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 2w0w_1_A DATA FIRST_RESID 4 DATA SEQUENCE KALSAVILAA GKGTRMYSDL PKVLHTIAGK PMVKHVIDTA HQLGSENIHL DATA SEQUENCE IYGHGGDLMR THLANEQVNW VLQTEQLGTA HAVQQAAPFF KDNENIVVLY DATA SEQUENCE GDAPLITKET LEKLIEAKPE NGIALLTVNL DNPTGYGRII RENGNVVAIV DATA SEQUENCE EQKDANAEQL NIKEVNTGVM VSDGASFKKW LARVGNNNAQ GEYYLTDLIA DATA SEQUENCE LANQDNCQVV AVQATDVMEV EGANNRLQLA ALERYFQNKQ ASKLLLEGVM DATA SEQUENCE IYDPARFDLR GTLEHGKDVE IDVNVIIEGN VKLGDRVKIG TGCVLKNVVI DATA SEQUENCE GNDVEIKPYS VLEDSIVGEK AAIGPFSRLR PGAELAAETH VGNFVEIKKS DATA SEQUENCE TVGKGSKVNH LTYVGDSEIG SNCNIGAGVI TCNYDGANKF KTIIGDDVFV DATA SEQUENCE GSDTQLVAPV KVANGATIGA GTTITRDVGE NELVITRVAQ RHIQGWQRPI DATA SEQUENCE K 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 K HA 0.000 nan 4.320 nan 0.000 0.191 4 K C 0.000 176.602 176.600 0.004 0.000 0.988 4 K CA 0.000 56.291 56.287 0.006 0.000 0.838 4 K CB 0.000 32.505 32.500 0.008 0.000 1.064 5 A N 0.763 123.587 122.820 0.006 0.000 2.280 5 A HA 0.738 5.058 4.320 -0.000 0.000 0.268 5 A C -1.106 176.477 177.584 -0.002 0.000 1.111 5 A CA -0.118 51.921 52.037 0.003 0.000 0.814 5 A CB 0.423 19.429 19.000 0.010 0.000 1.093 5 A HN 0.479 nan 8.150 nan 0.000 0.498 6 L N -0.375 120.842 121.223 -0.009 0.000 2.455 6 L HA 0.704 5.044 4.340 -0.000 0.000 0.264 6 L C -0.420 176.431 176.870 -0.030 0.000 0.968 6 L CA 0.301 55.128 54.840 -0.022 0.000 0.827 6 L CB 2.280 44.327 42.059 -0.020 0.000 1.317 6 L HN 0.645 nan 8.230 nan 0.000 0.407 7 S N 1.945 117.611 115.700 -0.056 0.000 2.627 7 S HA 0.980 5.450 4.470 -0.000 0.000 0.283 7 S C -1.160 173.380 174.600 -0.100 0.000 1.127 7 S CA -0.253 57.908 58.200 -0.066 0.000 0.863 7 S CB 1.911 65.105 63.200 -0.010 0.000 1.121 7 S HN 0.927 nan 8.310 nan 0.000 0.479 8 A N 1.070 123.833 122.820 -0.095 0.000 2.380 8 A HA 0.865 5.185 4.320 -0.000 0.000 0.315 8 A C -1.335 176.223 177.584 -0.043 0.000 1.101 8 A CA -0.637 51.344 52.037 -0.094 0.000 0.771 8 A CB 1.189 20.137 19.000 -0.087 0.000 1.287 8 A HN 0.595 nan 8.150 nan 0.000 0.436 9 V N 2.377 122.251 119.914 -0.066 0.000 2.444 9 V HA 0.408 4.528 4.120 -0.000 0.000 0.294 9 V C -0.664 175.364 176.094 -0.110 0.000 1.022 9 V CA -0.080 62.208 62.300 -0.020 0.000 0.850 9 V CB 1.190 33.016 31.823 0.004 0.000 0.992 9 V HN 0.691 nan 8.190 nan 0.000 0.426 10 I N 5.708 126.222 120.570 -0.094 0.000 2.355 10 I HA 0.374 4.545 4.170 -0.000 0.000 0.288 10 I C -0.716 175.356 176.117 -0.075 0.000 0.999 10 I CA -0.655 60.571 61.300 -0.124 0.000 1.163 10 I CB 1.664 39.601 38.000 -0.104 0.000 1.316 10 I HN 0.361 nan 8.210 nan 0.000 0.454 11 L N 6.246 127.413 121.223 -0.094 0.000 2.319 11 L HA 0.400 4.740 4.340 -0.000 0.000 0.280 11 L C 0.818 177.747 176.870 0.098 0.000 1.099 11 L CA 0.676 55.539 54.840 0.039 0.000 0.828 11 L CB 1.179 43.310 42.059 0.121 0.000 1.150 11 L HN 0.796 nan 8.230 nan 0.000 0.442 12 A N 2.717 125.606 122.820 0.115 0.000 2.622 12 A HA 0.594 4.914 4.320 -0.000 0.000 0.283 12 A C 1.259 178.946 177.584 0.172 0.000 0.998 12 A CA 0.438 52.551 52.037 0.126 0.000 0.985 12 A CB 0.088 19.137 19.000 0.083 0.000 1.236 12 A HN 0.665 nan 8.150 nan 0.000 0.559 13 A N 0.005 122.931 122.820 0.176 0.000 2.132 13 A HA 0.490 4.810 4.320 -0.000 0.000 0.213 13 A C 1.478 179.194 177.584 0.219 0.000 1.154 13 A CA 0.786 52.939 52.037 0.193 0.000 0.753 13 A CB -0.564 18.527 19.000 0.151 0.000 0.826 13 A HN 1.011 nan 8.150 nan 0.000 0.469 14 G N -0.478 108.419 108.800 0.161 0.000 2.559 14 G HA2 0.182 4.142 3.960 -0.000 0.000 0.235 14 G HA3 0.182 4.142 3.960 -0.000 0.000 0.235 14 G C 0.685 175.596 174.900 0.018 0.000 1.266 14 G CA 0.263 45.420 45.100 0.094 0.000 0.847 14 G HN 0.418 nan 8.290 nan 0.000 0.583 15 K N 0.748 121.050 120.400 -0.164 0.000 2.044 15 K HA 0.112 4.432 4.320 -0.000 0.000 0.204 15 K C 1.696 178.212 176.600 -0.141 0.000 1.049 15 K CA 0.941 57.043 56.287 -0.309 0.000 0.945 15 K CB -0.286 31.886 32.500 -0.546 0.000 0.724 15 K HN 1.140 nan 8.250 nan 0.000 0.440 16 G N 1.183 109.908 108.800 -0.125 0.000 2.298 16 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.287 16 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.287 16 G C 0.445 175.232 174.900 -0.189 0.000 1.075 16 G CA 0.573 45.598 45.100 -0.125 0.000 0.960 16 G HN 0.367 nan 8.290 nan 0.000 0.502 17 T N 0.307 114.729 114.554 -0.220 0.000 2.699 17 T HA -0.159 4.191 4.350 -0.000 0.000 0.268 17 T C 2.474 176.836 174.700 -0.564 0.000 1.036 17 T CA 1.531 63.450 62.100 -0.301 0.000 1.147 17 T CB -0.138 68.591 68.868 -0.231 0.000 0.862 17 T HN 0.406 nan 8.240 nan 0.000 0.446 18 R N 0.672 120.887 120.500 -0.474 0.000 2.328 18 R HA 0.173 4.513 4.340 -0.000 0.000 0.207 18 R C 1.980 177.992 176.300 -0.481 0.000 1.056 18 R CA 0.404 56.163 56.100 -0.570 0.000 1.016 18 R CB -0.431 29.732 30.300 -0.229 0.000 0.872 18 R HN 0.450 nan 8.270 nan 0.000 0.471 19 M N -1.028 118.343 119.600 -0.382 0.000 2.419 19 M HA -0.023 4.457 4.480 -0.000 0.000 0.264 19 M C -0.143 176.134 176.300 -0.039 0.000 1.082 19 M CA 0.379 55.547 55.300 -0.220 0.000 1.119 19 M CB -0.359 32.053 32.600 -0.312 0.000 1.398 19 M HN 0.070 nan 8.290 nan 0.000 0.453 20 Y N 0.188 120.476 120.300 -0.019 0.000 3.027 20 Y HA -0.210 4.340 4.550 0.000 0.000 0.195 20 Y C 0.452 176.377 175.900 0.041 0.000 1.381 20 Y CA 0.238 58.343 58.100 0.009 0.000 1.015 20 Y CB -2.073 36.390 38.460 0.005 0.000 1.329 20 Y HN 0.193 nan 8.280 nan 0.000 0.462 21 S N -0.592 115.184 115.700 0.126 0.000 2.549 21 S HA 0.456 4.926 4.470 -0.000 0.000 0.280 21 S C 0.468 175.132 174.600 0.107 0.000 1.109 21 S CA -0.852 57.443 58.200 0.159 0.000 0.905 21 S CB 1.350 64.728 63.200 0.297 0.000 1.081 21 S HN 0.248 nan 8.310 nan 0.000 0.477 22 D N 1.986 122.436 120.400 0.084 0.000 2.355 22 D HA 0.176 4.816 4.640 -0.000 0.000 0.218 22 D C 0.291 176.609 176.300 0.030 0.000 1.004 22 D CA 0.524 54.557 54.000 0.054 0.000 0.880 22 D CB 0.096 40.922 40.800 0.043 0.000 0.911 22 D HN 0.393 nan 8.370 nan 0.000 0.528 23 L N 2.177 123.410 121.223 0.017 0.000 2.350 23 L HA 0.254 4.594 4.340 -0.000 0.000 0.275 23 L C -2.065 174.840 176.870 0.057 0.000 1.099 23 L CA -1.680 53.124 54.840 -0.059 0.000 0.808 23 L CB 1.384 43.266 42.059 -0.294 0.000 1.149 23 L HN -0.199 nan 8.230 nan 0.000 0.442 24 P HA 0.064 nan 4.420 nan 0.000 0.275 24 P C 0.090 177.496 177.300 0.176 0.000 1.227 24 P CA -0.412 62.747 63.100 0.098 0.000 0.781 24 P CB 1.072 32.830 31.700 0.097 0.000 0.906 25 K N 1.713 122.208 120.400 0.158 0.000 2.056 25 K HA -0.256 4.064 4.320 -0.000 0.000 0.225 25 K C 1.569 178.290 176.600 0.202 0.000 1.053 25 K CA 3.121 59.494 56.287 0.143 0.000 0.966 25 K CB -0.783 31.742 32.500 0.041 0.000 0.735 25 K HN 0.395 nan 8.250 nan 0.000 0.455 26 V N -0.950 119.044 119.914 0.134 0.000 3.141 26 V HA -0.074 4.046 4.120 -0.000 0.000 0.265 26 V C 1.768 177.921 176.094 0.098 0.000 1.126 26 V CA 1.304 63.670 62.300 0.110 0.000 1.141 26 V CB -0.372 31.506 31.823 0.091 0.000 0.743 26 V HN 0.266 nan 8.190 nan 0.000 0.492 27 L N -0.593 120.675 121.223 0.075 0.000 2.509 27 L HA 0.225 4.565 4.340 -0.000 0.000 0.222 27 L C 0.905 177.749 176.870 -0.043 0.000 1.123 27 L CA 0.030 54.861 54.840 -0.015 0.000 0.856 27 L CB -0.529 41.439 42.059 -0.151 0.000 0.985 27 L HN 0.411 nan 8.230 nan 0.000 0.456 28 H N 0.434 119.508 119.070 0.008 0.000 2.897 28 H HA 0.051 4.607 4.556 -0.000 0.000 0.347 28 H C 0.701 176.044 175.328 0.026 0.000 1.068 28 H CA 0.324 56.381 56.048 0.016 0.000 1.426 28 H CB 0.499 30.267 29.762 0.010 0.000 1.410 28 H HN 0.043 nan 8.280 nan 0.000 0.597 29 T N 1.219 115.846 114.554 0.120 0.000 2.928 29 T HA 0.515 4.865 4.350 -0.000 0.000 0.284 29 T C -0.043 174.693 174.700 0.060 0.000 1.008 29 T CA -0.954 61.197 62.100 0.086 0.000 1.057 29 T CB 0.983 69.891 68.868 0.065 0.000 1.018 29 T HN 0.266 nan 8.240 nan 0.000 0.493 30 I N 1.662 122.257 120.570 0.040 0.000 2.436 30 I HA 0.498 4.668 4.170 -0.000 0.000 0.289 30 I C 0.940 177.053 176.117 -0.007 0.000 1.010 30 I CA -0.713 60.533 61.300 -0.090 0.000 1.098 30 I CB 0.636 38.367 38.000 -0.448 0.000 1.266 30 I HN 1.172 nan 8.210 nan 0.000 0.434 31 A N 4.905 127.743 122.820 0.029 0.000 2.745 31 A HA -0.088 4.232 4.320 -0.000 0.000 0.296 31 A C 1.409 179.049 177.584 0.095 0.000 1.500 31 A CA 1.409 53.517 52.037 0.120 0.000 0.766 31 A CB -1.873 17.297 19.000 0.282 0.000 1.030 31 A HN 2.086 nan 8.150 nan 0.000 0.489 32 G N -1.701 107.139 108.800 0.067 0.000 2.179 32 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.260 32 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.260 32 G C -0.023 174.898 174.900 0.035 0.000 0.977 32 G CA 1.409 46.537 45.100 0.047 0.000 0.641 32 G HN 2.290 nan 8.290 nan 0.000 0.533 33 K N -0.406 120.019 120.400 0.043 0.000 2.426 33 K HA 0.724 5.044 4.320 -0.000 0.000 0.251 33 K C -3.299 173.335 176.600 0.057 0.000 0.941 33 K CA -2.507 53.779 56.287 -0.002 0.000 0.808 33 K CB 2.880 35.301 32.500 -0.132 0.000 1.265 33 K HN -0.047 nan 8.250 nan 0.000 0.432 34 P HA -0.017 nan 4.420 nan 0.000 0.266 34 P C 0.730 178.119 177.300 0.148 0.000 1.195 34 P CA 0.003 63.153 63.100 0.083 0.000 0.768 34 P CB 0.422 32.161 31.700 0.065 0.000 0.838 35 M N 2.260 121.947 119.600 0.145 0.000 2.089 35 M HA -0.206 4.274 4.480 -0.000 0.000 0.257 35 M C 1.919 178.303 176.300 0.139 0.000 1.071 35 M CA 1.994 57.377 55.300 0.137 0.000 1.096 35 M CB -0.844 31.799 32.600 0.070 0.000 1.330 35 M HN 0.192 nan 8.290 nan 0.000 0.403 36 V N 0.299 120.265 119.914 0.086 0.000 2.626 36 V HA -0.252 3.868 4.120 -0.000 0.000 0.252 36 V C 2.261 178.368 176.094 0.021 0.000 1.067 36 V CA 2.065 64.392 62.300 0.045 0.000 1.081 36 V CB -0.425 31.409 31.823 0.018 0.000 0.686 36 V HN 0.417 nan 8.190 nan 0.000 0.468 37 K N -0.374 120.033 120.400 0.012 0.000 2.097 37 K HA -0.173 4.147 4.320 -0.000 0.000 0.205 37 K C 2.032 178.586 176.600 -0.077 0.000 1.050 37 K CA 1.862 58.114 56.287 -0.058 0.000 0.938 37 K CB -0.580 31.861 32.500 -0.098 0.000 0.718 37 K HN 0.672 nan 8.250 nan 0.000 0.442 38 H N -0.318 118.734 119.070 -0.030 0.000 2.352 38 H HA -0.104 4.452 4.556 -0.000 0.000 0.299 38 H C 1.993 177.325 175.328 0.006 0.000 1.097 38 H CA 1.907 57.944 56.048 -0.018 0.000 1.311 38 H CB -0.059 29.665 29.762 -0.064 0.000 1.377 38 H HN 0.063 nan 8.280 nan 0.000 0.504 39 V N 1.010 120.996 119.914 0.121 0.000 2.379 39 V HA -0.187 3.933 4.120 -0.000 0.000 0.245 39 V C 2.674 178.781 176.094 0.021 0.000 1.044 39 V CA 1.224 63.562 62.300 0.064 0.000 1.036 39 V CB -0.488 31.361 31.823 0.042 0.000 0.664 39 V HN 0.231 nan 8.190 nan 0.000 0.453 40 I N 0.414 120.978 120.570 -0.010 0.000 2.163 40 I HA -0.255 3.915 4.170 -0.000 0.000 0.243 40 I C 2.325 178.445 176.117 0.005 0.000 1.085 40 I CA 1.740 63.015 61.300 -0.042 0.000 1.347 40 I CB -0.463 37.483 38.000 -0.089 0.000 1.044 40 I HN 0.307 nan 8.210 nan 0.000 0.408 41 D N 0.204 120.615 120.400 0.020 0.000 2.117 41 D HA -0.146 4.494 4.640 -0.000 0.000 0.197 41 D C 2.246 178.597 176.300 0.084 0.000 0.987 41 D CA 1.643 55.680 54.000 0.061 0.000 0.829 41 D CB -0.489 40.334 40.800 0.038 0.000 0.961 41 D HN 0.276 nan 8.370 nan 0.000 0.460 42 T N 0.814 115.413 114.554 0.075 0.000 2.746 42 T HA -0.128 4.222 4.350 -0.000 0.000 0.267 42 T C 2.027 176.752 174.700 0.042 0.000 1.039 42 T CA 1.559 63.699 62.100 0.066 0.000 1.142 42 T CB -0.325 68.591 68.868 0.079 0.000 0.866 42 T HN 0.202 nan 8.240 nan 0.000 0.444 43 A N 1.052 123.892 122.820 0.034 0.000 1.908 43 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 43 A C 2.067 179.676 177.584 0.042 0.000 1.181 43 A CA 2.292 54.338 52.037 0.015 0.000 0.627 43 A CB -0.893 18.097 19.000 -0.016 0.000 0.818 43 A HN 0.637 nan 8.150 nan 0.000 0.445 44 H N -0.659 118.387 119.070 -0.041 0.000 2.363 44 H HA -0.043 4.513 4.556 0.000 0.000 0.301 44 H C 2.113 177.427 175.328 -0.022 0.000 1.074 44 H CA 1.878 57.902 56.048 -0.040 0.000 1.354 44 H CB -0.072 29.665 29.762 -0.043 0.000 1.397 44 H HN 0.338 nan 8.280 nan 0.000 0.516 45 Q N -0.061 119.679 119.800 -0.100 0.000 2.170 45 Q HA -0.099 4.241 4.340 -0.000 0.000 0.203 45 Q C 2.412 178.350 176.000 -0.104 0.000 0.976 45 Q CA 0.762 56.483 55.803 -0.136 0.000 0.858 45 Q CB -0.565 28.152 28.738 -0.034 0.000 0.907 45 Q HN 0.399 nan 8.270 nan 0.000 0.433 46 L N -0.339 120.850 121.223 -0.057 0.000 2.131 46 L HA -0.068 4.272 4.340 -0.000 0.000 0.210 46 L C 1.168 178.003 176.870 -0.058 0.000 1.092 46 L CA 2.295 57.111 54.840 -0.040 0.000 0.759 46 L CB -0.370 41.679 42.059 -0.017 0.000 0.903 46 L HN 0.456 nan 8.230 nan 0.000 0.435 47 G N -2.232 106.516 108.800 -0.088 0.000 2.151 47 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.140 47 