 nan 0.000 0.462 18 V N 6.285 126.203 119.914 0.007 0.000 2.318 18 V HA 0.889 5.009 4.120 -0.000 0.000 0.271 18 V C 0.494 176.591 176.094 0.005 0.000 1.030 18 V CA 0.329 62.633 62.300 0.007 0.000 0.844 18 V CB 0.140 31.963 31.823 -0.000 0.000 1.015 18 V HN 1.433 nan 8.190 nan 0.000 0.460 19 G N 3.050 111.858 108.800 0.013 0.000 3.088 19 G HA2 0.272 4.232 3.960 -0.000 0.000 0.620 19 G HA3 0.272 4.232 3.960 -0.000 0.000 0.620 19 G C 0.133 175.046 174.900 0.022 0.000 1.375 19 G CA -0.446 44.663 45.100 0.014 0.000 1.016 19 G HN 1.047 nan 8.290 nan 0.000 0.590 20 G N 0.484 109.300 108.800 0.027 0.000 3.383 20 G HA2 0.577 4.537 3.960 -0.000 0.000 0.251 20 G HA3 0.577 4.537 3.960 -0.000 0.000 0.251 20 G C 1.045 175.966 174.900 0.035 0.000 1.203 20 G CA 0.985 46.104 45.100 0.032 0.000 0.852 20 G HN 1.254 nan 8.290 nan 0.000 0.531 21 G N 0.509 109.328 108.800 0.032 0.000 2.653 21 G HA2 0.368 4.328 3.960 -0.000 0.000 0.265 21 G HA3 0.368 4.328 3.960 -0.000 0.000 0.265 21 G C -0.939 173.989 174.900 0.047 0.000 1.237 21 G CA -0.710 44.411 45.100 0.035 0.000 0.946 21 G HN 0.008 nan 8.290 nan 0.000 0.522 22 P HA -0.136 nan 4.420 nan 0.000 0.210 22 P C 2.235 179.578 177.300 0.071 0.000 1.185 22 P CA 1.347 64.488 63.100 0.069 0.000 0.924 22 P CB -0.168 31.575 31.700 0.070 0.000 0.786 23 V N -0.012 119.943 119.914 0.068 0.000 2.313 23 V HA -0.298 3.822 4.120 -0.000 0.000 0.253 23 V C 2.574 178.706 176.094 0.064 0.000 1.070 23 V CA 2.600 64.944 62.300 0.074 0.000 1.057 23 V CB -2.089 29.777 31.823 0.072 0.000 0.653 23 V HN 0.263 nan 8.190 nan 0.000 0.450 24 G N -0.626 108.204 108.800 0.050 0.000 2.404 24 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.215 24 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.215 24 G C 1.555 176.486 174.900 0.052 0.000 1.174 24 G CA 0.942 46.068 45.100 0.042 0.000 0.780 24 G HN 0.473 nan 8.290 nan 0.000 0.537 25 L N -0.484 120.776 121.223 0.062 0.000 2.017 25 L HA -0.086 4.254 4.340 -0.000 0.000 0.208 25 L C 2.824 179.750 176.870 0.094 0.000 1.073 25 L CA 1.505 56.391 54.840 0.077 0.000 0.745 25 L CB -0.431 41.678 42.059 0.083 0.000 0.894 25 L HN 0.276 nan 8.230 nan 0.000 0.432 26 M N 0.292 119.946 119.600 0.090 0.000 2.082 26 M HA -0.256 4.224 4.480 -0.000 0.000 0.258 26 M C 2.130 178.485 176.300 0.091 0.000 1.071 26 M CA 1.928 57.282 55.300 0.090 0.000 1.103 26 M CB -0.597 32.052 32.600 0.080 0.000 1.307 26 M HN 0.117 nan 8.290 nan 0.000 0.409 27 L N 0.430 121.699 121.223 0.076 0.000 2.081 27 L HA -0.103 4.237 4.340 -0.000 0.000 0.212 27 L C 2.317 179.223 176.870 0.059 0.000 1.080 27 L CA 2.259 57.135 54.840 0.059 0.000 0.754 27 L CB -1.275 40.803 42.059 0.032 0.000 0.893 27 L HN 0.418 nan 8.230 nan 0.000 0.433 28 A N -0.654 122.205 122.820 0.065 0.000 1.877 28 A HA -0.093 4.227 4.320 -0.000 0.000 0.216 28 A C 2.375 180.016 177.584 0.094 0.000 1.186 28 A CA 1.650 53.727 52.037 0.066 0.000 0.620 28 A CB -1.607 17.430 19.000 0.061 0.000 0.822 28 A HN 0.514 nan 8.150 nan 0.000 0.443 29 G N -0.425 108.459 108.800 0.140 0.000 2.446 29 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.217 29 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.217 29 G C 1.353 176.359 174.900 0.177 0.000 1.168 29 G CA 1.046 46.273 45.100 0.211 0.000 0.771 29 G HN 0.480 nan 8.290 nan 0.000 0.551 30 E N 0.398 120.686 120.200 0.147 0.000 2.153 30 E HA -0.030 4.319 4.350 -0.000 0.000 0.194 30 E C 2.642 179.321 176.600 0.132 0.000 0.988 30 E CA 0.401 56.891 56.400 0.151 0.000 0.811 30 E CB -0.240 29.552 29.700 0.153 0.000 0.746 30 E HN 0.466 nan 8.360 nan 0.000 0.466 31 L N 0.284 121.562 121.223 0.091 0.000 2.109 31 L HA -0.099 4.241 4.340 -0.000 0.000 0.207 31 L C 2.523 179.437 176.870 0.074 0.000 1.086 31 L CA 0.726 55.604 54.840 0.062 0.000 0.760 31 L CB -0.184 41.892 42.059 0.029 0.000 0.910 31 L HN -0.024 nan 8.230 nan 0.000 0.437 32 R N 0.235 120.783 120.500 0.080 0.000 2.073 32 R HA 0.018 4.357 4.340 -0.000 0.000 0.229 32 R C 2.277 178.632 176.300 0.092 0.000 1.120 32 R CA 1.307 57.450 56.100 0.072 0.000 0.967 32 R CB -0.886 29.446 30.300 0.053 0.000 0.862 32 R HN 0.277 nan 8.270 nan 0.000 0.436 33 A N 0.341 123.234 122.820 0.121 0.000 2.076 33 A HA -0.061 4.259 4.320 -0.000 0.000 0.220 33 A C 1.990 179.664 177.584 0.150 0.000 1.160 33 A CA 1.723 53.841 52.037 0.136 0.000 0.653 33 A CB -0.608 18.490 19.000 0.164 0.000 0.801 33 A HN 0.410 nan 8.150 nan 0.000 0.455 34 G N -2.098 106.797 108.800 0.159 0.000 3.088 34 G HA2 0.398 4.358 3.960 -0.000 0.000 0.217 34 G HA3 0.398 4.358 3.960 -0.000 0.000 0.217 34 G C 0.976 175.988 174.900 0.186 0.000 1.159 34 G CA 0.429 45.651 45.100 0.203 0.000 0.760 34 G HN 1.576 nan 8.290 nan 0.000 0.550 35 G N -1.028 107.853 108.800 0.136 0.000 2.204 35 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.244 35 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.244 35 G C -0.258 174.692 174.900 0.084 0.000 1.062 35 G CA 0.068 45.240 45.100 0.119 0.000 0.798 35 G HN 0.842 nan 8.290 nan 0.000 0.496 36 V N -0.614 119.337 119.914 0.061 0.000 2.925 36 V HA 0.831 4.951 4.120 -0.000 0.000 0.311 36 V C 0.955 177.068 176.094 0.032 0.000 1.104 36 V CA -0.308 62.014 62.300 0.036 0.000 0.954 36 V CB 2.081 33.911 31.823 0.012 0.000 1.022 36 V HN 0.974 nan 8.190 nan 0.000 0.427 37 G N 2.153 110.968 108.800 0.025 0.000 2.378 37 G HA2 0.548 4.508 3.960 -0.000 0.000 0.255 37 G HA3 0.548 4.508 3.960 -0.000 0.000 0.255 37 G C -0.146 174.764 174.900 0.017 0.000 1.270 37 G CA 0.462 45.573 45.100 0.019 0.000 0.876 37 G HN 1.179 nan 8.290 nan 0.000 0.521 38 A N 2.063 124.892 122.820 0.016 0.000 2.342 38 A HA 0.720 5.040 4.320 -0.000 0.000 0.323 38 A C -1.039 176.550 177.584 0.007 0.000 1.125 38 A CA -0.636 51.410 52.037 0.015 0.000 0.785 38 A CB 1.851 20.865 19.000 0.024 0.000 1.221 38 A HN 1.027 nan 8.150 nan 0.000 0.463 39 L N 3.299 124.524 121.223 0.005 0.000 2.404 39 L HA 0.614 4.954 4.340 -0.000 0.000 0.272 39 L C -1.208 175.661 176.870 -0.003 0.000 0.980 39 L CA -0.287 54.549 54.840 -0.006 0.000 0.836 39 L CB 1.826 43.879 42.059 -0.010 0.000 1.238 39 L HN 0.410 nan 8.230 nan 0.000 0.408 40 V N 5.549 125.458 119.914 -0.009 0.000 2.370 40 V HA 0.672 4.792 4.120 -0.000 0.000 0.279 40 V C 0.400 176.481 176.094 -0.021 0.000 1.029 40 V CA -0.425 61.873 62.300 -0.003 0.000 0.870 40 V CB 1.123 32.951 31.823 0.008 0.000 0.984 40 V HN 0.734 nan 8.190 nan 0.000 0.451 41 L N 2.683 123.902 121.223 -0.006 0.000 2.276 41 L HA 0.992 5.332 4.340 -0.000 0.000 0.286 41 L C 0.288 177.176 176.870 0.030 0.000 1.024 41 L CA -0.369 54.470 54.840 -0.002 0.000 0.826 41 L CB 0.419 42.497 42.059 0.031 0.000 1.211 41 L HN 0.982 nan 8.230 nan 0.000 0.422 42 E N 2.450 122.677 120.200 0.045 0.000 2.151 42 E HA 0.623 4.973 4.350 -0.000 0.000 0.275 42 E C 0.966 177.612 176.600 0.076 0.000 0.936 42 E CA 0.040 56.472 56.400 0.053 0.000 0.777 42 E CB 1.130 30.858 29.700 0.047 0.000 1.108 42 E HN 1.498 nan 8.360 nan 0.000 0.401 43 K N 1.866 122.296 120.400 0.050 0.000 1.977 43 K HA 0.001 4.321 4.320 -0.000 0.000 0.218 43 K C 1.328 177.951 176.600 0.038 0.000 1.051 43 K CA 1.663 57.973 56.287 0.038 0.000 0.953 43 K CB -1.018 31.493 32.500 0.018 0.000 0.727 43 K HN 0.550 nan 8.250 nan 0.000 0.445 44 L N -0.270 120.972 121.223 0.033 0.000 2.474 44 L HA 0.128 4.468 4.340 -0.000 0.000 0.259 44 L C 1.717 178.611 176.870 0.040 0.000 1.232 44 L CA 0.357 55.214 54.840 0.028 0.000 0.821 44 L CB 1.304 43.378 42.059 0.024 0.000 1.108 44 L HN 0.177 nan 8.230 nan 0.000 0.495 45 V N -1.307 118.626 119.914 0.031 0.000 2.908 45 V HA 0.183 4.303 4.120 -0.000 0.000 0.240 45 V C 0.762 176.876 176.094 0.033 0.000 1.117 45 V CA 1.032 63.355 62.300 0.038 0.000 1.133 45 V CB -0.117 31.721 31.823 0.024 0.000 0.857 45 V HN 0.776 nan 8.190 nan 0.000 0.478 46 E N 1.743 121.958 120.200 0.025 0.000 2.073 46 E HA 0.569 4.919 4.350 -0.000 0.000 0.269 46 E C -2.538 174.076 176.600 0.022 0.000 0.917 46 E CA -2.033 54.380 56.400 0.022 0.000 0.757 46 E CB 0.271 29.981 29.700 0.017 0.000 1.111 46 E HN 0.374 nan 8.360 nan 0.000 0.410 47 P HA 0.157 nan 4.420 nan 0.000 0.264 47 P C -0.582 176.731 177.300 0.022 0.000 1.183 47 P CA -0.144 62.971 63.100 0.025 0.000 0.763 47 P CB 1.130 32.844 31.700 0.024 0.000 0.807 48 V N 2.997 122.926 119.914 0.024 0.000 2.462 48 V HA 0.578 4.698 4.120 -0.000 0.000 0.288 48 V C 0.660 176.771 176.094 0.029 0.000 1.020 48 V CA 0.334 62.649 62.300 0.025 0.000 0.857 48 V CB 1.159 32.996 31.823 0.025 0.000 1.013 48 V HN 0.693 nan 8.190 nan 0.000 0.431 49 G N 3.239 112.056 108.800 0.028 0.000 2.599 49 G HA2 0.282 4.242 3.960 -0.000 0.000 0.210 49 G HA3 0.282 4.242 3.960 -0.000 0.000 0.210 49 G C 1.074 175.994 174.900 0.034 0.000 1.177 49 G CA 1.544 46.661 45.100 0.029 0.000 0.835 49 G HN 1.838 nan 8.290 nan 0.000 0.575 50 H N 1.139 120.227 119.070 0.030 0.000 1.452 50 H HA -0.350 4.206 4.556 -0.000 0.000 0.090 50 H C 1.429 176.781 175.328 0.040 0.000 1.246 50 H CA 2.749 58.817 56.048 0.033 0.000 1.901 50 H CB -2.574 27.208 29.762 0.034 0.000 2.257 50 H HN 0.733 nan 8.280 nan 0.000 0.961 51 D N 1.979 122.414 120.400 0.057 0.000 2.312 51 D HA 0.254 4.894 4.640 -0.000 0.000 0.244 51 D C 1.031 177.354 176.300 0.038 0.000 1.328 51 D CA 0.575 54.619 54.000 0.073 0.000 0.965 51 D CB 0.096 40.982 40.800 0.144 0.000 1.140 51 D HN 1.075 nan 8.370 nan 0.000 0.523 52 R N -2.470 118.031 120.500 0.002 0.000 3.989 52 R HA -0.150 4.190 4.340 -0.000 0.000 0.377 52 R C 0.113 176.397 176.300 -0.027 0.000 1.158 52 R CA 0.619 56.680 56.100 -0.066 0.000 1.035 52 R CB -2.465 27.786 30.300 -0.081 0.000 1.557 52 R HN 0.691 nan 8.270 nan 0.000 0.551 53 A N 1.189 124.010 122.820 0.001 0.000 2.602 53 A HA 0.218 4.538 4.320 -0.000 0.000 0.257 53 A C 1.168 178.756 177.584 0.008 0.000 0.973 53 A CA 1.366 53.411 52.037 0.013 0.000 0.862 53 A CB 0.047 19.061 19.000 0.024 0.000 0.855 53 A HN 0.466 nan 8.150 nan 0.000 0.492 54 G N 0.562 109.370 108.800 0.013 0.000 2.543 54 G HA2 0.754 4.714 3.960 -0.000 0.000 0.290 54 G HA3 0.754 4.714 3.960 -0.000 0.000 0.290 54 G C -0.085 174.811 174.900 -0.007 0.000 1.310 54 G CA -0.045 45.057 45.100 0.004 0.000 1.025 54 G HN 2.201 nan 8.290 nan 0.000 0.502 55 A N -0.323 122.465 122.820 -0.054 0.000 2.512 55 A HA 0.497 4.817 4.320 -0.000 0.000 0.290 55 A C -0.916 176.491 177.584 -0.294 0.000 1.041 55 A CA -0.557 51.403 52.037 -0.130 0.000 0.911 55 A CB 0.307 19.230 19.000 -0.128 0.000 1.407 55 A HN 0.609 nan 8.150 nan 0.000 0.398 56 L N 3.777 124.873 121.223 -0.212 0.000 2.255 56 L HA 0.459 4.799 4.340 -0.000 0.000 0.289 56 L C 0.448 177.160 176.870 -0.264 0.000 1.046 56 L CA -0.499 54.205 54.840 -0.226 0.000 0.816 56 L CB 0.624 42.603 42.059 -0.132 0.000 1.197 56 L HN 0.821 nan 8.230 nan 0.000 0.427 57 H N 2.018 121.024 119.070 -0.107 0.000 2.509 57 H HA 0.208 4.764 4.556 -0.000 0.000 0.360 57 H C 1.464 176.614 175.328 -0.297 0.000 1.398 57 H CA -0.527 55.406 56.048 -0.192 0.000 1.429 57 H CB 1.300 30.964 29.762 -0.163 0.000 1.611 57 H HN 0.617 nan 8.280 nan 0.000 0.606 58 I N -1.037 119.383 120.570 -0.251 0.000 2.076 58 I HA -0.236 3.934 4.170 -0.000 0.000 0.237 58 I C 2.412 178.359 176.117 -0.283 0.000 1.059 58 I CA 1.587 62.680 61.300 -0.346 0.000 1.317 58 I CB -0.403 37.363 38.000 -0.391 0.000 1.037 58 I HN 0.363 nan 8.210 nan 0.000 0.398 59 R N 1.632 121.973 120.500 -0.265 0.000 2.117 59 R HA -0.137 4.203 4.340 -0.000 0.000 0.243 59 R C 2.142 178.271 176.300 -0.286 0.000 1.143 59 R CA 2.640 58.543 56.100 -0.328 0.000 0.968 59 R CB -1.502 28.606 30.300 -0.320 0.000 0.863 59 R HN 0.576 nan 8.270 nan 0.000 0.444 60 T N -0.280 114.151 114.554 -0.205 0.000 2.701 60 T HA -0.084 4.266 4.350 -0.000 0.000 0.263 60 T C 1.854 176.409 174.700 -0.241 0.000 1.040 60 T CA 1.569 63.561 62.100 -0.181 0.000 1.147 60 T CB -0.404 68.381 68.868 -0.139 0.000 0.865 60 T HN 0.023 nan 8.240 nan 0.000 0.426 61 V N 1.691 121.432 119.914 -0.288 0.000 2.287 61 V HA -0.231 3.889 4.120 -0.000 0.000 0.248 61 V C 2.538 178.394 176.094 -0.398 0.000 1.053 61 V CA 1.826 63.905 62.300 -0.367 0.000 1.027 61 V CB -0.674 30.877 31.823 -0.454 0.000 0.646 61 V HN 0.557 nan 8.190 nan 0.000 0.447 62 E N -0.413 119.585 120.200 -0.337 0.000 2.097 62 E HA -0.245 4.105 4.350 -0.000 0.000 0.196 62 E C 2.297 178.849 176.600 -0.081 0.000 1.000 62 E CA 1.924 58.213 56.400 -0.185 0.000 0.804 62 E CB -0.338 29.361 29.700 -0.002 0.000 0.740 62 E HN 0.565 nan 8.360 nan 0.000 0.454 63 T N 1.350 115.832 114.554 -0.121 0.000 2.746 63 T HA -0.111 4.239 4.350 -0.000 0.000 0.267 63 T C 1.854 176.502 174.700 -0.088 0.000 1.039 63 T CA 0.745 62.813 62.100 -0.052 0.000 1.142 63 T CB -0.136 68.693 68.868 -0.065 0.000 0.866 63 T HN 0.104 nan 8.240 nan 0.000 0.444 64 L N 0.917 122.027 121.223 -0.188 0.000 2.131 64 L HA -0.116 4.224 4.340 -0.000 0.000 0.210 64 L C 2.501 179.272 176.870 -0.165 0.000 1.092 64 L CA 1.157 55.855 54.840 -0.237 0.000 0.759 64 L CB -0.530 41.274 42.059 -0.425 0.000 0.903 64 L HN 0.232 nan 8.230 nan 0.000 0.435 65 D N 0.301 120.606 120.400 -0.160 0.000 2.178 65 D HA -0.142 4.498 4.640 -0.000 0.000 0.202 65 D C 1.998 178.278 176.300 -0.033 0.000 0.974 65 D CA 0.881 54.825 54.000 -0.093 0.000 0.841 65 D CB 0.143 40.875 40.800 -0.113 0.000 0.953 65 D HN 0.080 nan 8.370 nan 0.000 0.478 66 L N 0.271 121.480 121.223 -0.023 0.000 2.450 66 L HA -0.014 4.325 4.340 -0.000 0.000 0.224 66 L C 1.868 178.736 176.870 -0.004 0.000 1.149 66 L CA 1.025 55.860 54.840 -0.007 0.000 0.816 66 L CB -0.342 41.727 42.059 0.017 0.000 0.932 66 L HN -0.040 nan 8.230 nan 0.000 0.449 67 R N -0.972 119.517 120.500 -0.019 0.000 2.543 67 R HA 0.333 4.673 4.340 -0.000 0.000 0.323 67 R C 1.205 177.504 176.300 -0.001 0.000 1.002 67 R CA 0.553 56.645 56.100 -0.012 0.000 1.106 67 R CB 0.151 30.419 30.300 -0.054 0.000 1.280 67 R HN 0.252 nan 8.270 nan 0.000 0.549 68 G N 1.507 110.312 108.800 0.008 0.000 2.200 68 G HA2 -0.295 3.664 3.960 -0.000 0.000 0.267 68 G HA3 -0.295 3.664 3.960 -0.000 0.000 0.267 68 G C 0.851 175.782 174.900 0.052 0.000 0.993 68 G CA 0.666 45.788 45.100 0.037 0.000 0.701 68 G HN 0.368 nan 8.290 nan 0.000 0.524 69 L N -1.057 120.173 121.223 0.011 0.000 2.341 69 L HA 0.162 4.502 4.340 -0.000 0.000 0.214 69 L C 2.702 179.663 176.870 0.152 0.000 1.115 69 L CA 0.582 55.469 54.840 0.080 0.000 0.820 69 L CB -0.282 41.768 42.059 -0.015 0.000 0.944 69 L HN 0.318 nan 8.230 nan 0.000 0.452 70 L N 0.432 121.660 121.223 0.009 0.000 2.042 70 L HA -0.249 4.091 4.340 -0.000 0.000 0.210 70 L C 1.949 178.916 176.870 0.162 0.000 1.076 70 L CA 1.910 56.758 54.840 0.014 0.000 0.749 70 L CB -0.645 41.379 42.059 -0.058 0.000 0.893 70 L HN 0.210 nan 8.230 nan 0.000 0.432 71 D N -0.511 119.972 120.400 0.139 0.000 2.158 71 D HA -0.204 4.436 4.640 -0.000 0.000 0.197 71 D C 2.265 178.658 176.300 0.156 0.000 0.995 71 D CA 1.275 55.356 54.000 0.134 0.000 0.846 71 D CB -0.145 40.716 40.800 0.101 0.000 0.941 71 D HN 0.412 nan 8.370 nan 0.000 0.456 72 R N -0.861 119.765 120.500 0.209 0.000 2.236 72 R HA 0.057 4.397 4.340 -0.000 0.000 0.208 72 R C 1.706 178.058 176.300 0.086 0.000 1.036 72 R CA 0.371 56.553 56.100 0.137 0.000 1.001 72 R CB -0.097 30.268 30.300 0.109 0.000 0.896 72 R HN 0.259 nan 8.270 nan 0.000 0.464 73 F N -0.167 119.800 119.950 0.029 0.000 2.754 73 F HA 0.112 4.639 4.527 -0.000 0.000 0.297 73 F C 1.653 177.481 175.800 0.046 0.000 1.122 73 F CA 0.149 58.168 58.000 0.032 0.000 1.400 73 F CB 0.383 39.397 39.000 0.024 0.000 1.117 73 F HN -0.096 nan 8.300 nan 0.000 0.587 74 L N 0.654 122.005 121.223 0.214 0.000 2.612 74 L HA 0.030 4.370 4.340 -0.000 0.000 0.230 74 L C 1.516 178.437 176.870 0.085 0.000 1.140 74 L CA 0.456 55.384 54.840 0.148 0.000 0.896 74 L CB -0.433 41.708 42.059 0.137 0.000 1.065 74 L HN 0.194 nan 8.230 nan 0.000 0.447 75 E N 0.343 120.581 120.200 0.064 0.000 2.158 75 E HA -0.015 4.335 4.350 -0.000 0.000 0.191 75 E C 1.238 177.856 176.600 0.030 0.000 0.982 75 E CA 0.264 56.684 56.400 0.033 0.000 0.823 75 E CB -0.235 29.472 29.700 0.011 0.000 0.766 75 E HN 0.276 nan 8.360 nan 0.000 0.468 76 G N 0.936 109.759 108.800 0.039 0.000 2.370 