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 2vtb_1_C DATA FIRST_RESID 3 DATA SEQUENCE HIHRVPALTE EEIDSVAIKT FERYALPSSS SVKRKGKGVT ILWFRNDLRV DATA SEQUENCE LDNDALYKAW SSSDTILPVY CLDPRLFHTT HFFNFPKTGA LRGGFLMECL DATA SEQUENCE VDLRKNLMKR GLNLLIRSGK PEEILPSLAK DFGARTVFAH KETCSEEVDV DATA SEQUENCE ERLVNQGLKR VGNSTKLELI WGSTMYHKDD LPFDVFDLPD VYTQFRKSVE DATA SEQUENCE AKCSIRSSTR IPLSLGPTPS VDDWGDVPTL EKLGVEPQEV TRGMRFVGGE DATA SEQUENCE SAGVGRVFEY FWKKDLLKVY KETRNGMLGP DYSTKFSPWL AFGCISPRFI DATA SEQUENCE YEEVQRYEKE RVANNSTYWV LFELIWRDYF RFLSIKCGNS LFHLGGPRNV DATA SEQUENCE QGKWSQDQKL FESWRDAKTG YPLIDANMKE LSTTGFMSNR GRQIVCSFLV DATA SEQUENCE RDMGLDWRMG AEWFETCLLD YDPCSNYGNW TYGAGVGNDP REDRYFSIPK DATA SEQUENCE QAQNYDPEGE YVAFWLQQLR RLPKEKRHWP GRLMYMDTVV PLKHG 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 3 H HA 0.000 nan 4.556 nan 0.000 0.296 3 H C 0.000 175.141 175.328 -0.312 0.000 0.993 3 H CA 0.000 55.965 56.048 -0.138 0.000 1.023 3 H CB 0.000 29.701 29.762 -0.102 0.000 1.292 4 I N 2.205 122.225 120.570 -0.918 0.000 2.378 4 I HA 0.297 4.467 4.170 -0.000 0.000 0.291 4 I C -0.711 175.100 176.117 -0.510 0.000 0.992 4 I CA -0.458 60.446 61.300 -0.661 0.000 1.154 4 I CB 1.346 38.999 38.000 -0.579 0.000 1.315 4 I HN 0.458 nan 8.210 nan 0.000 0.448 5 H N 5.289 124.320 119.070 -0.065 0.000 2.551 5 H HA 0.404 4.960 4.556 -0.000 0.000 0.321 5 H C -0.560 174.719 175.328 -0.082 0.000 1.028 5 H CA -0.851 55.164 56.048 -0.055 0.000 1.215 5 H CB 0.958 30.683 29.762 -0.063 0.000 1.414 5 H HN 0.365 nan 8.280 nan 0.000 0.480 6 R N 2.318 122.846 120.500 0.047 0.000 2.489 6 R HA 0.191 4.531 4.340 -0.000 0.000 0.287 6 R C -0.709 175.581 176.300 -0.017 0.000 1.053 6 R CA -0.206 55.902 56.100 0.015 0.000 1.036 6 R CB 0.704 31.028 30.300 0.039 0.000 0.966 6 R HN 0.310 nan 8.270 nan 0.000 0.432 7 V N 6.165 126.034 119.914 -0.075 0.000 2.376 7 V HA 0.258 4.378 4.120 -0.000 0.000 0.287 7 V C -1.800 174.441 176.094 0.245 0.000 1.015 7 V CA -2.044 60.213 62.300 -0.070 0.000 0.834 7 V CB 1.489 32.998 31.823 -0.524 0.000 1.001 7 V HN 0.719 nan 8.190 nan 0.000 0.428 8 P HA 0.206 nan 4.420 nan 0.000 0.274 8 P C 0.353 177.688 177.300 0.059 0.000 1.246 8 P CA -0.295 62.848 63.100 0.072 0.000 0.795 8 P CB 1.422 33.141 31.700 0.033 0.000 1.006 9 A N 1.551 124.400 122.820 0.049 0.000 2.238 9 A HA 0.116 4.436 4.320 -0.000 0.000 0.208 9 A C 1.241 178.859 177.584 0.057 0.000 1.177 9 A CA 0.072 52.140 52.037 0.051 0.000 0.804 9 A CB -0.912 18.115 19.000 0.045 0.000 0.823 9 A HN 0.452 nan 8.150 nan 0.000 0.482 10 L N 1.531 122.792 121.223 0.064 0.000 2.483 10 L HA 0.112 4.452 4.340 -0.000 0.000 0.276 10 L C 1.253 178.145 176.870 0.038 0.000 1.213 10 L CA -0.162 54.715 54.840 0.063 0.000 0.843 10 L CB 0.205 42.306 42.059 0.070 0.000 1.107 10 L HN 0.417 nan 8.230 nan 0.000 0.487 11 T N -1.753 112.818 114.554 0.029 0.000 2.856 11 T HA 0.042 4.392 4.350 -0.000 0.000 0.306 11 T C 0.937 175.635 174.700 -0.003 0.000 1.062 11 T CA -0.615 61.493 62.100 0.014 0.000 1.083 11 T CB 0.839 69.712 68.868 0.009 0.000 0.984 11 T HN 0.648 nan 8.240 nan 0.000 0.542 12 E N 0.593 120.789 120.200 -0.007 0.000 2.160 12 E HA -0.185 4.165 4.350 -0.000 0.000 0.195 12 E C 1.989 178.566 176.600 -0.038 0.000 0.991 12 E CA 1.366 57.753 56.400 -0.022 0.000 0.810 12 E CB -0.032 29.657 29.700 -0.018 0.000 0.742 12 E HN 0.722 nan 8.360 nan 0.000 0.466 13 E N 0.774 120.954 120.200 -0.034 0.000 2.072 13 E HA -0.150 4.200 4.350 -0.000 0.000 0.191 13 E C 1.791 178.352 176.600 -0.065 0.000 0.985 13 E CA 0.912 57.285 56.400 -0.046 0.000 0.801 13 E CB -0.005 29.675 29.700 -0.033 0.000 0.750 13 E HN 0.254 nan 8.360 nan 0.000 0.452 14 E N 0.130 120.299 120.200 -0.052 0.000 2.077 14 E HA -0.175 4.175 4.350 -0.000 0.000 0.193 14 E C 2.099 178.627 176.600 -0.121 0.000 0.989 14 E CA 0.884 57.240 56.400 -0.072 0.000 0.800 14 E CB -0.149 29.543 29.700 -0.013 0.000 0.746 14 E HN 0.251 nan 8.360 nan 0.000 0.452 15 I N 1.479 121.994 120.570 -0.091 0.000 2.127 15 I HA -0.297 3.873 4.170 -0.000 0.000 0.241 15 I C 1.997 178.012 176.117 -0.171 0.000 1.075 15 I CA 1.190 62.419 61.300 -0.119 0.000 1.334 15 I CB -0.234 37.719 38.000 -0.078 0.000 1.040 15 I HN 0.047 nan 8.210 nan 0.000 0.405 16 D N 0.483 120.799 120.400 -0.139 0.000 2.149 16 D HA -0.139 4.501 4.640 -0.000 0.000 0.198 16 D C 2.388 178.569 176.300 -0.199 0.000 0.990 16 D CA 1.830 55.738 54.000 -0.153 0.000 0.839 16 D CB -0.151 40.588 40.800 -0.102 0.000 0.948 16 D HN 0.379 nan 8.370 nan 0.000 0.460 17 S N -0.058 115.528 115.700 -0.189 0.000 2.371 17 S HA -0.084 4.386 4.470 -0.000 0.000 0.224 17 S C 2.328 176.752 174.600 -0.293 0.000 1.029 17 S CA 0.594 58.669 58.200 -0.208 0.000 0.978 17 S CB -0.664 62.434 63.200 -0.170 0.000 0.833 17 S HN 0.071 nan 8.310 nan 0.000 0.466 18 V N 2.790 122.491 119.914 -0.355 0.000 2.343 18 V HA -0.169 3.951 4.120 -0.000 0.000 0.247 18 V C 3.085 178.904 176.094 -0.457 0.000 1.051 18 V CA 1.725 63.752 62.300 -0.455 0.000 1.036 18 V CB -1.508 30.003 31.823 -0.521 0.000 0.654 18 V HN 0.635 nan 8.190 nan 0.000 0.451 19 A N -0.088 122.426 122.820 -0.511 0.000 1.883 19 A HA -0.211 4.109 4.320 -0.000 0.000 0.217 19 A C 2.194 179.098 177.584 -1.134 0.000 1.186 19 A CA 2.120 53.609 52.037 -0.913 0.000 0.624 19 A CB -0.581 17.988 19.000 -0.717 0.000 0.822 19 A HN 0.502 nan 8.150 nan 0.000 0.444 20 I N -0.485 119.737 120.570 -0.579 0.000 2.163 20 I HA -0.293 3.877 4.170 -0.000 0.000 0.243 20 I C 2.514 178.480 176.117 -0.252 0.000 1.085 20 I CA 1.646 62.749 61.300 -0.329 0.000 1.347 20 I CB -0.284 37.608 38.000 -0.180 0.000 1.044 20 I HN 0.298 nan 8.210 nan 0.000 0.408 21 K N 0.128 120.373 120.400 -0.258 0.000 2.057 21 K HA -0.126 4.194 4.320 -0.000 0.000 0.207 21 K C 2.119 178.645 176.600 -0.123 0.000 1.049 21 K CA 1.852 58.033 56.287 -0.177 0.000 0.931 21 K CB -0.415 31.964 32.500 -0.201 0.000 0.714 21 K HN 0.360 nan 8.250 nan 0.000 0.440 22 T N 1.410 115.854 114.554 -0.182 0.000 2.674 22 T HA -0.106 4.244 4.350 -0.000 0.000 0.265 22 T C 1.797 176.631 174.700 0.224 0.000 1.039 22 T CA 1.390 63.501 62.100 0.019 0.000 1.150 22 T CB -0.454 68.369 68.868 -0.074 0.000 0.864 22 T HN 0.202 nan 8.240 nan 0.000 0.427 23 F N 1.448 121.404 119.950 0.010 0.000 2.171 23 F HA -0.090 4.437 4.527 -0.000 0.000 0.300 23 F C 2.720 178.537 175.800 0.028 0.000 1.090 23 F CA 0.631 58.635 58.000 0.007 0.000 1.293 23 F CB -0.403 38.563 39.000 -0.057 0.000 1.013 23 F HN 0.226 nan 8.300 nan 0.000 0.486 24 E N 0.499 120.793 120.200 0.156 0.000 2.058 24 E HA -0.268 4.082 4.350 -0.000 0.000 0.194 24 E C 2.171 178.793 176.600 0.037 0.000 0.997 24 E CA 1.099 57.538 56.400 0.064 0.000 0.801 24 E CB -0.276 29.424 29.700 0.000 0.000 0.746 24 E HN 0.298 nan 8.360 nan 0.000 0.450 25 R N -0.347 120.165 120.500 0.020 0.000 2.193 25 R HA -0.147 4.193 4.340 -0.000 0.000 0.229 25 R C 0.948 177.106 176.300 -0.236 0.000 1.110 25 R CA 1.213 57.247 56.100 -0.110 0.000 0.988 25 R CB 0.081 30.296 30.300 -0.142 0.000 0.871 25 R HN 0.226 nan 8.270 nan 0.000 0.458 26 Y N -0.893 119.444 120.300 0.062 0.000 2.481 26 Y HA 0.412 4.962 4.550 -0.000 0.000 0.247 26 Y C 0.553 176.462 175.900 0.016 0.000 1.151 26 Y CA -0.180 57.952 58.100 0.053 0.000 1.238 26 Y CB 0.614 39.118 38.460 0.073 0.000 1.179 26 Y HN 0.053 nan 8.280 nan 0.000 0.524 27 A N 1.096 123.988 122.820 0.120 0.000 2.498 27 A HA 0.157 4.477 4.320 -0.000 0.000 0.239 27 A C -0.002 177.595 177.584 0.021 0.000 1.068 27 A CA -0.286 51.779 52.037 0.048 0.000 0.766 27 A CB 0.071 19.088 19.000 0.028 0.000 1.003 27 A HN 0.366 nan 8.150 nan 0.000 0.497 28 L N 4.594 125.812 121.223 -0.010 0.000 2.385 28 L HA 0.225 4.565 4.340 -0.000 0.000 0.281 28 L C -1.711 175.158 176.870 -0.002 0.000 1.106 28 L CA -1.742 53.097 54.840 -0.002 0.000 0.856 28 L CB 1.101 43.152 42.059 -0.014 0.000 1.186 28 L HN 0.497 nan 8.230 nan 0.000 0.453 29 P HA 0.011 nan 4.420 nan 0.000 0.263 29 P C 0.107 177.424 177.300 0.028 0.000 1.345 29 P CA 0.551 63.659 63.100 0.013 0.000 1.119 29 P CB 0.604 32.312 31.700 0.012 0.000 1.363 30 S N 3.179 118.894 115.700 0.025 0.000 3.795 30 S HA -0.142 4.328 4.470 -0.000 0.000 0.682 30 S C 0.127 174.784 174.600 0.096 0.000 1.792 30 S CA 0.545 58.776 58.200 0.051 0.000 1.892 30 S CB -1.216 62.015 63.200 0.052 0.000 0.343 30 S HN 0.708 nan 8.310 nan 0.000 1.341 31 S N 1.072 116.863 115.700 0.151 0.000 2.217 31 S HA 0.563 5.033 4.470 -0.000 0.000 0.168 31 S C 1.041 175.740 174.600 0.165 0.000 1.526 31 S CA 0.382 58.732 58.200 0.251 0.000 1.150 31 S CB 0.753 64.234 63.200 0.468 0.000 1.158 31 S HN 1.427 nan 8.310 nan 0.000 0.473 32 S N 2.618 118.392 115.700 0.123 0.000 2.345 32 S HA -0.162 4.308 4.470 -0.000 0.000 0.219 32 S C 2.080 176.725 174.600 0.075 0.000 1.031 32 S CA 1.125 59.375 58.200 0.083 0.000 0.984 32 S CB -1.162 62.078 63.200 0.066 0.000 0.874 32 S HN 0.849 nan 8.310 nan 0.000 0.451 33 S N 1.705 117.459 115.700 0.091 0.000 2.335 33 S HA 0.057 4.527 4.470 -0.000 0.000 0.216 33 S C 1.028 175.659 174.600 0.052 0.000 1.032 33 S CA 0.604 58.847 58.200 0.073 0.000 1.000 33 S CB -1.277 61.977 63.200 0.090 0.000 0.928 33 S HN 0.512 nan 8.310 nan 0.000 0.434 34 V N 5.060 125.013 119.914 0.066 0.000 2.521 34 V HA 0.298 4.418 4.120 -0.000 0.000 0.286 34 V C 0.126 176.156 176.094 -0.106 0.000 1.034 34 V CA -0.688 61.594 62.300 -0.030 0.000 1.045 34 V CB 0.302 32.079 31.823 -0.076 0.000 0.974 34 V HN 0.618 nan 8.190 nan 0.000 0.480 35 K N 6.636 126.962 120.400 -0.122 0.000 2.095 35 K HA 0.544 4.864 4.320 -0.000 0.000 0.252 35 K C -0.134 176.330 176.600 -0.227 0.000 0.977 35 K CA -0.639 55.567 56.287 -0.136 0.000 0.900 35 K CB 1.831 34.284 32.500 -0.078 0.000 1.060 35 K HN 0.698 nan 8.250 nan 0.000 0.449 36 R N -0.054 120.318 120.500 -0.215 0.000 2.492 36 R HA 0.102 4.442 4.340 -0.000 0.000 0.219 36 R C 0.168 176.378 176.300 -0.150 0.000 0.886 36 R CA -0.364 55.580 56.100 -0.259 0.000 1.003 36 R CB 0.448 30.538 30.300 -0.349 0.000 1.345 36 R HN 0.583 nan 8.270 nan 0.000 0.631 37 K N 1.236 121.576 120.400 -0.100 0.000 2.530 37 K HA -0.074 4.246 4.320 -0.000 0.000 0.280 37 K C 0.607 177.176 176.600 -0.051 0.000 1.004 37 K CA 1.463 57.715 56.287 -0.060 0.000 1.071 37 K CB 0.240 32.716 32.500 -0.040 0.000 0.876 37 K HN 0.396 nan 8.250 nan 0.000 0.487 38 G N 3.496 112.274 108.800 -0.036 0.000 2.184 38 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.264 38 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.264 38 G C 0.563 175.447 174.900 -0.027 0.000 0.975 38 G CA 0.647 45.732 45.100 -0.025 0.000 0.642 38 G HN 0.747 nan 8.290 nan 0.000 0.536 39 K N 0.541 120.915 120.400 -0.042 0.000 2.444 39 K HA 0.410 4.730 4.320 -0.000 0.000 0.193 39 K C 1.604 178.195 176.600 -0.015 0.000 1.024 39 K CA 0.531 56.795 56.287 -0.039 0.000 1.077 39 K CB 0.216 32.671 32.500 -0.075 0.000 0.833 39 K HN 1.434 nan 8.250 nan 0.000 0.517 40 G N 0.919 109.714 108.800 -0.008 0.000 2.725 40 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.220 40 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.220 40 G C -0.493 174.423 174.900 0.027 0.000 1.357 40 G CA -0.744 44.365 45.100 0.015 0.000 0.866 40 G HN -0.022 nan 8.290 nan 0.000 0.548 41 V N 0.352 120.294 119.914 0.048 0.000 2.567 41 V HA 0.722 4.841 4.120 -0.000 0.000 0.289 41 V C 0.928 177.066 176.094 0.074 0.000 1.049 41 V CA 0.622 62.959 62.300 0.062 0.000 0.969 41 V CB 1.426 33.300 31.823 0.085 0.000 0.995 41 V HN 1.233 nan 8.190 nan 0.000 0.471 42 T N 4.691 119.299 114.554 0.089 0.000 2.906 42 T HA 0.705 5.055 4.350 -0.000 0.000 0.295 42 T C -0.950 173.826 174.700 0.127 0.000 1.075 42 T CA -0.452 61.730 62.100 0.137 0.000 1.005 42 T CB 1.202 70.214 68.868 0.239 0.000 1.136 42 T HN 0.416 nan 8.240 nan 0.000 0.498 43 I N 3.556 124.211 120.570 0.143 0.000 2.404 43 I HA 0.476 4.646 4.170 -0.000 0.000 0.293 43 I C -0.934 175.305 176.117 0.204 0.000 0.992 43 I CA -1.029 60.351 61.300 0.133 0.000 1.149 43 I CB 1.855 39.907 38.000 0.087 0.000 1.315 43 I HN 0.371 nan 8.210 nan 0.000 0.446 44 L N 7.411 128.748 121.223 0.189 0.000 2.276 44 L HA 0.397 4.737 4.340 -0.000 0.000 0.286 44 L C -1.222 175.762 176.870 0.189 0.000 1.024 44 L CA -0.197 54.725 54.840 0.136 0.000 0.826 44 L CB 0.801 42.865 42.059 0.007 0.000 1.211 44 L HN 0.576 nan 8.230 nan 0.000 0.422 45 W N 7.142 128.431 121.300 -0.018 0.000 2.311 45 W HA 0.417 5.077 4.660 -0.000 0.000 0.317 45 W C -1.327 175.203 176.519 0.019 0.000 1.065 45 W CA -1.556 55.816 57.345 0.044 0.000 1.364 45 W CB 0.205 29.686 29.460 0.035 0.000 1.233 45 W HN 0.354 nan 8.180 nan 0.000 0.409 46 F N 6.465 126.563 119.950 0.246 0.000 2.399 46 F HA 0.408 4.935 4.527 -0.000 0.000 0.342 46 F C 1.270 177.077 175.800 0.011 0.000 1.106 46 F CA 0.107 58.191 58.000 0.140 0.000 1.196 46 F CB 1.066 40.250 39.000 0.307 0.000 1.163 46 F HN 0.385 nan 8.300 nan 0.000 0.547 47 R N 0.790 121.376 120.500 0.142 0.000 2.588 47 R HA 0.248 4.588 4.340 -0.000 0.000 0.115 47 R C -0.167 176.271 176.300 0.229 0.000 1.578 47 R CA -0.608 55.542 56.100 0.084 0.000 1.329 47 R CB 0.049 30.182 30.300 -0.279 0.000 1.152 47 R HN 0.333 nan 8.270 nan 0.000 0.437 48 N N 2.259 120.997 118.700 0.063 0.000 2.671 48 N HA 0.078 4.818 4.740 -0.000 0.000 0.303 48 N C -1.296 174.235 175.510 0.034 0.000 1.351 48 N CA 0.267 53.346 53.050 0.049 0.000 0.991 48 N CB 0.834 39.258 38.487 -0.105 0.000 1.307 48 N HN 0.374 nan 8.380 nan 0.000 0.512 49 D N -0.562 119.925 120.400 0.145 0.000 2.997 49 D HA 0.053 4.693 4.640 -0.000 0.000 0.362 49 D C -0.037 176.455 176.300 0.321 0.000 1.298 49 D CA -0.285 53.794 54.000 0.131 0.000 0.756 49 D CB -0.609 40.231 40.800 0.067 0.000 1.216 49 D HN 0.071 nan 8.370 nan 0.000 0.496 50 L N 1.678 123.041 121.223 0.234 0.000 2.437 50 L HA 0.331 4.671 4.340 -0.000 0.000 0.243 50 L C 0.514 177.404 176.870 0.034 0.000 1.346 50 L CA -0.068 54.834 54.840 0.103 0.000 1.233 50 L CB -0.627 41.444 42.059 0.019 0.000 1.436 50 L HN 0.195 nan 8.230 nan 0.000 0.416 51 R N -0.847 119.713 120.500 0.099 0.000 2.716 51 R HA 0.513 4.853 4.340 -0.000 0.000 0.271 51 R C -0.702 175.617 176.300 0.031 0.000 1.028 51 R CA -0.973 55.130 56.100 0.004 0.000 0.883 51 R CB 1.470 31.755 30.300 -0.024 0.000 1.250 51 R HN -0.144 nan 8.270 nan 0.000 0.465 52 V N 0.745 120.576 119.914 -0.138 0.000 2.672 52 V HA 0.153 4.273 4.120 -0.000 0.000 0.242 52 V C 1.224 177.186 176.094 -0.221 0.000 1.059 52 V CA 0.297 62.489 62.300 -0.179 0.000 1.081 52 V CB -0.121 31.495 31.823 -0.346 0.000 0.752 52 V HN 0.508 nan 8.190 nan 0.000 0.472 53 L N 1.636 122.662 121.223 -0.329 0.000 2.485 53 L HA 0.052 4.392 4.340 -0.000 0.000 0.275 53 L C 0.801 177.558 176.870 -0.189 0.000 1.207 53 L CA 0.565 55.223 54.840 -0.303 0.000 0.855 53 L CB -0.231 41.574 42.059 -0.423 0.000 1.114 53 L HN 0.428 nan 8.230 nan 0.000 0.485 54 D N 2.092 122.408 120.400 -0.139 0.000 2.697 54 D HA -0.245 4.395 4.640 -0.000 0.000 0.235 54 D C -0.388 175.914 176.300 0.004 0.000 1.167 54 D CA 0.611 54.576 54.000 -0.058 0.000 0.656 54 D CB -0.680 40.081 40.800 -0.065 0.000 1.025 54 D HN 0.507 nan 8.370 nan 0.000 0.419 55 N N 0.960 119.679 118.700 0.030 0.000 2.626 55 N HA 0.163 4.903 4.740 -0.000 0.000 0.249 55 N C 0.214 175.794 175.510 0.116 0.000 1.021 55 N CA -0.536 52.579 53.050 0.108 0.000 0.886 55 N CB 1.121 39.665 38.487 0.094 0.000 1.149 55 N HN -0.040 nan 8.380 nan 0.000 0.517 56 D N 2.120 122.612 120.400 0.153 0.000 2.219 56 D HA -0.049 4.591 4.640 -0.000 0.000 0.205 56 D C 1.587 177.883 176.300 -0.008 0.000 0.970 56 D CA 0.818 54.883 54.000 0.108 0.000 0.851 56 D CB 0.221 41.112 40.800 0.152 0.000 0.943 56 D HN 0.666 nan 8.370 nan 0.000 0.488 57 A N 0.829 123.530 122.820 -0.198 0.000 1.877 57 A HA -0.141 4.179 4.320 -0.000 0.000 0.216 57 A C 2.132 179.577 177.584 -0.232 0.000 1.186 57 A CA 0.993 52.842 52.037 -0.315 0.000 0.620 57 A CB -0.748 17.910 19.000 -0.568 0.000 0.822 57 A HN 0.255 nan 8.150 nan 0.000 0.443 58 L N -1.577 119.564 121.223 -0.137 0.000 2.042 58 L HA -0.164 4.176 4.340 -0.000 0.000 0.210 58 L C 2.282 179.137 176.870 -0.024 0.000 1.076 58 L CA 2.436 57.229 54.840 -0.079 0.000 0.749 58 L CB -1.002 41.050 42.059 -0.012 0.000 0.893 58 L HN 0.518 nan 8.230 nan 0.000 0.432 59 Y N 0.339 120.598 120.300 -0.069 0.000 2.145 59 Y HA -0.254 4.296 4.550 -0.000 0.000 0.286 59 Y C 2.484 178.385 175.900 0.001 0.000 1.145 59 Y CA 2.159 60.271 58.100 0.020 0.000 1.148 59 Y CB -0.092 38.380 38.460 0.019 0.000 0.981 59 Y HN 0.177 nan 8.280 nan 0.000 0.507 60 K N -0.204 120.156 120.400 -0.066 0.000 2.097 60 K HA -0.141 4.179 4.320 -0.000 0.000 0.206 60 K C 2.296 178.430 176.600 -0.776 0.000 1.049 60 K CA 1.032 57.109 56.287 -0.349 0.000 0.933 60 K CB -0.319 31.957 32.500 -0.374 0.000 0.717 60 K HN 0.405 nan 8.250 nan 0.000 0.442 61 A N 0.666 122.977 122.820 -0.848 0.000 1.873 61 A HA -0.187 4.133 4.320 -0.000 0.000 0.215 61 A C 1.939 179.395 177.584 -0.212 0.000 1.186 61 A CA 1.252 52.919 52.037 -0.618 0.000 0.616 61 A CB -0.871 17.971 19.000 -0.263 0.000 0.823 61 A HN 0.597 nan 8.150 nan 0.000 0.442 62 W N 1.881 122.983 121.300 -0.329 0.000 2.354 62 W HA -0.245 4.415 4.660 -0.000 0.000 0.315 62 W C 2.637 178.977 176.519 -0.299 0.000 1.206 62 W CA 2.825 60.007 57.345 -0.271 0.000 1.290 62 W CB -0.402 28.884 29.460 -0.289 0.000 1.152 62 W HN 0.397 nan 8.180 nan 0.000 0.489 63 S N -0.450 114.961 115.700 -0.483 0.000 2.447 63 S HA -0.137 4.333 4.470 -0.000 0.000 0.233 63 S C 1.564 175.914 174.600 -0.416 0.000 1.006 