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.140 47 G C 0.341 175.218 174.900 -0.039 0.000 1.020 47 G CA 0.132 45.181 45.100 -0.085 0.000 0.688 47 G HN 0.305 nan 8.290 nan 0.000 0.500 48 S N 0.561 116.250 115.700 -0.018 0.000 2.546 48 S HA 0.219 4.689 4.470 -0.000 0.000 0.290 48 S C 1.389 175.996 174.600 0.012 0.000 1.290 48 S CA 0.496 58.690 58.200 -0.010 0.000 1.069 48 S CB 1.250 64.436 63.200 -0.023 0.000 0.846 48 S HN 0.491 nan 8.310 nan 0.000 0.495 49 E N 2.790 122.985 120.200 -0.008 0.000 2.051 49 E HA -0.054 4.296 4.350 -0.000 0.000 0.189 49 E C 0.006 176.578 176.600 -0.046 0.000 0.979 49 E CA 0.777 57.175 56.400 -0.004 0.000 0.803 49 E CB 0.077 29.781 29.700 0.007 0.000 0.761 49 E HN 0.627 nan 8.360 nan 0.000 0.451 50 N N 0.141 118.783 118.700 -0.097 0.000 2.370 50 N HA 0.426 5.166 4.740 -0.000 0.000 0.303 50 N C -1.055 174.237 175.510 -0.363 0.000 1.103 50 N CA -0.398 52.498 53.050 -0.257 0.000 0.848 50 N CB 2.190 40.492 38.487 -0.310 0.000 1.235 50 N HN -0.092 nan 8.380 nan 0.000 0.496 51 I N 1.993 122.289 120.570 -0.456 0.000 2.411 51 I HA 0.184 4.354 4.170 -0.000 0.000 0.284 51 I C -0.721 175.090 176.117 -0.510 0.000 1.012 51 I CA -0.683 60.380 61.300 -0.396 0.000 1.119 51 I CB 0.934 38.783 38.000 -0.252 0.000 1.261 51 I HN 0.437 nan 8.210 nan 0.000 0.448 52 H N 6.811 125.802 119.070 -0.131 0.000 2.787 52 H HA 0.242 4.798 4.556 -0.000 0.000 0.275 52 H C -0.540 174.697 175.328 -0.153 0.000 1.183 52 H CA -0.776 55.189 56.048 -0.138 0.000 1.290 52 H CB 1.544 31.288 29.762 -0.030 0.000 1.438 52 H HN 0.338 nan 8.280 nan 0.000 0.487 53 L N 5.467 126.585 121.223 -0.175 0.000 2.342 53 L HA 0.136 4.476 4.340 -0.000 0.000 0.285 53 L C -0.299 176.564 176.870 -0.012 0.000 1.095 53 L CA -0.302 54.409 54.840 -0.215 0.000 0.843 53 L CB -0.003 41.710 42.059 -0.578 0.000 1.201 53 L HN 0.409 nan 8.230 nan 0.000 0.445 54 I N 7.166 127.773 120.570 0.061 0.000 2.337 54 I HA 0.177 4.347 4.170 -0.000 0.000 0.291 54 I C -0.055 176.205 176.117 0.238 0.000 1.046 54 I CA -0.176 61.212 61.300 0.146 0.000 1.324 54 I CB -0.429 37.624 38.000 0.090 0.000 1.409 54 I HN 0.631 nan 8.210 nan 0.000 0.494 55 Y N 4.009 124.357 120.300 0.080 0.000 2.605 55 Y HA 0.915 5.465 4.550 -0.000 0.000 0.343 55 Y C 0.289 176.256 175.900 0.111 0.000 1.036 55 Y CA -0.670 57.499 58.100 0.116 0.000 1.065 55 Y CB 1.972 40.545 38.460 0.188 0.000 1.288 55 Y HN 0.545 nan 8.280 nan 0.000 0.481 56 G N -0.134 108.672 108.800 0.009 0.000 3.249 56 G HA2 0.078 4.038 3.960 -0.000 0.000 0.143 56 G HA3 0.078 4.038 3.960 -0.000 0.000 0.143 56 G C -0.789 174.082 174.900 -0.048 0.000 1.393 56 G CA -0.545 44.478 45.100 -0.130 0.000 1.216 56 G HN 0.697 nan 8.290 nan 0.000 0.728 57 H N 1.367 120.465 119.070 0.046 0.000 3.001 57 H HA 0.326 4.882 4.556 -0.000 0.000 0.334 57 H C 1.442 176.821 175.328 0.084 0.000 1.034 57 H CA 1.454 57.533 56.048 0.053 0.000 1.420 57 H CB 0.548 30.337 29.762 0.045 0.000 1.405 57 H HN 1.036 nan 8.280 nan 0.000 0.593 58 G N 2.930 111.834 108.800 0.174 0.000 2.338 58 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.296 58 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.296 58 G C 1.307 176.301 174.900 0.157 0.000 1.040 58 G CA 0.574 45.752 45.100 0.130 0.000 1.004 58 G HN 0.894 nan 8.290 nan 0.000 0.509 59 G N 0.093 108.992 108.800 0.166 0.000 2.421 59 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.216 59 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.216 59 G C 1.288 176.328 174.900 0.233 0.000 1.171 59 G CA 1.571 46.849 45.100 0.297 0.000 0.775 59 G HN 0.495 nan 8.290 nan 0.000 0.543 60 D N 0.496 120.969 120.400 0.121 0.000 2.123 60 D HA -0.083 4.557 4.640 -0.000 0.000 0.196 60 D C 2.573 178.913 176.300 0.067 0.000 0.992 60 D CA 0.518 54.556 54.000 0.065 0.000 0.833 60 D CB -0.337 40.489 40.800 0.043 0.000 0.954 60 D HN 0.311 nan 8.370 nan 0.000 0.455 61 L N -0.100 121.168 121.223 0.076 0.000 2.056 61 L HA -0.141 4.199 4.340 -0.000 0.000 0.207 61 L C 2.473 179.392 176.870 0.082 0.000 1.078 61 L CA 0.672 55.548 54.840 0.059 0.000 0.749 61 L CB -0.296 41.730 42.059 -0.055 0.000 0.901 61 L HN 0.057 nan 8.230 nan 0.000 0.433 62 M N -0.453 119.212 119.600 0.109 0.000 2.073 62 M HA -0.243 4.237 4.480 -0.000 0.000 0.258 62 M C 2.445 178.846 176.300 0.169 0.000 1.070 62 M CA 1.890 57.299 55.300 0.181 0.000 1.103 62 M CB -1.127 31.645 32.600 0.288 0.000 1.321 62 M HN 0.207 nan 8.290 nan 0.000 0.405 63 R N -0.328 120.139 120.500 -0.055 0.000 2.096 63 R HA -0.116 4.224 4.340 -0.000 0.000 0.235 63 R C 2.299 178.506 176.300 -0.155 0.000 1.127 63 R CA 1.990 57.864 56.100 -0.377 0.000 0.968 63 R CB -0.578 29.418 30.300 -0.508 0.000 0.861 63 R HN 0.609 nan 8.270 nan 0.000 0.440 64 T N -2.467 112.082 114.554 -0.008 0.000 2.896 64 T HA -0.097 4.253 4.350 -0.000 0.000 0.263 64 T C 1.511 176.235 174.700 0.041 0.000 1.050 64 T CA 1.110 63.220 62.100 0.018 0.000 1.140 64 T CB -0.280 68.619 68.868 0.051 0.000 0.877 64 T HN 0.265 nan 8.240 nan 0.000 0.457 65 H N 0.720 119.795 119.070 0.008 0.000 2.502 65 H HA 0.398 4.954 4.556 -0.000 0.000 0.283 65 H C 1.239 176.595 175.328 0.047 0.000 1.015 65 H CA 0.701 56.762 56.048 0.022 0.000 1.298 65 H CB -0.037 29.741 29.762 0.025 0.000 1.411 65 H HN 0.329 nan 8.280 nan 0.000 0.556 66 L N -0.714 120.635 121.223 0.211 0.000 3.168 66 L HA 0.395 4.735 4.340 -0.000 0.000 0.277 66 L C 1.798 178.818 176.870 0.250 0.000 1.245 66 L CA 0.007 54.980 54.840 0.221 0.000 1.035 66 L CB 0.407 42.638 42.059 0.286 0.000 1.399 66 L HN 0.157 nan 8.230 nan 0.000 0.580 67 A N 0.801 123.686 122.820 0.109 0.000 1.903 67 A HA -0.237 4.083 4.320 -0.000 0.000 0.219 67 A C 1.874 179.503 177.584 0.075 0.000 1.191 67 A CA 1.947 54.006 52.037 0.037 0.000 0.638 67 A CB -0.409 18.568 19.000 -0.037 0.000 0.823 67 A HN 0.541 nan 8.150 nan 0.000 0.451 68 N N 0.334 119.064 118.700 0.050 0.000 2.461 68 N HA -0.022 4.718 4.740 -0.000 0.000 0.188 68 N C -0.498 175.027 175.510 0.025 0.000 1.134 68 N CA 0.242 53.308 53.050 0.026 0.000 0.878 68 N CB 0.068 38.553 38.487 -0.003 0.000 0.972 68 N HN 0.424 nan 8.380 nan 0.000 0.456 69 E N 1.263 121.502 120.200 0.064 0.000 2.290 69 E HA 0.051 4.401 4.350 -0.000 0.000 0.277 69 E C 0.181 176.760 176.600 -0.035 0.000 1.035 69 E CA 0.118 56.512 56.400 -0.010 0.000 0.873 69 E CB 0.595 30.268 29.700 -0.044 0.000 1.029 69 E HN 0.190 nan 8.360 nan 0.000 0.419 70 Q N 1.912 121.644 119.800 -0.113 0.000 2.815 70 Q HA 0.173 4.513 4.340 -0.000 0.000 0.235 70 Q C 0.057 175.945 176.000 -0.187 0.000 1.354 70 Q CA -0.176 55.546 55.803 -0.134 0.000 0.953 70 Q CB -0.243 28.380 28.738 -0.193 0.000 1.613 70 Q HN 0.290 nan 8.270 nan 0.000 0.572 71 V N -1.528 118.267 119.914 -0.199 0.000 3.130 71 V HA 0.476 4.596 4.120 -0.000 0.000 0.310 71 V C -0.737 175.172 176.094 -0.308 0.000 1.158 71 V CA -1.341 60.751 62.300 -0.348 0.000 1.029 71 V CB 2.339 33.808 31.823 -0.590 0.000 1.057 71 V HN 0.504 nan 8.190 nan 0.000 0.436 72 N N 1.436 119.933 118.700 -0.338 0.000 2.439 72 N HA 0.308 5.048 4.740 -0.000 0.000 0.249 72 N C -1.426 173.969 175.510 -0.191 0.000 1.003 72 N CA -0.550 52.374 53.050 -0.210 0.000 0.942 72 N CB 0.747 39.092 38.487 -0.237 0.000 1.115 72 N HN 0.764 nan 8.380 nan 0.000 0.505 73 W N 3.873 125.128 121.300 -0.075 0.000 2.485 73 W HA 0.242 4.902 4.660 0.000 0.000 0.315 73 W C -0.237 176.375 176.519 0.154 0.000 1.304 73 W CA -0.506 56.838 57.345 -0.002 0.000 1.345 73 W CB 0.599 30.017 29.460 -0.070 0.000 1.368 73 W HN 0.103 nan 8.180 nan 0.000 0.497 74 V N 6.659 126.805 119.914 0.387 0.000 2.293 74 V HA 0.175 4.295 4.120 -0.000 0.000 0.275 74 V C -0.218 176.041 176.094 0.275 0.000 1.021 74 V CA -1.070 61.401 62.300 0.285 0.000 0.815 74 V CB 0.656 32.566 31.823 0.146 0.000 1.025 74 V HN 0.265 nan 8.190 nan 0.000 0.448 75 L N 4.461 125.760 121.223 0.126 0.000 2.367 75 L HA 0.357 4.697 4.340 -0.000 0.000 0.275 75 L C 0.318 177.100 176.870 -0.147 0.000 1.129 75 L CA 0.596 55.274 54.840 -0.271 0.000 0.839 75 L CB 1.103 43.010 42.059 -0.254 0.000 1.133 75 L HN 0.787 nan 8.230 nan 0.000 0.453 76 Q N 2.719 122.404 119.800 -0.192 0.000 2.430 76 Q HA 0.197 4.537 4.340 -0.000 0.000 0.245 76 Q C 0.571 176.512 176.000 -0.098 0.000 1.021 76 Q CA 0.103 55.860 55.803 -0.076 0.000 0.867 76 Q CB 0.927 29.653 28.738 -0.020 0.000 1.210 76 Q HN 0.937 nan 8.270 nan 0.000 0.487 77 T N 0.648 115.168 114.554 -0.058 0.000 2.668 77 T HA -0.086 4.264 4.350 -0.000 0.000 0.258 77 T C 0.381 175.053 174.700 -0.047 0.000 1.051 77 T CA 0.680 62.743 62.100 -0.061 0.000 1.155 77 T CB -0.139 68.709 68.868 -0.033 0.000 0.864 77 T HN 0.682 nan 8.240 nan 0.000 0.413 78 E N 2.008 122.201 120.200 -0.012 0.000 2.174 78 E HA 0.230 4.580 4.350 -0.000 0.000 0.282 78 E C -0.785 175.808 176.600 -0.012 0.000 0.992 78 E CA -0.798 55.588 56.400 -0.023 0.000 0.803 78 E CB 0.865 30.542 29.700 -0.038 0.000 1.090 78 E HN 0.323 nan 8.360 nan 0.000 0.396 79 Q N 3.523 123.317 119.800 -0.010 0.000 2.534 79 Q HA 0.172 4.512 4.340 -0.000 0.000 0.223 79 Q C 0.129 176.123 176.000 -0.010 0.000 1.239 79 Q CA 0.149 55.964 55.803 0.019 0.000 0.936 79 Q CB 0.266 29.035 28.738 0.052 0.000 1.457 79 Q HN 0.620 nan 8.270 nan 0.000 0.547 80 L N 0.734 121.944 121.223 -0.021 0.000 3.017 80 L HA 0.301 4.641 4.340 -0.000 0.000 0.255 80 L C 0.638 177.536 176.870 0.047 0.000 1.247 80 L CA -0.345 54.459 54.840 -0.059 0.000 1.038 80 L CB 0.299 42.171 42.059 -0.313 0.000 1.380 80 L HN 0.752 nan 8.230 nan 0.000 0.548 81 G N 0.030 108.850 108.800 0.033 0.000 2.730 81 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.686 81 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.686 81 G C 0.650 175.626 174.900 0.128 0.000 1.343 81 G CA -0.144 44.966 45.100 0.016 0.000 0.826 81 G HN 0.274 nan 8.290 nan 0.000 0.582 82 T N -1.777 112.862 114.554 0.142 0.000 2.821 82 T HA 0.205 4.555 4.350 -0.000 0.000 0.267 82 T C 2.678 177.493 174.700 0.192 0.000 1.046 82 T CA 2.409 64.623 62.100 0.190 0.000 1.139 82 T CB -0.311 68.703 68.868 0.244 0.000 0.871 82 T HN 2.088 nan 8.240 nan 0.000 0.454 83 A N 1.400 124.345 122.820 0.210 0.000 1.933 83 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 83 A C 2.381 180.039 177.584 0.123 0.000 1.175 83 A CA 1.654 53.813 52.037 0.204 0.000 0.628 83 A CB -1.143 18.005 19.000 0.247 0.000 0.814 83 A HN 0.753 nan 8.150 nan 0.000 0.444 84 H N -0.291 118.796 119.070 0.028 0.000 2.428 84 H HA 0.081 4.637 4.556 -0.000 0.000 0.296 84 H C 2.248 177.550 175.328 -0.044 0.000 1.062 84 H CA 1.293 57.286 56.048 -0.093 0.000 1.350 84 H CB -0.043 29.671 29.762 -0.081 0.000 1.403 84 H HN 0.425 nan 8.280 nan 0.000 0.533 85 A N 0.521 123.395 122.820 0.091 0.000 1.873 85 A HA -0.097 4.223 4.320 -0.000 0.000 0.215 85 A C 2.771 180.340 177.584 -0.025 0.000 1.186 85 A CA 1.541 53.606 52.037 0.047 0.000 0.616 85 A CB -0.908 18.154 19.000 0.104 0.000 0.823 85 A HN 0.274 nan 8.150 nan 0.000 0.442 86 V N 0.097 120.015 119.914 0.006 0.000 2.490 86 V HA -0.299 3.821 4.120 -0.000 0.000 0.250 86 V C 2.664 178.684 176.094 -0.124 0.000 1.061 86 V CA 2.197 64.490 62.300 -0.011 0.000 1.064 86 V CB -0.835 31.025 31.823 0.063 0.000 0.670 86 V HN 0.762 nan 8.190 nan 0.000 0.461 87 Q N -0.288 119.418 119.800 -0.158 0.000 2.181 87 Q HA -0.274 4.066 4.340 -0.000 0.000 0.205 87 Q C 2.288 178.086 176.000 -0.338 0.000 0.980 87 Q CA 1.730 57.374 55.803 -0.265 0.000 0.862 87 Q CB -0.074 28.477 28.738 -0.312 0.000 0.905 87 Q HN 0.708 nan 8.270 nan 0.000 0.429 88 Q N -0.859 118.763 119.800 -0.297 0.000 2.167 88 Q HA -0.110 4.230 4.340 -0.000 0.000 0.202 88 Q C 1.799 177.706 176.000 -0.155 0.000 0.970 88 Q CA 1.175 56.849 55.803 -0.215 0.000 0.855 88 Q CB -0.010 28.653 28.738 -0.126 0.000 0.911 88 Q HN 0.433 nan 8.270 nan 0.000 0.438 89 A N 0.575 123.270 122.820 -0.209 0.000 2.169 89 A HA 0.209 4.529 4.320 -0.000 0.000 0.212 89 A C 2.174 179.290 177.584 -0.781 0.000 1.153 89 A CA 0.815 52.693 52.037 -0.265 0.000 0.756 89 A CB -0.246 18.645 19.000 -0.182 0.000 0.813 89 A HN 0.333 nan 8.150 nan 0.000 0.471 90 A N 1.088 123.313 122.820 -0.993 0.000 1.933 90 A HA -0.029 4.291 4.320 -0.000 0.000 0.218 90 A C -0.005 177.018 177.584 -0.935 0.000 1.175 90 A CA 1.718 52.868 52.037 -1.479 0.000 0.628 90 A CB -1.509 17.052 19.000 -0.731 0.000 0.814 90 A HN 0.434 nan 8.150 nan 0.000 0.444 91 P HA -0.090 nan 4.420 nan 0.000 0.228 91 P C 0.531 177.466 177.300 -0.607 0.000 1.151 91 P CA 0.822 63.566 63.100 -0.595 0.000 0.770 91 P CB -0.152 31.137 31.700 -0.684 0.000 0.786 92 F N -2.446 117.303 119.950 -0.336 0.000 2.754 92 F HA 0.181 4.708 4.527 -0.000 0.000 0.297 92 F C 1.169 177.016 175.800 0.078 0.000 1.122 92 F CA -0.305 57.615 58.000 -0.134 0.000 1.400 92 F CB -0.746 38.153 39.000 -0.168 0.000 1.117 92 F HN -0.202 nan 8.300 nan 0.000 0.587 93 F N 1.989 121.945 119.950 0.010 0.000 2.578 93 F HA 0.093 4.620 4.527 0.000 0.000 0.376 93 F C 0.908 176.727 175.800 0.032 0.000 1.085 93 F CA -0.628 57.386 58.000 0.024 0.000 1.260 93 F CB 0.292 39.281 39.000 -0.019 0.000 1.095 93 F HN -0.266 nan 8.300 nan 0.000 0.573 94 K N 2.884 123.425 120.400 0.236 0.000 2.249 94 K HA 0.031 4.351 4.320 -0.000 0.000 0.280 94 K C 0.334 176.999 176.600 0.107 0.000 1.033 94 K CA -0.649 55.718 56.287 0.133 0.000 0.946 94 K CB 1.002 33.562 32.500 0.099 0.000 1.005 94 K HN 0.543 nan 8.250 nan 0.000 0.469 95 D N 1.336 121.779 120.400 0.072 0.000 2.123 95 D HA -0.157 4.483 4.640 -0.000 0.000 0.196 95 D C 0.726 177.046 176.300 0.032 0.000 0.992 95 D CA 1.479 55.507 54.000 0.047 0.000 0.833 95 D CB 0.137 40.948 40.800 0.018 0.000 0.954 95 D HN 0.428 nan 8.370 nan 0.000 0.455 96 N N 1.131 119.848 118.700 0.029 0.000 2.314 96 N HA -0.003 4.737 4.740 -0.000 0.000 0.200 96 N C 0.007 175.529 175.510 0.019 0.000 1.135 96 N CA 0.098 53.159 53.050 0.019 0.000 0.835 96 N CB 0.566 39.062 38.487 0.015 0.000 0.989 96 N HN 0.542 nan 8.380 nan 0.000 0.478 97 E N -0.225 119.989 120.200 0.024 0.000 2.207 97 E HA 0.297 4.647 4.350 -0.000 0.000 0.270 97 E C -0.688 175.912 176.600 0.001 0.000 0.927 97 E CA -0.816 55.590 56.400 0.011 0.000 0.799 97 E CB 1.137 30.845 29.700 0.013 0.000 1.172 97 E HN -0.172 nan 8.360 nan 0.000 0.404 98 N N 2.136 120.835 118.700 -0.002 0.000 2.525 98 N HA 0.192 4.932 4.740 -0.000 0.000 0.271 98 N C -0.599 174.880 175.510 -0.051 0.000 1.194 98 N CA 0.002 53.055 53.050 0.004 0.000 0.964 98 N CB 0.655 39.151 38.487 0.015 0.000 1.126 98 N HN 0.463 nan 8.380 nan 0.000 0.452 99 I N 1.961 122.506 120.570 -0.042 0.000 2.410 99 I HA 0.199 4.369 4.170 -0.000 0.000 0.286 99 I C -0.127 175.958 176.117 -0.054 0.000 1.009 99 I CA -0.728 60.436 61.300 -0.227 0.000 1.111 99 I CB 1.371 38.923 38.000 -0.746 0.000 1.262 99 I HN 0.048 nan 8.210 nan 0.000 0.443 100 V N 8.229 128.093 119.914 -0.083 0.000 2.407 100 V HA 0.445 4.565 4.120 -0.000 0.000 0.278 100 V C -0.236 175.811 176.094 -0.078 0.000 1.037 100 V CA -0.345 61.943 62.300 -0.020 0.000 0.900 100 V CB 1.967 33.785 31.823 -0.008 0.000 0.983 100 V HN 0.416 nan 8.190 nan 0.000 0.459 101 V N 8.528 128.422 119.914 -0.034 0.000 2.383 101 V HA 0.493 4.613 4.120 -0.000 0.000 0.275 101 V C 0.108 176.058 176.094 -0.240 0.000 1.036 101 V CA -0.195 62.023 62.300 -0.136 0.000 0.889 101 V CB 1.092 32.892 31.823 -0.038 0.000 0.985 101 V HN 0.745 nan 8.190 nan 0.000 0.459 102 L N 4.503 125.495 121.223 -0.385 0.000 2.257 102 L HA 0.677 5.017 4.340 -0.000 0.000 0.257 102 L C -1.485 174.984 176.870 -0.669 0.000 1.033 102 L CA -0.901 53.715 54.840 -0.373 0.000 0.835 102 L CB 2.334 44.318 42.059 -0.125 0.000 1.398 102 L HN 0.461 nan 8.230 nan 0.000 0.429 103 Y N -1.200 119.118 120.300 0.029 0.000 2.338 103 Y HA 0.346 4.896 4.550 -0.000 0.000 0.333 103 Y C 0.947 176.861 175.900 0.023 0.000 0.968 103 Y CA -0.813 57.306 58.100 0.031 0.000 1.123 103 Y CB 1.870 40.350 38.460 0.033 0.000 1.165 103 Y HN 0.640 nan 8.280 nan 0.000 0.452 104 G N 0.794 109.673 108.800 0.132 0.000 2.708 104 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.210 104 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.210 104 G C 0.635 175.592 174.900 0.095 0.000 1.141 104 G CA 0.932 46.083 45.100 0.086 0.000 0.788 104 G HN 0.747 nan 8.290 nan 0.000 0.531 105 D N -0.738 119.732 120.400 0.117 0.000 2.431 105 D HA 0.329 4.969 4.640 -0.000 0.000 0.213 105 D C 0.913 177.240 176.300 0.045 0.000 1.130 105 D CA 0.026 54.069 54.000 0.071 0.000 0.834 105 D CB 0.180 41.016 40.800 0.059 0.000 0.985 105 D HN 0.099 nan 8.370 nan 0.000 0.504 106 A N 2.097 124.961 122.820 0.074 0.000 2.938 106 A HA 0.447 4.767 4.320 -0.000 0.000 0.344 106 A C -1.772 175.828 177.584 0.028 0.000 1.142 106 A CA -1.049 51.010 52.037 0.038 0.000 0.841 106 A CB 1.011 20.050 19.000 0.065 0.000 1.083 106 A HN -0.029 nan 8.150 nan 0.000 0.479 107 P HA -0.049 nan 4.420 nan 0.000 0.229 107 P C 0.948 178.228 177.300 -0.033 0.000 1.160 107 P CA 0.643 63.717 63.100 -0.043 0.000 0.777 107 P CB 0.230 31.818 31.700 -0.187 0.000 0.814 108 L N -1.201 120.014 121.223 -0.013 0.000 2.567 108 L HA 0.155 4.495 4.340 -0.000 0.000 0.225 108 L C 1.319 178.245 176.870 0.093 0.000 1.119 108 L CA -0.660 54.221 54.840 0.069 0.000 0.871 108 L CB -0.515 41.569 42.059 0.041 0.000 1.036 108 L HN -0.102 nan 8.230 nan 0.000 0.459 109 I N 1.863 122.470 120.570 0.061 0.000 2.906 109 I HA -0.128 4.042 4.170 -0.000 0.000 0.301 109 I C 1.014 177.183 176.117 0.087 0.000 1.221 109 I CA 0.529 61.868 61.300 0.065 0.000 1.435 109 I CB 0.470 38.508 38.000 0.063 0.000 1.345 109 I HN 0.173 nan 8.210 nan 0.000 0.558 110 T N 3.560 118.164 114.554 0.082 0.000 2.934 110 T HA 0.306 4.656 4.350 -0.000 0.000 0.283 110 T C 0.989 175.726 174.700 0.062 0.000 1.005 110 T CA -0.620 61.532 62.100 0.086 0.000 1.041 110 T CB 1.433 70.355 68.868 0.090 0.000 1.042 110 T HN 0.731 nan 8.240 nan 0.000 0.505 111 K N 0.369 120.803 120.400 0.057 0.000 2.032 111 K HA -0.200 4.120 4.320 -0.000 0.000 0.209 111 K C 1.813 178.431 176.600 0.029 0.000 1.048 111 K CA 1.921 58.230 56.287 0.036 0.000 0.927 111 K CB -0.174 32.344 32.500 0.029 0.000 0.712 111 K HN 0.693 nan 8.250 nan 0.000 0.441 112 E N -0.219 120.000 120.200 0.033 0.000 2.077 112 E HA -0.117 4.233 4.350 -0.000 0.000 0.193 112 E C 1.981 178.597 176.600 0.026 0.000 0.989 112 E CA 1.786 58.201 56.400 0.026 0.000 0.800 112 E CB -0.454 29.262 29.700 0.027 0.000 0.746 112 E HN 0.276 nan 8.360 nan 0.000 0.452 113 T N 0.850 115.424 114.554 0.033 0.000 2.788 113 T HA -0.058 4.292 4.350 -0.000 0.000 0.268 113 T C 1.805 176.522 174.700 0.029 0.000 1.044 113 T CA 0.806 62.925 62.100 0.031 0.000 1.139 113 T CB -0.201 68.688 68.868 0.036 0.000 0.867 113 T HN 0.057 nan 8.240 nan 0.000 0.454 114 L N 0.487 121.729 121.223 0.031 0.000 2.141 114 L HA -0.026 4.314 4.340 -0.000 0.000 0.209 114 L C 2.661 179.544 176.870 0.021 0.000 1.094 114 L CA 1.191 56.048 54.840 0.028 0.000 0.763 114 L CB -0.448 41.627 42.059 0.027 0.000 0.908 114 L HN 0.313 nan 8.230 nan 0.000 0.437 115 E N 0.131 120.342 120.200 0.018 0.000 2.106 115 E HA -0.252 4.098 4.350 -0.000 0.000 0.192 115 E C 2.117 178.726 176.600 0.014 0.000 0.984 115 E CA 0.942 57.350 56.400 0.013 0.000 0.806 115 E CB 0.065 29.771 29.700 0.009 0.000 0.750 115 E HN 0.305 nan 8.360 nan 0.000 0.458 116 K N 0.764 121.174 120.400 0.016 0.000 2.097 116 K HA -0.164 4.156 4.320 -0.000 0.000 0.205 116 K C 2.181 178.792 176.600 0.018 0.000 1.050 116 K CA 0.686 56.982 56.287 0.016 0.000 0.938 116 K CB 0.005 32.515 32.500 0.016 0.000 0.718 116 K HN 0.032 nan 8.250 nan 0.000 0.442 117 L N 1.261 122.497 121.223 0.022 0.000 2.072 117 L HA -0.053 4.287 4.340 -0.000 0.000 0.205 117 L C 1.897 178.783 176.870 0.027 0.000 1.079 117 L CA 1.402 56.258 54.840 0.026 0.000 0.752 117 L CB -0.203 41.876 42.059 0.033 0.000 0.906 117 L HN 0.183 nan 8.230 nan 0.000 0.436 118 I N -0.407 120.178 120.570 0.025 0.000 2.179 118 I HA -0.282 3.888 4.170 -0.000 0.000 0.242 118 I C 2.523 178.653 176.117 0.021 0.000 1.088 118 I CA 1.678 62.992 61.300 0.025 0.000 1.357 118 I CB -0.410 37.601 38.000 0.018 0.000 1.051 118 I HN 0.388 nan 8.210 nan 0.000 0.409 119 E N 0.902 121.112 120.200 0.017 0.000 2.268 119 E HA -0.174 4.176 4.350 -0.000 0.000 0.195 119 E C 2.006 178.615 176.600 0.015 0.000 0.995 119 E CA 0.982 57.391 56.400 0.014 0.000 0.836 119 E CB 0.089 29.796 29.700 0.011 0.000 0.763 119 E HN 0.509 nan 8.360 nan 0.000 0.491 120 A N 0.900 123.730 122.820 0.017 0.000 2.218 120 A HA 0.013 4.333 4.320 -0.000 0.000 0.209 120 A C 1.086 178.681 177.584 0.019 0.000 1.168 120 A CA -0.135 51.912 52.037 0.016 0.000 0.804 120 A CB -0.015 18.994 19.000 0.015 0.000 0.834 120 A HN -0.043 nan 8.150 nan 0.000 0.482 121 K N 2.259 122.673 120.400 0.023 0.000 2.378 121 K HA 0.173 4.493 4.320 -0.000 0.000 0.288 121 K C -2.520 174.096 176.600 0.027 0.000 1.057 121 K CA -1.510 54.794 56.287 0.028 0.000 0.971 121 K CB 0.535 33.056 32.500 0.035 0.000 0.975 121 K HN 0.145 nan 8.250 nan 0.000 0.475 122 P HA 0.050 nan 4.420 nan 0.000 0.275 122 P C -0.712 176.611 177.300 0.038 0.000 1.228 122 P CA -0.251 62.867 63.100 0.030 0.000 0.786 122 P CB 0.658 32.377 31.700 0.030 0.000 0.927 123 E N 2.337 122.555 120.200 0.031 0.000 2.529 123 E HA -0.123 4.227 4.350 -0.000 0.000 0.259 123 E C 0.221 176.845 176.600 0.040 0.000 0.966 123 E CA 0.203 56.619 56.400 0.028 0.000 0.937 123 E CB -0.234 29.477 29.700 0.019 0.000 0.923 123 E HN 0.327 nan 8.360 nan 0.000 0.468 124 N N 1.522 120.241 118.700 0.033 0.000 2.815 124 N HA -0.181 4.559 4.740 -0.000 0.000 0.247 124 N C -0.069 175.540 175.510 0.166 0.000 1.030 124 N CA 1.241 54.315 53.050 0.041 0.000 0.881 124 N CB -1.341 37.163 38.487 0.028 0.000 1.134 124 N HN 0.588 nan 8.380 nan 0.000 0.582 125 G N -0.534 108.354 108.800 0.148 0.000 2.671 125 G HA2 0.799 4.759 3.960 -0.000 0.000 0.275 125 G HA3 0.799 4.759 3.960 -0.000 0.000 0.275 125 G C -0.201 174.794 174.900 0.159 0.000 1.368 125 G CA -0.551 44.656 45.100 0.178 0.000 1.044 125 G HN 0.129 nan 8.290 nan 0.000 0.543 126 I N 0.058 120.667 120.570 0.066 0.000 2.569 126 I HA 0.573 4.743 4.170 -0.000 0.000 0.296 126 I C -0.119 176.003 176.117 0.009 0.000 1.028 126 I CA -0.967 60.342 61.300 0.016 0.000 1.082 126 I CB 2.347 40.299 38.000 -0.079 0.000 1.264 126 I HN 0.535 nan 8.210 nan 0.000 0.429 127 A N 6.978 129.811 122.820 0.022 0.000 2.318 127 A HA 0.837 5.157 4.320 -0.000 0.000 0.317 127 A C -0.890 176.714 177.584 0.033 0.000 1.159 127 A CA -0.494 51.557 52.037 0.024 0.000 0.799 127 A CB 1.140 20.158 19.000 0.031 0.000 1.194 127 A HN 0.711 nan 8.150 nan 0.000 0.479 128 L N 0.927 122.165 121.223 0.025 0.000 2.354 128 L HA 0.812 5.152 4.340 -0.000 0.000 0.269 128 L C -1.145 175.745 176.870 0.033 0.000 1.005 128 L CA -0.867 53.996 54.840 0.039 0.000 0.819 128 L CB 1.578 43.656 42.059 0.031 0.000 1.311 128 L HN 0.557 nan 8.230 nan 0.000 0.423 129 L N 2.814 124.064 121.223 0.045 0.000 2.305 129 L HA 0.536 4.876 4.340 -0.000 0.000 0.281 129 L C 0.230 177.108 176.870 0.013 0.000 1.085 129 L CA -0.021 54.837 54.840 0.029 0.000 0.813 129 L CB 1.599 43.681 42.059 0.038 0.000 1.157 129 L HN 0.992 nan 8.230 nan 0.000 0.436 130 T N 1.013 115.566 114.554 -0.001 0.000 2.907 130 T HA 0.732 5.082 4.350 -0.000 0.000 0.290 130 T C -0.800 173.884 174.700 -0.027 0.000 1.066 130 T CA -0.802 61.288 62.100 -0.016 0.000 1.012 130 T CB 2.287 71.148 68.868 -0.012 0.000 1.184 130 T HN 0.308 nan 8.240 nan 0.000 0.522 131 V N 0.949 120.838 119.914 -0.042 0.000 2.969 131 V HA 0.485 4.605 4.120 -0.000 0.000 0.304 131 V C -1.544 174.524 176.094 -0.043 0.000 1.192 131 V CA -1.030 61.242 62.300 -0.047 0.000 0.962 131 V CB 2.394 34.173 31.823 -0.072 0.000 1.045 131 V HN 1.015 nan 8.190 nan 0.000 0.428 132 N N 4.948 123.629 118.700 -0.030 0.000 2.472 132 N HA 0.598 5.338 4.740 -0.000 0.000 0.277 132 N C -1.056 174.441 175.510 -0.022 0.000 1.081 132 N CA -0.021 53.017 53.050 -0.020 0.000 0.973 132 N CB 1.499 39.980 38.487 -0.011 0.000 1.105 132 N HN 0.538 nan 8.380 nan 0.000 0.470 133 L N 1.519 122.735 121.223 -0.011 0.000 2.386 133 L HA 0.316 4.656 4.340 -0.000 0.000 0.271 133 L C 0.919 177.796 176.870 0.012 0.000 0.993 133 L CA -0.832 54.007 54.840 -0.001 0.000 0.819 133 L CB 1.963 44.027 42.059 0.009 0.000 1.294 133 L HN 0.296 nan 8.230 nan 0.000 0.414 134 D N 0.684 121.092 120.400 0.013 0.000 2.104 134 D HA -0.168 4.472 4.640 -0.000 0.000 0.194 134 D C 0.607 176.920 176.300 0.022 0.000 0.994 134 D CA 1.702 55.711 54.000 0.015 0.000 0.830 134 D CB 0.176 40.984 40.800 0.013 0.000 0.959 134 D HN 0.499 nan 8.370 nan 0.000 0.452 135 N N 0.208 118.928 118.700 0.033 0.000 2.706 135 N HA 0.125 4.865 4.740 -0.000 0.000 0.240 135 N C -2.276 173.281 175.510 0.079 0.000 1.039 135 N CA -1.325 51.750 53.050 0.042 0.000 0.888 135 N CB 1.722 40.230 38.487 0.036 0.000 1.128 135 N HN -0.145 nan 8.380 nan 0.000 0.512 136 P HA 0.060 nan 4.420 nan 0.000 0.255 136 P C -0.208 177.168 177.300 0.126 0.000 1.301 136 P CA 0.032 63.209 63.100 0.130 0.000 0.817 136 P CB -0.108 31.636 31.700 0.074 0.000 1.259 137 T N 0.722 115.302 114.554 0.045 0.000 2.871 137 T HA 0.308 4.658 4.350 -0.000 0.000 0.296 137 T C 1.528 176.094 174.700 -0.222 0.000 0.998 137 T CA 1.476 63.543 62.100 -0.055 0.000 1.162 137 T CB 0.016 68.852 68.868 -0.054 0.000 0.947 137 T HN 0.378 nan 8.240 nan 0.000 0.536 138 G N 2.660 111.313 108.800 -0.245 0.000 2.258 138 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.233 138 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.233 138 G C -0.052 174.593 174.900 -0.426 0.000 1.006 138 G CA -0.378 44.479 45.100 -0.405 0.000 0.620 138 G HN 0.697 nan 8.290 nan 0.000 0.511 139 Y N 0.845 121.121 120.300 -0.040 0.000 2.403 139 Y HA 0.551 5.101 4.550 0.000 0.000 0.323 139 Y C 1.312 177.185 175.900 -0.046 0.000 1.226 139 Y CA -0.410 57.663 58.100 -0.045 0.000 1.235 139 Y CB 1.146 39.580 38.460 -0.044 0.000 1.248 139 Y HN 0.267 nan 8.280 nan 0.000 0.489 140 G N 2.420 111.296 108.800 0.127 0.000 2.354 140 G HA2 0.236 4.196 3.960 -0.000 0.000 0.266 140 G HA3 0.236 4.196 3.960 -0.000 0.000 0.266 140 G C -0.308 174.614 174.900 0.036 0.000 1.242 140 G CA -0.757 44.367 45.100 0.041 0.000 0.923 140 G HN 0.326 nan 8.290 nan 0.000 0.476 141 R N 1.848 122.357 120.500 0.015 0.000 2.438 141 R HA 0.182 4.522 4.340 -0.000 0.000 0.287 141 R C 0.290 176.588 176.300 -0.003 0.000 1.077 141 R CA -0.915 55.190 56.100 0.009 0.000 1.034 141 R CB 0.983 31.284 30.300 0.001 0.000 0.993 141 R HN 0.297 nan 8.270 nan 0.000 0.459 142 I N 4.842 125.409 120.570 -0.004 0.000 2.352 142 I HA 0.152 4.322 4.170 -0.000 0.000 0.290 142 I C 0.494 176.603 176.117 -0.013 0.000 1.036 142 I CA -0.550 60.744 61.300 -0.010 0.000 1.336 142 I CB 0.382 38.376 38.000 -0.009 0.000 1.407 142 I HN 0.261 nan 8.210 nan 0.000 0.497 143 I N 7.355 127.914 120.570 -0.018 0.000 2.321 143 I HA 0.355 4.525 4.170 -0.000 0.000 0.291 143 I C 0.464 176.569 176.117 -0.020 0.000 0.998 143 I CA -0.463 60.826 61.300 -0.019 0.000 1.227 143 I CB 0.644 38.631 38.000 -0.022 0.000 1.368 143 I HN 0.419 nan 8.210 nan 0.000 0.466 144 R N 4.798 125.288 120.500 -0.016 0.000 2.437 144 R HA 0.465 4.805 4.340 -0.000 0.000 0.310 144 R C -0.539 175.752 176.300 -0.014 0.000 0.955 144 R CA -0.649 55.441 56.100 -0.016 0.000 0.851 144 R CB 2.139 32.432 30.300 -0.012 0.000 1.161 144 R HN 0.523 nan 8.270 nan 0.000 0.446 145 E N 2.097 122.288 120.200 -0.015 0.000 2.081 145 E HA 0.126 4.476 4.350 -0.000 0.000 0.276 145 E C -0.729 175.864 176.600 -0.011 0.000 0.950 145 E CA -0.452 55.941 56.400 -0.013 0.000 0.776 145 E CB 0.911 30.602 29.700 -0.015 0.000 1.094 145 E HN 0.535 nan 8.360 nan 0.000 0.402 146 N N 2.881 121.576 118.700 -0.009 0.000 2.705 146 N HA -0.302 4.438 4.740 -0.000 0.000 0.255 146 N C 0.697 176.203 175.510 -0.007 0.000 1.008 146 N CA 0.446 53.492 53.050 -0.007 0.000 0.742 146 N CB -0.786 37.698 38.487 -0.006 0.000 0.906 146 N HN 0.952 nan 8.380 nan 0.000 0.541 147 G N -1.712 107.083 108.800 -0.007 0.000 2.363 147 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.238 147 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.238 147 G C 0.062 174.957 174.900 -0.009 0.000 1.062 147 G CA 0.296 45.392 45.100 -0.007 0.000 0.629 147 G HN 0.479 nan 8.290 nan 0.000 0.514 148 N N 0.528 119.222 118.700 -0.011 0.000 2.498 148 N HA 0.525 5.265 4.740 -0.000 0.000 0.287 148 N C 0.180 175.678 175.510 -0.019 0.000 1.097 148 N CA -0.226 52.816 53.050 -0.014 0.000 0.973 148 N CB 1.834 40.313 38.487 -0.014 0.000 1.153 148 N HN 0.250 nan 8.380 nan 0.000 0.472 149 V N 2.053 121.952 119.914 -0.024 0.000 2.488 149 V HA 0.093 4.213 4.120 -0.000 0.000 0.277 149 V C 1.437 177.505 176.094 -0.043 0.000 1.046 149 V CA -0.204 62.078 62.300 -0.030 0.000 0.986 149 V CB 0.750 32.555 31.823 -0.031 0.000 0.989 149 V HN 0.632 nan 8.190 nan 0.000 0.475 150 V N 1.641 121.530 119.914 -0.042 0.000 3.219 150 V HA 0.791 4.911 4.120 -0.000 0.000 0.240 150 V C 0.605 176.664 176.094 -0.059 0.000 1.222 150 V CA 0.699 62.968 62.300 -0.051 0.000 1.181 150 V CB 0.138 31.938 31.823 -0.039 0.000 0.941 150 V HN 0.920 nan 8.190 nan 0.000 0.471 151 A N -0.315 122.476 122.820 -0.047 0.000 2.588 151 A HA 0.877 5.197 4.320 -0.000 0.000 0.290 151 A C -1.515 176.047 177.584 -0.037 0.000 1.136 151 A CA -0.654 51.356 52.037 -0.046 0.000 0.681 151 A CB 1.653 20.629 19.000 -0.041 0.000 1.282 151 A HN 0.278 nan 8.150 nan 0.000 0.421 152 I N 0.401 120.950 120.570 -0.035 0.000 2.498 152 I HA 0.516 4.686 4.170 -0.000 0.000 0.290 152 I C -1.143 174.951 176.117 -0.038 0.000 1.032 152 I CA -0.889 60.394 61.300 -0.028 0.000 1.073 152 I CB 2.182 40.171 38.000 -0.018 0.000 1.251 152 I HN 0.304 nan 8.210 nan 0.000 0.426 153 V N 5.728 125.620 119.914 -0.035 0.000 2.444 153 V HA 0.329 4.449 4.120 -0.000 0.000 0.294 153 V C -0.012 176.054 176.094 -0.047 0.000 1.022 153 V CA -0.820 61.452 62.300 -0.047 0.000 0.850 153 V CB 1.671 33.471 31.823 -0.038 0.000 0.992 153 V HN 0.603 nan 8.190 nan 0.000 0.426 154 E N 2.693 122.849 120.200 -0.074 0.000 2.392 154 E HA 0.092 4.442 4.350 -0.000 0.000 0.256 154 E C 0.808 177.369 176.600 -0.065 0.000 1.145 154 E CA -0.304 56.051 56.400 -0.075 0.000 0.929 154 E CB 1.117 30.744 29.700 -0.121 0.000 0.998 154 E HN 0.666 nan 8.360 nan 0.000 0.442 155 Q N 1.858 121.620 119.800 -0.064 0.000 2.062 155 Q HA -0.229 4.111 4.340 -0.000 0.000 0.209 155 Q C 1.376 177.341 176.000 -0.058 0.000 0.996 155 Q CA 2.101 57.867 55.803 -0.061 0.000 0.859 155 Q CB 0.020 28.710 28.738 -0.080 0.000 0.920 155 Q HN 0.365 nan 8.270 nan 0.000 0.415 156 K N -0.227 120.134 120.400 -0.065 0.000 2.515 156 K HA -0.102 4.218 4.320 -0.000 0.000 0.196 156 K C 0.231 176.800 176.600 -0.052 0.000 1.038 156 K CA 1.062 57.315 56.287 -0.057 0.000 0.967 156 K CB 0.214 32.679 32.500 -0.058 0.000 0.780 156 K HN 0.423 nan 8.250 nan 0.000 0.483 157 D N -0.394 119.972 120.400 -0.056 0.000 2.474 157 D HA 0.057 4.697 4.640 -0.000 0.000 0.213 157 D C 0.085 176.361 176.300 -0.040 0.000 1.120 157 D CA 0.001 53.971 54.000 -0.050 0.000 0.836 157 D CB 0.478 41.241 40.800 -0.062 0.000 1.019 157 D HN 0.009 nan 8.370 nan 0.000 0.507 158 A N 1.910 124.707 122.820 -0.039 0.000 2.409 158 A HA 0.348 4.668 4.320 -0.000 0.000 0.267 158 A C 0.554 178.122 177.584 -0.026 0.000 1.127 158 A CA -0.513 51.505 52.037 -0.031 0.000 0.795 158 A CB -0.064 18.919 19.000 -0.029 0.000 1.061 158 A HN 0.186 nan 8.150 nan 0.000 0.502 159 N N 2.277 120.964 118.700 -0.022 0.000 2.317 159 N HA 0.382 5.122 4.740 -0.000 0.000 0.245 159 N C 1.151 176.651 175.510 -0.016 0.000 1.294 159 N CA 0.137 53.176 53.050 -0.018 0.000 0.924 159 N CB 0.428 38.906 38.487 -0.016 0.000 1.186 159 N HN 0.540 nan 8.380 nan 0.000 0.495 160 A N -0.416 122.396 122.820 -0.014 0.000 1.940 160 A HA -0.314 4.006 4.320 -0.000 0.000 0.221 160 A C 2.025 179.603 177.584 -0.010 0.000 1.190 160 A CA 2.130 54.160 52.037 -0.012 0.000 0.647 160 A CB -1.142 17.852 19.000 -0.010 0.000 0.821 160 A HN 0.913 nan 8.150 nan 0.000 0.457 161 E N -0.896 119.298 120.200 -0.010 0.000 2.076 161 E HA -0.172 4.178 4.350 -0.000 0.000 0.190 161 E C 2.219 178.813 176.600 -0.009 0.000 0.979 161 E CA 0.864 57.259 56.400 -0.009 0.000 0.807 161 E CB -0.142 29.553 29.700 -0.008 0.000 0.761 161 E HN 0.771 nan 8.360 nan 0.000 0.454 162 Q N 0.262 120.055 119.800 -0.011 0.000 2.124 162 Q HA -0.137 4.203 4.340 -0.000 0.000 0.202 162 Q C 2.313 178.307 176.000 -0.010 0.000 0.977 162 Q CA 1.130 56.926 55.803 -0.012 0.000 0.850 162 Q CB -0.067 28.662 28.738 -0.016 0.000 0.901 162 Q HN 0.338 nan 8.270 nan 0.000 0.429 163 L N 1.060 122.276 121.223 -0.012 0.000 2.450 163 L HA -0.175 4.165 4.340 -0.000 0.000 0.224 163 L C 1.455 178.322 176.870 -0.005 0.000 1.149 163 L CA 0.409 55.242 54.840 -0.010 0.000 0.816 163 L CB -0.296 41.754 42.059 -0.014 0.000 0.932 163 L HN 0.237 nan 8.230 nan 0.000 0.449 164 N N -0.129 118.568 118.700 -0.004 0.000 2.424 164 N HA 0.127 4.867 4.740 -0.000 0.000 0.178 164 N C 0.701 176.211 175.510 0.001 0.000 1.060 164 N CA 0.287 53.336 53.050 -0.002 0.000 0.901 164 N CB 0.263 38.748 38.487 -0.003 0.000 0.979 164 N HN 0.250 nan 8.380 nan 0.000 0.451 165 I N 1.867 122.437 120.570 0.000 0.000 2.668 165 I HA -0.083 4.087 4.170 -0.000 0.000 0.285 165 I C 1.325 177.446 176.117 0.008 0.000 1.168 165 I CA 0.450 61.751 61.300 0.002 0.000 1.424 165 I CB 0.668 38.667 38.000 -0.001 0.000 1.377 165 I HN -0.126 nan 8.210 nan 0.000 0.560 166 K N 5.034 125.437 120.400 0.006 0.000 2.367 166 K HA 0.086 4.406 4.320 -0.000 0.000 0.194 166 K C 0.418 177.021 176.600 0.006 0.000 1.027 166 K CA 0.110 56.403 56.287 0.010 0.000 1.075 166 K CB 0.279 32.783 32.500 0.007 0.000 0.845 166 K HN 0.571 nan 8.250 nan 0.000 0.529 167 E N 2.301 122.502 120.200 0.001 0.000 2.229 167 E HA 0.165 4.515 4.350 -0.000 0.000 0.283 167 E C -0.752 175.846 176.600 -0.003 0.000 1.030 167 E CA -0.475 55.921 56.400 -0.006 0.000 0.836 167 E CB 1.030 30.726 29.700 -0.007 0.000 1.068 167 E HN -0.063 nan 8.360 nan 0.000 0.401 168 V N 1.853 121.758 119.914 -0.015 0.000 3.046 168 V HA 0.520 4.640 4.120 -0.000 0.000 0.316 168 V C -0.511 175.565 176.094 -0.031 0.000 1.104 168 V CA -1.232 61.061 62.300 -0.010 0.000 1.006 168 V CB 1.823 33.644 31.823 -0.003 0.000 1.058 168 V HN 0.683 nan 8.190 nan 0.000 0.440 169 N N 1.282 119.971 118.700 -0.018 0.000 2.444 169 N HA 0.320 5.060 4.740 -0.000 0.000 0.271 169 N C 0.946 176.423 175.510 -0.055 0.000 1.069 169 N CA 0.451 53.490 53.050 -0.019 0.000 0.965 169 N CB 1.604 40.094 38.487 0.006 0.000 1.092 169 N HN 1.017 nan 8.380 nan 0.000 0.476 170 T N 0.539 115.065 114.554 -0.046 0.000 3.081 170 T HA 0.219 4.569 4.350 -0.000 0.000 0.255 170 T C 1.364 176.039 174.700 -0.043 0.000 1.113 170 T CA 0.476 62.534 62.100 -0.070 0.000 1.082 170 T CB -0.342 68.506 68.868 -0.034 0.000 0.939 170 T HN 0.700 nan 8.240 nan 0.000 0.506 171 G N 0.739 109.561 108.800 0.037 0.000 2.225 171 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.254 171 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.254 171 G C 0.116 175.274 174.900 0.431 0.000 0.988 171 G CA 0.020 45.217 45.100 0.161 0.000 0.625 171 G HN 0.723 nan 8.290 nan 0.000 0.527 172 V N 2.727 122.830 119.914 0.315 0.000 2.488 172 V HA 0.686 4.806 4.120 -0.000 0.000 0.277 172 V C 0.632 176.826 176.094 0.167 0.000 1.046 172 V CA 0.992 63.445 62.300 0.255 0.000 0.986 172 V CB 1.029 32.959 31.823 0.177 0.000 0.989 172 V HN 0.722 nan 8.190 nan 0.000 0.475 173 M N 4.711 124.411 119.600 0.166 0.000 2.520 173 M HA 0.868 5.348 4.480 -0.000 0.000 0.283 173 M C -1.956 174.455 176.300 0.185 0.000 1.237 173 M CA -0.761 54.634 55.300 0.157 0.000 0.885 173 M CB 2.502 35.205 32.600 0.172 0.000 1.727 173 M HN 0.170 nan 8.290 nan 0.000 0.468 174 V N 1.110 121.111 119.914 0.146 0.000 2.588 174 V HA 0.870 4.990 4.120 -0.000 0.000 0.304 174 V C -0.595 175.574 176.094 0.126 0.000 1.042 174 V CA -0.310 62.087 62.300 0.160 0.000 0.877 174 V CB 1.687 33.564 31.823 0.090 0.000 0.996 174 V HN 0.973 nan 8.190 nan 0.000 0.425 175 S N 1.765 117.582 115.700 0.196 0.000 2.596 175 S HA 0.410 4.880 4.470 -0.000 0.000 0.270 175 S C -1.681 173.011 174.600 0.154 0.000 1.155 175 S CA -0.812 57.416 58.200 0.047 0.000 0.827 175 S CB 1.700 64.737 63.200 -0.270 0.000 1.130 175 S HN 0.988 nan 8.310 nan 0.000 0.467 176 D N 1.090 121.530 120.400 0.067 0.000 2.362 176 D HA 0.184 4.824 4.640 -0.000 0.000 0.242 176 D C 1.429 177.814 176.300 0.141 0.000 1.132 176 D CA 0.091 54.132 54.000 0.068 0.000 0.907 176 D CB 0.620 41.425 40.800 0.008 0.000 1.195 176 D HN 0.603 nan 8.370 nan 0.000 0.429 177 G N 1.029 109.897 108.800 0.114 0.000 2.514 177 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.217 177 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.217 177 G C 1.581 176.615 174.900 0.223 0.000 1.198 177 G CA 1.854 47.073 45.100 0.199 0.000 0.780 177 G HN 0.687 nan 8.290 nan 0.000 0.565 178 A N 0.467 123.332 122.820 0.075 0.000 1.917 178 A HA -0.067 4.253 4.320 -0.000 0.000 0.219 178 A C 2.724 180.231 177.584 -0.128 0.000 1.182 178 A CA 2.506 54.534 52.037 -0.015 0.000 0.633 178 A CB -0.730 18.236 19.000 -0.057 0.000 0.819 178 A HN 0.352 nan 8.150 nan 0.000 0.448 179 S N -1.072 114.486 115.700 -0.237 0.000 2.356 179 S HA -0.107 4.363 4.470 -0.000 0.000 0.223 179 S C 1.620 175.963 174.600 -0.429 0.000 1.032 179 S CA 1.446 59.255 58.200 -0.652 0.000 1.005 179 S CB -0.522 62.219 63.200 -0.764 0.000 0.867 179 S HN 0.519 nan 8.310 nan 0.000 0.449 180 F N 1.886 121.814 119.950 -0.037 0.000 2.046 180 F HA -0.141 4.386 4.527 0.000 0.000 0.297 180 F C 2.295 178.169 175.800 0.123 0.000 1.123 180 F CA 1.463 59.570 58.000 0.179 0.000 1.199 180 F CB -0.542 38.650 39.000 0.319 0.000 0.972 180 F HN 0.072 nan 8.300 nan 0.000 0.474 181 K N 0.003 120.580 120.400 0.294 0.000 2.089 181 K HA -0.281 4.039 4.320 -0.000 0.000 0.210 181 K C 2.132 178.750 176.600 0.031 0.000 1.048 181 K CA 2.008 58.353 56.287 0.096 0.000 0.926 181 K CB -0.288 32.228 32.500 0.028 0.000 0.714 181 K HN 0.165 nan 