76 G HA2 0.396 4.356 3.960 -0.000 0.000 0.272 76 G HA3 0.396 4.356 3.960 -0.000 0.000 0.272 76 G C 0.155 175.091 174.900 0.061 0.000 1.208 76 G CA 0.151 45.276 45.100 0.042 0.000 0.856 76 G HN 0.192 nan 8.290 nan 0.000 0.500 77 T N 0.904 115.487 114.554 0.048 0.000 3.462 77 T HA 0.542 4.892 4.350 -0.000 0.000 0.257 77 T C 1.032 175.773 174.700 0.069 0.000 1.015 77 T CA 0.713 62.842 62.100 0.048 0.000 1.135 77 T CB -0.694 68.194 68.868 0.034 0.000 1.061 77 T HN 1.121 nan 8.240 nan 0.000 0.772 78 Q N 0.733 120.591 119.800 0.097 0.000 3.224 78 Q HA 0.824 5.163 4.340 -0.000 0.000 0.193 78 Q C 0.851 176.924 176.000 0.122 0.000 1.212 78 Q CA 1.459 57.345 55.803 0.138 0.000 1.333 78 Q CB -0.849 28.023 28.738 0.223 0.000 1.455 78 Q HN 2.576 nan 8.270 nan 0.000 0.723 79 V N -4.411 115.612 119.914 0.182 0.000 2.468 79 V HA 0.487 4.607 4.120 -0.000 0.000 0.322 79 V C 0.552 176.782 176.094 0.226 0.000 1.928 79 V CA 0.280 62.678 62.300 0.164 0.000 0.843 79 V CB -0.585 31.297 31.823 0.099 0.000 1.173 79 V HN 2.049 nan 8.190 nan 0.000 0.266 80 A N -0.149 122.783 122.820 0.186 0.000 3.988 80 A HA 0.980 5.300 4.320 -0.000 0.000 0.172 80 A C 1.474 179.180 177.584 0.203 0.000 1.739 80 A CA 2.383 54.502 52.037 0.137 0.000 1.323 80 A CB -0.301 18.740 19.000 0.068 0.000 1.178 80 A HN 2.867 nan 8.150 nan 0.000 0.402 81 K N -1.801 118.632 120.400 0.055 0.000 2.603 81 K HA 0.520 4.840 4.320 -0.000 0.000 0.202 81 K C 0.600 176.892 176.600 -0.514 0.000 1.279 81 K CA 1.352 57.668 56.287 0.049 0.000 1.056 81 K CB 0.099 32.668 32.500 0.115 0.000 1.062 81 K HN 2.197 nan 8.250 nan 0.000 0.606 82 G N -1.561 106.827 108.800 -0.687 0.000 2.492 82 G HA2 0.550 4.510 3.960 -0.000 0.000 0.065 82 G HA3 0.550 4.510 3.960 -0.000 0.000 0.065 82 G C 0.662 175.276 174.900 -0.478 0.000 0.956 82 G CA 0.805 45.125 45.100 -1.300 0.000 1.223 82 G HN 1.857 nan 8.290 nan 0.000 0.511 83 L N -1.162 119.794 121.223 -0.444 0.000 1.641 83 L HA 0.212 4.552 4.340 -0.000 0.000 0.351 83 L C -1.387 175.495 176.870 0.020 0.000 1.082 83 L CA 1.790 56.557 54.840 -0.121 0.000 1.226 83 L CB -2.542 39.469 42.059 -0.081 0.000 0.561 83 L HN 1.099 nan 8.230 nan 0.000 0.249 84 P HA 0.851 nan 4.420 nan 0.000 0.341 84 P C -0.679 176.633 177.300 0.021 0.000 1.349 84 P CA 0.363 63.417 63.100 -0.077 0.000 0.830 84 P CB 0.364 31.835 31.700 -0.381 0.000 1.986 85 F N -1.528 118.252 119.950 -0.285 0.000 3.102 85 F HA 0.466 4.993 4.527 -0.000 0.000 0.359 85 F C -0.756 174.885 175.800 -0.266 0.000 1.243 85 F CA -0.180 57.683 58.000 -0.228 0.000 1.215 85 F CB 0.276 39.144 39.000 -0.219 0.000 1.549 85 F HN 0.547 nan 8.300 nan 0.000 0.657 86 A N 3.606 126.003 122.820 -0.706 0.000 2.822 86 A HA 0.187 4.507 4.320 -0.000 0.000 0.287 86 A C 1.852 179.213 177.584 -0.371 0.000 1.479 86 A CA 1.526 53.204 52.037 -0.597 0.000 0.779 86 A CB -2.136 16.384 19.000 -0.800 0.000 1.022 86 A HN 2.808 nan 8.150 nan 0.000 0.532 87 G N -2.205 106.353 108.800 -0.404 0.000 2.168 87 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.263 87 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.263 87 G C 0.131 174.737 174.900 -0.491 0.000 0.977 87 G CA 0.513 45.367 45.100 -0.409 0.000 0.659 87 G HN 1.553 nan 8.290 nan 0.000 0.533 88 I N 0.781 121.075 120.570 -0.460 0.000 2.291 88 I HA 0.382 4.552 4.170 -0.000 0.000 0.292 88 I C 1.081 177.005 176.117 -0.322 0.000 1.064 88 I CA -0.620 60.532 61.300 -0.246 0.000 1.269 88 I CB 0.372 38.318 38.000 -0.090 0.000 1.418 88 I HN -0.009 nan 8.210 nan 0.000 0.485 89 F N 2.066 122.023 119.950 0.012 0.000 2.437 89 F HA -0.079 4.448 4.527 -0.000 0.000 0.288 89 F C 2.679 178.480 175.800 0.001 0.000 1.085 89 F CA 0.711 58.716 58.000 0.008 0.000 1.430 89 F CB -0.494 38.509 39.000 0.004 0.000 1.120 89 F HN 0.478 nan 8.300 nan 0.000 0.556 90 T N -1.812 112.845 114.554 0.172 0.000 2.721 90 T HA -0.238 4.112 4.350 -0.000 0.000 0.268 90 T C 0.965 175.698 174.700 0.054 0.000 1.038 90 T CA 1.227 63.382 62.100 0.091 0.000 1.145 90 T CB -0.275 68.627 68.868 0.057 0.000 0.858 90 T HN 0.120 nan 8.240 nan 0.000 0.459 91 Q N 1.685 121.506 119.800 0.035 0.000 2.907 91 Q HA 0.473 4.813 4.340 -0.000 0.000 0.262 91 Q C 0.219 176.214 176.000 -0.007 0.000 0.997 91 Q CA -0.302 55.508 55.803 0.011 0.000 0.797 91 Q CB 1.209 29.949 28.738 0.004 0.000 1.228 91 Q HN 0.579 nan 8.270 nan 0.000 0.466 92 G N 0.812 109.609 108.800 -0.006 0.000 2.636 92 G HA2 0.321 4.281 3.960 -0.000 0.000 0.246 92 G HA3 0.321 4.281 3.960 -0.000 0.000 0.246 92 G C 0.157 175.018 174.900 -0.066 0.000 1.216 92 G CA -0.571 44.508 45.100 -0.035 0.000 0.854 92 G HN 0.476 nan 8.290 nan 0.000 0.572 93 L N 0.873 122.044 121.223 -0.086 0.000 2.477 93 L HA 0.077 4.416 4.340 -0.000 0.000 0.272 93 L C 0.041 176.798 176.870 -0.188 0.000 1.157 93 L CA -0.334 54.454 54.840 -0.087 0.000 0.889 93 L CB 0.517 42.570 42.059 -0.010 0.000 1.158 93 L HN 0.412 nan 8.230 nan 0.000 0.473 94 D N 3.042 123.397 120.400 -0.076 0.000 2.380 94 D HA 0.125 4.765 4.640 -0.000 0.000 0.230 94 D C 0.710 177.069 176.300 0.099 0.000 1.154 94 D CA -0.341 53.620 54.000 -0.064 0.000 0.859 94 D CB 0.702 41.496 40.800 -0.010 0.000 1.045 94 D HN 0.196 nan 8.370 nan 0.000 0.495 95 F N 2.078 122.049 119.950 0.035 0.000 2.333 95 F HA 0.089 4.616 4.527 -0.000 0.000 0.300 95 F C 2.497 178.316 175.800 0.033 0.000 1.083 95 F CA 0.650 58.670 58.000 0.033 0.000 1.395 95 F CB -0.926 38.111 39.000 0.062 0.000 1.056 95 F HN 0.535 nan 8.300 nan 0.000 0.529 96 G N -0.197 108.725 108.800 0.205 0.000 2.559 96 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.216 96 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.216 96 G C 1.557 176.510 174.900 0.089 0.000 1.126 96 G CA 0.249 45.426 45.100 0.128 0.000 0.778 96 G HN 0.379 nan 8.290 nan 0.000 0.543 97 L N 0.597 121.875 121.223 0.090 0.000 2.567 97 L HA 0.195 4.535 4.340 -0.000 0.000 0.225 97 L C 0.387 177.283 176.870 0.042 0.000 1.119 97 L CA -0.181 54.693 54.840 0.056 0.000 0.871 97 L CB 0.122 42.210 42.059 0.049 0.000 1.036 97 L HN 0.096 nan 8.230 nan 0.000 0.459 98 V N -3.558 116.386 119.914 0.050 0.000 2.459 98 V HA 0.383 4.503 4.120 -0.000 0.000 0.295 98 V C -0.415 175.688 176.094 0.016 0.000 1.029 98 V CA -1.090 61.220 62.300 0.016 0.000 0.874 98 V CB 1.905 33.724 31.823 -0.008 0.000 0.985 98 V HN -0.066 nan 8.190 nan 0.000 0.438 99 D N 3.044 123.448 120.400 0.007 0.000 2.389 99 D HA 0.407 5.047 4.640 -0.000 0.000 0.263 99 D C -0.059 176.254 176.300 0.022 0.000 1.255 99 D CA 1.124 55.133 54.000 0.016 0.000 0.914 99 D CB 0.376 41.185 40.800 0.015 0.000 1.116 99 D HN 1.066 nan 8.370 nan 0.000 0.502 100 T N 2.646 117.216 114.554 0.026 0.000 3.047 100 T HA 0.275 4.625 4.350 -0.000 0.000 0.340 100 T C 0.682 175.392 174.700 0.017 0.000 1.421 100 T CA -0.690 61.430 62.100 0.034 0.000 1.090 100 T CB 0.807 69.681 68.868 0.011 0.000 1.292 100 T HN 0.367 nan 8.240 nan 0.000 0.480 101 R N 1.309 121.805 120.500 -0.007 0.000 2.275 101 R HA 0.129 4.469 4.340 -0.000 0.000 0.199 101 R C 0.254 176.350 176.300 -0.340 0.000 0.989 101 R CA 0.558 56.552 56.100 -0.177 0.000 1.016 101 R CB 0.064 30.213 30.300 -0.253 0.000 0.918 101 R HN 0.540 nan 8.270 nan 0.000 0.473 102 H N 0.285 119.385 119.070 0.049 0.000 2.569 102 H HA 0.201 4.757 4.556 -0.000 0.000 0.247 102 H C -2.385 172.862 175.328 -0.135 0.000 1.346 102 H CA -2.153 53.914 56.048 0.032 0.000 1.502 102 H CB 1.510 31.126 29.762 -0.242 0.000 1.512 102 H HN -0.072 nan 8.280 nan 0.000 0.502 103 P HA 0.111 nan 4.420 nan 0.000 0.212 103 P C -0.975 176.578 177.300 0.421 0.000 1.816 103 P CA 0.038 63.265 63.100 0.212 0.000 0.944 103 P CB -0.663 31.185 31.700 0.248 0.000 1.896 104 Y N -3.109 117.263 120.300 0.121 0.000 2.713 104 Y HA 0.692 5.241 4.550 -0.000 0.000 0.335 104 Y C -0.701 175.270 175.900 0.117 0.000 1.222 104 Y CA -1.407 56.851 58.100 0.262 0.000 1.061 104 Y CB 0.482 39.069 38.460 0.213 0.000 1.314 104 Y HN -0.090 nan 8.280 nan 0.000 0.453 105 T N -0.891 113.888 114.554 0.375 0.000 2.823 105 T HA 0.658 5.008 4.350 -0.000 0.000 0.279 105 T C 0.093 174.930 174.700 0.229 0.000 0.998 105 T CA -0.327 61.886 62.100 0.189 0.000 0.994 105 T CB 1.303 70.350 68.868 0.299 0.000 0.960 105 T HN 1.343 nan 8.240 nan 0.000 0.448 106 G N 3.448 112.312 108.800 0.107 0.000 2.519 106 G HA2 0.433 4.392 3.960 -0.000 0.000 0.306 106 G HA3 0.433 4.392 3.960 -0.000 0.000 0.306 106 G C 0.309 175.266 174.900 0.096 0.000 0.965 106 G CA -0.781 44.407 45.100 0.147 0.000 1.291 106 G HN 0.886 nan 8.290 nan 0.000 0.450 107 L N 3.313 124.606 121.223 0.117 0.000 2.388 107 L HA 0.083 4.423 4.340 -0.000 0.000 0.252 107 L C -0.213 176.706 176.870 0.082 0.000 1.357 107 L CA -0.156 54.735 54.840 0.085 0.000 1.214 107 L CB -0.310 41.803 42.059 0.090 0.000 1.392 107 L HN 0.148 nan 8.230 nan 0.000 0.432 108 V N 2.476 122.441 119.914 0.085 0.000 2.334 108 V HA 0.301 4.421 4.120 -0.000 0.000 0.281 108 V C -2.039 174.097 176.094 0.069 0.000 1.016 108 V CA -2.031 60.328 62.300 0.098 0.000 0.832 108 V CB 1.255 33.193 31.823 0.191 0.000 0.999 108 V HN 0.364 nan 8.190 nan 0.000 0.439 109 P HA -0.002 nan 4.420 nan 0.000 0.264 109 P C 0.817 178.139 177.300 0.036 0.000 1.183 109 P CA 0.349 63.469 63.100 0.034 0.000 0.763 109 P CB 0.641 32.355 31.700 0.024 0.000 0.807 110 Q N 2.739 122.559 119.800 0.033 0.000 2.152 110 Q HA -0.226 4.114 4.340 -0.000 0.000 0.206 110 Q C 1.749 177.768 176.000 0.033 0.000 0.985 110 Q CA 2.366 58.192 55.803 0.038 0.000 0.863 110 Q CB -0.238 28.516 28.738 0.026 0.000 0.904 110 Q HN 0.597 nan 8.270 nan 0.000 0.422 111 S N 0.306 116.020 115.700 0.023 0.000 2.353 111 S HA -0.246 4.224 4.470 -0.000 0.000 0.222 111 S C 1.930 176.532 174.600 0.003 0.000 1.035 111 S CA 1.246 59.456 58.200 0.016 0.000 1.025 111 S CB -0.596 62.612 63.200 0.014 0.000 0.902 111 S HN 0.397 nan 8.310 nan 0.000 0.440 112 R N 1.159 121.655 120.500 -0.007 0.000 2.096 112 R HA -0.088 4.251 4.340 -0.000 0.000 0.235 112 R C 2.167 178.423 176.300 -0.072 0.000 1.127 112 R CA 1.794 57.868 56.100 -0.042 0.000 0.968 112 R CB -0.911 29.361 30.300 -0.046 0.000 0.861 112 R HN 0.544 nan 8.270 nan 0.000 0.440 113 T N 0.800 115.348 114.554 -0.009 0.000 2.674 113 T HA -0.125 4.225 4.350 -0.000 0.000 0.265 113 T C 1.493 176.220 174.700 0.046 0.000 1.039 113 T CA 1.564 63.694 62.100 0.050 0.000 1.150 113 T CB -0.157 68.811 68.868 0.166 0.000 0.864 113 T HN 0.430 nan 8.240 nan 0.000 0.427 114 E N 1.147 121.374 120.200 0.045 0.000 2.085 114 E HA -0.134 4.216 4.350 -0.000 0.000 0.194 114 E C 2.583 179.197 176.600 0.024 0.000 0.994 114 E CA 1.000 57.427 56.400 0.045 0.000 0.801 114 E CB -0.293 29.430 29.700 0.038 0.000 0.743 114 E HN 0.477 nan 8.360 nan 0.000 0.453 115 A N 1.451 124.267 122.820 -0.006 0.000 1.873 115 A HA -0.229 4.091 4.320 -0.000 0.000 0.218 115 A C 2.227 179.793 177.584 -0.031 0.000 1.193 115 A CA 1.455 53.480 52.037 -0.020 0.000 0.629 115 A CB -0.814 18.162 19.000 -0.040 0.000 0.826 115 A HN 0.144 nan 8.150 nan 0.000 0.447 116 L N -0.858 120.310 121.223 -0.091 0.000 1.994 116 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 116 L C 2.646 179.538 176.870 0.037 0.000 1.071 116 L CA 1.244 56.014 54.840 -0.116 0.000 0.745 116 L CB -0.755 41.040 42.059 -0.441 0.000 0.892 116 L HN 0.366 nan 8.230 nan 0.000 0.431 117 L N -0.163 121.114 121.223 0.089 0.000 2.079 117 L HA -0.214 4.126 4.340 -0.000 0.000 0.210 117 L C 2.914 179.868 176.870 0.140 0.000 1.081 117 L CA 1.144 56.075 54.840 0.151 0.000 0.752 117 L CB -0.777 41.370 42.059 0.147 0.000 0.896 117 L HN 0.275 nan 8.230 nan 0.000 0.433 118 A N -0.133 122.741 122.820 0.090 0.000 1.858 118 A HA -0.260 4.060 4.320 -0.000 0.000 0.216 118 A C 2.299 179.926 177.584 0.073 0.000 1.190 118 A CA 1.783 53.863 52.037 0.072 0.000 0.617 118 A CB -0.622 18.406 19.000 0.046 0.000 0.827 118 A HN 0.457 nan 8.150 nan 0.000 0.443 119 E N -0.925 119.313 120.200 0.064 0.000 2.130 119 E HA -0.333 4.017 4.350 -0.000 0.000 0.196 119 E C 1.818 178.465 176.600 0.078 0.000 0.998 119 E CA 1.837 58.270 56.400 0.054 0.000 0.806 119 E CB -0.287 29.436 29.700 0.038 0.000 0.738 119 E HN 0.838 nan 8.360 nan 0.000 0.459 120 H N -0.421 118.671 119.070 0.038 0.000 2.389 120 H HA 0.031 4.587 4.556 -0.000 0.000 0.299 120 H C 1.795 177.152 175.328 0.048 0.000 1.081 120 H CA 1.943 58.023 56.048 0.052 0.000 1.345 120 H CB -0.071 29.739 29.762 0.081 0.000 1.393 120 H HN 0.230 nan 8.280 nan 0.000 0.520 121 A N 0.106 122.995 122.820 0.115 0.000 1.968 121 A HA -0.115 4.205 4.320 -0.000 0.000 0.217 121 A C 2.492 180.074 177.584 -0.004 0.000 1.169 121 A CA 1.372 53.444 52.037 0.058 0.000 0.638 121 A CB -0.772 18.286 19.000 0.097 0.000 0.812 121 A HN 0.367 nan 8.150 nan 0.000 0.446 122 R N 0.253 120.755 120.500 0.002 0.000 2.080 122 R HA -0.174 4.166 4.340 -0.000 0.000 0.236 122 R C 1.839 178.118 176.300 -0.034 0.000 1.137 122 R CA 2.316 58.411 56.100 -0.009 0.000 0.943 122 R CB -1.318 28.983 30.300 0.002 0.000 0.846 122 R HN 0.742 nan 8.270 nan 0.000 0.431 123 E N -0.502 119.660 120.200 -0.063 0.000 2.338 123 E HA 0.103 4.453 4.350 -0.000 0.000 0.197 123 E C 1.940 178.476 176.600 -0.108 0.000 1.007 123 E CA 1.003 57.355 56.400 -0.081 0.000 0.849 123 E CB -0.168 29.477 29.700 -0.090 0.000 0.774 123 E HN 0.666 nan 8.360 nan 0.000 0.506 124 A N 0.005 122.739 122.820 -0.143 0.000 2.169 124 A HA 0.258 4.578 4.320 -0.000 0.000 0.212 124 A C 1.430 178.988 177.584 -0.044 0.000 1.153 124 A CA 0.768 52.734 52.037 -0.119 0.000 0.756 124 A CB -0.085 18.829 19.000 -0.142 0.000 0.813 124 A HN 0.264 nan 8.150 nan 0.000 0.471 125 G N -1.755 107.026 108.800 -0.032 0.000 2.526 125 G HA2 0.325 4.285 3.960 -0.000 0.000 0.225 125 G HA3 0.325 4.285 3.960 -0.000 0.000 0.225 125 G C -0.126 174.772 174.900 -0.004 0.000 1.120 125 G CA 0.023 45.114 45.100 -0.014 0.000 0.904 125 G HN 1.618 nan 8.290 nan 0.000 0.498 126 A N -0.649 122.169 122.820 -0.003 0.000 2.353 126 A HA 0.983 5.303 4.320 -0.000 0.000 0.299 126 A C 0.119 177.702 177.584 -0.003 0.000 1.089 126 A CA 0.818 52.856 52.037 0.003 0.000 0.736 126 A CB 0.950 19.960 19.000 0.017 0.000 1.195 126 A HN 1.988 nan 8.150 nan 0.000 0.447 127 E N 1.615 121.808 120.200 -0.012 0.000 2.415 127 E HA 0.419 4.769 4.350 -0.000 0.000 0.263 127 E C -0.266 176.318 176.600 -0.027 0.000 0.995 127 E CA 0.385 56.771 56.400 -0.024 0.000 0.915 127 E CB -0.194 29.483 29.700 -0.038 0.000 0.951 127 E HN 1.358 nan 8.360 nan 0.000 0.449 128 I N 0.057 120.612 120.570 -0.025 0.000 2.859 128 I HA 0.335 4.505 4.170 -0.000 0.000 0.296 128 I C -2.622 173.471 176.117 -0.040 0.000 1.300 128 I CA -2.605 58.682 61.300 -0.023 0.000 1.020 128 I CB 0.877 38.879 38.000 0.004 0.000 1.823 128 I HN 0.109 nan 8.210 nan 0.000 0.599 129 P HA 0.307 nan 4.420 nan 0.000 0.264 129 P C 0.144 177.412 177.300 -0.053 0.000 1.229 129 P CA 0.291 63.273 63.100 -0.195 0.000 0.780 129 P CB 0.287 31.578 31.700 -0.682 0.000 0.808 130 R N 2.252 122.811 120.500 0.099 0.000 2.204 130 R HA 0.581 4.921 4.340 -0.000 0.000 0.341 130 R C 0.846 177.286 176.300 0.232 0.000 1.035 130 R CA -0.110 56.073 56.100 0.139 0.000 0.887 130 R CB -0.401 29.947 30.300 0.080 0.000 1.114 130 R HN 0.794 nan 8.270 nan 0.000 0.473 131 G N 1.920 110.890 108.800 0.284 0.000 2.244 131 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.163 131 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.163 131 G C -0.449 174.461 174.900 0.016 0.000 1.064 131 G CA -0.273 44.906 45.100 0.132 0.000 0.757 131 G HN 0.831 nan 8.290 nan 0.000 0.484 132 H N 0.339 119.408 119.070 -0.002 0.000 2.761 132 H HA 0.285 4.841 4.556 -0.000 0.000 0.263 132 H C -0.214 175.094 175.328 -0.034 0.000 1.292 132 H CA -0.623 55.410 56.048 -0.025 0.000 1.540 132 H CB 1.342 31.113 29.762 0.015 0.000 1.569 132 H HN 0.448 nan 8.280 nan 0.000 0.510 133 E N 2.229 122.444 120.200 0.025 0.000 2.404 133 E HA 0.176 4.526 4.350 -0.000 0.000 0.261 133 E C -0.460 176.134 176.600 -0.010 0.000 1.074 133 E CA -0.451 55.951 56.400 0.004 0.000 0.917 133 E CB 1.179 30.867 29.700 -0.021 0.000 0.965 133 E HN 0.200 nan 8.360 nan 0.000 0.433 134 V N 4.059 123.968 119.914 -0.007 0.000 2.350 134 V HA 0.054 