63 S CA 1.159 58.965 58.200 -0.657 0.000 0.957 63 S CB -1.044 61.875 63.200 -0.469 0.000 0.773 63 S HN 0.293 nan 8.310 nan 0.000 0.507 64 S N 0.789 116.323 115.700 -0.277 0.000 2.575 64 S HA 0.469 4.939 4.470 -0.000 0.000 0.237 64 S C 0.352 174.904 174.600 -0.079 0.000 0.975 64 S CA -0.116 58.013 58.200 -0.117 0.000 0.960 64 S CB -0.262 62.958 63.200 0.033 0.000 0.822 64 S HN 0.714 nan 8.310 nan 0.000 0.472 65 S N 0.679 116.278 115.700 -0.169 0.000 2.685 65 S HA 0.596 5.066 4.470 -0.000 0.000 0.282 65 S C -0.526 173.973 174.600 -0.169 0.000 1.159 65 S CA -0.215 57.922 58.200 -0.105 0.000 0.833 65 S CB 1.345 64.525 63.200 -0.033 0.000 1.151 65 S HN 0.195 nan 8.310 nan 0.000 0.485 66 D N -0.919 119.426 120.400 -0.092 0.000 2.449 66 D HA 0.247 4.887 4.640 -0.000 0.000 0.210 66 D C -0.050 176.236 176.300 -0.023 0.000 1.094 66 D CA 0.164 54.114 54.000 -0.083 0.000 0.846 66 D CB 0.321 41.089 40.800 -0.054 0.000 1.003 66 D HN 0.509 nan 8.370 nan 0.000 0.504 67 T N 0.385 114.941 114.554 0.004 0.000 3.032 67 T HA 0.524 4.874 4.350 -0.000 0.000 0.312 67 T C -0.660 174.073 174.700 0.056 0.000 1.078 67 T CA -0.567 61.559 62.100 0.042 0.000 1.028 67 T CB 1.853 70.750 68.868 0.049 0.000 1.091 67 T HN 0.010 nan 8.240 nan 0.000 0.457 68 I N 2.952 123.571 120.570 0.082 0.000 2.433 68 I HA 0.483 4.653 4.170 -0.000 0.000 0.292 68 I C -0.981 175.197 176.117 0.102 0.000 1.001 68 I CA -1.089 60.270 61.300 0.098 0.000 1.119 68 I CB 1.985 40.062 38.000 0.127 0.000 1.289 68 I HN 0.342 nan 8.210 nan 0.000 0.438 69 L N 9.486 130.755 121.223 0.076 0.000 2.313 69 L HA 0.581 4.921 4.340 -0.000 0.000 0.273 69 L C -2.591 174.379 176.870 0.167 0.000 1.028 69 L CA -1.868 53.012 54.840 0.067 0.000 0.871 69 L CB 0.585 42.550 42.059 -0.157 0.000 1.242 69 L HN 0.229 nan 8.230 nan 0.000 0.434 70 P HA 0.337 nan 4.420 nan 0.000 0.280 70 P C -1.258 176.292 177.300 0.415 0.000 1.244 70 P CA -0.177 63.155 63.100 0.387 0.000 0.784 70 P CB 1.453 33.432 31.700 0.466 0.000 0.913 71 V N 3.952 124.149 119.914 0.472 0.000 2.760 71 V HA 0.368 4.488 4.120 -0.000 0.000 0.309 71 V C -1.218 175.211 176.094 0.558 0.000 1.077 71 V CA -0.658 61.887 62.300 0.409 0.000 0.910 71 V CB 1.998 33.974 31.823 0.254 0.000 1.008 71 V HN 0.417 nan 8.190 nan 0.000 0.424 72 Y N 3.447 123.948 120.300 0.335 0.000 2.341 72 Y HA 0.619 5.168 4.550 -0.000 0.000 0.338 72 Y C -0.239 175.821 175.900 0.266 0.000 0.965 72 Y CA -0.616 57.686 58.100 0.336 0.000 1.108 72 Y CB 1.536 40.129 38.460 0.223 0.000 1.180 72 Y HN 0.695 nan 8.280 nan 0.000 0.458 73 C N 7.486 126.614 119.300 -0.287 0.000 2.255 73 C HA 0.348 4.808 4.460 -0.000 0.000 0.326 73 C C -0.134 174.664 174.990 -0.320 0.000 1.258 73 C CA -1.060 57.849 59.018 -0.182 0.000 1.676 73 C CB -0.292 27.396 27.740 -0.088 0.000 2.314 73 C HN 0.743 nan 8.230 nan 0.000 0.509 74 L N 4.531 125.773 121.223 0.031 0.000 2.454 74 L HA 0.207 4.547 4.340 -0.000 0.000 0.284 74 L C 0.334 177.294 176.870 0.149 0.000 1.139 74 L CA 0.687 55.654 54.840 0.212 0.000 0.911 74 L CB -0.447 41.784 42.059 0.288 0.000 1.262 74 L HN 0.618 nan 8.230 nan 0.000 0.453 75 D N 6.845 127.322 120.400 0.128 0.000 2.371 75 D HA 0.096 4.736 4.640 -0.000 0.000 0.256 75 D C -1.551 174.814 176.300 0.108 0.000 1.193 75 D CA -1.716 52.334 54.000 0.083 0.000 0.881 75 D CB 1.627 42.462 40.800 0.058 0.000 1.143 75 D HN 0.344 nan 8.370 nan 0.000 0.473 76 P HA -0.116 nan 4.420 nan 0.000 0.220 76 P C 1.041 178.110 177.300 -0.385 0.000 1.148 76 P CA 0.787 63.869 63.100 -0.029 0.000 0.803 76 P CB 0.363 32.061 31.700 -0.003 0.000 0.782 77 R N -0.859 119.437 120.500 -0.340 0.000 2.148 77 R HA -0.030 4.310 4.340 -0.000 0.000 0.227 77 R C 2.173 178.310 176.300 -0.273 0.000 1.103 77 R CA 0.469 56.317 56.100 -0.420 0.000 0.983 77 R CB -0.898 29.338 30.300 -0.106 0.000 0.874 77 R HN 0.130 nan 8.270 nan 0.000 0.451 78 L N -0.386 120.720 121.223 -0.194 0.000 2.362 78 L HA -0.050 4.290 4.340 -0.000 0.000 0.219 78 L C 0.465 176.981 176.870 -0.591 0.000 1.134 78 L CA 1.602 56.242 54.840 -0.335 0.000 0.807 78 L CB 0.084 41.935 42.059 -0.348 0.000 0.927 78 L HN 0.042 nan 8.230 nan 0.000 0.447 79 F N -2.559 117.338 119.950 -0.089 0.000 2.791 79 F HA 0.257 4.784 4.527 -0.000 0.000 0.308 79 F C 1.328 177.168 175.800 0.067 0.000 1.138 79 F CA -0.477 57.521 58.000 -0.003 0.000 1.294 79 F CB -0.281 38.731 39.000 0.021 0.000 0.975 79 F HN 0.096 nan 8.300 nan 0.000 0.512 80 H N -0.693 118.445 119.070 0.113 0.000 3.483 80 H HA 0.456 5.012 4.556 -0.000 0.000 0.110 80 H C 0.664 176.019 175.328 0.044 0.000 1.563 80 H CA 0.088 56.177 56.048 0.069 0.000 1.592 80 H CB 0.221 29.999 29.762 0.026 0.000 0.828 80 H HN 0.029 nan 8.280 nan 0.000 0.727 81 T N -0.711 113.937 114.554 0.157 0.000 2.916 81 T HA 0.306 4.656 4.350 -0.000 0.000 0.292 81 T C 0.069 174.775 174.700 0.010 0.000 1.064 81 T CA -0.875 61.267 62.100 0.069 0.000 1.011 81 T CB 1.608 70.487 68.868 0.018 0.000 1.152 81 T HN 0.630 nan 8.240 nan 0.000 0.510 82 T N -1.112 113.451 114.554 0.015 0.000 2.748 82 T HA 0.182 4.532 4.350 -0.000 0.000 0.304 82 T C 1.081 175.711 174.700 -0.117 0.000 1.041 82 T CA 0.140 62.237 62.100 -0.005 0.000 1.033 82 T CB 0.375 69.305 68.868 0.104 0.000 0.995 82 T HN 0.845 nan 8.240 nan 0.000 0.536 83 H N 0.280 119.196 119.070 -0.256 0.000 2.256 83 H HA 0.038 4.594 4.556 -0.000 0.000 0.299 83 H C 1.369 176.305 175.328 -0.655 0.000 1.071 83 H CA 2.126 57.870 56.048 -0.507 0.000 1.280 83 H CB -0.198 29.142 29.762 -0.703 0.000 1.370 83 H HN 0.610 nan 8.280 nan 0.000 0.490 84 F N -1.864 117.889 119.950 -0.329 0.000 2.446 84 F HA 0.141 4.668 4.527 -0.000 0.000 0.292 84 F C 0.953 176.128 175.800 -1.042 0.000 1.096 84 F CA 0.217 57.750 58.000 -0.778 0.000 1.438 84 F CB 0.336 38.636 39.000 -1.168 0.000 1.107 84 F HN 0.114 nan 8.300 nan 0.000 0.546 85 F N -0.531 119.251 119.950 -0.279 0.000 2.688 85 F HA 0.255 4.782 4.527 -0.000 0.000 0.310 85 F C 0.097 175.429 175.800 -0.779 0.000 1.098 85 F CA -0.871 56.773 58.000 -0.594 0.000 1.228 85 F CB -1.152 37.331 39.000 -0.862 0.000 1.042 85 F HN -0.144 nan 8.300 nan 0.000 0.557 86 N N 0.351 118.817 118.700 -0.390 0.000 2.725 86 N HA -0.231 4.509 4.740 -0.000 0.000 0.251 86 N C -0.750 174.705 175.510 -0.092 0.000 1.031 86 N CA 0.043 52.966 53.050 -0.212 0.000 0.720 86 N CB -1.486 36.916 38.487 -0.143 0.000 0.930 86 N HN 0.073 nan 8.380 nan 0.000 0.543 87 F N 0.021 120.080 119.950 0.181 0.000 2.375 87 F HA 0.440 4.967 4.527 -0.000 0.000 0.313 87 F C -1.520 174.370 175.800 0.151 0.000 1.176 87 F CA -2.639 55.500 58.000 0.232 0.000 1.142 87 F CB -0.360 38.855 39.000 0.359 0.000 1.275 87 F HN -0.161 nan 8.300 nan 0.000 0.544 88 P HA 0.035 nan 4.420 nan 0.000 0.267 88 P C 0.328 177.705 177.300 0.129 0.000 1.205 88 P CA -0.016 63.209 63.100 0.209 0.000 0.765 88 P CB 0.678 32.489 31.700 0.185 0.000 0.828 89 K N 2.235 122.679 120.400 0.074 0.000 2.097 89 K HA -0.047 4.273 4.320 -0.000 0.000 0.206 89 K C 0.077 176.610 176.600 -0.112 0.000 1.049 89 K CA 1.759 58.032 56.287 -0.023 0.000 0.933 89 K CB -0.341 32.131 32.500 -0.046 0.000 0.717 89 K HN 0.400 nan 8.250 nan 0.000 0.442 90 T N 0.539 115.022 114.554 -0.119 0.000 2.890 90 T HA 0.516 4.866 4.350 -0.000 0.000 0.295 90 T C -0.191 174.524 174.700 0.025 0.000 0.993 90 T CA -0.586 61.436 62.100 -0.131 0.000 0.979 90 T CB 1.557 70.195 68.868 -0.383 0.000 0.967 90 T HN 0.297 nan 8.240 nan 0.000 0.441 91 G N 1.113 109.905 108.800 -0.014 0.000 2.636 91 G HA2 0.458 4.418 3.960 -0.000 0.000 0.246 91 G HA3 0.458 4.418 3.960 -0.000 0.000 0.246 91 G C 1.191 176.137 174.900 0.076 0.000 1.216 91 G CA -0.173 44.929 45.100 0.004 0.000 0.854 91 G HN 0.836 nan 8.290 nan 0.000 0.572 92 A N 0.450 123.315 122.820 0.076 0.000 1.933 92 A HA -0.041 4.279 4.320 -0.000 0.000 0.218 92 A C 2.401 180.037 177.584 0.086 0.000 1.175 92 A CA 1.249 53.345 52.037 0.098 0.000 0.628 92 A CB -0.382 18.664 19.000 0.077 0.000 0.814 92 A HN 0.551 nan 8.150 nan 0.000 0.444 93 L N -1.380 119.870 121.223 0.046 0.000 2.027 93 L HA -0.152 4.188 4.340 -0.000 0.000 0.206 93 L C 2.815 179.729 176.870 0.073 0.000 1.074 93 L CA 1.797 56.664 54.840 0.046 0.000 0.745 93 L CB -0.470 41.590 42.059 0.001 0.000 0.898 93 L HN 0.458 nan 8.230 nan 0.000 0.433 94 R N 0.267 120.806 120.500 0.063 0.000 2.092 94 R HA -0.114 4.226 4.340 -0.000 0.000 0.231 94 R C 2.260 178.697 176.300 0.228 0.000 1.119 94 R CA 1.287 57.472 56.100 0.142 0.000 0.970 94 R CB -0.400 29.984 30.300 0.140 0.000 0.864 94 R HN 0.357 nan 8.270 nan 0.000 0.440 95 G N -0.526 108.408 108.800 0.224 0.000 2.440 95 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.218 95 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.218 95 G C 1.421 176.423 174.900 0.170 0.000 1.154 95 G CA 0.778 46.051 45.100 0.288 0.000 0.767 95 G HN 0.508 nan 8.290 nan 0.000 0.552 96 G N 0.094 108.970 108.800 0.126 0.000 2.408 96 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.217 96 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.217 96 G C 1.610 176.534 174.900 0.040 0.000 1.150 96 G CA 0.794 45.938 45.100 0.073 0.000 0.776 96 G HN 0.355 nan 8.290 nan 0.000 0.542 97 F N 0.846 120.734 119.950 -0.104 0.000 2.102 97 F HA -0.007 4.520 4.527 -0.000 0.000 0.298 97 F C 2.339 177.894 175.800 -0.408 0.000 1.105 97 F CA 1.273 59.133 58.000 -0.234 0.000 1.239 97 F CB -0.212 38.626 39.000 -0.269 0.000 0.991 97 F HN 0.118 nan 8.300 nan 0.000 0.474 98 L N 0.267 121.333 121.223 -0.262 0.000 2.013 98 L HA -0.269 4.070 4.340 -0.000 0.000 0.212 98 L C 2.114 178.815 176.870 -0.282 0.000 1.073 98 L CA 1.933 56.542 54.840 -0.385 0.000 0.753 98 L CB -0.848 41.240 42.059 0.048 0.000 0.890 98 L HN 0.141 nan 8.230 nan 0.000 0.432 99 M N -0.622 118.890 119.600 -0.147 0.000 2.117 99 M HA -0.189 4.291 4.480 -0.000 0.000 0.262 99 M C 2.210 178.395 176.300 -0.192 0.000 1.065 99 M CA 1.573 56.795 55.300 -0.129 0.000 1.114 99 M CB -1.337 31.228 32.600 -0.059 0.000 1.361 99 M HN 0.399 nan 8.290 nan 0.000 0.408 100 E N -0.464 119.591 120.200 -0.242 0.000 2.110 100 E HA -0.171 4.179 4.350 -0.000 0.000 0.193 100 E C 2.185 178.590 176.600 -0.325 0.000 0.988 100 E CA 1.331 57.571 56.400 -0.266 0.000 0.804 100 E CB -0.144 29.380 29.700 -0.293 0.000 0.745 100 E HN 0.494 nan 8.360 nan 0.000 0.458 101 C N 0.610 119.636 119.300 -0.457 0.000 2.429 101 C HA -0.090 4.370 4.460 -0.000 0.000 0.277 101 C C 2.574 177.380 174.990 -0.308 0.000 1.262 101 C CA 0.406 59.181 59.018 -0.405 0.000 1.733 101 C CB -0.859 26.581 27.740 -0.501 0.000 2.010 101 C HN 0.391 nan 8.230 nan 0.000 0.483 102 L N 0.195 121.229 121.223 -0.316 0.000 2.072 102 L HA -0.093 4.247 4.340 -0.000 0.000 0.205 102 L C 2.606 179.349 176.870 -0.213 0.000 1.079 102 L CA 1.052 55.713 54.840 -0.299 0.000 0.752 102 L CB -0.757 41.120 42.059 -0.304 0.000 0.906 102 L HN 0.180 nan 8.230 nan 0.000 0.436 103 V N 0.198 120.007 119.914 -0.175 0.000 2.287 103 V HA -0.341 3.779 4.120 -0.000 0.000 0.248 103 V C 2.182 178.196 176.094 -0.133 0.000 1.053 103 V CA 2.290 64.512 62.300 -0.131 0.000 1.027 103 V CB -0.494 31.264 31.823 -0.108 0.000 0.646 103 V HN 0.485 nan 8.190 nan 0.000 0.447 104 D N -0.449 119.863 120.400 -0.147 0.000 2.117 104 D HA -0.165 4.475 4.640 -0.000 0.000 0.198 104 D C 1.943 178.161 176.300 -0.137 0.000 0.982 104 D CA 1.061 54.987 54.000 -0.122 0.000 0.828 104 D CB -0.115 40.618 40.800 -0.113 0.000 0.967 104 D HN 0.269 nan 8.370 nan 0.000 0.464 105 L N 0.912 122.021 121.223 -0.191 0.000 2.017 105 L HA -0.077 4.263 4.340 -0.000 0.000 0.208 105 L C 2.321 179.056 176.870 -0.225 0.000 1.073 105 L CA 1.796 56.490 54.840 -0.244 0.000 0.745 105 L CB -0.786 41.049 42.059 -0.373 0.000 0.894 105 L HN -0.028 nan 8.230 nan 0.000 0.432 106 R N -0.165 120.215 120.500 -0.201 0.000 2.094 106 R HA -0.261 4.079 4.340 -0.000 0.000 0.239 106 R C 2.493 178.699 176.300 -0.157 0.000 1.137 106 R CA 2.221 58.217 56.100 -0.173 0.000 0.943 106 R CB -0.420 29.796 30.300 -0.139 0.000 0.850 106 R HN 0.445 nan 8.270 nan 0.000 0.433 107 K N -0.084 120.240 120.400 -0.128 0.000 2.032 107 K HA -0.172 4.148 4.320 -0.000 0.000 0.209 107 K C 1.665 178.212 176.600 -0.089 0.000 1.048 107 K CA 1.909 58.136 56.287 -0.100 0.000 0.927 107 K CB -0.107 32.347 32.500 -0.076 0.000 0.712 107 K HN 0.250 nan 8.250 nan 0.000 0.441 108 N N 0.909 119.553 118.700 -0.093 0.000 2.244 108 N HA -0.102 4.638 4.740 -0.000 0.000 0.183 108 N C 1.884 177.313 175.510 -0.135 0.000 1.016 108 N CA 0.851 53.846 53.050 -0.092 0.000 0.866 108 N CB -0.141 38.278 38.487 -0.114 0.000 0.980 108 N HN 0.215 nan 8.380 nan 0.000 0.430 109 L N 0.414 121.550 121.223 -0.145 0.000 2.083 109 L HA -0.061 4.279 4.340 -0.000 0.000 0.209 109 L C 2.295 179.086 176.870 -0.132 0.000 1.083 109 L CA 0.891 55.652 54.840 -0.131 0.000 0.752 109 L CB -0.287 41.697 42.059 -0.125 0.000 0.899 109 L HN 0.131 nan 8.230 nan 0.000 0.433 110 M N -0.605 118.908 119.600 -0.145 0.000 2.159 110 M HA -0.230 4.250 4.480 -0.000 0.000 0.263 110 M C 2.142 178.384 176.300 -0.097 0.000 1.063 110 M CA 1.698 56.914 55.300 -0.140 0.000 1.110 110 M CB -0.270 32.243 32.600 -0.145 0.000 1.374 110 M HN 0.090 nan 8.290 nan 0.000 0.411 111 K N -0.203 120.150 120.400 -0.078 0.000 2.209 111 K HA -0.093 4.227 4.320 -0.000 0.000 0.204 111 K C 1.474 178.039 176.600 -0.058 0.000 1.048 111 K CA 0.797 57.053 56.287 -0.051 0.000 0.940 111 K CB -0.004 32.484 32.500 -0.019 0.000 0.729 111 K HN 0.303 nan 8.250 nan 0.000 0.451 112 R N -0.525 119.926 120.500 -0.082 0.000 2.393 112 R HA 0.106 4.446 4.340 -0.000 0.000 0.244 112 R C 0.716 176.979 176.300 -0.062 0.000 0.920 112 R CA 0.631 56.680 56.100 -0.085 0.000 1.076 112 R CB 1.006 31.232 30.300 -0.124 0.000 1.119 112 R HN 0.366 nan 8.270 nan 0.000 0.524 113 G N 1.362 110.126 108.800 -0.060 0.000 2.132 113 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.234 113 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.234 113 G C 0.057 174.927 174.900 -0.051 0.000 0.989 113 G CA 0.044 45.118 45.100 -0.045 0.000 0.676 113 G HN 0.196 nan 8.290 nan 0.000 0.522 114 L N -1.142 120.030 121.223 -0.085 0.000 2.293 114 L HA 0.791 5.131 4.340 -0.000 0.000 0.264 114 L C 0.339 177.056 176.870 -0.255 0.000 1.029 114 L CA -1.280 53.498 54.840 -0.104 0.000 0.897 114 L CB 1.742 43.780 42.059 -0.034 0.000 1.497 114 L HN 0.160 nan 8.230 nan 0.000 0.495 115 N N -0.295 118.179 118.700 -0.376 0.000 2.934 115 N HA 0.455 5.195 4.740 -0.000 0.000 0.253 115 N C -2.026 173.290 175.510 -0.324 0.000 1.466 115 N CA -0.481 52.197 53.050 -0.620 0.000 0.858 115 N CB 2.015 39.606 38.487 -1.493 0.000 1.459 115 N HN 0.329 nan 8.380 nan 0.000 0.532 116 L N 1.751 122.864 121.223 -0.183 0.000 2.305 116 L HA 0.583 4.923 4.340 -0.000 0.000 0.284 116 L C -1.134 175.983 176.870 0.410 0.000 1.013 116 L CA -0.661 54.254 54.840 0.125 0.000 0.819 116 L CB 0.999 43.055 42.059 -0.006 0.000 1.227 116 L HN 0.540 nan 8.230 nan 0.000 0.417 117 L N 6.489 128.059 121.223 0.578 0.000 2.313 117 L HA 0.466 4.806 4.340 -0.000 0.000 0.282 117 L C -0.691 176.362 176.870 0.306 0.000 1.092 117 L CA 0.536 55.649 54.840 0.456 0.000 0.831 117 L CB 0.181 42.355 42.059 0.192 0.000 1.159 117 L HN 0.545 nan 8.230 nan 0.000 0.442 118 I N 6.026 126.753 120.570 0.261 0.000 2.378 118 I HA 0.530 4.700 4.170 -0.000 0.000 0.291 118 I C -0.172 176.048 176.117 0.171 0.000 0.992 118 I CA -0.733 60.709 61.300 0.237 0.000 1.154 118 I CB 1.020 39.145 38.000 0.207 0.000 1.315 118 I HN 0.521 nan 8.210 nan 0.000 0.448 119 R N 3.542 124.137 120.500 0.159 0.000 2.725 119 R HA 0.500 4.840 4.340 -0.000 0.000 0.277 119 R C -1.256 175.100 176.300 0.093 0.000 0.987 119 R CA -0.883 55.276 56.100 0.098 0.000 0.901 119 R CB 2.437 32.774 30.300 0.061 0.000 1.207 119 R HN 0.473 nan 8.270 nan 0.000 0.463 120 S N 0.369 116.111 115.700 0.069 0.000 2.457 120 S HA 0.822 5.292 4.470 -0.000 0.000 0.289 120 S C 0.063 174.687 174.600 0.038 0.000 1.163 120 S CA -0.094 58.143 58.200 0.062 0.000 1.078 120 S CB 1.597 64.826 63.200 0.048 0.000 0.987 120 S HN 0.860 nan 8.310 nan 0.000 0.482 121 G N 2.636 111.457 108.800 0.035 0.000 2.368 121 G HA2 0.134 4.094 3.960 -0.000 0.000 0.302 121 G HA3 0.134 4.094 3.960 -0.000 0.000 0.302 121 G C -1.956 172.945 174.900 0.001 0.000 1.329 121 G CA -1.115 43.995 45.100 0.016 0.000 0.935 121 G HN 0.535 nan 8.290 nan 0.000 0.590 122 K N 1.203 121.596 120.400 -0.012 0.000 2.276 122 K HA 0.334 4.654 4.320 -0.000 0.000 0.283 122 K C -1.647 174.904 176.600 -0.081 0.000 1.044 122 K CA -1.475 54.796 56.287 -0.026 0.000 0.944 122 K CB 1.930 34.419 32.500 -0.018 0.000 1.012 122 K HN 0.082 nan 8.250 nan 0.000 0.472 123 P HA -0.265 nan 4.420 nan 0.000 0.216 123 P C 0.922 178.027 177.300 -0.324 0.000 1.153 123 P CA 1.276 64.192 63.100 -0.308 0.000 0.858 123 P CB 0.167 31.620 31.700 -0.412 0.000 0.789 124 E N 0.297 120.371 120.200 -0.210 0.000 2.409 124 E HA -0.184 4.166 4.350 -0.000 0.000 0.198 124 E C 1.277 177.805 176.600 -0.121 0.000 1.024 124 E CA 1.213 57.515 56.400 -0.164 0.000 0.861 124 E CB -0.574 29.070 29.700 -0.093 0.000 0.788 124 E HN 0.395 nan 8.360 nan 0.000 0.521 125 E N 0.388 120.525 120.200 -0.105 0.000 2.162 125 E HA 0.140 4.490 4.350 -0.000 0.000 0.193 125 E C 2.279 178.828 176.600 -0.084 0.000 0.953 125 E CA 0.217 56.572 56.400 -0.076 0.000 0.849 125 E CB 0.106 29.776 29.700 -0.049 0.000 0.810 125 E HN 0.185 nan 8.360 nan 0.000 0.470 126 I N 1.325 121.834 120.570 -0.102 0.000 2.202 126 I HA -0.248 3.922 4.170 -0.000 0.000 0.242 126 I C 2.302 178.353 