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 1aet_1_A DATA FIRST_RESID 4 DATA SEQUENCE LVHVASVEKG RSYEDFQKVY NAIALKLRED DEYDNYIGYG PVLVRLAWHI DATA SEQUENCE SGTWDKHDNT GGSYGGTYRF KKEFNDPSNA GLQNGFKFLE PIHKEFPWIS DATA SEQUENCE SGDLFSLGGV TAVQEMQGPK IPWRCGRVDT PEDTTPDNGR LPDADKDAGY DATA SEQUENCE VRTFFQRLNM NDREVVALMG AHALGKTHLK NSGYEGPGGA ANNVFTNEFY DATA SEQUENCE LNLLNEDWKL EKNDANNEQW DSKSGYMMLP TDYSLIQDPK YLSIVKEYAN DATA SEQUENCE DQDKFFKDFS KAFEKLLEDG ITFPKDAPSP FIFKTLEEQG L 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 4 L HA 0.000 nan 4.340 nan 0.000 0.249 4 L C 0.000 176.664 176.870 -0.344 0.000 1.165 4 L CA 0.000 54.693 54.840 -0.245 0.000 0.813 4 L CB 0.000 41.864 42.059 -0.324 0.000 0.961 5 V N 1.752 121.439 119.914 -0.379 0.000 2.513 5 V HA 0.314 nan 4.120 nan 0.000 0.299 5 V C -1.280 174.500 176.094 -0.523 0.000 1.035 5 V CA -1.270 60.819 62.300 -0.352 0.000 0.889 5 V CB 1.890 33.598 31.823 -0.192 0.000 0.988 5 V HN 0.029 8.034 8.190 -0.308 0.000 0.440 6 H N 5.301 124.162 119.070 -0.348 0.000 2.887 6 H HA 0.263 nan 4.556 nan 0.000 0.300 6 H C -1.407 173.554 175.328 -0.610 0.000 1.038 6 H CA -1.050 54.581 56.048 -0.696 0.000 1.352 6 H CB 1.109 30.075 29.762 -1.327 0.000 1.473 6 H HN 0.444 8.520 8.280 -0.339 0.000 0.503 7 V N 4.408 124.199 119.914 -0.205 0.000 2.465 7 V HA 0.291 nan 4.120 nan 0.000 0.279 7 V C -0.810 175.276 176.094 -0.015 0.000 1.045 7 V CA -0.987 61.231 62.300 -0.136 0.000 0.938 7 V CB 0.718 32.505 31.823 -0.061 0.000 0.986 7 V HN 0.720 8.850 8.190 -0.100 0.000 0.467 8 A N 8.085 130.821 122.820 -0.140 0.000 2.488 8 A HA 0.139 nan 4.320 nan 0.000 0.249 8 A C -1.438 176.182 177.584 0.060 0.000 1.083 8 A CA 0.270 52.291 52.037 -0.025 0.000 0.768 8 A CB 0.331 19.166 19.000 -0.276 0.000 1.017 8 A HN 0.510 8.458 8.150 -0.336 0.000 0.496 9 S N 3.857 119.620 115.700 0.106 0.000 2.669 9 S HA 0.071 nan 4.470 nan 0.000 0.315 9 S C -0.645 174.030 174.600 0.123 0.000 1.106 9 S CA -1.020 57.241 58.200 0.102 0.000 1.107 9 S CB 1.100 64.362 63.200 0.102 0.000 0.990 9 S HN 0.063 8.369 8.310 0.120 0.075 0.471 10 V N 6.785 126.784 119.914 0.141 0.000 2.617 10 V HA -0.127 nan 4.120 nan 0.000 0.304 10 V C 0.355 176.578 176.094 0.216 0.000 1.040 10 V CA 0.426 62.849 62.300 0.204 0.000 1.149 10 V CB 0.208 32.155 31.823 0.207 0.000 0.914 10 V HN 0.172 8.435 8.190 0.122 0.000 0.487 11 E N 6.081 126.465 120.200 0.307 0.000 2.585 11 E HA -0.198 nan 4.350 nan 0.000 0.252 11 E C -0.473 176.218 176.600 0.153 0.000 0.981 11 E CA 0.764 57.327 56.400 0.272 0.000 0.943 11 E CB 0.377 30.338 29.700 0.435 0.000 0.923 11 E HN 0.286 8.897 8.360 0.418 0.000 0.486 12 K N 6.696 127.158 120.400 0.103 0.000 2.430 12 K HA -0.313 nan 4.320 nan 0.000 0.280 12 K C 0.478 177.067 176.600 -0.020 0.000 1.063 12 K CA 1.528 57.844 56.287 0.049 0.000 1.071 12 K CB -0.083 32.446 32.500 0.047 0.000 0.899 12 K HN 0.547 8.869 8.250 0.120 0.000 0.473 13 G N 3.768 112.557 108.800 -0.017 0.000 2.176 13 G HA2 -0.313 nan 3.960 nan 0.000 0.253 13 G HA3 -0.313 nan 3.960 nan 0.000 0.253 13 G C -0.180 174.648 174.900 -0.120 0.000 0.979 13 G CA -0.080 44.983 45.100 -0.061 0.000 0.641 13 G HN 0.290 8.595 8.290 0.024 0.000 0.530 14 R N 0.404 120.829 120.500 -0.123 0.000 2.404 14 R HA 0.345 nan 4.340 nan 0.000 0.291 14 R C -0.800 175.519 176.300 0.032 0.000 1.025 14 R CA -1.559 54.402 56.100 -0.232 0.000 0.991 14 R CB 0.986 30.999 30.300 -0.478 0.000 1.053 14 R HN -0.389 7.803 8.270 -0.042 0.052 0.479 15 S N 3.884 119.575 115.700 -0.015 0.000 2.823 15 S HA 0.402 nan 4.470 nan 0.000 0.316 15 S C 0.223 174.905 174.600 0.136 0.000 1.116 15 S CA -1.320 56.979 58.200 0.165 0.000 0.911 15 S CB 2.073 65.327 63.200 0.091 0.000 1.276 15 S HN 0.231 8.763 8.310 -0.181 -0.331 0.565 16 Y N 2.146 122.383 120.300 -0.106 0.000 2.102 16 Y HA -0.466 nan 4.550 nan 0.000 0.280 16 Y C 1.130 176.955 175.900 -0.125 0.000 1.178 16 Y CA 3.897 61.727 58.100 -0.450 0.000 1.146 16 Y CB 0.025 38.258 38.460 -0.379 0.000 0.968 16 Y HN 0.487 8.898 8.280 0.218 0.000 0.504 17 E N -2.956 117.036 120.200 -0.346 0.000 2.160 17 E HA -0.397 nan 4.350 nan 0.000 0.195 17 E C 2.475 178.911 176.600 -0.274 0.000 0.991 17 E CA 3.194 59.383 56.400 -0.351 0.000 0.810 17 E CB -0.936 28.680 29.700 -0.139 0.000 0.742 17 E HN 0.193 8.512 8.360 -0.068 0.000 0.466 18 D N -0.177 120.067 120.400 -0.260 0.000 2.097 18 D HA -0.237 nan 4.640 nan 0.000 0.195 18 D C 2.393 178.560 176.300 -0.221 0.000 0.989 18 D CA 3.369 57.191 54.000 -0.297 0.000 0.827 18 D CB -0.186 40.226 40.800 -0.646 0.000 0.966 18 D HN -0.465 7.762 8.370 -0.239 0.000 0.456 19 F N -0.752 119.186 119.950 -0.020 0.000 2.186 19 F HA -0.239 nan 4.527 nan 0.000 0.299 19 F C 2.011 177.567 175.800 -0.406 0.000 1.090 19 F CA 3.161 61.130 58.000 -0.051 0.000 1.307 19 F CB -0.358 38.793 39.000 0.252 0.000 1.019 19 F HN -0.763 7.456 8.300 -0.135 0.000 0.489 20 Q N -0.712 118.940 119.800 -0.247 0.000 2.181 20 Q HA -0.391 nan 4.340 nan 0.000 0.205 20 Q C 2.035 177.870 176.000 -0.275 0.000 0.980 20 Q CA 3.175 58.757 55.803 -0.368 0.000 0.862 20 Q CB -0.686 27.778 28.738 -0.456 0.000 0.905 20 Q HN 0.217 8.335 8.270 -0.253 0.000 0.429 21 K N -0.722 119.528 120.400 -0.249 0.000 2.103 21 K HA -0.235 nan 4.320 nan 0.000 0.204 21 K C 2.413 178.734 176.600 -0.465 0.000 1.052 21 K CA 3.230 59.388 56.287 -0.215 0.000 0.945 21 K CB -0.154 32.300 32.500 -0.077 0.000 0.722 21 K HN -0.563 7.439 8.250 -0.239 0.104 0.443 22 V N 0.620 120.088 119.914 -0.744 0.000 2.358 22 V HA -0.358 nan 4.120 nan 0.000 0.246 22 V C 1.722 177.519 176.094 -0.496 0.000 1.047 22 V CA 4.503 66.244 62.300 -0.932 0.000 1.035 22 V CB -1.060 30.282 31.823 -0.801 0.000 0.658 22 V HN -0.586 7.258 8.190 -0.577 0.000 0.452 23 Y N -0.082 119.867 120.300 -0.585 0.000 2.097 23 Y HA -0.592 nan 4.550 nan 0.000 0.282 23 Y C 1.499 177.215 175.900 -0.306 0.000 1.152 23 Y CA 3.414 61.201 58.100 -0.522 0.000 1.136 23 Y CB -0.180 37.810 38.460 -0.782 0.000 0.975 23 Y HN 0.088 8.103 8.280 -0.442 0.000 0.498 24 N N -0.870 117.865 118.700 0.058 0.000 2.149 24 N HA -0.529 nan 4.740 nan 0.000 0.188 24 N C 2.059 177.545 175.510 -0.039 0.000 1.019 24 N CA 3.120 56.200 53.050 0.050 0.000 0.857 24 N CB -0.156 38.352 38.487 0.036 0.000 0.997 24 N HN 0.109 8.508 8.380 0.032 0.000 0.426 25 A N 0.473 123.249 122.820 -0.072 0.000 1.902 25 A HA -0.248 nan 4.320 nan 0.000 0.217 25 A C 2.040 179.560 177.584 -0.107 0.000 1.181 25 A CA 2.997 55.012 52.037 -0.037 0.000 0.623 25 A CB -0.616 18.444 19.000 0.101 0.000 0.818 25 A HN -0.187 7.891 8.150 -0.119 0.000 0.443 26 I N -1.362 119.108 120.570 -0.166 0.000 2.142 26 I HA -0.596 nan 4.170 nan 0.000 0.240 26 I C 1.773 177.845 176.117 -0.076 0.000 1.078 26 I CA 4.050 65.277 61.300 -0.122 0.000 1.343 26 I CB -0.293 37.592 38.000 -0.190 0.000 1.046 26 I HN -0.253 7.827 8.210 -0.217 0.000 0.405 27 A N -0.207 122.500 122.820 -0.188 0.000 1.933 27 A HA -0.269 nan 4.320 nan 0.000 0.218 27 A C 2.206 179.780 177.584 -0.017 0.000 1.175 27 A CA 3.259 55.220 52.037 -0.126 0.000 0.628 27 A CB -0.699 18.206 19.000 -0.157 0.000 0.814 27 A HN 0.027 7.997 8.150 -0.299 0.000 0.444 28 L N -2.093 119.120 121.223 -0.017 0.000 2.056 28 L HA -0.283 nan 4.340 nan 0.000 0.207 28 L C 2.056 178.928 176.870 0.003 0.000 1.078 28 L CA 2.336 57.177 54.840 0.001 0.000 0.749 28 L CB -1.179 40.875 42.059 -0.009 0.000 0.901 28 L HN -0.028 8.180 8.230 -0.037 0.000 0.433 29 K N -0.112 120.269 120.400 -0.031 0.000 2.217 29 K HA -0.229 nan 4.320 nan 0.000 0.202 29 K C 2.519 179.228 176.600 0.183 0.000 1.051 29 K CA 3.161 59.409 56.287 -0.066 0.000 0.952 29 K CB -0.200 32.063 32.500 -0.395 0.000 0.736 29 K HN -0.608 7.605 8.250 -0.061 0.000 0.453 30 L N -1.649 119.748 121.223 0.289 0.000 2.046 30 L HA -0.374 nan 4.340 nan 0.000 0.208 30 L C 1.871 178.840 176.870 0.165 0.000 1.077 30 L CA 2.956 57.952 54.840 0.260 0.000 0.747 30 L CB -0.322 41.802 42.059 0.109 0.000 0.896 30 L HN 0.059 8.419 8.230 0.217 0.000 0.432 31 R N -2.565 118.000 120.500 0.108 0.000 2.081 31 R HA -0.290 nan 4.340 nan 0.000 0.235 31 R C 2.138 178.495 176.300 0.094 0.000 1.131 31 R CA 2.617 58.770 56.100 0.088 0.000 0.960 31 R CB 0.076 30.413 30.300 0.063 0.000 0.856 31 R HN -0.514 7.809 8.270 0.088 0.000 0.436 32 E N -1.258 118.994 120.200 0.087 0.000 2.028 32 E HA -0.210 nan 4.350 nan 0.000 0.191 32 E C 2.045 178.709 176.600 0.107 0.000 0.988 32 E CA 2.484 58.929 56.400 0.075 0.000 0.799 32 E CB 0.200 29.920 29.700 0.035 0.000 0.755 32 E HN -0.394 8.013 8.360 0.078 0.000 0.447 33 D N 0.103 120.602 120.400 0.166 0.000 3.008 33 D HA 0.128 nan 4.640 nan 0.000 0.242 33 D C -0.011 176.414 176.300 0.210 0.000 1.222 33 D CA -0.407 53.731 54.000 0.230 0.000 0.883 33 D CB -1.949 39.082 40.800 0.385 0.000 1.110 33 D HN -0.263 8.221 8.370 0.189 0.000 0.455 34 D N -1.699 118.769 120.400 0.113 0.000 2.378 34 D HA -0.270 nan 4.640 nan 0.000 0.227 34 D C -0.026 176.177 176.300 -0.162 0.000 1.012 34 D CA 1.952 55.988 54.000 0.059 0.000 0.905 34 D CB -0.430 40.441 40.800 0.118 0.000 0.895 34 D HN -0.185 8.155 8.370 0.112 0.098 0.532 35 E N -2.762 117.250 120.200 -0.314 0.000 2.318 35 E HA -0.243 nan 4.350 nan 0.000 0.193 35 E C 0.238 176.498 176.600 -0.566 0.000 0.998 35 E CA -0.016 55.852 56.400 -0.885 0.000 0.859 35 E CB -0.954 28.430 29.700 -0.527 0.000 0.812 35 E HN -0.026 8.187 8.360 -0.109 0.082 0.492 36 Y N 4.090 124.161 120.300 -0.382 0.000 2.811 36 Y HA -0.375 nan 4.550 nan 0.000 0.334 36 Y C -1.079 174.625 175.900 -0.326 0.000 1.247 36 Y CA 1.994 59.858 58.100 -0.393 0.000 1.526 36 Y CB 0.374 38.371 38.460 -0.771 0.000 1.284 36 Y HN -0.988 7.255 8.280 -0.062 0.000 0.586 37 D N 6.487 126.319 120.400 -0.946 0.000 2.812 37 D HA -0.472 nan 4.640 nan 0.000 0.237 37 D C -0.955 175.192 176.300 -0.255 0.000 1.162 37 D CA 1.093 54.702 54.000 -0.652 0.000 0.740 37 D CB -0.844 39.509 40.800 -0.745 0.000 1.000 37 D HN 0.452 8.192 8.370 -1.049 0.000 0.416 38 N N -2.802 115.807 118.700 -0.151 0.000 2.714 38 N HA -0.420 nan 4.740 nan 0.000 0.252 38 N C -0.915 174.709 175.510 0.190 0.000 1.014 38 N CA 1.331 54.414 53.050 0.054 0.000 0.735 38 N CB -1.041 37.478 38.487 0.052 0.000 0.924 38 N HN 0.426 