4.174 4.120 -0.000 0.000 0.276 134 V C 0.878 176.957 176.094 -0.024 0.000 1.028 134 V CA -0.249 62.044 62.300 -0.013 0.000 0.860 134 V CB 1.319 33.142 31.823 -0.000 0.000 0.990 134 V HN 0.861 nan 8.190 nan 0.000 0.453 135 T N 3.907 118.441 114.554 -0.033 0.000 2.809 135 T HA 0.151 4.501 4.350 -0.000 0.000 0.260 135 T C 0.900 175.585 174.700 -0.025 0.000 1.039 135 T CA 1.702 63.782 62.100 -0.033 0.000 1.141 135 T CB -0.023 68.820 68.868 -0.041 0.000 0.869 135 T HN 0.856 nan 8.240 nan 0.000 0.437 136 R N -0.735 119.753 120.500 -0.020 0.000 2.762 136 R HA 0.899 5.239 4.340 -0.000 0.000 0.271 136 R C -1.076 175.218 176.300 -0.011 0.000 1.038 136 R CA -0.243 55.847 56.100 -0.016 0.000 0.906 136 R CB 0.122 30.413 30.300 -0.015 0.000 1.259 136 R HN 0.499 nan 8.270 nan 0.000 0.457 137 L N -2.902 118.314 121.223 -0.012 0.000 2.192 137 L HA 1.106 5.446 4.340 -0.000 0.000 0.250 137 L C 0.586 177.449 176.870 -0.011 0.000 1.114 137 L CA -0.142 54.692 54.840 -0.010 0.000 1.065 137 L CB 0.307 42.358 42.059 -0.014 0.000 1.609 137 L HN 2.425 nan 8.230 nan 0.000 0.495 138 R N 0.644 121.135 120.500 -0.014 0.000 5.532 138 R HA 0.588 4.928 4.340 -0.000 0.000 0.254 138 R C -1.085 175.200 176.300 -0.025 0.000 0.953 138 R CA 0.226 56.316 56.100 -0.017 0.000 1.518 138 R CB -0.816 29.475 30.300 -0.014 0.000 1.203 138 R HN 1.591 nan 8.270 nan 0.000 0.691 139 Q N 1.503 121.286 119.800 -0.029 0.000 2.341 139 Q HA 0.565 4.905 4.340 -0.000 0.000 0.268 139 Q C 0.061 176.035 176.000 -0.044 0.000 1.013 139 Q CA 0.486 56.264 55.803 -0.040 0.000 0.798 139 Q CB 1.350 30.066 28.738 -0.036 0.000 1.253 139 Q HN 0.977 nan 8.270 nan 0.000 0.457 140 D N 1.537 121.904 120.400 -0.055 0.000 2.430 140 D HA 0.516 5.156 4.640 -0.000 0.000 0.285 140 D C 0.664 176.928 176.300 -0.062 0.000 1.210 140 D CA 0.331 54.300 54.000 -0.052 0.000 1.080 140 D CB 0.288 41.057 40.800 -0.052 0.000 1.134 140 D HN 0.642 nan 8.370 nan 0.000 0.562 141 A N -2.572 120.214 122.820 -0.058 0.000 2.169 141 A HA 0.495 4.815 4.320 -0.000 0.000 0.210 141 A C 1.897 179.434 177.584 -0.077 0.000 1.168 141 A CA 1.787 53.789 52.037 -0.058 0.000 0.813 141 A CB -0.085 18.891 19.000 -0.040 0.000 0.861 141 A HN 0.850 nan 8.150 nan 0.000 0.481 142 E N -1.096 119.051 120.200 -0.088 0.000 2.414 142 E HA 0.692 5.042 4.350 -0.000 0.000 0.208 142 E C 0.614 177.122 176.600 -0.152 0.000 0.820 142 E CA 0.927 57.265 56.400 -0.104 0.000 1.143 142 E CB 0.053 29.712 29.700 -0.069 0.000 1.150 142 E HN 1.218 nan 8.360 nan 0.000 0.540 143 A N -0.898 121.841 122.820 -0.135 0.000 2.583 143 A HA 0.778 5.098 4.320 -0.000 0.000 0.289 143 A C -1.239 176.272 177.584 -0.121 0.000 1.151 143 A CA -0.139 51.809 52.037 -0.149 0.000 0.695 143 A CB 1.594 20.533 19.000 -0.101 0.000 1.290 143 A HN 0.560 nan 8.150 nan 0.000 0.419 144 V N -0.239 119.612 119.914 -0.106 0.000 2.735 144 V HA 0.811 4.931 4.120 -0.000 0.000 0.310 144 V C 0.103 176.174 176.094 -0.038 0.000 1.061 144 V CA 0.031 62.289 62.300 -0.070 0.000 0.913 144 V CB 1.350 33.132 31.823 -0.068 0.000 1.005 144 V HN 1.357 nan 8.190 nan 0.000 0.428 145 E N 2.051 122.238 120.200 -0.023 0.000 2.199 145 E HA 0.716 5.066 4.350 -0.000 0.000 0.265 145 E C -0.788 175.816 176.600 0.006 0.000 0.882 145 E CA -0.587 55.811 56.400 -0.003 0.000 0.759 145 E CB 1.928 31.627 29.700 -0.001 0.000 1.148 145 E HN 1.263 nan 8.360 nan 0.000 0.412 146 V N -0.412 119.516 119.914 0.023 0.000 2.459 146 V HA 0.793 4.913 4.120 -0.000 0.000 0.295 146 V C 0.233 176.354 176.094 0.044 0.000 1.029 146 V CA -0.804 61.513 62.300 0.027 0.000 0.874 146 V CB 1.256 33.097 31.823 0.030 0.000 0.985 146 V HN 0.609 nan 8.190 nan 0.000 0.438 147 T N 4.821 119.388 114.554 0.021 0.000 2.794 147 T HA 0.560 4.910 4.350 -0.000 0.000 0.296 147 T C 0.074 174.762 174.700 -0.021 0.000 0.949 147 T CA -0.097 62.009 62.100 0.010 0.000 1.101 147 T CB 1.051 69.915 68.868 -0.008 0.000 0.905 147 T HN 0.703 nan 8.240 nan 0.000 0.516 148 V N 1.654 121.524 119.914 -0.073 0.000 2.919 148 V HA 0.836 4.956 4.120 -0.000 0.000 0.316 148 V C 0.042 175.943 176.094 -0.320 0.000 1.077 148 V CA -1.292 60.902 62.300 -0.176 0.000 0.977 148 V CB 1.907 33.616 31.823 -0.191 0.000 1.039 148 V HN 0.968 nan 8.190 nan 0.000 0.441 149 A N 1.799 124.463 122.820 -0.260 0.000 2.664 149 A HA 0.777 5.097 4.320 -0.000 0.000 0.338 149 A C 0.243 177.647 177.584 -0.301 0.000 1.280 149 A CA -0.026 51.857 52.037 -0.256 0.000 0.809 149 A CB 0.221 19.132 19.000 -0.148 0.000 1.114 149 A HN 1.097 nan 8.150 nan 0.000 0.479 150 G N 1.426 109.972 108.800 -0.424 0.000 2.502 150 G HA2 0.531 4.491 3.960 -0.000 0.000 0.305 150 G HA3 0.531 4.491 3.960 -0.000 0.000 0.305 150 G C -1.509 173.215 174.900 -0.294 0.000 1.190 150 G CA -1.521 43.297 45.100 -0.469 0.000 0.933 150 G HN 0.300 nan 8.290 nan 0.000 0.503 151 P HA -0.066 nan 4.420 nan 0.000 0.216 151 P C 1.990 179.245 177.300 -0.075 0.000 1.150 151 P CA 1.285 64.296 63.100 -0.147 0.000 0.837 151 P CB 0.227 31.855 31.700 -0.120 0.000 0.786 152 S N -1.399 114.281 115.700 -0.034 0.000 2.474 152 S HA 0.265 4.735 4.470 -0.000 0.000 0.235 152 S C 1.171 175.775 174.600 0.008 0.000 0.997 152 S CA 0.926 59.136 58.200 0.016 0.000 0.949 152 S CB -0.665 62.582 63.200 0.078 0.000 0.766 152 S HN 0.470 nan 8.310 nan 0.000 0.517 153 G N 0.990 109.767 108.800 -0.038 0.000 2.355 153 G HA2 0.131 4.091 3.960 -0.000 0.000 0.619 153 G HA3 0.131 4.091 3.960 -0.000 0.000 0.619 153 G C -3.456 171.373 174.900 -0.119 0.000 1.337 153 G CA -1.351 43.716 45.100 -0.056 0.000 0.993 153 G HN 0.012 nan 8.290 nan 0.000 0.599 154 P HA 0.507 nan 4.420 nan 0.000 0.271 154 P C -0.758 176.479 177.300 -0.104 0.000 1.238 154 P CA 0.440 63.427 63.100 -0.188 0.000 0.794 154 P CB 0.059 31.708 31.700 -0.084 0.000 0.959 155 Y N -4.023 116.288 120.300 0.018 0.000 2.527 155 Y HA 0.484 5.033 4.550 -0.000 0.000 0.328 155 Y C -3.281 172.630 175.900 0.017 0.000 1.216 155 Y CA -2.693 55.419 58.100 0.019 0.000 1.152 155 Y CB 0.101 38.577 38.460 0.027 0.000 1.342 155 Y HN 0.166 nan 8.280 nan 0.000 0.465 156 P HA 0.487 nan 4.420 nan 0.000 0.276 156 P C -1.120 176.290 177.300 0.183 0.000 1.252 156 P CA -0.538 62.665 63.100 0.172 0.000 0.802 156 P CB 1.598 33.350 31.700 0.086 0.000 1.035 157 V N 1.315 121.298 119.914 0.115 0.000 2.752 157 V HA 0.340 4.460 4.120 -0.000 0.000 0.302 157 V C -0.186 175.925 176.094 0.028 0.000 1.133 157 V CA -0.617 61.722 62.300 0.066 0.000 0.919 157 V CB 2.031 33.913 31.823 0.098 0.000 1.026 157 V HN 0.432 nan 8.190 nan 0.000 0.429 158 R N 2.339 122.841 120.500 0.003 0.000 2.474 158 R HA 0.902 5.242 4.340 -0.000 0.000 0.295 158 R C -0.459 175.832 176.300 -0.016 0.000 0.980 158 R CA -0.275 55.819 56.100 -0.011 0.000 0.934 158 R CB 2.019 32.308 30.300 -0.018 0.000 1.101 158 R HN 0.909 nan 8.270 nan 0.000 0.469 159 A N 1.105 123.909 122.820 -0.026 0.000 2.605 159 A HA 0.268 4.588 4.320 -0.000 0.000 0.294 159 A C 0.414 177.960 177.584 -0.064 0.000 1.062 159 A CA -0.850 51.172 52.037 -0.025 0.000 0.682 159 A CB 1.447 20.447 19.000 -0.001 0.000 1.278 159 A HN 0.616 nan 8.150 nan 0.000 0.410 160 R N -0.431 120.030 120.500 -0.065 0.000 2.081 160 R HA 0.031 4.371 4.340 -0.000 0.000 0.235 160 R C -0.074 175.971 176.300 -0.425 0.000 1.131 160 R CA 1.916 57.898 56.100 -0.196 0.000 0.960 160 R CB -0.800 29.455 30.300 -0.076 0.000 0.856 160 R HN 0.682 nan 8.270 nan 0.000 0.436 161 Y N -1.786 118.491 120.300 -0.038 0.000 2.524 161 Y HA 0.652 5.202 4.550 -0.000 0.000 0.347 161 Y C 0.580 176.458 175.900 -0.038 0.000 1.005 161 Y CA -0.961 57.113 58.100 -0.044 0.000 1.025 161 Y CB 2.454 40.877 38.460 -0.062 0.000 1.275 161 Y HN 0.197 nan 8.280 nan 0.000 0.460 162 G N 1.354 110.225 108.800 0.119 0.000 2.626 162 G HA2 0.581 4.541 3.960 -0.000 0.000 0.304 162 G HA3 0.581 4.541 3.960 -0.000 0.000 0.304 162 G C -1.884 173.044 174.900 0.047 0.000 1.385 162 G CA -0.655 44.480 45.100 0.058 0.000 0.957 162 G HN 0.420 nan 8.290 nan 0.000 0.504 163 V N 1.543 121.470 119.914 0.022 0.000 2.459 163 V HA 0.707 4.827 4.120 -0.000 0.000 0.295 163 V C 0.861 176.952 176.094 -0.005 0.000 1.029 163 V CA -0.657 61.643 62.300 -0.001 0.000 0.874 163 V CB 1.794 33.598 31.823 -0.032 0.000 0.985 163 V HN 0.875 nan 8.190 nan 0.000 0.438 164 G N 2.227 111.019 108.800 -0.013 0.000 2.391 164 G HA2 0.366 4.325 3.960 -0.000 0.000 0.305 164 G HA3 0.366 4.325 3.960 -0.000 0.000 0.305 164 G C 0.071 174.953 174.900 -0.030 0.000 1.072 164 G CA -0.120 44.962 45.100 -0.029 0.000 1.016 164 G HN 0.851 nan 8.290 nan 0.000 0.418 165 C N 3.443 122.732 119.300 -0.019 0.000 2.778 165 C HA 0.258 4.718 4.460 -0.000 0.000 0.252 165 C C 0.654 175.636 174.990 -0.012 0.000 1.693 165 C CA -1.133 57.878 59.018 -0.011 0.000 1.724 165 C CB -1.470 26.275 27.740 0.010 0.000 3.153 165 C HN 0.850 nan 8.230 nan 0.000 0.493 166 D N 0.946 121.330 120.400 -0.027 0.000 2.399 166 D HA 0.421 5.061 4.640 -0.000 0.000 0.288 166 D C 1.176 177.459 176.300 -0.029 0.000 1.197 166 D CA -0.061 53.926 54.000 -0.022 0.000 1.081 166 D CB -0.375 40.409 40.800 -0.027 0.000 1.139 166 D HN 0.205 nan 8.370 nan 0.000 0.554 167 G N -1.925 106.860 108.800 -0.025 0.000 2.485 167 G HA2 0.371 4.331 3.960 -0.000 0.000 0.260 167 G HA3 0.371 4.331 3.960 -0.000 0.000 0.260 167 G C 0.908 175.786 174.900 -0.036 0.000 1.459 167 G CA -0.157 44.931 45.100 -0.020 0.000 1.060 167 G HN 0.512 nan 8.290 nan 0.000 0.546 168 G N -1.214 107.578 108.800 -0.012 0.000 2.603 168 G HA2 -0.011 3.948 3.960 -0.000 0.000 0.214 168 G HA3 -0.011 3.948 3.960 -0.000 0.000 0.214 168 G C 1.359 176.254 174.900 -0.009 0.000 1.140 168 G CA -0.159 44.946 45.100 0.008 0.000 0.800 168 G HN 0.451 nan 8.290 nan 0.000 0.533 169 R N 1.184 121.676 120.500 -0.014 0.000 2.788 169 R HA 0.216 4.556 4.340 -0.000 0.000 0.264 169 R C 0.705 176.961 176.300 -0.073 0.000 1.267 169 R CA -0.141 55.941 56.100 -0.030 0.000 1.213 169 R CB 0.133 30.431 30.300 -0.003 0.000 1.256 169 R HN 0.185 nan 8.270 nan 0.000 0.556 170 S N 1.272 116.904 115.700 -0.114 0.000 2.885 170 S HA -0.100 4.370 4.470 -0.000 0.000 0.334 170 S C 1.700 176.229 174.600 -0.118 0.000 1.224 170 S CA 0.310 58.438 58.200 -0.121 0.000 1.080 170 S CB 0.523 63.623 63.200 -0.168 0.000 0.801 170 S HN 0.557 nan 8.310 nan 0.000 0.510 171 T N 3.142 117.650 114.554 -0.077 0.000 2.777 171 T HA -0.106 4.244 4.350 -0.000 0.000 0.266 171 T C 1.779 176.436 174.700 -0.072 0.000 1.040 171 T CA 1.427 63.487 62.100 -0.065 0.000 1.141 171 T CB -0.663 68.180 68.868 -0.043 0.000 0.868 171 T HN 0.486 nan 8.240 nan 0.000 0.444 172 V N 1.878 121.751 119.914 -0.069 0.000 2.453 172 V HA -0.188 3.932 4.120 -0.000 0.000 0.252 172 V C 2.920 178.962 176.094 -0.086 0.000 1.068 172 V CA 2.150 64.412 62.300 -0.063 0.000 1.070 172 V CB -0.955 30.836 31.823 -0.052 0.000 0.664 172 V HN 0.491 nan 8.190 nan 0.000 0.461 173 R N 0.716 121.134 120.500 -0.136 0.000 2.092 173 R HA -0.192 4.148 4.340 -0.000 0.000 0.231 173 R C 2.587 178.798 176.300 -0.148 0.000 1.119 173 R CA 1.800 57.790 56.100 -0.185 0.000 0.970 173 R CB -0.168 29.923 30.300 -0.348 0.000 0.864 173 R HN 0.666 nan 8.270 nan 0.000 0.440 174 R N 0.182 120.605 120.500 -0.129 0.000 2.090 174 R HA -0.007 4.333 4.340 -0.000 0.000 0.228 174 R C 1.855 178.123 176.300 -0.054 0.000 1.110 174 R CA 1.262 57.311 56.100 -0.085 0.000 0.973 174 R CB -0.549 29.709 30.300 -0.070 0.000 0.869 174 R HN 0.235 nan 8.270 nan 0.000 0.440 175 L N 0.346 121.538 121.223 -0.052 0.000 2.551 175 L HA 0.134 4.474 4.340 -0.000 0.000 0.228 175 L C 1.878 178.730 176.870 -0.030 0.000 1.153 175 L CA 0.774 55.593 54.840 -0.036 0.000 0.851 175 L CB -0.130 41.909 42.059 -0.032 0.000 0.959 175 L HN 0.442 nan 8.230 nan 0.000 0.451 176 A N -0.464 122.335 122.820 -0.035 0.000 2.431 176 A HA 0.573 4.893 4.320 -0.000 0.000 0.239 176 A C 1.109 178.680 177.584 -0.021 0.000 1.230 176 A CA 0.332 52.353 52.037 -0.025 0.000 0.928 176 A CB 0.193 19.179 19.000 -0.024 0.000 1.006 176 A HN 0.253 nan 8.150 nan 0.000 0.520 177 A N 0.521 123.326 122.820 -0.026 0.000 1.701 177 A HA -0.021 4.299 4.320 -0.000 0.000 0.223 177 A C -0.816 176.765 177.584 -0.005 0.000 1.303 177 A CA 1.031 53.059 52.037 -0.014 0.000 0.689 177 A CB -1.456 17.542 19.000 -0.004 0.000 1.177 177 A HN 0.363 nan 8.150 nan 0.000 0.227 178 D N 0.088 120.481 120.400 -0.012 0.000 2.896 178 D HA 0.773 5.413 4.640 -0.000 0.000 0.241 178 D C 0.237 176.587 176.300 0.082 0.000 1.188 178 D CA 0.746 54.762 54.000 0.026 0.000 0.879 178 D CB 1.622 42.428 40.800 0.010 0.000 1.553 178 D HN 1.279 nan 8.370 nan 0.000 0.515 179 R N 1.812 122.407 120.500 0.158 0.000 2.483 179 R HA 0.582 4.922 4.340 -0.000 0.000 0.303 179 R C -0.169 176.280 176.300 0.249 0.000 0.987 179 R CA -0.837 55.429 56.100 0.276 0.000 0.881 179 R CB 0.060 30.470 30.300 0.182 0.000 1.177 179 R HN 0.592 nan 8.270 nan 0.000 0.451 180 F N 1.769 121.765 119.950 0.076 0.000 2.986 180 F HA -0.178 4.349 4.527 -0.000 0.000 0.309 180 F C -2.053 173.785 175.800 0.063 0.000 0.884 180 F CA 0.053 58.094 58.000 0.069 0.000 1.263 180 F CB -1.313 37.709 39.000 0.036 0.000 1.315 180 F HN 0.598 nan 8.300 nan 0.000 0.595 181 P HA 0.441 nan 4.420 nan 0.000 0.211 181 P C 1.127 178.323 177.300 -0.174 0.000 1.158 181 P CA 1.516 64.587 63.100 -0.049 0.000 0.704 181 P CB -0.098 31.601 31.700 -0.000 0.000 0.618 182 G N -2.128 106.600 108.800 -0.119 0.000 2.631 182 G HA2 0.134 4.094 3.960 -0.000 0.000 0.504 182 G HA3 0.134 4.094 3.960 -0.000 0.000 0.504 182 G C -0.514 174.350 174.900 -0.059 0.000 1.306 182 G CA -0.306 44.719 45.100 -0.125 0.000 0.897 182 G HN 0.684 nan 8.290 nan 0.000 0.520 183 T N -1.557 112.974 114.554 -0.038 0.000 2.940 183 T HA 0.718 5.068 4.350 -0.000 0.000 0.288 183 T C -0.310 174.394 174.700 0.007 0.000 1.033 183 T CA -0.532 61.563 62.100 -0.007 0.000 1.033 183 T CB 2.228 71.098 68.868 0.004 0.000 1.079 183 T HN 0.713 nan 8.240 nan 0.000 0.496 184 E N 0.964 121.174 120.200 0.017 0.000 2.366 184 E HA 0.513 4.863 4.350 -0.000 0.000 0.266 184 E C 0.196 176.822 176.600 0.043 0.000 1.051 184 E CA -0.585 55.834 56.400 0.031 0.000 0.884 184 E CB 0.580 30.297 29.700 0.029 0.000 1.006 184 E HN 0.926 nan 8.360 nan 0.000 0.417 185 A N 1.476 124.332 122.820 0.061 0.000 2.425 185 A HA 0.354 4.674 4.320 -0.000 0.000 0.249 185 A C 0.748 178.376 177.584 0.073 0.000 1.084 185 A CA 0.151 52.238 52.037 0.083 0.000 0.781 185 A CB -0.014 19.050 19.000 0.108 0.000 1.019 185 A HN 0.687 nan 8.150 nan 0.000 0.490 186 T N -1.222 113.376 114.554 0.073 0.000 3.262 186 T HA 0.404 4.754 4.350 -0.000 0.000 0.300 186 T C -0.300 174.447 174.700 0.078 0.000 0.959 186 T CA 0.007 62.144 62.100 0.061 0.000 0.936 186 T CB -0.433 68.451 68.868 0.027 0.000 1.169 186 T HN 0.440 nan 8.240 nan 0.000 0.532 187 V N 1.530 121.511 119.914 0.111 0.000 2.525 187 V HA 0.841 4.961 4.120 -0.000 0.000 0.299 187 V C 0.145 176.365 176.094 0.211 0.000 1.034 187 V CA -0.954 61.425 62.300 0.131 0.000 0.863 187 V CB 1.411 33.258 31.823 0.039 0.000 0.999 187 V HN 0.688 nan 8.190 nan 0.000 0.423 188 R N 2.851 123.466 120.500 0.192 0.000 2.407 188 R HA 0.924 5.264 4.340 -0.000 0.000 0.303 188 R C -0.151 176.256 176.300 0.178 0.000 0.981 188 R CA -0.138 56.054 56.100 0.154 0.000 0.905 188 R CB 1.559 31.889 30.300 0.049 0.000 1.099 188 R HN 1.480 nan 8.270 nan 0.000 0.459 189 A N 2.870 125.804 122.820 0.190 0.000 2.457 189 A HA 0.629 4.949 4.320 -0.000 0.000 0.283 189 A C -0.728 176.919 177.584 0.105 0.000 1.166 189 A CA -0.509 51.651 52.037 0.204 0.000 0.740 189 A CB 0.630 19.833 19.000 0.338 0.000 1.181 189 A HN 0.670 nan 8.150 nan 0.000 0.446 190 L N 2.842 124.098 121.223 0.055 0.000 2.289 190 L HA 0.831 5.171 4.340 -0.000 0.000 0.285 190 L C 0.335 177.232 176.870 0.045 0.000 1.049 190 L CA -0.367 54.474 54.840 0.002 0.000 0.804 190 L CB 1.212 43.254 42.059 -0.028 0.000 1.195 190 L HN 0.686 nan 8.230 nan 0.000 0.428 191 I N 0.595 121.193 120.570 0.047 0.000 2.892 191 I HA 1.041 5.211 4.170 -0.000 0.000 0.306 191 I C 0.264 176.409 176.117 0.046 0.000 1.078 191 I CA -0.581 60.766 61.300 0.079 0.000 1.032 191 I CB 1.919 40.011 38.000 0.154 0.000 1.229 191 I HN 0.703 nan 8.210 