176.117 -0.110 0.000 1.091 126 I CA 1.027 62.272 61.300 -0.091 0.000 1.368 126 I CB -0.138 37.809 38.000 -0.089 0.000 1.058 126 I HN 0.073 nan 8.210 nan 0.000 0.410 127 L N 0.439 121.546 121.223 -0.194 0.000 2.017 127 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 127 L C -0.261 176.539 176.870 -0.116 0.000 1.073 127 L CA 1.593 56.312 54.840 -0.201 0.000 0.745 127 L CB -1.996 39.836 42.059 -0.379 0.000 0.894 127 L HN 0.180 nan 8.230 nan 0.000 0.432 128 P HA -0.151 nan 4.420 nan 0.000 0.218 128 P C 1.888 179.162 177.300 -0.044 0.000 1.149 128 P CA 1.387 64.445 63.100 -0.072 0.000 0.817 128 P CB 0.081 31.737 31.700 -0.073 0.000 0.785 129 S N -1.039 114.635 115.700 -0.043 0.000 2.368 129 S HA -0.098 4.372 4.470 -0.000 0.000 0.225 129 S C 1.785 176.385 174.600 0.001 0.000 1.030 129 S CA 1.001 59.184 58.200 -0.029 0.000 0.999 129 S CB -0.992 62.189 63.200 -0.032 0.000 0.844 129 S HN -0.018 nan 8.310 nan 0.000 0.459 130 L N 1.043 122.288 121.223 0.037 0.000 2.056 130 L HA -0.030 4.310 4.340 -0.000 0.000 0.207 130 L C 2.959 179.941 176.870 0.187 0.000 1.078 130 L CA 1.130 56.067 54.840 0.161 0.000 0.749 130 L CB -0.729 41.411 42.059 0.134 0.000 0.901 130 L HN 0.396 nan 8.230 nan 0.000 0.433 131 A N 0.265 123.132 122.820 0.077 0.000 1.908 131 A HA -0.278 4.042 4.320 -0.000 0.000 0.218 131 A C 2.409 180.023 177.584 0.051 0.000 1.181 131 A CA 2.178 54.253 52.037 0.062 0.000 0.627 131 A CB -0.455 18.549 19.000 0.007 0.000 0.818 131 A HN 0.354 nan 8.150 nan 0.000 0.445 132 K N -0.660 119.747 120.400 0.011 0.000 2.025 132 K HA -0.183 4.137 4.320 -0.000 0.000 0.207 132 K C 1.476 178.044 176.600 -0.054 0.000 1.049 132 K CA 1.607 57.882 56.287 -0.021 0.000 0.933 132 K CB -0.241 32.237 32.500 -0.037 0.000 0.714 132 K HN 0.334 nan 8.250 nan 0.000 0.438 133 D N 0.096 120.438 120.400 -0.098 0.000 2.104 133 D HA -0.169 4.471 4.640 -0.000 0.000 0.194 133 D C 1.387 177.457 176.300 -0.384 0.000 0.994 133 D CA 1.369 55.194 54.000 -0.292 0.000 0.830 133 D CB -0.153 40.379 40.800 -0.447 0.000 0.959 133 D HN 0.247 nan 8.370 nan 0.000 0.452 134 F N -0.654 119.278 119.950 -0.031 0.000 2.727 134 F HA 0.304 4.831 4.527 -0.000 0.000 0.302 134 F C 1.643 177.436 175.800 -0.011 0.000 1.097 134 F CA 0.208 58.196 58.000 -0.021 0.000 1.330 134 F CB 0.323 39.312 39.000 -0.019 0.000 1.084 134 F HN -0.020 nan 8.300 nan 0.000 0.578 135 G N 1.250 110.110 108.800 0.100 0.000 2.273 135 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.280 135 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.280 135 G C 0.276 175.220 174.900 0.074 0.000 1.047 135 G CA 0.005 45.142 45.100 0.062 0.000 0.869 135 G HN 0.645 nan 8.290 nan 0.000 0.502 136 A N -0.462 122.411 122.820 0.089 0.000 2.409 136 A HA 0.662 4.981 4.320 -0.000 0.000 0.267 136 A C 1.403 179.007 177.584 0.033 0.000 1.127 136 A CA 0.520 52.599 52.037 0.070 0.000 0.795 136 A CB 0.278 19.323 19.000 0.077 0.000 1.061 136 A HN 0.553 nan 8.150 nan 0.000 0.502 137 R N 0.781 121.298 120.500 0.028 0.000 2.090 137 R HA 0.008 4.348 4.340 -0.000 0.000 0.228 137 R C 0.409 176.689 176.300 -0.032 0.000 1.110 137 R CA 1.589 57.691 56.100 0.004 0.000 0.973 137 R CB -0.160 30.149 30.300 0.015 0.000 0.869 137 R HN 0.856 nan 8.270 nan 0.000 0.440 138 T N -2.819 111.709 114.554 -0.044 0.000 2.900 138 T HA 0.527 4.877 4.350 -0.000 0.000 0.303 138 T C -0.636 173.982 174.700 -0.137 0.000 1.142 138 T CA -0.918 61.081 62.100 -0.167 0.000 1.007 138 T CB 2.457 71.113 68.868 -0.353 0.000 1.156 138 T HN -0.216 nan 8.240 nan 0.000 0.490 139 V N 2.536 122.335 119.914 -0.192 0.000 2.384 139 V HA 0.554 4.674 4.120 -0.000 0.000 0.287 139 V C -0.962 175.037 176.094 -0.157 0.000 1.020 139 V CA -0.750 61.510 62.300 -0.066 0.000 0.850 139 V CB 0.653 32.477 31.823 0.002 0.000 0.987 139 V HN 0.850 nan 8.190 nan 0.000 0.436 140 F N 3.011 123.005 119.950 0.074 0.000 2.422 140 F HA 0.848 5.375 4.527 -0.000 0.000 0.333 140 F C 0.521 176.332 175.800 0.018 0.000 1.095 140 F CA -0.115 57.900 58.000 0.026 0.000 1.038 140 F CB 1.912 40.894 39.000 -0.029 0.000 1.156 140 F HN 0.632 nan 8.300 nan 0.000 0.483 141 A N 1.588 124.488 122.820 0.134 0.000 2.601 141 A HA 0.562 4.882 4.320 -0.000 0.000 0.291 141 A C -1.750 175.744 177.584 -0.150 0.000 1.075 141 A CA -0.807 51.192 52.037 -0.065 0.000 0.671 141 A CB 0.609 19.558 19.000 -0.085 0.000 1.277 141 A HN 0.794 nan 8.150 nan 0.000 0.417 142 H N 0.606 119.575 119.070 -0.167 0.000 2.652 142 H HA 0.430 4.986 4.556 -0.000 0.000 0.349 142 H C 0.228 175.455 175.328 -0.168 0.000 1.099 142 H CA 0.451 56.407 56.048 -0.153 0.000 1.417 142 H CB 0.932 30.571 29.762 -0.205 0.000 1.457 142 H HN 0.594 nan 8.280 nan 0.000 0.568 143 K N 2.680 123.096 120.400 0.027 0.000 2.350 143 K HA 0.052 4.372 4.320 -0.000 0.000 0.279 143 K C -0.379 176.168 176.600 -0.088 0.000 1.027 143 K CA -0.049 56.253 56.287 0.025 0.000 0.969 143 K CB 0.497 33.109 32.500 0.186 0.000 0.954 143 K HN 0.522 nan 8.250 nan 0.000 0.474 144 E N 1.103 121.278 120.200 -0.042 0.000 2.281 144 E HA 0.241 4.591 4.350 -0.000 0.000 0.257 144 E C 0.282 176.909 176.600 0.044 0.000 0.971 144 E CA -0.177 56.186 56.400 -0.062 0.000 0.839 144 E CB 1.661 31.320 29.700 -0.067 0.000 1.238 144 E HN 0.812 nan 8.360 nan 0.000 0.412 145 T N -3.846 110.737 114.554 0.048 0.000 2.964 145 T HA 0.185 4.535 4.350 -0.000 0.000 0.249 145 T C 0.989 175.757 174.700 0.113 0.000 1.000 145 T CA -0.108 62.066 62.100 0.123 0.000 0.992 145 T CB -0.188 68.768 68.868 0.147 0.000 1.087 145 T HN 0.316 nan 8.240 nan 0.000 0.489 146 C N 2.151 121.509 119.300 0.097 0.000 2.382 146 C HA 0.709 5.169 4.460 -0.000 0.000 0.363 146 C C 2.382 177.436 174.990 0.106 0.000 1.213 146 C CA -0.078 59.025 59.018 0.142 0.000 2.363 146 C CB 1.063 28.928 27.740 0.209 0.000 2.397 146 C HN 0.611 nan 8.230 nan 0.000 0.573 147 S N 0.753 116.525 115.700 0.120 0.000 2.393 147 S HA -0.250 4.220 4.470 -0.000 0.000 0.235 147 S C 1.646 176.258 174.600 0.020 0.000 1.061 147 S CA 2.562 60.796 58.200 0.057 0.000 1.129 147 S CB -0.332 62.879 63.200 0.019 0.000 1.011 147 S HN 0.855 nan 8.310 nan 0.000 0.436 148 E N -0.171 120.018 120.200 -0.019 0.000 2.077 148 E HA -0.155 4.195 4.350 -0.000 0.000 0.193 148 E C 2.230 178.846 176.600 0.027 0.000 0.989 148 E CA 1.517 57.909 56.400 -0.013 0.000 0.800 148 E CB -0.149 29.525 29.700 -0.043 0.000 0.746 148 E HN 0.547 nan 8.360 nan 0.000 0.452 149 E N -0.005 120.214 120.200 0.033 0.000 2.072 149 E HA -0.135 4.215 4.350 -0.000 0.000 0.190 149 E C 2.246 178.889 176.600 0.072 0.000 0.982 149 E CA 1.152 57.580 56.400 0.045 0.000 0.803 149 E CB -0.173 29.534 29.700 0.012 0.000 0.755 149 E HN 0.289 nan 8.360 nan 0.000 0.453 150 V N -0.763 119.194 119.914 0.072 0.000 2.667 150 V HA -0.145 3.975 4.120 -0.000 0.000 0.252 150 V C 1.792 177.939 176.094 0.088 0.000 1.065 150 V CA 1.968 64.320 62.300 0.088 0.000 1.083 150 V CB -0.401 31.477 31.823 0.092 0.000 0.692 150 V HN 0.024 nan 8.190 nan 0.000 0.468 151 D N 0.804 121.247 120.400 0.072 0.000 2.117 151 D HA -0.129 4.511 4.640 -0.000 0.000 0.198 151 D C 2.000 178.346 176.300 0.076 0.000 0.982 151 D CA 1.675 55.712 54.000 0.062 0.000 0.828 151 D CB -0.105 40.721 40.800 0.042 0.000 0.967 151 D HN 0.338 nan 8.370 nan 0.000 0.464 152 V N 0.525 120.500 119.914 0.103 0.000 2.407 152 V HA -0.200 3.920 4.120 -0.000 0.000 0.248 152 V C 2.225 178.435 176.094 0.193 0.000 1.055 152 V CA 1.758 64.144 62.300 0.143 0.000 1.049 152 V CB -0.543 31.404 31.823 0.207 0.000 0.662 152 V HN 0.249 nan 8.190 nan 0.000 0.455 153 E N 0.020 120.354 120.200 0.222 0.000 2.058 153 E HA -0.282 4.068 4.350 -0.000 0.000 0.194 153 E C 2.428 179.109 176.600 0.134 0.000 0.997 153 E CA 1.584 58.124 56.400 0.233 0.000 0.801 153 E CB -0.259 29.549 29.700 0.181 0.000 0.746 153 E HN 0.472 nan 8.360 nan 0.000 0.450 154 R N 0.908 121.465 120.500 0.096 0.000 2.080 154 R HA -0.172 4.168 4.340 -0.000 0.000 0.236 154 R C 2.343 178.666 176.300 0.038 0.000 1.137 154 R CA 1.331 57.468 56.100 0.061 0.000 0.943 154 R CB -0.279 30.053 30.300 0.053 0.000 0.846 154 R HN 0.156 nan 8.270 nan 0.000 0.431 155 L N 0.225 121.468 121.223 0.033 0.000 2.083 155 L HA -0.147 4.193 4.340 -0.000 0.000 0.209 155 L C 2.480 179.334 176.870 -0.028 0.000 1.083 155 L CA 0.798 55.640 54.840 0.004 0.000 0.752 155 L CB -0.291 41.770 42.059 0.003 0.000 0.899 155 L HN 0.086 nan 8.230 nan 0.000 0.433 156 V N 0.054 119.943 119.914 -0.040 0.000 2.295 156 V HA -0.279 3.841 4.120 -0.000 0.000 0.246 156 V C 2.296 178.352 176.094 -0.065 0.000 1.049 156 V CA 2.054 64.285 62.300 -0.114 0.000 1.024 156 V CB -0.664 31.027 31.823 -0.221 0.000 0.648 156 V HN 0.485 nan 8.190 nan 0.000 0.447 157 N N 0.159 118.853 118.700 -0.010 0.000 2.084 157 N HA -0.198 4.542 4.740 -0.000 0.000 0.190 157 N C 1.954 177.455 175.510 -0.015 0.000 1.030 157 N CA 1.779 54.827 53.050 -0.003 0.000 0.849 157 N CB -0.220 38.281 38.487 0.023 0.000 1.012 157 N HN 0.562 nan 8.380 nan 0.000 0.423 158 Q N -0.854 118.940 119.800 -0.010 0.000 2.124 158 Q HA -0.024 4.316 4.340 -0.000 0.000 0.202 158 Q C 2.071 178.056 176.000 -0.025 0.000 0.977 158 Q CA 1.333 57.129 55.803 -0.012 0.000 0.850 158 Q CB -0.390 28.345 28.738 -0.005 0.000 0.901 158 Q HN 0.486 nan 8.270 nan 0.000 0.429 159 G N 1.111 109.888 108.800 -0.038 0.000 2.440 159 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.218 159 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.218 159 G C 1.401 176.271 174.900 -0.049 0.000 1.154 159 G CA 0.655 45.725 45.100 -0.049 0.000 0.767 159 G HN 0.179 nan 8.290 nan 0.000 0.552 160 L N -0.149 121.043 121.223 -0.053 0.000 2.056 160 L HA -0.032 4.308 4.340 -0.000 0.000 0.207 160 L C 2.951 179.800 176.870 -0.034 0.000 1.078 160 L CA 1.252 56.064 54.840 -0.047 0.000 0.749 160 L CB -0.288 41.740 42.059 -0.052 0.000 0.901 160 L HN 0.169 nan 8.230 nan 0.000 0.433 161 K N -0.152 120.231 120.400 -0.028 0.000 2.097 161 K HA -0.189 4.131 4.320 -0.000 0.000 0.205 161 K C 2.241 178.829 176.600 -0.020 0.000 1.050 161 K CA 1.076 57.351 56.287 -0.021 0.000 0.938 161 K CB -0.139 32.352 32.500 -0.015 0.000 0.718 161 K HN 0.129 nan 8.250 nan 0.000 0.442 162 R N 1.157 121.644 120.500 -0.022 0.000 2.148 162 R HA -0.092 4.248 4.340 -0.000 0.000 0.227 162 R C 1.935 178.222 176.300 -0.022 0.000 1.103 162 R CA 1.067 57.155 56.100 -0.021 0.000 0.983 162 R CB 0.054 30.341 30.300 -0.022 0.000 0.874 162 R HN 0.182 nan 8.270 nan 0.000 0.451 163 V N -2.912 116.986 119.914 -0.026 0.000 3.623 163 V HA 0.415 4.535 4.120 -0.000 0.000 0.271 163 V C 0.477 176.557 176.094 -0.022 0.000 1.248 163 V CA 0.595 62.880 62.300 -0.026 0.000 1.156 163 V CB -0.060 31.745 31.823 -0.029 0.000 0.870 163 V HN 0.357 nan 8.190 nan 0.000 0.453 164 G N 0.941 109.729 108.800 -0.020 0.000 2.347 164 G HA2 0.077 4.037 3.960 -0.000 0.000 0.321 164 G HA3 0.077 4.037 3.960 -0.000 0.000 0.321 164 G C -0.662 174.228 174.900 -0.016 0.000 1.412 164 G CA -0.357 44.733 45.100 -0.017 0.000 0.990 164 G HN 0.698 nan 8.290 nan 0.000 0.637 165 N N -0.705 117.987 118.700 -0.014 0.000 2.290 165 N HA 0.456 5.196 4.740 -0.000 0.000 0.269 165 N C 1.610 177.111 175.510 -0.015 0.000 1.295 165 N CA 1.853 54.895 53.050 -0.013 0.000 0.932 165 N CB 0.563 39.044 38.487 -0.010 0.000 1.128 165 N HN 2.390 nan 8.380 nan 0.000 0.532 166 S N -3.073 112.618 115.700 -0.015 0.000 1.619 166 S HA -0.252 4.218 4.470 -0.000 0.000 0.235 166 S C 0.106 174.692 174.600 -0.024 0.000 0.805 166 S CA 1.518 59.708 58.200 -0.016 0.000 1.403 166 S CB -2.887 60.306 63.200 -0.011 0.000 1.782 166 S HN 0.975 nan 8.310 nan 0.000 0.524 167 T N 3.520 118.058 114.554 -0.025 0.000 2.784 167 T HA 0.532 4.882 4.350 -0.000 0.000 0.291 167 T C -0.194 174.478 174.700 -0.047 0.000 0.942 167 T CA 0.246 62.325 62.100 -0.034 0.000 1.161 167 T CB 0.867 69.718 68.868 -0.029 0.000 0.885 167 T HN 0.697 nan 8.240 nan 0.000 0.534 168 K N 2.568 122.926 120.400 -0.071 0.000 2.397 168 K HA 0.512 4.832 4.320 -0.000 0.000 0.253 168 K C -1.103 175.422 176.600 -0.124 0.000 0.932 168 K CA -1.016 55.220 56.287 -0.085 0.000 0.795 168 K CB 1.305 33.751 32.500 -0.091 0.000 1.159 168 K HN 0.360 nan 8.250 nan 0.000 0.424 169 L N 3.969 125.143 121.223 -0.082 0.000 2.281 169 L HA 0.283 4.623 4.340 -0.000 0.000 0.285 169 L C -0.874 175.940 176.870 -0.093 0.000 1.074 169 L CA 0.486 55.286 54.840 -0.067 0.000 0.817 169 L CB 0.713 42.784 42.059 0.020 0.000 1.168 169 L HN 0.544 nan 8.230 nan 0.000 0.434 170 E N 6.821 126.904 120.200 -0.195 0.000 2.114 170 E HA 0.340 4.690 4.350 -0.000 0.000 0.266 170 E C -1.060 175.543 176.600 0.005 0.000 0.896 170 E CA -0.332 55.973 56.400 -0.158 0.000 0.750 170 E CB 1.674 31.113 29.700 -0.435 0.000 1.121 170 E HN 0.592 nan 8.360 nan 0.000 0.413 171 L N 3.867 125.133 121.223 0.072 0.000 2.295 171 L HA 0.452 4.792 4.340 -0.000 0.000 0.285 171 L C -0.100 176.856 176.870 0.143 0.000 1.035 171 L CA -0.808 54.093 54.840 0.102 0.000 0.806 171 L CB 0.945 43.069 42.059 0.109 0.000 1.214 171 L HN 0.274 nan 8.230 nan 0.000 0.426 172 I N 2.310 122.945 120.570 0.110 0.000 2.378 172 I HA 0.161 4.331 4.170 -0.000 0.000 0.291 172 I C -0.149 176.105 176.117 0.228 0.000 0.992 172 I CA -0.569 60.820 61.300 0.148 0.000 1.154 172 I CB 1.683 39.681 38.000 -0.003 0.000 1.315 172 I HN 0.724 nan 8.210 nan 0.000 0.448 173 W N 6.946 128.339 121.300 0.154 0.000 2.264 173 W HA 0.415 5.075 4.660 -0.000 0.000 0.331 173 W C -0.231 176.369 176.519 0.135 0.000 1.364 173 W CA 0.448 57.850 57.345 0.095 0.000 1.253 173 W CB 1.111 30.547 29.460 -0.039 0.000 1.215 173 W HN 0.661 nan 8.180 nan 0.000 0.561 174 G N 1.804 110.171 108.800 -0.722 0.000 2.870 174 G HA2 0.432 4.392 3.960 -0.000 0.000 0.299 174 G HA3 0.432 4.392 3.960 -0.000 0.000 0.299 174 G C 0.145 174.554 174.900 -0.820 0.000 1.324 174 G CA 0.321 45.103 45.100 -0.531 0.000 0.808 174 G HN 1.078 nan 8.290 nan 0.000 0.535 175 S N -2.845 112.566 115.700 -0.482 0.000 2.000 175 S HA -0.245 4.225 4.470 -0.000 0.000 0.243 175 S C 0.665 175.144 174.600 -0.202 0.000 1.092 175 S CA 2.314 60.289 58.200 -0.375 0.000 1.426 175 S CB -2.563 60.350 63.200 -0.480 0.000 1.779 175 S HN 2.480 nan 8.310 nan 0.000 0.565 176 T N -0.725 113.764 114.554 -0.108 0.000 2.929 176 T HA 0.758 5.108 4.350 -0.000 0.000 0.284 176 T C 1.017 175.800 174.700 0.137 0.000 1.014 176 T CA -0.208 61.938 62.100 0.077 0.000 1.051 176 T CB 1.659 70.666 68.868 0.230 0.000 1.028 176 T HN 0.379 nan 8.240 nan 0.000 0.485 177 M N 0.519 120.198 119.600 0.131 0.000 2.123 177 M HA 0.146 4.626 4.480 -0.000 0.000 0.263 177 M C -0.471 175.786 176.300 -0.071 0.000 1.069 177 M CA 1.108 56.413 55.300 0.008 0.000 1.133 177 M CB 0.019 32.586 32.600 -0.055 0.000 1.356 177 M HN 0.699 nan 8.290 nan 0.000 0.415 178 Y N 0.746 121.166 120.300 0.200 0.000 2.350 178 Y HA 0.151 4.701 4.550 -0.000 0.000 0.340 178 Y C 0.223 176.368 175.900 0.408 0.000 1.006 178 Y CA -0.633 57.606 58.100 0.232 0.000 1.166 178 Y CB 0.167 38.744 38.460 0.195 0.000 1.168 178 Y HN 0.071 nan 8.280 nan 0.000 0.502 179 H N 4.327 123.617 119.070 0.367 0.000 2.764 179 H HA 0.020 4.576 4.556 -0.000 0.000 0.341 179 H C 1.070 176.498 175.328 0.165 0.000 1.072 179 H CA 0.389 56.649 56.048 0.355 0.000 1.444 179 H CB 1.142 31.042 29.762 0.231 0.000 1.458 179 H HN 0.830 nan 8.280 nan 0.000 0.572 180 K N 2.967 123.281 120.400 -0.144 0.000 2.074 180 K HA -0.181 4.139 4.320 -0.000 0.000 0.209 180 K C 0.786 177.282 176.600 -0.173 0.000 1.048 180 K CA 2.027 58.070 56.287 -0.407 0.000 0.926 180 K CB 0.197 31.968 32.500 -1.215 0.000 0.713 180 K HN 0.591 nan 8.250 nan 0.000 0.444 181 D N 0.630 121.103 120.400 0.121 0.000 2.310 181 D HA -0.098 4.542 4.640 -0.000 0.000 0.212 181 D C 0.819 177.106 176.300 -0.022 0.000 0.965 181 D CA 0.869 54.893 54.000 0.039 0.000 0.879 181 D CB -0.018 40.817 40.800 0.058 0.000 0.921 181 D HN 0.273 nan 8.370 nan 0.000 0.510 182 D N -0.261 120.151 120.400 0.020 0.000 2.350 182 D HA 0.076 4.716 4.640 -0.000 0.000 0.213 182 D C 0.877 177.100 176.300 -0.129 0.000 1.031 182 D CA -0.070 53.910 54.000 -0.033 0.000 0.861 182 D CB 0.503 41.329 40.800 0.044 0.000 0.926 182 D HN 0.207 nan 8.370 nan 0.000 0.520 183 L N 1.605 122.706 121.223 -0.203 0.000 2.482 183 L HA 0.091 4.431 4.340 -0.000 0.000 0.273 183 L C -1.229 175.310 176.870 -0.552 0.000 1.228 183 L CA -1.046 53.537 54.840 -0.429 0.000 0.827 183 L CB 0.169 41.961 42.059 -0.444 0.000 1.099 183 L HN -0.151 nan 8.230 nan 0.000 0.494 184 P HA 0.112 nan 4.420 nan 0.000 0.255 184 P C -1.032 175.864 177.300 -0.673 0.000 1.357 184 P CA 0.334 62.991 63.100 -0.740 0.000 0.839 184 P CB -0.134 31.154 31.700 -0.686 0.000 1.356 185 F N -2.931 116.950 119.950 -0.114 0.000 2.719 185 F HA 0.490 5.017 4.527 -0.000 0.000 0.309 185 F C -0.524 175.206 175.800 -0.117 0.000 1.138 185 F CA -2.411 55.535 58.000 -0.090 0.000 0.943 185 F CB 0.071 39.034 39.000 -0.062 0.000 1.304 185 F HN -0.366 nan 8.300 nan 0.000 0.445 186 D N 0.417 120.904 120.400 0.146 0.000 2.362 186 D HA 0.348 4.988 4.640 -0.000 0.000 0.242 186 D C 1.276 177.632 176.300 0.094 0.000 1.132 186 D CA -0.147 53.876 54.000 0.038 0.000 0.907 186 D CB 1.757 42.532 40.800 -0.042 0.000 1.195 186 D HN 0.601 nan 8.370 nan 0.000 0.429 187 V N 1.249 121.180 119.914 0.029 0.000 2.594 187 V HA -0.167 3.953 4.120 -0.000 0.000 0.253 187 V C 1.919 178.137 176.094 0.207 0.000 1.069 187 V CA 1.094 63.436 62.300 0.070 0.000 1.082 187 V CB -1.037 30.830 31.823 0.073 0.000 0.680 187 V HN 0.495 nan 8.190 nan 0.000 0.469 188 F N 