8.691 8.380 -0.192 0.000 0.540 39 Y N -9.451 110.823 120.300 -0.043 0.000 4.490 39 Y HA -0.483 nan 4.550 nan 0.000 0.233 39 Y C 0.217 176.115 175.900 -0.004 0.000 1.101 39 Y CA 1.451 59.546 58.100 -0.008 0.000 2.010 39 Y CB -2.245 36.217 38.460 0.005 0.000 1.622 39 Y HN -0.062 7.921 8.280 -0.338 0.094 0.675 40 I N -2.533 118.057 120.570 0.032 0.000 2.353 40 I HA -0.301 nan 4.170 nan 0.000 0.248 40 I C 0.685 176.818 176.117 0.028 0.000 1.119 40 I CA 1.946 63.262 61.300 0.027 0.000 1.417 40 I CB 0.612 38.608 38.000 -0.006 0.000 1.078 40 I HN -0.663 7.466 8.210 -0.026 0.066 0.421 41 G N -2.837 105.963 108.800 -0.001 0.000 2.757 41 G HA2 -0.275 nan 3.960 nan 0.000 0.638 41 G HA3 -0.275 nan 3.960 nan 0.000 0.638 41 G C -0.619 174.287 174.900 0.010 0.000 1.344 41 G CA -0.597 44.518 45.100 0.025 0.000 0.855 41 G HN -0.490 7.764 8.290 -0.060 0.000 0.537 42 Y N -0.146 120.105 120.300 -0.081 0.000 2.529 42 Y HA -0.095 nan 4.550 nan 0.000 0.290 42 Y C 1.406 177.128 175.900 -0.297 0.000 1.177 42 Y CA 1.403 59.302 58.100 -0.335 0.000 1.305 42 Y CB -0.307 37.589 38.460 -0.940 0.000 1.047 42 Y HN 0.493 8.872 8.280 0.165 0.000 0.522 43 G N 0.559 109.328 108.800 -0.052 0.000 2.514 43 G HA2 -0.335 nan 3.960 nan 0.000 0.217 43 G HA3 -0.335 nan 3.960 nan 0.000 0.217 43 G C -1.270 173.622 174.900 -0.012 0.000 1.198 43 G CA 2.439 47.511 45.100 -0.048 0.000 0.780 43 G HN 0.630 8.866 8.290 -0.014 0.046 0.565 44 P HA -0.207 nan 4.420 nan 0.000 0.215 44 P C 0.876 178.213 177.300 0.061 0.000 1.157 44 P CA 2.720 65.849 63.100 0.049 0.000 0.868 44 P CB -0.558 31.175 31.700 0.055 0.000 0.788 45 V N -3.465 116.484 119.914 0.059 0.000 2.626 45 V HA -0.263 nan 4.120 nan 0.000 0.252 45 V C 1.601 177.694 176.094 -0.001 0.000 1.067 45 V CA 2.852 65.181 62.300 0.049 0.000 1.081 45 V CB -0.593 31.281 31.823 0.085 0.000 0.686 45 V HN -0.188 8.042 8.190 0.067 0.000 0.468 46 L N -1.370 119.834 121.223 -0.033 0.000 2.109 46 L HA -0.259 nan 4.340 nan 0.000 0.207 46 L C 1.850 178.753 176.870 0.056 0.000 1.086 46 L CA 3.224 58.041 54.840 -0.040 0.000 0.760 46 L CB -0.502 41.487 42.059 -0.116 0.000 0.910 46 L HN -0.518 7.660 8.230 -0.049 0.022 0.437 47 V N -1.003 118.968 119.914 0.095 0.000 2.719 47 V HA -0.332 nan 4.120 nan 0.000 0.252 47 V C 1.211 177.478 176.094 0.289 0.000 1.065 47 V CA 3.329 65.758 62.300 0.215 0.000 1.086 47 V CB -0.758 31.148 31.823 0.138 0.000 0.700 47 V HN -0.100 8.123 8.190 0.056 0.000 0.467 48 R N 0.735 121.359 120.500 0.207 0.000 2.096 48 R HA -0.330 nan 4.340 nan 0.000 0.235 48 R C 1.762 178.095 176.300 0.055 0.000 1.127 48 R CA 3.516 59.754 56.100 0.230 0.000 0.968 48 R CB -0.123 30.229 30.300 0.087 0.000 0.861 48 R HN -0.164 8.192 8.270 0.144 0.000 0.440 49 L N -1.008 120.190 121.223 -0.043 0.000 2.046 49 L HA -0.279 nan 4.340 nan 0.000 0.208 49 L C 1.127 177.953 176.870 -0.075 0.000 1.077 49 L CA 3.036 57.766 54.840 -0.184 0.000 0.747 49 L CB -0.492 41.438 42.059 -0.214 0.000 0.896 49 L HN -0.005 8.111 8.230 -0.015 0.105 0.432 50 A N -1.081 121.803 122.820 0.106 0.000 1.933 50 A HA -0.283 nan 4.320 nan 0.000 0.218 50 A C 1.944 179.665 177.584 0.229 0.000 1.175 50 A CA 2.884 55.028 52.037 0.177 0.000 0.628 50 A CB -0.800 18.370 19.000 0.284 0.000 0.814 50 A HN -0.201 8.032 8.150 0.137 0.000 0.444 51 W N -0.910 120.531 121.300 0.236 0.000 2.381 51 W HA -0.441 nan 4.660 nan 0.000 0.301 51 W C 1.382 178.064 176.519 0.272 0.000 1.205 51 W CA 3.195 60.706 57.345 0.277 0.000 1.285 51 W CB 0.019 29.695 29.460 0.360 0.000 1.133 51 W HN -0.117 8.385 8.180 0.537 0.000 0.521 52 H N -0.677 118.031 119.070 -0.604 0.000 2.389 52 H HA -0.374 nan 4.556 nan 0.000 0.299 52 H C 2.625 177.738 175.328 -0.359 0.000 1.081 52 H CA 3.402 59.063 56.048 -0.646 0.000 1.345 52 H CB 0.889 30.382 29.762 -0.449 0.000 1.393 52 H HN -0.195 8.046 8.280 -0.064 0.000 0.520 53 I N -4.645 115.846 120.570 -0.132 0.000 2.676 53 I HA -0.262 nan 4.170 nan 0.000 0.259 53 I C 1.406 177.531 176.117 0.013 0.000 1.194 53 I CA 2.660 63.935 61.300 -0.042 0.000 1.473 53 I CB -0.273 37.718 38.000 -0.014 0.000 1.096 53 I HN -0.374 7.749 8.210 -0.145 0.000 0.443 54 S N 1.006 116.703 115.700 -0.005 0.000 2.458 54 S HA -0.058 nan 4.470 nan 0.000 0.223 54 S C 2.307 176.933 174.600 0.044 0.000 1.019 54 S CA 3.518 61.740 58.200 0.037 0.000 0.937 54 S CB 0.157 63.398 63.200 0.069 0.000 0.788 54 S HN -0.524 7.766 8.310 -0.014 0.011 0.511 55 G N 0.738 109.458 108.800 -0.132 0.000 2.848 55 G HA2 -0.048 nan 3.960 nan 0.000 0.208 55 G HA3 -0.048 nan 3.960 nan 0.000 0.208 55 G C -0.560 174.306 174.900 -0.057 0.000 1.152 55 G CA 1.608 46.613 45.100 -0.159 0.000 0.789 55 G HN 0.301 8.412 8.290 -0.298 0.000 0.531 56 T N -2.495 112.044 114.554 -0.025 0.000 3.160 56 T HA -0.065 nan 4.350 nan 0.000 0.257 56 T C 0.055 174.816 174.700 0.102 0.000 1.147 56 T CA -0.724 61.393 62.100 0.029 0.000 1.064 56 T CB -0.795 68.101 68.868 0.047 0.000 0.949 56 T HN -0.506 7.650 8.240 -0.046 0.056 0.526 57 W N 2.365 123.638 121.300 -0.045 0.000 2.210 57 W HA -0.135 nan 4.660 nan 0.000 0.330 57 W C -1.842 174.632 176.519 -0.076 0.000 1.334 57 W CA 0.614 57.937 57.345 -0.037 0.000 1.227 57 W CB 0.534 29.981 29.460 -0.023 0.000 1.178 57 W HN -0.795 7.468 8.180 0.262 0.073 0.560 58 D N 8.060 128.053 120.400 -0.679 0.000 2.481 58 D HA 0.320 nan 4.640 nan 0.000 0.246 58 D C 0.115 175.564 176.300 -1.418 0.000 1.109 58 D CA -1.700 51.801 54.000 -0.831 0.000 0.845 58 D CB 2.475 43.047 40.800 -0.380 0.000 1.160 58 D HN 0.334 8.384 8.370 -0.533 0.000 0.534 59 K N 5.855 125.267 120.400 -1.647 0.000 2.281 59 K HA -0.318 nan 4.320 nan 0.000 0.203 59 K C 1.214 177.387 176.600 -0.713 0.000 1.046 59 K CA 2.022 57.477 56.287 -1.387 0.000 0.938 59 K CB -0.141 31.789 32.500 -0.950 0.000 0.737 59 K HN 0.309 7.700 8.250 -1.431 0.000 0.458 60 H N -1.055 117.778 119.070 -0.394 0.000 2.403 60 H HA -0.100 nan 4.556 nan 0.000 0.298 60 H C 0.969 176.196 175.328 -0.169 0.000 1.059 60 H CA 1.891 57.806 56.048 -0.222 0.000 1.363 60 H CB 0.450 30.104 29.762 -0.180 0.000 1.410 60 H HN -0.078 7.990 8.280 -0.766 -0.247 0.528 61 D N -5.260 115.089 120.400 -0.085 0.000 2.513 61 D HA -0.010 nan 4.640 nan 0.000 0.222 61 D C -0.043 176.219 176.300 -0.063 0.000 1.210 61 D CA -1.077 52.888 54.000 -0.059 0.000 0.825 61 D CB -0.020 40.758 40.800 -0.036 0.000 1.037 61 D HN -0.599 7.671 8.370 -0.167 0.000 0.506 62 N N -1.979 116.657 118.700 -0.107 0.000 2.693 62 N HA -0.470 nan 4.740 nan 0.000 0.249 62 N C -1.084 174.554 175.510 0.212 0.000 1.119 62 N CA 1.297 54.402 53.050 0.091 0.000 0.717 62 N CB -0.812 37.743 38.487 0.114 0.000 1.071 62 N HN -0.203 8.044 8.380 -0.222 0.000 0.555 63 T N -6.518 108.077 114.554 0.070 0.000 2.899 63 T HA 0.317 nan 4.350 nan 0.000 0.284 63 T C -0.394 174.417 174.700 0.186 0.000 1.004 63 T CA -1.270 60.917 62.100 0.146 0.000 1.043 63 T CB 2.089 70.995 68.868 0.064 0.000 1.013 63 T HN -0.869 7.521 8.240 -0.062 -0.187 0.518 64 G N 3.299 112.222 108.800 0.205 0.000 2.598 64 G HA2 -0.458 nan 3.960 nan 0.000 0.244 64 G HA3 -0.458 nan 3.960 nan 0.000 0.244 64 G C -0.733 174.341 174.900 0.291 0.000 1.302 64 G CA -0.406 44.821 45.100 0.211 0.000 0.903 64 G HN 0.355 8.759 8.290 0.191 0.000 0.575 65 G N -1.012 107.944 108.800 0.260 0.000 2.795 65 G HA2 -0.334 nan 3.960 nan 0.000 0.664 65 G HA3 -0.334 nan 3.960 nan 0.000 0.664 65 G C 0.630 175.589 174.900 0.098 0.000 1.381 65 G CA -0.372 44.827 45.100 0.166 0.000 0.853 65 G HN -0.187 8.190 8.290 0.215 0.041 0.545 66 S N 0.417 116.148 115.700 0.052 0.000 2.481 66 S HA -0.251 nan 4.470 nan 0.000 0.231 66 S C 1.562 176.220 174.600 0.097 0.000 0.996 66 S CA 2.558 60.812 58.200 0.090 0.000 0.942 66 S CB 0.122 63.365 63.200 0.071 0.000 0.768 66 S HN 0.527 8.832 8.310 -0.008 0.000 0.520 67 Y N 4.109 124.357 120.300 -0.087 0.000 2.081 67 Y HA -0.408 nan 4.550 nan 0.000 0.280 67 Y C 0.841 176.705 175.900 -0.060 0.000 1.163 67 Y CA 3.030 61.050 58.100 -0.134 0.000 1.135 67 Y CB -0.061 38.195 38.460 -0.341 0.000 0.970 67 Y HN -0.035 8.244 8.280 0.104 0.063 0.498 68 G N -6.571 102.260 108.800 0.052 0.000 2.985 68 G HA2 -0.088 nan 3.960 nan 0.000 0.209 68 G HA3 -0.088 nan 3.960 nan 0.000 0.209 68 G C -0.079 174.874 174.900 0.090 0.000 1.165 68 G CA -0.485 44.651 45.100 0.061 0.000 0.776 68 G HN -0.041 8.326 8.290 0.128 0.000 0.541 69 G N 0.069 108.939 108.800 0.117 0.000 2.321 69 G HA2 -0.484 nan 3.960 nan 0.000 0.287 69 G HA3 -0.484 nan 3.960 nan 0.000 0.287 69 G C 0.534 175.603 174.900 0.281 0.000 1.018 69 G CA 1.148 46.377 45.100 0.215 0.000 0.855 69 G HN -0.499 7.778 8.290 0.096 0.071 0.507 70 T N -3.736 110.996 114.554 0.296 0.000 3.113 70 T HA -0.276 nan 4.350 nan 0.000 0.263 70 T C 1.049 175.931 174.700 0.303 0.000 1.143 70 T CA 1.606 63.916 62.100 0.350 0.000 1.090 70 T CB -0.890 68.229 68.868 0.417 0.000 0.922 70 T HN 0.215 8.595 8.240 0.277 0.027 0.521 71 Y N 3.766 124.176 120.300 0.183 0.000 2.465 71 Y HA -0.309 nan 4.550 nan 0.000 0.289 71 Y C 0.351 176.303 175.900 0.087 0.000 1.150 71 Y CA 1.355 59.516 58.100 0.102 0.000 1.293 71 Y CB -0.521 37.898 38.460 -0.067 0.000 0.977 71 Y HN -0.549 7.965 8.280 0.451 0.037 0.556 72 R N -1.857 118.643 120.500 0.001 0.000 2.193 72 R HA -0.246 nan 4.340 nan 0.000 0.229 72 R C 0.409 176.418 176.300 -0.486 0.000 1.110 72 R CA 1.759 57.710 56.100 -0.248 0.000 0.988 72 R CB -0.082 30.105 30.300 -0.188 0.000 0.871 72 R HN -0.712 7.646 8.270 0.205 0.035 0.458 73 F N -1.152 118.767 119.950 -0.052 0.000 2.399 73 F HA 0.141 nan 4.527 nan 0.000 0.342 73 F C 0.829 176.569 175.800 -0.100 0.000 1.106 73 F CA -0.962 56.992 58.000 -0.076 0.000 1.196 73 F CB 0.437 39.436 39.000 -0.003 0.000 1.163 73 F HN -0.463 7.530 8.300 -0.251 0.156 0.547 74 K N 3.735 124.194 120.400 0.098 0.000 2.044 74 K HA -0.448 nan 4.320 nan 0.000 0.210 74 K C 1.981 178.633 176.600 0.086 0.000 1.049 74 K CA 4.072 60.382 56.287 0.039 0.000 0.927 74 K CB -0.675 31.837 32.500 0.020 0.000 0.713 74 K HN 0.803 9.149 8.250 0.160 0.000 0.443 75 K N -1.100 119.356 120.400 0.092 0.000 2.020 75 K HA -0.394 nan 4.320 nan 0.000 0.212 75 K C 1.932 178.584 176.600 0.088 0.000 1.050 75 K CA 3.548 59.881 56.287 0.077 0.000 0.929 75 K CB -0.242 