nan 0.000 0.435 192 G N -0.149 108.679 108.800 0.046 0.000 2.433 192 G HA2 0.706 4.666 3.960 -0.000 0.000 0.306 192 G HA3 0.706 4.666 3.960 -0.000 0.000 0.306 192 G C -1.049 173.868 174.900 0.029 0.000 1.627 192 G CA 0.278 45.397 45.100 0.031 0.000 0.893 192 G HN 2.376 nan 8.290 nan 0.000 0.648 193 Y N -0.104 120.212 120.300 0.028 0.000 2.402 193 Y HA 0.772 5.322 4.550 -0.000 0.000 0.333 193 Y C 0.500 176.409 175.900 0.016 0.000 1.076 193 Y CA -0.380 57.734 58.100 0.024 0.000 1.299 193 Y CB 1.386 39.861 38.460 0.024 0.000 1.197 193 Y HN 2.065 nan 8.280 nan 0.000 0.517 194 V N 3.071 122.994 119.914 0.015 0.000 2.950 194 V HA 0.619 4.739 4.120 -0.000 0.000 0.295 194 V C -0.300 175.800 176.094 0.010 0.000 1.297 194 V CA -0.214 62.092 62.300 0.011 0.000 0.962 194 V CB 1.742 33.570 31.823 0.008 0.000 1.081 194 V HN 1.193 nan 8.190 nan 0.000 0.432 195 T N 2.830 117.389 114.554 0.008 0.000 2.833 195 T HA 0.286 4.636 4.350 -0.000 0.000 0.312 195 T C 0.562 175.265 174.700 0.005 0.000 1.085 195 T CA 0.463 62.567 62.100 0.007 0.000 0.955 195 T CB 0.466 69.337 68.868 0.006 0.000 1.353 195 T HN 1.170 nan 8.240 nan 0.000 0.544 196 T N 2.247 116.803 114.554 0.004 0.000 2.819 196 T HA -0.019 4.331 4.350 -0.000 0.000 0.320 196 T C -1.828 172.874 174.700 0.003 0.000 1.044 196 T CA -0.535 61.567 62.100 0.003 0.000 1.135 196 T CB -0.540 68.329 68.868 0.003 0.000 1.089 196 T HN 0.410 nan 8.240 nan 0.000 0.502 201 V N 1.673 121.585 119.914 -0.002 0.000 2.294 201 V HA 0.619 4.739 4.120 -0.000 0.000 0.258 201 V C -1.432 174.660 176.094 -0.004 0.000 1.080 201 V CA -0.530 61.768 62.300 -0.003 0.000 1.128 201 V CB -0.301 31.520 31.823 -0.004 0.000 1.323 201 V HN 0.554 nan 8.190 nan 0.000 0.498 202 P HA 0.653 nan 4.420 nan 0.000 0.285 202 P C 0.520 177.815 177.300 -0.007 0.000 1.372 202 P CA 1.031 64.129 63.100 -0.004 0.000 0.764 202 P CB 0.172 31.871 31.700 -0.002 0.000 1.744 203 R N -1.935 118.560 120.500 -0.008 0.000 2.947 203 R HA 0.859 5.199 4.340 -0.000 0.000 0.253 203 R C 0.265 176.555 176.300 -0.016 0.000 1.208 203 R CA -0.079 56.012 56.100 -0.014 0.000 1.012 203 R CB -0.281 30.009 30.300 -0.016 0.000 1.267 203 R HN 0.470 nan 8.270 nan 0.000 0.473 204 R N -1.713 118.770 120.500 -0.028 0.000 2.617 204 R HA 0.475 4.815 4.340 -0.000 0.000 0.432 204 R C 0.056 176.321 176.300 -0.058 0.000 1.018 204 R CA 0.413 56.494 56.100 -0.033 0.000 1.077 204 R CB -0.742 29.539 30.300 -0.032 0.000 1.394 204 R HN 1.780 nan 8.270 nan 0.000 0.608 205 W N -0.285 120.982 121.300 -0.055 0.000 2.497 205 W HA 0.618 5.278 4.660 -0.000 0.000 0.359 205 W C 0.995 177.493 176.519 -0.035 0.000 1.131 205 W CA -0.220 57.074 57.345 -0.084 0.000 1.280 205 W CB 0.994 30.409 29.460 -0.075 0.000 1.319 205 W HN 0.655 nan 8.180 nan 0.000 0.626 206 E N 1.066 121.254 120.200 -0.021 0.000 2.001 206 E HA 0.209 4.559 4.350 -0.000 0.000 0.193 206 E C 1.498 178.137 176.600 0.064 0.000 0.994 206 E CA 2.646 59.094 56.400 0.079 0.000 0.815 206 E CB -0.284 29.552 29.700 0.227 0.000 0.770 206 E HN 1.711 nan 8.360 nan 0.000 0.453 207 R N -0.382 120.157 120.500 0.066 0.000 1.094 207 R HA -0.087 4.253 4.340 -0.000 0.000 0.425 207 R C -0.192 176.138 176.300 0.050 0.000 1.354 207 R CA 0.879 57.007 56.100 0.046 0.000 1.170 207 R CB -3.112 27.203 30.300 0.026 0.000 3.409 207 R HN 0.815 nan 8.270 nan 0.000 0.505 208 T N 2.223 116.802 114.554 0.041 0.000 3.327 208 T HA 0.610 4.960 4.350 -0.000 0.000 0.373 208 T C -2.100 172.613 174.700 0.021 0.000 1.589 208 T CA -1.144 60.974 62.100 0.031 0.000 1.497 208 T CB 1.538 70.422 68.868 0.027 0.000 1.032 208 T HN 0.744 nan 8.240 nan 0.000 0.640 209 P HA 0.237 nan 4.420 nan 0.000 0.278 209 P C -0.580 176.728 177.300 0.013 0.000 1.270 209 P CA -0.247 62.862 63.100 0.016 0.000 0.800 209 P CB 0.412 32.123 31.700 0.018 0.000 1.142 210 D N -0.790 119.616 120.400 0.010 0.000 2.317 210 D HA 0.449 5.089 4.640 -0.000 0.000 0.234 210 D C 1.253 177.562 176.300 0.016 0.000 1.112 210 D CA 0.217 54.223 54.000 0.009 0.000 0.840 210 D CB 0.516 41.317 40.800 0.002 0.000 1.078 210 D HN 0.627 nan 8.370 nan 0.000 0.486 211 G N 0.188 109.001 108.800 0.021 0.000 2.428 211 G HA2 0.106 4.066 3.960 -0.000 0.000 0.199 211 G HA3 0.106 4.066 3.960 -0.000 0.000 0.199 211 G C 0.361 175.289 174.900 0.047 0.000 1.005 211 G CA 0.287 45.407 45.100 0.033 0.000 0.671 211 G HN 0.956 nan 8.290 nan 0.000 0.485 212 I N -1.014 119.579 120.570 0.039 0.000 3.203 212 I HA 0.854 5.024 4.170 -0.000 0.000 0.321 212 I C -1.402 174.735 176.117 0.035 0.000 1.415 212 I CA -0.272 61.054 61.300 0.044 0.000 0.909 212 I CB 1.197 39.229 38.000 0.054 0.000 1.260 212 I HN 1.675 nan 8.210 nan 0.000 0.499 213 L N 0.010 121.258 121.223 0.041 0.000 2.476 213 L HA 0.936 5.276 4.340 -0.000 0.000 0.269 213 L C -0.666 176.237 176.870 0.055 0.000 0.965 213 L CA -0.775 54.091 54.840 0.043 0.000 0.845 213 L CB 0.730 42.811 42.059 0.036 0.000 1.259 213 L HN 1.614 nan 8.230 nan 0.000 0.403 214 V N 4.897 124.841 119.914 0.050 0.000 3.302 214 V HA 0.732 4.852 4.120 -0.000 0.000 0.316 214 V C -0.808 175.320 176.094 0.057 0.000 1.111 214 V CA -0.677 61.653 62.300 0.051 0.000 1.029 214 V CB 2.068 33.913 31.823 0.037 0.000 1.170 214 V HN 0.957 nan 8.190 nan 0.000 0.452 215 L N 2.959 124.214 121.223 0.054 0.000 2.811 215 L HA 0.740 5.080 4.340 -0.000 0.000 0.251 215 L C -0.623 176.272 176.870 0.042 0.000 0.971 215 L CA -0.001 54.871 54.840 0.055 0.000 0.990 215 L CB 0.796 42.902 42.059 0.077 0.000 1.320 215 L HN 0.868 nan 8.230 nan 0.000 0.473 216 A N 3.307 126.143 122.820 0.027 0.000 2.288 216 A HA 0.977 5.297 4.320 -0.000 0.000 0.328 216 A C -0.815 176.777 177.584 0.014 0.000 1.123 216 A CA 0.146 52.196 52.037 0.021 0.000 0.861 216 A CB 1.402 20.411 19.000 0.015 0.000 1.272 216 A HN 1.516 nan 8.150 nan 0.000 0.490 217 F N 0.357 120.315 119.950 0.013 0.000 3.055 217 F HA 0.647 5.174 4.527 -0.000 0.000 0.358 217 F C -3.383 172.422 175.800 0.008 0.000 1.262 217 F CA -1.438 56.567 58.000 0.008 0.000 1.172 217 F CB 1.407 40.415 39.000 0.012 0.000 1.503 217 F HN 0.514 nan 8.300 nan 0.000 0.621 218 P HA 0.504 nan 4.420 nan 0.000 0.271 218 P C -3.007 174.294 177.300 0.001 0.000 1.579 218 P CA -1.579 61.523 63.100 0.004 0.000 1.295 218 P CB 2.233 33.935 31.700 0.003 0.000 1.136 219 P HA 0.048 nan 4.420 nan 0.000 0.261 219 P C 0.003 177.303 177.300 0.000 0.000 1.650 219 P CA 0.130 63.230 63.100 0.001 0.000 0.846 219 P CB -0.735 30.966 31.700 0.002 0.000 1.758 220 E N -1.749 118.451 120.200 0.000 0.000 2.365 220 E HA -0.177 4.173 4.350 -0.000 0.000 0.237 220 E C 0.639 177.239 176.600 0.001 0.000 1.238 220 E CA 0.891 57.291 56.400 0.000 0.000 0.718 220 E CB -2.395 27.304 29.700 -0.001 0.000 1.218 220 E HN 0.494 nan 8.360 nan 0.000 0.387 227 W N -0.027 121.293 121.300 0.034 0.000 3.372 227 W HA 0.880 5.540 4.660 -0.000 0.000 0.315 227 W C -0.710 175.837 176.519 0.048 0.000 1.223 227 W CA -0.618 56.748 57.345 0.035 0.000 1.202 227 W CB 1.810 31.285 29.460 0.025 0.000 1.367 227 W HN 1.459 nan 8.180 nan 0.000 0.531 228 S N 1.863 117.596 115.700 0.056 0.000 2.614 228 S HA 0.677 5.146 4.470 -0.000 0.000 0.275 228 S C -1.211 173.435 174.600 0.076 0.000 1.161 228 S CA 0.245 58.491 58.200 0.075 0.000 0.969 228 S CB 1.500 64.754 63.200 0.090 0.000 1.059 228 S HN 1.802 nan 8.310 nan 0.000 0.482 229 S N 3.178 118.926 115.700 0.081 0.000 2.736 229 S HA 0.662 5.132 4.470 -0.000 0.000 0.285 229 S C -1.200 173.459 174.600 0.098 0.000 1.163 229 S CA -0.448 57.797 58.200 0.073 0.000 1.025 229 S CB 1.167 64.391 63.200 0.042 0.000 1.030 229 S HN 0.659 nan 8.310 nan 0.000 0.486 230 S N 3.169 118.936 115.700 0.112 0.000 2.451 230 S HA 0.647 5.117 4.470 -0.000 0.000 0.301 230 S C -0.610 174.046 174.600 0.093 0.000 1.116 230 S CA -0.672 57.611 58.200 0.137 0.000 1.093 230 S CB 1.610 64.902 63.200 0.153 0.000 1.017 230 S HN 0.611 nan 8.310 nan 0.000 0.482 231 S N 1.913 117.676 115.700 0.106 0.000 2.502 231 S HA 0.499 4.969 4.470 -0.000 0.000 0.304 231 S C -0.369 174.335 174.600 0.174 0.000 1.097 231 S CA -0.678 57.607 58.200 0.142 0.000 1.045 231 S CB 1.520 64.809 63.200 0.148 0.000 1.019 231 S HN 0.632 nan 8.310 nan 0.000 0.481 232 T N 2.405 117.030 114.554 0.119 0.000 2.753 232 T HA 0.585 4.935 4.350 -0.000 0.000 0.297 232 T C 0.778 175.497 174.700 0.033 0.000 0.981 232 T CA 0.114 62.250 62.100 0.060 0.000 0.956 232 T CB 0.722 69.593 68.868 0.004 0.000 0.936 232 T HN 1.022 nan 8.240 nan 0.000 0.463 233 G N 2.998 111.807 108.800 0.015 0.000 2.188 233 G HA2 -0.103 3.856 3.960 -0.000 0.000 0.112 233 G HA3 -0.103 3.856 3.960 -0.000 0.000 0.112 233 G C -0.524 174.226 174.900 -0.250 0.000 1.048 233 G CA -0.797 44.240 45.100 -0.104 0.000 0.720 233 G HN 0.767 nan 8.290 nan 0.000 0.487 234 H N 0.847 119.931 119.070 0.024 0.000 2.589 234 H HA 0.666 5.222 4.556 -0.000 0.000 0.335 234 H C 0.417 175.764 175.328 0.031 0.000 1.019 234 H CA 0.252 56.316 56.048 0.026 0.000 1.213 234 H CB 1.642 31.422 29.762 0.030 0.000 1.472 234 H HN 0.359 nan 8.280 nan 0.000 0.508 240 E N -1.933 118.269 120.200 0.003 0.000 8.367 240 E HA 0.486 4.835 4.350 -0.000 0.000 0.467 240 E C 0.904 177.500 176.600 -0.007 0.000 0.968 240 E CA 0.533 56.931 56.400 -0.003 0.000 1.684 240 E CB -1.314 28.384 29.700 -0.003 0.000 0.997 240 E HN 2.460 nan 8.360 nan 0.000 0.275 241 G N 2.283 111.075 108.800 -0.013 0.000 1.875 241 G HA2 0.600 4.560 3.960 -0.000 0.000 0.218 241 G HA3 0.600 4.560 3.960 -0.000 0.000 0.218 241 G C -2.268 172.614 174.900 -0.030 0.000 1.648 241 G CA 0.082 45.171 45.100 -0.019 0.000 0.941 241 G HN 0.987 nan 8.290 nan 0.000 0.689 242 P HA 0.604 nan 4.420 nan 0.000 0.276 242 P C -0.334 176.938 177.300 -0.047 0.000 1.244 242 P CA -0.710 62.364 63.100 -0.042 0.000 0.801 242 P CB 1.645 33.325 31.700 -0.035 0.000 1.006 243 V N 1.032 120.909 119.914 -0.063 0.000 2.465 243 V HA 0.395 4.515 4.120 -0.000 0.000 0.279 243 V C 0.134 176.198 176.094 -0.050 0.000 1.045 243 V CA 0.107 62.368 62.300 -0.064 0.000 0.938 243 V CB 1.233 33.001 31.823 -0.093 0.000 0.986 243 V HN 0.792 nan 8.190 nan 0.000 0.467 244 T N 5.172 119.702 114.554 -0.040 0.000 2.949 244 T HA 0.336 4.686 4.350 -0.000 0.000 0.287 244 T C 0.911 175.595 174.700 -0.027 0.000 1.034 244 T CA -0.426 61.656 62.100 -0.030 0.000 1.018 244 T CB 1.415 70.269 68.868 -0.023 0.000 1.135 244 T HN 0.663 nan 8.240 nan 0.000 0.532 245 L N 1.680 122.891 121.223 -0.020 0.000 2.017 245 L HA 0.018 4.358 4.340 -0.000 0.000 0.208 245 L C 3.003 179.864 176.870 -0.015 0.000 1.073 245 L CA 2.602 57.433 54.840 -0.016 0.000 0.745 245 L CB -1.064 40.988 42.059 -0.011 0.000 0.894 245 L HN 1.016 nan 8.230 nan 0.000 0.432 246 E N -0.796 119.395 120.200 -0.014 0.000 2.265 246 E HA -0.301 4.049 4.350 -0.000 0.000 0.196 246 E C 1.740 178.330 176.600 -0.017 0.000 0.996 246 E CA 1.447 57.840 56.400 -0.012 0.000 0.832 246 E CB -0.708 28.986 29.700 -0.010 0.000 0.756 246 E HN 0.533 nan 8.360 nan 0.000 0.491 247 D N -0.744 119.642 120.400 -0.022 0.000 2.224 247 D HA -0.006 4.634 4.640 -0.000 0.000 0.205 247 D C 2.088 178.368 176.300 -0.034 0.000 0.965 247 D CA 1.387 55.368 54.000 -0.031 0.000 0.852 247 D CB 0.120 40.898 40.800 -0.038 0.000 0.947 247 D HN 0.494 nan 8.370 nan 0.000 0.494 248 L N -0.105 121.102 121.223 -0.027 0.000 2.209 248 L HA 0.318 4.658 4.340 -0.000 0.000 0.207 248 L C 2.554 179.415 176.870 -0.014 0.000 1.094 248 L CA 1.706 56.533 54.840 -0.022 0.000 0.790 248 L CB -1.645 40.404 42.059 -0.016 0.000 0.932 248 L HN 0.189 nan 8.230 nan 0.000 0.447 249 G N -0.566 108.227 108.800 -0.011 0.000 2.421 249 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.216 249 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.216 249 G C 1.897 176.793 174.900 -0.006 0.000 1.171 249 G CA 1.493 46.590 45.100 -0.006 0.000 0.775 249 G HN 0.924 nan 8.290 nan 0.000 0.543 250 A N 0.919 123.732 122.820 -0.011 0.000 1.968 250 A HA 0.427 4.746 4.320 -0.000 0.000 0.217 250 A C 2.738 180.313 177.584 -0.015 0.000 1.169 250 A CA 1.781 53.812 52.037 -0.010 0.000 0.638 250 A CB -0.565 18.429 19.000 -0.011 0.000 0.812 250 A HN 0.754 nan 8.150 nan 0.000 0.446 251 A N -0.310 122.493 122.820 -0.028 0.000 2.024 251 A HA 0.022 4.342 4.320 -0.000 0.000 0.220 251 A C 1.404 178.981 177.584 -0.011 0.000 1.164 251 A CA 1.449 53.463 52.037 -0.038 0.000 0.643 251 A CB -0.686 18.286 19.000 -0.046 0.000 0.806 251 A HN 0.452 nan 8.150 nan 0.000 0.451 252 V N 0.426 120.338 119.914 -0.002 0.000 3.111 252 V HA 0.176 4.296 4.120 -0.000 0.000 0.381 252 V C 1.749 177.849 176.094 0.010 0.000 1.387 252 V CA 0.572 62.876 62.300 0.007 0.000 1.550 252 V CB -1.009 30.818 31.823 0.008 0.000 1.305 252 V HN 0.550 nan 8.190 nan 0.000 0.494 253 A N 0.829 123.656 122.820 0.012 0.000 2.208 253 A HA 0.078 4.398 4.320 -0.000 0.000 0.209 253 A C 2.398 179.996 177.584 0.023 0.000 1.161 253 A CA 1.020 53.068 52.037 0.018 0.000 0.782 253 A CB -0.303 18.712 19.000 0.025 0.000 0.816 253 A HN 0.601 nan 8.150 nan 0.000 0.477 254 R N -0.280 120.235 120.500 0.024 0.000 2.148 254 R HA 0.303 4.643 4.340 -0.000 0.000 0.223 254 R C 0.858 177.171 176.300 0.020 0.000 1.088 254 R CA 1.434 57.550 56.100 0.026 0.000 0.985 254 R CB -1.218 29.101 30.300 0.031 0.000 0.880 254 R HN 0.326 nan 8.270 nan 0.000 0.451 255 V N -1.272 118.652 119.914 0.017 0.000 2.713 255 V HA 0.596 4.715 4.120 -0.000 0.000 0.307 255 V C 1.820 177.920 176.094 0.011 0.000 1.052 255 V CA -0.246 62.062 62.300 0.013 0.000 0.967 255 V CB 1.367 33.197 31.823 0.012 0.000 1.019 255 V HN 0.557 nan 8.190 nan 0.000 0.459 256 R N 1.885 122.390 120.500 0.009 0.000 2.055 256 R HA 0.469 4.809 4.340 -0.000 0.000 0.228 256 R C 0.953 177.256 176.300 0.006 0.000 1.143 256 R CA 1.344 57.448 56.100 0.007 0.000 0.945 256 R CB -0.812 29.492 30.300 0.005 0.000 0.841 256 R HN 1.361 nan 8.270 nan 0.000 0.429 266 V N 0.494 120.408 119.914 0.001 0.000 3.003 266 V HA 0.674 4.794 4.120 -0.000 0.000 0.305 266 V C 0.301 176.397 176.094 0.003 0.000 1.078 266 V CA 0.196 62.497 62.300 0.001 0.000 1.083 266 V CB 1.491 33.313 31.823 -0.002 0.000 1.039 266 V HN 0.667 nan 8.190 nan 0.000 0.481 267 S N 0.790 116.493 115.700 0.005 0.000 2.572 267 S HA 0.533 5.003 4.470 -0.000 0.000 0.274 267 S C 0.361 174.967 174.600 0.011 0.000 1.150 267 S CA -0.067 58.139 58.200 0.009 0.000 0.944 267 S CB 1.162 64.369 63.200 0.013 0.000 1.071 267 S HN 1.518 nan 8.310 nan 0.000 0.479 268 W N 2.706 124.013 121.300 0.012 0.000 2.491 268 W HA -0.351 4.309 4.660 -0.000 0.000 0.335 268 W C 0.691 177.211 176.519 0.002 0.000 1.693 268 W CA 1.828 59.181 57.345 0.013 0.000 1.699 268 W CB -1.983 27.495 29.460 0.031 0.000 0.914 268 W HN 2.191 nan 8.180 nan 0.000 0.480 269 L N -0.877 120.351 121.223 0.009 0.000 2.768 269 L HA 0.335 4.675 4.340 -0.000 0.000 0.566 269 L C -0.540 176.294 176.870 -0.060 0.000 1.001 269 L CA 0.537 55.370 54.840 -0.011 0.000 1.287 269 L CB -2.077 39.972 42.059 -0.016 0.000 1.674 269 L HN 1.911 nan 8.230 nan 0.000 0.827 270 S N 1.572 117.205 115.700 -0.111 0.000 2.806 270 S HA 1.095 5.565 4.470 -0.000 0.000 0.306 270 S C -0.010 174.287 174.600 -0.506 0.000 1.167 270 S CA -0.425 57.582 58.200 -0.321 0.000 0.847 270 S CB 1.742 64.699 63.200 -0.406 0.000 1.216 270 S HN 1.319 nan 8.310 nan 0.000 0.532 271 R N 0.388 120.406 120.500 -0.804 0.000 2.686 271 R HA 0.869 5.209 4.340 -0.000 0.000 0.283 271 R C -1.696 174.041 176.300 -0.938 0.000 0.978 271 R CA -0.705 55.017 56.100 -0.630 0.000 0.897 271 R CB 0.445 30.568 30.300 -0.295 0.000 1.192 271 R HN 0.580 nan 8.270 nan 0.000 0.457 272 F N 0.357 120.287 119.950 -0.033 0.000 2.591 272 F HA 0.740 5.267 4.527 -0.000 0.000 0.309 272 F C 0.937 176.739 175.800 0.003 0.000 1.098 272 F CA -0.984 56.977 58.000 -0.065 0.000 0.937 272 F CB 3.203 42.093 39.000 -0.184 0.000 1.250 272 F HN 0.859 nan 8.300 nan 0.000 0.447 273 G N -0.054 108.883 108.800 0.228 0.000 2.667 273 G HA2 0.419 4.379 3.960 -0.000 0.000 0.310 273 G HA3 0.419 4.379 3.960 -0.000 0.000 0.310 273 G C -0.874 174.232 174.900 0.343 0.000 1.259 273 G CA -0.617 44.635 45.100 0.253 0.000 1.019 273 G HN 0.667 nan 8.290 nan 0.000 0.496 274 D N -0.962 119.655 120.400 