1.333 121.260 119.950 -0.038 0.000 2.269 188 F HA -0.024 4.503 4.527 -0.000 0.000 0.301 188 F C 2.016 177.780 175.800 -0.060 0.000 1.082 188 F CA 1.092 59.069 58.000 -0.038 0.000 1.360 188 F CB -0.609 38.380 39.000 -0.019 0.000 1.041 188 F HN 0.335 nan 8.300 nan 0.000 0.512 189 D N 0.376 120.846 120.400 0.116 0.000 2.525 189 D HA 0.055 4.695 4.640 -0.000 0.000 0.229 189 D C 0.212 176.375 176.300 -0.229 0.000 1.202 189 D CA -0.155 53.836 54.000 -0.014 0.000 0.828 189 D CB 0.212 41.035 40.800 0.039 0.000 1.008 189 D HN 0.057 nan 8.370 nan 0.000 0.493 190 L N 2.331 123.402 121.223 -0.253 0.000 2.540 190 L HA 0.080 4.420 4.340 -0.000 0.000 0.276 190 L C -2.236 174.416 176.870 -0.365 0.000 1.212 190 L CA -0.575 53.988 54.840 -0.463 0.000 0.893 190 L CB 0.240 42.156 42.059 -0.239 0.000 1.138 190 L HN -0.203 nan 8.230 nan 0.000 0.491 191 P HA 0.009 nan 4.420 nan 0.000 0.265 191 P C -0.465 176.828 177.300 -0.012 0.000 1.193 191 P CA 0.114 63.098 63.100 -0.193 0.000 0.765 191 P CB 0.460 32.054 31.700 -0.176 0.000 0.823 192 D N 0.889 121.293 120.400 0.005 0.000 2.363 192 D HA 0.012 4.652 4.640 -0.000 0.000 0.226 192 D C 0.138 176.528 176.300 0.151 0.000 1.020 192 D CA 0.810 54.855 54.000 0.076 0.000 0.892 192 D CB 0.177 40.996 40.800 0.031 0.000 0.900 192 D HN 0.080 nan 8.370 nan 0.000 0.531 193 V N 1.750 121.716 119.914 0.086 0.000 2.409 193 V HA 0.048 4.168 4.120 -0.000 0.000 0.291 193 V C 0.791 176.799 176.094 -0.144 0.000 1.020 193 V CA -0.907 61.424 62.300 0.053 0.000 0.848 193 V CB 1.606 33.445 31.823 0.026 0.000 0.990 193 V HN 0.026 nan 8.190 nan 0.000 0.430 194 Y N 4.432 124.479 120.300 -0.422 0.000 2.128 194 Y HA -0.274 4.276 4.550 -0.000 0.000 0.284 194 Y C 2.305 177.834 175.900 -0.618 0.000 1.154 194 Y CA 2.684 60.136 58.100 -1.081 0.000 1.149 194 Y CB -0.129 37.505 38.460 -1.377 0.000 0.976 194 Y HN 0.654 nan 8.280 nan 0.000 0.505 195 T N 0.720 115.091 114.554 -0.305 0.000 2.759 195 T HA -0.240 4.110 4.350 -0.000 0.000 0.269 195 T C 1.674 176.190 174.700 -0.307 0.000 1.042 195 T CA 1.905 63.848 62.100 -0.263 0.000 1.140 195 T CB -0.236 68.653 68.868 0.035 0.000 0.864 195 T HN 0.526 nan 8.240 nan 0.000 0.455 196 Q N -0.262 119.406 119.800 -0.219 0.000 2.079 196 Q HA -0.040 4.300 4.340 -0.000 0.000 0.200 196 Q C 2.038 177.926 176.000 -0.186 0.000 0.974 196 Q CA 1.281 56.991 55.803 -0.156 0.000 0.840 196 Q CB -0.345 28.343 28.738 -0.085 0.000 0.898 196 Q HN 0.549 nan 8.270 nan 0.000 0.430 197 F N 1.734 121.421 119.950 -0.439 0.000 2.069 197 F HA -0.250 4.277 4.527 0.000 0.000 0.298 197 F C 2.418 177.937 175.800 -0.468 0.000 1.113 197 F CA 1.810 59.568 58.000 -0.403 0.000 1.214 197 F CB -0.159 38.470 39.000 -0.618 0.000 0.978 197 F HN -0.135 nan 8.300 nan 0.000 0.474 198 R N 0.633 120.600 120.500 -0.888 0.000 2.080 198 R HA -0.189 4.151 4.340 -0.000 0.000 0.236 198 R C 2.310 178.281 176.300 -0.550 0.000 1.137 198 R CA 2.065 57.633 56.100 -0.886 0.000 0.943 198 R CB -0.321 29.396 30.300 -0.972 0.000 0.846 198 R HN 0.289 nan 8.270 nan 0.000 0.431 199 K N -0.147 120.026 120.400 -0.377 0.000 2.063 199 K HA -0.083 4.237 4.320 -0.000 0.000 0.208 199 K C 2.232 178.686 176.600 -0.243 0.000 1.048 199 K CA 1.864 58.014 56.287 -0.228 0.000 0.928 199 K CB -0.045 32.369 32.500 -0.142 0.000 0.713 199 K HN 0.120 nan 8.250 nan 0.000 0.442 200 S N 0.682 116.222 115.700 -0.267 0.000 2.356 200 S HA -0.128 4.342 4.470 -0.000 0.000 0.223 200 S C 2.213 176.575 174.600 -0.396 0.000 1.032 200 S CA 1.551 59.607 58.200 -0.240 0.000 1.005 200 S CB -0.322 62.845 63.200 -0.055 0.000 0.867 200 S HN 0.327 nan 8.310 nan 0.000 0.449 201 V N 0.628 120.165 119.914 -0.628 0.000 2.427 201 V HA -0.060 4.060 4.120 -0.000 0.000 0.248 201 V C 1.816 177.576 176.094 -0.557 0.000 1.051 201 V CA 1.578 63.394 62.300 -0.807 0.000 1.048 201 V CB -0.878 30.071 31.823 -1.457 0.000 0.666 201 V HN 0.373 nan 8.190 nan 0.000 0.456 202 E N 1.081 121.038 120.200 -0.406 0.000 2.150 202 E HA -0.018 4.332 4.350 -0.000 0.000 0.193 202 E C 2.314 178.858 176.600 -0.093 0.000 0.985 202 E CA 1.251 57.566 56.400 -0.141 0.000 0.814 202 E CB -0.260 29.401 29.700 -0.066 0.000 0.752 202 E HN 0.747 nan 8.360 nan 0.000 0.466 203 A N 1.043 123.778 122.820 -0.141 0.000 1.975 203 A HA -0.061 4.259 4.320 -0.000 0.000 0.215 203 A C 1.771 179.294 177.584 -0.101 0.000 1.170 203 A CA 0.955 52.933 52.037 -0.099 0.000 0.656 203 A CB 0.155 19.095 19.000 -0.100 0.000 0.821 203 A HN -0.007 nan 8.150 nan 0.000 0.449 204 K N -2.089 118.219 120.400 -0.153 0.000 2.402 204 K HA 0.246 4.566 4.320 -0.000 0.000 0.203 204 K C -0.535 175.985 176.600 -0.135 0.000 1.077 204 K CA -0.105 56.093 56.287 -0.148 0.000 1.051 204 K CB 0.696 33.078 32.500 -0.196 0.000 0.907 204 K HN 0.420 nan 8.250 nan 0.000 0.554 205 C N 0.410 119.637 119.300 -0.121 0.000 2.595 205 C HA 0.588 5.048 4.460 -0.000 0.000 0.338 205 C C 0.278 175.325 174.990 0.095 0.000 1.219 205 C CA -0.759 58.245 59.018 -0.024 0.000 1.811 205 C CB 1.728 29.457 27.740 -0.020 0.000 2.313 205 C HN 0.157 nan 8.230 nan 0.000 0.499 206 S N 0.306 116.064 115.700 0.097 0.000 2.607 206 S HA 0.664 5.134 4.470 -0.000 0.000 0.303 206 S C -0.717 173.879 174.600 -0.007 0.000 1.086 206 S CA -0.377 57.861 58.200 0.063 0.000 0.995 206 S CB 0.938 64.160 63.200 0.036 0.000 1.084 206 S HN 0.523 nan 8.310 nan 0.000 0.507 207 I N 2.240 122.694 120.570 -0.194 0.000 2.365 207 I HA 0.307 4.477 4.170 -0.000 0.000 0.291 207 I C 0.599 176.659 176.117 -0.095 0.000 1.004 207 I CA -0.450 60.639 61.300 -0.352 0.000 1.311 207 I CB 0.782 38.250 38.000 -0.886 0.000 1.401 207 I HN 0.394 nan 8.210 nan 0.000 0.491 208 R N 3.715 124.201 120.500 -0.023 0.000 2.594 208 R HA 0.225 4.565 4.340 -0.000 0.000 0.272 208 R C 0.041 176.396 176.300 0.092 0.000 1.074 208 R CA -0.344 55.782 56.100 0.044 0.000 1.105 208 R CB 0.513 30.851 30.300 0.062 0.000 1.008 208 R HN 0.576 nan 8.270 nan 0.000 0.472 209 S N 1.187 116.950 115.700 0.105 0.000 2.573 209 S HA -0.007 4.463 4.470 -0.000 0.000 0.277 209 S C 0.275 174.956 174.600 0.136 0.000 1.346 209 S CA -0.498 57.787 58.200 0.141 0.000 1.034 209 S CB 0.780 64.047 63.200 0.113 0.000 0.879 209 S HN 0.671 nan 8.310 nan 0.000 0.528 210 S N 2.213 118.026 115.700 0.187 0.000 2.572 210 S HA 0.184 4.654 4.470 -0.000 0.000 0.279 210 S C 0.073 174.735 174.600 0.104 0.000 1.341 210 S CA -0.714 57.577 58.200 0.152 0.000 1.043 210 S CB 0.120 63.422 63.200 0.171 0.000 0.887 210 S HN 0.579 nan 8.310 nan 0.000 0.516 211 T N 4.396 118.973 114.554 0.039 0.000 2.870 211 T HA 0.255 4.605 4.350 -0.000 0.000 0.300 211 T C 0.220 174.914 174.700 -0.011 0.000 0.989 211 T CA -0.436 61.641 62.100 -0.038 0.000 1.139 211 T CB 0.061 68.880 68.868 -0.081 0.000 0.920 211 T HN 0.459 nan 8.240 nan 0.000 0.537 212 R N 2.863 123.348 120.500 -0.026 0.000 2.357 212 R HA 0.433 4.773 4.340 -0.000 0.000 0.296 212 R C -0.200 176.097 176.300 -0.004 0.000 1.052 212 R CA -0.770 55.347 56.100 0.028 0.000 0.988 212 R CB 0.513 30.837 30.300 0.041 0.000 1.025 212 R HN 0.501 nan 8.270 nan 0.000 0.469 213 I N 5.114 125.668 120.570 -0.027 0.000 2.404 213 I HA 0.334 4.504 4.170 -0.000 0.000 0.293 213 I C -2.045 173.958 176.117 -0.189 0.000 0.992 213 I CA -2.821 58.415 61.300 -0.108 0.000 1.149 213 I CB 1.672 39.586 38.000 -0.144 0.000 1.315 213 I HN 0.204 nan 8.210 nan 0.000 0.446 214 P HA 0.215 nan 4.420 nan 0.000 0.274 214 P C 0.813 177.954 177.300 -0.265 0.000 1.237 214 P CA -0.339 62.563 63.100 -0.329 0.000 0.793 214 P CB 1.322 32.693 31.700 -0.550 0.000 0.977 215 L N -0.173 120.959 121.223 -0.152 0.000 2.291 215 L HA -0.019 4.321 4.340 -0.000 0.000 0.214 215 L C 1.449 178.257 176.870 -0.103 0.000 1.120 215 L CA 1.232 56.008 54.840 -0.106 0.000 0.799 215 L CB -0.323 41.706 42.059 -0.049 0.000 0.925 215 L HN 0.379 nan 8.230 nan 0.000 0.446 216 S N -0.209 115.429 115.700 -0.104 0.000 2.520 216 S HA 0.450 4.920 4.470 -0.000 0.000 0.324 216 S C 0.436 175.001 174.600 -0.058 0.000 1.069 216 S CA -0.616 57.557 58.200 -0.045 0.000 1.121 216 S CB 0.745 63.960 63.200 0.026 0.000 0.971 216 S HN 0.179 nan 8.310 nan 0.000 0.463 217 L N 4.049 125.239 121.223 -0.054 0.000 2.731 217 L HA 0.403 4.743 4.340 -0.000 0.000 0.240 217 L C 1.575 178.533 176.870 0.146 0.000 1.120 217 L CA -0.218 54.611 54.840 -0.019 0.000 0.913 217 L CB -0.117 41.872 42.059 -0.116 0.000 1.213 217 L HN 0.702 nan 8.230 nan 0.000 0.515 218 G N 0.856 109.713 108.800 0.095 0.000 2.588 218 G HA2 0.398 4.358 3.960 -0.000 0.000 0.278 218 G HA3 0.398 4.358 3.960 -0.000 0.000 0.278 218 G C -2.365 172.604 174.900 0.114 0.000 1.307 218 G CA -0.528 44.627 45.100 0.092 0.000 1.016 218 G HN -0.117 nan 8.290 nan 0.000 0.503 219 P HA 0.331 nan 4.420 nan 0.000 0.281 219 P C 0.030 177.389 177.300 0.098 0.000 1.281 219 P CA -0.319 62.830 63.100 0.081 0.000 0.811 219 P CB 1.231 32.975 31.700 0.074 0.000 1.154 220 T N -3.211 111.416 114.554 0.122 0.000 2.897 220 T HA 0.587 4.937 4.350 -0.000 0.000 0.278 220 T C -2.368 172.412 174.700 0.134 0.000 0.981 220 T CA -1.900 60.299 62.100 0.164 0.000 0.973 220 T CB -0.151 68.919 68.868 0.336 0.000 1.092 220 T HN 0.195 nan 8.240 nan 0.000 0.543 221 P HA 0.283 nan 4.420 nan 0.000 0.275 221 P C -0.472 176.901 177.300 0.122 0.000 1.266 221 P CA -0.613 62.528 63.100 0.068 0.000 0.793 221 P CB 0.246 31.907 31.700 -0.065 0.000 1.074 222 S N 0.129 115.931 115.700 0.169 0.000 2.465 222 S HA 0.259 4.729 4.470 -0.000 0.000 0.280 222 S C -0.428 174.253 174.600 0.136 0.000 1.232 222 S CA -0.406 57.890 58.200 0.161 0.000 1.066 222 S CB -0.898 62.383 63.200 0.135 0.000 0.929 222 S HN 0.158 nan 8.310 nan 0.000 0.494 223 V N 5.840 125.750 119.914 -0.007 0.000 2.495 223 V HA 0.305 4.425 4.120 -0.000 0.000 0.298 223 V C 0.441 176.428 176.094 -0.179 0.000 1.031 223 V CA -0.711 61.429 62.300 -0.266 0.000 0.871 223 V CB 1.905 33.040 31.823 -1.145 0.000 0.988 223 V HN 0.807 nan 8.190 nan 0.000 0.432 224 D N 1.842 122.179 120.400 -0.105 0.000 2.123 224 D HA -0.012 4.628 4.640 -0.000 0.000 0.200 224 D C 0.460 176.739 176.300 -0.035 0.000 0.976 224 D CA 1.432 55.410 54.000 -0.036 0.000 0.831 224 D CB 0.349 41.136 40.800 -0.020 0.000 0.974 224 D HN 0.638 nan 8.370 nan 0.000 0.469 225 D N -1.312 119.024 120.400 -0.108 0.000 2.476 225 D HA 0.095 4.735 4.640 -0.000 0.000 0.251 225 D C -0.164 176.077 176.300 -0.097 0.000 1.291 225 D CA -0.628 53.352 54.000 -0.034 0.000 0.939 225 D CB 0.221 41.020 40.800 -0.001 0.000 1.221 225 D HN -0.108 nan 8.370 nan 0.000 0.567 226 W N 3.383 124.709 121.300 0.044 0.000 2.595 226 W HA 0.253 4.913 4.660 -0.000 0.000 0.257 226 W C 1.418 177.963 176.519 0.043 0.000 1.267 226 W CA 1.005 58.373 57.345 0.040 0.000 1.300 226 W CB 0.245 29.721 29.460 0.026 0.000 1.120 226 W HN 0.706 nan 8.180 nan 0.000 0.618 227 G N 1.065 109.990 108.800 0.208 0.000 2.719 227 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.686 227 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.686 227 G C -0.941 174.037 174.900 0.130 0.000 1.201 227 G CA -1.037 44.146 45.100 0.139 0.000 0.768 227 G HN -0.112 nan 8.290 nan 0.000 0.629 228 D N -0.354 120.099 120.400 0.089 0.000 2.313 228 D HA 0.418 5.058 4.640 -0.000 0.000 0.247 228 D C 0.990 177.326 176.300 0.060 0.000 1.094 228 D CA -0.251 53.788 54.000 0.065 0.000 0.925 228 D CB 1.633 42.459 40.800 0.044 0.000 1.188 228 D HN 0.439 nan 8.370 nan 0.000 0.430 229 V N 4.269 124.205 119.914 0.037 0.000 2.485 229 V HA 0.108 4.228 4.120 -0.000 0.000 0.287 229 V C -1.626 174.478 176.094 0.016 0.000 1.022 229 V CA -0.922 61.391 62.300 0.021 0.000 1.067 229 V CB 0.100 31.916 31.823 -0.013 0.000 0.967 229 V HN 0.457 nan 8.190 nan 0.000 0.479 230 P HA 0.218 nan 4.420 nan 0.000 0.274 230 P C -0.093 177.195 177.300 -0.020 0.000 1.231 230 P CA -0.186 62.915 63.100 0.002 0.000 0.790 230 P CB 0.650 32.350 31.700 -0.000 0.000 0.951 231 T N -1.147 113.390 114.554 -0.028 0.000 2.899 231 T HA 0.273 4.623 4.350 -0.000 0.000 0.284 231 T C 1.582 176.245 174.700 -0.061 0.000 1.004 231 T CA -0.803 61.277 62.100 -0.032 0.000 1.043 231 T CB 0.342 69.198 68.868 -0.020 0.000 1.013 231 T HN 0.213 nan 8.240 nan 0.000 0.518 232 L N 0.584 121.777 121.223 -0.051 0.000 2.083 232 L HA -0.101 4.239 4.340 -0.000 0.000 0.209 232 L C 2.943 179.769 176.870 -0.072 0.000 1.083 232 L CA 1.592 56.388 54.840 -0.073 0.000 0.752 232 L CB -0.647 41.404 42.059 -0.014 0.000 0.899 232 L HN 0.825 nan 8.230 nan 0.000 0.433 233 E N 0.353 120.531 120.200 -0.037 0.000 2.085 233 E HA -0.245 4.105 4.350 -0.000 0.000 0.194 233 E C 2.162 178.741 176.600 -0.035 0.000 0.994 233 E CA 1.278 57.664 56.400 -0.023 0.000 0.801 233 E CB -0.020 29.675 29.700 -0.008 0.000 0.743 233 E HN 0.431 nan 8.360 nan 0.000 0.453 234 K N 0.485 120.858 120.400 -0.046 0.000 2.103 234 K HA -0.125 4.195 4.320 -0.000 0.000 0.207 234 K C 1.862 178.416 176.600 -0.076 0.000 1.048 234 K CA 0.962 57.221 56.287 -0.047 0.000 0.930 234 K CB -0.106 32.368 32.500 -0.044 0.000 0.716 234 K HN 0.145 nan 8.250 nan 0.000 0.444 235 L N -0.088 121.046 121.223 -0.149 0.000 2.599 235 L HA 0.087 4.427 4.340 -0.000 0.000 0.230 235 L C 0.979 177.761 176.870 -0.146 0.000 1.141 235 L CA 0.304 54.991 54.840 -0.254 0.000 0.877 235 L CB -0.214 41.471 42.059 -0.624 0.000 1.009 235 L HN 0.455 nan 8.230 nan 0.000 0.447 236 G N 0.281 109.046 108.800 -0.059 0.000 2.137 236 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.237 236 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.237 236 G C -0.039 174.883 174.900 0.037 0.000 1.002 236 G CA 0.020 45.126 45.100 0.009 0.000 0.702 236 G HN 0.132 nan 8.290 nan 0.000 0.515 237 V N 0.181 120.102 119.914 0.011 0.000 2.448 237 V HA 0.573 4.693 4.120 -0.000 0.000 0.295 237 V C 0.308 176.427 176.094 0.042 0.000 1.025 237 V CA -0.997 61.337 62.300 0.058 0.000 0.859 237 V CB 1.842 33.717 31.823 0.087 0.000 0.988 237 V HN 0.383 nan 8.190 nan 0.000 0.431 238 E N 7.019 127.253 120.200 0.057 0.000 2.299 238 E HA 0.297 4.647 4.350 -0.000 0.000 0.272 238 E C -2.472 174.157 176.600 0.048 0.000 1.043 238 E CA -1.499 54.929 56.400 0.047 0.000 0.895 238 E CB 0.870 30.601 29.700 0.051 0.000 1.011 238 E HN 0.417 nan 8.360 nan 0.000 0.432 239 P HA 0.024 nan 4.420 nan 0.000 0.268 239 P C -1.250 176.076 177.300 0.043 0.000 1.205 239 P CA 0.099 63.222 63.100 0.039 0.000 0.771 239 P CB 0.520 32.236 31.700 0.028 0.000 0.858 240 Q N 1.724 121.552 119.800 0.047 0.000 2.347 240 Q HA 0.285 4.625 4.340 -0.000 0.000 0.271 240 Q C -1.032 174.996 176.000 0.047 0.000 1.064 240 Q CA -0.687 55.144 55.803 0.046 0.000 0.800 240 Q CB 1.602 30.369 28.738 0.049 0.000 1.304 240 Q HN 0.337 nan 8.270 nan 0.000 0.438 241 E N 1.686 121.912 120.200 0.043 0.000 2.235 241 E HA 0.333 4.683 4.350 -0.000 0.000 0.265 241 E C -0.824 175.806 176.600 0.050 0.000 0.940 241 E CA -0.782 55.645 56.400 0.044 0.000 0.819 241 E CB 2.044 31.764 29.700 0.033 0.000 1.206 241 E HN 0.433 nan 8.360 nan 0.000 0.409 242 V N 2.216 122.164 119.914 0.057 0.000 2.470 242 V HA 0.021 4.141 4.120 -0.000 0.000 0.276 242 V C 1.496 177.613 176.094 0.039 0.000 1.040 242 V CA 0.550 62.892 62.300 0.070 0.000 1.008 242 V CB 0.462 32.339 31.823 0.090 0.000 0.990 242 V HN 0.856 nan 8.190 nan 0.000 0.477 243 T N 2.337 116.923 114.554 0.053 0.000 3.037 243 T HA 0.223 4.573 4.350 -0.000 0.000 0.252 243 T C 0.696 175.383 174.700 -0.021 0.000 1.073 243 T CA 0.075 62.185 62.100 0.017 0.000 1.091 243 T CB 0.418 69.307 68.868 0.034 0.000 0.935 243 T HN 0.517 nan 8.240 nan 0.000 0.488 244 R N -0.634 119.885 120.500 0.031 0.000 2.692 244 R HA 0.504 4.844 4.340 -0.000 0.000 0.269 244 R C 0.124 176.497 176.300 0.121 0.000 1.030 244 R CA 0.250 56.322 56.100 -0.048 0.000 0.882 244 R CB 1.226 31.415 30.300 -0.185 0.000 1.250 244 R HN 0.392 nan 8.270 nan 0.000 0.465 245 G N 2.206 111.045 108.800 0.065 0.000 2.525 245 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.248 245 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.248 245 G C -0.502 174.502 174.900 0.173 0.000 1.238 245 G CA -0.002 45.263 45.100 0.274 0.000 0.926 245 G HN 0.522 nan 8.290 nan 0.000 0.574 246 M N 1.222 120.983 119.600 0.269 0.000 2.162 246 M HA 0.344 4.824 4.480 -0.000 0.000 0.356 246 M C 0.787 177.121 176.300 0.057 0.000 1.303 246 M CA -0.201 55.142 55.300 0.073 0.000 1.116 246 M CB 1.069 33.618 32.600 -0.085 0.000 1.632 246 M HN 0.481 nan 8.290 nan 0.000 0.469 247 R N 4.744 125.226 120.500 -0.030 0.000 2.272 247 R HA 0.330 4.670 4.340 -0.000 0.000 0.323 247 R C -1.687 174.625 176.300 0.021 0.000 1.002 247 R CA -0.272 55.858 56.100 0.050 0.000 0.900 247 R CB 0.234 30.556 30.300 0.037 0.000 1.151 247 R HN 0.519 nan 8.270 nan 0.000 0.507 248 F N 2.910 122.899 119.950 0.065 0.000 2.495 248 F HA 0.135 4.662 4.527 -0.000 0.000 0.365 248 F C 0.681 176.643 175.800 0.270 0.000 1.090 248 F CA -0.144 57.921 58.000 0.109 0.000 1.235 248 F CB 1.119 40.014 39.000 -0.175 0.000 1.119 248 F HN 0.056 nan 8.300 nan 0.000 0.562 249 V N 3.528 123.747 119.914 0.510 0.000 2.394 249 V HA 0.468 4.588 4.120 -0.000 0.000 0.282 249 V C 0.648 176.879 176.094 0.229 0.000 1.031 249 V CA -0.914 61.579 62.300 0.321 0.000 0.881 249 V CB 1.019 32.996 31.823 0.257 0.000 0.982 249 V HN 0.909 nan 8.190 nan 0.000 0.451 250 G N 2.692 111.279 108.800 -0.355 0.000 2.527 250 G HA2 0.580 4.540 3.960 -0.000 0.000 0.248 250 G HA3 0.580 4.540 3.960 -0.000 0.000 0.248 250 G C 0.256 174.976 174.900 -0.300 0.000 1.231 250 G CA 0.434 44.909 45.100 -1.041 0.000 0.838 250 G HN 1.588 nan 8.290 nan 