32.296 32.500 0.064 0.000 0.714 75 K HN 0.101 8.413 8.250 0.103 0.000 0.443 76 E N -1.935 118.334 120.200 0.115 0.000 2.072 76 E HA -0.244 nan 4.350 nan 0.000 0.190 76 E C 2.795 179.426 176.600 0.051 0.000 0.982 76 E CA 2.486 58.956 56.400 0.116 0.000 0.803 76 E CB -0.198 29.610 29.700 0.179 0.000 0.755 76 E HN -0.618 7.832 8.360 0.150 0.000 0.453 77 F N -0.090 119.694 119.950 -0.277 0.000 2.126 77 F HA -0.333 nan 4.527 nan 0.000 0.299 77 F C 0.438 176.122 175.800 -0.193 0.000 1.096 77 F CA 3.353 61.051 58.000 -0.503 0.000 1.255 77 F CB 0.311 38.943 39.000 -0.613 0.000 0.997 77 F HN 0.105 8.436 8.300 0.051 0.000 0.479 78 N N -3.710 115.021 118.700 0.052 0.000 2.322 78 N HA -0.007 nan 4.740 nan 0.000 0.194 78 N C -1.123 174.398 175.510 0.019 0.000 1.126 78 N CA 0.271 53.339 53.050 0.029 0.000 0.845 78 N CB 0.481 39.011 38.487 0.071 0.000 0.976 78 N HN -0.473 7.974 8.380 0.112 0.000 0.475 79 D N 2.763 123.179 120.400 0.027 0.000 2.520 79 D HA 0.025 nan 4.640 nan 0.000 0.243 79 D C -0.158 176.165 176.300 0.037 0.000 1.160 79 D CA -1.158 52.867 54.000 0.042 0.000 0.877 79 D CB 0.565 41.402 40.800 0.061 0.000 1.150 79 D HN -0.668 7.545 8.370 0.029 0.174 0.494 80 P HA -0.260 nan 4.420 nan 0.000 0.218 80 P C 1.347 178.687 177.300 0.066 0.000 1.154 80 P CA 2.392 65.519 63.100 0.045 0.000 0.872 80 P CB 0.212 31.938 31.700 0.044 0.000 0.790 81 S N -3.217 112.530 115.700 0.078 0.000 2.500 81 S HA -0.285 nan 4.470 nan 0.000 0.239 81 S C 0.492 175.214 174.600 0.203 0.000 0.989 81 S CA 2.875 61.148 58.200 0.122 0.000 0.951 81 S CB -0.415 62.823 63.200 0.062 0.000 0.759 81 S HN -0.373 8.174 8.310 0.063 -0.199 0.523 82 N N -0.135 118.649 118.700 0.139 0.000 2.235 82 N HA 0.065 nan 4.740 nan 0.000 0.209 82 N C -1.468 174.044 175.510 0.004 0.000 1.122 82 N CA -0.937 52.180 53.050 0.113 0.000 0.845 82 N CB 0.101 38.673 38.487 0.142 0.000 1.004 82 N HN -0.154 8.106 8.380 0.093 0.175 0.499 83 A N -0.655 122.176 122.820 0.019 0.000 2.548 83 A HA -0.113 nan 4.320 nan 0.000 0.247 83 A C 0.317 177.893 177.584 -0.014 0.000 1.067 83 A CA 1.608 53.641 52.037 -0.008 0.000 0.757 83 A CB -0.572 18.441 19.000 0.022 0.000 0.996 83 A HN -0.392 7.729 8.150 0.054 0.061 0.504 84 G N 3.670 112.447 108.800 -0.037 0.000 2.254 84 G HA2 -0.394 nan 3.960 nan 0.000 0.225 84 G HA3 -0.394 nan 3.960 nan 0.000 0.225 84 G C 1.020 175.903 174.900 -0.029 0.000 1.003 84 G CA 0.652 45.731 45.100 -0.035 0.000 0.622 84 G HN 0.462 8.981 8.290 -0.051 -0.259 0.507 85 L N 1.675 122.856 121.223 -0.069 0.000 2.465 85 L HA -0.290 nan 4.340 nan 0.000 0.224 85 L C 0.770 177.649 176.870 0.015 0.000 1.145 85 L CA 1.648 56.442 54.840 -0.076 0.000 0.834 85 L CB -0.646 41.300 42.059 -0.188 0.000 0.944 85 L HN -0.396 7.712 8.230 -0.085 0.071 0.451 86 Q N -0.870 118.911 119.800 -0.030 0.000 2.234 86 Q HA -0.392 nan 4.340 nan 0.000 0.206 86 Q C 2.266 178.409 176.000 0.239 0.000 0.980 86 Q CA 3.461 59.312 55.803 0.079 0.000 0.869 86 Q CB -0.993 27.770 28.738 0.040 0.000 0.912 86 Q HN 0.498 8.666 8.270 -0.099 0.043 0.436 87 N N -0.074 118.726 118.700 0.167 0.000 2.142 87 N HA -0.243 nan 4.740 nan 0.000 0.186 87 N C 2.167 177.771 175.510 0.158 0.000 1.023 87 N CA 2.915 56.075 53.050 0.183 0.000 0.852 87 N CB -0.555 38.040 38.487 0.181 0.000 0.998 87 N HN -0.572 7.855 8.380 0.112 0.020 0.424 88 G N -0.292 108.576 108.800 0.113 0.000 2.403 88 G HA2 -0.223 nan 3.960 nan 0.000 0.216 88 G HA3 -0.223 nan 3.960 nan 0.000 0.216 88 G C 1.000 175.994 174.900 0.156 0.000 1.154 88 G CA 1.531 46.665 45.100 0.056 0.000 0.784 88 G HN -0.410 7.843 8.290 0.093 0.093 0.538 89 F N 2.852 122.870 119.950 0.113 0.000 2.095 89 F HA -0.352 nan 4.527 nan 0.000 0.298 89 F C 1.246 177.163 175.800 0.195 0.000 1.104 89 F CA 3.240 61.376 58.000 0.228 0.000 1.232 89 F CB 0.346 39.597 39.000 0.418 0.000 0.987 89 F HN -0.189 8.319 8.300 0.346 0.000 0.475 90 K N -2.699 117.858 120.400 0.261 0.000 2.147 90 K HA -0.397 nan 4.320 nan 0.000 0.205 90 K C 1.845 178.417 176.600 -0.046 0.000 1.049 90 K CA 2.787 59.133 56.287 0.097 0.000 0.936 90 K CB -0.204 32.400 32.500 0.173 0.000 0.722 90 K HN -0.088 8.410 8.250 0.414 0.000 0.446 91 F N -1.346 118.449 119.950 -0.259 0.000 2.146 91 F HA -0.251 nan 4.527 nan 0.000 0.298 91 F C 0.823 176.436 175.800 -0.311 0.000 1.096 91 F CA 2.845 60.581 58.000 -0.439 0.000 1.275 91 F CB 0.798 39.349 39.000 -0.748 0.000 1.008 91 F HN -0.714 7.632 8.300 0.076 0.000 0.480 92 L N -3.666 117.544 121.223 -0.021 0.000 2.418 92 L HA -0.254 nan 4.340 nan 0.000 0.218 92 L C 1.479 178.230 176.870 -0.199 0.000 1.125 92 L CA 1.608 56.394 54.840 -0.090 0.000 0.835 92 L CB -0.332 41.752 42.059 0.040 0.000 0.953 92 L HN -0.395 7.874 8.230 0.064 0.000 0.454 93 E N 0.738 120.773 120.200 -0.275 0.000 2.058 93 E HA -0.256 nan 4.350 nan 0.000 0.194 93 E C -1.030 175.464 176.600 -0.177 0.000 0.997 93 E CA 5.529 61.765 56.400 -0.273 0.000 0.801 93 E CB -1.592 27.904 29.700 -0.340 0.000 0.746 93 E HN -0.351 7.798 8.360 -0.291 0.036 0.450 94 P HA -0.165 nan 4.420 nan 0.000 0.218 94 P C 1.607 178.812 177.300 -0.159 0.000 1.149 94 P CA 2.682 65.674 63.100 -0.178 0.000 0.817 94 P CB -0.500 31.073 31.700 -0.210 0.000 0.785 95 I N -1.434 119.042 120.570 -0.158 0.000 2.315 95 I HA -0.471 nan 4.170 nan 0.000 0.248 95 I C 1.693 177.832 176.117 0.036 0.000 1.117 95 I CA 3.954 65.221 61.300 -0.057 0.000 1.404 95 I CB -0.195 37.742 38.000 -0.104 0.000 1.071 95 I HN -0.883 7.095 8.210 -0.216 0.103 0.419 96 H N 0.758 119.739 119.070 -0.148 0.000 2.389 96 H HA -0.340 nan 4.556 nan 0.000 0.299 96 H C 1.651 176.877 175.328 -0.171 0.000 1.081 96 H CA 2.763 58.710 56.048 -0.167 0.000 1.345 96 H CB 0.385 30.032 29.762 -0.192 0.000 1.393 96 H HN -0.114 8.156 8.280 -0.016 0.000 0.520 97 K N -2.875 117.459 120.400 -0.110 0.000 2.103 97 K HA -0.219 nan 4.320 nan 0.000 0.207 97 K C 1.214 177.686 176.600 -0.213 0.000 1.048 97 K CA 1.576 57.759 56.287 -0.174 0.000 0.930 97 K CB -0.132 32.277 32.500 -0.152 0.000 0.716 97 K HN -0.487 7.712 8.250 -0.086 0.000 0.444 98 E N -1.546 118.496 120.200 -0.263 0.000 2.152 98 E HA -0.195 nan 4.350 nan 0.000 0.192 98 E C 0.206 176.331 176.600 -0.790 0.000 0.983 98 E CA 2.314 58.407 56.400 -0.512 0.000 0.818 98 E CB 0.917 30.261 29.700 -0.592 0.000 0.758 98 E HN -0.580 7.585 8.360 -0.195 0.077 0.467 99 F N -2.899 116.928 119.950 -0.204 0.000 2.449 99 F HA 0.476 nan 4.527 nan 0.000 0.329 99 F C -2.235 173.261 175.800 -0.507 0.000 1.245 99 F CA -2.978 54.774 58.000 -0.413 0.000 1.193 99 F CB -0.309 38.317 39.000 -0.624 0.000 1.425 99 F HN -0.400 7.822 8.300 -0.129 0.000 0.544 100 P HA -0.134 nan 4.420 nan 0.000 0.226 100 P C -0.220 177.032 177.300 -0.079 0.000 1.153 100 P CA 1.526 64.509 63.100 -0.195 0.000 0.777 100 P CB -0.306 31.317 31.700 -0.128 0.000 0.794 101 W N -5.864 115.473 121.300 0.061 0.000 2.519 101 W HA -0.091 nan 4.660 nan 0.000 0.266 101 W C -0.722 175.867 176.519 0.116 0.000 1.253 101 W CA -1.325 56.058 57.345 0.064 0.000 1.274 101 W CB -0.500 28.982 29.460 0.036 0.000 1.114 101 W HN -0.553 7.539 8.180 -0.074 0.044 0.596 102 I N 2.164 122.561 120.570 -0.289 0.000 2.529 102 I HA -0.027 nan 4.170 nan 0.000 0.284 102 I C -0.605 175.548 176.117 0.060 0.000 1.082 102 I CA -0.334 60.870 61.300 -0.159 0.000 1.406 102 I CB 1.313 38.963 38.000 -0.583 0.000 1.405 102 I HN -0.735 7.030 8.210 -0.671 0.042 0.548 103 S N 7.692 123.445 115.700 0.089 0.000 2.600 103 S HA 0.088 nan 4.470 nan 0.000 0.265 103 S C 1.051 175.534 174.600 -0.194 0.000 1.325 103 S CA -0.284 57.919 58.200 0.006 0.000 1.002 103 S CB 0.641 63.834 63.200 -0.012 0.000 0.921 103 S HN 0.031 8.734 8.310 0.191 -0.278 0.554 104 S N 4.285 119.827 115.700 -0.264 0.000 2.356 104 S HA -0.306 nan 4.470 nan 0.000 0.223 104 S C 2.132 176.262 174.600 -0.783 0.000 1.032 104 S CA 4.876 62.665 58.200 -0.685 0.000 1.005 104 S CB -0.259 62.647 63.200 -0.490 0.000 0.867 104 S HN 0.161 8.788 8.310 -0.122 -0.391 0.449 105 G N 0.369 108.997 108.800 -0.287 0.000 2.440 105 G HA2 -0.354 nan 3.960 nan 0.000 0.218 105 G HA3 -0.354 nan 3.960 nan 0.000 0.218 105 G C 0.953 175.861 174.900 0.012 0.000 1.154 105 G CA 2.036 47.103 45.100 -0.055 0.000 0.767 105 G HN -0.345 7.820 8.290 -0.208 0.000 0.552 106 D N 2.838 123.250 120.400 0.020 0.000 2.097 106 D HA -0.180 nan 4.640 nan 0.000 0.195 106 D C 2.149 178.529 176.300 0.135 0.000 0.989 106 D CA 3.072 57.229 54.000 0.261 0.000 0.827 106 D CB -0.296 40.721 40.800 0.361 0.000 0.966 106 D HN -0.712 7.636 8.370 -0.037 0.000 0.456 107 L N 0.306 121.427 121.223 -0.169 0.000 2.017 107 L HA -0.324 nan 4.340 nan 0.000 0.208 107 L C 1.717 178.530 176.870 -0.094 0.000 1.073 107 L CA 3.400 58.076 54.840 -0.274 0.000 0.745 107 L CB -0.238 41.472 42.059 -0.580 0.000 0.894 107 L HN -0.178 7.885 8.230 -0.279 0.000 0.432 108 F N -2.454 117.474 119.950 -0.036 0.000 2.095 108 F HA -0.394 nan 4.527 nan 0.000 0.298 108 F C 2.381 178.197 175.800 0.026 0.000 1.104 108 F CA 1.795 59.796 58.000 0.001 0.000 1.232 108 F CB -1.361 37.659 39.000 0.034 0.000 0.987 108 F HN 0.505 8.512 8.300 -0.489 0.000 0.475 109 S N -0.612 115.241 115.700 0.255 0.000 2.387 109 S HA -0.291 nan 4.470 nan 0.000 0.226 109 S C 2.274 176.965 174.600 0.152 0.000 1.026 109 S CA 3.436 61.779 58.200 0.238 0.000 0.972 109 S CB 0.123 63.528 63.200 0.342 0.000 0.814 109 S HN -0.151 8.310 8.310 0.252 0.000 0.477 110 L N 2.623 123.834 121.223 -0.019 0.000 2.141 110 L HA -0.147 nan 4.340 nan 0.000 0.209 110 L C 1.489 178.225 176.870 -0.223 0.000 1.094 110 L CA 2.122 56.713 54.840 -0.415 0.000 0.763 110 L CB -0.606 41.020 42.059 -0.723 0.000 0.908 110 L HN 0.189 8.464 8.230 0.074 0.000 0.437 111 G N -1.763 106.976 108.800 -0.101 0.000 2.469 111 G HA2 -0.465 nan 3.960 nan 0.000 0.219 111 G HA3 -0.465 nan 3.960 nan 0.000 0.219 111 G C 0.916 175.808 174.900 -0.014 0.000 1.150 111 G CA 2.687 47.751 45.100 -0.060 0.000 0.763 111 G HN 0.338 8.594 8.290 -0.057 0.000 0.561 112 G N 0.799 109.660 108.800 0.101 0.000 2.421 112 G HA2 -0.316 nan 3.960 nan 0.000 0.216 112 G HA3 -0.316 nan 3.960 nan 0.000 0.216 112 G C 1.053 176.112 174.900 0.265 0.000 1.171 112 G CA 1.817 47.065 45.100 0.247 0.000 0.775 112 G HN -0.701 7.658 