0.362 0.000 2.643 274 D HA 0.320 4.960 4.640 -0.000 0.000 0.244 274 D C 0.890 177.309 176.300 0.198 0.000 1.257 274 D CA -0.266 53.963 54.000 0.383 0.000 0.831 274 D CB 0.208 41.163 40.800 0.258 0.000 1.043 274 D HN 0.464 nan 8.370 nan 0.000 0.488 275 A N 0.199 123.110 122.820 0.152 0.000 2.520 275 A HA 0.350 4.670 4.320 -0.000 0.000 0.245 275 A C 0.367 177.996 177.584 0.076 0.000 1.072 275 A CA -0.133 51.957 52.037 0.089 0.000 0.761 275 A CB 0.277 19.319 19.000 0.071 0.000 1.004 275 A HN 0.169 nan 8.150 nan 0.000 0.499 276 S N 3.275 118.999 115.700 0.039 0.000 2.457 276 S HA 0.326 4.796 4.470 -0.000 0.000 0.216 276 S C 0.051 174.612 174.600 -0.066 0.000 1.392 276 S CA -0.529 57.690 58.200 0.031 0.000 1.102 276 S CB 0.044 63.275 63.200 0.051 0.000 1.114 276 S HN 0.730 nan 8.310 nan 0.000 0.484 277 R N 1.518 121.918 120.500 -0.166 0.000 2.720 277 R HA 0.844 5.184 4.340 -0.000 0.000 0.272 277 R C -0.233 175.778 176.300 -0.481 0.000 0.991 277 R CA -0.773 55.042 56.100 -0.474 0.000 1.010 277 R CB 0.830 30.613 30.300 -0.861 0.000 1.141 277 R HN 0.457 nan 8.270 nan 0.000 0.494 278 Q N 0.461 119.925 119.800 -0.560 0.000 2.364 278 Q HA 0.521 4.861 4.340 -0.000 0.000 0.257 278 Q C -0.855 175.282 176.000 0.228 0.000 0.956 278 Q CA -0.454 55.312 55.803 -0.061 0.000 0.924 278 Q CB 1.598 30.381 28.738 0.075 0.000 1.413 278 Q HN 0.931 nan 8.270 nan 0.000 0.418 279 A N 1.177 124.354 122.820 0.594 0.000 2.603 279 A HA 0.239 4.559 4.320 -0.000 0.000 0.235 279 A C 1.099 178.925 177.584 0.404 0.000 1.035 279 A CA 1.086 53.409 52.037 0.476 0.000 0.755 279 A CB 0.203 19.287 19.000 0.139 0.000 0.954 279 A HN 0.974 nan 8.150 nan 0.000 0.511 280 K N 1.014 121.588 120.400 0.290 0.000 2.365 280 K HA 0.122 4.442 4.320 -0.000 0.000 0.197 280 K C 0.809 177.491 176.600 0.138 0.000 1.042 280 K CA 1.372 57.776 56.287 0.195 0.000 0.987 280 K CB -0.051 32.529 32.500 0.134 0.000 0.779 280 K HN 0.898 nan 8.250 nan 0.000 0.484 281 R N -0.011 120.601 120.500 0.186 0.000 2.522 281 R HA 0.230 4.570 4.340 -0.000 0.000 0.283 281 R C -0.617 175.872 176.300 0.314 0.000 1.074 281 R CA -0.637 55.560 56.100 0.162 0.000 0.925 281 R CB -0.538 29.739 30.300 -0.038 0.000 1.205 281 R HN 0.123 nan 8.270 nan 0.000 0.436 282 Y N 0.634 121.142 120.300 0.348 0.000 2.439 282 Y HA 0.085 4.635 4.550 -0.000 0.000 0.292 282 Y C 1.432 177.474 175.900 0.237 0.000 1.130 282 Y CA 1.717 60.005 58.100 0.313 0.000 1.254 282 Y CB 0.444 39.100 38.460 0.327 0.000 1.000 282 Y HN 0.658 nan 8.280 nan 0.000 0.554 283 R N -0.247 120.416 120.500 0.272 0.000 2.599 283 R HA 0.493 4.833 4.340 -0.000 0.000 0.295 283 R C -1.010 175.326 176.300 0.061 0.000 0.963 283 R CA -0.359 55.831 56.100 0.151 0.000 0.883 283 R CB 1.513 31.890 30.300 0.128 0.000 1.171 283 R HN -0.142 nan 8.270 nan 0.000 0.450 284 S N 2.878 118.610 115.700 0.053 0.000 2.279 284 S HA 0.438 4.908 4.470 -0.000 0.000 0.176 284 S C 0.404 175.020 174.600 0.027 0.000 1.554 284 S CA 0.388 58.603 58.200 0.024 0.000 1.242 284 S CB 0.521 63.729 63.200 0.014 0.000 1.163 284 S HN 1.062 nan 8.310 nan 0.000 0.449 285 G N 4.678 113.495 108.800 0.029 0.000 4.026 285 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.309 285 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.309 285 G C 0.472 175.420 174.900 0.080 0.000 1.411 285 G CA 0.445 45.564 45.100 0.031 0.000 1.037 285 G HN 0.643 nan 8.290 nan 0.000 0.687 286 R N -0.376 120.159 120.500 0.058 0.000 2.590 286 R HA 0.474 4.814 4.340 -0.000 0.000 0.410 286 R C -0.334 176.052 176.300 0.142 0.000 1.010 286 R CA 0.007 56.177 56.100 0.116 0.000 1.155 286 R CB 1.619 31.772 30.300 -0.245 0.000 1.455 286 R HN 0.313 nan 8.270 nan 0.000 0.567 287 V N 1.943 121.911 119.914 0.089 0.000 2.532 287 V HA 0.505 4.625 4.120 -0.000 0.000 0.295 287 V C -0.072 176.068 176.094 0.077 0.000 1.041 287 V CA -0.574 61.767 62.300 0.069 0.000 0.926 287 V CB 2.090 33.928 31.823 0.026 0.000 0.992 287 V HN 0.110 nan 8.190 nan 0.000 0.457 288 L N 4.365 125.622 121.223 0.057 0.000 2.376 288 L HA 0.666 5.006 4.340 -0.000 0.000 0.258 288 L C -1.033 175.869 176.870 0.053 0.000 1.013 288 L CA -0.574 54.306 54.840 0.068 0.000 0.822 288 L CB 2.340 44.390 42.059 -0.016 0.000 1.388 288 L HN 0.379 nan 8.230 nan 0.000 0.413 289 L N 1.213 122.505 121.223 0.116 0.000 2.341 289 L HA 0.976 5.316 4.340 -0.000 0.000 0.267 289 L C -0.477 176.468 176.870 0.124 0.000 1.009 289 L CA -0.579 54.276 54.840 0.024 0.000 0.819 289 L CB 2.049 44.035 42.059 -0.120 0.000 1.323 289 L HN 0.759 nan 8.230 nan 0.000 0.425 290 A N 0.834 123.677 122.820 0.038 0.000 2.606 290 A HA 0.837 5.157 4.320 -0.000 0.000 0.293 290 A C -0.080 177.489 177.584 -0.025 0.000 1.082 290 A CA 0.061 52.172 52.037 0.125 0.000 0.685 290 A CB 1.260 20.361 19.000 0.170 0.000 1.284 290 A HN 1.091 nan 8.150 nan 0.000 0.408 291 G N 0.867 109.662 108.800 -0.007 0.000 2.564 291 G HA2 -0.242 3.717 3.960 -0.000 0.000 0.273 291 G HA3 -0.242 3.717 3.960 -0.000 0.000 0.273 291 G C 0.357 175.021 174.900 -0.394 0.000 1.242 291 G CA 0.987 46.033 45.100 -0.090 0.000 0.951 291 G HN 0.959 nan 8.290 nan 0.000 0.564 292 D N 0.624 120.914 120.400 -0.184 0.000 2.265 292 D HA 0.113 4.752 4.640 -0.000 0.000 0.208 292 D C 2.622 178.829 176.300 -0.156 0.000 0.977 292 D CA 1.913 55.817 54.000 -0.159 0.000 0.871 292 D CB -0.606 40.155 40.800 -0.066 0.000 0.925 292 D HN 0.909 nan 8.370 nan 0.000 0.485 293 A N -0.202 122.515 122.820 -0.171 0.000 2.216 293 A HA 0.191 4.511 4.320 -0.000 0.000 0.214 293 A C 1.980 179.431 177.584 -0.221 0.000 1.160 293 A CA 1.597 53.527 52.037 -0.178 0.000 0.725 293 A CB -0.049 18.863 19.000 -0.147 0.000 0.784 293 A HN 0.233 nan 8.150 nan 0.000 0.472 294 A N -1.104 121.543 122.820 -0.289 0.000 2.141 294 A HA 0.455 4.775 4.320 -0.000 0.000 0.201 294 A C 0.487 178.049 177.584 -0.036 0.000 1.344 294 A CA 0.635 52.480 52.037 -0.321 0.000 0.971 294 A CB 0.147 18.740 19.000 -0.679 0.000 1.035 294 A HN 0.724 nan 8.150 nan 0.000 0.480 295 H N -2.833 116.326 119.070 0.148 0.000 2.865 295 H HA 0.766 5.322 4.556 -0.000 0.000 0.362 295 H C -1.449 173.954 175.328 0.124 0.000 1.114 295 H CA -1.105 55.045 56.048 0.170 0.000 1.208 295 H CB 1.369 31.244 29.762 0.190 0.000 1.727 295 H HN -0.034 nan 8.280 nan 0.000 0.534 296 V N 3.158 123.194 119.914 0.205 0.000 2.577 296 V HA 0.475 4.594 4.120 -0.000 0.000 0.303 296 V C -1.016 175.113 176.094 0.059 0.000 1.042 296 V CA -0.541 61.782 62.300 0.039 0.000 0.872 296 V CB 1.337 33.208 31.823 0.080 0.000 0.998 296 V HN 1.175 nan 8.190 nan 0.000 0.423 297 H N 2.438 121.565 119.070 0.096 0.000 2.990 297 H HA 0.643 5.199 4.556 -0.000 0.000 0.343 297 H C -0.974 174.420 175.328 0.110 0.000 1.270 297 H CA -1.027 55.082 56.048 0.101 0.000 1.118 297 H CB 0.887 30.701 29.762 0.088 0.000 1.861 297 H HN 0.420 nan 8.280 nan 0.000 0.544 298 F N 1.808 121.872 119.950 0.190 0.000 2.553 298 F HA 0.280 4.807 4.527 -0.000 0.000 0.356 298 F C -1.922 173.976 175.800 0.164 0.000 1.142 298 F CA -2.191 55.882 58.000 0.122 0.000 1.322 298 F CB 0.796 39.849 39.000 0.088 0.000 1.126 298 F HN 0.421 nan 8.300 nan 0.000 0.599 299 P HA 0.177 nan 4.420 nan 0.000 0.231 299 P C -0.993 176.320 177.300 0.023 0.000 1.811 299 P CA 0.241 63.204 63.100 -0.228 0.000 1.051 299 P CB -0.052 31.343 31.700 -0.509 0.000 1.951 300 I N 0.287 121.010 120.570 0.255 0.000 2.410 300 I HA 0.590 4.760 4.170 -0.000 0.000 0.286 300 I C 0.950 177.140 176.117 0.122 0.000 1.009 300 I CA -0.015 61.425 61.300 0.234 0.000 1.111 300 I CB 0.847 39.013 38.000 0.277 0.000 1.262 300 I HN 0.425 nan 8.210 nan 0.000 0.443 301 G N 4.510 113.373 108.800 0.106 0.000 2.157 301 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.248 301 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.248 301 G C 0.991 176.021 174.900 0.216 0.000 0.979 301 G CA 0.042 45.218 45.100 0.127 0.000 0.650 301 G HN 2.021 nan 8.290 nan 0.000 0.529 302 G N -0.601 108.300 108.800 0.169 0.000 2.372 302 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.290 302 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.290 302 G C 0.578 175.603 174.900 0.209 0.000 0.965 302 G CA 1.174 46.369 45.100 0.157 0.000 1.263 302 G HN 1.109 nan 8.290 nan 0.000 0.498 303 Q N -0.694 119.205 119.800 0.165 0.000 2.247 303 Q HA 0.273 4.613 4.340 -0.000 0.000 0.211 303 Q C 2.526 178.617 176.000 0.151 0.000 0.861 303 Q CA 0.312 56.185 55.803 0.117 0.000 0.949 303 Q CB 0.629 29.350 28.738 -0.029 0.000 1.115 303 Q HN 0.552 nan 8.270 nan 0.000 0.507 304 G N 1.787 110.747 108.800 0.266 0.000 2.524 304 G HA2 -0.247 3.712 3.960 -0.000 0.000 0.215 304 G HA3 -0.247 3.712 3.960 -0.000 0.000 0.215 304 G C 1.263 176.289 174.900 0.210 0.000 1.239 304 G CA 0.414 45.707 45.100 0.322 0.000 0.798 304 G HN 0.287 nan 8.290 nan 0.000 0.557 305 L N 0.353 121.648 121.223 0.120 0.000 2.093 305 L HA -0.056 4.284 4.340 -0.000 0.000 0.208 305 L C 2.668 179.594 176.870 0.093 0.000 1.085 305 L CA 1.050 55.947 54.840 0.095 0.000 0.755 305 L CB -0.314 41.777 42.059 0.053 0.000 0.904 305 L HN 0.112 nan 8.230 nan 0.000 0.435 306 N N -0.328 118.416 118.700 0.075 0.000 2.018 306 N HA -0.195 4.545 4.740 -0.000 0.000 0.196 306 N C 1.706 177.258 175.510 0.071 0.000 1.043 306 N CA 2.243 55.325 53.050 0.053 0.000 0.856 306 N CB -0.769 37.761 38.487 0.072 0.000 1.042 306 N HN 0.329 nan 8.380 nan 0.000 0.423 307 T N -0.111 114.494 114.554 0.085 0.000 2.788 307 T HA -0.070 4.280 4.350 -0.000 0.000 0.268 307 T C 1.845 176.666 174.700 0.202 0.000 1.044 307 T CA 1.337 63.480 62.100 0.071 0.000 1.139 307 T CB -0.726 68.096 68.868 -0.076 0.000 0.867 307 T HN 0.407 nan 8.240 nan 0.000 0.454 308 G N 1.703 110.663 108.800 0.266 0.000 2.484 308 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.215 308 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.215 308 G C 1.470 176.486 174.900 0.194 0.000 1.219 308 G CA 0.447 45.710 45.100 0.271 0.000 0.791 308 G HN 0.426 nan 8.290 nan 0.000 0.550 309 L N 0.118 121.421 121.223 0.134 0.000 2.021 309 L HA -0.254 4.086 4.340 -0.000 0.000 0.215 309 L C 3.191 180.137 176.870 0.126 0.000 1.074 309 L CA 1.794 56.695 54.840 0.103 0.000 0.760 309 L CB -0.587 41.501 42.059 0.048 0.000 0.889 309 L HN 0.355 nan 8.230 nan 0.000 0.433 310 Q N -0.598 119.279 119.800 0.128 0.000 2.167 310 Q HA -0.201 4.139 4.340 -0.000 0.000 0.202 310 Q C 1.832 177.966 176.000 0.224 0.000 0.970 310 Q CA 1.322 57.220 55.803 0.158 0.000 0.855 310 Q CB -0.078 28.732 28.738 0.120 0.000 0.911 310 Q HN 0.465 nan 8.270 nan 0.000 0.438 311 D N 0.519 121.071 120.400 0.254 0.000 2.104 311 D HA -0.154 4.486 4.640 -0.000 0.000 0.194 311 D C 1.797 178.314 176.300 0.361 0.000 0.994 311 D CA 1.426 55.645 54.000 0.364 0.000 0.830 311 D CB -0.193 40.873 40.800 0.444 0.000 0.959 311 D HN 0.264 nan 8.370 nan 0.000 0.452 312 A N 0.478 123.442 122.820 0.241 0.000 1.865 312 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 312 A C 2.557 180.238 177.584 0.161 0.000 1.191 312 A CA 1.464 53.597 52.037 0.159 0.000 0.623 312 A CB -0.857 18.217 19.000 0.124 0.000 0.826 312 A HN 0.160 nan 8.150 nan 0.000 0.444 313 V N 1.308 121.343 119.914 0.202 0.000 2.490 313 V HA -0.226 3.894 4.120 -0.000 0.000 0.250 313 V C 2.498 178.824 176.094 0.386 0.000 1.061 313 V CA 2.048 64.505 62.300 0.261 0.000 1.064 313 V CB -0.933 31.034 31.823 0.239 0.000 0.670 313 V HN 0.740 nan 8.190 nan 0.000 0.461 314 N N 0.086 118.996 118.700 0.351 0.000 2.244 314 N HA -0.131 4.609 4.740 -0.000 0.000 0.183 314 N C 1.756 177.326 175.510 0.100 0.000 1.016 314 N CA 1.379 54.643 53.050 0.357 0.000 0.866 314 N CB 0.063 38.716 38.487 0.276 0.000 0.980 314 N HN 0.438 nan 8.380 nan 0.000 0.430 315 L N 0.741 121.976 121.223 0.020 0.000 2.145 315 L HA 0.263 4.603 4.340 -0.000 0.000 0.201 315 L C 2.243 178.935 176.870 -0.298 0.000 1.075 315 L CA 1.600 56.232 54.840 -0.347 0.000 0.773 315 L CB -1.250 40.404 42.059 -0.675 0.000 0.936 315 L HN 0.122 nan 8.230 nan 0.000 0.451 316 G N 0.744 109.492 108.800 -0.086 0.000 2.766 316 G HA2 -0.384 3.576 3.960 -0.000 0.000 0.222 316 G HA3 -0.384 3.576 3.960 -0.000 0.000 0.222 316 G C 1.420 176.333 174.900 0.021 0.000 1.225 316 G CA 1.574 46.676 45.100 0.003 0.000 0.784 316 G HN 0.708 nan 8.290 nan 0.000 0.631 317 W N 1.186 122.520 121.300 0.057 0.000 2.374 317 W HA 0.095 4.755 4.660 -0.000 0.000 0.288 317 W C 1.989 178.550 176.519 0.070 0.000 1.218 317 W CA 1.145 58.551 57.345 0.101 0.000 1.245 317 W CB -0.622 28.940 29.460 0.170 0.000 1.126 317 W HN 0.249 nan 8.180 nan 0.000 0.545 318 K N 0.497 120.343 120.400 -0.924 0.000 2.057 318 K HA -0.156 4.164 4.320 -0.000 0.000 0.206 318 K C 2.200 178.494 176.600 -0.511 0.000 1.050 318 K CA 1.484 57.218 56.287 -0.921 0.000 0.935 318 K CB -0.448 31.465 32.500 -0.978 0.000 0.715 318 K HN 0.021 nan 8.250 nan 0.000 0.439 319 L N 1.138 122.094 121.223 -0.445 0.000 2.023 319 L HA -0.028 4.312 4.340 -0.000 0.000 0.205 319 L C 2.227 178.886 176.870 -0.351 0.000 1.073 319 L CA 1.681 56.262 54.840 -0.431 0.000 0.745 319 L CB -0.823 40.995 42.059 -0.402 0.000 0.900 319 L HN 0.118 nan 8.230 nan 0.000 0.435 320 A N -0.418 122.264 122.820 -0.230 0.000 1.958 320 A HA -0.251 4.069 4.320 -0.000 0.000 0.221 320 A C 2.422 179.790 177.584 -0.360 0.000 1.178 320 A CA 2.235 54.169 52.037 -0.172 0.000 0.642 320 A CB -1.187 17.801 19.000 -0.019 0.000 0.816 320 A HN 0.593 nan 8.150 nan 0.000 0.453 321 A N -0.337 122.173 122.820 -0.516 0.000 1.873 321 A HA -0.096 4.224 4.320 -0.000 0.000 0.215 321 A C 2.149 179.230 177.584 -0.837 0.000 1.186 321 A CA 2.068 53.401 52.037 -1.173 0.000 0.616 321 A CB -0.484 17.948 19.000 -0.947 0.000 0.823 321 A HN 0.484 nan 8.150 nan 0.000 0.442 322 R N 0.128 120.326 120.500 -0.503 0.000 2.096 322 R HA -0.134 4.206 4.340 -0.000 0.000 0.240 322 R C 1.796 177.973 176.300 -0.206 0.000 1.139 322 R CA 2.330 58.238 56.100 -0.320 0.000 0.952 322 R CB -1.320 28.771 30.300 -0.348 0.000 0.854 322 R HN 0.261 nan 8.270 nan 0.000 0.436 323 V N 1.019 120.811 119.914 -0.205 0.000 2.261 323 V HA -0.216 3.904 4.120 -0.000 0.000 0.246 323 V C 2.339 178.386 176.094 -0.078 0.000 1.047 323 V CA 2.348 64.609 62.300 -0.065 0.000 1.015 323 V CB -0.470 31.328 31.823 -0.042 0.000 0.642 323 V HN 0.385 nan 8.190 nan 0.000 0.446 324 R N -0.334 120.064 120.500 -0.170 0.000 2.285 324 R HA 0.058 4.398 4.340 -0.000 0.000 0.213 324 R C 1.729 178.041 176.300 0.021 0.000 1.068 324 R CA 0.971 57.034 56.100 -0.062 0.000 1.004 324 R CB -0.107 30.172 30.300 -0.035 0.000 0.873 324 R HN 0.674 nan 8.270 nan 0.000 0.467 325 G N 0.297 109.062 108.800 -0.059 0.000 2.909 325 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.198 325 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.198 325 G C 0.697 175.670 174.900 0.121 0.000 1.124 325 G CA 0.021 45.160 45.100 0.065 0.000 0.796 325 G HN 0.472 nan 8.290 nan 0.000 0.489 326 W N 2.298 123.678 121.300 0.133 0.000 2.436 326 W HA 0.454 5.114 4.660 -0.000 0.000 0.284 326 W C 1.274 177.903 176.519 0.183 0.000 1.225 326 W CA 0.751 58.205 57.345 0.182 0.000 1.271 326 W CB -0.656 28.952 29.460 0.247 0.000 1.114 326 W HN 0.702 nan 8.180 nan 0.000 0.559 327 G N 2.701 111.274 108.800 -0.379 0.000 2.327 327 G HA2 0.267 4.227 3.960 -0.000 0.000 0.278 327 G HA3 0.267 4.227 3.960 -0.000 0.000 0.278 327 G C 0.342 175.200 174.900 -0.071 0.000 1.145 327 G CA 0.174 45.126 45.100 -0.247 0.000 1.097 327 G HN 0.387 nan 8.290 nan 0.000 0.430 328 S N 1.070 116.789 115.700 0.031 0.000 2.617 328 S HA 0.499 4.969 4.470 -0.000 0.000 0.259 328 S C 1.538 176.131 174.600 -0.013 0.000 1.301 328 S CA 0.500 58.720 58.200 0.032 0.000 0.984 328 S CB 1.141 64.382 63.200 0.068 0.000 0.954 328 S HN 0.883 nan 8.310 nan 0.000 0.572 329 E N 0.142 120.339 120.200 -0.004 0.000 2.072 329 E HA -0.115 4.235 4.350 -0.000 0.000 0.190 329 E C 1.900 178.488 176.600 -0.020 0.000 0.982 329 E CA 1.488 57.880 56.400 -0.013 0.000 0.803 329 E CB -1.271 28.429 29.700 -0.001 0.000 0.755 329 E HN 0.918 nan 8.360 nan 0.000 0.453 330 E N -0.409 119.779 120.200 -0.020 0.000 2.097 330 E HA -0.203 4.147 4.350 -0.000 0.000 0.196 330 E C 2.188 178.817 176.600 0.049 0.000 