8.250 nan 0.000 0.448 182 K N -0.231 120.132 120.400 -0.061 0.000 2.025 182 K HA -0.147 4.173 4.320 -0.000 0.000 0.207 182 K C 1.846 178.445 176.600 -0.002 0.000 1.049 182 K CA 1.300 57.508 56.287 -0.132 0.000 0.933 182 K CB -0.002 32.287 32.500 -0.351 0.000 0.714 182 K HN 0.206 nan 8.250 nan 0.000 0.438 183 W N 1.333 122.662 121.300 0.048 0.000 2.418 183 W HA -0.016 4.644 4.660 -0.000 0.000 0.292 183 W C 1.936 178.498 176.519 0.071 0.000 1.213 183 W CA 0.357 57.726 57.345 0.040 0.000 1.283 183 W CB -0.805 28.654 29.460 -0.002 0.000 1.119 183 W HN 0.104 nan 8.180 nan 0.000 0.542 184 L N 0.481 121.893 121.223 0.316 0.000 2.012 184 L HA -0.231 4.109 4.340 -0.000 0.000 0.210 184 L C 2.687 179.628 176.870 0.119 0.000 1.073 184 L CA 1.762 56.733 54.840 0.218 0.000 0.748 184 L CB -1.246 40.928 42.059 0.191 0.000 0.891 184 L HN -0.135 nan 8.230 nan 0.000 0.431 185 A N -0.058 122.811 122.820 0.082 0.000 1.978 185 A HA -0.226 4.094 4.320 -0.000 0.000 0.220 185 A C 2.258 179.893 177.584 0.085 0.000 1.170 185 A CA 1.643 53.704 52.037 0.040 0.000 0.636 185 A CB -0.505 18.506 19.000 0.019 0.000 0.810 185 A HN 0.374 nan 8.150 nan 0.000 0.448 186 R N -0.814 119.768 120.500 0.136 0.000 2.310 186 R HA 0.163 4.503 4.340 -0.000 0.000 0.202 186 R C -0.456 175.945 176.300 0.167 0.000 0.933 186 R CA -0.163 56.026 56.100 0.149 0.000 1.054 186 R CB 0.089 30.496 30.300 0.177 0.000 0.985 186 R HN 0.299 nan 8.270 nan 0.000 0.489 187 V N 1.202 121.232 119.914 0.193 0.000 2.455 187 V HA 0.258 4.378 4.120 -0.000 0.000 0.273 187 V C 0.881 177.187 176.094 0.354 0.000 1.045 187 V CA -0.406 62.043 62.300 0.248 0.000 0.976 187 V CB 1.056 33.045 31.823 0.277 0.000 0.993 187 V HN 0.259 nan 8.190 nan 0.000 0.475 188 G N 3.290 112.242 108.800 0.252 0.000 2.462 188 G HA2 0.427 4.387 3.960 -0.000 0.000 0.319 188 G HA3 0.427 4.387 3.960 -0.000 0.000 0.319 188 G C 0.088 174.972 174.900 -0.027 0.000 1.171 188 G CA -0.697 44.512 45.100 0.182 0.000 0.920 188 G HN 0.922 nan 8.290 nan 0.000 0.499 189 N N -0.751 117.773 118.700 -0.293 0.000 2.467 189 N HA 0.030 4.770 4.740 -0.000 0.000 0.278 189 N C 0.031 175.405 175.510 -0.228 0.000 1.306 189 N CA -0.559 52.185 53.050 -0.510 0.000 0.905 189 N CB 0.493 38.269 38.487 -1.186 0.000 1.236 189 N HN 0.242 nan 8.380 nan 0.000 0.509 190 N N 2.442 121.087 118.700 -0.092 0.000 2.971 190 N HA 0.013 4.753 4.740 -0.000 0.000 0.294 190 N C -1.183 174.322 175.510 -0.008 0.000 1.210 190 N CA 0.098 53.123 53.050 -0.040 0.000 1.157 190 N CB -0.321 38.160 38.487 -0.010 0.000 1.450 190 N HN 0.657 nan 8.380 nan 0.000 0.527 191 N N -0.936 117.756 118.700 -0.014 0.000 2.732 191 N HA 0.230 4.970 4.740 -0.000 0.000 0.259 191 N C 0.335 175.854 175.510 0.015 0.000 1.402 191 N CA -0.590 52.481 53.050 0.035 0.000 0.829 191 N CB 0.759 39.336 38.487 0.150 0.000 1.495 191 N HN -0.078 nan 8.380 nan 0.000 0.511 192 A N 0.449 123.287 122.820 0.030 0.000 1.933 192 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 192 A C 1.794 179.387 177.584 0.014 0.000 1.175 192 A CA 1.518 53.565 52.037 0.016 0.000 0.628 192 A CB -0.658 18.352 19.000 0.016 0.000 0.814 192 A HN 0.768 nan 8.150 nan 0.000 0.444 193 Q N -1.627 118.197 119.800 0.040 0.000 2.432 193 Q HA 0.230 4.570 4.340 -0.000 0.000 0.205 193 Q C 0.967 176.940 176.000 -0.046 0.000 0.945 193 Q CA 0.284 56.100 55.803 0.022 0.000 0.924 193 Q CB 0.048 28.836 28.738 0.083 0.000 1.016 193 Q HN 0.850 nan 8.270 nan 0.000 0.503 194 G N 2.515 111.270 108.800 -0.075 0.000 2.295 194 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.287 194 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.287 194 G C -0.402 174.333 174.900 -0.276 0.000 1.055 194 G CA 0.861 45.867 45.100 -0.157 0.000 0.922 194 G HN 0.497 nan 8.290 nan 0.000 0.503 195 E N -1.027 118.945 120.200 -0.379 0.000 2.367 195 E HA 0.638 4.988 4.350 -0.000 0.000 0.273 195 E C -1.034 175.151 176.600 -0.693 0.000 0.903 195 E CA -1.511 54.591 56.400 -0.497 0.000 0.764 195 E CB 1.197 30.671 29.700 -0.377 0.000 1.252 195 E HN 0.180 nan 8.360 nan 0.000 0.446 196 Y N 1.108 121.223 120.300 -0.308 0.000 2.404 196 Y HA 0.225 4.775 4.550 -0.000 0.000 0.344 196 Y C -0.695 175.083 175.900 -0.204 0.000 0.995 196 Y CA -0.480 57.521 58.100 -0.164 0.000 1.201 196 Y CB 0.259 38.729 38.460 0.016 0.000 1.151 196 Y HN 0.397 nan 8.280 nan 0.000 0.517 197 Y N 3.021 123.433 120.300 0.186 0.000 2.313 197 Y HA 0.143 4.693 4.550 0.000 0.000 0.332 197 Y C 0.959 176.956 175.900 0.162 0.000 1.071 197 Y CA -0.872 57.316 58.100 0.146 0.000 1.169 197 Y CB 0.985 39.496 38.460 0.085 0.000 1.192 197 Y HN 0.597 nan 8.280 nan 0.000 0.487 198 L N 2.354 123.768 121.223 0.318 0.000 2.191 198 L HA -0.171 4.169 4.340 -0.000 0.000 0.212 198 L C 2.301 179.300 176.870 0.214 0.000 1.103 198 L CA 2.348 57.350 54.840 0.270 0.000 0.769 198 L CB -0.907 41.323 42.059 0.285 0.000 0.908 198 L HN 0.917 nan 8.230 nan 0.000 0.438 199 T N -4.905 109.765 114.554 0.194 0.000 2.929 199 T HA -0.170 4.180 4.350 -0.000 0.000 0.271 199 T C 1.587 176.324 174.700 0.061 0.000 1.085 199 T CA 1.136 63.299 62.100 0.106 0.000 1.125 199 T CB -0.580 68.327 68.868 0.065 0.000 0.874 199 T HN 0.280 nan 8.240 nan 0.000 0.494 200 D N 1.165 121.625 120.400 0.101 0.000 2.265 200 D HA -0.010 4.630 4.640 -0.000 0.000 0.208 200 D C 1.784 178.070 176.300 -0.024 0.000 0.977 200 D CA 0.433 54.467 54.000 0.057 0.000 0.871 200 D CB -0.372 40.500 40.800 0.119 0.000 0.925 200 D HN 0.309 nan 8.370 nan 0.000 0.485 201 L N 0.672 121.881 121.223 -0.024 0.000 2.187 201 L HA -0.159 4.181 4.340 -0.000 0.000 0.213 201 L C 2.145 178.796 176.870 -0.365 0.000 1.100 201 L CA 0.767 55.505 54.840 -0.170 0.000 0.765 201 L CB -0.254 41.772 42.059 -0.057 0.000 0.904 201 L HN 0.083 nan 8.230 nan 0.000 0.437 202 I N -0.755 119.684 120.570 -0.219 0.000 2.202 202 I HA -0.240 3.930 4.170 -0.000 0.000 0.242 202 I C 2.618 178.587 176.117 -0.246 0.000 1.091 202 I CA 1.512 62.676 61.300 -0.227 0.000 1.368 202 I CB -1.699 36.230 38.000 -0.119 0.000 1.058 202 I HN 0.227 nan 8.210 nan 0.000 0.410 203 A N 1.060 123.774 122.820 -0.178 0.000 1.902 203 A HA -0.129 4.191 4.320 -0.000 0.000 0.217 203 A C 2.393 179.860 177.584 -0.195 0.000 1.181 203 A CA 1.219 53.169 52.037 -0.144 0.000 0.623 203 A CB -0.842 18.110 19.000 -0.080 0.000 0.818 203 A HN 0.404 nan 8.150 nan 0.000 0.443 204 L N -0.846 120.211 121.223 -0.277 0.000 2.141 204 L HA -0.156 4.184 4.340 -0.000 0.000 0.209 204 L C 3.017 179.542 176.870 -0.575 0.000 1.094 204 L CA 0.932 55.571 54.840 -0.335 0.000 0.763 204 L CB -0.478 41.392 42.059 -0.314 0.000 0.908 204 L HN 0.430 nan 8.230 nan 0.000 0.437 205 A N -0.209 122.056 122.820 -0.925 0.000 1.897 205 A HA -0.195 4.125 4.320 -0.000 0.000 0.215 205 A C 2.169 179.585 177.584 -0.280 0.000 1.181 205 A CA 1.566 53.078 52.037 -0.875 0.000 0.620 205 A CB -0.602 17.759 19.000 -1.065 0.000 0.821 205 A HN 0.416 nan 8.150 nan 0.000 0.443 206 N N -0.771 117.789 118.700 -0.235 0.000 2.188 206 N HA -0.175 4.565 4.740 -0.000 0.000 0.184 206 N C 1.937 177.411 175.510 -0.060 0.000 1.018 206 N CA 1.533 54.516 53.050 -0.113 0.000 0.858 206 N CB -0.078 38.347 38.487 -0.103 0.000 0.989 206 N HN 0.663 nan 8.380 nan 0.000 0.426 207 Q N 0.242 120.003 119.800 -0.065 0.000 2.297 207 Q HA -0.074 4.266 4.340 -0.000 0.000 0.204 207 Q C 0.373 176.392 176.000 0.031 0.000 0.962 207 Q CA 0.960 56.754 55.803 -0.014 0.000 0.879 207 Q CB 0.241 28.971 28.738 -0.013 0.000 0.947 207 Q HN 0.171 nan 8.270 nan 0.000 0.462 208 D N -0.118 120.319 120.400 0.062 0.000 2.340 208 D HA -0.015 4.625 4.640 -0.000 0.000 0.220 208 D C -0.344 176.020 176.300 0.107 0.000 1.039 208 D CA 0.121 54.206 54.000 0.142 0.000 0.866 208 D CB -0.068 40.933 40.800 0.335 0.000 0.913 208 D HN 0.150 nan 8.370 nan 0.000 0.523 209 N N -0.242 118.492 118.700 0.056 0.000 2.725 209 N HA -0.197 4.543 4.740 -0.000 0.000 0.251 209 N C -1.453 174.093 175.510 0.060 0.000 1.031 209 N CA 0.241 53.316 53.050 0.041 0.000 0.720 209 N CB -1.582 36.926 38.487 0.036 0.000 0.930 209 N HN 0.131 nan 8.380 nan 0.000 0.543 210 C N 0.559 119.900 119.300 0.069 0.000 2.435 210 C HA 0.408 4.868 4.460 -0.000 0.000 0.333 210 C C 0.746 175.751 174.990 0.026 0.000 1.202 210 C CA -0.967 58.107 59.018 0.093 0.000 1.830 210 C CB 1.632 29.514 27.740 0.236 0.000 2.326 210 C HN 0.380 nan 8.230 nan 0.000 0.507 211 Q N 0.980 120.800 119.800 0.033 0.000 2.337 211 Q HA 0.327 4.667 4.340 -0.000 0.000 0.270 211 Q C -0.857 175.134 176.000 -0.014 0.000 1.002 211 Q CA 0.255 56.062 55.803 0.006 0.000 0.888 211 Q CB 0.938 29.686 28.738 0.017 0.000 1.222 211 Q HN 0.586 nan 8.270 nan 0.000 0.400 212 V N 4.030 123.923 119.914 -0.036 0.000 2.305 212 V HA 0.192 4.312 4.120 -0.000 0.000 0.275 212 V C -0.281 175.797 176.094 -0.027 0.000 1.020 212 V CA -0.594 61.676 62.300 -0.050 0.000 0.811 212 V CB 1.373 33.143 31.823 -0.087 0.000 1.031 212 V HN 0.477 nan 8.190 nan 0.000 0.439 213 V N 4.161 124.068 119.914 -0.013 0.000 2.432 213 V HA 0.688 4.808 4.120 -0.000 0.000 0.275 213 V C 0.723 176.816 176.094 -0.003 0.000 1.043 213 V CA -0.308 61.990 62.300 -0.005 0.000 0.925 213 V CB 1.535 33.361 31.823 0.004 0.000 0.985 213 V HN 0.879 nan 8.190 nan 0.000 0.466 214 A N 5.068 127.886 122.820 -0.004 0.000 2.301 214 A HA 0.763 5.083 4.320 -0.000 0.000 0.312 214 A C -0.525 177.061 177.584 0.004 0.000 1.182 214 A CA -0.455 51.582 52.037 -0.000 0.000 0.826 214 A CB 1.070 20.067 19.000 -0.005 0.000 1.134 214 A HN 0.665 nan 8.150 nan 0.000 0.501 215 V N 3.524 123.442 119.914 0.008 0.000 2.384 215 V HA 0.245 4.365 4.120 -0.000 0.000 0.287 215 V C -0.039 176.058 176.094 0.006 0.000 1.020 215 V CA -0.451 61.854 62.300 0.009 0.000 0.850 215 V CB 1.185 33.016 31.823 0.014 0.000 0.987 215 V HN 1.014 nan 8.190 nan 0.000 0.436 216 Q N 2.809 122.610 119.800 0.002 0.000 2.288 216 Q HA 0.645 4.985 4.340 -0.000 0.000 0.254 216 Q C 0.095 176.095 176.000 -0.000 0.000 0.932 216 Q CA -0.258 55.543 55.803 -0.002 0.000 0.902 216 Q CB 1.566 30.302 28.738 -0.004 0.000 1.203 216 Q HN 0.900 nan 8.270 nan 0.000 0.415 217 A N 1.485 124.302 122.820 -0.005 0.000 2.301 217 A HA 0.281 4.601 4.320 -0.000 0.000 0.298 217 A C 1.048 178.630 177.584 -0.004 0.000 1.185 217 A CA -0.426 51.610 52.037 -0.002 0.000 0.830 217 A CB 0.536 19.531 19.000 -0.009 0.000 1.112 217 A HN 0.903 nan 8.150 nan 0.000 0.508 218 T N -0.618 113.940 114.554 0.006 0.000 2.896 218 T HA -0.034 4.316 4.350 -0.000 0.000 0.263 218 T C 0.408 175.115 174.700 0.012 0.000 1.050 218 T CA 1.318 63.423 62.100 0.010 0.000 1.140 218 T CB -0.176 68.703 68.868 0.017 0.000 0.877 218 T HN 0.517 nan 8.240 nan 0.000 0.457 219 D N 1.237 121.647 120.400 0.017 0.000 2.396 219 D HA 0.337 4.977 4.640 -0.000 0.000 0.225 219 D C 1.257 177.535 176.300 -0.036 0.000 1.121 219 D CA -0.451 53.560 54.000 0.019 0.000 0.853 219 D CB 1.640 42.482 40.800 0.070 0.000 1.043 219 D HN 0.014 nan 8.370 nan 0.000 0.500 220 V N 4.234 124.115 119.914 -0.054 0.000 2.343 220 V HA -0.243 3.877 4.120 -0.000 0.000 0.247 220 V C 2.411 178.413 176.094 -0.154 0.000 1.051 220 V CA 1.154 63.398 62.300 -0.092 0.000 1.036 220 V CB -0.431 31.346 31.823 -0.077 0.000 0.654 220 V HN 0.646 nan 8.190 nan 0.000 0.451 221 M N -0.432 119.026 119.600 -0.237 0.000 2.279 221 M HA -0.151 4.329 4.480 -0.000 0.000 0.264 221 M C 2.128 178.202 176.300 -0.377 0.000 1.062 221 M CA 1.341 56.391 55.300 -0.415 0.000 1.099 221 M CB -1.152 30.914 32.600 -0.891 0.000 1.394 221 M HN 0.492 nan 8.290 nan 0.000 0.426 222 E N 0.577 120.623 120.200 -0.257 0.000 2.153 222 E HA -0.125 4.225 4.350 -0.000 0.000 0.194 222 E C 1.490 178.045 176.600 -0.076 0.000 0.988 222 E CA 1.387 57.716 56.400 -0.119 0.000 0.811 222 E CB 0.295 29.981 29.700 -0.024 0.000 0.746 222 E HN 0.456 nan 8.360 nan 0.000 0.466 223 V N -1.286 118.573 119.914 -0.090 0.000 3.483 223 V HA 0.220 4.340 4.120 -0.000 0.000 0.301 223 V C 0.247 176.277 176.094 -0.108 0.000 1.389 223 V CA -0.295 61.962 62.300 -0.070 0.000 1.101 223 V CB 0.201 31.985 31.823 -0.065 0.000 0.971 223 V HN -0.026 nan 8.190 nan 0.000 0.434 224 E N 1.831 121.951 120.200 -0.132 0.000 2.316 224 E HA 0.545 4.895 4.350 -0.000 0.000 0.275 224 E C 0.552 177.094 176.600 -0.097 0.000 1.029 224 E CA 0.456 56.774 56.400 -0.136 0.000 0.871 224 E CB 1.038 30.648 29.700 -0.150 0.000 1.022 224 E HN 0.580 nan 8.360 nan 0.000 0.418 225 G N 2.484 111.233 108.800 -0.084 0.000 2.389 225 G HA2 0.554 4.514 3.960 -0.000 0.000 0.317 225 G HA3 0.554 4.514 3.960 -0.000 0.000 0.317 225 G C -0.938 173.939 174.900 -0.038 0.000 1.137 225 G CA -0.408 44.662 45.100 -0.051 0.000 0.870 225 G HN 0.640 nan 8.290 nan 0.000 0.496 226 A N 