8.290 0.115 0.000 0.543 113 V N 2.732 122.793 119.914 0.245 0.000 2.287 113 V HA -0.482 nan 4.120 nan 0.000 0.248 113 V C 2.295 178.441 176.094 0.086 0.000 1.053 113 V CA 4.418 66.854 62.300 0.226 0.000 1.027 113 V CB -0.721 31.219 31.823 0.195 0.000 0.646 113 V HN -0.336 7.967 8.190 0.189 0.000 0.447 114 T N 0.779 115.271 114.554 -0.105 0.000 2.746 114 T HA -0.337 nan 4.350 nan 0.000 0.267 114 T C 1.406 175.967 174.700 -0.231 0.000 1.039 114 T CA 4.959 66.819 62.100 -0.400 0.000 1.142 114 T CB -0.658 67.778 68.868 -0.720 0.000 0.866 114 T HN 0.238 8.396 8.240 -0.138 0.000 0.444 115 A N 0.904 123.640 122.820 -0.140 0.000 1.883 115 A HA -0.253 nan 4.320 nan 0.000 0.217 115 A C 1.750 179.278 177.584 -0.094 0.000 1.186 115 A CA 3.316 55.294 52.037 -0.098 0.000 0.624 115 A CB -0.839 18.122 19.000 -0.064 0.000 0.822 115 A HN -0.040 8.040 8.150 -0.118 0.000 0.444 116 V N -0.973 118.865 119.914 -0.127 0.000 2.343 116 V HA -0.541 nan 4.120 nan 0.000 0.247 116 V C 2.361 178.291 176.094 -0.274 0.000 1.051 116 V CA 4.590 66.705 62.300 -0.307 0.000 1.036 116 V CB -1.022 30.511 31.823 -0.484 0.000 0.654 116 V HN -0.152 7.995 8.190 -0.072 0.000 0.451 117 Q N -1.607 118.122 119.800 -0.117 0.000 2.119 117 Q HA -0.329 nan 4.340 nan 0.000 0.201 117 Q C 3.135 179.143 176.000 0.012 0.000 0.972 117 Q CA 3.284 59.071 55.803 -0.027 0.000 0.847 117 Q CB -0.179 28.656 28.738 0.162 0.000 0.903 117 Q HN -0.301 7.935 8.270 -0.056 0.000 0.433 118 E N -0.600 119.603 120.200 0.005 0.000 2.274 118 E HA -0.191 nan 4.350 nan 0.000 0.194 118 E C 1.314 177.923 176.600 0.016 0.000 0.996 118 E CA 1.780 58.190 56.400 0.017 0.000 0.840 118 E CB -0.234 29.451 29.700 -0.026 0.000 0.772 118 E HN -0.164 8.178 8.360 -0.030 0.000 0.491 119 M N -1.511 118.085 119.600 -0.006 0.000 2.652 119 M HA 0.068 nan 4.480 nan 0.000 0.226 119 M C -1.328 175.007 176.300 0.058 0.000 1.244 119 M CA 0.255 55.574 55.300 0.032 0.000 0.986 119 M CB -0.347 32.280 32.600 0.046 0.000 1.666 119 M HN -0.353 7.896 8.290 -0.042 0.016 0.460 120 Q N -5.369 114.454 119.800 0.038 0.000 2.494 120 Q HA -0.426 nan 4.340 nan 0.000 0.266 120 Q C -0.193 175.821 176.000 0.023 0.000 1.053 120 Q CA 0.894 56.737 55.803 0.067 0.000 1.029 120 Q CB -3.206 25.611 28.738 0.132 0.000 1.423 120 Q HN -0.188 7.985 8.270 0.026 0.112 0.516 121 G N 1.168 109.836 108.800 -0.220 0.000 2.535 121 G HA2 0.173 nan 3.960 nan 0.000 0.282 121 G HA3 0.173 nan 3.960 nan 0.000 0.282 121 G C -2.058 172.436 174.900 -0.676 0.000 1.350 121 G CA -1.257 43.397 45.100 -0.744 0.000 1.039 121 G HN -0.142 7.992 8.290 -0.200 0.036 0.509 122 P HA -0.010 nan 4.420 nan 0.000 0.274 122 P C -1.238 175.931 177.300 -0.218 0.000 1.246 122 P CA -0.606 62.248 63.100 -0.410 0.000 0.795 122 P CB 0.821 32.294 31.700 -0.379 0.000 1.006 123 K N -0.996 119.361 120.400 -0.070 0.000 2.416 123 K HA -0.022 nan 4.320 nan 0.000 0.283 123 K C -0.151 176.455 176.600 0.010 0.000 1.037 123 K CA -0.298 55.983 56.287 -0.010 0.000 0.995 123 K CB -0.179 32.327 32.500 0.010 0.000 0.938 123 K HN 0.150 8.380 8.250 -0.033 0.000 0.475 124 I N 6.350 126.963 120.570 0.071 0.000 2.307 124 I HA 0.173 nan 4.170 nan 0.000 0.289 124 I C -1.707 174.485 176.117 0.125 0.000 1.021 124 I CA -4.797 56.576 61.300 0.120 0.000 1.224 124 I CB -1.566 36.582 38.000 0.246 0.000 1.376 124 I HN -0.145 8.403 8.210 0.104 -0.275 0.470 125 P HA -0.033 nan 4.420 nan 0.000 0.264 125 P C -2.184 175.170 177.300 0.090 0.000 1.193 125 P CA -0.103 63.007 63.100 0.018 0.000 0.763 125 P CB 0.200 31.858 31.700 -0.070 0.000 0.810 126 W N 6.311 127.544 121.300 -0.112 0.000 2.785 126 W HA 0.254 nan 4.660 nan 0.000 0.333 126 W C -2.609 173.769 176.519 -0.235 0.000 1.062 126 W CA -1.405 55.893 57.345 -0.079 0.000 1.233 126 W CB 3.941 33.498 29.460 0.162 0.000 1.413 126 W HN 0.674 8.943 8.180 0.149 0.000 0.489 127 R N 4.013 123.884 120.500 -1.049 0.000 2.514 127 R HA 0.552 nan 4.340 nan 0.000 0.301 127 R C -1.333 174.026 176.300 -1.569 0.000 0.962 127 R CA -1.565 53.831 56.100 -1.175 0.000 0.882 127 R CB 3.291 32.913 30.300 -1.129 0.000 1.143 127 R HN 0.272 7.862 8.270 -1.133 0.000 0.452 128 C N -2.023 116.555 119.300 -1.202 0.000 2.396 128 C HA 0.504 nan 4.460 nan 0.000 0.359 128 C C 0.617 175.478 174.990 -0.216 0.000 1.307 128 C CA -2.100 56.421 59.018 -0.829 0.000 2.392 128 C CB 0.850 28.256 27.740 -0.556 0.000 2.245 128 C HN 0.545 8.168 8.230 -1.012 0.000 0.615 129 G N -0.544 108.245 108.800 -0.018 0.000 2.227 129 G HA2 -0.228 nan 3.960 nan 0.000 0.168 129 G HA3 -0.228 nan 3.960 nan 0.000 0.168 129 G C -1.170 173.728 174.900 -0.004 0.000 1.006 129 G CA -0.267 44.871 45.100 0.064 0.000 0.684 129 G HN 0.327 9.046 8.290 0.040 -0.405 0.489 130 R N 0.564 121.010 120.500 -0.090 0.000 2.679 130 R HA 0.017 nan 4.340 nan 0.000 0.268 130 R C -0.778 175.252 176.300 -0.450 0.000 1.044 130 R CA 1.088 56.960 56.100 -0.379 0.000 1.105 130 R CB 0.659 30.815 30.300 -0.241 0.000 0.989 130 R HN -0.606 7.863 8.270 -0.052 -0.231 0.447 131 V N 3.862 123.240 119.914 -0.894 0.000 2.540 131 V HA 0.063 nan 4.120 nan 0.000 0.302 131 V C -1.042 174.852 176.094 -0.333 0.000 1.035 131 V CA -1.396 60.655 62.300 -0.415 0.000 0.873 131 V CB 2.354 34.058 31.823 -0.197 0.000 0.992 131 V HN -0.173 6.875 8.190 -1.904 0.000 0.428 132 D N 5.266 125.595 120.400 -0.118 0.000 2.458 132 D HA -0.019 nan 4.640 nan 0.000 0.243 132 D C -0.325 176.016 176.300 0.069 0.000 1.146 132 D CA 0.867 54.855 54.000 -0.020 0.000 0.877 132 D CB 0.464 41.275 40.800 0.019 0.000 1.176 132 D HN 0.026 8.351 8.370 -0.075 0.000 0.461 133 T N 0.091 114.735 114.554 0.149 0.000 2.932 133 T HA 0.513 nan 4.350 nan 0.000 0.289 133 T C -1.934 172.931 174.700 0.274 0.000 1.039 133 T CA -3.364 58.858 62.100 0.203 0.000 1.024 133 T CB 0.587 69.593 68.868 0.229 0.000 1.090 133 T HN -0.196 8.139 8.240 0.157 0.000 0.496 134 P HA 0.099 nan 4.420 nan 0.000 0.269 134 P C 0.796 177.998 177.300 -0.164 0.000 1.217 134 P CA -0.780 62.374 63.100 0.090 0.000 0.783 134 P CB 0.668 32.387 31.700 0.031 0.000 0.898 135 E N 1.402 121.185 120.200 -0.695 0.000 2.273 135 E HA -0.382 nan 4.350 nan 0.000 0.198 135 E C 1.182 177.455 176.600 -0.544 0.000 1.002 135 E CA 3.270 58.842 56.400 -1.380 0.000 0.828 135 E CB -0.120 28.831 29.700 -1.248 0.000 0.747 135 E HN 0.506 8.589 8.360 -0.462 0.000 0.491 136 D N -3.773 116.468 120.400 -0.266 0.000 2.349 136 D HA -0.108 nan 4.640 nan 0.000 0.224 136 D C 0.828 177.099 176.300 -0.048 0.000 1.029 136 D CA 0.825 54.749 54.000 -0.128 0.000 0.879 136 D CB -0.868 39.884 40.800 -0.081 0.000 0.906 136 D HN 0.065 8.264 8.370 -0.234 0.030 0.528 137 T N -4.845 109.698 114.554 -0.017 0.000 3.086 137 T HA 0.137 nan 4.350 nan 0.000 0.250 137 T C 0.298 175.056 174.700 0.096 0.000 1.074 137 T CA 0.087 62.228 62.100 0.068 0.000 0.988 137 T CB 0.187 69.134 68.868 0.132 0.000 0.988 137 T HN -0.234 7.825 8.240 -0.050 0.151 0.530 138 T N 7.455 122.049 114.554 0.067 0.000 2.831 138 T HA 0.101 nan 4.350 nan 0.000 0.291 138 T C -1.515 173.245 174.700 0.099 0.000 0.981 138 T CA 0.007 62.185 62.100 0.131 0.000 1.174 138 T CB -0.549 68.384 68.868 0.109 0.000 0.929 138 T HN -0.685 7.468 8.240 -0.025 0.071 0.532 139 P HA 0.019 nan 4.420 nan 0.000 0.269 139 P C -1.615 175.725 177.300 0.067 0.000 1.209 139 P CA -0.702 62.448 63.100 0.084 0.000 0.776 139 P CB 0.601 32.355 31.700 0.089 0.000 0.876 140 D N 1.190 121.619 120.400 0.048 0.000 2.382 140 D HA -0.124 nan 4.640 nan 0.000 0.240 140 D C 0.362 176.690 176.300 0.047 0.000 1.146 140 D CA 0.478 54.503 54.000 0.043 0.000 0.897 140 D CB 0.520 41.339 40.800 0.032 0.000 1.197 140 D HN 0.124 8.519 8.370 0.042 0.000 0.432 141 N N -0.819 117.909 118.700 0.046 0.000 2.381 141 N HA -0.211 nan 4.740 nan 0.000 0.241 141 N C 1.168 176.706 175.510 0.046 0.000 1.279 141 N CA 0.925 54.003 53.050 0.046 0.000 0.896 141 N CB 0.053 38.567 38.487 0.044 0.000 1.118 141 N HN 0.261 8.667 8.380 0.044 0.000 0.438 142 G N 0.652 109.481 108.800 0.048 0.000 2.163 142 G HA2 -0.246 nan 3.960 nan 0.000 0.213 142 G HA3 -0.246 nan 3.960 nan 0.000 0.213 142 G C -0.031 174.918 174.900 0.082 0.000 0.991 142 G CA 0.204 45.341 45.100 0.062 0.000 0.653 142 G HN 0.318 8.634 8.290 0.042 0.000 0.518 143 R N -1.334 119.208 120.500 0.071 0.000 2.300 143 R HA 0.000 nan 4.340 nan 0.000 0.199 143 R C -0.171 176.240 176.300 0.184 0.000 0.920 143 R CA 0.132 56.292 56.100 0.099 0.000 1.046 143 R CB 0.583 30.911 30.300 0.046 0.000 0.984 143 R HN 0.003 8.302 8.270 0.049 0.000 0.493 144 L N -0.676 120.594 121.223 0.079 0.000 2.379 144 L HA 0.255 nan 4.340 nan 0.000 0.269 144 L C -1.908 174.917 176.870 -0.075 0.000 1.084 144 L CA -2.759 52.071 54.840 -0.018 0.000 0.802 144 L CB 0.159 42.068 42.059 -0.249 0.000 1.175 144 L HN -0.442 7.757 8.230 0.040 0.056 0.448 145 P HA 0.116 nan 4.420 nan 0.000 0.284 145 P C -1.643 175.623 177.300 -0.057 0.000 1.253 145 P CA -0.841 61.982 63.100 -0.461 0.000 0.800 145 P CB 0.605 31.666 31.700 -1.064 0.000 0.961 146 D N 4.075 124.502 120.400 0.044 0.000 2.362 146 D HA 0.032 nan 4.640 nan 0.000 0.242 146 D C 0.264 176.530 176.300 -0.056 0.000 1.132 146 D CA 0.157 54.132 54.000 -0.041 0.000 0.907 146 D CB 0.838 41.535 40.800 -0.171 0.000 1.195 146 D HN -0.027 8.472 8.370 0.215 0.000 0.429 147 A N -0.670 122.140 122.820 -0.017 0.000 2.195 147 A HA 0.060 nan 4.320 nan 0.000 0.210 147 A C -0.550 177.005 177.584 -0.048 0.000 1.165 147 A CA 1.318 53.318 52.037 -0.062 0.000 0.806 147 A CB 0.457 19.318 19.000 -0.232 0.000 0.847 147 A HN 0.169 8.344 8.150 0.041 0.000 0.482 148 D N -4.192 116.204 120.400 -0.007 0.000 2.538 148 D HA 0.009 nan 4.640 nan 0.000 0.234 148 D C -0.980 175.295 176.300 -0.041 0.000 1.191 148 D CA -0.548 53.471 54.000 0.031 0.000 0.828 148 D CB -1.741 39.100 40.800 0.069 0.000 0.981 148 D HN 0.236 8.595 8.370 -0.019 0.000 0.490 149 K N -0.880 119.472 120.400 -0.080 0.000 2.261 149 K HA 0.254 nan 4.320 nan 0.000 0.242 149 K C -1.642 175.000 176.600 0.069 0.000 1.083 149 K CA -1.742 54.482 56.287 -0.105 0.000 0.880 149 K CB 2.301 34.496 32.500 -0.508 0.000 1.353 149 K HN -0.719 7.444 8.250 -0.037 0.065 0.486 150 D N -4.097 116.387 120.400 0.141 0.000 2.588 150 D HA 0.096 nan 4.640 nan 