1.000 330 E CA 1.488 57.874 56.400 -0.024 0.000 0.804 330 E CB -0.209 29.428 29.700 -0.105 0.000 0.740 330 E HN 0.430 nan 8.360 nan 0.000 0.454 331 L N 0.642 121.896 121.223 0.051 0.000 2.042 331 L HA -0.164 4.176 4.340 -0.000 0.000 0.210 331 L C 2.317 179.131 176.870 -0.092 0.000 1.076 331 L CA 1.418 56.250 54.840 -0.013 0.000 0.749 331 L CB -0.485 41.548 42.059 -0.043 0.000 0.893 331 L HN 0.268 nan 8.230 nan 0.000 0.432 332 L N -0.569 120.593 121.223 -0.101 0.000 2.141 332 L HA -0.143 4.197 4.340 -0.000 0.000 0.209 332 L C 1.916 178.774 176.870 -0.020 0.000 1.094 332 L CA 1.628 56.394 54.840 -0.124 0.000 0.763 332 L CB -0.880 41.080 42.059 -0.165 0.000 0.908 332 L HN 0.295 nan 8.230 nan 0.000 0.437 333 D N -1.038 119.361 120.400 -0.002 0.000 2.218 333 D HA -0.171 4.469 4.640 -0.000 0.000 0.204 333 D C 2.186 178.517 176.300 0.052 0.000 0.976 333 D CA 1.633 55.648 54.000 0.026 0.000 0.853 333 D CB -0.254 40.545 40.800 -0.001 0.000 0.939 333 D HN 0.534 nan 8.370 nan 0.000 0.481 334 T N -1.882 112.690 114.554 0.029 0.000 2.962 334 T HA -0.209 4.140 4.350 -0.000 0.000 0.270 334 T C 1.995 176.658 174.700 -0.061 0.000 1.088 334 T CA 0.556 62.654 62.100 -0.003 0.000 1.127 334 T CB -0.565 68.284 68.868 -0.032 0.000 0.883 334 T HN 0.171 nan 8.240 nan 0.000 0.493 335 Y N 2.121 122.337 120.300 -0.140 0.000 2.081 335 Y HA -0.247 4.303 4.550 -0.000 0.000 0.280 335 Y C 2.455 178.254 175.900 -0.168 0.000 1.163 335 Y CA 2.015 60.017 58.100 -0.164 0.000 1.135 335 Y CB -1.087 37.301 38.460 -0.120 0.000 0.970 335 Y HN 0.560 nan 8.280 nan 0.000 0.498 336 H N -0.553 118.283 119.070 -0.391 0.000 2.326 336 H HA -0.108 4.448 4.556 -0.000 0.000 0.301 336 H C 1.833 176.924 175.328 -0.395 0.000 1.081 336 H CA 2.008 57.732 56.048 -0.539 0.000 1.334 336 H CB -0.406 29.268 29.762 -0.148 0.000 1.385 336 H HN 0.312 nan 8.280 nan 0.000 0.504 337 D N 0.223 120.609 120.400 -0.023 0.000 2.203 337 D HA -0.173 4.467 4.640 -0.000 0.000 0.199 337 D C 1.816 178.014 176.300 -0.171 0.000 0.997 337 D CA 1.751 55.733 54.000 -0.030 0.000 0.863 337 D CB -0.099 40.719 40.800 0.030 0.000 0.928 337 D HN 0.686 nan 8.370 nan 0.000 0.458 338 E N -0.728 119.300 120.200 -0.286 0.000 2.127 338 E HA 0.071 4.421 4.350 -0.000 0.000 0.191 338 E C 2.046 178.469 176.600 -0.294 0.000 0.964 338 E CA 0.110 56.335 56.400 -0.292 0.000 0.832 338 E CB 0.330 29.642 29.700 -0.646 0.000 0.790 338 E HN 0.001 nan 8.360 nan 0.000 0.465 339 R N 0.114 120.292 120.500 -0.537 0.000 2.200 339 R HA 0.007 4.347 4.340 -0.000 0.000 0.208 339 R C 1.902 177.852 176.300 -0.584 0.000 1.033 339 R CA 0.827 56.603 56.100 -0.539 0.000 1.000 339 R CB -0.643 29.213 30.300 -0.741 0.000 0.906 339 R HN 0.288 nan 8.270 nan 0.000 0.462 340 H N 1.517 120.040 119.070 -0.911 0.000 2.299 340 H HA -0.016 4.540 4.556 -0.000 0.000 0.302 340 H C -0.879 174.292 175.328 -0.262 0.000 1.078 340 H CA 1.650 57.332 56.048 -0.610 0.000 1.323 340 H CB -0.789 28.472 29.762 -0.836 0.000 1.381 340 H HN 0.017 nan 8.280 nan 0.000 0.498 341 P HA -0.171 nan 4.420 nan 0.000 0.217 341 P C 1.598 178.805 177.300 -0.156 0.000 1.148 341 P CA 1.255 64.276 63.100 -0.133 0.000 0.828 341 P CB 0.053 31.712 31.700 -0.068 0.000 0.783 342 V N 0.013 119.829 119.914 -0.162 0.000 2.307 342 V HA -0.213 3.907 4.120 -0.000 0.000 0.245 342 V C 2.457 178.444 176.094 -0.179 0.000 1.045 342 V CA 2.272 64.485 62.300 -0.144 0.000 1.024 342 V CB -1.623 30.134 31.823 -0.110 0.000 0.651 342 V HN 0.100 nan 8.190 nan 0.000 0.449 343 A N -0.491 122.205 122.820 -0.207 0.000 1.930 343 A HA -0.211 4.109 4.320 -0.000 0.000 0.217 343 A C 2.084 179.555 177.584 -0.188 0.000 1.175 343 A CA 1.639 53.534 52.037 -0.237 0.000 0.627 343 A CB -0.466 18.423 19.000 -0.184 0.000 0.815 343 A HN 0.634 nan 8.150 nan 0.000 0.443 344 E N -0.526 119.538 120.200 -0.227 0.000 2.086 344 E HA -0.316 4.034 4.350 -0.000 0.000 0.205 344 E C 2.256 178.786 176.600 -0.118 0.000 1.027 344 E CA 1.768 58.061 56.400 -0.178 0.000 0.830 344 E CB -0.288 29.302 29.700 -0.184 0.000 0.751 344 E HN 0.694 nan 8.360 nan 0.000 0.456 345 R N 1.056 121.483 120.500 -0.122 0.000 2.081 345 R HA -0.141 4.199 4.340 -0.000 0.000 0.235 345 R C 2.288 178.524 176.300 -0.107 0.000 1.131 345 R CA 1.282 57.323 56.100 -0.098 0.000 0.960 345 R CB -0.275 29.962 30.300 -0.105 0.000 0.856 345 R HN 0.013 nan 8.270 nan 0.000 0.436 346 V N 1.764 121.585 119.914 -0.155 0.000 2.255 346 V HA -0.295 3.825 4.120 -0.000 0.000 0.247 346 V C 2.456 178.435 176.094 -0.191 0.000 1.051 346 V CA 2.055 64.228 62.300 -0.211 0.000 1.018 346 V CB -0.507 31.120 31.823 -0.327 0.000 0.641 346 V HN 0.372 nan 8.190 nan 0.000 0.445 347 L N -1.065 120.080 121.223 -0.130 0.000 2.081 347 L HA -0.228 4.112 4.340 -0.000 0.000 0.212 347 L C 2.463 179.322 176.870 -0.019 0.000 1.080 347 L CA 1.318 56.138 54.840 -0.033 0.000 0.754 347 L CB -0.706 41.360 42.059 0.012 0.000 0.893 347 L HN 0.319 nan 8.230 nan 0.000 0.433 348 L N 0.568 121.773 121.223 -0.031 0.000 2.072 348 L HA -0.167 4.173 4.340 -0.000 0.000 0.205 348 L C 2.394 179.270 176.870 0.010 0.000 1.079 348 L CA 1.876 56.712 54.840 -0.007 0.000 0.752 348 L CB -0.997 41.058 42.059 -0.007 0.000 0.906 348 L HN 0.466 nan 8.230 nan 0.000 0.436 349 N N -0.983 117.720 118.700 0.004 0.000 2.166 349 N HA -0.208 4.532 4.740 -0.000 0.000 0.186 349 N C 1.655 177.179 175.510 0.024 0.000 1.019 349 N CA 2.119 55.200 53.050 0.051 0.000 0.856 349 N CB -0.981 37.543 38.487 0.062 0.000 0.993 349 N HN 0.457 nan 8.380 nan 0.000 0.426 350 T N -1.902 112.645 114.554 -0.012 0.000 2.777 350 T HA -0.040 4.310 4.350 -0.000 0.000 0.266 350 T C 1.915 176.607 174.700 -0.014 0.000 1.040 350 T CA 0.908 63.009 62.100 0.002 0.000 1.141 350 T CB -0.367 68.534 68.868 0.054 0.000 0.868 350 T HN 0.192 nan 8.240 nan 0.000 0.444 351 R N 1.264 121.763 120.500 -0.002 0.000 2.092 351 R HA 0.219 4.559 4.340 -0.000 0.000 0.231 351 R C 2.962 179.243 176.300 -0.033 0.000 1.119 351 R CA 1.197 57.286 56.100 -0.019 0.000 0.970 351 R CB -0.571 29.729 30.300 0.001 0.000 0.864 351 R HN 0.537 nan 8.270 nan 0.000 0.440 352 A N 0.692 123.509 122.820 -0.006 0.000 1.929 352 A HA -0.173 4.147 4.320 -0.000 0.000 0.216 352 A C 2.049 179.611 177.584 -0.038 0.000 1.176 352 A CA 0.920 52.962 52.037 0.009 0.000 0.628 352 A CB -0.322 18.723 19.000 0.076 0.000 0.816 352 A HN 0.275 nan 8.150 nan 0.000 0.444 353 Q N -0.786 118.966 119.800 -0.081 0.000 2.096 353 Q HA -0.189 4.151 4.340 -0.000 0.000 0.204 353 Q C 2.351 178.225 176.000 -0.211 0.000 0.982 353 Q CA 2.191 57.861 55.803 -0.221 0.000 0.850 353 Q CB -0.590 27.990 28.738 -0.264 0.000 0.901 353 Q HN 0.638 nan 8.270 nan 0.000 0.422 354 L N -0.317 120.795 121.223 -0.186 0.000 2.083 354 L HA -0.031 4.309 4.340 -0.000 0.000 0.209 354 L C 2.463 179.244 176.870 -0.148 0.000 1.083 354 L CA 2.304 57.012 54.840 -0.220 0.000 0.752 354 L CB -2.200 39.691 42.059 -0.280 0.000 0.899 354 L HN 0.473 nan 8.230 nan 0.000 0.433 355 A N -0.941 121.818 122.820 -0.102 0.000 1.933 355 A HA -0.068 4.252 4.320 -0.000 0.000 0.218 355 A C 2.362 179.912 177.584 -0.057 0.000 1.175 355 A CA 1.627 53.627 52.037 -0.062 0.000 0.628 355 A CB -0.507 18.474 19.000 -0.032 0.000 0.814 355 A HN 0.626 nan 8.150 nan 0.000 0.444 356 L N -1.075 120.099 121.223 -0.082 0.000 2.291 356 L HA 0.020 4.360 4.340 -0.000 0.000 0.214 356 L C 1.208 178.021 176.870 -0.096 0.000 1.120 356 L CA 0.546 55.337 54.840 -0.082 0.000 0.799 356 L CB -0.277 41.705 42.059 -0.128 0.000 0.925 356 L HN 0.419 nan 8.230 nan 0.000 0.446 357 M N 0.797 120.325 119.600 -0.121 0.000 3.652 357 M HA 0.151 4.631 4.480 -0.000 0.000 0.208 357 M C -0.206 176.054 176.300 -0.066 0.000 1.307 357 M CA 0.018 55.254 55.300 -0.107 0.000 1.524 357 M CB -0.175 32.342 32.600 -0.138 0.000 1.067 357 M HN 0.173 nan 8.290 nan 0.000 0.590 358 R N -1.417 119.060 120.500 -0.040 0.000 3.995 358 R HA -0.165 4.175 4.340 -0.000 0.000 0.396 358 R C -2.458 173.831 176.300 -0.018 0.000 0.241 358 R CA 0.317 56.406 56.100 -0.017 0.000 1.272 358 R CB -2.399 27.894 30.300 -0.012 0.000 1.078 358 R HN 0.151 nan 8.270 nan 0.000 0.526 359 P HA 0.199 nan 4.420 nan 0.000 0.220 359 P C -0.928 176.375 177.300 0.005 0.000 1.793 359 P CA 0.090 63.191 63.100 0.002 0.000 0.917 359 P CB -0.034 31.671 31.700 0.008 0.000 1.755 360 D N 0.321 120.726 120.400 0.009 0.000 2.349 360 D HA 0.079 4.719 4.640 -0.000 0.000 0.232 360 D C 0.887 177.183 176.300 -0.006 0.000 1.071 360 D CA -0.318 53.688 54.000 0.010 0.000 0.832 360 D CB 1.060 41.888 40.800 0.046 0.000 1.086 360 D HN -0.129 nan 8.370 nan 0.000 0.504 361 E N 2.572 122.755 120.200 -0.028 0.000 2.435 361 E HA -0.108 4.242 4.350 -0.000 0.000 0.195 361 E C 1.054 177.607 176.600 -0.077 0.000 1.029 361 E CA 0.352 56.729 56.400 -0.038 0.000 0.865 361 E CB 0.383 30.063 29.700 -0.033 0.000 0.833 361 E HN 0.665 nan 8.360 nan 0.000 0.510 362 Q N -0.600 119.110 119.800 -0.151 0.000 2.339 362 Q HA -0.051 4.289 4.340 -0.000 0.000 0.205 362 Q C 1.312 177.038 176.000 -0.456 0.000 0.925 362 Q CA 0.852 56.460 55.803 -0.325 0.000 0.898 362 Q CB 0.426 28.895 28.738 -0.450 0.000 1.013 362 Q HN 0.273 nan 8.270 nan 0.000 0.504 363 H N -2.575 116.508 119.070 0.021 0.000 2.824 363 H HA 0.219 4.775 4.556 -0.000 0.000 0.238 363 H C 1.497 176.848 175.328 0.038 0.000 0.931 363 H CA 0.941 57.007 56.048 0.031 0.000 1.090 363 H CB 0.433 30.207 29.762 0.021 0.000 1.433 363 H HN 0.112 nan 8.280 nan 0.000 0.437 364 T N 0.734 115.367 114.554 0.133 0.000 2.896 364 T HA -0.063 4.286 4.350 -0.000 0.000 0.263 364 T C 1.980 176.715 174.700 0.058 0.000 1.050 364 T CA 1.642 63.793 62.100 0.085 0.000 1.140 364 T CB -0.065 68.835 68.868 0.052 0.000 0.877 364 T HN 0.285 nan 8.240 nan 0.000 0.457 365 T N 2.555 117.130 114.554 0.035 0.000 2.643 365 T HA -0.074 4.276 4.350 -0.000 0.000 0.264 365 T C -0.550 174.168 174.700 0.029 0.000 1.045 365 T CA 1.236 63.347 62.100 0.018 0.000 1.155 365 T CB -1.279 67.588 68.868 -0.002 0.000 0.863 365 T HN 0.300 nan 8.240 nan 0.000 0.420 366 P HA -0.105 nan 4.420 nan 0.000 0.217 366 P C 1.649 179.065 177.300 0.194 0.000 1.158 366 P CA 0.809 63.962 63.100 0.089 0.000 0.887 366 P CB -0.208 31.585 31.700 0.155 0.000 0.792 367 L N -0.457 120.892 121.223 0.209 0.000 2.017 367 L HA -0.124 4.216 4.340 -0.000 0.000 0.208 367 L C 2.368 179.349 176.870 0.185 0.000 1.073 367 L CA 1.830 56.817 54.840 0.245 0.000 0.745 367 L CB -0.850 41.294 42.059 0.142 0.000 0.894 367 L HN -0.208 nan 8.230 nan 0.000 0.432 368 R N -0.500 120.055 120.500 0.091 0.000 2.105 368 R HA -0.123 4.217 4.340 -0.000 0.000 0.239 368 R C 2.210 178.524 176.300 0.023 0.000 1.135 368 R CA 1.098 57.224 56.100 0.044 0.000 0.967 368 R CB -0.999 29.307 30.300 0.010 0.000 0.861 368 R HN 0.608 nan 8.270 nan 0.000 0.442 369 G N 0.917 109.703 108.800 -0.024 0.000 2.480 369 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.216 369 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.216 369 G C 1.077 175.897 174.900 -0.132 0.000 1.200 369 G CA 0.832 45.848 45.100 -0.140 0.000 0.782 369 G HN 0.171 nan 8.290 nan 0.000 0.554 370 F N 0.537 120.494 119.950 0.011 0.000 2.126 370 F HA -0.093 4.434 4.527 -0.000 0.000 0.299 370 F C 2.916 178.724 175.800 0.013 0.000 1.096 370 F CA 0.959 58.966 58.000 0.012 0.000 1.255 370 F CB -0.767 38.241 39.000 0.014 0.000 0.997 370 F HN -0.014 nan 8.300 nan 0.000 0.479 371 V N -0.131 119.899 119.914 0.193 0.000 2.427 371 V HA -0.256 3.864 4.120 -0.000 0.000 0.248 371 V C 2.398 178.525 176.094 0.055 0.000 1.051 371 V CA 2.048 64.414 62.300 0.110 0.000 1.048 371 V CB -0.514 31.356 31.823 0.078 0.000 0.666 371 V HN 0.389 nan 8.190 nan 0.000 0.456 372 E N 0.256 120.477 120.200 0.036 0.000 2.110 372 E HA -0.291 4.059 4.350 -0.000 0.000 0.193 372 E C 2.212 178.822 176.600 0.017 0.000 0.988 372 E CA 1.583 57.991 56.400 0.012 0.000 0.804 372 E CB -0.009 29.690 29.700 -0.002 0.000 0.745 372 E HN 0.752 nan 8.360 nan 0.000 0.458 373 E N 0.307 120.522 120.200 0.026 0.000 2.110 373 E HA -0.171 4.179 4.350 -0.000 0.000 0.193 373 E C 2.244 178.874 176.600 0.050 0.000 0.988 373 E CA 0.920 57.339 56.400 0.033 0.000 0.804 373 E CB -0.019 29.707 29.700 0.044 0.000 0.745 373 E HN 0.323 nan 8.360 nan 0.000 0.458 374 L N 0.387 121.652 121.223 0.071 0.000 2.240 374 L HA -0.075 4.265 4.340 -0.000 0.000 0.211 374 L C 2.218 179.126 176.870 0.063 0.000 1.106 374 L CA 0.324 55.207 54.840 0.071 0.000 0.793 374 L CB -0.124 41.992 42.059 0.096 0.000 0.927 374 L HN 0.215 nan 8.230 nan 0.000 0.446 375 L N -0.353 120.894 121.223 0.040 0.000 2.551 375 L HA -0.022 4.318 4.340 -0.000 0.000 0.228 375 L C 2.411 179.292 176.870 0.018 0.000 1.153 375 L CA 0.592 55.443 54.840 0.018 0.000 0.851 375 L CB -0.600 41.436 42.059 -0.038 0.000 0.959 375 L HN 0.249 nan 8.230 nan 0.000 0.451 376 G N -0.964 107.849 108.800 0.021 0.000 2.430 376 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.216 376 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.216 376 G C 0.784 175.696 174.900 0.019 0.000 1.146 376 G CA 0.050 45.160 45.100 0.017 0.000 0.793 376 G HN 0.236 nan 8.290 nan 0.000 0.537 377 T N 1.861 116.431 114.554 0.025 0.000 2.902 377 T HA 0.127 4.477 4.350 -0.000 0.000 0.301 377 T C 0.809 175.523 174.700 0.023 0.000 1.012 377 T CA -0.069 62.043 62.100 0.021 0.000 1.151 377 T CB 1.271 70.151 68.868 0.020 0.000 0.946 377 T HN 0.015 nan 8.240 nan 0.000 0.542 378 D N 3.105 123.514 120.400 0.016 0.000 2.097 378 D HA -0.046 4.594 4.640 -0.000 0.000 0.195 378 D C 2.488 178.799 176.300 0.018 0.000 0.989 378 D CA 1.654 55.664 54.000 0.017 0.000 0.827 378 D CB -0.357 40.450 40.800 0.012 0.000 0.966 378 D HN 0.817 nan 8.370 nan 0.000 0.456 379 E N 0.658 120.861 120.200 0.005 0.000 2.049 379 E HA -0.191 4.159 4.350 -0.000 0.000 0.198 379 E C 2.355 178.956 176.600 0.001 0.000 1.007 379 E CA 1.694 58.090 56.400 -0.007 0.000 0.809 379 E CB -1.064 28.619 29.700 -0.028 0.000 0.749 379 E HN 0.183 nan 8.360 nan 0.000 0.450 380 V N 1.879 121.795 119.914 0.005 0.000 2.379 380 V HA -0.220 3.900 4.120 -0.000 0.000 0.245 380 V C 2.500 178.683 176.094 0.148 0.000 1.044 380 V CA 1.699 64.017 62.300 0.030 0.000 1.036 380 V CB -0.492 31.370 31.823 0.064 0.000 0.664 380 V HN 0.638 nan 8.190 nan 0.000 0.453 381 N N 0.746 119.512 118.700 0.110 0.000 2.104 381 N HA -0.231 4.509 4.740 -0.000 0.000 0.190 381 N C 2.102 177.660 175.510 0.080 0.000 1.024 381 N CA 1.812 54.920 53.050 0.096 0.000 0.853 381 N CB -0.193 38.321 38.487 0.044 0.000 1.008 381 N HN 0.417 nan 8.380 nan 0.000 0.424 382 R N -0.695 119.840 120.500 0.057 0.000 2.096 382 R HA -0.193 4.147 4.340 -0.000 0.000 0.235 382 R C 2.255 178.560 176.300 0.008 0.000 1.127 382 R CA 1.320 57.440 56.100 0.034 0.000 0.968 382 R CB -0.466 29.846 30.300 0.020 0.000 0.861 382 R HN 0.355 nan 8.270 nan 0.000 0.440 383 Y N 0.221 120.434 120.300 -0.146 0.000 2.049 383 Y HA -0.275 4.275 4.550 -0.000 0.000 0.277 383 Y C 1.717 177.427 175.900 -0.316 0.000 1.143 383 Y CA 2.149 60.081 58.100 -0.281 0.000 1.115 383 Y CB -0.565 37.630 38.460 -0.441 0.000 0.975 383 Y HN -0.016 nan 8.280 nan 0.000 0.487 384 F N 0.001 119.881 119.950 -0.117 0.000 2.216 384 F HA -0.186 4.341 4.527 -0.000 0.000 0.300 384 F C 2.501 178.137 175.800 -0.272 0.000 1.085 384 F CA 1.806 59.606 58.000 -0.332 0.000 1.326 384 F CB -1.161 37.470 39.000 -0.615 0.000 1.027 384 F HN 0.018 nan 8.300 nan 0.000 0.497 385 T N -0.546 114.005 114.554 -0.005 0.000 2.746 385 T HA -0.144 4.206 4.350 -0.000 0.000 0.267 385 T C 2.399 177.057 174.700 -0.069 0.000 1.039 385 T CA 1.483 63.599 62.100 0.027 0.000 1.142 385 T CB -0.992 67.938 68.868 0.104 0.000 0.866 385 T HN 0.442 nan 8.240 nan 0.000 0.444 386 G N 1.168 109.886 108.800 -0.138 0.000 2.421 386 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.216 386 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.216 386 G C 1.566 176.326 174.900 -0.232 0.000 1.171 386 G CA 0.926 45.913 45.100 -0.190 0.000 0.775 386 G HN 0.454 nan 8.290 nan 0.000 0.543 387 M N 0.133 119.552 119.600 -0.303 0.000 2.065 387 M HA -0.082 4.398 4.480 -0.000 0.000 0.259 387 M C 2.366 178.566 176.300 -0.166 0.000 1.069 