2.074 124.873 122.820 -0.034 0.000 2.316 226 A HA 0.429 4.749 4.320 -0.000 0.000 0.311 226 A C 0.783 178.338 177.584 -0.048 0.000 1.339 226 A CA -0.772 51.242 52.037 -0.038 0.000 0.960 226 A CB 0.295 19.270 19.000 -0.042 0.000 1.152 226 A HN 0.585 nan 8.150 nan 0.000 0.547 227 N N 1.307 119.980 118.700 -0.044 0.000 2.356 227 N HA 0.028 4.768 4.740 -0.000 0.000 0.178 227 N C -0.074 175.382 175.510 -0.089 0.000 1.075 227 N CA 0.659 53.673 53.050 -0.059 0.000 0.889 227 N CB 0.232 38.698 38.487 -0.034 0.000 0.999 227 N HN 0.918 nan 8.380 nan 0.000 0.464 228 N N -1.420 117.236 118.700 -0.073 0.000 2.972 228 N HA 0.289 5.029 4.740 -0.000 0.000 0.262 228 N C 0.134 175.609 175.510 -0.058 0.000 1.478 228 N CA -0.701 52.308 53.050 -0.068 0.000 0.841 228 N CB 1.225 39.704 38.487 -0.012 0.000 1.512 228 N HN -0.336 nan 8.380 nan 0.000 0.548 229 R N -0.910 119.571 120.500 -0.031 0.000 2.153 229 R HA 0.084 4.424 4.340 -0.000 0.000 0.218 229 R C 1.400 177.706 176.300 0.009 0.000 1.072 229 R CA 0.434 56.524 56.100 -0.016 0.000 0.990 229 R CB -0.543 29.763 30.300 0.011 0.000 0.889 229 R HN 0.480 nan 8.270 nan 0.000 0.452 230 L N 1.663 122.896 121.223 0.017 0.000 2.012 230 L HA -0.232 4.108 4.340 -0.000 0.000 0.210 230 L C 2.006 178.885 176.870 0.016 0.000 1.073 230 L CA 1.877 56.730 54.840 0.021 0.000 0.748 230 L CB -0.376 41.697 42.059 0.024 0.000 0.891 230 L HN 0.118 nan 8.230 nan 0.000 0.431 231 Q N -1.193 118.610 119.800 0.005 0.000 2.119 231 Q HA -0.195 4.145 4.340 -0.000 0.000 0.201 231 Q C 2.242 178.240 176.000 -0.005 0.000 0.972 231 Q CA 1.537 57.340 55.803 -0.001 0.000 0.847 231 Q CB -0.289 28.445 28.738 -0.008 0.000 0.903 231 Q HN 0.481 nan 8.270 nan 0.000 0.433 232 L N 0.592 121.808 121.223 -0.011 0.000 2.046 232 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 232 L C 2.187 179.068 176.870 0.019 0.000 1.077 232 L CA 1.934 56.770 54.840 -0.006 0.000 0.747 232 L CB -0.576 41.475 42.059 -0.012 0.000 0.896 232 L HN 0.143 nan 8.230 nan 0.000 0.432 233 A N -0.721 122.116 122.820 0.029 0.000 1.933 233 A HA -0.116 4.204 4.320 -0.000 0.000 0.218 233 A C 2.440 180.059 177.584 0.058 0.000 1.175 233 A CA 1.678 53.742 52.037 0.046 0.000 0.628 233 A CB -1.105 17.921 19.000 0.043 0.000 0.814 233 A HN 0.551 nan 8.150 nan 0.000 0.444 234 A N -0.649 122.200 122.820 0.048 0.000 1.902 234 A HA -0.026 4.294 4.320 -0.000 0.000 0.217 234 A C 1.991 179.628 177.584 0.087 0.000 1.181 234 A CA 1.725 53.798 52.037 0.061 0.000 0.623 234 A CB -0.511 18.511 19.000 0.037 0.000 0.818 234 A HN 0.395 nan 8.150 nan 0.000 0.443 235 L N -0.376 120.880 121.223 0.056 0.000 2.093 235 L HA -0.111 4.229 4.340 -0.000 0.000 0.208 235 L C 2.383 179.346 176.870 0.155 0.000 1.085 235 L CA 2.225 57.106 54.840 0.068 0.000 0.755 235 L CB -0.832 41.221 42.059 -0.009 0.000 0.904 235 L HN 0.596 nan 8.230 nan 0.000 0.435 236 E N -0.363 119.906 120.200 0.115 0.000 2.077 236 E HA -0.249 4.101 4.350 -0.000 0.000 0.193 236 E C 2.372 179.096 176.600 0.205 0.000 0.989 236 E CA 1.140 57.627 56.400 0.145 0.000 0.800 236 E CB -0.028 29.728 29.700 0.094 0.000 0.746 236 E HN 0.118 nan 8.360 nan 0.000 0.452 237 R N -0.837 119.764 120.500 0.167 0.000 2.075 237 R HA -0.120 4.220 4.340 -0.000 0.000 0.232 237 R C 2.240 178.646 176.300 0.176 0.000 1.126 237 R CA 1.724 57.913 56.100 0.149 0.000 0.963 237 R CB -1.083 29.286 30.300 0.115 0.000 0.858 237 R HN 0.418 nan 8.270 nan 0.000 0.435 238 Y N -0.374 119.979 120.300 0.087 0.000 2.097 238 Y HA -0.284 4.266 4.550 -0.000 0.000 0.282 238 Y C 1.884 177.845 175.900 0.102 0.000 1.152 238 Y CA 2.216 60.364 58.100 0.080 0.000 1.136 238 Y CB -0.569 37.935 38.460 0.074 0.000 0.975 238 Y HN 0.166 nan 8.280 nan 0.000 0.498 239 F N 0.827 120.899 119.950 0.203 0.000 2.171 239 F HA -0.240 4.287 4.527 -0.000 0.000 0.300 239 F C 2.275 178.091 175.800 0.026 0.000 1.090 239 F CA 1.776 59.837 58.000 0.102 0.000 1.293 239 F CB -0.362 38.699 39.000 0.102 0.000 1.013 239 F HN 0.118 nan 8.300 nan 0.000 0.486 240 Q N 0.261 120.143 119.800 0.137 0.000 2.079 240 Q HA -0.226 4.114 4.340 -0.000 0.000 0.200 240 Q C 2.153 178.136 176.000 -0.028 0.000 0.974 240 Q CA 1.438 57.279 55.803 0.063 0.000 0.840 240 Q CB -1.093 27.722 28.738 0.129 0.000 0.898 240 Q HN 0.554 nan 8.270 nan 0.000 0.430 241 N N 0.984 119.645 118.700 -0.066 0.000 2.166 241 N HA -0.161 4.579 4.740 -0.000 0.000 0.186 241 N C 1.671 177.057 175.510 -0.206 0.000 1.019 241 N CA 0.905 53.889 53.050 -0.111 0.000 0.856 241 N CB 0.132 38.550 38.487 -0.116 0.000 0.993 241 N HN 0.161 nan 8.380 nan 0.000 0.426 242 K N 0.675 120.871 120.400 -0.340 0.000 2.057 242 K HA -0.113 4.207 4.320 -0.000 0.000 0.207 242 K C 2.097 178.523 176.600 -0.289 0.000 1.049 242 K CA 1.133 57.202 56.287 -0.363 0.000 0.931 242 K CB 0.033 32.252 32.500 -0.468 0.000 0.714 242 K HN 0.346 nan 8.250 nan 0.000 0.440 243 Q N -0.528 119.072 119.800 -0.333 0.000 2.084 243 Q HA -0.123 4.217 4.340 -0.000 0.000 0.202 243 Q C 2.029 177.978 176.000 -0.085 0.000 0.978 243 Q CA 1.408 57.085 55.803 -0.210 0.000 0.844 243 Q CB -0.063 28.568 28.738 -0.179 0.000 0.898 243 Q HN 0.328 nan 8.270 nan 0.000 0.426 244 A N 0.315 123.102 122.820 -0.055 0.000 1.930 244 A HA -0.129 4.191 4.320 -0.000 0.000 0.217 244 A C 2.255 179.744 177.584 -0.159 0.000 1.175 244 A CA 1.432 53.404 52.037 -0.108 0.000 0.627 244 A CB -0.333 18.645 19.000 -0.036 0.000 0.815 244 A HN 0.218 nan 8.150 nan 0.000 0.443 245 S N -0.308 115.312 115.700 -0.133 0.000 2.368 245 S HA -0.169 4.301 4.470 -0.000 0.000 0.225 245 S C 1.997 176.527 174.600 -0.116 0.000 1.030 245 S CA 1.691 59.816 58.200 -0.124 0.000 0.999 245 S CB -0.245 62.883 63.200 -0.121 0.000 0.844 245 S HN 0.717 nan 8.310 nan 0.000 0.459 246 K N 1.265 121.599 120.400 -0.111 0.000 2.009 246 K HA -0.068 4.252 4.320 -0.000 0.000 0.210 246 K C 1.981 178.530 176.600 -0.086 0.000 1.049 246 K CA 1.271 57.510 56.287 -0.081 0.000 0.929 246 K CB -0.340 32.121 32.500 -0.066 0.000 0.714 246 K HN 0.255 nan 8.250 nan 0.000 0.440 247 L N 0.853 122.000 121.223 -0.126 0.000 2.083 247 L HA -0.181 4.159 4.340 -0.000 0.000 0.209 247 L C 2.443 179.173 176.870 -0.232 0.000 1.083 247 L CA 0.945 55.667 54.840 -0.196 0.000 0.752 247 L CB -0.355 41.543 42.059 -0.267 0.000 0.899 247 L HN 0.239 nan 8.230 nan 0.000 0.433 248 L N -0.627 120.474 121.223 -0.204 0.000 2.017 248 L HA -0.238 4.102 4.340 -0.000 0.000 0.208 248 L C 2.413 179.209 176.870 -0.125 0.000 1.073 248 L CA 1.300 56.035 54.840 -0.175 0.000 0.745 248 L CB -0.380 41.585 42.059 -0.156 0.000 0.894 248 L HN 0.251 nan 8.230 nan 0.000 0.432 249 L N -0.805 120.360 121.223 -0.097 0.000 2.275 249 L HA -0.157 4.183 4.340 -0.000 0.000 0.215 249 L C 2.153 178.997 176.870 -0.044 0.000 1.119 249 L CA 0.877 55.678 54.840 -0.064 0.000 0.790 249 L CB -0.387 41.641 42.059 -0.052 0.000 0.919 249 L HN 0.294 nan 8.230 nan 0.000 0.443 250 E N -0.180 119.993 120.200 -0.044 0.000 2.427 250 E HA -0.004 4.346 4.350 -0.000 0.000 0.196 250 E C 1.395 178.003 176.600 0.013 0.000 1.028 250 E CA 0.542 56.953 56.400 0.019 0.000 0.864 250 E CB 0.207 29.974 29.700 0.112 0.000 0.813 250 E HN 0.549 nan 8.360 nan 0.000 0.514 251 G N 0.637 109.392 108.800 -0.075 0.000 2.192 251 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.193 251 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.193 251 G C 0.182 174.999 174.900 -0.137 0.000 0.999 251 G CA -0.120 44.936 45.100 -0.072 0.000 0.659 251 G HN 0.102 nan 8.290 nan 0.000 0.503 252 V N 1.740 121.499 119.914 -0.259 0.000 2.488 252 V HA 0.589 4.709 4.120 -0.000 0.000 0.277 252 V C 0.776 176.749 176.094 -0.201 0.000 1.046 252 V CA -0.181 61.949 62.300 -0.284 0.000 0.986 252 V CB 1.439 32.995 31.823 -0.445 0.000 0.989 252 V HN 0.360 nan 8.190 nan 0.000 0.475 253 M N 7.332 126.856 119.600 -0.128 0.000 2.135 253 M HA 0.438 4.918 4.480 -0.000 0.000 0.345 253 M C -0.659 175.622 176.300 -0.032 0.000 1.340 253 M CA -0.122 55.122 55.300 -0.093 0.000 1.162 253 M CB -0.185 32.368 32.600 -0.080 0.000 1.570 253 M HN 0.477 nan 8.290 nan 0.000 0.454 254 I N 6.129 126.638 120.570 -0.102 0.000 2.330 254 I HA 0.101 4.271 4.170 -0.000 0.000 0.286 254 I C -0.061 176.095 176.117 0.065 0.000 1.025 254 I CA -0.557 60.697 61.300 -0.077 0.000 1.197 254 I CB 0.750 38.543 38.000 -0.345 0.000 1.358 254 I HN 0.633 nan 8.210 nan 0.000 0.467 255 Y N 2.469 122.716 120.300 -0.088 0.000 2.256 255 Y HA -0.173 4.377 4.550 0.000 0.000 0.288 255 Y C 1.046 176.922 175.900 -0.041 0.000 1.155 255 Y CA 0.966 59.032 58.100 -0.056 0.000 1.203 255 Y CB -0.196 38.241 38.460 -0.038 0.000 0.980 255 Y HN 0.492 nan 8.280 nan 0.000 0.530 256 D N -1.393 119.087 120.400 0.134 0.000 2.319 256 D HA 0.167 4.807 4.640 -0.000 0.000 0.237 256 D C -2.307 174.035 176.300 0.071 0.000 1.353 256 D CA -2.057 51.990 54.000 0.078 0.000 0.992 256 D CB 1.405 42.257 40.800 0.087 0.000 1.368 256 D HN -0.146 nan 8.370 nan 0.000 0.564 257 P HA -0.111 nan 4.420 nan 0.000 0.219 257 P C 1.074 178.432 177.300 0.097 0.000 1.146 257 P CA 0.702 63.821 63.100 0.032 0.000 0.808 257 P CB 0.237 31.918 31.700 -0.031 0.000 0.779 258 A N -0.314 122.548 122.820 0.070 0.000 2.209 258 A HA -0.047 4.273 4.320 -0.000 0.000 0.212 258 A C 1.712 179.349 177.584 0.088 0.000 1.158 258 A CA 0.664 52.744 52.037 0.071 0.000 0.742 258 A CB -0.723 18.307 19.000 0.050 0.000 0.790 258 A HN 0.129 nan 8.150 nan 0.000 0.472 259 R N -1.427 119.141 120.500 0.113 0.000 2.834 259 R HA 0.355 4.695 4.340 -0.000 0.000 0.362 259 R C -1.419 174.984 176.300 0.172 0.000 1.147 259 R CA -0.163 56.003 56.100 0.109 0.000 1.125 259 R CB 0.270 30.619 30.300 0.082 0.000 1.361 259 R HN 0.377 nan 8.270 nan 0.000 0.598 260 F N 0.297 120.253 119.950 0.009 0.000 2.565 260 F HA 0.440 4.967 4.527 0.000 0.000 0.313 260 F C -1.320 174.490 175.800 0.017 0.000 1.091 260 F CA -0.779 57.223 58.000 0.004 0.000 0.915 260 F CB 1.827 40.824 39.000 -0.006 0.000 1.208 260 F HN -0.052 nan 8.300 nan 0.000 0.453 261 D N 6.207 126.112 120.400 -0.825 0.000 2.620 261 D HA 0.285 4.925 4.640 -0.000 0.000 0.252 261 D C -1.670 174.174 176.300 -0.759 0.000 1.207 261 D CA -0.262 53.405 54.000 -0.555 0.000 0.884 261 D CB 2.660 43.317 40.800 -0.238 0.000 1.262 261 D HN 0.467 nan 8.370 nan 0.000 0.552 262 L N 2.849 123.814 121.223 -0.430 0.000 2.294 262 L HA 0.389 4.729 4.340 -0.000 0.000 0.283 262 L C -0.382 176.503 176.870 0.026 0.000 1.015 262 L CA -0.320 54.419 54.840 -0.168 0.000 0.831 262 L CB 0.751 42.853 42.059 0.072 0.000 1.217 262 L HN 0.229 nan 8.230 nan 0.000 0.420 263 R N 4.617 125.125 120.500 0.013 0.000 3.057 263 R HA 0.706 5.046 4.340 -0.000 0.000 0.291 263 R C 0.067 176.403 176.300 0.060 0.000 1.394 263 R CA -0.000 56.138 56.100 0.064 0.000 1.630 263 R CB 0.797 31.115 30.300 0.030 0.000 1.268 263 R HN 0.928 nan 8.270 nan 0.000 0.621 264 G N 0.016 108.871 108.800 0.091 0.000 2.564 264 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.139 264 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.139 264 G C -1.107 173.848 174.900 0.092 0.000 1.147 264 G CA -0.318 44.825 45.100 0.071 0.000 1.031 264 G HN 0.194 nan 8.290 nan 0.000 0.482 265 T N -1.493 113.105 114.554 0.073 0.000 2.841 265 T HA 0.696 5.046 4.350 -0.000 0.000 0.283 265 T C -1.186 173.564 174.700 0.084 0.000 1.000 265 T CA -0.536 61.612 62.100 0.080 0.000 0.977 265 T CB 1.923 70.827 68.868 0.060 0.000 0.979 265 T HN 1.410 nan 8.240 nan 0.000 0.446 266 L N 1.890 123.177 121.223 0.108 0.000 2.356 266 L HA 0.695 5.035 4.340 -0.000 0.000 0.277 266 L C -0.426 176.520 176.870 0.127 0.000 0.996 266 L CA -0.559 54.356 54.840 0.126 0.000 0.822 266 L CB 1.744 43.907 42.059 0.173 0.000 1.256 266 L HN 0.955 nan 8.230 nan 0.000 0.413 267 E N 3.127 123.382 120.200 0.092 0.000 2.158 267 E HA 0.503 4.853 4.350 -0.000 0.000 0.271 267 E C -1.545 175.096 176.600 0.069 0.000 0.911 267 E CA -0.577 55.843 56.400 0.034 0.000 0.767 267 E CB 0.804 30.503 29.700 -0.001 0.000 1.120 267 E HN 0.830 nan 8.360 nan 0.000 0.405 268 H N 1.352 120.427 119.070 0.008 0.000 2.821 268 H HA 0.707 5.263 4.556 -0.000 0.000 0.373 268 H C -0.003 175.323 175.328 -0.004 0.000 1.165 268 H CA -0.870 55.180 56.048 0.003 0.000 1.154 268 H CB 1.519 31.280 29.762 -0.001 0.000 1.765 268 H HN 0.499 nan 8.280 nan 0.000 0.549 269 G N 0.518 109.379 108.800 0.102 0.000 2.641 269 G HA2 0.405 4.365 3.960 -0.000 0.000 0.239 269 G HA3 0.405 4.365 3.960 -0.000 0.000 0.239 269 G C -0.786 174.208 174.900 0.158 0.000 1.402 269 G CA -1.210 43.927 45.100 0.062 0.000 1.046 269 G HN 0.921 nan 8.290 nan 0.000 0.565 270 K N -1.148 119.300 120.400 0.081 0.000 2.087 270 K HA 0.432 4.752 4.320 -0.000 0.000 0.255 270 K C -0.685 