0.000 0.268 150 D C 0.730 177.186 176.300 0.260 0.000 1.176 150 D CA -1.099 53.015 54.000 0.191 0.000 1.080 150 D CB 1.577 42.475 40.800 0.164 0.000 1.186 150 D HN -0.170 8.281 8.370 0.135 0.000 0.619 151 A N -1.353 121.613 122.820 0.243 0.000 2.015 151 A HA -0.201 nan 4.320 nan 0.000 0.219 151 A C 1.756 179.515 177.584 0.292 0.000 1.163 151 A CA 2.873 55.104 52.037 0.323 0.000 0.646 151 A CB -0.388 18.785 19.000 0.288 0.000 0.806 151 A HN 0.478 8.746 8.150 0.197 0.000 0.448 152 G N -1.173 107.757 108.800 0.218 0.000 2.394 152 G HA2 -0.275 nan 3.960 nan 0.000 0.215 152 G HA3 -0.275 nan 3.960 nan 0.000 0.215 152 G C 0.760 175.801 174.900 0.235 0.000 1.165 152 G CA 1.352 46.560 45.100 0.181 0.000 0.784 152 G HN -0.252 8.299 8.290 0.197 -0.143 0.535 153 Y N 3.044 123.445 120.300 0.169 0.000 2.128 153 Y HA -0.461 nan 4.550 nan 0.000 0.284 153 Y C 1.720 177.783 175.900 0.272 0.000 1.154 153 Y CA 3.985 62.200 58.100 0.190 0.000 1.149 153 Y CB 0.198 38.750 38.460 0.154 0.000 0.976 153 Y HN -0.646 8.099 8.280 0.373 -0.241 0.505 154 V N -0.829 119.339 119.914 0.424 0.000 2.332 154 V HA -0.552 nan 4.120 nan 0.000 0.248 154 V C 2.089 178.478 176.094 0.491 0.000 1.055 154 V CA 4.384 66.956 62.300 0.452 0.000 1.038 154 V CB -1.186 30.897 31.823 0.433 0.000 0.651 154 V HN -0.220 8.267 8.190 0.496 0.000 0.450 155 R N -1.664 119.077 120.500 0.401 0.000 2.075 155 R HA -0.350 nan 4.340 nan 0.000 0.232 155 R C 2.209 178.643 176.300 0.224 0.000 1.126 155 R CA 3.709 60.009 56.100 0.332 0.000 0.963 155 R CB -0.067 30.347 30.300 0.191 0.000 0.858 155 R HN -0.208 8.294 8.270 0.386 0.000 0.435 156 T N 1.726 116.366 114.554 0.142 0.000 2.812 156 T HA -0.221 nan 4.350 nan 0.000 0.264 156 T C 1.840 176.535 174.700 -0.009 0.000 1.042 156 T CA 4.861 66.993 62.100 0.053 0.000 1.140 156 T CB -0.469 68.414 68.868 0.025 0.000 0.870 156 T HN -0.396 7.934 8.240 0.149 0.000 0.445 157 F N 2.828 122.667 119.950 -0.184 0.000 2.069 157 F HA -0.425 nan 4.527 nan 0.000 0.298 157 F C 1.330 177.034 175.800 -0.160 0.000 1.113 157 F CA 3.516 61.349 58.000 -0.277 0.000 1.214 157 F CB 0.332 39.053 39.000 -0.465 0.000 0.978 157 F HN 0.109 8.421 8.300 0.021 0.000 0.474 158 F N -2.150 117.856 119.950 0.094 0.000 2.604 158 F HA -0.265 nan 4.527 nan 0.000 0.298 158 F C 1.604 177.397 175.800 -0.012 0.000 1.131 158 F CA 3.187 61.222 58.000 0.059 0.000 1.457 158 F CB -0.279 38.843 39.000 0.203 0.000 1.095 158 F HN -0.042 8.572 8.300 0.523 0.000 0.574 159 Q N 0.492 120.351 119.800 0.098 0.000 2.224 159 Q HA -0.340 nan 4.340 nan 0.000 0.203 159 Q C 1.804 177.758 176.000 -0.075 0.000 0.970 159 Q CA 2.916 58.743 55.803 0.040 0.000 0.865 159 Q CB -0.555 28.206 28.738 0.037 0.000 0.922 159 Q HN -0.327 7.977 8.270 0.116 0.035 0.445 160 R N -1.282 119.089 120.500 -0.214 0.000 2.193 160 R HA -0.190 nan 4.340 nan 0.000 0.229 160 R C 0.898 177.019 176.300 -0.297 0.000 1.110 160 R CA 2.862 58.761 56.100 -0.334 0.000 0.988 160 R CB 0.074 30.109 30.300 -0.441 0.000 0.871 160 R HN -0.424 7.667 8.270 -0.275 0.014 0.458 161 L N -4.467 116.721 121.223 -0.058 0.000 2.910 161 L HA 0.102 nan 4.340 nan 0.000 0.252 161 L C -1.307 175.776 176.870 0.355 0.000 1.195 161 L CA -1.344 53.680 54.840 0.308 0.000 1.003 161 L CB -0.514 41.728 42.059 0.306 0.000 1.328 161 L HN -0.768 7.243 8.230 -0.079 0.171 0.540 162 N N -1.438 117.382 118.700 0.199 0.000 2.823 162 N HA -0.423 nan 4.740 nan 0.000 0.287 162 N C -0.727 174.886 175.510 0.172 0.000 1.007 162 N CA 0.957 54.105 53.050 0.163 0.000 0.840 162 N CB -1.086 37.479 38.487 0.130 0.000 0.944 162 N HN -0.492 7.845 8.380 0.078 0.090 0.590 163 M N -0.278 119.448 119.600 0.209 0.000 2.238 163 M HA 0.172 nan 4.480 nan 0.000 0.350 163 M C -0.494 175.897 176.300 0.153 0.000 1.138 163 M CA -1.742 53.670 55.300 0.186 0.000 1.040 163 M CB 0.215 32.975 32.600 0.266 0.000 1.639 163 M HN -0.154 8.264 8.290 0.243 0.018 0.451 164 N N 3.945 122.712 118.700 0.111 0.000 2.495 164 N HA 0.125 nan 4.740 nan 0.000 0.294 164 N C -0.027 175.558 175.510 0.126 0.000 1.276 164 N CA -1.150 51.965 53.050 0.109 0.000 0.973 164 N CB 0.629 39.165 38.487 0.081 0.000 1.143 164 N HN 0.269 8.991 8.380 0.094 -0.285 0.589 165 D N 0.034 120.522 120.400 0.147 0.000 2.104 165 D HA -0.293 nan 4.640 nan 0.000 0.194 165 D C 2.363 178.779 176.300 0.193 0.000 0.994 165 D CA 4.369 58.516 54.000 0.244 0.000 0.830 165 D CB -0.272 40.635 40.800 0.178 0.000 0.959 165 D HN 0.357 8.794 8.370 0.111 0.000 0.452 166 R N -0.503 120.075 120.500 0.130 0.000 2.081 166 R HA -0.340 nan 4.340 nan 0.000 0.235 166 R C 1.973 178.365 176.300 0.153 0.000 1.131 166 R CA 3.055 59.236 56.100 0.135 0.000 0.960 166 R CB -0.226 30.140 30.300 0.110 0.000 0.856 166 R HN -0.016 8.385 8.270 0.108 -0.066 0.436 167 E N -0.215 120.040 120.200 0.093 0.000 2.077 167 E HA -0.365 nan 4.350 nan 0.000 0.193 167 E C 2.657 179.224 176.600 -0.055 0.000 0.989 167 E CA 3.159 59.585 56.400 0.042 0.000 0.800 167 E CB -0.207 29.511 29.700 0.030 0.000 0.746 167 E HN -0.470 8.226 8.360 0.088 -0.283 0.452 168 V N 0.493 120.324 119.914 -0.138 0.000 2.343 168 V HA -0.321 nan 4.120 nan 0.000 0.247 168 V C 2.055 177.982 176.094 -0.279 0.000 1.051 168 V CA 4.614 66.666 62.300 -0.413 0.000 1.036 168 V CB -0.807 30.786 31.823 -0.384 0.000 0.654 168 V HN 0.003 8.166 8.190 -0.046 0.000 0.451 169 V N -1.114 118.758 119.914 -0.069 0.000 2.379 169 V HA -0.392 nan 4.120 nan 0.000 0.245 169 V C 1.708 178.014 176.094 0.352 0.000 1.044 169 V CA 4.152 66.510 62.300 0.097 0.000 1.036 169 V CB -1.198 30.723 31.823 0.163 0.000 0.664 169 V HN -0.270 7.914 8.190 -0.009 0.000 0.453 170 A N -0.395 122.676 122.820 0.417 0.000 1.865 170 A HA -0.269 nan 4.320 nan 0.000 0.217 170 A C 2.353 180.211 177.584 0.457 0.000 1.191 170 A CA 3.166 55.480 52.037 0.462 0.000 0.623 170 A CB -0.643 18.535 19.000 0.298 0.000 0.826 170 A HN 0.004 8.370 8.150 0.360 0.000 0.444 171 L N -1.591 119.718 121.223 0.143 0.000 2.042 171 L HA -0.299 nan 4.340 nan 0.000 0.210 171 L C 2.531 179.340 176.870 -0.101 0.000 1.076 171 L CA 2.632 57.488 54.840 0.027 0.000 0.749 171 L CB -0.526 41.412 42.059 -0.200 0.000 0.893 171 L HN 0.030 8.283 8.230 0.037 0.000 0.432 172 M N -1.018 118.405 119.600 -0.294 0.000 2.358 172 M HA -0.203 nan 4.480 nan 0.000 0.264 172 M C 2.189 177.904 176.300 -0.976 0.000 1.064 172 M CA 1.929 56.862 55.300 -0.611 0.000 1.093 172 M CB -0.698 31.642 32.600 -0.433 0.000 1.401 172 M HN -0.221 7.934 8.290 -0.224 0.000 0.440 173 G N -2.218 106.238 108.800 -0.574 0.000 2.498 173 G HA2 -0.277 nan 3.960 nan 0.000 0.219 173 G HA3 -0.277 nan 3.960 nan 0.000 0.219 173 G C 0.289 174.785 174.900 -0.674 0.000 1.119 173 G CA 1.440 46.052 45.100 -0.812 0.000 0.766 173 G HN -0.007 8.104 8.290 -0.087 0.128 0.552 174 A N 1.576 124.131 122.820 -0.441 0.000 2.172 174 A HA -0.202 nan 4.320 nan 0.000 0.216 174 A C 1.391 178.787 177.584 -0.312 0.000 1.154 174 A CA 1.881 53.706 52.037 -0.353 0.000 0.701 174 A CB -0.632 18.311 19.000 -0.096 0.000 0.789 174 A HN -0.517 7.459 8.150 -0.238 0.031 0.465 175 H N -1.774 116.929 119.070 -0.613 0.000 2.563 175 H HA -0.197 nan 4.556 nan 0.000 0.272 175 H C 0.006 175.157 175.328 -0.296 0.000 1.005 175 H CA 0.264 56.040 56.048 -0.454 0.000 1.171 175 H CB -0.250 29.193 29.762 -0.533 0.000 1.351 175 H HN -0.199 7.416 8.280 -0.830 0.167 0.602 176 A N -2.387 120.286 122.820 -0.245 0.000 2.119 176 A HA -0.137 nan 4.320 nan 0.000 0.217 176 A C 0.035 177.530 177.584 -0.147 0.000 1.153 176 A CA 0.799 52.739 52.037 -0.161 0.000 0.692 176 A CB 0.363 19.220 19.000 -0.238 0.000 0.799 176 A HN -0.720 7.111 8.150 -0.451 0.049 0.458 177 L N -2.388 118.752 121.223 -0.138 0.000 2.334 177 L HA -0.096 nan 4.340 nan 0.000 0.277 177 L C 1.015 177.863 176.870 -0.036 0.000 1.075 177 L CA -0.104 54.692 54.840 -0.072 0.000 0.804 177 L CB 0.469 42.504 42.059 -0.040 0.000 1.174 177 L HN -0.651 7.312 8.230 -0.170 0.165 0.438 178 G N 3.697 112.485 108.800 -0.020 0.000 2.566 178 G HA2 -0.413 nan 3.960 nan 0.000 0.280 178 G HA3 -0.413 nan 3.960 nan 0.000 0.280 178 G C -2.413 172.449 174.900 -0.063 0.000 1.225 178 G CA 0.875 45.969 45.100 -0.010 0.000 0.966 178 G HN 0.823 8.992 8.290 -0.017 0.111 0.560 179 K N -1.998 118.333 120.400 -0.115 0.000 2.615 179 K HA 0.456 nan 4.320 nan 0.000 0.291 179 K C -1.881 174.500 176.600 -0.365 0.000 1.017 179 K CA -1.684 54.462 56.287 -0.236 0.000 0.882 179 K CB 2.932 35.262 32.500 -0.283 0.000 1.522 179 K HN -0.294 7.925 8.250 -0.052 0.000 0.412 180 T N -2.515 111.863 114.554 -0.294 0.000 2.909 180 T HA 0.394 nan 4.350 nan 0.000 0.289 180 T C -0.198 174.301 174.700 -0.335 0.000 1.005 180 T CA -1.189 60.784 62.100 -0.212 0.000 1.084 180 T CB 0.909 69.752 68.868 -0.041 0.000 0.975 180 T HN 0.415 8.530 8.240 -0.210 0.000 0.509 181 H N 2.370 121.468 119.070 0.047 0.000 2.609 181 H HA 0.473 nan 4.556 nan 0.000 0.344 181 H C -0.077 175.274 175.328 0.037 0.000 1.040 181 H CA -0.882 55.182 56.048 0.027 0.000 1.216 181 H CB 2.034 31.799 29.762 0.006 0.000 1.529 181 H HN 0.291 8.644 8.280 0.120 0.000 0.519 182 L N 5.900 127.190 121.223 0.112 0.000 2.042 182 L HA -0.388 nan 4.340 nan 0.000 0.210 182 L C 0.787 177.686 176.870 0.048 0.000 1.076 182 L CA 4.029 58.901 54.840 0.054 0.000 0.749 182 L CB 0.283 42.353 42.059 0.018 0.000 0.893 182 L HN 0.324 8.914 8.230 0.095 -0.303 0.432 183 K N -2.735 117.699 120.400 0.057 0.000 2.365 183 K HA -0.279 nan 4.320 nan 0.000 0.199 183 K C 0.812 177.438 176.600 0.044 0.000 1.045 183 K CA 2.406 58.715 56.287 0.035 0.000 0.962 183 K CB -0.505 32.010 32.500 0.023 0.000 0.759 183 K HN 0.243 8.534 8.250 0.069 0.000 0.469 184 N N -2.091 116.655 118.700 0.076 0.000 2.278 184 N HA -0.041 nan 4.740 nan 0.000 0.181 184 N C 1.011 176.578 175.510 0.096 0.000 1.023 184 N CA 2.215 55.310 53.050 0.075 0.000 0.862 184 N CB 0.755 39.298 38.487 0.093 0.000 1.003 184 N HN -0.562 7.856 8.380 0.114 0.031 0.431 185 S N -3.729 112.050 115.700 0.132 0.000 2.603 185 S HA 0.155 nan 4.470 nan 0.000 0.232 185 S C 0.948 175.610 174.600 0.103 0.000 1.016 185 S CA -0.038 58.264 58.200 0.170 0.000 0.976 185 S CB 2.723 66.090 63.200 0.278 0.000 0.921 185 S HN -0.271 8.129 8.310 0.149 0.000 0.516 186 G