387 M CA 1.603 56.738 55.300 -0.274 0.000 1.110 387 M CB -0.219 32.179 32.600 -0.336 0.000 1.328 387 M HN 0.116 nan 8.290 nan 0.000 0.405 388 I N 0.708 121.207 120.570 -0.118 0.000 2.113 388 I HA -0.232 3.938 4.170 -0.000 0.000 0.238 388 I C 2.683 178.652 176.117 -0.248 0.000 1.070 388 I CA 2.267 63.489 61.300 -0.130 0.000 1.332 388 I CB -2.073 35.872 38.000 -0.091 0.000 1.044 388 I HN 0.489 nan 8.210 nan 0.000 0.402 389 T N -1.560 112.820 114.554 -0.291 0.000 3.072 389 T HA 0.150 4.500 4.350 -0.000 0.000 0.266 389 T C 1.591 176.166 174.700 -0.209 0.000 1.127 389 T CA 0.975 62.879 62.100 -0.326 0.000 1.107 389 T CB -0.050 68.585 68.868 -0.388 0.000 0.910 389 T HN 0.597 nan 8.240 nan 0.000 0.513 390 G N 0.914 109.599 108.800 -0.191 0.000 2.195 390 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.246 390 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.246 390 G C 1.100 175.882 174.900 -0.197 0.000 0.984 390 G CA 0.758 45.754 45.100 -0.174 0.000 0.633 390 G HN 0.837 nan 8.290 nan 0.000 0.525 391 T N 0.192 114.624 114.554 -0.204 0.000 2.977 391 T HA -0.031 4.318 4.350 -0.000 0.000 0.271 391 T C 1.707 176.310 174.700 -0.162 0.000 1.105 391 T CA 1.851 63.838 62.100 -0.188 0.000 1.116 391 T CB -0.311 68.461 68.868 -0.159 0.000 0.878 391 T HN 0.633 nan 8.240 nan 0.000 0.509 392 D N 2.211 122.508 120.400 -0.173 0.000 2.349 392 D HA -0.016 4.624 4.640 -0.000 0.000 0.224 392 D C 0.865 177.069 176.300 -0.159 0.000 1.029 392 D CA -0.123 53.777 54.000 -0.168 0.000 0.879 392 D CB -0.838 39.837 40.800 -0.209 0.000 0.906 392 D HN 0.504 nan 8.370 nan 0.000 0.528 393 V N -1.293 118.524 119.914 -0.163 0.000 2.508 393 V HA 0.529 4.649 4.120 -0.000 0.000 0.281 393 V C -0.077 175.891 176.094 -0.209 0.000 1.041 393 V CA -0.800 61.383 62.300 -0.196 0.000 1.016 393 V CB 0.357 32.053 31.823 -0.212 0.000 0.984 393 V HN 0.144 nan 8.190 nan 0.000 0.478 394 R N 3.868 124.208 120.500 -0.267 0.000 2.548 394 R HA 0.543 4.883 4.340 -0.000 0.000 0.280 394 R C -1.678 174.483 176.300 -0.232 0.000 1.061 394 R CA -0.656 55.299 56.100 -0.242 0.000 0.915 394 R CB 1.685 31.927 30.300 -0.097 0.000 1.210 394 R HN 0.775 nan 8.270 nan 0.000 0.442 395 Y N 1.360 121.659 120.300 -0.001 0.000 2.316 395 Y HA 0.574 5.124 4.550 -0.000 0.000 0.324 395 Y C 0.519 176.455 175.900 0.060 0.000 1.267 395 Y CA -0.863 57.229 58.100 -0.012 0.000 1.311 395 Y CB 1.850 40.286 38.460 -0.039 0.000 1.267 395 Y HN 0.680 nan 8.280 nan 0.000 0.516 396 A N 1.514 124.483 122.820 0.248 0.000 3.030 396 A HA 0.588 4.908 4.320 -0.000 0.000 0.335 396 A C -0.833 176.877 177.584 0.210 0.000 1.089 396 A CA -0.508 51.645 52.037 0.193 0.000 0.807 396 A CB -0.494 18.580 19.000 0.123 0.000 1.099 396 A HN 0.650 nan 8.150 nan 0.000 0.474 397 T N 0.033 114.757 114.554 0.284 0.000 2.841 397 T HA 0.560 4.910 4.350 -0.000 0.000 0.283 397 T C -0.230 174.748 174.700 0.464 0.000 1.000 397 T CA -0.389 61.901 62.100 0.317 0.000 0.977 397 T CB 0.373 69.354 68.868 0.188 0.000 0.979 397 T HN 0.750 nan 8.240 nan 0.000 0.446 398 F N -0.434 119.506 119.950 -0.017 0.000 3.040 398 F HA -0.144 4.382 4.527 -0.000 0.000 0.298 398 F C 0.884 176.739 175.800 0.092 0.000 0.948 398 F CA -0.367 57.604 58.000 -0.048 0.000 1.022 398 F CB -2.399 36.454 39.000 -0.244 0.000 1.023 398 F HN 0.856 nan 8.300 nan 0.000 0.742 399 A N 0.153 123.113 122.820 0.233 0.000 2.363 399 A HA 0.725 5.045 4.320 -0.000 0.000 0.270 399 A C -1.333 176.327 177.584 0.126 0.000 1.121 399 A CA -1.010 51.139 52.037 0.187 0.000 0.800 399 A CB 0.230 19.317 19.000 0.145 0.000 1.052 399 A HN 0.128 nan 8.150 nan 0.000 0.493 400 P HA 0.517 nan 4.420 nan 0.000 0.276 400 P C 0.219 177.562 177.300 0.071 0.000 1.261 400 P CA -0.251 62.909 63.100 0.100 0.000 0.800 400 P CB 0.660 32.438 31.700 0.130 0.000 1.066 406 P HA 0.383 nan 4.420 nan 0.000 0.274 406 P C -0.490 176.864 177.300 0.090 0.000 1.256 406 P CA -0.639 62.528 63.100 0.111 0.000 0.795 406 P CB 0.359 32.133 31.700 0.124 0.000 1.038 407 H N 0.856 119.921 119.070 -0.008 0.000 2.679 407 H HA 0.060 4.616 4.556 -0.000 0.000 0.369 407 H C -1.528 173.804 175.328 0.007 0.000 1.178 407 H CA -1.269 54.763 56.048 -0.027 0.000 1.419 407 H CB 0.841 30.534 29.762 -0.115 0.000 1.458 407 H HN 0.174 nan 8.280 nan 0.000 0.605 408 P HA -0.077 nan 4.420 nan 0.000 0.231 408 P C 0.363 177.570 177.300 -0.156 0.000 1.158 408 P CA 1.049 64.012 63.100 -0.229 0.000 0.763 408 P CB -0.043 31.463 31.700 -0.323 0.000 0.805 409 W N -1.786 119.586 121.300 0.120 0.000 2.915 409 W HA 0.242 4.902 4.660 -0.000 0.000 0.276 409 W C -1.599 174.957 176.519 0.062 0.000 1.215 409 W CA -0.266 57.137 57.345 0.096 0.000 1.514 409 W CB -1.244 28.278 29.460 0.103 0.000 1.017 409 W HN -0.174 nan 8.180 nan 0.000 0.598 410 P HA 0.008 nan 4.420 nan 0.000 0.257 410 P C 0.865 178.284 177.300 0.200 0.000 1.162 410 P CA 2.648 65.876 63.100 0.213 0.000 0.762 410 P CB 0.102 31.924 31.700 0.203 0.000 0.753 411 G N 2.490 111.441 108.800 0.251 0.000 2.284 411 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.247 411 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.247 411 G C 0.540 175.598 174.900 0.263 0.000 1.012 411 G CA 0.087 45.354 45.100 0.277 0.000 0.618 411 G HN 0.703 nan 8.290 nan 0.000 0.521 412 R N -0.123 120.488 120.500 0.185 0.000 2.738 412 R HA 0.501 4.841 4.340 -0.000 0.000 0.268 412 R C -0.226 176.223 176.300 0.249 0.000 1.062 412 R CA -0.514 55.649 56.100 0.104 0.000 1.158 412 R CB 0.028 30.203 30.300 -0.209 0.000 1.046 412 R HN 0.179 nan 8.270 nan 0.000 0.493 413 F N 2.324 122.246 119.950 -0.046 0.000 2.411 413 F HA 0.414 4.941 4.527 -0.000 0.000 0.350 413 F C 0.105 175.890 175.800 -0.024 0.000 1.114 413 F CA -0.249 57.602 58.000 -0.249 0.000 1.135 413 F CB 1.564 40.285 39.000 -0.466 0.000 1.120 413 F HN 0.621 nan 8.300 nan 0.000 0.495 414 A N 4.025 126.431 122.820 -0.690 0.000 2.469 414 A HA 0.291 4.611 4.320 -0.000 0.000 0.245 414 A C 1.897 179.028 177.584 -0.754 0.000 1.221 414 A CA 0.491 52.247 52.037 -0.469 0.000 0.946 414 A CB -0.744 18.101 19.000 -0.259 0.000 1.049 414 A HN 0.923 nan 8.150 nan 0.000 0.529 415 G N 0.026 107.903 108.800 -1.538 0.000 2.564 415 G HA2 0.116 4.076 3.960 -0.000 0.000 0.216 415 G HA3 0.116 4.076 3.960 -0.000 0.000 0.216 415 G C 1.021 175.666 174.900 -0.426 0.000 1.124 415 G CA 1.119 45.652 45.100 -0.945 0.000 0.764 415 G HN 0.740 nan 8.290 nan 0.000 0.550 416 G N -0.292 108.288 108.800 -0.367 0.000 3.690 416 G HA2 0.471 4.431 3.960 -0.000 0.000 0.283 416 G HA3 0.471 4.431 3.960 -0.000 0.000 0.283 416 G C 0.330 175.186 174.900 -0.075 0.000 1.057 416 G CA -0.520 44.535 45.100 -0.075 0.000 0.821 416 G HN 0.293 nan 8.290 nan 0.000 0.526 417 L N 0.611 121.755 121.223 -0.132 0.000 2.421 417 L HA 0.553 4.893 4.340 -0.000 0.000 0.263 417 L C -0.180 176.637 176.870 -0.088 0.000 1.122 417 L CA -0.802 53.975 54.840 -0.105 0.000 0.804 417 L CB 1.811 43.777 42.059 -0.154 0.000 1.150 417 L HN -0.168 nan 8.230 nan 0.000 0.457 418 V N 2.476 122.345 119.914 -0.074 0.000 2.680 418 V HA 0.501 4.621 4.120 -0.000 0.000 0.309 418 V C 0.064 176.116 176.094 -0.070 0.000 1.052 418 V CA -0.587 61.676 62.300 -0.063 0.000 0.908 418 V CB 2.018 33.813 31.823 -0.045 0.000 1.001 418 V HN 0.534 nan 8.190 nan 0.000 0.431 419 L N 2.150 123.333 121.223 -0.067 0.000 2.341 419 L HA 0.805 5.145 4.340 -0.000 0.000 0.267 419 L C 0.787 177.627 176.870 -0.051 0.000 1.022 419 L CA -0.210 54.589 54.840 -0.067 0.000 0.844 419 L CB 2.171 44.184 42.059 -0.076 0.000 1.436 419 L HN 0.938 nan 8.230 nan 0.000 0.483 420 S N -1.613 114.058 115.700 -0.048 0.000 5.444 420 S HA 0.615 5.085 4.470 -0.000 0.000 0.141 420 S C 0.654 175.232 174.600 -0.036 0.000 1.258 420 S CA 0.704 58.881 58.200 -0.038 0.000 1.126 420 S CB 0.737 63.916 63.200 -0.034 0.000 2.053 420 S HN 0.931 nan 8.310 nan 0.000 0.692 421 R N 1.009 121.489 120.500 -0.034 0.000 3.891 421 R HA -0.103 4.237 4.340 -0.000 0.000 0.187 421 R C -2.517 173.768 176.300 -0.025 0.000 0.508 421 R CA 1.399 57.480 56.100 -0.031 0.000 0.932 421 R CB -3.765 26.515 30.300 -0.034 0.000 0.917 421 R HN 0.753 nan 8.270 nan 0.000 0.590 422 P HA 0.454 nan 4.420 nan 0.000 0.280 422 P C 0.430 177.720 177.300 -0.017 0.000 1.244 422 P CA 1.199 64.287 63.100 -0.019 0.000 0.784 422 P CB 1.752 33.441 31.700 -0.018 0.000 0.913 423 S N 2.635 118.326 115.700 -0.015 0.000 2.298 423 S HA -0.213 4.257 4.470 -0.000 0.000 0.240 423 S C 1.250 175.841 174.600 -0.014 0.000 1.197 423 S CA 2.660 60.852 58.200 -0.013 0.000 1.575 423 S CB -2.092 61.100 63.200 -0.012 0.000 2.016 423 S HN 1.428 nan 8.310 nan 0.000 0.604 424 G N -0.147 108.644 108.800 -0.016 0.000 2.149 424 G HA2 0.134 4.094 3.960 -0.000 0.000 0.235 424 G HA3 0.134 4.094 3.960 -0.000 0.000 0.235 424 G C -0.042 174.848 174.900 -0.017 0.000 1.018 424 G CA 1.206 46.296 45.100 -0.017 0.000 0.728 424 G HN 2.002 nan 8.290 nan 0.000 0.508 425 E N 0.533 120.722 120.200 -0.018 0.000 2.316 425 E HA 0.608 4.958 4.350 -0.000 0.000 0.275 425 E C -2.024 174.564 176.600 -0.021 0.000 1.029 425 E CA -1.266 55.123 56.400 -0.017 0.000 0.871 425 E CB 0.009 29.700 29.700 -0.015 0.000 1.022 425 E HN 0.298 nan 8.360 nan 0.000 0.418 426 P HA 0.236 nan 4.420 nan 0.000 0.271 426 P C -0.883 176.403 177.300 -0.023 0.000 1.233 426 P CA -0.234 62.853 63.100 -0.022 0.000 0.764 426 P CB 0.953 32.642 31.700 -0.019 0.000 0.825 427 V N 7.044 126.940 119.914 -0.031 0.000 2.340 427 V HA 0.253 4.373 4.120 -0.000 0.000 0.277 427 V C -2.266 173.804 176.094 -0.041 0.000 1.017 427 V CA -2.024 60.256 62.300 -0.033 0.000 0.820 427 V CB 1.594 33.395 31.823 -0.037 0.000 1.028 427 V HN 0.424 nan 8.190 nan 0.000 0.436 428 P HA 0.016 nan 4.420 nan 0.000 0.262 428 P C 0.970 178.240 177.300 -0.051 0.000 1.199 428 P CA 0.455 63.535 63.100 -0.033 0.000 0.763 428 P CB 1.222 32.920 31.700 -0.004 0.000 0.790 429 V N 4.239 124.105 119.914 -0.080 0.000 2.720 429 V HA -0.261 3.859 4.120 -0.000 0.000 0.256 429 V C 1.919 177.954 176.094 -0.098 0.000 1.082 429 V CA 2.508 64.743 62.300 -0.108 0.000 1.101 429 V CB -1.171 30.557 31.823 -0.158 0.000 0.693 429 V HN 0.601 nan 8.190 nan 0.000 0.479 430 A N 0.025 122.803 122.820 -0.070 0.000 1.940 430 A HA -0.258 4.062 4.320 -0.000 0.000 0.219 430 A C 2.031 179.598 177.584 -0.028 0.000 1.176 430 A CA 2.067 54.079 52.037 -0.041 0.000 0.631 430 A CB -0.536 18.473 19.000 0.015 0.000 0.814 430 A HN 0.742 nan 8.150 nan 0.000 0.446 431 E N -0.263 119.923 120.200 -0.022 0.000 2.274 431 E HA -0.033 4.317 4.350 -0.000 0.000 0.194 431 E C 1.599 178.183 176.600 -0.027 0.000 0.996 431 E CA 0.741 57.133 56.400 -0.013 0.000 0.840 431 E CB -0.206 29.490 29.700 -0.007 0.000 0.772 431 E HN 0.664 nan 8.360 nan 0.000 0.491 432 L N 0.296 121.489 121.223 -0.049 0.000 2.446 432 L HA 0.020 4.360 4.340 -0.000 0.000 0.219 432 L C 1.986 178.814 176.870 -0.070 0.000 1.116 432 L CA 0.300 55.103 54.840 -0.061 0.000 0.844 432 L CB -0.009 42.002 42.059 -0.080 0.000 0.970 432 L HN 0.116 nan 8.230 nan 0.000 0.457 433 L N -0.726 120.455 121.223 -0.071 0.000 2.558 433 L HA 0.048 4.388 4.340 -0.000 0.000 0.225 433 L C 2.407 179.255 176.870 -0.037 0.000 1.128 433 L CA 0.211 55.006 54.840 -0.076 0.000 0.868 433 L CB -0.190 41.813 42.059 -0.093 0.000 1.006 433 L HN 0.159 nan 8.230 nan 0.000 0.454 434 R N 0.102 120.592 120.500 -0.016 0.000 2.152 434 R HA -0.136 4.203 4.340 -0.000 0.000 0.232 434 R C 2.432 178.747 176.300 0.025 0.000 1.117 434 R CA 1.508 57.616 56.100 0.014 0.000 0.981 434 R CB -0.376 29.937 30.300 0.023 0.000 0.870 434 R HN 0.407 nan 8.270 nan 0.000 0.451 435 S N 0.368 116.070 115.700 0.003 0.000 2.537 435 S HA -0.022 4.448 4.470 -0.000 0.000 0.240 435 S C 1.312 175.924 174.600 0.021 0.000 0.981 435 S CA 0.562 58.767 58.200 0.007 0.000 0.948 435 S CB 0.037 63.225 63.200 -0.019 0.000 0.759 435 S HN 0.422 nan 8.310 nan 0.000 0.531 436 A N 0.050 122.881 122.820 0.018 0.000 2.860 436 A HA -0.204 4.116 4.320 -0.000 0.000 0.267 436 A C 0.375 177.975 177.584 0.028 0.000 1.421 436 A CA 1.133 53.198 52.037 0.046 0.000 0.831 436 A CB -2.242 16.827 19.000 0.114 0.000 1.041 436 A HN 0.711 nan 8.150 nan 0.000 0.623 437 R N -0.822 119.647 120.500 -0.051 0.000 2.637 437 R HA 0.568 4.908 4.340 -0.000 0.000 0.291 437 R C -2.942 173.229 176.300 -0.216 0.000 0.963 437 R CA -2.317 53.714 56.100 -0.115 0.000 0.901 437 R CB 1.114 31.338 30.300 -0.127 0.000 1.160 437 R HN 0.114 nan 8.270 nan 0.000 0.457 438 P HA -0.007 nan 4.420 nan 0.000 0.267 438 P C -0.915 176.174 177.300 -0.352 0.000 1.200 438 P CA 0.036 62.885 63.100 -0.419 0.000 0.772 438 P CB 0.504 31.724 31.700 -0.799 0.000 0.855 439 L N 2.566 123.618 121.223 -0.285 0.000 2.303 439 L HA 0.603 4.943 4.340 -0.000 0.000 0.266 439 L C -0.484 176.260 176.870 -0.210 0.000 1.011 439 L CA -0.501 54.201 54.840 -0.229 0.000 0.818 439 L CB 1.355 43.301 42.059 -0.188 0.000 1.326 439 L HN 0.187 nan 8.230 nan 0.000 0.435 440 L N 2.141 123.258 121.223 -0.175 0.000 2.427 440 L HA 0.528 4.868 4.340 -0.000 0.000 0.264 440 L C -1.350 175.450 176.870 -0.116 0.000 0.989 440 L CA -0.090 54.669 54.840 -0.135 0.000 0.865 440 L CB 0.880 42.856 42.059 -0.138 0.000 1.209 440 L HN 0.357 nan 8.230 nan 0.000 0.430 441 L N 4.004 125.153 121.223 -0.124 0.000 2.281 441 L HA 0.327 4.667 4.340 -0.000 0.000 0.285 441 L C 0.775 177.579 176.870 -0.111 0.000 1.074 441 L CA -0.418 54.344 54.840 -0.130 0.000 0.817 441 L CB 0.772 42.728 42.059 -0.172 0.000 1.168 441 L HN 0.552 nan 8.230 nan 0.000 0.434 442 D N 2.731 123.076 120.400 -0.091 0.000 2.277 442 D HA -0.038 4.602 4.640 -0.000 0.000 0.208 442 D C 1.777 178.026 176.300 -0.085 0.000 0.962 442 D CA 0.557 54.514 54.000 -0.072 0.000 0.865 442 D CB 0.371 41.138 40.800 -0.054 0.000 0.939 442 D HN 0.619 nan 8.370 nan 0.000 0.510 443 L N -1.124 120.037 121.223 -0.103 0.000 3.676 443 L HA -0.416 3.924 4.340 -0.000 0.000 0.053 443 L C 1.686 178.507 176.870 -0.081 0.000 4.206 443 L CA 1.696 56.469 54.840 -0.111 0.000 0.845 443 L CB -2.054 39.913 42.059 -0.153 0.000 3.418 443 L HN 0.158 nan 8.230 nan 0.000 0.773 444 A N -0.357 122.418 122.820 -0.074 0.000 2.529 444 A HA 0.467 4.787 4.320 -0.000 0.000 0.243 444 A C 0.717 178.277 177.584 -0.041 0.000 1.781 444 A CA 0.771 52.778 52.037 -0.051 0.000 0.877 444 A CB -0.647 18.327 19.000 -0.044 0.000 1.601 444 A HN 0.796 nan 8.150 nan 0.000 0.674 445 G N -0.815 107.968 108.800 -0.028 0.000 2.814 445 G HA2 0.533 4.493 3.960 -0.000 0.000 0.300 445 G HA3 0.533 4.493 3.960 -0.000 0.000 0.300 445 G C -0.592 174.300 174.900 -0.013 0.000 1.406 445 G CA -0.388 44.699 45.100 -0.021 0.000 1.041 445 G HN 0.527 nan 8.290 nan 0.000 0.532 446 R N 2.336 122.830 120.500 -0.011 0.000 2.576 446 R HA 0.455 4.795 4.340 -0.000 0.000 0.283 446 R C 0.985 177.286 176.300 0.002 0.000 1.493 446 R CA -0.283 55.818 56.100 0.001 0.000 1.170 446 R CB 1.120 31.427 30.300 0.011 0.000 1.189 446 R HN 0.522 nan 8.270 nan 0.000 0.542 447 A N 2.062 124.883 122.820 0.002 0.000 2.016 447 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 447 A C 1.440 179.027 177.584 0.006 0.000 1.162 447 A CA 1.332 53.369 52.037 0.001 0.000 0.662 447 A CB -0.068 18.932 19.000 -0.000 0.000 0.812 447 A HN 0.798 nan 8.150 nan 0.000 0.450 448 D N 0.946 121.353 120.400 0.012 0.000 2.158 448 D HA -0.212 4.428 4.640 -0.000 0.000 0.197 448 D C 1.701 178.009 176.300 0.014 0.000 0.995 448 D CA 1.358 55.368 54.000 0.016 0.000 0.846 448 D CB -0.734 40.080 40.800 0.023 0.000 0.941 448 D HN 0.486 nan 8.370 nan 0.000 0.456 449 L N -0.373 120.858 121.223 0.013 0.000 2.095 449 L HA 0.029 4.369 4.340 -0.000 0.000 0.204 449 L C 2.915 179.777 176.870 -0.014 0.000 1.080 449 L CA 0.755 55.594 54.840 -0.002 0.000 0.759 449 L CB -0.320 41.752 42.059 0.022 0.000 0.914 449 L HN -0.079 nan 8.230 nan 0.000 0.439 450 R N 0.516 121.011 120.500 -0.009 0.000 2.094 450 R HA -0.209 4.131 4.340 -0.000 0.000 0.239 450 R C 2.538 178.844 176.300 0.011 0.000 1.137 450 R CA 2.026 58.119 56.100 -0.010 0.000 0.943 450 R CB -0.848 29.445 30.300 -0.011 0.000 0.850 450 R HN 0.464 nan 8.270 nan 0.000 0.433 451 E N 1.024 121.233 120.200 0.016 0.000 2.204 451 E HA -0.075 