175.939 176.600 0.040 0.000 0.988 270 K CA -0.183 56.145 56.287 0.069 0.000 0.915 270 K CB 1.187 33.709 32.500 0.036 0.000 1.043 270 K HN 0.282 nan 8.250 nan 0.000 0.457 271 D N -0.468 119.944 120.400 0.019 0.000 2.772 271 D HA -0.132 4.508 4.640 -0.000 0.000 0.233 271 D C -0.759 175.545 176.300 0.007 0.000 1.143 271 D CA 0.662 54.664 54.000 0.004 0.000 0.700 271 D CB -1.319 39.482 40.800 0.002 0.000 1.076 271 D HN 0.320 nan 8.370 nan 0.000 0.430 272 V N 0.655 120.572 119.914 0.004 0.000 2.530 272 V HA 0.134 4.254 4.120 -0.000 0.000 0.282 272 V C 0.852 176.943 176.094 -0.006 0.000 1.048 272 V CA 0.172 62.472 62.300 0.001 0.000 0.997 272 V CB 1.511 33.335 31.823 0.002 0.000 0.987 272 V HN 0.001 nan 8.190 nan 0.000 0.477 273 E N 5.289 125.504 120.200 0.024 0.000 2.176 273 E HA 0.586 4.936 4.350 -0.000 0.000 0.267 273 E C -1.116 175.508 176.600 0.039 0.000 0.893 273 E CA -0.504 55.952 56.400 0.093 0.000 0.761 273 E CB 2.402 32.198 29.700 0.159 0.000 1.133 273 E HN 0.539 nan 8.360 nan 0.000 0.409 274 I N 2.547 123.145 120.570 0.048 0.000 2.439 274 I HA 0.211 4.381 4.170 -0.000 0.000 0.283 274 I C -0.080 175.942 176.117 -0.158 0.000 1.023 274 I CA -0.791 60.485 61.300 -0.040 0.000 1.100 274 I CB 1.393 39.395 38.000 0.004 0.000 1.238 274 I HN 0.440 nan 8.210 nan 0.000 0.445 275 D N 4.184 124.357 120.400 -0.378 0.000 2.414 275 D HA 0.211 4.851 4.640 -0.000 0.000 0.251 275 D C -0.113 176.051 176.300 -0.226 0.000 1.252 275 D CA -0.166 53.469 54.000 -0.608 0.000 0.999 275 D CB 1.700 42.129 40.800 -0.619 0.000 1.093 275 D HN 0.259 nan 8.370 nan 0.000 0.515 276 V N 0.149 119.960 119.914 -0.173 0.000 2.843 276 V HA 0.229 4.349 4.120 -0.000 0.000 0.305 276 V C 0.130 176.204 176.094 -0.034 0.000 1.065 276 V CA -0.917 61.366 62.300 -0.029 0.000 1.116 276 V CB 0.405 32.232 31.823 0.007 0.000 0.968 276 V HN 0.694 nan 8.190 nan 0.000 0.487 277 N N 0.893 119.606 118.700 0.021 0.000 2.753 277 N HA -0.124 4.616 4.740 -0.000 0.000 0.252 277 N C -0.647 174.847 175.510 -0.027 0.000 1.071 277 N CA 0.877 53.931 53.050 0.007 0.000 0.690 277 N CB -1.152 37.344 38.487 0.014 0.000 0.906 277 N HN 0.765 nan 8.380 nan 0.000 0.552 278 V N 1.215 121.124 119.914 -0.008 0.000 2.628 278 V HA 0.595 4.715 4.120 -0.000 0.000 0.306 278 V C 0.667 176.679 176.094 -0.137 0.000 1.045 278 V CA -0.640 61.636 62.300 -0.039 0.000 0.905 278 V CB 2.463 34.306 31.823 0.033 0.000 0.997 278 V HN 0.168 nan 8.190 nan 0.000 0.436 279 I N 5.262 125.753 120.570 -0.131 0.000 2.436 279 I HA 0.476 4.646 4.170 -0.000 0.000 0.289 279 I C -0.949 175.082 176.117 -0.143 0.000 1.010 279 I CA -0.511 60.679 61.300 -0.183 0.000 1.098 279 I CB 1.826 39.766 38.000 -0.100 0.000 1.266 279 I HN 0.300 nan 8.210 nan 0.000 0.434 280 I N 5.825 126.277 120.570 -0.197 0.000 2.362 280 I HA 0.436 4.606 4.170 -0.000 0.000 0.289 280 I C -0.183 175.901 176.117 -0.055 0.000 0.994 280 I CA -0.401 60.847 61.300 -0.087 0.000 1.158 280 I CB 1.272 39.248 38.000 -0.041 0.000 1.315 280 I HN 0.638 nan 8.210 nan 0.000 0.451 281 E N 3.233 123.422 120.200 -0.019 0.000 2.288 281 E HA 0.663 5.013 4.350 -0.000 0.000 0.268 281 E C 0.320 176.926 176.600 0.010 0.000 0.885 281 E CA -0.601 55.797 56.400 -0.003 0.000 0.767 281 E CB 2.614 32.311 29.700 -0.005 0.000 1.220 281 E HN 0.797 nan 8.360 nan 0.000 0.427 282 G N 2.832 111.641 108.800 0.016 0.000 2.528 282 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.262 282 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.262 282 G C -0.573 174.342 174.900 0.024 0.000 1.200 282 G CA -0.540 44.569 45.100 0.016 0.000 0.951 282 G HN 0.524 nan 8.290 nan 0.000 0.566 283 N N 0.473 119.185 118.700 0.020 0.000 2.439 283 N HA 0.525 5.265 4.740 -0.000 0.000 0.249 283 N C -0.499 175.027 175.510 0.026 0.000 1.003 283 N CA -0.110 52.954 53.050 0.024 0.000 0.942 283 N CB 1.674 40.171 38.487 0.017 0.000 1.115 283 N HN 0.567 nan 8.380 nan 0.000 0.505 284 V N 2.258 122.194 119.914 0.037 0.000 2.487 284 V HA 0.365 4.485 4.120 -0.000 0.000 0.298 284 V C 0.103 176.224 176.094 0.045 0.000 1.028 284 V CA -0.831 61.492 62.300 0.038 0.000 0.860 284 V CB 2.175 34.025 31.823 0.046 0.000 0.991 284 V HN 0.462 nan 8.190 nan 0.000 0.427 285 K N 5.388 125.808 120.400 0.033 0.000 2.323 285 K HA 0.730 5.050 4.320 -0.000 0.000 0.259 285 K C -1.656 174.963 176.600 0.033 0.000 0.947 285 K CA -0.610 55.696 56.287 0.031 0.000 0.819 285 K CB 1.327 33.836 32.500 0.014 0.000 1.109 285 K HN 0.627 nan 8.250 nan 0.000 0.429 286 L N 3.596 124.847 121.223 0.048 0.000 2.356 286 L HA 0.466 4.806 4.340 -0.000 0.000 0.277 286 L C 0.741 177.636 176.870 0.041 0.000 0.996 286 L CA -1.040 53.828 54.840 0.047 0.000 0.822 286 L CB 1.866 43.966 42.059 0.068 0.000 1.256 286 L HN 0.803 nan 8.230 nan 0.000 0.413 287 G N 1.223 110.036 108.800 0.021 0.000 2.553 287 G HA2 0.170 4.130 3.960 -0.000 0.000 0.278 287 G HA3 0.170 4.130 3.960 -0.000 0.000 0.278 287 G C -0.445 174.469 174.900 0.023 0.000 1.349 287 G CA -0.546 44.562 45.100 0.014 0.000 1.037 287 G HN 0.557 nan 8.290 nan 0.000 0.508 288 D N -0.407 120.001 120.400 0.015 0.000 2.423 288 D HA 0.168 4.808 4.640 -0.000 0.000 0.238 288 D C 0.840 177.147 176.300 0.012 0.000 1.142 288 D CA 0.332 54.343 54.000 0.018 0.000 0.884 288 D CB 0.514 41.319 40.800 0.009 0.000 1.199 288 D HN 0.466 nan 8.370 nan 0.000 0.438 289 R N -0.878 119.630 120.500 0.014 0.000 3.641 289 R HA -0.154 4.186 4.340 -0.000 0.000 0.286 289 R C -0.566 175.735 176.300 0.001 0.000 1.153 289 R CA 0.054 56.157 56.100 0.006 0.000 0.775 289 R CB -1.953 28.348 30.300 0.001 0.000 1.215 289 R HN 0.204 nan 8.270 nan 0.000 0.474 290 V N 1.422 121.339 119.914 0.004 0.000 2.555 290 V HA 0.107 4.227 4.120 -0.000 0.000 0.286 290 V C 0.813 176.902 176.094 -0.008 0.000 1.044 290 V CA 0.212 62.510 62.300 -0.004 0.000 1.026 290 V CB 1.378 33.202 31.823 0.002 0.000 0.981 290 V HN 0.117 nan 8.190 nan 0.000 0.480 291 K N 6.086 126.473 120.400 -0.022 0.000 2.307 291 K HA 0.634 4.954 4.320 -0.000 0.000 0.263 291 K C -1.046 175.516 176.600 -0.063 0.000 0.973 291 K CA -0.354 55.913 56.287 -0.034 0.000 0.846 291 K CB 1.782 34.262 32.500 -0.033 0.000 1.100 291 K HN 0.515 nan 8.250 nan 0.000 0.438 292 I N 2.428 122.951 120.570 -0.079 0.000 2.382 292 I HA 0.238 4.408 4.170 -0.000 0.000 0.286 292 I C 0.718 176.730 176.117 -0.175 0.000 1.002 292 I CA -0.627 60.610 61.300 -0.104 0.000 1.135 292 I CB 1.723 39.687 38.000 -0.061 0.000 1.288 292 I HN 0.684 nan 8.210 nan 0.000 0.448 293 G N 3.380 112.057 108.800 -0.204 0.000 2.588 293 G HA2 0.220 4.180 3.960 -0.000 0.000 0.281 293 G HA3 0.220 4.180 3.960 -0.000 0.000 0.281 293 G C -0.059 174.648 174.900 -0.322 0.000 1.236 293 G CA -0.267 44.669 45.100 -0.273 0.000 0.969 293 G HN 0.449 nan 8.290 nan 0.000 0.504 294 T N -1.076 113.247 114.554 -0.385 0.000 2.940 294 T HA 0.393 4.743 4.350 -0.000 0.000 0.309 294 T C 1.555 175.869 174.700 -0.643 0.000 1.056 294 T CA 1.724 63.576 62.100 -0.413 0.000 1.137 294 T CB -0.025 68.638 68.868 -0.341 0.000 0.976 294 T HN 1.988 nan 8.240 nan 0.000 0.547 295 G N 2.871 111.429 108.800 -0.404 0.000 2.168 295 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.257 295 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.257 295 G C 0.473 175.253 174.900 -0.200 0.000 0.997 295 G CA 0.081 44.997 45.100 -0.307 0.000 0.708 295 G HN 0.941 nan 8.290 nan 0.000 0.520 296 C N -0.383 118.800 119.300 -0.196 0.000 2.459 296 C HA 0.666 5.126 4.460 -0.000 0.000 0.374 296 C C 0.854 175.814 174.990 -0.051 0.000 1.241 296 C CA -0.577 58.374 59.018 -0.110 0.000 2.352 296 C CB 1.391 29.058 27.740 -0.122 0.000 2.490 296 C HN 0.424 nan 8.230 nan 0.000 0.583 297 V N 3.923 123.824 119.914 -0.021 0.000 2.443 297 V HA 0.431 4.551 4.120 -0.000 0.000 0.293 297 V C -0.747 175.341 176.094 -0.009 0.000 1.021 297 V CA -0.300 61.992 62.300 -0.013 0.000 0.848 297 V CB 1.296 33.124 31.823 0.009 0.000 0.998 297 V HN 0.579 nan 8.190 nan 0.000 0.424 298 L N 5.213 126.428 121.223 -0.013 0.000 2.319 298 L HA 0.596 4.936 4.340 -0.000 0.000 0.281 298 L C -0.192 176.678 176.870 -0.000 0.000 1.005 298 L CA -0.059 54.779 54.840 -0.004 0.000 0.828 298 L CB 1.579 43.639 42.059 0.001 0.000 1.227 298 L HN 0.600 nan 8.230 nan 0.000 0.415 299 K N 3.758 124.161 120.400 0.004 0.000 2.535 299 K HA 0.400 4.720 4.320 -0.000 0.000 0.253 299 K C -0.718 175.887 176.600 0.008 0.000 0.953 299 K CA -0.445 55.846 56.287 0.006 0.000 0.863 299 K CB 0.611 33.114 32.500 0.006 0.000 1.111 299 K HN 0.563 nan 8.250 nan 0.000 0.431 300 N N 1.411 120.116 118.700 0.010 0.000 2.681 300 N HA -0.151 4.589 4.740 -0.000 0.000 0.259 300 N C -0.876 174.639 175.510 0.009 0.000 1.066 300 N CA 1.293 54.348 53.050 0.009 0.000 0.717 300 N CB -1.241 37.250 38.487 0.006 0.000 0.885 300 N HN 0.471 nan 8.380 nan 0.000 0.547 301 V N -3.381 116.539 119.914 0.010 0.000 3.040 301 V HA 0.865 4.985 4.120 -0.000 0.000 0.312 301 V C 0.080 176.180 176.094 0.009 0.000 1.115 301 V CA -0.857 61.447 62.300 0.008 0.000 0.998 301 V CB 2.973 34.799 31.823 0.006 0.000 1.042 301 V HN -0.101 nan 8.190 nan 0.000 0.433 302 V N 4.674 124.590 119.914 0.004 0.000 2.407 302 V HA 0.539 4.659 4.120 -0.000 0.000 0.291 302 V C -0.613 175.481 176.094 -0.001 0.000 1.018 302 V CA -0.335 61.967 62.300 0.004 0.000 0.842 302 V CB 1.391 33.215 31.823 0.001 0.000 0.996 302 V HN 0.744 nan 8.190 nan 0.000 0.426 303 I N 4.449 125.020 120.570 0.002 0.000 2.355 303 I HA 0.468 4.638 4.170 -0.000 0.000 0.288 303 I C 0.998 177.112 176.117 -0.005 0.000 0.999 303 I CA -0.050 61.247 61.300 -0.005 0.000 1.163 303 I CB 1.175 39.173 38.000 -0.004 0.000 1.316 303 I HN 0.657 nan 8.210 nan 0.000 0.454 304 G N 5.580 114.373 108.800 -0.012 0.000 2.683 304 G HA2 0.088 4.048 3.960 -0.000 0.000 0.260 304 G HA3 0.088 4.048 3.960 -0.000 0.000 0.260 304 G C 0.263 175.156 174.900 -0.012 0.000 1.238 304 G CA -0.468 44.624 45.100 -0.012 0.000 0.934 304 G HN 0.625 nan 8.290 nan 0.000 0.534 305 N N 0.752 119.446 118.700 -0.011 0.000 2.407 305 N HA 0.080 4.820 4.740 -0.000 0.000 0.250 305 N C 0.274 175.773 175.510 -0.017 0.000 1.236 305 N CA 0.312 53.356 53.050 -0.010 0.000 0.879 305 N CB 0.428 38.910 38.487 -0.009 0.000 1.088 305 N HN 0.575 nan 8.380 nan 0.000 0.450 306 D N -1.643 118.748 120.400 -0.015 0.000 3.041 306 D HA -0.156 4.484 4.640 -0.000 0.000 0.220 306 D C -0.723 175.556 176.300 -0.034 0.000 1.157 306 D CA 0.518 54.505 54.000 -0.021 0.000 0.876 306 D CB -1.250 39.537 40.800 -0.021 0.000 1.107 306 D HN 0.169 nan 8.370 nan 0.000 0.422 307 V N 0.953 120.846 119.914 -0.036 0.000 2.530 307 V HA 0.147 4.267 4.120 -0.000 0.000 0.282 307 V C 0.747 176.812 176.094 -0.048 0.000 1.048 307 V CA 0.056 62.327 62.300 -0.049 0.000 0.997 307 V CB 1.751 33.547 31.823 -0.045 0.000 0.987 307 V HN 0.077 nan 8.190 nan 0.000 0.477 308 E N 4.869 125.032 120.200 -0.061 0.000 2.151 308 E HA 0.494 4.844 4.350 -0.000 0.000 0.275 308 E C -1.137 175.418 176.600 -0.074 0.000 0.936 308 E CA -0.642 55.721 56.400 -0.062 0.000 0.777 308 E CB 1.200 30.865 29.700 -0.058 0.000 1.108 308 E HN 0.647 nan 8.360 nan 0.000 0.401 309 I N 4.980 125.503 120.570 -0.079 0.000 2.330 309 I HA 0.249 4.419 4.170 -0.000 0.000 0.286 309 I C 0.194 176.236 176.117 -0.125 0.000 1.025 309 I CA -0.642 60.602 61.300 -0.092 0.000 1.197 309 I CB 1.154 39.106 38.000 -0.080 0.000 1.358 309 I HN 0.356 nan 8.210 nan 0.000 0.467 310 K N 6.732 127.051 120.400 -0.135 0.000 2.138 310 K HA 0.337 4.657 4.320 -0.000 0.000 0.251 310 K C -2.332 174.119 176.600 -0.249 0.000 1.015 310 K CA -1.412 54.771 56.287 -0.174 0.000 0.917 310 K CB 0.348 32.757 32.500 -0.151 0.000 1.021 310 K HN 0.197 nan 8.250 nan 0.000 0.485 311 P HA -0.139 nan 4.420 nan 0.000 0.267 311 P C -1.095 175.891 177.300 -0.525 0.000 1.195 311 P CA 0.578 63.362 63.100 -0.527 0.000 0.773 311 P CB 0.057 31.437 31.700 -0.534 0.000 0.837 312 Y N -1.600 118.539 120.300 -0.269 0.000 3.168 312 Y HA -0.221 4.329 4.550 0.000 0.000 0.207 312 Y C 0.169 175.982 175.900 -0.145 0.000 1.280 312 Y CA 0.073 58.050 58.100 -0.205 0.000 1.235 312 Y CB -2.536 35.773 38.460 -0.252 0.000 1.370 312 Y HN 0.137 nan 8.280 nan 0.000 0.537 313 S N -0.035 115.632 115.700 -0.056 0.000 2.509 313 S HA 0.766 5.236 4.470 -0.000 0.000 0.297 313 S C -0.088 174.521 174.600 0.014 0.000 1.118 313 S CA -0.891 57.301 58.200 -0.013 0.000 1.074 313 S CB 2.420 65.583 63.200 -0.061 0.000 1.038 313 S HN 0.113 nan 8.310 nan 0.000 0.498 314 V N 4.081 124.021 119.914 0.043 0.000 2.444 314 V HA 0.513 4.633 4.120 -0.000 0.000 0.294 314 V C -1.238 174.875 176.094 0.032 0.000 1.022 314 V CA -0.607 61.718 62.300 0.042 0.000 0.850 314 V CB 1.188 33.051 31.823 0.067 