0.000 0.570 251 G N -0.060 108.624 108.800 -0.193 0.000 2.539 251 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.686 251 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.686 251 G C 0.458 175.416 174.900 0.098 0.000 1.258 251 G CA 0.399 45.473 45.100 -0.044 0.000 0.846 251 G HN 0.844 nan 8.290 nan 0.000 0.647 252 E N -0.054 120.158 120.200 0.021 0.000 2.085 252 E HA -0.134 4.216 4.350 -0.000 0.000 0.194 252 E C 2.441 179.010 176.600 -0.053 0.000 0.994 252 E CA 2.033 58.429 56.400 -0.007 0.000 0.801 252 E CB -0.166 29.528 29.700 -0.011 0.000 0.743 252 E HN 0.478 nan 8.360 nan 0.000 0.453 253 S N 0.518 116.205 115.700 -0.023 0.000 2.356 253 S HA -0.168 4.302 4.470 -0.000 0.000 0.223 253 S C 2.087 176.595 174.600 -0.153 0.000 1.032 253 S CA 1.105 59.258 58.200 -0.077 0.000 1.005 253 S CB -0.322 62.843 63.200 -0.058 0.000 0.867 253 S HN 0.506 nan 8.310 nan 0.000 0.449 254 A N 1.470 124.218 122.820 -0.120 0.000 1.930 254 A HA 0.110 4.430 4.320 -0.000 0.000 0.217 254 A C 2.296 179.523 177.584 -0.594 0.000 1.175 254 A CA 1.678 53.621 52.037 -0.157 0.000 0.627 254 A CB -1.351 17.726 19.000 0.128 0.000 0.815 254 A HN 0.516 nan 8.150 nan 0.000 0.443 255 G N -0.030 108.236 108.800 -0.891 0.000 2.414 255 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.215 255 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.215 255 G C 1.642 176.129 174.900 -0.688 0.000 1.188 255 G CA 1.947 46.185 45.100 -1.437 0.000 0.783 255 G HN 1.006 nan 8.290 nan 0.000 0.537 256 V N -0.266 119.418 119.914 -0.384 0.000 2.594 256 V HA 0.072 4.192 4.120 -0.000 0.000 0.253 256 V C 2.667 178.696 176.094 -0.107 0.000 1.069 256 V CA 2.005 64.191 62.300 -0.189 0.000 1.082 256 V CB -1.169 30.523 31.823 -0.218 0.000 0.680 256 V HN 0.291 nan 8.190 nan 0.000 0.469 257 G N 0.474 109.165 108.800 -0.181 0.000 2.422 257 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.218 257 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.218 257 G C 1.687 176.592 174.900 0.009 0.000 1.146 257 G CA 0.972 46.034 45.100 -0.063 0.000 0.769 257 G HN 0.549 nan 8.290 nan 0.000 0.547 258 R N 0.361 120.743 120.500 -0.195 0.000 2.090 258 R HA 0.055 4.395 4.340 -0.000 0.000 0.228 258 R C 2.559 178.912 176.300 0.088 0.000 1.110 258 R CA 1.310 57.354 56.100 -0.092 0.000 0.973 258 R CB -0.920 29.188 30.300 -0.320 0.000 0.869 258 R HN 0.205 nan 8.270 nan 0.000 0.440 259 V N 0.950 120.813 119.914 -0.085 0.000 2.287 259 V HA -0.229 3.891 4.120 -0.000 0.000 0.248 259 V C 2.086 178.211 176.094 0.051 0.000 1.053 259 V CA 2.072 64.244 62.300 -0.212 0.000 1.027 259 V CB -0.786 30.784 31.823 -0.421 0.000 0.646 259 V HN 0.335 nan 8.190 nan 0.000 0.447 260 F N 1.177 121.192 119.950 0.109 0.000 2.095 260 F HA -0.208 4.319 4.527 -0.000 0.000 0.298 260 F C 2.484 178.450 175.800 0.277 0.000 1.104 260 F CA 2.371 60.546 58.000 0.293 0.000 1.232 260 F CB -0.335 38.756 39.000 0.151 0.000 0.987 260 F HN 0.237 nan 8.300 nan 0.000 0.475 261 E N -1.100 119.154 120.200 0.090 0.000 2.038 261 E HA -0.317 4.033 4.350 -0.000 0.000 0.195 261 E C 2.281 178.884 176.600 0.005 0.000 1.000 261 E CA 1.723 58.114 56.400 -0.015 0.000 0.803 261 E CB -0.656 29.111 29.700 0.112 0.000 0.750 261 E HN 0.583 nan 8.360 nan 0.000 0.448 262 Y N -0.205 120.095 120.300 0.001 0.000 2.163 262 Y HA -0.185 4.365 4.550 -0.000 0.000 0.288 262 Y C 1.864 177.817 175.900 0.088 0.000 1.136 262 Y CA 1.571 59.689 58.100 0.031 0.000 1.147 262 Y CB -0.271 38.211 38.460 0.038 0.000 0.987 262 Y HN 0.088 nan 8.280 nan 0.000 0.509 263 F N -1.656 118.147 119.950 -0.245 0.000 2.074 263 F HA -0.117 4.410 4.527 0.000 0.000 0.293 263 F C 1.820 177.240 175.800 -0.634 0.000 1.116 263 F CA 1.169 58.775 58.000 -0.657 0.000 1.212 263 F CB -1.467 37.049 39.000 -0.807 0.000 0.998 263 F HN 0.125 nan 8.300 nan 0.000 0.471 264 W N -0.144 121.165 121.300 0.015 0.000 2.726 264 W HA 0.145 4.805 4.660 -0.000 0.000 0.285 264 W C 2.481 178.826 176.519 -0.291 0.000 1.110 264 W CA 0.248 57.528 57.345 -0.109 0.000 1.579 264 W CB -0.818 28.552 29.460 -0.151 0.000 1.118 264 W HN -0.256 nan 8.180 nan 0.000 0.556 265 K N 1.190 121.351 120.400 -0.399 0.000 2.026 265 K HA -0.162 4.158 4.320 -0.000 0.000 0.208 265 K C 1.560 178.091 176.600 -0.115 0.000 1.048 265 K CA 1.588 57.693 56.287 -0.303 0.000 0.929 265 K CB -0.136 32.134 32.500 -0.383 0.000 0.713 265 K HN 0.021 nan 8.250 nan 0.000 0.439 266 K N -0.055 120.271 120.400 -0.123 0.000 2.379 266 K HA -0.035 4.285 4.320 -0.000 0.000 0.194 266 K C -0.124 176.407 176.600 -0.114 0.000 1.031 266 K CA 0.493 56.725 56.287 -0.092 0.000 1.037 266 K CB 0.358 32.811 32.500 -0.078 0.000 0.824 266 K HN 0.169 nan 8.250 nan 0.000 0.516 267 D N 0.700 121.023 120.400 -0.128 0.000 2.723 267 D HA -0.179 4.460 4.640 -0.000 0.000 0.236 267 D C 0.093 176.282 176.300 -0.186 0.000 1.138 267 D CA 0.429 54.374 54.000 -0.092 0.000 0.676 267 D CB -1.146 39.642 40.800 -0.021 0.000 1.069 267 D HN 0.219 nan 8.370 nan 0.000 0.430 268 L N -0.515 120.456 121.223 -0.420 0.000 2.477 268 L HA 0.084 4.424 4.340 -0.000 0.000 0.220 268 L C 2.302 178.807 176.870 -0.608 0.000 1.106 268 L CA -0.179 54.353 54.840 -0.512 0.000 0.851 268 L CB -0.145 41.523 42.059 -0.651 0.000 0.994 268 L HN 0.221 nan 8.230 nan 0.000 0.462 269 L N 1.388 122.117 121.223 -0.824 0.000 2.079 269 L HA -0.233 4.107 4.340 -0.000 0.000 0.210 269 L C 2.580 179.230 176.870 -0.368 0.000 1.081 269 L CA 1.895 56.280 54.840 -0.760 0.000 0.752 269 L CB -0.555 40.555 42.059 -1.582 0.000 0.896 269 L HN 0.317 nan 8.230 nan 0.000 0.433 270 K N -0.731 119.543 120.400 -0.211 0.000 2.442 270 K HA -0.067 4.253 4.320 -0.000 0.000 0.198 270 K C 1.039 177.644 176.600 0.007 0.000 1.044 270 K CA 1.494 57.785 56.287 0.007 0.000 0.948 270 K CB -0.483 32.079 32.500 0.104 0.000 0.762 270 K HN 0.409 nan 8.250 nan 0.000 0.472 271 V N -3.183 116.725 119.914 -0.010 0.000 3.253 271 V HA 0.122 4.242 4.120 -0.000 0.000 0.320 271 V C 1.621 177.751 176.094 0.059 0.000 1.442 271 V CA -0.698 61.611 62.300 0.015 0.000 1.097 271 V CB -0.952 30.869 31.823 -0.004 0.000 1.008 271 V HN 0.223 nan 8.190 nan 0.000 0.463 272 Y N 2.425 122.732 120.300 0.012 0.000 2.102 272 Y HA -0.272 4.278 4.550 -0.000 0.000 0.280 272 Y C 2.420 178.361 175.900 0.068 0.000 1.178 272 Y CA 2.715 60.877 58.100 0.103 0.000 1.146 272 Y CB -0.046 38.501 38.460 0.146 0.000 0.968 272 Y HN 0.343 nan 8.280 nan 0.000 0.504 273 K N -0.099 120.197 120.400 -0.173 0.000 2.147 273 K HA -0.172 4.148 4.320 -0.000 0.000 0.205 273 K C 1.925 178.330 176.600 -0.325 0.000 1.049 273 K CA 1.488 57.544 56.287 -0.384 0.000 0.936 273 K CB -0.051 32.269 32.500 -0.301 0.000 0.722 273 K HN 0.383 nan 8.250 nan 0.000 0.446 274 E N -0.281 119.811 120.200 -0.180 0.000 2.110 274 E HA -0.142 4.208 4.350 -0.000 0.000 0.193 274 E C 1.867 178.407 176.600 -0.099 0.000 0.988 274 E CA 1.845 58.172 56.400 -0.121 0.000 0.804 274 E CB -0.038 29.624 29.700 -0.063 0.000 0.745 274 E HN 0.540 nan 8.360 nan 0.000 0.458 275 T N -1.640 112.857 114.554 -0.093 0.000 3.001 275 T HA 0.074 4.424 4.350 -0.000 0.000 0.251 275 T C 1.687 176.388 174.700 0.001 0.000 1.040 275 T CA -0.104 61.992 62.100 -0.007 0.000 0.985 275 T CB -0.053 68.867 68.868 0.088 0.000 1.011 275 T HN 0.160 nan 8.240 nan 0.000 0.509 276 R N 1.720 122.113 120.500 -0.178 0.000 2.293 276 R HA 0.058 4.398 4.340 -0.000 0.000 0.219 276 R C 0.934 177.201 176.300 -0.056 0.000 1.091 276 R CA 1.567 57.578 56.100 -0.147 0.000 1.004 276 R CB -0.962 28.995 30.300 -0.571 0.000 0.865 276 R HN 0.420 nan 8.270 nan 0.000 0.469 277 N N 0.540 119.153 118.700 -0.145 0.000 2.322 277 N HA 0.091 4.831 4.740 -0.000 0.000 0.194 277 N C 0.385 175.690 175.510 -0.342 0.000 1.126 277 N CA 0.197 53.079 53.050 -0.280 0.000 0.845 277 N CB 0.893 39.170 38.487 -0.350 0.000 0.976 277 N HN 0.343 nan 8.380 nan 0.000 0.475 278 G N -0.165 108.423 108.800 -0.353 0.000 2.651 278 G HA2 0.257 4.217 3.960 -0.000 0.000 0.260 278 G HA3 0.257 4.217 3.960 -0.000 0.000 0.260 278 G C 0.470 174.690 174.900 -1.134 0.000 1.216 278 G CA -0.244 44.501 45.100 -0.590 0.000 0.913 278 G HN 0.113 nan 8.290 nan 0.000 0.535 279 M N -1.054 118.008 119.600 -0.897 0.000 2.188 279 M HA 0.257 4.737 4.480 -0.000 0.000 0.310 279 M C -0.241 175.902 176.300 -0.262 0.000 0.993 279 M CA -0.084 54.746 55.300 -0.785 0.000 1.127 279 M CB 0.765 32.730 32.600 -1.058 0.000 1.927 279 M HN 0.273 nan 8.290 nan 0.000 0.655 280 L N 1.515 122.702 121.223 -0.061 0.000 2.296 280 L HA 0.800 5.140 4.340 -0.000 0.000 0.286 280 L C 0.128 177.115 176.870 0.194 0.000 1.023 280 L CA 0.395 55.354 54.840 0.198 0.000 0.812 280 L CB 1.071 43.220 42.059 0.150 0.000 1.223 280 L HN 0.349 nan 8.230 nan 0.000 0.421 281 G N 4.861 113.759 108.800 0.164 0.000 2.699 281 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.686 281 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.686 281 G C -2.437 172.485 174.900 0.037 0.000 1.301 281 G CA -0.318 44.781 45.100 -0.002 0.000 0.816 281 G HN 0.522 nan 8.290 nan 0.000 0.595 282 P HA 0.058 nan 4.420 nan 0.000 0.222 282 P C 0.922 178.092 177.300 -0.216 0.000 1.153 282 P CA 1.426 64.392 63.100 -0.223 0.000 0.798 282 P CB 0.156 31.731 31.700 -0.209 0.000 0.796 283 D N -0.238 120.116 120.400 -0.077 0.000 2.218 283 D HA -0.165 4.475 4.640 -0.000 0.000 0.204 283 D C 1.859 178.214 176.300 0.093 0.000 0.976 283 D CA 1.007 55.032 54.000 0.041 0.000 0.853 283 D CB -1.004 39.828 40.800 0.054 0.000 0.939 283 D HN 0.393 nan 8.370 nan 0.000 0.481 284 Y N 0.291 120.630 120.300 0.066 0.000 2.497 284 Y HA 0.080 4.630 4.550 -0.000 0.000 0.292 284 Y C 0.646 176.603 175.900 0.095 0.000 1.137 284 Y CA 0.489 58.629 58.100 0.068 0.000 1.285 284 Y CB -0.305 38.167 38.460 0.020 0.000 0.991 284 Y HN -0.073 nan 8.280 nan 0.000 0.556 285 S N -1.815 113.644 115.700 -0.402 0.000 2.688 285 S HA 0.281 4.751 4.470 -0.000 0.000 0.275 285 S C 0.785 174.852 174.600 -0.888 0.000 1.175 285 S CA -0.282 57.748 58.200 -0.283 0.000 0.818 285 S CB 0.966 64.088 63.200 -0.131 0.000 1.157 285 S HN 0.346 nan 8.310 nan 0.000 0.482 286 T N -1.341 112.618 114.554 -0.992 0.000 2.788 286 T HA -0.005 4.345 4.350 -0.000 0.000 0.268 286 T C 0.521 174.654 174.700 -0.944 0.000 1.044 286 T CA 1.346 62.463 62.100 -1.639 0.000 1.139 286 T CB -0.886 66.781 68.868 -2.002 0.000 0.867 286 T HN 0.812 nan 8.240 nan 0.000 0.454 287 K N 0.260 120.403 120.400 -0.429 0.000 3.088 287 K HA -0.154 4.166 4.320 -0.000 0.000 0.273 287 K C 0.336 177.185 176.600 0.414 0.000 1.111 287 K CA 0.689 56.974 56.287 -0.004 0.000 0.803 287 K CB -2.487 30.002 32.500 -0.019 0.000 1.226 287 K HN 0.474 nan 8.250 nan 0.000 0.485 288 F N 0.664 120.742 119.950 0.213 0.000 2.558 288 F HA -0.069 4.458 4.527 -0.000 0.000 0.298 288 F C 2.576 178.574 175.800 0.329 0.000 1.119 288 F CA 0.959 59.159 58.000 0.333 0.000 1.451 288 F CB -0.807 38.288 39.000 0.158 0.000 1.091 288 F HN 0.223 nan 8.300 nan 0.000 0.563 289 S N 0.589 116.503 115.700 0.355 0.000 2.370 289 S HA -0.143 4.326 4.470 -0.000 0.000 0.226 289 S C -0.413 174.214 174.600 0.044 0.000 1.033 289 S CA 1.026 59.337 58.200 0.184 0.000 1.011 289 S CB -1.860 61.416 63.200 0.127 0.000 0.852 289 S HN 0.183 nan 8.310 nan 0.000 0.457 290 P HA -0.047 nan 4.420 nan 0.000 0.217 290 P C 1.252 178.510 177.300 -0.071 0.000 1.150 290 P CA 1.015 63.840 63.100 -0.457 0.000 0.832 290 P CB -0.237 30.680 31.700 -1.304 0.000 0.787 291 W N -0.837 120.624 121.300 0.269 0.000 2.436 291 W HA 0.062 4.722 4.660 -0.000 0.000 0.284 291 W C 1.998 178.638 176.519 0.202 0.000 1.225 291 W CA 0.621 58.151 57.345 0.307 0.000 1.271 291 W CB -1.083 28.514 29.460 0.228 0.000 1.114 291 W HN -0.021 nan 8.180 nan 0.000 0.559 292 L N 0.278 121.709 121.223 0.347 0.000 2.056 292 L HA -0.159 4.181 4.340 -0.000 0.000 0.207 292 L C 2.731 179.663 176.870 0.104 0.000 1.078 292 L CA 1.451 56.408 54.840 0.195 0.000 0.749 292 L CB -1.080 41.084 42.059 0.174 0.000 0.901 292 L HN -0.178 nan 8.230 nan 0.000 0.433 293 A N -0.422 122.439 122.820 0.068 0.000 1.933 293 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 293 A C 1.876 179.367 177.584 -0.155 0.000 1.175 293 A CA 1.480 53.463 52.037 -0.089 0.000 0.628 293 A CB -0.696 18.203 19.000 -0.167 0.000 0.814 293 A HN 0.369 nan 8.150 nan 0.000 0.444 294 F N -0.570 119.417 119.950 0.063 0.000 2.797 294 F HA 0.312 4.839 4.527 -0.000 0.000 0.302 294 F C 1.840 177.684 175.800 0.072 0.000 1.130 294 F CA 0.672 58.726 58.000 0.090 0.000 1.387 294 F CB 0.054 39.152 39.000 0.164 0.000 1.107 294 F HN 0.368 nan 8.300 nan 0.000 0.577 295 G N -0.608 108.301 108.800 0.181 0.000 2.179 295 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.257 295 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.257 295 G C 1.058 176.038 174.900 0.134 0.000 1.010 295 G CA 0.375 45.532 45.100 0.096 0.000 0.736 295 G HN 0.442 nan 8.290 nan 0.000 0.513 296 C N -0.270 119.168 119.300 0.230 0.000 2.419 296 C HA 0.339 4.799 4.460 -0.000 0.000 0.281 296 C C 1.540 176.582 174.990 0.086 0.000 1.336 296 C CA 1.125 60.259 59.018 0.195 0.000 1.770 296 C CB -1.317 26.654 27.740 0.386 0.000 1.929 296 C HN 0.755 nan 8.230 nan 0.000 0.509 297 I N -1.790 118.843 120.570 0.105 0.000 3.042 297 I HA 0.664 4.834 4.170 -0.000 0.000 0.310 297 I C -0.417 175.726 176.117 0.043 0.000 1.117 297 I CA -0.402 60.902 61.300 0.007 0.000 1.003 297 I CB 2.082 40.076 38.000 -0.010 0.000 1.228 297 I HN 0.020 nan 8.210 nan 0.000 0.443 298 S N 1.744 117.475 115.700 0.053 0.000 2.532 298 S HA 0.633 5.103 4.470 -0.000 0.000 0.301 298 S C -2.182 172.489 174.600 0.118 0.000 1.083 298 S CA -1.390 56.845 58.200 0.060 0.000 1.025 298 S CB 1.918 65.135 63.200 0.029 0.000 1.056 298 S HN 0.613 nan 8.310 nan 0.000 0.494 299 P HA -0.058 nan 4.420 nan 0.000 0.220 299 P C 1.229 178.609 177.300 0.133 0.000 1.148 299 P CA 0.922 64.088 63.100 0.111 0.000 0.803 299 P CB 0.057 31.809 31.700 0.086 0.000 0.782 300 R N -1.346 119.230 120.500 0.127 0.000 2.081 300 R HA -0.117 4.223 4.340 -0.000 0.000 0.235 300 R C 2.322 178.761 176.300 0.233 0.000 1.131 300 R CA 1.242 57.441 56.100 0.164 0.000 0.960 300 R CB -1.039 29.342 30.300 0.134 0.000 0.856 300 R HN 0.182 nan 8.270 nan 0.000 0.436 301 F N 1.734 121.702 119.950 0.031 0.000 2.095 301 F HA -0.175 4.352 4.527 -0.000 0.000 0.298 301 F C 1.952 177.796 175.800 0.073 0.000 1.104 301 F CA 1.368 59.355 58.000 -0.021 0.000 1.232 301 F CB -0.316 38.581 39.000 -0.173 0.000 0.987 301 F HN -0.125 nan 8.300 nan 0.000 0.475 302 I N -0.796 119.714 120.570 -0.100 0.000 2.208 302 I HA -0.333 3.837 4.170 -0.000 0.000 0.245 302 I C 2.337 178.504 176.117 0.084 0.000 1.097 302 I CA 1.781 62.999 61.300 -0.136 0.000 1.363 302 I CB -0.795 37.226 38.000 0.035 0.000 1.051 302 I HN 0.265 nan 8.210 nan 0.000 0.413 303 Y N 1.930 122.250 120.300 0.033 0.000 2.145 303 Y HA -0.275 4.275 4.550 -0.000 0.000 0.286 303 Y C 2.434 178.382 175.900 0.080 0.000 1.145 303 Y CA 1.763 59.899 58.100 0.060 0.000 1.148 303 Y CB -0.334 38.141 38.460 0.025 0.000 0.981 303 Y HN 0.164 nan 8.280 nan 0.000 0.507 304 E N -0.281 119.940 120.200 0.035 0.000 2.118 304 E HA -0.217 4.133 4.350 -0.000 0.000 0.195 304 E C 2.058 178.675 176.600 0.028 0.000 0.992 304 E CA 1.290 57.694 56.400 0.007 0.000 0.804 304 E CB -0.062 29.767 29.700 0.215 0.000 0.741 304 E HN 0.548 nan 8.360 nan 0.000 0.458 305 E N 0.304 120.519 120.200 0.026 0.000 2.072 305 E HA -0.123 4.227 4.350 -0.000 0.000 0.191 305 E C 2.340 179.123 176.600 0.306 0.000 0.985 305 E CA 0.611 57.153 56.400 0.237 0.000 0.801 305 E CB -0.156 29.620 29.700 0.126 0.000 0.750 305 E HN 0.132 nan 8.360 nan 0.000 0.452 306 V N 2.064 122.070 119.914 0.153 0.000 2.295 306 V HA -0.260 3.860 4.120 -0.000 0.000 0.246 306 V C 2.465 178.529 176.094 -0.051 0.000 1.049 306 V CA 1.602 63.864 62.300 -0.063 0.000 1.024 306 V CB -0.473 31.312 31.823 -0.064 0.000 0.648 306 V HN 0.206 nan 8.190 nan 0.000 0.447 307 Q N -0.205 119.504 119.800 -0.151 0.000 2.084 307 Q HA -0.218 4.122 4.340 -0.000 0.000 0.202 307 Q C 2.344 178.360 176.000 0.027 0.000 0.978 307 Q CA 1.754 57.476 55.803 -0.135 0.000 0.844 307 Q CB -0.478 28.085 28.738 -0.292 0.000 0.898 307 Q HN 0.607 nan 8.270 nan 0.000 0.426 308 R N -0.387 120.189 120.500 0.126 0.000 2.081 308 R HA -0.183 4.157 4.340 -0.000 0.000 0.235 308 R C 2.215 178.734 176.300 0.365 0.000 1.131 308 R CA 1.211 57.460 56.100 0.248 0.000 0.960 308 R CB -0.360 30.140 30.300 0.333 0.000 0.856 308 R HN 0.234 nan 8.270 nan 0.000 0.436 309 Y N 1.512 121.927 120.300 0.191 0.000 2.165 309 Y HA -0.219 4.331 4.550 -0.000 0.000 0.286 309 Y C 1.863 177.706 175.900 -0.095 0.000 1.155 309 Y CA 2.083 60.100 58.100 -0.138 0.000 1.164 309 Y CB 0.048 38.139 38.460 -0.616 0.000 0.978 309 Y HN 0.195 nan 8.280 nan 0.000 0.513 310 E N 0.101 120.361 120.200 0.101 0.000 2.153 310 E HA -0.241 4.109 4.350 -0.000 0.000 0.194 310 E C 2.017 178.612 176.600 -0.009 0.000 0.988 310 E CA 1.592 58.018 56.400 0.043 0.000 0.811 310 E CB -0.140 29.593 29.700 0.056 0.000 0.746 310 E HN 0.635 nan 8.360 nan 0.000 0.466 311 K N 0.512 120.920 120.400 0.012 0.000 2.284 311 K HA -0.002 4.318 4.320 -0.000 0.000 0.198 311 K C 1.462 178.057 176.600 -0.008 0.000 1.048 311 K CA 0.771 57.062 56.287 0.007 0.000 0.987 311 K CB 0.244 32.758 32.500 0.024 0.000 0.800 311 K HN -0.010 nan 8.250 nan 0.000 0.486 312 E N -0.031 120.170 120.200 0.001 0.000 2.340 312 E HA 0.075 4.425 4.350 -0.000 0.000 0.194 312 E C 1.651 178.192 176.600 -0.098 0.000 0.996 312 E CA 0.133 