N 1.310 110.102 108.800 -0.014 0.000 2.143 186 G HA2 -0.340 nan 3.960 nan 0.000 0.248 186 G HA3 -0.340 nan 3.960 nan 0.000 0.248 186 G C -1.689 172.902 174.900 -0.515 0.000 0.991 186 G CA 0.900 45.864 45.100 -0.227 0.000 0.689 186 G HN 0.045 8.348 8.290 0.020 0.000 0.522 187 Y N -2.675 117.632 120.300 0.012 0.000 2.545 187 Y HA 0.252 nan 4.550 nan 0.000 0.348 187 Y C -1.794 174.099 175.900 -0.011 0.000 1.002 187 Y CA -1.915 56.184 58.100 -0.002 0.000 1.039 187 Y CB 2.974 41.431 38.460 -0.005 0.000 1.271 187 Y HN -0.899 7.397 8.280 0.126 0.060 0.467 188 E N 1.082 121.366 120.200 0.139 0.000 2.290 188 E HA 0.248 nan 4.350 nan 0.000 0.274 188 E C -1.260 175.366 176.600 0.043 0.000 0.889 188 E CA -1.390 55.043 56.400 0.055 0.000 0.760 188 E CB 3.430 33.149 29.700 0.030 0.000 1.206 188 E HN 0.025 8.759 8.360 0.182 -0.265 0.419 189 G N 4.295 113.089 108.800 -0.010 0.000 2.406 189 G HA2 -0.158 nan 3.960 nan 0.000 0.680 189 G HA3 -0.158 nan 3.960 nan 0.000 0.680 189 G C -3.120 171.773 174.900 -0.012 0.000 1.338 189 G CA -0.666 44.443 45.100 0.014 0.000 0.941 189 G HN -0.143 8.106 8.290 -0.069 0.000 0.633 190 P HA 0.498 nan 4.420 nan 0.000 0.283 190 P C -0.272 177.055 177.300 0.045 0.000 1.271 190 P CA -1.213 61.890 63.100 0.005 0.000 0.841 190 P CB 1.396 33.102 31.700 0.010 0.000 1.122 191 G N -2.319 106.461 108.800 -0.033 0.000 2.939 191 G HA2 -0.090 nan 3.960 nan 0.000 0.210 191 G HA3 -0.090 nan 3.960 nan 0.000 0.210 191 G C -1.323 173.419 174.900 -0.263 0.000 1.160 191 G CA -0.433 44.654 45.100 -0.020 0.000 0.770 191 G HN 0.552 8.801 8.290 -0.068 0.000 0.543 192 G N -2.406 106.079 108.800 -0.525 0.000 2.428 192 G HA2 0.033 nan 3.960 nan 0.000 0.304 192 G HA3 0.033 nan 3.960 nan 0.000 0.304 192 G C -1.742 172.804 174.900 -0.590 0.000 1.303 192 G CA 0.299 44.800 45.100 -0.998 0.000 0.825 192 G HN -0.883 7.163 8.290 -0.307 0.060 0.484 193 A N -0.839 121.772 122.820 -0.348 0.000 1.911 193 A HA 0.080 nan 4.320 nan 0.000 0.212 193 A C 0.795 178.358 177.584 -0.034 0.000 1.189 193 A CA 1.613 53.626 52.037 -0.041 0.000 0.639 193 A CB 1.129 20.168 19.000 0.064 0.000 0.839 193 A HN 0.135 8.329 8.150 -0.406 -0.287 0.449 194 A N -0.576 122.212 122.820 -0.054 0.000 3.126 194 A HA 0.221 nan 4.320 nan 0.000 0.268 194 A C -1.244 176.319 177.584 -0.036 0.000 1.605 194 A CA -1.151 50.872 52.037 -0.023 0.000 1.305 194 A CB -1.714 17.280 19.000 -0.008 0.000 1.160 194 A HN -0.380 7.994 8.150 -0.082 -0.273 0.609 195 N N -1.199 117.481 118.700 -0.033 0.000 2.362 195 N HA -0.139 nan 4.740 nan 0.000 0.204 195 N C -0.852 174.653 175.510 -0.009 0.000 1.166 195 N CA 0.898 53.925 53.050 -0.038 0.000 0.831 195 N CB -0.135 38.325 38.487 -0.045 0.000 1.008 195 N HN -0.333 7.971 8.380 -0.024 0.062 0.472 196 N N -3.042 115.666 118.700 0.013 0.000 2.387 196 N HA 0.093 nan 4.740 nan 0.000 0.259 196 N C -1.681 173.858 175.510 0.049 0.000 1.369 196 N CA -0.745 52.324 53.050 0.032 0.000 0.867 196 N CB -0.584 37.928 38.487 0.041 0.000 1.341 196 N HN -0.149 8.176 8.380 0.014 0.064 0.495 197 V N -0.321 119.623 119.914 0.049 0.000 2.709 197 V HA 0.339 nan 4.120 nan 0.000 0.308 197 V C -1.932 174.220 176.094 0.096 0.000 1.062 197 V CA -0.546 61.805 62.300 0.084 0.000 0.901 197 V CB 2.721 34.590 31.823 0.077 0.000 1.003 197 V HN -0.800 7.404 8.190 0.024 0.000 0.425 198 F N 8.052 127.997 119.950 -0.008 0.000 2.421 198 F HA 0.191 nan 4.527 nan 0.000 0.358 198 F C -0.979 174.924 175.800 0.172 0.000 1.115 198 F CA 0.225 58.206 58.000 -0.032 0.000 1.160 198 F CB 0.732 39.597 39.000 -0.226 0.000 1.123 198 F HN 0.595 9.043 8.300 0.247 0.000 0.508 199 T N 2.344 116.909 114.554 0.019 0.000 2.696 199 T HA 0.229 nan 4.350 nan 0.000 0.291 199 T C -1.362 173.443 174.700 0.176 0.000 1.095 199 T CA -2.031 60.205 62.100 0.226 0.000 1.026 199 T CB 2.702 71.630 68.868 0.100 0.000 1.390 199 T HN -0.198 7.887 8.240 -0.258 0.000 0.513 200 N N -2.414 116.383 118.700 0.162 0.000 2.375 200 N HA -0.014 nan 4.740 nan 0.000 0.220 200 N C 0.707 176.228 175.510 0.018 0.000 1.170 200 N CA -0.101 52.974 53.050 0.041 0.000 0.833 200 N CB -1.515 37.023 38.487 0.085 0.000 1.069 200 N HN 0.276 8.734 8.380 0.130 0.000 0.479 201 E N 1.144 121.317 120.200 -0.046 0.000 2.110 201 E HA -0.369 nan 4.350 nan 0.000 0.193 201 E C 0.897 177.450 176.600 -0.078 0.000 0.988 201 E CA 3.089 59.456 56.400 -0.054 0.000 0.804 201 E CB -0.254 29.396 29.700 -0.083 0.000 0.745 201 E HN -0.787 7.425 8.360 -0.065 0.109 0.458 202 F N -0.295 119.428 119.950 -0.379 0.000 2.120 202 F HA -0.405 nan 4.527 nan 0.000 0.300 202 F C 1.542 177.086 175.800 -0.428 0.000 1.095 202 F CA 3.459 61.175 58.000 -0.473 0.000 1.249 202 F CB -0.113 38.452 39.000 -0.725 0.000 0.995 202 F HN -0.019 8.190 8.300 -0.152 0.000 0.480 203 Y N -3.017 117.221 120.300 -0.103 0.000 2.220 203 Y HA -0.384 nan 4.550 nan 0.000 0.291 203 Y C 2.168 177.989 175.900 -0.132 0.000 1.129 203 Y CA 3.799 61.797 58.100 -0.170 0.000 1.161 203 Y CB -0.605 37.804 38.460 -0.084 0.000 0.997 203 Y HN -0.765 7.293 8.280 -0.345 0.016 0.522 204 L N -1.132 120.132 121.223 0.068 0.000 2.046 204 L HA -0.562 nan 4.340 nan 0.000 0.208 204 L C 2.107 179.000 176.870 0.039 0.000 1.077 204 L CA 3.171 58.036 54.840 0.042 0.000 0.747 204 L CB -0.641 41.440 42.059 0.037 0.000 0.896 204 L HN -0.679 7.609 8.230 0.096 0.000 0.432 205 N N -0.689 118.030 118.700 0.031 0.000 2.084 205 N HA -0.295 nan 4.740 nan 0.000 0.190 205 N C 2.399 178.104 175.510 0.325 0.000 1.030 205 N CA 3.017 56.161 53.050 0.157 0.000 0.849 205 N CB -0.544 38.048 38.487 0.174 0.000 1.012 205 N HN -0.039 8.332 8.380 -0.015 0.000 0.423 206 L N -0.197 121.074 121.223 0.080 0.000 2.079 206 L HA -0.241 nan 4.340 nan 0.000 0.210 206 L C 1.981 178.913 176.870 0.104 0.000 1.081 206 L CA 3.139 57.976 54.840 -0.006 0.000 0.752 206 L CB -0.045 41.698 42.059 -0.527 0.000 0.896 206 L HN -0.366 7.774 8.230 -0.150 0.000 0.433 207 L N -3.106 118.143 121.223 0.042 0.000 2.270 207 L HA -0.250 nan 4.340 nan 0.000 0.210 207 L C 1.336 178.240 176.870 0.057 0.000 1.104 207 L CA 2.223 57.084 54.840 0.034 0.000 0.804 207 L CB 0.120 42.183 42.059 0.006 0.000 0.937 207 L HN -0.114 8.120 8.230 0.007 0.000 0.450 208 N N -4.182 114.557 118.700 0.065 0.000 2.227 208 N HA 0.050 nan 4.740 nan 0.000 0.196 208 N C -0.204 175.278 175.510 -0.048 0.000 1.142 208 N CA 0.036 53.095 53.050 0.015 0.000 0.887 208 N CB 1.609 40.102 38.487 0.011 0.000 1.022 208 N HN -0.146 8.195 8.380 0.090 0.093 0.500 209 E N 0.325 120.459 120.200 -0.110 0.000 2.319 209 E HA 0.047 nan 4.350 nan 0.000 0.268 209 E C -0.904 175.390 176.600 -0.512 0.000 1.050 209 E CA -0.368 55.765 56.400 -0.445 0.000 0.878 209 E CB 1.008 30.140 29.700 -0.946 0.000 1.066 209 E HN -0.468 7.918 8.360 0.043 0.000 0.406 210 D N 3.293 123.432 120.400 -0.436 0.000 2.453 210 D HA 0.039 nan 4.640 nan 0.000 0.223 210 D C -1.022 175.130 176.300 -0.247 0.000 1.183 210 D CA -1.317 52.550 54.000 -0.222 0.000 0.933 210 D CB -0.598 40.119 40.800 -0.139 0.000 1.038 210 D HN 0.201 8.315 8.370 -0.427 0.000 0.513 211 W N 2.323 123.710 121.300 0.144 0.000 2.266 211 W HA 0.050 nan 4.660 nan 0.000 0.317 211 W C -0.629 176.064 176.519 0.290 0.000 1.310 211 W CA -0.873 56.608 57.345 0.227 0.000 1.207 211 W CB 0.966 30.596 29.460 0.283 0.000 1.199 211 W HN -0.554 7.692 8.180 0.111 0.000 0.544 212 K N 3.314 123.978 120.400 0.440 0.000 2.345 212 K HA 0.331 nan 4.320 nan 0.000 0.255 212 K C -1.623 174.951 176.600 -0.043 0.000 0.934 212 K CA -1.833 54.579 56.287 0.209 0.000 0.801 212 K CB 3.384 35.930 32.500 0.075 0.000 1.137 212 K HN 0.816 9.209 8.250 0.429 0.114 0.424 213 L N 6.236 127.163 121.223 -0.493 0.000 2.361 213 L HA 0.167 nan 4.340 nan 0.000 0.278 213 L C -0.934 175.671 176.870 -0.441 0.000 1.113 213 L CA 0.340 54.626 54.840 -0.922 0.000 0.849 213 L CB 0.444 41.755 42.059 -1.246 0.000 1.155 213 L HN 0.488 8.505 8.230 -0.354 0.000 0.452 214 E N 6.763 126.755 120.200 -0.347 0.000 2.393 214 E HA 0.371 nan 4.350 nan 0.000 0.273 214 E C -1.635 174.867 176.600 -0.163 0.000 0.918 214 E CA -1.981 54.303 56.400 -0.194 0.000 0.773 214 E CB 4.120 33.753 29.700 -0.112 0.000 1.275 214 E HN 0.696 8.816 8.360 -0.400 0.000 0.451 215 K N 1.148 121.477 120.400 -0.119 0.000 2.205 215 K HA 0.273 nan 4.320 nan 0.000 0.279 215 K C -0.442 176.111 176.600 -0.078 0.000 1.027 215 K CA -0.084 56.144 56.287 -0.098 0.000 0.932 215 K CB 1.075 33.523 32.500 -0.086 0.000 1.032 215 K HN 0.336 8.520 8.250 -0.109 0.000 0.466 216 N N 5.464 124.116 118.700 -0.080 0.000 2.476 216 N HA 0.148 nan 4.740 nan 0.000 0.287 216 N C 0.778 176.245 175.510 -0.071 0.000 1.262 216 N CA -0.967 52.043 53.050 -0.067 0.000 0.980 216 N CB 0.524 38.972 38.487 -0.064 0.000 1.163 216 N HN 0.418 8.741 8.380 -0.095 0.000 0.592 217 D N -1.859 118.505 120.400 -0.059 0.000 2.350 217 D HA -0.194 nan 4.640 nan 0.000 0.216 217 D C -0.008 176.251 176.300 -0.068 0.000 0.968 217 D CA 2.810 56.778 54.000 -0.054 0.000 0.894 217 D CB -0.606 40.171 40.800 -0.038 0.000 0.909 217 D HN 0.528 8.869 8.370 -0.048 0.000 0.520 218 A N -2.257 120.503 122.820 -0.101 0.000 2.307 218 A HA 0.024 nan 4.320 nan 0.000 0.218 218 A C -0.427 177.085 177.584 -0.121 0.000 1.228 218 A CA -0.213 51.755 52.037 -0.115 0.000 0.857 218 A CB 0.355 19.258 19.000 -0.161 0.000 0.897 218 A HN -0.356 7.941 8.150 -0.119 -0.218 0.495 219 N N -5.102 113.533 118.700 -0.109 0.000 2.829 219 N HA -0.476 nan 4.740 nan 0.000 0.250 219 N C -1.431 174.007 175.510 -0.119 0.000 1.090 219 N CA 1.301 54.292 53.050 -0.097 0.000 0.781 219 N CB -1.353 37.090 38.487 -0.074 0.000 1.124 219 N HN 0.009 8.252 8.380 -0.101 0.077 0.559 220 N N -0.411 118.183 118.700 -0.177 0.000 2.456 220 N HA 0.218 nan 4.740 nan 0.000 0.296 220 N C -1.463 173.983 175.510 -0.107 0.000 1.102 220 N CA -0.424 52.511 53.050 -0.192 0.000 0.924 220 N CB 2.176 40.365 38.487 -0.497 0.000 1.186 220 N HN -0.508 7.973 8.380 -0.203 -0.223 0.492 221 E N 0.423 120.605 120.200 -0.029 0.000 2.301 221 E HA 0.288 nan 4.350 nan 0.000 0.275 221 E C -1.318 175.310 176.600 0.046 0.000 1.030 221 E CA 0.263 56.631 56.400 -0.053 0.000 0.852 221 E CB 1.047 30.678 29.700 -0.115 0.000 1.060 221 E HN 0.395 8.753 8.360 -0.003 