4.274 4.350 -0.000 0.000 0.195 451 E C 1.795 178.425 176.600 0.050 0.000 0.990 451 E CA 1.307 57.723 56.400 0.027 0.000 0.821 451 E CB -0.520 29.191 29.700 0.018 0.000 0.750 451 E HN 0.550 nan 8.360 nan 0.000 0.477 452 A N -0.032 122.817 122.820 0.048 0.000 2.235 452 A HA 0.161 4.481 4.320 -0.000 0.000 0.208 452 A C 2.017 179.701 177.584 0.167 0.000 1.172 452 A CA 1.566 53.650 52.037 0.078 0.000 0.786 452 A CB -0.098 18.920 19.000 0.030 0.000 0.804 452 A HN 0.361 nan 8.150 nan 0.000 0.479 453 T N -1.402 113.240 114.554 0.147 0.000 3.084 453 T HA 0.236 4.586 4.350 -0.000 0.000 0.270 453 T C 2.064 177.004 174.700 0.400 0.000 1.008 453 T CA 0.486 62.711 62.100 0.209 0.000 0.900 453 T CB 0.351 69.175 68.868 -0.073 0.000 1.084 453 T HN 0.572 nan 8.240 nan 0.000 0.538 454 R N 2.178 122.815 120.500 0.229 0.000 2.103 454 R HA -0.026 4.314 4.340 -0.000 0.000 0.242 454 R C -0.705 175.654 176.300 0.098 0.000 1.142 454 R CA 1.349 57.528 56.100 0.132 0.000 0.960 454 R CB -2.645 27.684 30.300 0.048 0.000 0.858 454 R HN 0.364 nan 8.270 nan 0.000 0.439 455 P HA 0.079 nan 4.420 nan 0.000 0.286 455 P C -1.351 175.440 177.300 -0.848 0.000 1.577 455 P CA 0.155 62.945 63.100 -0.517 0.000 0.805 455 P CB -0.630 30.616 31.700 -0.756 0.000 1.706 456 W N -2.795 118.451 121.300 -0.090 0.000 3.074 456 W HA 0.515 5.175 4.660 -0.000 0.000 0.332 456 W C -0.162 176.264 176.519 -0.154 0.000 1.253 456 W CA -0.833 56.429 57.345 -0.138 0.000 1.180 456 W CB -0.036 29.322 29.460 -0.171 0.000 1.445 456 W HN -0.258 nan 8.180 nan 0.000 0.573 457 S N -0.016 115.698 115.700 0.024 0.000 3.880 457 S HA 0.067 4.537 4.470 -0.000 0.000 0.658 457 S C -0.643 173.893 174.600 -0.105 0.000 0.597 457 S CA 0.874 59.037 58.200 -0.062 0.000 1.420 457 S CB -1.599 61.562 63.200 -0.064 0.000 0.821 457 S HN 1.341 nan 8.310 nan 0.000 0.914 458 D N 1.498 121.679 120.400 -0.365 0.000 2.892 458 D HA 0.618 5.258 4.640 -0.000 0.000 0.291 458 D C 0.168 176.242 176.300 -0.377 0.000 1.341 458 D CA 0.570 54.344 54.000 -0.377 0.000 0.844 458 D CB 0.428 40.902 40.800 -0.543 0.000 1.093 458 D HN 1.219 nan 8.370 nan 0.000 0.480 459 R N 0.316 120.623 120.500 -0.322 0.000 2.295 459 R HA 0.807 5.147 4.340 -0.000 0.000 0.324 459 R C 0.196 176.353 176.300 -0.237 0.000 0.968 459 R CA -0.099 55.755 56.100 -0.410 0.000 0.837 459 R CB 0.376 30.289 30.300 -0.645 0.000 1.133 459 R HN 0.927 nan 8.270 nan 0.000 0.450 460 V N -0.335 119.449 119.914 -0.216 0.000 2.617 460 V HA 0.795 4.915 4.120 -0.000 0.000 0.298 460 V C 0.040 176.049 176.094 -0.143 0.000 1.048 460 V CA -0.736 61.478 62.300 -0.143 0.000 0.964 460 V CB 2.222 33.975 31.823 -0.117 0.000 1.004 460 V HN 0.699 nan 8.190 nan 0.000 0.466 461 S N 3.364 119.003 115.700 -0.102 0.000 2.532 461 S HA 0.479 4.949 4.470 -0.000 0.000 0.318 461 S C -0.425 174.128 174.600 -0.078 0.000 1.083 461 S CA -0.376 57.768 58.200 -0.093 0.000 1.131 461 S CB 0.984 64.142 63.200 -0.069 0.000 0.973 461 S HN 1.050 nan 8.310 nan 0.000 0.468 462 V N 4.670 124.531 119.914 -0.088 0.000 2.407 462 V HA 0.790 4.910 4.120 -0.000 0.000 0.278 462 V C -0.039 176.010 176.094 -0.074 0.000 1.037 462 V CA -0.403 61.851 62.300 -0.077 0.000 0.900 462 V CB 0.788 32.561 31.823 -0.083 0.000 0.983 462 V HN 0.738 nan 8.190 nan 0.000 0.459 463 V N 5.793 125.671 119.914 -0.061 0.000 2.439 463 V HA 0.995 5.115 4.120 -0.000 0.000 0.282 463 V C 0.228 176.288 176.094 -0.058 0.000 1.039 463 V CA 0.241 62.507 62.300 -0.057 0.000 0.913 463 V CB 1.060 32.856 31.823 -0.044 0.000 0.983 463 V HN 1.640 nan 8.190 nan 0.000 0.460 464 A N 3.214 125.996 122.820 -0.064 0.000 2.467 464 A HA 0.948 5.268 4.320 -0.000 0.000 0.301 464 A C -0.140 177.405 177.584 -0.066 0.000 1.126 464 A CA -0.152 51.848 52.037 -0.062 0.000 0.632 464 A CB 0.846 19.805 19.000 -0.069 0.000 1.331 464 A HN 2.294 nan 8.150 nan 0.000 0.482 465 G N -0.922 107.840 108.800 -0.063 0.000 2.557 465 G HA2 0.749 4.708 3.960 -0.000 0.000 0.310 465 G HA3 0.749 4.708 3.960 -0.000 0.000 0.310 465 G C -0.764 174.095 174.900 -0.069 0.000 1.328 465 G CA 0.810 45.873 45.100 -0.062 0.000 0.945 465 G HN 1.445 nan 8.290 nan 0.000 0.494 466 E N 0.421 120.572 120.200 -0.082 0.000 2.260 466 E HA 0.668 5.018 4.350 -0.000 0.000 0.266 466 E C 0.448 177.003 176.600 -0.075 0.000 0.887 466 E CA -0.201 56.149 56.400 -0.084 0.000 0.777 466 E CB 1.482 31.112 29.700 -0.118 0.000 1.205 466 E HN 1.294 nan 8.360 nan 0.000 0.414 467 A N 1.371 124.161 122.820 -0.050 0.000 2.167 467 A HA 0.507 4.827 4.320 -0.000 0.000 0.214 467 A C 1.513 179.083 177.584 -0.024 0.000 1.151 467 A CA 1.921 53.938 52.037 -0.034 0.000 0.735 467 A CB -0.083 18.905 19.000 -0.020 0.000 0.802 467 A HN 1.616 nan 8.150 nan 0.000 0.467 468 T N -0.966 113.570 114.554 -0.031 0.000 3.066 468 T HA 0.563 4.913 4.350 -0.000 0.000 0.318 468 T C 0.076 174.758 174.700 -0.030 0.000 0.979 468 T CA 0.059 62.165 62.100 0.010 0.000 1.025 468 T CB 0.212 69.106 68.868 0.043 0.000 1.002 468 T HN 1.636 nan 8.240 nan 0.000 0.453 469 V N 0.580 120.430 119.914 -0.105 0.000 5.998 469 V HA 0.290 4.410 4.120 -0.000 0.000 0.253 469 V C -0.380 175.823 176.094 0.181 0.000 0.630 469 V CA 2.554 64.847 62.300 -0.012 0.000 0.750 469 V CB -1.934 29.834 31.823 -0.092 0.000 0.744 469 V HN 2.341 nan 8.190 nan 0.000 0.481 470 E N 4.588 125.038 120.200 0.416 0.000 2.646 470 E HA 0.700 5.050 4.350 -0.000 0.000 0.336 470 E C -2.140 174.601 176.600 0.235 0.000 1.027 470 E CA -0.589 55.971 56.400 0.266 0.000 0.765 470 E CB 1.041 30.834 29.700 0.156 0.000 1.545 470 E HN 0.815 nan 8.360 nan 0.000 0.382 471 P HA 0.326 nan 4.420 nan 0.000 0.270 471 P C -2.487 175.012 177.300 0.332 0.000 1.223 471 P CA -1.206 62.002 63.100 0.180 0.000 0.785 471 P CB 0.112 31.836 31.700 0.041 0.000 0.923 472 P HA 0.187 nan 4.420 nan 0.000 0.266 472 P C -0.952 176.446 177.300 0.163 0.000 1.186 472 P CA 0.775 63.950 63.100 0.126 0.000 0.767 472 P CB 0.237 31.981 31.700 0.074 0.000 0.820 473 A N 2.593 125.412 122.820 -0.001 0.000 2.540 473 A HA 0.309 4.629 4.320 -0.000 0.000 0.297 473 A C 0.198 177.667 177.584 -0.191 0.000 1.056 473 A CA -0.402 51.555 52.037 -0.133 0.000 0.700 473 A CB 1.217 19.976 19.000 -0.402 0.000 1.280 473 A HN 0.484 nan 8.150 nan 0.000 0.398 474 Q N 0.056 119.743 119.800 -0.188 0.000 2.392 474 Q HA 0.441 4.781 4.340 -0.000 0.000 0.219 474 Q C 0.519 176.430 176.000 -0.148 0.000 0.895 474 Q CA 0.969 56.691 55.803 -0.135 0.000 0.929 474 Q CB 0.860 29.553 28.738 -0.075 0.000 1.077 474 Q HN 0.966 nan 8.270 nan 0.000 0.532 475 A N 0.764 123.459 122.820 -0.208 0.000 2.515 475 A HA 0.696 5.016 4.320 -0.000 0.000 0.298 475 A C -1.574 175.872 177.584 -0.231 0.000 1.059 475 A CA -0.562 51.394 52.037 -0.135 0.000 0.698 475 A CB 1.304 20.348 19.000 0.073 0.000 1.289 475 A HN 0.170 nan 8.150 nan 0.000 0.404 476 L N 2.559 123.685 121.223 -0.162 0.000 2.457 476 L HA 0.314 4.654 4.340 -0.000 0.000 0.266 476 L C -1.059 175.768 176.870 -0.072 0.000 0.979 476 L CA -0.694 54.036 54.840 -0.184 0.000 0.857 476 L CB 1.707 43.577 42.059 -0.314 0.000 1.213 476 L HN 0.676 nan 8.230 nan 0.000 0.418 477 L N 5.200 126.459 121.223 0.059 0.000 2.407 477 L HA 0.277 4.617 4.340 -0.000 0.000 0.282 477 L C -0.351 176.458 176.870 -0.101 0.000 1.110 477 L CA 0.350 55.194 54.840 0.007 0.000 0.863 477 L CB 0.868 42.992 42.059 0.108 0.000 1.207 477 L HN 0.241 nan 8.230 nan 0.000 0.454 478 V N 6.534 126.356 119.914 -0.154 0.000 2.394 478 V HA 0.455 4.575 4.120 -0.000 0.000 0.282 478 V C 0.678 176.631 176.094 -0.236 0.000 1.031 478 V CA -0.771 61.417 62.300 -0.186 0.000 0.881 478 V CB 1.286 32.989 31.823 -0.200 0.000 0.982 478 V HN 0.687 nan 8.190 nan 0.000 0.451 479 R N 5.009 125.348 120.500 -0.269 0.000 2.738 479 R HA 0.185 4.525 4.340 -0.000 0.000 0.268 479 R C -1.586 174.398 176.300 -0.528 0.000 1.062 479 R CA -1.230 54.586 56.100 -0.474 0.000 1.158 479 R CB 0.147 30.162 30.300 -0.475 0.000 1.046 479 R HN 0.414 nan 8.270 nan 0.000 0.493 480 P HA -0.179 nan 4.420 nan 0.000 0.220 480 P C -0.081 177.009 177.300 -0.351 0.000 1.144 480 P CA 1.336 64.093 63.100 -0.570 0.000 0.800 480 P CB 0.097 31.395 31.700 -0.669 0.000 0.772 481 D N -3.175 117.030 120.400 -0.325 0.000 2.340 481 D HA 0.174 4.814 4.640 -0.000 0.000 0.217 481 D C 1.451 177.909 176.300 0.262 0.000 1.081 481 D CA 0.382 54.462 54.000 0.134 0.000 0.842 481 D CB -0.576 40.507 40.800 0.471 0.000 0.934 481 D HN 0.196 nan 8.370 nan 0.000 0.511 482 G N -0.657 108.175 108.800 0.054 0.000 2.258 482 G HA2 -0.272 3.687 3.960 -0.000 0.000 0.233 482 G HA3 -0.272 3.687 3.960 -0.000 0.000 0.233 482 G C -0.174 174.607 174.900 -0.199 0.000 1.006 482 G CA -0.204 44.828 45.100 -0.112 0.000 0.620 482 G HN 0.344 nan 8.290 nan 0.000 0.511 483 Y N 0.880 121.287 120.300 0.179 0.000 2.309 483 Y HA 0.502 5.052 4.550 -0.000 0.000 0.327 483 Y C 1.104 177.025 175.900 0.036 0.000 1.172 483 Y CA -0.581 57.641 58.100 0.203 0.000 1.280 483 Y CB 1.403 40.092 38.460 0.381 0.000 1.234 483 Y HN 0.082 nan 8.280 nan 0.000 0.512 484 V N 3.522 123.555 119.914 0.198 0.000 2.555 484 V HA 0.170 4.290 4.120 -0.000 0.000 0.286 484 V C 0.718 176.816 176.094 0.006 0.000 1.044 484 V CA 0.418 62.762 62.300 0.074 0.000 1.026 484 V CB 0.741 32.667 31.823 0.171 0.000 0.981 484 V HN 1.075 nan 8.190 nan 0.000 0.480 485 A N 4.274 126.958 122.820 -0.226 0.000 1.924 485 A HA 0.213 4.533 4.320 -0.000 0.000 0.211 485 A C 0.424 177.978 177.584 -0.050 0.000 1.198 485 A CA 0.304 51.983 52.037 -0.597 0.000 0.657 485 A CB 0.114 18.149 19.000 -1.608 0.000 0.852 485 A HN 0.842 nan 8.150 nan 0.000 0.454 486 W N -1.600 119.597 121.300 -0.172 0.000 3.127 486 W HA 0.607 5.267 4.660 -0.000 0.000 0.330 486 W C -0.944 175.549 176.519 -0.043 0.000 1.187 486 W CA -0.224 57.120 57.345 -0.003 0.000 1.198 486 W CB 1.417 30.887 29.460 0.016 0.000 1.408 486 W HN 0.286 nan 8.180 nan 0.000 0.529 487 A N 2.523 124.743 122.820 -1.000 0.000 2.454 487 A HA 0.866 5.186 4.320 -0.000 0.000 0.302 487 A C -0.742 175.678 177.584 -1.941 0.000 1.079 487 A CA -0.568 50.800 52.037 -1.116 0.000 0.731 487 A CB 1.435 20.085 19.000 -0.584 0.000 1.299 487 A HN 1.188 nan 8.150 nan 0.000 0.413 488 G N 0.146 108.112 108.800 -1.390 0.000 2.487 488 G HA2 0.684 4.644 3.960 -0.000 0.000 0.314 488 G HA3 0.684 4.644 3.960 -0.000 0.000 0.314 488 G C -0.084 174.507 174.900 -0.515 0.000 1.267 488 G CA 0.508 45.050 45.100 -0.929 0.000 0.937 488 G HN 1.289 nan 8.290 nan 0.000 0.481 489 S N 2.863 118.390 115.700 -0.288 0.000 2.654 489 S HA 0.729 5.199 4.470 -0.000 0.000 0.283 489 S C -0.864 173.741 174.600 0.007 0.000 1.180 489 S CA -1.784 56.406 58.200 -0.017 0.000 1.021 489 S CB 1.169 64.463 63.200 0.157 0.000 1.018 489 S HN 0.222 nan 8.310 nan 0.000 0.532 490 P HA -0.152 nan 4.420 nan 0.000 0.220 490 P C 1.067 178.396 177.300 0.047 0.000 1.142 490 P CA 1.845 64.964 63.100 0.031 0.000 0.801 490 P CB 0.138 31.854 31.700 0.028 0.000 0.764 491 A N -1.018 121.837 122.820 0.059 0.000 2.132 491 A HA 0.363 4.683 4.320 -0.000 0.000 0.213 491 A C 1.278 178.920 177.584 0.096 0.000 1.154 491 A CA 0.361 52.440 52.037 0.069 0.000 0.753 491 A CB -0.745 18.296 19.000 0.068 0.000 0.826 491 A HN 0.206 nan 8.150 nan 0.000 0.469 492 A N 1.637 124.527 122.820 0.117 0.000 2.515 492 A HA 0.451 4.771 4.320 -0.000 0.000 0.263 492 A C 0.934 178.633 177.584 0.191 0.000 1.096 492 A CA 0.544 52.705 52.037 0.206 0.000 0.769 492 A CB -0.794 18.376 19.000 0.283 0.000 1.040 492 A HN 0.687 nan 8.150 nan 0.000 0.505 493 T N -0.141 114.510 114.554 0.162 0.000 2.816 493 T HA 0.529 4.879 4.350 -0.000 0.000 0.282 493 T C 1.398 176.148 174.700 0.084 0.000 0.993 493 T CA -0.093 62.071 62.100 0.106 0.000 0.994 493 T CB 1.263 70.180 68.868 0.080 0.000 1.025 493 T HN 1.069 nan 8.240 nan 0.000 0.529 494 A N 0.818 123.665 122.820 0.045 0.000 1.933 494 A HA -0.062 4.258 4.320 -0.000 0.000 0.218 494 A C 1.961 179.536 177.584 -0.014 0.000 1.175 494 A CA 1.762 53.802 52.037 0.005 0.000 0.628 494 A CB -1.150 17.859 19.000 0.014 0.000 0.814 494 A HN 0.896 nan 8.150 nan 0.000 0.444 495 D N -0.148 120.262 120.400 0.017 0.000 2.149 495 D HA -0.133 4.507 4.640 -0.000 0.000 0.198 495 D C 1.934 178.239 176.300 0.008 0.000 0.990 495 D CA 1.493 55.504 54.000 0.020 0.000 0.839 495 D CB -0.342 40.480 40.800 0.036 0.000 0.948 495 D HN 0.668 nan 8.370 nan 0.000 0.460 496 E N -0.155 120.062 120.200 0.028 0.000 2.051 496 E HA -0.164 4.186 4.350 -0.000 0.000 0.192 496 E C 2.026 178.533 176.600 -0.155 0.000 0.991 496 E CA 0.488 56.915 56.400 0.045 0.000 0.799 496 E CB -0.140 29.683 29.700 0.205 0.000 0.748 496 E HN 0.140 nan 8.360 nan 0.000 0.449 497 L N 1.519 122.523 121.223 -0.365 0.000 2.131 497 L HA -0.147 4.193 4.340 -0.000 0.000 0.210 497 L C 2.047 178.675 176.870 -0.402 0.000 1.092 497 L CA 1.563 55.923 54.840 -0.800 0.000 0.759 497 L CB -0.230 41.328 42.059 -0.837 0.000 0.903 497 L HN -0.036 nan 8.230 nan 0.000 0.435 498 R N 0.187 120.585 120.500 -0.170 0.000 2.094 498 R HA -0.167 4.173 4.340 -0.000 0.000 0.239 498 R C 2.191 178.504 176.300 0.022 0.000 1.137 498 R CA 1.686 57.778 56.100 -0.013 0.000 0.943 498 R CB -1.351 28.973 30.300 0.039 0.000 0.850 498 R HN 0.539 nan 8.270 nan 0.000 0.433 499 A N 0.396 123.217 122.820 0.003 0.000 1.933 499 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 499 A C 2.365 179.979 177.584 0.051 0.000 1.175 499 A CA 1.831 53.895 52.037 0.045 0.000 0.628 499 A CB -0.539 18.488 19.000 0.045 0.000 0.814 499 A HN 0.343 nan 8.150 nan 0.000 0.444 500 S N -0.761 114.918 115.700 -0.036 0.000 2.402 500 S HA -0.052 4.418 4.470 -0.000 0.000 0.229 500 S C 1.850 176.530 174.600 0.132 0.000 1.021 500 S CA 1.262 59.492 58.200 0.049 0.000 0.974 500 S CB -0.443 62.603 63.200 -0.257 0.000 0.800 500 S HN 0.500 nan 8.310 nan 0.000 0.484 501 L N 0.835 122.044 121.223 -0.023 0.000 2.044 501 L HA 0.049 4.389 4.340 -0.000 0.000 0.205 501 L C 2.889 179.864 176.870 0.175 0.000 1.075 501 L CA 1.139 55.958 54.840 -0.034 0.000 0.747 501 L CB -0.665 41.092 42.059 -0.503 0.000 0.903 501 L HN 0.340 nan 8.230 nan 0.000 0.435 502 A N -0.187 122.791 122.820 0.262 0.000 2.024 502 A HA -0.243 4.077 4.320 -0.000 0.000 0.220 502 A C 2.430 180.160 177.584 0.244 0.000 1.164 502 A CA 1.807 54.048 52.037 0.341 0.000 0.643 502 A CB -0.542 18.615 19.000 0.261 0.000 0.806 502 A HN 0.359 nan 8.150 nan 0.000 0.451 503 R N -2.212 118.397 120.500 0.180 0.000 2.090 503 R HA -0.059 4.281 4.340 -0.000 0.000 0.219 503 R C 1.878 178.260 176.300 0.137 0.000 1.100 503 R CA 0.933 57.109 56.100 0.127 0.000 0.991 503 R CB -0.215 30.130 30.300 0.076 0.000 0.893 503 R HN 0.655 nan 8.270 nan 0.000 0.443 504 W N -0.568 120.713 121.300 -0.032 0.000 2.453 504 W HA -0.002 4.658 4.660 -0.000 0.000 0.289 504 W C 0.601 176.780 176.519 -0.568 0.000 1.215 504 W CA 0.585 57.634 57.345 -0.493 0.000 1.297 504 W CB 0.249 29.075 29.460 -1.057 0.000 1.113 504 W HN 0.013 nan 8.180 nan 0.000 0.551 505 F N -0.155 120.079 119.950 0.473 0.000 2.815 505 F HA 0.521 5.048 4.527 -0.000 0.000 0.323 505 F C 1.000 177.119 175.800 0.532 0.000 1.151 505 F CA -0.195 58.111 58.000 0.511 0.000 1.191 505 F CB -0.134 39.016 39.000 0.251 0.000 1.069 505 F HN -0.074 nan 8.300 nan 0.000 0.514 506 G N 1.253 110.373 108.800 0.534 0.000 2.877 506 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.279 506 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.279 506 G C -2.778 172.400 174.900 0.463 0.000 1.431 506 G CA -1.452 43.912 45.100 0.439 0.000 0.883 506 G HN 0.052 nan 8.290 nan 0.000 0.547 507 P HA 0.222 nan 4.420 nan 0.000 0.267 507 P C -1.782 175.492 177.300 -0.043 0.000 1.201 507 P CA -0.340 62.847 63.100 0.145 0.000 0.775 507 P CB -0.004 31.744 31.700 0.082 0.000 0.854 508 P HA 0.182 nan 4.420 nan 0.000 0.286 508 P C -1.580 175.437 177.300 -0.473 0.000 1.293 508 P CA -0.497 62.081 63.100 -0.869 0.000 0.770 508 P CB 0.591 31.844 31.700 -0.745 0.000 1.206 509 A N 0.000 122.522 122.820 -0.496 0.000 2.254 509 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 509 A CA 0.000 51.874 52.037 -0.272 0.000 0.836 509 A CB 0.000 18.851 19.000 -0.248 0.000 0.831 509 A HN 0.000 nan 8.150 nan 0.000 0.486