56.536 56.400 0.005 0.000 0.869 312 E CB 0.519 30.298 29.700 0.133 0.000 0.835 312 E HN 0.224 nan 8.360 nan 0.000 0.493 313 R N -0.277 120.056 120.500 -0.279 0.000 2.502 313 R HA 0.343 4.683 4.340 -0.000 0.000 0.174 313 R C 0.146 176.266 176.300 -0.299 0.000 1.201 313 R CA 0.307 56.154 56.100 -0.421 0.000 1.151 313 R CB 0.804 30.497 30.300 -1.010 0.000 1.202 313 R HN 0.002 nan 8.270 nan 0.000 0.509 314 V N 0.112 119.840 119.914 -0.310 0.000 3.106 314 V HA 0.585 4.705 4.120 -0.000 0.000 0.280 314 V C -2.009 174.080 176.094 -0.008 0.000 1.525 314 V CA -0.707 61.529 62.300 -0.107 0.000 0.999 314 V CB 2.040 33.828 31.823 -0.060 0.000 1.186 314 V HN 0.421 nan 8.190 nan 0.000 0.448 315 A N 4.659 127.492 122.820 0.023 0.000 2.287 315 A HA 0.984 5.304 4.320 -0.000 0.000 0.317 315 A C -0.416 177.211 177.584 0.072 0.000 1.220 315 A CA 0.002 52.078 52.037 0.066 0.000 0.835 315 A CB 0.774 19.808 19.000 0.056 0.000 1.180 315 A HN 1.504 nan 8.150 nan 0.000 0.500 316 N N 1.068 119.831 118.700 0.105 0.000 3.439 316 N HA 0.153 4.893 4.740 -0.000 0.000 0.313 316 N C 0.083 175.694 175.510 0.169 0.000 1.598 316 N CA -0.707 52.406 53.050 0.104 0.000 0.830 316 N CB 0.134 38.666 38.487 0.075 0.000 1.849 316 N HN 0.268 nan 8.380 nan 0.000 0.598 317 N N -0.569 118.229 118.700 0.162 0.000 2.396 317 N HA -0.012 4.728 4.740 -0.000 0.000 0.180 317 N C 0.664 176.382 175.510 0.347 0.000 1.028 317 N CA 0.818 54.025 53.050 0.261 0.000 0.893 317 N CB 0.040 38.624 38.487 0.161 0.000 0.967 317 N HN 0.491 nan 8.380 nan 0.000 0.440 318 S N -0.279 115.560 115.700 0.233 0.000 2.371 318 S HA -0.091 4.379 4.470 -0.000 0.000 0.224 318 S C 2.168 176.932 174.600 0.274 0.000 1.029 318 S CA 1.569 59.934 58.200 0.275 0.000 0.978 318 S CB -0.257 63.037 63.200 0.157 0.000 0.833 318 S HN 0.607 nan 8.310 nan 0.000 0.466 319 T N -0.504 114.145 114.554 0.157 0.000 2.821 319 T HA -0.145 4.205 4.350 -0.000 0.000 0.267 319 T C 1.709 176.504 174.700 0.159 0.000 1.046 319 T CA 1.188 63.316 62.100 0.047 0.000 1.139 319 T CB -0.688 68.208 68.868 0.046 0.000 0.871 319 T HN 0.446 nan 8.240 nan 0.000 0.454 320 Y N 0.123 120.532 120.300 0.181 0.000 2.242 320 Y HA 0.037 4.587 4.550 0.000 0.000 0.291 320 Y C 2.349 178.436 175.900 0.310 0.000 1.137 320 Y CA 0.658 58.896 58.100 0.230 0.000 1.181 320 Y CB -0.520 38.084 38.460 0.240 0.000 0.989 320 Y HN 0.278 nan 8.280 nan 0.000 0.527 321 W N -0.054 121.308 121.300 0.103 0.000 2.392 321 W HA -0.181 4.479 4.660 -0.000 0.000 0.279 321 W C 2.293 178.925 176.519 0.187 0.000 1.225 321 W CA 1.715 59.138 57.345 0.129 0.000 1.233 321 W CB -0.411 29.215 29.460 0.277 0.000 1.122 321 W HN 0.069 nan 8.180 nan 0.000 0.561 322 V N 1.497 121.493 119.914 0.136 0.000 2.392 322 V HA -0.299 3.821 4.120 -0.000 0.000 0.249 322 V C 2.108 178.197 176.094 -0.009 0.000 1.059 322 V CA 1.893 64.116 62.300 -0.127 0.000 1.051 322 V CB -0.442 31.229 31.823 -0.253 0.000 0.658 322 V HN 0.086 nan 8.190 nan 0.000 0.455 323 L N -1.336 119.855 121.223 -0.054 0.000 2.109 323 L HA -0.087 4.253 4.340 -0.000 0.000 0.207 323 L C 2.379 179.184 176.870 -0.109 0.000 1.086 323 L CA 1.920 56.738 54.840 -0.036 0.000 0.760 323 L CB -0.812 41.250 42.059 0.005 0.000 0.910 323 L HN 0.432 nan 8.230 nan 0.000 0.437 324 F N 1.473 121.087 119.950 -0.560 0.000 2.091 324 F HA -0.273 4.254 4.527 -0.000 0.000 0.299 324 F C 2.616 178.348 175.800 -0.113 0.000 1.103 324 F CA 1.766 59.448 58.000 -0.530 0.000 1.228 324 F CB 0.010 38.296 39.000 -1.190 0.000 0.984 324 F HN 0.042 nan 8.300 nan 0.000 0.477 325 E N 0.479 120.765 120.200 0.144 0.000 2.107 325 E HA -0.138 4.212 4.350 -0.000 0.000 0.191 325 E C 2.435 179.169 176.600 0.223 0.000 0.982 325 E CA 1.077 57.634 56.400 0.262 0.000 0.809 325 E CB -0.608 29.284 29.700 0.321 0.000 0.756 325 E HN 0.487 nan 8.360 nan 0.000 0.459 326 L N 0.527 121.849 121.223 0.165 0.000 2.131 326 L HA -0.129 4.211 4.340 -0.000 0.000 0.210 326 L C 2.407 179.400 176.870 0.205 0.000 1.092 326 L CA 0.716 55.662 54.840 0.178 0.000 0.759 326 L CB -0.307 41.846 42.059 0.156 0.000 0.903 326 L HN 0.087 nan 8.230 nan 0.000 0.435 327 I N -1.936 118.740 120.570 0.177 0.000 2.439 327 I HA -0.253 3.917 4.170 -0.000 0.000 0.251 327 I C 2.144 178.441 176.117 0.300 0.000 1.139 327 I CA 1.289 62.733 61.300 0.239 0.000 1.438 327 I CB -0.226 37.822 38.000 0.079 0.000 1.085 327 I HN 0.299 nan 8.210 nan 0.000 0.427 328 W N 1.195 122.566 121.300 0.118 0.000 2.358 328 W HA -0.185 4.475 4.660 -0.000 0.000 0.303 328 W C 2.869 179.457 176.519 0.115 0.000 1.208 328 W CA 1.252 58.594 57.345 -0.005 0.000 1.274 328 W CB -0.185 29.134 29.460 -0.235 0.000 1.138 328 W HN 0.016 nan 8.180 nan 0.000 0.515 329 R N 0.617 121.346 120.500 0.383 0.000 2.083 329 R HA -0.194 4.146 4.340 -0.000 0.000 0.237 329 R C 1.680 178.095 176.300 0.193 0.000 1.137 329 R CA 2.313 58.587 56.100 0.291 0.000 0.951 329 R CB -0.604 29.815 30.300 0.198 0.000 0.851 329 R HN 0.017 nan 8.270 nan 0.000 0.434 330 D N -0.529 119.982 120.400 0.186 0.000 2.104 330 D HA -0.212 4.428 4.640 -0.000 0.000 0.194 330 D C 1.577 177.866 176.300 -0.018 0.000 0.994 330 D CA 1.239 55.285 54.000 0.077 0.000 0.830 330 D CB -0.436 40.611 40.800 0.412 0.000 0.959 330 D HN 0.274 nan 8.370 nan 0.000 0.452 331 Y N 0.255 120.504 120.300 -0.085 0.000 2.145 331 Y HA -0.208 4.342 4.550 -0.000 0.000 0.286 331 Y C 2.012 177.747 175.900 -0.276 0.000 1.145 331 Y CA 1.221 59.046 58.100 -0.458 0.000 1.148 331 Y CB -0.631 37.469 38.460 -0.599 0.000 0.981 331 Y HN -0.110 nan 8.280 nan 0.000 0.507 332 F N -0.009 119.914 119.950 -0.046 0.000 2.171 332 F HA -0.129 4.398 4.527 0.000 0.000 0.300 332 F C 2.601 178.314 175.800 -0.146 0.000 1.090 332 F CA 1.682 59.614 58.000 -0.114 0.000 1.293 332 F CB -0.782 38.224 39.000 0.010 0.000 1.013 332 F HN -0.020 nan 8.300 nan 0.000 0.486 333 R N 0.116 120.618 120.500 0.004 0.000 2.073 333 R HA -0.163 4.177 4.340 -0.000 0.000 0.234 333 R C 1.968 178.230 176.300 -0.063 0.000 1.134 333 R CA 1.829 57.873 56.100 -0.093 0.000 0.952 333 R CB -1.056 29.106 30.300 -0.230 0.000 0.850 333 R HN 0.150 nan 8.270 nan 0.000 0.433 334 F N -0.016 119.952 119.950 0.031 0.000 2.186 334 F HA -0.043 4.484 4.527 -0.000 0.000 0.299 334 F C 1.944 177.666 175.800 -0.130 0.000 1.090 334 F CA 0.542 58.528 58.000 -0.024 0.000 1.307 334 F CB -0.807 38.147 39.000 -0.077 0.000 1.019 334 F HN 0.017 nan 8.300 nan 0.000 0.489 335 L N 0.313 121.459 121.223 -0.127 0.000 2.081 335 L HA -0.241 4.099 4.340 -0.000 0.000 0.212 335 L C 2.774 179.599 176.870 -0.076 0.000 1.080 335 L CA 2.052 56.773 54.840 -0.198 0.000 0.754 335 L CB -1.580 40.288 42.059 -0.318 0.000 0.893 335 L HN 0.311 nan 8.230 nan 0.000 0.433 336 S N -0.984 114.701 115.700 -0.025 0.000 2.383 336 S HA -0.191 4.279 4.470 -0.000 0.000 0.229 336 S C 2.054 176.663 174.600 0.016 0.000 1.030 336 S CA 1.455 59.638 58.200 -0.028 0.000 1.002 336 S CB -0.660 62.541 63.200 0.002 0.000 0.829 336 S HN 0.452 nan 8.310 nan 0.000 0.467 337 I N 1.421 122.047 120.570 0.093 0.000 2.233 337 I HA -0.088 4.082 4.170 -0.000 0.000 0.243 337 I C 2.845 179.020 176.117 0.098 0.000 1.093 337 I CA 1.473 62.861 61.300 0.147 0.000 1.380 337 I CB -0.353 37.790 38.000 0.238 0.000 1.067 337 I HN 0.323 nan 8.210 nan 0.000 0.413 338 K N 0.560 120.987 120.400 0.046 0.000 2.097 338 K HA -0.176 4.144 4.320 -0.000 0.000 0.206 338 K C 2.119 178.637 176.600 -0.136 0.000 1.049 338 K CA 1.730 57.983 56.287 -0.056 0.000 0.933 338 K CB -0.031 32.425 32.500 -0.074 0.000 0.717 338 K HN 0.380 nan 8.250 nan 0.000 0.442 339 C N -0.043 119.192 119.300 -0.107 0.000 2.533 339 C HA 0.264 4.724 4.460 -0.000 0.000 0.272 339 C C 1.469 176.381 174.990 -0.129 0.000 1.371 339 C CA 0.065 59.007 59.018 -0.126 0.000 1.758 339 C CB -0.829 26.832 27.740 -0.131 0.000 1.972 339 C HN 0.841 nan 8.230 nan 0.000 0.522 340 G N 1.854 110.596 108.800 -0.097 0.000 2.582 340 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.288 340 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.288 340 G C 0.546 175.366 174.900 -0.133 0.000 1.247 340 G CA 0.680 45.741 45.100 -0.065 0.000 0.972 340 G HN 0.356 nan 8.290 nan 0.000 0.557 341 N N 1.448 120.095 118.700 -0.089 0.000 2.520 341 N HA -0.057 4.683 4.740 -0.000 0.000 0.185 341 N C 2.512 177.687 175.510 -0.558 0.000 1.068 341 N CA 1.681 54.656 53.050 -0.126 0.000 0.911 341 N CB -0.315 38.166 38.487 -0.009 0.000 0.961 341 N HN 0.859 nan 8.380 nan 0.000 0.446 342 S N 0.425 115.842 115.700 -0.472 0.000 2.469 342 S HA -0.092 4.378 4.470 -0.000 0.000 0.238 342 S C 1.861 176.284 174.600 -0.296 0.000 0.998 342 S CA 0.286 58.232 58.200 -0.422 0.000 0.957 342 S CB -0.430 62.707 63.200 -0.105 0.000 0.764 342 S HN 0.208 nan 8.310 nan 0.000 0.514 343 L N 0.436 121.415 121.223 -0.407 0.000 2.129 343 L HA 0.075 4.415 4.340 -0.000 0.000 0.212 343 L C 1.372 178.014 176.870 -0.379 0.000 1.087 343 L CA 1.684 56.234 54.840 -0.484 0.000 0.757 343 L CB -0.796 40.752 42.059 -0.851 0.000 0.896 343 L HN 0.365 nan 8.230 nan 0.000 0.434 344 F N -2.229 117.688 119.950 -0.055 0.000 2.721 344 F HA 0.228 4.755 4.527 -0.000 0.000 0.301 344 F C 1.004 176.942 175.800 0.231 0.000 1.096 344 F CA -0.634 57.389 58.000 0.038 0.000 1.308 344 F CB -0.645 38.215 39.000 -0.233 0.000 1.086 344 F HN 0.050 nan 8.300 nan 0.000 0.587 345 H N 0.319 119.559 119.070 0.284 0.000 2.582 345 H HA 0.105 4.661 4.556 -0.000 0.000 0.345 345 H C 1.168 176.633 175.328 0.228 0.000 1.104 345 H CA -0.787 55.367 56.048 0.177 0.000 1.390 345 H CB 1.789 31.620 29.762 0.115 0.000 1.461 345 H HN -0.029 nan 8.280 nan 0.000 0.551 346 L N 3.124 124.419 121.223 0.120 0.000 2.021 346 L HA -0.148 4.192 4.340 -0.000 0.000 0.215 346 L C 2.177 179.187 176.870 0.234 0.000 1.074 346 L CA 2.372 57.194 54.840 -0.030 0.000 0.760 346 L CB -0.828 41.046 42.059 -0.309 0.000 0.889 346 L HN 0.839 nan 8.230 nan 0.000 0.433 347 G N -1.942 106.978 108.800 0.200 0.000 2.985 347 G HA2 0.392 4.352 3.960 -0.000 0.000 0.209 347 G HA3 0.392 4.352 3.960 -0.000 0.000 0.209 347 G C 0.861 175.882 174.900 0.202 0.000 1.165 347 G CA 0.438 45.671 45.100 0.222 0.000 0.776 347 G HN 0.939 nan 8.290 nan 0.000 0.541 348 G N 0.098 109.033 108.800 0.226 0.000 2.752 348 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.234 348 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.234 348 G C -1.031 173.927 174.900 0.096 0.000 1.367 348 G CA -0.142 45.038 45.100 0.133 0.000 0.879 348 G HN 0.094 nan 8.290 nan 0.000 0.563 349 P HA -0.067 nan 4.420 nan 0.000 0.216 349 P C 2.229 179.549 177.300 0.034 0.000 1.153 349 P CA 3.409 66.518 63.100 0.014 0.000 0.858 349 P CB -0.192 31.500 31.700 -0.014 0.000 0.789 350 R N -0.615 119.910 120.500 0.043 0.000 2.313 350 R HA 0.094 4.434 4.340 -0.000 0.000 0.199 350 R C 1.050 177.387 176.300 0.061 0.000 0.958 350 R CA 0.836 56.963 56.100 0.044 0.000 1.047 350 R CB -1.837 28.487 30.300 0.041 0.000 0.955 350 R HN 0.203 nan 8.270 nan 0.000 0.481 351 N N -0.821 117.930 118.700 0.085 0.000 2.756 351 N HA -0.127 4.613 4.740 -0.000 0.000 0.248 351 N C -0.716 174.851 175.510 0.096 0.000 1.062 351 N CA 0.842 53.948 53.050 0.094 0.000 0.696 351 N CB -2.086 36.444 38.487 0.072 0.000 0.946 351 N HN 0.290 nan 8.380 nan 0.000 0.548 352 V N 1.110 121.096 119.914 0.120 0.000 2.637 352 V HA 0.111 4.231 4.120 -0.000 0.000 0.296 352 V C 1.066 177.257 176.094 0.162 0.000 1.046 352 V CA 0.040 62.418 62.300 0.130 0.000 1.066 352 V CB 1.289 33.202 31.823 0.151 0.000 0.968 352 V HN 0.310 nan 8.190 nan 0.000 0.483 353 Q N 2.027 121.905 119.800 0.130 0.000 2.260 353 Q HA 0.727 5.067 4.340 -0.000 0.000 0.242 353 Q C 0.363 176.460 176.000 0.162 0.000 0.932 353 Q CA 0.594 56.482 55.803 0.141 0.000 0.891 353 Q CB 1.736 30.526 28.738 0.086 0.000 1.222 353 Q HN 1.053 nan 8.270 nan 0.000 0.453 354 G N 0.590 109.509 108.800 0.198 0.000 2.495 354 G HA2 0.443 4.403 3.960 -0.000 0.000 0.294 354 G HA3 0.443 4.403 3.960 -0.000 0.000 0.294 354 G C -1.590 173.326 174.900 0.027 0.000 1.397 354 G CA -0.749 44.400 45.100 0.082 0.000 0.790 354 G HN 0.252 nan 8.290 nan 0.000 0.486 355 K N 0.123 120.369 120.400 -0.256 0.000 2.394 355 K HA 0.447 4.767 4.320 -0.000 0.000 0.260 355 K C -1.727 174.664 176.600 -0.349 0.000 0.967 355 K CA -0.363 55.824 56.287 -0.168 0.000 0.855 355 K CB 1.795 34.219 32.500 -0.127 0.000 1.101 355 K HN 0.470 nan 8.250 nan 0.000 0.433 356 W N 0.734 122.030 121.300 -0.006 0.000 2.883 356 W HA 0.306 4.966 4.660 -0.000 0.000 0.335 356 W C 0.387 176.884 176.519 -0.038 0.000 1.083 356 W CA -0.697 56.637 57.345 -0.018 0.000 1.233 356 W CB 1.565 31.012 29.460 -0.022 0.000 1.412 356 W HN 0.335 nan 8.180 nan 0.000 0.490 357 S N 1.128 116.927 115.700 0.165 0.000 2.616 357 S HA 0.339 4.809 4.470 -0.000 0.000 0.277 357 S C 0.114 174.740 174.600 0.043 0.000 1.234 357 S CA -0.338 57.908 58.200 0.078 0.000 1.028 357 S CB 1.034 64.258 63.200 0.039 0.000 0.988 357 S HN 0.620 nan 8.310 nan 0.000 0.522 358 Q N 1.785 121.592 119.800 0.012 0.000 2.182 358 Q HA 0.171 4.511 4.340 -0.000 0.000 0.270 358 Q C -1.114 174.871 176.000 -0.026 0.000 0.861 358 Q CA -0.232 55.544 55.803 -0.045 0.000 1.098 358 Q CB 0.400 29.142 28.738 0.005 0.000 1.188 358 Q HN 0.757 nan 8.270 nan 0.000 0.464 359 D N 0.945 121.350 120.400 0.008 0.000 2.451 359 D HA -0.104 4.536 4.640 -0.000 0.000 0.254 359 D C 1.136 177.475 176.300 0.065 0.000 1.204 359 D CA 0.381 54.402 54.000 0.035 0.000 0.896 359 D CB 0.991 41.815 40.800 0.041 0.000 1.136 359 D HN -0.003 nan 8.370 nan 0.000 0.499 360 Q N 3.789 123.630 119.800 0.069 0.000 2.079 360 Q HA -0.151 4.189 4.340 -0.000 0.000 0.200 360 Q C 1.474 177.561 176.000 0.144 0.000 0.974 360 Q CA 1.626 57.498 55.803 0.115 0.000 0.840 360 Q CB 0.143 28.935 28.738 0.090 0.000 0.898 360 Q HN 0.515 nan 8.270 nan 0.000 0.430 361 K N -0.375 120.082 120.400 0.094 0.000 2.026 361 K HA -0.107 4.213 4.320 -0.000 0.000 0.208 361 K C 2.103 178.755 176.600 0.087 0.000 1.048 361 K CA 1.260 57.593 56.287 0.076 0.000 0.929 361 K CB -0.250 32.283 32.500 0.054 0.000 0.713 361 K HN 0.255 nan 8.250 nan 0.000 0.439 362 L N 0.043 121.327 121.223 0.101 0.000 1.989 362 L HA -0.230 4.110 4.340 -0.000 0.000 0.211 362 L C 2.417 179.377 176.870 0.149 0.000 1.071 362 L CA 1.394 56.303 54.840 0.115 0.000 0.749 362 L CB -0.416 41.700 42.059 0.095 0.000 0.890 362 L HN 0.174 nan 8.230 nan 0.000 0.431 363 F N 1.032 120.991 119.950 0.015 0.000 2.126 363 F HA -0.243 4.284 4.527 -0.000 0.000 0.299 363 F C 2.391 178.226 175.800 0.058 0.000 1.096 363 F CA 1.768 59.773 58.000 0.010 0.000 1.255 363 F CB -0.203 38.750 39.000 -0.077 0.000 0.997 363 F HN 0.081 nan 8.300 nan 0.000 0.479 364 E N -0.146 120.011 120.200 -0.072 0.000 2.110 364 E HA -0.214 4.136 4.350 -0.000 0.000 0.193 364 E C 2.386 178.872 176.600 -0.191 0.000 0.988 364 E CA 1.491 57.770 56.400 -0.202 0.000 0.804 364 E CB -0.313 29.366 29.700 -0.034 0.000 0.745 364 E HN 0.550 nan 8.360 nan 0.000 0.458 365 S N 0.069 115.736 115.700 -0.054 0.000 2.399 365 S HA -0.200 4.270 4.470 -0.000 0.000 0.231 365 S C 1.720 176.332 174.600 0.019 0.000 1.022 365 S CA 0.752 58.950 58.200 -0.003 0.000 0.983 365 S CB -0.494 62.752 63.200 0.076 0.000 0.803 365 S HN 0.508 nan 8.310 nan 0.000 0.480 366 W N 2.659 123.847 121.300 -0.187 0.000 2.408 366 W HA 0.109 4.769 4.660 -0.000 0.000 0.311 366 W C 2.743 179.062 176.519 -0.332 0.000 1.190 366 W CA 1.339 58.582 57.345 -0.171 0.000 1.321 366 W CB -0.411 28.981 29.460 -0.112 0.000 1.143 366 W HN 0.207 nan 8.180 nan 0.000 0.501 367 R N 0.201 120.386 120.500 -0.525 0.000 2.091 367 R HA -0.182 4.158 4.340 -0.000 0.000 0.238 367 R C 0.877 176.850 176.300 -0.546 0.000 1.136 367 R CA 2.162 57.723 56.100 -0.900 0.000 0.959 367 R CB -0.703 28.752 30.300 -1.409 0.000 0.856 367 R HN 0.078 nan 8.270 nan 0.000 0.437 368 D N -0.506 119.666 120.400 -0.380 0.000 2.325 368 D HA 0.155 4.795 4.640 -0.000 0.000 0.225 368 D C 0.124 176.323 176.300 -0.169 0.000 1.096 368 D CA 0.812 54.674 54.000 -0.229 0.000 0.844 368 D CB 0.819 41.513 40.800 -0.175 0.000 0.925 368 D HN 0.360 nan 8.370 nan 0.000 0.513 369 A N 1.010 123.711 122.820 -0.199 0.000 2.800 369 A HA -0.271 4.049 4.320 -0.000 0.000 0.292 369 A C 0.574 178.113 177.584 -0.076 0.000 1.474 369 A CA 0.756 52.707 52.037 -0.143 0.000 0.744 369 A CB -2.186 16.738 19.000 -0.126 0.000 1.044 369 A HN 0.324 nan 8.150 nan 0.000 0.489 370 K N -0.418 119.941 120.400 -0.069 0.000 3.202 370 K HA 0.194 4.514 4.320 -0.000 0.000 0.206 370 K C 1.336 177.930 176.600 -0.011 0.000 1.142 370 K CA 0.441 56.685 56.287 -0.071 0.000 0.979 370 K CB 0.282 32.730 32.500 -0.087 0.000 0.863 370 K HN 0.728 nan 8.250 nan 0.000 0.479 371 T N -3.049 111.538 114.554 0.055 0.000 3.014 371 T HA 0.063 4.413 4.350 -0.000 0.000 0.263 371 T C 1.565 176.331 174.700 0.110 0.000 1.078 371 T CA 1.023 63.231 62.100 0.180 0.000 1.135 371 T CB 0.079 69.107 68.868 0.266 0.000 0.895 371 T HN 0.434 nan 8.240 nan 0.000 0.480 372 G N 0.361 109.178 108.800 0.030 0.000 2.175 372 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.244 372 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.244 372 G C -0.215 174.623 174.900 -0.104 0.000 0.982 372 G CA -0.008 45.063 45.100 -0.047 0.000 0.641 372 G HN 0.624 nan 8.290 nan 0.000 0.527 373 Y N 0.286 120.673 120.300 0.145 0.000 2.402 373 Y HA 0.472 5.022 4.550 -0.000 0.000 0.332 373 Y C -1.113 174.745 175.900 -0.070 0.000 0.960 373 Y CA -2.140 55.947 58.100 -0.022 0.000 1.228 373 Y CB 1.771 40.148 38.460 -0.139 0.000 1.120 373 Y