0.000 0.401 222 Q N -0.989 118.770 119.800 -0.068 0.000 2.462 222 Q HA 0.637 nan 4.340 nan 0.000 0.285 222 Q C -1.608 174.263 176.000 -0.216 0.000 1.035 222 Q CA -2.089 53.704 55.803 -0.016 0.000 0.799 222 Q CB 3.814 32.658 28.738 0.177 0.000 1.452 222 Q HN 0.634 8.818 8.270 -0.144 0.000 0.404 223 W N -0.023 121.246 121.300 -0.051 0.000 2.332 223 W HA 0.149 nan 4.660 nan 0.000 0.306 223 W C -0.807 175.845 176.519 0.222 0.000 1.149 223 W CA 0.035 57.362 57.345 -0.030 0.000 1.271 223 W CB 0.715 29.991 29.460 -0.306 0.000 1.243 223 W HN 0.487 8.810 8.180 0.238 0.000 0.459 224 D N 5.149 125.792 120.400 0.405 0.000 2.248 224 D HA 0.765 nan 4.640 nan 0.000 0.246 224 D C -0.884 175.591 176.300 0.293 0.000 1.027 224 D CA -1.059 53.158 54.000 0.361 0.000 0.853 224 D CB 3.454 44.340 40.800 0.144 0.000 1.243 224 D HN 0.804 9.222 8.370 0.238 0.094 0.462 225 S N 1.239 116.980 115.700 0.069 0.000 2.607 225 S HA 0.627 nan 4.470 nan 0.000 0.303 225 S C 1.156 175.601 174.600 -0.259 0.000 1.086 225 S CA -1.819 56.202 58.200 -0.298 0.000 0.995 225 S CB 3.129 65.813 63.200 -0.861 0.000 1.084 225 S HN 0.492 8.894 8.310 0.152 0.000 0.507 226 K N 4.373 124.612 120.400 -0.267 0.000 2.127 226 K HA -0.304 nan 4.320 nan 0.000 0.208 226 K C 1.658 178.093 176.600 -0.276 0.000 1.047 226 K CA 2.753 58.909 56.287 -0.219 0.000 0.927 226 K CB -0.341 32.045 32.500 -0.190 0.000 0.716 226 K HN 0.682 8.768 8.250 -0.273 0.000 0.450 227 S N -2.877 112.559 115.700 -0.440 0.000 2.500 227 S HA -0.108 nan 4.470 nan 0.000 0.239 227 S C 0.828 175.063 174.600 -0.609 0.000 0.989 227 S CA 0.733 58.561 58.200 -0.621 0.000 0.951 227 S CB 0.465 62.985 63.200 -1.134 0.000 0.759 227 S HN -0.245 7.772 8.310 -0.479 0.006 0.523 228 G N -0.761 107.802 108.800 -0.395 0.000 2.131 228 G HA2 -0.369 nan 3.960 nan 0.000 0.223 228 G HA3 -0.369 nan 3.960 nan 0.000 0.223 228 G C -0.758 174.150 174.900 0.012 0.000 0.990 228 G CA 0.061 45.060 45.100 -0.168 0.000 0.671 228 G HN -0.148 7.765 8.290 -0.326 0.181 0.521 229 Y N -1.406 118.920 120.300 0.044 0.000 2.403 229 Y HA 0.348 nan 4.550 nan 0.000 0.323 229 Y C -1.321 174.776 175.900 0.328 0.000 1.226 229 Y CA -3.308 54.886 58.100 0.157 0.000 1.235 229 Y CB 1.246 39.829 38.460 0.204 0.000 1.248 229 Y HN -0.892 7.079 8.280 -0.420 0.057 0.489 230 M N -2.307 117.597 119.600 0.507 0.000 2.619 230 M HA 0.856 nan 4.480 nan 0.000 0.297 230 M C -1.397 175.005 176.300 0.171 0.000 1.229 230 M CA -1.174 54.364 55.300 0.397 0.000 0.860 230 M CB 3.989 36.718 32.600 0.215 0.000 1.741 230 M HN 0.545 9.081 8.290 0.411 0.000 0.462 231 M N -0.300 119.299 119.600 -0.002 0.000 2.393 231 M HA 0.404 nan 4.480 nan 0.000 0.299 231 M C -1.470 174.825 176.300 -0.008 0.000 1.103 231 M CA -1.624 53.573 55.300 -0.171 0.000 0.910 231 M CB 4.341 36.584 32.600 -0.595 0.000 1.659 231 M HN 0.812 9.183 8.290 0.135 0.000 0.445 232 L N 2.504 123.690 121.223 -0.062 0.000 2.464 232 L HA 0.125 nan 4.340 nan 0.000 0.264 232 L C -0.903 176.012 176.870 0.074 0.000 1.199 232 L CA -1.146 53.633 54.840 -0.102 0.000 0.818 232 L CB -1.045 40.877 42.059 -0.229 0.000 1.102 232 L HN -0.026 8.414 8.230 -0.080 -0.258 0.473 233 P HA -0.280 nan 4.420 nan 0.000 0.216 233 P C 1.156 178.547 177.300 0.151 0.000 1.153 233 P CA 3.185 66.422 63.100 0.229 0.000 0.858 233 P CB 0.022 31.830 31.700 0.180 0.000 0.789 234 T N -5.503 109.104 114.554 0.088 0.000 2.833 234 T HA -0.327 nan 4.350 nan 0.000 0.269 234 T C 1.772 176.526 174.700 0.091 0.000 1.054 234 T CA 4.199 66.364 62.100 0.109 0.000 1.135 234 T CB -0.860 68.080 68.868 0.120 0.000 0.869 234 T HN -0.257 8.008 8.240 0.041 0.000 0.466 235 D N 2.298 122.747 120.400 0.082 0.000 2.097 235 D HA -0.213 nan 4.640 nan 0.000 0.197 235 D C 2.015 178.262 176.300 -0.089 0.000 0.984 235 D CA 3.151 57.200 54.000 0.081 0.000 0.826 235 D CB -0.579 40.288 40.800 0.112 0.000 0.973 235 D HN -0.780 7.536 8.370 0.065 0.093 0.460 236 Y N 1.550 121.670 120.300 -0.301 0.000 2.256 236 Y HA -0.431 nan 4.550 nan 0.000 0.288 236 Y C 1.922 177.631 175.900 -0.317 0.000 1.155 236 Y CA 3.048 60.837 58.100 -0.518 0.000 1.203 236 Y CB 0.170 38.101 38.460 -0.882 0.000 0.980 236 Y HN 0.028 8.317 8.280 0.014 0.000 0.530 237 S N 0.194 115.865 115.700 -0.050 0.000 2.400 237 S HA -0.443 nan 4.470 nan 0.000 0.234 237 S C 1.797 176.393 174.600 -0.006 0.000 1.049 237 S CA 3.920 62.129 58.200 0.015 0.000 1.039 237 S CB -0.763 62.516 63.200 0.132 0.000 0.856 237 S HN 0.037 8.376 8.310 0.055 0.004 0.465 238 L N -2.880 118.295 121.223 -0.081 0.000 2.353 238 L HA -0.249 nan 4.340 nan 0.000 0.220 238 L C 0.656 177.472 176.870 -0.090 0.000 1.133 238 L CA 2.235 57.041 54.840 -0.055 0.000 0.798 238 L CB -0.260 41.725 42.059 -0.123 0.000 0.922 238 L HN -0.655 7.371 8.230 -0.118 0.133 0.445 239 I N -9.546 110.850 120.570 -0.290 0.000 3.968 239 I HA 0.042 nan 4.170 nan 0.000 0.328 239 I C 0.850 176.817 176.117 -0.248 0.000 1.290 239 I CA 0.437 61.557 61.300 -0.300 0.000 1.163 239 I CB 0.391 38.110 38.000 -0.468 0.000 1.024 239 I HN -0.240 7.580 8.210 -0.443 0.124 0.413 240 Q N -0.007 119.669 119.800 -0.208 0.000 2.302 240 Q HA -0.085 nan 4.340 nan 0.000 0.202 240 Q C 0.255 176.239 176.000 -0.027 0.000 0.936 240 Q CA 1.109 56.852 55.803 -0.101 0.000 0.886 240 Q CB 0.915 29.627 28.738 -0.044 0.000 0.986 240 Q HN -0.420 7.545 8.270 -0.221 0.173 0.487 241 D N 0.095 120.504 120.400 0.015 0.000 2.225 241 D HA 0.342 nan 4.640 nan 0.000 0.248 241 D C -1.067 175.216 176.300 -0.028 0.000 1.096 241 D CA -2.891 51.105 54.000 -0.008 0.000 0.863 241 D CB 2.509 43.295 40.800 -0.024 0.000 1.156 241 D HN -0.599 7.797 8.370 0.044 0.000 0.450 242 P HA -0.097 nan 4.420 nan 0.000 0.217 242 P C 1.358 178.628 177.300 -0.050 0.000 1.151 242 P CA 1.974 65.047 63.100 -0.046 0.000 0.828 242 P CB 0.581 32.255 31.700 -0.044 0.000 0.788 243 K N -1.248 119.098 120.400 -0.091 0.000 2.057 243 K HA -0.252 nan 4.320 nan 0.000 0.206 243 K C 2.701 179.299 176.600 -0.004 0.000 1.050 243 K CA 2.902 59.137 56.287 -0.087 0.000 0.935 243 K CB -0.292 32.111 32.500 -0.160 0.000 0.715 243 K HN -0.594 7.672 8.250 -0.124 -0.091 0.439 244 Y N -1.997 118.284 120.300 -0.031 0.000 2.274 244 Y HA -0.288 nan 4.550 nan 0.000 0.290 244 Y C 2.234 178.099 175.900 -0.058 0.000 1.145 244 Y CA 1.252 59.333 58.100 -0.031 0.000 1.203 244 Y CB -0.450 38.003 38.460 -0.013 0.000 0.984 244 Y HN -0.562 7.932 8.280 -0.119 -0.286 0.533 245 L N -0.655 120.616 121.223 0.079 0.000 2.093 245 L HA -0.362 nan 4.340 nan 0.000 0.208 245 L C 1.393 178.240 176.870 -0.039 0.000 1.085 245 L CA 2.940 57.776 54.840 -0.006 0.000 0.755 245 L CB -0.480 41.556 42.059 -0.037 0.000 0.904 245 L HN 0.022 8.296 8.230 0.074 0.000 0.435 246 S N -0.099 115.575 115.700 -0.043 0.000 2.399 246 S HA -0.309 nan 4.470 nan 0.000 0.231 246 S C 2.169 176.688 174.600 -0.135 0.000 1.022 246 S CA 3.540 61.695 58.200 -0.075 0.000 0.983 246 S CB -0.796 62.364 63.200 -0.065 0.000 0.803 246 S HN -0.447 7.847 8.310 -0.027 0.000 0.480 247 I N 1.443 121.925 120.570 -0.147 0.000 2.286 247 I HA -0.365 nan 4.170 nan 0.000 0.245 247 I C 1.321 177.164 176.117 -0.456 0.000 1.104 247 I CA 3.477 64.578 61.300 -0.331 0.000 1.397 247 I CB -0.231 37.636 38.000 -0.221 0.000 1.072 247 I HN -0.861 7.289 8.210 -0.067 0.020 0.417 248 V N 0.953 120.754 119.914 -0.190 0.000 2.282 248 V HA -0.598 nan 4.120 nan 0.000 0.249 248 V C 2.007 178.016 176.094 -0.142 0.000 1.057 248 V CA 5.055 67.305 62.300 -0.083 0.000 1.032 248 V CB -1.296 30.557 31.823 0.049 0.000 0.645 248 V HN 0.108 8.248 8.190 -0.084 0.000 0.447 249 K N -2.121 118.203 120.400 -0.126 0.000 2.097 249 K HA -0.409 nan 4.320 nan 0.000 0.206 249 K C 2.157 178.682 176.600 -0.126 0.000 1.049 249 K CA 3.724 59.952 56.287 -0.099 0.000 0.933 249 K CB -0.444 32.008 32.500 -0.079 0.000 0.717 249 K HN -0.061 8.122 8.250 -0.113 0.000 0.442 250 E N -0.243 119.829 120.200 -0.213 0.000 2.072 250 E HA -0.295 nan 4.350 nan 0.000 0.191 250 E C 2.687 179.206 176.600 -0.135 0.000 0.985 250 E CA 3.059 59.334 56.400 -0.210 0.000 0.801 250 E CB 0.053 29.554 29.700 -0.331 0.000 0.750 250 E HN -0.663 7.443 8.360 -0.258 0.099 0.452 251 Y N -2.684 117.455 120.300 -0.268 0.000 2.314 251 Y HA -0.194 nan 4.550 nan 0.000 0.293 251 Y C 1.619 177.340 175.900 -0.299 0.000 1.129 251 Y CA 0.626 58.488 58.100 -0.398 0.000 1.201 251 Y CB -0.530 37.297 38.460 -1.057 0.000 0.999 251 Y HN -0.296 7.657 8.280 -0.546 0.000 0.541 252 A N -1.479 121.300 122.820 -0.068 0.000 1.969 252 A HA -0.163 nan 4.320 nan 0.000 0.218 252 A C 1.104 178.694 177.584 0.010 0.000 1.169 252 A CA 2.118 54.166 52.037 0.019 0.000 0.635 252 A CB -0.088 18.930 19.000 0.031 0.000 0.810 252 A HN -0.160 7.913 8.150 -0.128 0.000 0.445 253 N N -3.985 114.712 118.700 -0.006 0.000 2.412 253 N HA -0.069 nan 4.740 nan 0.000 0.184 253 N C -0.536 174.980 175.510 0.010 0.000 1.101 253 N CA 1.011 54.060 53.050 -0.001 0.000 0.881 253 N CB 1.038 39.517 38.487 -0.013 0.000 0.969 253 N HN -0.474 7.890 8.380 -0.026 0.000 0.459 254 D N -0.512 119.908 120.400 0.034 0.000 2.337 254 D HA 0.217 nan 4.640 nan 0.000 0.238 254 D C -0.918 175.426 176.300 0.074 0.000 1.331 254 D CA -0.342 53.685 54.000 0.045 0.000 0.967 254 D CB 1.019 41.855 40.800 0.060 0.000 1.382 254 D HN -0.669 7.556 8.370 0.043 0.171 0.549 255 Q N 4.639 124.439 119.800 -0.000 0.000 2.124 255 Q HA -0.370 nan 4.340 nan 0.000 0.202 255 Q C 1.130 177.016 176.000 -0.190 0.000 0.977 255 Q CA 3.588 59.352 55.803 -0.065 0.000 0.850 255 Q CB 0.209 28.819 28.738 -0.212 0.000 0.901 255 Q HN 0.512 8.770 8.270 -0.019 0.000 0.429 256 D N -1.243 119.067 120.400 -0.151 0.000 2.144 256 D HA -0.236 nan 4.640 nan 0.000 0.200 256 D C 2.084 178.408 176.300 0.040 0.000 0.978 256 D CA 3.236 57.180 54.000 -0.093 0.000 0.833 256 D CB -0.494 40.277 40.800 -0.048 0.000 0.961 256 D HN -0.264 8.093 8.370 -0.114 -0.054 0.470 257 K N 0.577 121.030 120.400 0.090 0.000 2.026 257 K HA -0.222 nan 4.320 nan 0.000 0.208 257 K C 1.858 178.569 176.600 0.185 0.000 1.048 257 K CA 2.188 58.575 56.287 0.165 0.000 0.929 257 K CB -0.365 32.262 32.500 0.211 0.000 0.713 257 K HN -0.537 8.074 8.250 0.074 -0.317 0.439 258 F N 1.278 121.205 119.950 -0.037 0.000 2.091 258 F