HN -0.051 nan 8.280 nan 0.000 0.491 374 P HA -0.265 nan 4.420 nan 0.000 0.216 374 P C 1.829 179.127 177.300 -0.004 0.000 1.154 374 P CA 1.222 64.223 63.100 -0.164 0.000 0.865 374 P CB 0.358 31.856 31.700 -0.336 0.000 0.789 375 L N -1.066 120.195 121.223 0.063 0.000 2.042 375 L HA -0.173 4.167 4.340 -0.000 0.000 0.210 375 L C 2.049 178.933 176.870 0.024 0.000 1.076 375 L CA 2.005 56.907 54.840 0.104 0.000 0.749 375 L CB -1.161 40.906 42.059 0.013 0.000 0.893 375 L HN -0.122 nan 8.230 nan 0.000 0.432 376 I N -0.482 120.035 120.570 -0.090 0.000 2.193 376 I HA -0.203 3.967 4.170 -0.000 0.000 0.240 376 I C 2.171 178.202 176.117 -0.142 0.000 1.084 376 I CA 1.177 62.364 61.300 -0.189 0.000 1.365 376 I CB -1.562 36.167 38.000 -0.451 0.000 1.064 376 I HN 0.272 nan 8.210 nan 0.000 0.410 377 D N 1.271 121.626 120.400 -0.075 0.000 2.144 377 D HA -0.095 4.545 4.640 -0.000 0.000 0.199 377 D C 2.282 178.532 176.300 -0.083 0.000 0.984 377 D CA 1.512 55.477 54.000 -0.058 0.000 0.834 377 D CB -0.070 40.781 40.800 0.085 0.000 0.955 377 D HN 0.281 nan 8.370 nan 0.000 0.465 378 A N 1.259 124.052 122.820 -0.046 0.000 1.877 378 A HA -0.210 4.109 4.320 -0.000 0.000 0.216 378 A C 2.054 179.501 177.584 -0.228 0.000 1.186 378 A CA 1.353 53.326 52.037 -0.107 0.000 0.620 378 A CB -0.521 18.413 19.000 -0.110 0.000 0.822 378 A HN 0.146 nan 8.150 nan 0.000 0.443 379 N N -0.553 118.128 118.700 -0.031 0.000 2.084 379 N HA -0.128 4.612 4.740 -0.000 0.000 0.190 379 N C 1.699 177.054 175.510 -0.259 0.000 1.030 379 N CA 1.721 54.727 53.050 -0.073 0.000 0.849 379 N CB -0.300 38.165 38.487 -0.036 0.000 1.012 379 N HN 0.339 nan 8.380 nan 0.000 0.423 380 M N 1.056 120.485 119.600 -0.286 0.000 2.229 380 M HA -0.063 4.417 4.480 -0.000 0.000 0.264 380 M C 2.042 178.160 176.300 -0.304 0.000 1.063 380 M CA 1.009 56.102 55.300 -0.346 0.000 1.114 380 M CB -0.869 31.449 32.600 -0.471 0.000 1.387 380 M HN 0.082 nan 8.290 nan 0.000 0.420 381 K N 0.514 120.719 120.400 -0.325 0.000 2.057 381 K HA -0.179 4.141 4.320 -0.000 0.000 0.206 381 K C 1.982 178.206 176.600 -0.626 0.000 1.050 381 K CA 1.386 57.470 56.287 -0.338 0.000 0.935 381 K CB -0.003 32.367 32.500 -0.217 0.000 0.715 381 K HN 0.334 nan 8.250 nan 0.000 0.439 382 E N 0.506 120.077 120.200 -1.049 0.000 2.070 382 E HA -0.252 4.098 4.350 -0.000 0.000 0.197 382 E C 2.040 178.337 176.600 -0.505 0.000 1.004 382 E CA 1.391 57.049 56.400 -1.237 0.000 0.805 382 E CB -0.111 29.046 29.700 -0.906 0.000 0.744 382 E HN 0.259 nan 8.360 nan 0.000 0.451 383 L N 0.980 121.971 121.223 -0.387 0.000 1.994 383 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 383 L C 2.476 179.200 176.870 -0.244 0.000 1.071 383 L CA 2.588 57.238 54.840 -0.316 0.000 0.745 383 L CB -0.681 41.151 42.059 -0.379 0.000 0.892 383 L HN 0.238 nan 8.230 nan 0.000 0.431 384 S N -3.004 112.586 115.700 -0.183 0.000 2.453 384 S HA -0.110 4.360 4.470 -0.000 0.000 0.231 384 S C 1.709 176.273 174.600 -0.061 0.000 1.005 384 S CA 1.209 59.357 58.200 -0.087 0.000 0.949 384 S CB -0.924 62.301 63.200 0.042 0.000 0.774 384 S HN 0.541 nan 8.310 nan 0.000 0.510 385 T N 1.946 116.451 114.554 -0.081 0.000 2.937 385 T HA 0.031 4.381 4.350 -0.000 0.000 0.260 385 T C 2.027 176.772 174.700 0.075 0.000 1.051 385 T CA 1.604 63.720 62.100 0.026 0.000 1.141 385 T CB -0.291 68.646 68.868 0.115 0.000 0.879 385 T HN 0.809 nan 8.240 nan 0.000 0.459 386 T N -2.238 112.349 114.554 0.055 0.000 2.958 386 T HA 0.446 4.796 4.350 -0.000 0.000 0.256 386 T C 1.735 176.483 174.700 0.080 0.000 0.983 386 T CA 0.784 62.970 62.100 0.143 0.000 0.924 386 T CB 0.258 69.295 68.868 0.282 0.000 1.136 386 T HN 0.448 nan 8.240 nan 0.000 0.506 387 G N 1.188 109.964 108.800 -0.040 0.000 2.143 387 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.248 387 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.248 387 G C -0.194 174.626 174.900 -0.134 0.000 0.991 387 G CA 0.376 45.395 45.100 -0.135 0.000 0.689 387 G HN 0.755 nan 8.290 nan 0.000 0.522 388 F N -0.372 119.449 119.950 -0.216 0.000 2.599 388 F HA 0.851 5.378 4.527 -0.000 0.000 0.311 388 F C -0.368 175.333 175.800 -0.164 0.000 1.076 388 F CA -1.295 56.580 58.000 -0.209 0.000 0.937 388 F CB 1.844 40.797 39.000 -0.078 0.000 1.282 388 F HN 0.123 nan 8.300 nan 0.000 0.460 389 M N 3.787 122.880 119.600 -0.845 0.000 2.421 389 M HA 0.374 4.854 4.480 -0.000 0.000 0.287 389 M C -1.021 174.889 176.300 -0.650 0.000 1.183 389 M CA -0.662 54.341 55.300 -0.495 0.000 0.916 389 M CB 2.179 34.504 32.600 -0.459 0.000 1.701 389 M HN 0.766 nan 8.290 nan 0.000 0.470 390 S N 2.338 117.949 115.700 -0.148 0.000 2.573 390 S HA 0.039 4.509 4.470 -0.000 0.000 0.277 390 S C 0.794 175.286 174.600 -0.181 0.000 1.346 390 S CA 0.046 58.240 58.200 -0.009 0.000 1.034 390 S CB 0.624 63.776 63.200 -0.080 0.000 0.879 390 S HN 0.954 nan 8.310 nan 0.000 0.528 391 N N 1.513 120.157 118.700 -0.092 0.000 2.094 391 N HA -0.252 4.488 4.740 -0.000 0.000 0.191 391 N C 1.891 177.277 175.510 -0.206 0.000 1.023 391 N CA 1.545 54.512 53.050 -0.138 0.000 0.857 391 N CB -0.252 38.206 38.487 -0.048 0.000 1.013 391 N HN 0.690 nan 8.380 nan 0.000 0.426 392 R N 0.580 120.937 120.500 -0.239 0.000 2.083 392 R HA -0.033 4.307 4.340 -0.000 0.000 0.237 392 R C 2.290 178.394 176.300 -0.327 0.000 1.137 392 R CA 2.042 57.947 56.100 -0.325 0.000 0.951 392 R CB -1.355 28.672 30.300 -0.456 0.000 0.851 392 R HN 0.330 nan 8.270 nan 0.000 0.434 393 G N 0.196 108.818 108.800 -0.297 0.000 2.440 393 G HA2 -0.268 3.691 3.960 -0.000 0.000 0.218 393 G HA3 -0.268 3.691 3.960 -0.000 0.000 0.218 393 G C 1.441 176.219 174.900 -0.203 0.000 1.154 393 G CA 0.832 45.785 45.100 -0.246 0.000 0.767 393 G HN 0.356 nan 8.290 nan 0.000 0.552 394 R N 0.002 120.386 120.500 -0.193 0.000 2.091 394 R HA -0.093 4.247 4.340 -0.000 0.000 0.238 394 R C 2.834 178.955 176.300 -0.300 0.000 1.136 394 R CA 1.642 57.683 56.100 -0.100 0.000 0.959 394 R CB -0.369 29.884 30.300 -0.079 0.000 0.856 394 R HN 0.466 nan 8.270 nan 0.000 0.437 395 Q N 0.302 119.842 119.800 -0.432 0.000 2.084 395 Q HA -0.120 4.220 4.340 -0.000 0.000 0.202 395 Q C 2.187 177.631 176.000 -0.926 0.000 0.978 395 Q CA 1.309 56.698 55.803 -0.689 0.000 0.844 395 Q CB -0.103 28.186 28.738 -0.748 0.000 0.898 395 Q HN 0.377 nan 8.270 nan 0.000 0.426 396 I N 0.424 120.541 120.570 -0.756 0.000 2.202 396 I HA -0.227 3.943 4.170 -0.000 0.000 0.242 396 I C 2.385 178.383 176.117 -0.198 0.000 1.091 396 I CA 1.054 62.033 61.300 -0.534 0.000 1.368 396 I CB -0.415 37.410 38.000 -0.292 0.000 1.058 396 I HN 0.153 nan 8.210 nan 0.000 0.410 397 V N -1.722 118.153 119.914 -0.064 0.000 2.626 397 V HA -0.241 3.879 4.120 -0.000 0.000 0.252 397 V C 2.452 178.749 176.094 0.338 0.000 1.067 397 V CA 1.529 63.987 62.300 0.265 0.000 1.081 397 V CB -1.116 30.915 31.823 0.346 0.000 0.686 397 V HN 0.652 nan 8.190 nan 0.000 0.468 398 C N 0.644 119.881 119.300 -0.104 0.000 2.462 398 C HA -0.128 4.332 4.460 -0.000 0.000 0.278 398 C C 3.183 178.139 174.990 -0.056 0.000 1.253 398 C CA 1.834 60.641 59.018 -0.352 0.000 1.713 398 C CB -0.794 26.405 27.740 -0.902 0.000 2.049 398 C HN 0.744 nan 8.230 nan 0.000 0.477 399 S N -0.832 114.798 115.700 -0.118 0.000 2.374 399 S HA -0.225 4.245 4.470 -0.000 0.000 0.227 399 S C 1.722 176.363 174.600 0.069 0.000 1.037 399 S CA 2.013 60.208 58.200 -0.010 0.000 1.024 399 S CB -0.774 62.394 63.200 -0.053 0.000 0.861 399 S HN 0.700 nan 8.310 nan 0.000 0.456 400 F N 1.645 121.579 119.950 -0.027 0.000 2.102 400 F HA 0.004 4.531 4.527 -0.000 0.000 0.298 400 F C 2.029 177.865 175.800 0.061 0.000 1.105 400 F CA 1.729 59.749 58.000 0.034 0.000 1.239 400 F CB -0.512 38.540 39.000 0.086 0.000 0.991 400 F HN 0.288 nan 8.300 nan 0.000 0.474 401 L N -0.536 120.793 121.223 0.178 0.000 2.012 401 L HA -0.195 4.145 4.340 -0.000 0.000 0.210 401 L C 2.075 178.926 176.870 -0.031 0.000 1.073 401 L CA 1.577 56.349 54.840 -0.114 0.000 0.748 401 L CB -0.497 41.299 42.059 -0.438 0.000 0.891 401 L HN 0.051 nan 8.230 nan 0.000 0.431 402 V N -0.120 119.860 119.914 0.110 0.000 2.346 402 V HA -0.127 3.993 4.120 -0.000 0.000 0.244 402 V C 2.654 178.787 176.094 0.066 0.000 1.037 402 V CA 1.672 64.094 62.300 0.203 0.000 1.029 402 V CB -0.658 31.365 31.823 0.334 0.000 0.663 402 V HN 0.443 nan 8.190 nan 0.000 0.454 403 R N -0.216 120.317 120.500 0.054 0.000 2.123 403 R HA 0.081 4.421 4.340 -0.000 0.000 0.209 403 R C 1.766 178.054 176.300 -0.019 0.000 1.078 403 R CA 0.973 57.115 56.100 0.070 0.000 1.028 403 R CB -0.583 29.902 30.300 0.309 0.000 0.939 403 R HN 0.515 nan 8.270 nan 0.000 0.463 404 D N 0.669 120.985 120.400 -0.140 0.000 2.162 404 D HA 0.046 4.686 4.640 -0.000 0.000 0.205 404 D C 1.935 178.024 176.300 -0.351 0.000 0.964 404 D CA 0.919 54.730 54.000 -0.314 0.000 0.847 404 D CB 0.179 40.583 40.800 -0.660 0.000 0.988 404 D HN 0.130 nan 8.370 nan 0.000 0.480 405 M N -0.329 119.036 119.600 -0.391 0.000 2.476 405 M HA 0.128 4.608 4.480 -0.000 0.000 0.262 405 M C 1.233 177.471 176.300 -0.103 0.000 1.111 405 M CA 0.726 55.897 55.300 -0.215 0.000 1.127 405 M CB 0.518 33.018 32.600 -0.168 0.000 1.376 405 M HN 0.048 nan 8.290 nan 0.000 0.465 406 G N 2.119 110.865 108.800 -0.090 0.000 2.160 406 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.251 406 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.251 406 G C -0.095 174.824 174.900 0.032 0.000 1.008 406 G CA -0.169 44.894 45.100 -0.062 0.000 0.724 406 G HN 0.368 nan 8.290 nan 0.000 0.514 407 L N 0.416 121.684 121.223 0.075 0.000 2.375 407 L HA 0.352 4.692 4.340 -0.000 0.000 0.271 407 L C 0.816 177.873 176.870 0.312 0.000 1.107 407 L CA -0.961 53.943 54.840 0.108 0.000 0.806 407 L CB 0.797 42.842 42.059 -0.024 0.000 1.146 407 L HN 0.140 nan 8.230 nan 0.000 0.447 408 D N 2.902 123.415 120.400 0.188 0.000 2.570 408 D HA -0.163 4.477 4.640 -0.000 0.000 0.243 408 D C 1.041 177.170 176.300 -0.285 0.000 1.171 408 D CA 0.143 54.089 54.000 -0.089 0.000 0.879 408 D CB 0.587 41.229 40.800 -0.263 0.000 1.143 408 D HN 0.530 nan 8.370 nan 0.000 0.511 409 W N 5.145 126.254 121.300 -0.318 0.000 2.392 409 W HA -0.153 4.507 4.660 0.000 0.000 0.279 409 W C 1.158 177.399 176.519 -0.464 0.000 1.225 409 W CA -0.060 57.136 57.345 -0.248 0.000 1.233 409 W CB -0.664 28.765 29.460 -0.053 0.000 1.122 409 W HN 0.374 nan 8.180 nan 0.000 0.561 410 R N 0.397 120.196 120.500 -1.169 0.000 2.189 410 R HA -0.055 4.285 4.340 -0.000 0.000 0.223 410 R C 2.426 178.478 176.300 -0.413 0.000 1.092 410 R CA 1.731 57.299 56.100 -0.886 0.000 0.989 410 R CB -0.409 29.395 30.300 -0.827 0.000 0.876 410 R HN 0.256 nan 8.270 nan 0.000 0.457 411 M N -0.513 118.688 119.600 -0.666 0.000 2.099 411 M HA -0.063 4.417 4.480 -0.000 0.000 0.262 411 M C 2.403 178.512 176.300 -0.320 0.000 1.067 411 M CA 1.850 56.636 55.300 -0.856 0.000 1.124 411 M CB -0.469 31.385 32.600 -1.243 0.000 1.353 411 M HN 0.327 nan 8.290 nan 0.000 0.410 412 G N 0.040 108.498 108.800 -0.571 0.000 2.421 412 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.216 412 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.216 412 G C 1.645 175.933 174.900 -1.020 0.000 1.171 412 G CA 0.984 45.621 45.100 -0.772 0.000 0.775 412 G HN 0.526 nan 8.290 nan 0.000 0.543 413 A N 0.900 122.768 122.820 -1.587 0.000 1.883 413 A HA -0.069 4.251 4.320 -0.000 0.000 0.217 413 A C 2.172 179.547 177.584 -0.348 0.000 1.186 413 A CA 1.975 53.237 52.037 -1.293 0.000 0.624 413 A CB -0.436 18.009 19.000 -0.925 0.000 0.822 413 A HN 0.456 nan 8.150 nan 0.000 0.444 414 E N -1.531 118.669 120.200 -0.001 0.000 2.150 414 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 414 E C 1.868 178.758 176.600 0.483 0.000 0.985 414 E CA 0.774 57.379 56.400 0.342 0.000 0.814 414 E CB -0.230 29.787 29.700 0.528 0.000 0.752 414 E HN 0.887 nan 8.360 nan 0.000 0.466 415 W N 0.448 121.910 121.300 0.269 0.000 2.381 415 W HA -0.200 4.460 4.660 -0.000 0.000 0.301 415 W C 1.404 178.083 176.519 0.267 0.000 1.205 415 W CA 0.732 58.156 57.345 0.132 0.000 1.285 415 W CB -0.129 29.481 29.460 0.250 0.000 1.133 415 W HN 0.043 nan 8.180 nan 0.000 0.521 416 F N 1.461 121.455 119.950 0.072 0.000 2.126 416 F HA -0.219 4.308 4.527 -0.000 0.000 0.299 416 F C 2.520 178.216 175.800 -0.174 0.000 1.096 416 F CA 1.952 59.945 58.000 -0.012 0.000 1.255 416 F CB -1.384 37.801 39.000 0.308 0.000 0.997 416 F HN 0.040 nan 8.300 nan 0.000 0.479 417 E N -0.383 119.784 120.200 -0.056 0.000 2.118 417 E HA -0.197 4.153 4.350 -0.000 0.000 0.195 417 E C 1.938 178.263 176.600 -0.459 0.000 0.992 417 E CA 1.907 57.952 56.400 -0.592 0.000 0.804 417 E CB -0.065 29.291 29.700 -0.574 0.000 0.741 417 E HN 0.326 nan 8.360 nan 0.000 0.458 418 T N -0.335 114.052 114.554 -0.278 0.000 2.737 418 T HA -0.140 4.210 4.350 -0.000 0.000 0.265 418 T C 1.948 176.411 174.700 -0.394 0.000 1.038 418 T CA 1.291 63.212 62.100 -0.298 0.000 1.144 418 T CB -0.288 68.392 68.868 -0.313 0.000 0.866 418 T HN 0.330 nan 8.240 nan 0.000 0.434 419 C N 0.408 119.371 119.300 -0.561 0.000 2.507 419 C HA 0.383 4.843 4.460 -0.000 0.000 0.280 419 C C 1.213 175.991 174.990 -0.353 0.000 1.345 419 C CA -0.672 58.019 59.018 -0.546 0.000 1.736 419 C CB -0.823 26.438 27.740 -0.797 0.000 2.060 419 C HN 0.435 nan 8.230 nan 0.000 0.498 420 L N 2.081 123.122 121.223 -0.303 0.000 2.418 420 L HA 0.079 4.418 4.340 -0.000 0.000 0.274 420 L C 1.195 177.965 176.870 -0.167 0.000 1.135 420 L CA -0.140 54.551 54.840 -0.249 0.000 0.870 420 L CB 0.564 42.517 42.059 -0.178 0.000 1.154 420 L HN 0.383 nan 8.230 nan 0.000 0.462 421 L N 2.285 123.359 121.223 -0.248 0.000 2.079 421 L HA -0.214 4.126 4.340 -0.000 0.000 0.210 421 L C 1.545 178.274 176.870 -0.234 0.000 1.081 421 L CA 1.378 56.030 54.840 -0.314 0.000 0.752 421 L CB -0.436 41.205 42.059 -0.697 0.000 0.896 421 L HN 0.812 nan 8.230 nan 0.000 0.433 422 D N -2.055 118.196 120.400 -0.248 0.000 2.336 422 D HA -0.120 4.520 4.640 -0.000 0.000 0.228 422 D C 0.583 176.813 176.300 -0.116 0.000 1.120 422 D CA -0.533 53.358 54.000 -0.182 0.000 0.839 422 D CB -0.607 40.091 40.800 -0.170 0.000 0.932 422 D HN 0.212 nan 8.370 nan 0.000 0.509 423 Y N 2.033 122.234 120.300 -0.166 0.000 2.881 423 Y HA 0.160 4.710 4.550 -0.000 0.000 0.335 423 Y C -0.375 175.462 175.900 -0.104 0.000 1.263 423 Y CA 0.089 58.129 58.100 -0.101 0.000 1.572 423 Y CB 0.362 38.777 38.460 -0.075 0.000 1.237 423 Y HN 0.026 nan 8.280 nan 0.000 0.568 424 D N 8.811 128.657 120.400 -0.924 0.000 2.890 424 D HA 0.192 4.832 4.640 -0.000 0.000 0.233 424 D C -2.354 173.535 176.300 -0.685 0.000 1.306 424 D CA -1.800 51.758 54.000 -0.738 0.000 0.929 424 D CB 2.467 43.070 40.800 -0.328 0.000 1.512 424 D HN 0.302 nan 8.370 nan 0.000 0.568 425 P HA -0.123 nan 4.420 nan 0.000 0.215 425 P C 1.610 179.020 177.300 0.183 0.000 1.153 425 P CA 0.888 64.042 63.100 0.089 0.000 0.853 425 P CB 0.154 31.983 31.700 0.215 0.000 0.788 426 C N -0.273 119.039 119.300 0.019 0.000 2.413 426 C HA -0.072 4.388 4.460 -0.000 0.000 0.277 426 C C 3.110 178.064 174.990 -0.059 0.000 1.228 426 C CA 1.533 60.556 59.018 0.008 0.000 1.731 426 C CB -1.862 25.880 27.740 0.004 0.000 2.042 426 C HN 0.286 nan 8.230 nan 0.000 0.468 427 S N 0.687 116.323 115.700 -0.107 0.000 2.371 427 S HA -0.132 4.338 4.470 -0.000 0.000 0.224 427 S C 1.732 176.176 174.600 -0.261 0.000 1.029 427 S CA 1.501 59.557 58.200 -0.240 0.000 0.978 427 S CB -0.508 62.621 63.200 -0.119 0.000 0.833 427 S HN 0.684 nan 8.310 nan 0.000 0.466 428 N N 0.413 119.088 118.700 -0.040 0.000 2.080 428 N HA -0.074 4.666 4.740 -0.000 0.000 0.189 428 N C 1.449 177.032 175.510 0.122 0.000 1.036 428 N CA 1.612 54.737 53.050 0.126 0.000 0.846 428 N CB -0.351 38.336 38.487 0.333 0.000 1.015 428 N HN 0.413 nan 8.380 nan 0.000 0.423 429 Y N -0.047 120.375 120.300 0.205 0.000 2.314 429 Y HA 0.132 4.682 4.550 -0.000 0.000 0.293 429 Y C 2.413 178.277 175.900 -0.059 0.000 1.129 429 Y CA 1.084 59.304 58.100 0.200 0.000 1.201 429 Y CB -0.667 37.942 38.460 0.249 0.000 0.999 429 Y HN 0.156 nan 8.280 nan 0.000 0.541 430 G N 0.205 108.934 108.800 -0.119 0.000 2.459 430 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.217 430 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.217 430 G C 1.646 176.246 174.900 -0.500 0.000 1.183 430 G CA 1.192 46.069 45.100 -0.370 0.000 0.776 430 G HN 0.320 nan 8.290 nan 0.000 0.552 431 N N -0.235 118.047 118.700 -0.696 0.000 2.216 431 N HA -0.084 4.656 4.740 -0.000 0.000 0.183 431 N C 1.999 177.347 175.510 -0.270 0.000 1.017 431 N CA 0.855 53.615 53.050 -0.485 0.000 0.861 431 N CB -0.194 37.984 38.487 -0.516 0.000 0.986 431 N HN 0.521 nan 8.380 nan 0.000 0.428 432 W N 1.585 122.729 121.300 -0.260 0.000 2.355 432 W HA -0.151 4.509 4.660 -0.000 0.000 0.309 432 W C 2.760 179.008 176.519 -0.452 0.000 1.206 432 W CA 1.906 59.087 57.345 -0.274 0.000 1.284 432 W CB -0.729 28.621 29.460 -0.185 0.000 1.145 432 W HN 0.137 nan 8.180 nan 0.000 0.502 433 T N -3.084 111.258 114.554 -0.353 0.000 2.821 433 T HA -0.321 4.029 4.350 -0.000 0.000 0.267 433 T C 1.584 176.190 174.700 -0.158 0.000 1.046 433 T CA 1.398 63.191 62.100 -0.510 0.000 1.139 433 T CB -1.201 67.422 68.868 -0.409 0.000 0.871 433 T HN 0.286 nan 8.240 nan 0.000 0.454 434 Y N 2.550 122.778 120.300 -0.121 0.000 2.097 434 Y HA -0.008 4.542 4.550 -0.000 0.000 0.282 434 Y C 2.730 178.611 175.900 -0.032 0.000 1.152 434 Y CA 1.599 59.696 58.100 -0.004 0.000 1.136 434 Y CB -0.891 37.622 38.460 0.089 0.000 0.975 434 Y HN 0.256 nan 8.280 nan 0.000 0.498 435 G N -0.558 108.323 108.800 0.135 0.000 2.422 435 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.218 435 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.218 435 G C 1.654 176.568 174.900 0.023 0.000 1.146 435 G CA 0.749 45.878 45.100 0.048 0.000 0.769 435 G HN 0.603 nan 8.290 nan 0.000 0.547 436 A N -0.414 122.407 122.820 0.002 0.000 2.119 436 A HA 0.438 4.758 4.320 -0.000 0.000 0.216 436 A C 2.073 179.716 177.584 0.098 0.000 1.152 436 A CA 1.442 53.542 52.037 0.105 0.000 0.708 436 A CB -0.405 18.612 19.000 0.029 0.000 0.805 436 A HN 1.621 nan 8.150 nan 0.000 0.460 437 G N -1.662 107.132 108.800 -0.011 0.000 2.132 437 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.234 437 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.234 437 G C 0.691 175.598 174.900 0.012 0.000 0.989 437 G CA 0.720 45.810 45.100 -0.016 0.000 0.676 437 G HN 1.694 nan 8.290 nan 0.000 0.522 438 V N -2.687 117.219 119.914 -0.015 0.000 3.159 438 V HA 0.774 4.894 4.120 -0.000 0.000 0.333 438 V C 1.010 177.087 176.094 -0.029 0.000 1.424 438 V CA 1.010 63.318 62.300 0.014 0.000 1.125 438 V CB 0.120 31.987 31.823 0.072 0.000 1.075 438 V HN 1.110 nan 8.190 nan 0.000 0.482 439 G N 0.382 109.160 108.800 -0.036 0.000 3.286 439 G HA2 0.240 4.200 3.960 -0.000 0.000 0.166 439 G HA3 0.240 4.200 3.960 -0.000 0.000 0.166 439 G C -0.473 174.476 174.900 0.081 0.000 1.155 439 G CA -0.672 44.438 45.100 0.018 0.000 0.871 439 G HN 0.302 nan 8.290 nan 0.000 0.637 440 N N 0.844 119.671 118.700 0.211 0.000 2.454 440 N HA 0.010 4.750 4.740 -0.000 0.000 0.254 440 N C -0.304 175.318 175.510 0.186 0.000 1.228 440 N CA 0.734 53.950 53.050 0.277 0.000 0.900 440 N CB 0.466 39.246 38.487 0.488 0.000 1.089 440 N HN 0.443 nan 8.380 nan 0.000 0.449 441 D N 1.161 121.655 120.400 0.156 0.000 2.803 441 D HA -0.114 4.526 4.640 -0.000 0.000 0.233 441 D C -2.241 174.020 176.300 -0.066 0.000 1.182 441 D CA -0.087 53.955 54.000 0.070 0.000 0.726 441 D CB -0.219 40.673 40.800 0.154 0.000 0.987 441 D HN 0.387 nan 8.370 nan 0.000 0.412 442 P HA 0.182 nan 4.420 nan 0.000 0.271 442 P C -0.292 176.984 177.300 -0.040 0.000 1.216 442 P CA 0.190 63.261 63.100 -0.048 0.000 0.776 442 P CB 0.730 32.429 31.700 -0.002 0.000 0.881 443 R N 0.590 121.061 120.500 -0.049 0.000 2.687 443 R HA 0.297 4.637 4.340 -0.000 0.000 0.265 443 R C -0.198 176.096 176.300 -0.011 0.000 1.048 443 R CA -0.797 55.288 56.100 -0.024 0.000 0.884 443 R CB 0.639 30.923 30.300 -0.026 0.000 1.258 443 R HN 0.176 nan 8.270 nan 0.000 0.469 444 E N 0.343 120.543 120.200 0.000 0.000 2.435 444 E HA -0.081 4.269 4.350 -0.000 0.000 0.195 444 E C -0.167 176.449 176.600 0.027 0.000 1.029 444 E CA 1.044 57.450 56.400 0.009 0.000 0.865 444 E CB 0.224 29.922 29.700 -0.003 0.000 0.833 444 E HN 0.598 nan 8.360 nan 0.000 0.510 445 D N 0.219 120.632 120.400 0.022 0.000 2.463 445 D HA -0.027 4.613 4.640 -0.000 0.000 0.224 445 D C 0.277 176.617 176.300 0.066 0.000 1.174 445 D CA -0.274 53.747 54.000 0.034 0.000 0.829 445 D CB -0.308 40.486 40.800 -0.010 0.000 0.993 445 D HN -0.123 nan 8.370 nan 0.000 0.497 446 R N 0.895 121.440 120.500 0.075 0.000 2.893 446 R HA 0.171 4.511 4.340 -0.000 0.000 0.243 446 R C -1.391 175.038 176.300 0.216 0.000 1.481 446 R CA -0.384 55.768 56.100 0.087 0.000 1.250 446 R CB -0.581 29.744 30.300 0.041 0.000 1.213 446 R HN 0.147 nan 8.270 nan 0.000 0.609 447 Y N 3.468 123.801 120.300 0.055 0.000 2.373 447 Y HA 0.342 4.892 4.550 -0.000 0.000 0.336 447 Y C -1.564 174.395 175.900 0.098 0.000 0.979 447 Y CA -1.168 57.024 58.100 0.154 0.000 1.080 447 Y CB 0.986 39.534 38.460 0.146 0.000 1.190 447 Y HN 0.274 nan 8.280 nan 0.000 0.446 448 F N 4.079 123.723 119.950 -0.510 0.000 2.405 448 F HA 0.282 4.809 4.527 -0.000 0.000 0.355 448 F C 0.683 176.207 175.800 -0.459 0.000 1.121 448 F CA -0.601 57.201 58.000 -0.331 0.000 1.112 448 F CB 1.452 40.322 39.000 -0.218 0.000 1.126 448 F HN 0.460 nan 8.300 nan 0.000 0.481 449 S N 4.142 119.867 115.700 0.041 0.000 2.430 449 S HA 0.152 4.622 4.470 -0.000 0.000 0.282 449 S C 1.290 175.969 174.600 0.132 0.000 1.186 449 S CA -0.628 57.679 58.200 0.179 0.000 1.060 449 S CB 0.017 63.355 63.200 0.230 0.000 0.966 449 S HN 0.523 nan 8.310 nan 0.000 0.501 450 I N 7.910 128.548 120.570 0.114 0.000 2.179 450 I HA 0.009 4.179 4.170 -0.000 0.000 0.242 450 I C -0.803 175.344 176.117 0.051 0.000 1.088 450 I CA 0.843 62.172 61.300 0.049 0.000 1.357 450 I CB -1.466 36.523 38.000 -0.017 0.000 1.051 450 I HN 0.533 nan 8.210 nan 0.000 0.409 451 P HA -0.224 nan 4.420 nan 0.000 0.215 451 P C 1.765 179.140 177.300 0.124 0.000 1.157 451 P CA 1.624 64.880 63.100 0.260 0.000 0.874 451 P CB -0.080 31.897 31.700 0.462 0.000 0.790 452 K N -0.430 120.041 120.400 0.118 0.000 2.057 452 K HA -0.192 4.128 4.320 -0.000 0.000 0.207 452 K C 2.165 178.781 176.600 0.028 0.000 1.049 452 K CA 1.254 57.578 56.287 0.063 0.000 0.931 452 K CB -0.225 32.317 32.500 0.070 0.000 0.714 452 K HN -0.004 nan 8.250 nan 0.000 0.440 453 Q N 0.141 119.988 119.800 0.078 0.000 2.079 453 Q HA -0.100 4.240 4.340 -0.000 0.000 0.200 453 Q C 2.175 178.199 176.000 0.040 0.000 0.974 453 Q CA 1.495 57.395 55.803 0.161 0.000 0.840 453 Q CB -0.418 28.430 28.738 0.185 0.000 0.898 453 Q HN 0.420 nan 8.270 nan 0.000 0.430 454 A N 1.005 123.741 122.820 -0.140 0.000 1.892 454 A HA -0.279 4.041 4.320 -0.000 0.000 0.218 454 A C 2.160 179.573 177.584 -0.286 0.000 1.188 454 A CA 2.059 53.828 52.037 -0.447 0.000 0.631 454 A CB -0.546 17.893 19.000 -0.936 0.000 0.822 454 A HN 0.307 nan 8.150 nan 0.000 0.447 455 Q N 0.064 119.770 119.800 -0.157 0.000 2.119 455 Q HA -0.109 4.231 4.340 -0.000 0.000 0.201 455 Q C 1.569 177.488 176.000 -0.136 0.000 0.972 455 Q CA 2.137 57.893 55.803 -0.079 0.000 0.847 455 Q CB -0.311 28.416 28.738 -0.019 0.000 0.903 455 Q HN 0.668 nan 8.270 nan 0.000 0.433 456 N N -1.310 117.240 118.700 -0.251 0.000 2.333 456 N HA -0.044 4.696 4.740 -0.000 0.000 0.178 456 N C 0.418 175.511 175.510 -0.695 0.000 1.018 456 N CA 0.966 53.700 53.050 -0.528 0.000 0.882 456 N CB 0.041 38.067 38.487 -0.767 0.000 0.984 456 N HN 0.345 nan 8.380 nan 0.000 0.434 457 Y N -0.984 119.279 120.300 -0.061 0.000 2.500 457 Y HA 0.318 4.868 4.550 -0.000 0.000 0.246 457 Y C 0.025 175.888 175.900 -0.061 0.000 1.146 457 Y CA -0.480 57.571 58.100 -0.083 0.000 1.230 457 Y CB 0.729 39.118 38.460 -0.119 0.000 1.214 457 Y HN -0.150 nan 8.280 nan 0.000 0.526 458 D N -0.076 120.373 120.400 0.083 0.000 3.060 458 D HA 0.191 4.831 4.640 -0.000 0.000 0.326 458 D C -2.166 174.245 176.300 0.187 0.000 1.253 458 D CA -1.866 52.238 54.000 0.174 0.000 0.737 458 D CB 0.745 41.753 40.800 0.346 0.000 1.260 458 D HN -0.083 nan 8.370 nan 0.000 0.542 459 P HA -0.100 nan 4.420 nan 0.000 0.218 459 P C 0.663 178.024 177.300 0.101 0.000 1.149 459 P CA 0.995 64.138 63.100 0.071 0.000 0.817 459 P CB 0.523 32.231 31.700 0.013 0.000 0.785 460 E N -1.246 119.007 120.200 0.088 0.000 2.474 460 E HA 0.174 4.524 4.350 -0.000 0.000 0.195 460 E C 1.441 178.068 176.600 0.044 0.000 1.039 460 E CA 0.451 56.888 56.400 0.062 0.000 0.881 460 E CB -0.515 29.211 29.700 0.042 0.000 0.970 460 E HN 0.268 nan 8.360 nan 0.000 0.486 461 G N 2.230 111.071 108.800 0.068 0.000 2.168 461 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.257 461 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.257 461 G C 0.937 175.823 174.900 -0.023 0.000 0.997 461 G CA 0.924 45.969 45.100 -0.091 0.000 0.708 461 G HN 0.294 nan 8.290 nan 0.000 0.520 462 E N -0.975 119.264 120.200 0.064 0.000 2.077 462 E HA -0.065 4.285 4.350 -0.000 0.000 0.193 462 E C 1.871 178.552 176.600 0.135 0.000 0.989 462 E CA 1.771 58.218 56.400 0.079 0.000 0.800 462 E CB -0.286 29.460 29.700 0.078 0.000 0.746 462 E HN 0.736 nan 8.360 nan 0.000 0.452 463 Y N 0.353 120.702 120.300 0.081 0.000 2.114 463 Y HA -0.217 4.333 4.550 -0.000 0.000 0.284 463 Y C 2.114 178.149 175.900 0.226 0.000 1.143 463 Y CA 1.907 60.103 58.100 0.161 0.000 1.135 463 Y CB -0.599 37.952 38.460 0.152 0.000 0.980 463 Y HN 0.028 nan 8.280 nan 0.000 0.499 464 V N -0.681 119.249 119.914 0.028 0.000 2.407 464 V HA -0.156 3.964 4.120 -0.000 0.000 0.248 464 V C 2.370 178.390 176.094 -0.123 0.000 1.055 464 V CA 1.777 64.009 62.300 -0.113 0.000 1.049 464 V CB -1.973 29.748 31.823 -0.169 0.000 0.662 464 V HN 0.442 nan 8.190 nan 0.000 0.455 465 A N -0.162 122.598 122.820 -0.099 0.000 1.969 465 A HA -0.067 4.253 4.320 -0.000 0.000 0.218 465 A C 2.076 179.615 177.584 -0.076 0.000 1.169 465 A CA 1.698 53.684 52.037 -0.086 0.000 0.635 465 A CB -0.823 18.140 19.000 -0.063 0.000 0.810 465 A HN 0.664 nan 8.150 nan 0.000 0.445 466 F N -1.219 118.602 119.950 -0.215 0.000 2.134 466 F HA -0.163 4.364 4.527 -0.000 0.000 0.299 466 F C 1.885 177.408 175.800 -0.461 0.000 1.097 466 F CA 1.800 59.592 58.000 -0.346 0.000 1.264 466 F CB -0.186 38.561 39.000 -0.421 0.000 1.001 466 F HN 0.385 nan 8.300 nan 0.000 0.479 467 W N 0.178 121.351 121.300 -0.212 0.000 2.640 467 W HA 0.219 4.879 4.660 -0.000 0.000 0.268 467 W C 0.036 176.428 176.519 -0.211 0.000 1.263 467 W CA 0.101 57.289 57.345 -0.261 0.000 1.344 467 W CB 0.134 29.448 29.460 -0.243 0.000 1.093 467 W HN -0.250 nan 8.180 nan 0.000 0.603 468 L N 2.690 123.916 121.223 0.005 0.000 2.435 468 L HA 0.183 4.523 4.340 -0.000 0.000 0.253 468 L C 1.645 178.482 176.870 -0.054 0.000 1.087 468 L CA -0.401 54.439 54.840 0.000 0.000 0.950 468 L CB 0.630 42.680 42.059 -0.015 0.000 1.304 468 L HN 0.059 nan 8.230 nan 0.000 0.453 469 Q N 1.989 121.746 119.800 -0.072 0.000 2.234 469 Q HA -0.239 4.101 4.340 -0.000 0.000 0.206 469 Q C 1.489 177.458 176.000 -0.052 0.000 0.980 469 Q CA 1.409 57.156 55.803 -0.094 0.000 0.869 469 Q CB -0.165 28.506 28.738 -0.112 0.000 0.912 469 Q HN 0.811 nan 8.270 nan 0.000 0.436 470 Q N 1.027 120.818 119.800 -0.015 0.000 2.364 470 Q HA -0.092 4.248 4.340 -0.000 0.000 0.209 470 Q C 1.843 177.836 176.000 -0.012 0.000 0.977 470 Q CA 1.061 56.868 55.803 0.007 0.000 0.885 470 Q CB -0.401 28.372 28.738 0.060 0.000 0.941 470 Q HN 0.510 nan 8.270 nan 0.000 0.464 471 L N 0.005 121.197 121.223 -0.052 0.000 2.509 471 L HA 0.112 4.452 4.340 -0.000 0.000 0.222 471 L C 2.523 179.348 176.870 -0.075 0.000 1.123 471 L CA 0.116 54.901 54.840 -0.091 0.000 0.856 471 L CB -0.173 41.781 42.059 -0.176 0.000 0.985 471 L HN 0.103 nan 8.230 nan 0.000 0.456 472 R N 1.066 121.529 120.500 -0.061 0.000 2.105 472 R HA -0.177 4.163 4.340 -0.000 0.000 0.239 472 R C 2.253 178.534 176.300 -0.033 0.000 1.135 472 R CA 1.613 57.684 56.100 -0.048 0.000 0.967 472 R CB -0.334 29.938 30.300 -0.048 0.000 0.861 472 R HN 0.478 nan 8.270 nan 0.000 0.442 473 R N 0.692 121.176 120.500 -0.027 0.000 2.276 473 R HA 0.055 4.395 4.340 -0.000 0.000 0.203 473 R C 0.353 176.645 176.300 -0.012 0.000 1.017 473 R CA 0.403 56.494 56.100 -0.016 0.000 1.010 473 R CB -0.196 30.098 30.300 -0.011 0.000 0.900 473 R HN 0.070 nan 8.270 nan 0.000 0.469 474 L N 2.810 124.021 121.223 -0.020 0.000 2.375 474 L HA 0.392 4.732 4.340 -0.000 0.000 0.271 474 L C -1.880 174.982 176.870 -0.012 0.000 1.107 474 L CA -2.653 52.179 54.840 -0.014 0.000 0.806 474 L CB 0.706 42.751 42.059 -0.024 0.000 1.146 474 L HN 0.000 nan 8.230 nan 0.000 0.447 475 P HA 0.067 nan 4.420 nan 0.000 0.274 475 P C -0.150 177.158 177.300 0.013 0.000 1.246 475 P CA -0.607 62.499 63.100 0.011 0.000 0.795 475 P CB 0.615 32.328 31.700 0.022 0.000 1.006 476 K N 1.327 121.740 120.400 0.021 0.000 2.074 476 K HA -0.218 4.102 4.320 -0.000 0.000 0.209 476 K C 1.429 178.069 176.600 0.066 0.000 1.048 476 K CA 1.819 58.124 56.287 0.030 0.000 0.926 476 K CB -0.524 32.006 32.500 0.050 0.000 0.713 476 K HN 0.383 nan 8.250 nan 0.000 0.444 477 E N 1.214 121.470 120.200 0.093 0.000 2.152 477 E HA -0.132 4.218 4.350 -0.000 0.000 0.192 477 E C 1.531 178.240 176.600 0.182 0.000 0.983 477 E CA 0.845 57.340 56.400 0.158 0.000 0.818 477 E CB -0.107 29.674 29.700 0.135 0.000 0.758 477 E HN 0.336 nan 8.360 nan 0.000 0.467 478 K N 0.895 121.359 120.400 0.106 0.000 2.305 478 K HA 0.091 4.411 4.320 -0.000 0.000 0.199 478 K C 2.123 178.731 176.600 0.014 0.000 1.047 478 K CA 0.236 56.578 56.287 0.092 0.000 0.976 478 K CB -0.037 32.496 32.500 0.056 0.000 0.765 478 K HN 0.142 nan 8.250 nan 0.000 0.474 479 R N 0.179 120.645 120.500 -0.057 0.000 2.120 479 R HA -0.082 4.258 4.340 -0.000 0.000 0.234 479 R C 1.607 177.691 176.300 -0.361 0.000 1.123 479 R CA 0.974 56.946 56.100 -0.215 0.000 0.975 479 R CB -0.173 29.976 30.300 -0.251 0.000 0.866 479 R HN 0.336 nan 8.270 nan 0.000 0.446 480 H N -2.272 116.708 119.070 -0.150 0.000 2.592 480 H HA 0.067 4.623 4.556 -0.000 0.000 0.265 480 H C -0.062 174.866 175.328 -0.666 0.000 0.955 480 H CA 0.318 56.135 56.048 -0.384 0.000 1.175 480 H CB 0.364 29.902 29.762 -0.372 0.000 1.433 480 H HN 0.157 nan 8.280 nan 0.000 0.537 481 W N 2.299 123.662 121.300 0.104 0.000 1.890 481 W HA 0.274 4.934 4.660 -0.000 0.000 0.293 481 W C -1.855 174.687 176.519 0.038 0.000 0.895 481 W CA -1.480 55.913 57.345 0.080 0.000 1.968 481 W CB 1.106 30.622 29.460 0.093 0.000 2.198 481 W HN -0.010 nan 8.180 nan 0.000 0.401 482 P HA 0.111 nan 4.420 nan 0.000 0.227 482 P C 0.962 178.345 177.300 0.139 0.000 1.161 482 P CA 1.314 64.469 63.100 0.092 0.000 0.788 482 P CB 0.913 32.606 31.700 -0.011 0.000 0.822 483 G N 0.692 109.600 108.800 0.180 0.000 2.746 483 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.685 483 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.685 483 G C 0.608 175.589 174.900 0.136 0.000 1.350 483 G CA -0.242 44.948 45.100 0.151 0.000 0.837 483 G HN 0.147 nan 8.290 nan 0.000 0.564 484 R N -0.260 120.296 120.500 0.092 0.000 2.075 484 R HA 0.071 4.411 4.340 -0.000 0.000 0.232 484 R C 2.645 178.970 176.300 0.041 0.000 1.126 484 R CA 1.683 57.817 56.100 0.056 0.000 0.963 484 R CB -0.221 30.100 30.300 0.034 0.000 0.858 484 R HN 0.487 nan 8.270 nan 0.000 0.435 485 L N -0.032 121.219 121.223 0.045 0.000 2.240 485 L HA 0.003 4.343 4.340 -0.000 0.000 0.211 485 L C 2.252 179.148 176.870 0.044 0.000 1.106 485 L CA 0.891 55.750 54.840 0.032 0.000 0.793 485 L CB -0.123 41.953 42.059 0.028 0.000 0.927 485 L HN 0.216 nan 8.230 nan 0.000 0.446 486 M N -2.501 117.142 119.600 0.072 0.000 2.509 486 M HA -0.031 4.449 4.480 -0.000 0.000 0.250 486 M C 1.237 177.632 176.300 0.158 0.000 1.132 486 M CA 0.894 56.246 55.300 0.087 0.000 1.080 486 M CB 0.341 32.986 32.600 0.075 0.000 1.408 486 M HN 0.215 nan 8.290 nan 0.000 0.484 487 Y N 0.504 120.800 120.300 -0.008 0.000 2.977 487 Y HA 0.474 5.024 4.550 -0.000 0.000 0.130 487 Y C -0.367 175.518 175.900 -0.025 0.000 0.885 487 Y CA -0.458 57.629 58.100 -0.021 0.000 1.879 487 Y CB 0.663 39.106 38.460 -0.029 0.000 1.258 487 Y HN 0.011 nan 8.280 nan 0.000 0.284 488 M N -0.411 119.038 119.600 -0.251 0.000 2.949 488 M HA 0.393 4.873 4.480 -0.000 0.000 0.270 488 M C -1.939 174.286 176.300 -0.126 0.000 1.221 488 M CA -0.984 54.152 55.300 -0.274 0.000 0.818 488 M CB 1.732 34.044 32.600 -0.480 0.000 1.635 488 M HN 0.061 nan 8.290 nan 0.000 0.492 489 D N 2.781 123.123 120.400 -0.096 0.000 2.400 489 D HA 0.316 4.956 4.640 -0.000 0.000 0.238 489 D C -0.140 176.118 176.300 -0.070 0.000 1.157 489 D CA 0.683 54.653 54.000 -0.050 0.000 0.889 489 D CB 1.219 42.003 40.800 -0.027 0.000 1.199 489 D HN 0.689 nan 8.370 nan 0.000 0.436 490 T N -1.906 112.613 114.554 -0.058 0.000 2.856 490 T HA 0.192 4.542 4.350 -0.000 0.000 0.292 490 T C 0.976 175.720 174.700 0.073 0.000 0.980 490 T CA -0.874 61.179 62.100 -0.079 0.000 1.091 490 T CB 1.443 70.215 68.868 -0.161 0.000 0.936 490 T HN 0.094 nan 8.240 nan 0.000 0.503 491 V N 2.783 122.793 119.914 0.161 0.000 2.719 491 V HA 0.157 4.277 4.120 -0.000 0.000 0.252 491 V C 0.702 176.912 176.094 0.194 0.000 1.065 491 V CA 1.584 63.986 62.300 0.170 0.000 1.086 491 V CB -0.279 31.659 31.823 0.193 0.000 0.700 491 V HN 0.905 nan 8.190 nan 0.000 0.467 492 V N -2.879 117.214 119.914 0.297 0.000 3.147 492 V HA 0.700 4.820 4.120 -0.000 0.000 0.306 492 V C -2.968 173.322 176.094 0.327 0.000 1.209 492 V CA -2.039 60.397 62.300 0.227 0.000 1.023 492 V CB 1.507 33.399 31.823 0.116 0.000 1.059 492 V HN 0.085 nan 8.190 nan 0.000 0.435 493 P HA 0.450 nan 4.420 nan 0.000 0.276 493 P C -0.607 176.799 177.300 0.178 0.000 1.244 493 P CA -0.496 62.751 63.100 0.244 0.000 0.801 493 P CB 0.958 32.740 31.700 0.136 0.000 1.006 494 L N 2.007 123.355 121.223 0.208 0.000 2.367 494 L HA 0.154 4.494 4.340 -0.000 0.000 0.275 494 L C 2.119 179.007 176.870 0.030 0.000 1.129 494 L CA -0.132 54.781 54.840 0.121 0.000 0.839 494 L CB 0.241 42.422 42.059 0.203 0.000 1.133 494 L HN 0.535 nan 8.230 nan 0.000 0.453 495 K N 1.880 122.239 120.400 -0.068 0.000 2.097 495 K HA -0.063 4.257 4.320 -0.000 0.000 0.206 495 K C 0.226 176.429 176.600 -0.662 0.000 1.049 495 K CA 1.110 57.155 56.287 -0.403 0.000 0.933 495 K CB 0.237 32.389 32.500 -0.579 0.000 0.717 495 K HN 0.543 nan 8.250 nan 0.000 0.442 496 H N -1.926 117.114 119.070 -0.050 0.000 2.928 496 H HA 0.463 5.019 4.556 -0.000 0.000 0.371 496 H C 0.139 175.566 175.328 0.165 0.000 1.186 496 H CA -0.106 55.928 56.048 -0.023 0.000 1.134 496 H CB 1.841 31.485 29.762 -0.198 0.000 1.824 496 H HN 0.374 nan 8.280 nan 0.000 0.554 497 G N 0.000 108.955 108.800 0.259 0.000 5.446 497 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 497 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 497 G CA 0.000 45.235 45.100 0.226 0.000 0.502 497 G HN 0.000 nan 8.290 nan 0.000 0.925