HA -0.396 nan 4.527 nan 0.000 0.299 258 F C 1.739 177.590 175.800 0.086 0.000 1.103 258 F CA 2.626 60.401 58.000 -0.376 0.000 1.228 258 F CB -0.269 38.536 39.000 -0.324 0.000 0.984 258 F HN -0.309 8.153 8.300 0.270 0.000 0.477 259 F N -1.662 118.069 119.950 -0.366 0.000 2.126 259 F HA -0.426 nan 4.527 nan 0.000 0.299 259 F C 2.398 178.104 175.800 -0.157 0.000 1.096 259 F CA 1.920 59.725 58.000 -0.325 0.000 1.255 259 F CB -0.886 38.040 39.000 -0.123 0.000 0.997 259 F HN 0.313 8.718 8.300 0.175 0.000 0.479 260 K N -0.057 120.415 120.400 0.120 0.000 2.025 260 K HA -0.400 nan 4.320 nan 0.000 0.207 260 K C 1.984 178.616 176.600 0.053 0.000 1.049 260 K CA 3.711 60.044 56.287 0.078 0.000 0.933 260 K CB -0.178 32.374 32.500 0.087 0.000 0.714 260 K HN -0.384 7.954 8.250 0.147 0.000 0.438 261 D N -0.503 119.933 120.400 0.060 0.000 2.149 261 D HA -0.205 nan 4.640 nan 0.000 0.201 261 D C 2.307 178.627 176.300 0.033 0.000 0.972 261 D CA 3.228 57.273 54.000 0.075 0.000 0.835 261 D CB -0.379 40.531 40.800 0.183 0.000 0.966 261 D HN -0.270 8.141 8.370 0.068 0.000 0.476 262 F N 0.929 120.773 119.950 -0.176 0.000 2.134 262 F HA -0.362 nan 4.527 nan 0.000 0.299 262 F C 1.399 177.148 175.800 -0.085 0.000 1.097 262 F CA 3.461 61.358 58.000 -0.173 0.000 1.264 262 F CB 0.432 39.179 39.000 -0.422 0.000 1.001 262 F HN 0.208 8.475 8.300 -0.056 0.000 0.479 263 S N -0.765 114.940 115.700 0.008 0.000 2.353 263 S HA -0.459 nan 4.470 nan 0.000 0.222 263 S C 2.042 176.620 174.600 -0.037 0.000 1.035 263 S CA 4.260 62.456 58.200 -0.007 0.000 1.025 263 S CB -0.188 63.015 63.200 0.006 0.000 0.902 263 S HN -0.197 8.142 8.310 0.048 0.000 0.440 264 K N 0.547 120.927 120.400 -0.033 0.000 2.057 264 K HA -0.320 nan 4.320 nan 0.000 0.207 264 K C 2.257 178.824 176.600 -0.055 0.000 1.049 264 K CA 3.142 59.408 56.287 -0.035 0.000 0.931 264 K CB 0.021 32.515 32.500 -0.010 0.000 0.714 264 K HN -0.665 7.577 8.250 -0.014 0.000 0.440 265 A N -0.729 122.043 122.820 -0.080 0.000 1.968 265 A HA -0.139 nan 4.320 nan 0.000 0.217 265 A C 2.010 179.534 177.584 -0.101 0.000 1.169 265 A CA 2.842 54.828 52.037 -0.083 0.000 0.638 265 A CB -0.708 18.239 19.000 -0.088 0.000 0.812 265 A HN -0.107 7.993 8.150 -0.083 0.000 0.446 266 F N -0.211 119.489 119.950 -0.418 0.000 2.128 266 F HA -0.319 nan 4.527 nan 0.000 0.295 266 F C 1.326 177.039 175.800 -0.144 0.000 1.100 266 F CA 2.323 60.094 58.000 -0.381 0.000 1.260 266 F CB 0.382 38.987 39.000 -0.657 0.000 1.009 266 F HN 0.312 8.457 8.300 -0.258 0.000 0.476 267 E N -0.182 119.945 120.200 -0.121 0.000 2.058 267 E HA -0.549 nan 4.350 nan 0.000 0.194 267 E C 1.908 178.415 176.600 -0.155 0.000 0.997 267 E CA 3.481 59.795 56.400 -0.143 0.000 0.801 267 E CB -0.229 29.420 29.700 -0.085 0.000 0.746 267 E HN -0.472 7.870 8.360 -0.030 0.000 0.450 268 K N -0.896 119.435 120.400 -0.114 0.000 2.032 268 K HA -0.338 nan 4.320 nan 0.000 0.209 268 K C 2.374 178.906 176.600 -0.113 0.000 1.048 268 K CA 3.055 59.283 56.287 -0.098 0.000 0.927 268 K CB -0.075 32.393 32.500 -0.053 0.000 0.712 268 K HN -0.620 7.574 8.250 -0.094 0.000 0.441 269 L N -1.235 119.938 121.223 -0.084 0.000 2.013 269 L HA -0.308 nan 4.340 nan 0.000 0.212 269 L C 2.050 178.850 176.870 -0.116 0.000 1.073 269 L CA 3.006 57.824 54.840 -0.037 0.000 0.753 269 L CB -0.034 42.059 42.059 0.058 0.000 0.890 269 L HN -0.334 7.851 8.230 -0.074 0.000 0.432 270 L N -5.385 115.708 121.223 -0.216 0.000 2.376 270 L HA -0.187 nan 4.340 nan 0.000 0.219 270 L C 1.790 178.583 176.870 -0.128 0.000 1.133 270 L CA 2.159 56.890 54.840 -0.181 0.000 0.816 270 L CB -0.024 41.892 42.059 -0.237 0.000 0.933 270 L HN -0.291 7.759 8.230 -0.299 0.000 0.449 271 E N -3.412 116.702 120.200 -0.143 0.000 2.498 271 E HA 0.100 nan 4.350 nan 0.000 0.203 271 E C -0.368 176.100 176.600 -0.221 0.000 1.013 271 E CA -0.415 55.935 56.400 -0.084 0.000 0.927 271 E CB 1.033 30.732 29.700 -0.002 0.000 1.012 271 E HN -0.460 7.673 8.360 -0.161 0.130 0.482 272 D N 1.211 121.365 120.400 -0.409 0.000 2.533 272 D HA -0.213 nan 4.640 nan 0.000 0.236 272 D C 0.431 176.037 176.300 -1.156 0.000 1.137 272 D CA 2.285 55.745 54.000 -0.899 0.000 0.867 272 D CB -0.015 40.028 40.800 -1.261 0.000 1.170 272 D HN -0.613 7.564 8.370 -0.322 0.000 0.474 273 G N 1.115 109.292 108.800 -1.038 0.000 2.176 273 G HA2 -0.357 nan 3.960 nan 0.000 0.253 273 G HA3 -0.357 nan 3.960 nan 0.000 0.253 273 G C -1.074 173.718 174.900 -0.180 0.000 0.979 273 G CA 0.564 45.450 45.100 -0.357 0.000 0.641 273 G HN 0.303 8.018 8.290 -0.958 0.000 0.530 274 I N 0.682 121.079 120.570 -0.288 0.000 2.378 274 I HA 0.234 nan 4.170 nan 0.000 0.291 274 I C -0.941 174.895 176.117 -0.469 0.000 0.992 274 I CA -1.347 59.714 61.300 -0.400 0.000 1.154 274 I CB 0.876 38.598 38.000 -0.463 0.000 1.315 274 I HN -0.548 7.410 8.210 -0.319 0.061 0.448 275 T N 8.966 123.250 114.554 -0.450 0.000 2.749 275 T HA 0.269 nan 4.350 nan 0.000 0.295 275 T C -1.065 173.334 174.700 -0.501 0.000 0.936 275 T CA -0.045 61.848 62.100 -0.344 0.000 1.060 275 T CB 0.159 68.904 68.868 -0.205 0.000 0.904 275 T HN 0.486 8.480 8.240 -0.410 0.000 0.500 276 F N 7.698 127.602 119.950 -0.076 0.000 2.391 276 F HA 0.318 nan 4.527 nan 0.000 0.359 276 F C -1.866 173.896 175.800 -0.063 0.000 1.122 276 F CA -3.274 54.678 58.000 -0.080 0.000 1.120 276 F CB 0.230 39.159 39.000 -0.118 0.000 1.142 276 F HN 0.221 8.533 8.300 0.021 0.000 0.483 277 P HA 0.085 nan 4.420 nan 0.000 0.272 277 P C 0.359 177.687 177.300 0.046 0.000 1.223 277 P CA -0.917 62.208 63.100 0.041 0.000 0.784 277 P CB 0.886 32.603 31.700 0.028 0.000 0.923 278 K N 1.061 121.474 120.400 0.023 0.000 2.505 278 K HA -0.067 nan 4.320 nan 0.000 0.192 278 K C -0.564 176.038 176.600 0.004 0.000 1.025 278 K CA 1.623 57.916 56.287 0.009 0.000 1.086 278 K CB -0.207 32.292 32.500 -0.002 0.000 0.840 278 K HN 0.400 8.660 8.250 0.016 0.000 0.514 279 D N -2.880 117.529 120.400 0.014 0.000 2.347 279 D HA -0.117 nan 4.640 nan 0.000 0.215 279 D C -0.545 175.765 176.300 0.017 0.000 0.976 279 D CA -0.154 53.855 54.000 0.015 0.000 0.884 279 D CB -0.308 40.505 40.800 0.021 0.000 0.915 279 D HN -0.246 8.094 8.370 0.018 0.041 0.526 280 A N 1.640 124.473 122.820 0.022 0.000 2.520 280 A HA -0.042 nan 4.320 nan 0.000 0.235 280 A C -1.413 176.140 177.584 -0.052 0.000 1.065 280 A CA -1.518 50.526 52.037 0.012 0.000 0.764 280 A CB -0.326 18.710 19.000 0.060 0.000 1.002 280 A HN -0.503 7.504 8.150 0.032 0.162 0.502 281 P HA -0.079 nan 4.420 nan 0.000 0.265 281 P C -0.833 176.286 177.300 -0.301 0.000 1.187 281 P CA 0.011 63.026 63.100 -0.141 0.000 0.766 281 P CB 0.629 32.268 31.700 -0.102 0.000 0.820 282 S N 3.233 118.784 115.700 -0.248 0.000 2.569 282 S HA -0.010 nan 4.470 nan 0.000 0.274 282 S C -0.857 173.461 174.600 -0.469 0.000 1.353 282 S CA -0.644 57.380 58.200 -0.294 0.000 1.023 282 S CB -0.353 62.732 63.200 -0.191 0.000 0.876 282 S HN 0.041 8.261 8.310 -0.151 0.000 0.540 283 P HA -0.017 nan 4.420 nan 0.000 0.264 283 P C -1.286 175.799 177.300 -0.358 0.000 1.183 283 P CA 0.029 62.825 63.100 -0.508 0.000 0.763 283 P CB 0.346 31.824 31.700 -0.370 0.000 0.807 284 F N 3.416 123.224 119.950 -0.237 0.000 2.412 284 F HA 0.045 nan 4.527 nan 0.000 0.348 284 F C -0.099 175.414 175.800 -0.479 0.000 1.102 284 F CA -0.889 56.893 58.000 -0.363 0.000 1.196 284 F CB 0.800 39.547 39.000 -0.422 0.000 1.144 284 F HN 0.493 8.489 8.300 -0.507 0.000 0.541 285 I N 3.434 123.855 120.570 -0.248 0.000 2.330 285 I HA 0.135 nan 4.170 nan 0.000 0.286 285 I C -1.032 174.957 176.117 -0.213 0.000 1.025 285 I CA -1.241 59.934 61.300 -0.208 0.000 1.197 285 I CB -0.148 37.779 38.000 -0.121 0.000 1.358 285 I HN 0.439 8.513 8.210 -0.227 0.000 0.467 286 F N 6.599 126.579 119.950 0.049 0.000 2.412 286 F HA 0.070 nan 4.527 nan 0.000 0.348 286 F C -0.240 175.390 175.800 -0.284 0.000 1.102 286 F CA -0.932 56.970 58.000 -0.164 0.000 1.196 286 F CB 0.418 39.063 39.000 -0.591 0.000 1.144 286 F HN 0.424 8.635 8.300 -0.148 0.000 0.541 287 K N 4.048 124.430 120.400 -0.030 0.000 2.326 287 K HA 0.058 nan 4.320 nan 0.000 0.275 287 K C 0.138 176.627 176.600 -0.186 0.000 1.018 287 K CA 0.516 56.763 56.287 -0.068 0.000 0.962 287 K CB 0.268 32.770 32.500 0.003 0.000 0.953 287 K HN 0.027 8.347 8.250 0.117 0.000 0.475 288 T N -2.273 112.272 114.554 -0.014 0.000 2.813 288 T HA 0.122 nan 4.350 nan 0.000 0.297 288 T C 1.515 176.293 174.700 0.130 0.000 1.036 288 T CA -0.808 61.372 62.100 0.134 0.000 1.044 288 T CB 1.261 70.211 68.868 0.137 0.000 0.993 288 T HN -0.012 8.554 8.240 0.012 -0.319 0.535 289 L N 0.830 122.160 121.223 0.179 0.000 2.051 289 L HA -0.458 nan 4.340 nan 0.000 0.214 289 L C 2.056 178.970 176.870 0.075 0.000 1.076 289 L CA 3.837 58.744 54.840 0.111 0.000 0.758 289 L CB -0.556 41.562 42.059 0.098 0.000 0.890 289 L HN -0.113 8.485 8.230 0.259 -0.212 0.433 290 E N -1.008 119.237 120.200 0.075 0.000 2.077 290 E HA -0.367 nan 4.350 nan 0.000 0.193 290 E C 2.780 179.410 176.600 0.050 0.000 0.989 290 E CA 3.004 59.439 56.400 0.058 0.000 0.800 290 E CB -0.535 29.201 29.700 0.060 0.000 0.746 290 E HN 0.156 8.557 8.360 0.089 0.013 0.452 291 E N -2.158 118.072 120.200 0.051 0.000 2.268 291 E HA -0.214 nan 4.350 nan 0.000 0.195 291 E C 1.512 178.134 176.600 0.035 0.000 0.995 291 E CA 1.985 58.408 56.400 0.040 0.000 0.836 291 E CB -0.132 29.589 29.700 0.035 0.000 0.763 291 E HN -0.529 7.867 8.360 0.060 0.000 0.491 292 Q N -3.419 116.404 119.800 0.038 0.000 2.384 292 Q HA 0.017 nan 4.340 nan 0.000 0.207 292 Q C 0.680 176.699 176.000 0.032 0.000 0.904 292 Q CA -0.218 55.605 55.803 0.034 0.000 0.933 292 Q CB 0.949 29.707 28.738 0.033 0.000 1.077 292 Q HN -0.514 7.636 8.270 0.045 0.147 0.522 293 G N -1.310 107.511 108.800 0.034 0.000 2.160 293 G HA2 -0.379 nan 3.960 nan 0.000 0.244 293 G HA3 -0.379 nan 3.960 nan 0.000 0.244 293 G C -0.807 174.112 174.900 0.032 0.000 1.022 293 G CA 0.409 45.527 45.100 0.031 0.000 0.741 293 G HN -0.479 7.662 8.290 0.038 0.172 0.508 294 L N 0.000 121.245 121.223 0.037 0.000 2.949 294 L HA 0.000 nan 4.340 nan 0.000 0.249 294 L CA 0.000 54.862 54.840 0.037 0.000 0.813 294 L CB 0.000 42.083 42.059 0.040 0.000 0.961 294 L HN 0.000 8.154 8.230 0.043 0.102 0.502