0.000 0.992 314 V HN 0.632 nan 8.190 nan 0.000 0.426 315 L N 4.481 125.714 121.223 0.018 0.000 2.385 315 L HA 0.687 5.027 4.340 -0.000 0.000 0.273 315 L C -0.320 176.559 176.870 0.014 0.000 0.990 315 L CA -0.126 54.722 54.840 0.014 0.000 0.821 315 L CB 1.929 43.990 42.059 0.004 0.000 1.279 315 L HN 0.712 nan 8.230 nan 0.000 0.412 316 E N 2.030 122.241 120.200 0.017 0.000 2.292 316 E HA 0.251 4.601 4.350 -0.000 0.000 0.272 316 E C -1.119 175.489 176.600 0.012 0.000 0.881 316 E CA -0.547 55.862 56.400 0.014 0.000 0.754 316 E CB 1.320 31.031 29.700 0.017 0.000 1.201 316 E HN 0.647 nan 8.360 nan 0.000 0.425 317 D N 2.082 122.487 120.400 0.009 0.000 2.704 317 D HA -0.153 4.487 4.640 -0.000 0.000 0.232 317 D C -1.025 175.279 176.300 0.006 0.000 1.183 317 D CA 1.118 55.122 54.000 0.007 0.000 0.647 317 D CB -0.613 40.190 40.800 0.006 0.000 1.013 317 D HN 0.200 nan 8.370 nan 0.000 0.415 318 S N -0.333 115.370 115.700 0.005 0.000 2.599 318 S HA 0.757 5.227 4.470 -0.000 0.000 0.294 318 S C 0.239 174.838 174.600 -0.001 0.000 1.094 318 S CA -0.657 57.544 58.200 0.002 0.000 0.931 318 S CB 2.464 65.666 63.200 0.003 0.000 1.093 318 S HN 0.173 nan 8.310 nan 0.000 0.488 319 I N 1.745 122.313 120.570 -0.004 0.000 2.465 319 I HA 0.505 4.675 4.170 -0.000 0.000 0.291 319 I C -1.239 174.871 176.117 -0.011 0.000 1.014 319 I CA -0.760 60.536 61.300 -0.006 0.000 1.093 319 I CB 1.926 39.922 38.000 -0.006 0.000 1.267 319 I HN 0.224 nan 8.210 nan 0.000 0.431 320 V N 5.032 124.938 119.914 -0.014 0.000 2.443 320 V HA 0.521 4.641 4.120 -0.000 0.000 0.293 320 V C 0.634 176.714 176.094 -0.023 0.000 1.021 320 V CA -0.613 61.674 62.300 -0.022 0.000 0.848 320 V CB 1.499 33.306 31.823 -0.026 0.000 0.998 320 V HN 0.890 nan 8.190 nan 0.000 0.424 321 G N 3.358 112.142 108.800 -0.026 0.000 2.634 321 G HA2 0.396 4.356 3.960 -0.000 0.000 0.255 321 G HA3 0.396 4.356 3.960 -0.000 0.000 0.255 321 G C 0.070 174.951 174.900 -0.033 0.000 1.205 321 G CA -0.416 44.669 45.100 -0.026 0.000 0.884 321 G HN 0.908 nan 8.290 nan 0.000 0.549 322 E N -0.462 119.721 120.200 -0.028 0.000 2.415 322 E HA 0.143 4.493 4.350 -0.000 0.000 0.262 322 E C -0.056 176.517 176.600 -0.044 0.000 1.038 322 E CA 0.001 56.382 56.400 -0.031 0.000 0.921 322 E CB 0.525 30.212 29.700 -0.021 0.000 0.950 322 E HN 0.558 nan 8.360 nan 0.000 0.438 323 K N -0.921 119.450 120.400 -0.050 0.000 3.426 323 K HA -0.254 4.066 4.320 -0.000 0.000 0.315 323 K C 0.033 176.563 176.600 -0.117 0.000 1.293 323 K CA 0.690 56.937 56.287 -0.067 0.000 0.955 323 K CB -1.820 30.649 32.500 -0.052 0.000 1.238 323 K HN 0.706 nan 8.250 nan 0.000 0.441 324 A N 0.886 123.636 122.820 -0.117 0.000 2.425 324 A HA 0.580 4.900 4.320 -0.000 0.000 0.242 324 A C 0.314 177.789 177.584 -0.181 0.000 1.077 324 A CA 0.438 52.374 52.037 -0.168 0.000 0.781 324 A CB 0.502 19.435 19.000 -0.112 0.000 1.020 324 A HN 0.421 nan 8.150 nan 0.000 0.494 325 A N 1.992 124.664 122.820 -0.247 0.000 2.319 325 A HA 0.636 4.956 4.320 -0.000 0.000 0.310 325 A C -0.587 176.929 177.584 -0.113 0.000 1.152 325 A CA -0.434 51.497 52.037 -0.175 0.000 0.783 325 A CB 0.447 19.329 19.000 -0.196 0.000 1.184 325 A HN 0.610 nan 8.150 nan 0.000 0.474 326 I N 1.841 122.359 120.570 -0.086 0.000 2.474 326 I HA 0.759 4.929 4.170 -0.000 0.000 0.294 326 I C 0.765 176.834 176.117 -0.081 0.000 1.005 326 I CA 0.256 61.514 61.300 -0.070 0.000 1.113 326 I CB 0.601 38.564 38.000 -0.062 0.000 1.289 326 I HN 1.228 nan 8.210 nan 0.000 0.436 327 G N 7.261 116.013 108.800 -0.081 0.000 2.710 327 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.668 327 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.668 327 G C -3.154 171.670 174.900 -0.127 0.000 1.320 327 G CA -0.979 44.053 45.100 -0.114 0.000 0.860 327 G HN 0.484 nan 8.290 nan 0.000 0.538 328 P HA 0.554 nan 4.420 nan 0.000 0.276 328 P C 0.226 177.372 177.300 -0.256 0.000 1.261 328 P CA -0.015 62.887 63.100 -0.330 0.000 0.800 328 P CB 0.091 31.493 31.700 -0.497 0.000 1.066 329 F N -2.897 117.027 119.950 -0.044 0.000 3.074 329 F HA -0.189 4.338 4.527 0.000 0.000 0.287 329 F C 0.273 176.041 175.800 -0.054 0.000 0.932 329 F CA 0.592 58.569 58.000 -0.039 0.000 0.995 329 F CB -2.874 36.014 39.000 -0.186 0.000 0.966 329 F HN 0.032 nan 8.300 nan 0.000 0.721 330 S N -0.432 115.312 115.700 0.074 0.000 2.565 330 S HA 0.748 5.218 4.470 -0.000 0.000 0.290 330 S C 0.124 174.772 174.600 0.081 0.000 1.150 330 S CA -0.834 57.401 58.200 0.059 0.000 1.058 330 S CB 2.163 65.365 63.200 0.002 0.000 1.032 330 S HN 0.363 nan 8.310 nan 0.000 0.510 331 R N 2.702 123.256 120.500 0.091 0.000 2.388 331 R HA 0.475 4.815 4.340 -0.000 0.000 0.314 331 R C -1.612 174.729 176.300 0.069 0.000 0.959 331 R CA -0.253 55.900 56.100 0.088 0.000 0.851 331 R CB 0.164 30.531 30.300 0.112 0.000 1.168 331 R HN 0.589 nan 8.270 nan 0.000 0.472 332 L N 5.576 126.828 121.223 0.048 0.000 2.276 332 L HA 0.563 4.903 4.340 -0.000 0.000 0.286 332 L C 0.339 177.232 176.870 0.040 0.000 1.024 332 L CA -0.699 54.162 54.840 0.036 0.000 0.826 332 L CB 1.440 43.509 42.059 0.017 0.000 1.211 332 L HN 0.557 nan 8.230 nan 0.000 0.422 333 R N 3.075 123.603 120.500 0.048 0.000 2.596 333 R HA 0.463 4.803 4.340 -0.000 0.000 0.267 333 R C -2.399 173.921 176.300 0.032 0.000 1.026 333 R CA -1.929 54.200 56.100 0.047 0.000 1.087 333 R CB 0.711 31.053 30.300 0.070 0.000 1.132 333 R HN 0.276 nan 8.270 nan 0.000 0.531 334 P HA -0.079 nan 4.420 nan 0.000 0.263 334 P C 0.334 177.643 177.300 0.015 0.000 1.175 334 P CA 1.211 64.321 63.100 0.017 0.000 0.761 334 P CB 0.394 32.103 31.700 0.015 0.000 0.794 335 G N 1.588 110.393 108.800 0.009 0.000 2.157 335 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.248 335 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.248 335 G C 0.320 175.220 174.900 0.000 0.000 0.979 335 G CA -0.085 45.017 45.100 0.004 0.000 0.650 335 G HN 0.838 nan 8.290 nan 0.000 0.529 336 A N 0.333 123.155 122.820 0.002 0.000 2.354 336 A HA 0.643 4.963 4.320 -0.000 0.000 0.281 336 A C 0.264 177.844 177.584 -0.006 0.000 1.174 336 A CA 0.096 52.131 52.037 -0.003 0.000 0.828 336 A CB 0.302 19.303 19.000 0.001 0.000 1.099 336 A HN 0.451 nan 8.150 nan 0.000 0.516 337 E N 2.544 122.738 120.200 -0.010 0.000 2.155 337 E HA 0.461 4.811 4.350 -0.000 0.000 0.264 337 E C -1.336 175.257 176.600 -0.013 0.000 0.886 337 E CA -0.301 56.093 56.400 -0.010 0.000 0.752 337 E CB 1.742 31.437 29.700 -0.008 0.000 1.133 337 E HN 0.631 nan 8.360 nan 0.000 0.414 338 L N 2.620 123.834 121.223 -0.015 0.000 2.287 338 L HA 0.579 4.919 4.340 -0.000 0.000 0.287 338 L C 0.388 177.247 176.870 -0.019 0.000 1.022 338 L CA -0.833 53.996 54.840 -0.019 0.000 0.814 338 L CB 1.380 43.424 42.059 -0.025 0.000 1.217 338 L HN 0.547 nan 8.230 nan 0.000 0.420 339 A N 2.745 125.556 122.820 -0.015 0.000 2.310 339 A HA 0.688 5.008 4.320 -0.000 0.000 0.260 339 A C 0.612 178.182 177.584 -0.022 0.000 1.112 339 A CA 0.019 52.047 52.037 -0.014 0.000 0.804 339 A CB 0.340 19.336 19.000 -0.007 0.000 1.081 339 A HN 0.824 nan 8.150 nan 0.000 0.499 340 A N -0.681 122.127 122.820 -0.020 0.000 2.555 340 A HA 0.375 4.695 4.320 -0.000 0.000 0.233 340 A C 0.680 178.243 177.584 -0.035 0.000 1.060 340 A CA 0.895 52.914 52.037 -0.029 0.000 0.759 340 A CB -0.671 18.318 19.000 -0.019 0.000 0.995 340 A HN 1.170 nan 8.150 nan 0.000 0.506 341 E N -1.090 119.071 120.200 -0.066 0.000 2.883 341 E HA -0.210 4.140 4.350 -0.000 0.000 0.271 341 E C 0.303 176.836 176.600 -0.112 0.000 1.049 341 E CA 0.934 57.280 56.400 -0.091 0.000 0.817 341 E CB -2.278 27.412 29.700 -0.016 0.000 1.407 341 E HN 1.063 nan 8.360 nan 0.000 0.434 342 T N -1.649 112.837 114.554 -0.115 0.000 2.899 342 T HA 0.373 4.723 4.350 -0.000 0.000 0.284 342 T C 0.001 174.587 174.700 -0.190 0.000 1.004 342 T CA -0.581 61.494 62.100 -0.042 0.000 1.043 342 T CB 1.243 70.101 68.868 -0.016 0.000 1.013 342 T HN 0.176 nan 8.240 nan 0.000 0.518 343 H N 0.137 119.184 119.070 -0.039 0.000 2.547 343 H HA 0.547 5.103 4.556 0.000 0.000 0.342 343 H C -1.186 174.103 175.328 -0.064 0.000 1.048 343 H CA -0.771 55.246 56.048 -0.053 0.000 1.204 343 H CB 1.920 31.647 29.762 -0.058 0.000 1.493 343 H HN 0.375 nan 8.280 nan 0.000 0.511 344 V N 3.192 123.118 119.914 0.020 0.000 2.407 344 V HA 0.394 4.514 4.120 -0.000 0.000 0.291 344 V C 0.600 176.669 176.094 -0.040 0.000 1.018 344 V CA -0.544 61.748 62.300 -0.014 0.000 0.842 344 V CB 1.499 33.311 31.823 -0.018 0.000 0.996 344 V HN 0.973 nan 8.190 nan 0.000 0.426 345 G N 3.686 112.443 108.800 -0.072 0.000 2.702 345 G HA2 0.322 4.282 3.960 -0.000 0.000 0.254 345 G HA3 0.322 4.282 3.960 -0.000 0.000 0.254 345 G C -0.124 174.706 174.900 -0.117 0.000 1.380 345 G CA -0.974 44.058 45.100 -0.113 0.000 1.042 345 G HN 0.804 nan 8.290 nan 0.000 0.557 346 N N -1.195 117.389 118.700 -0.194 0.000 2.492 346 N HA 0.151 4.891 4.740 -0.000 0.000 0.262 346 N C -0.896 174.405 175.510 -0.349 0.000 1.202 346 N CA -0.226 52.544 53.050 -0.467 0.000 0.926 346 N CB 0.369 38.327 38.487 -0.882 0.000 1.078 346 N HN 0.370 nan 8.380 nan 0.000 0.454 347 F N -1.594 118.458 119.950 0.169 0.000 3.040 347 F HA -0.175 4.352 4.527 0.000 0.000 0.298 347 F C -0.941 174.920 175.800 0.101 0.000 0.948 347 F CA -0.286 57.778 58.000 0.106 0.000 1.022 347 F CB -2.220 36.812 39.000 0.053 0.000 1.023 347 F HN 0.270 nan 8.300 nan 0.000 0.742 348 V N 0.289 120.311 119.914 0.180 0.000 2.495 348 V HA 0.515 4.635 4.120 -0.000 0.000 0.298 348 V C 0.094 176.271 176.094 0.139 0.000 1.031 348 V CA -0.993 61.389 62.300 0.138 0.000 0.871 348 V CB 2.234 34.097 31.823 0.067 0.000 0.988 348 V HN 0.308 nan 8.190 nan 0.000 0.432 349 E N 4.997 125.299 120.200 0.171 0.000 2.176 349 E HA 0.629 4.979 4.350 -0.000 0.000 0.267 349 E C -1.543 175.150 176.600 0.155 0.000 0.893 349 E CA -0.576 55.943 56.400 0.199 0.000 0.761 349 E CB 1.585 31.459 29.700 0.291 0.000 1.133 349 E HN 0.651 nan 8.360 nan 0.000 0.409 350 I N 4.778 125.403 120.570 0.092 0.000 2.447 350 I HA 0.328 4.498 4.170 -0.000 0.000 0.287 350 I C -0.482 175.655 176.117 0.034 0.000 1.023 350 I CA -0.753 60.553 61.300 0.010 0.000 1.083 350 I CB 1.748 39.743 38.000 -0.009 0.000 1.245 350 I HN 0.347 nan 8.210 nan 0.000 0.434 351 K N 7.077 127.477 120.400 0.001 0.000 2.426 351 K HA 0.294 4.614 4.320 -0.000 0.000 0.254 351 K C -0.371 176.225 176.600 -0.007 0.000 0.936 351 K CA -0.738 55.575 56.287 0.043 0.000 0.801 351 K CB 1.607 34.201 32.500 0.156 0.000 1.139 351 K HN 0.529 nan 8.250 nan 0.000 0.424 352 K N 2.065 122.469 120.400 0.005 0.000 3.730 352 K HA -0.154 4.166 4.320 -0.000 0.000 0.276 352 K C -1.532 175.056 176.600 -0.021 0.000 0.904 352 K CA 0.742 57.027 56.287 -0.003 0.000 0.741 352 K CB -1.036 31.468 32.500 0.006 0.000 1.542 352 K HN 0.612 nan 8.250 nan 0.000 0.446 353 S N -0.066 115.618 115.700 -0.026 0.000 2.541 353 S HA 0.385 4.855 4.470 -0.000 0.000 0.271 353 S C -0.730 173.855 174.600 -0.026 0.000 1.133 353 S CA -0.504 57.674 58.200 -0.037 0.000 0.876 353 S CB 2.043 65.202 63.200 -0.068 0.000 1.105 353 S HN 0.406 nan 8.310 nan 0.000 0.470 354 T N -0.579 113.962 114.554 -0.022 0.000 2.794 354 T HA 0.744 5.094 4.350 -0.000 0.000 0.280 354 T C -0.689 174.000 174.700 -0.018 0.000 0.987 354 T CA -0.650 61.441 62.100 -0.016 0.000 0.993 354 T CB 0.807 69.669 68.868 -0.010 0.000 0.939 354 T HN 0.291 nan 8.240 nan 0.000 0.449 355 V N 3.246 123.150 119.914 -0.016 0.000 2.378 355 V HA 0.701 4.821 4.120 -0.000 0.000 0.288 355 V C 1.076 177.167 176.094 -0.006 0.000 1.016 355 V CA -0.806 61.486 62.300 -0.014 0.000 0.840 355 V CB 1.223 33.037 31.823 -0.016 0.000 0.994 355 V HN 1.224 nan 8.190 nan 0.000 0.431 356 G N 2.713 111.512 108.800 -0.002 0.000 2.599 356 G HA2 0.312 4.272 3.960 -0.000 0.000 0.264 356 G HA3 0.312 4.272 3.960 -0.000 0.000 0.264 356 G C -0.105 174.801 174.900 0.009 0.000 1.200 356 G CA -0.587 44.515 45.100 0.003 0.000 0.896 356 G HN 0.735 nan 8.290 nan 0.000 0.536 357 K N -0.215 120.191 120.400 0.010 0.000 2.530 357 K HA 0.192 4.512 4.320 -0.000 0.000 0.280 357 K C 1.420 178.038 176.600 0.031 0.000 1.004 357 K CA 1.208 57.504 56.287 0.014 0.000 1.071 357 K CB -0.213 32.294 32.500 0.011 0.000 0.876 357 K HN 1.173 nan 8.250 nan 0.000 0.487 358 G N 2.387 111.216 108.800 0.047 0.000 2.189 358 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.267 358 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.267 358 G C 0.062 175.025 174.900 0.105 0.000 0.975 358 G CA 0.528 45.682 45.100 0.091 0.000 0.644 358 G HN 0.617 nan 8.290 nan 0.000 0.537 359 S N 0.552 116.296 115.700 0.074 0.000 2.576 359 S HA 0.503 4.973 4.470 -0.000 0.000 0.276 359 S C 0.435 175.085 174.600 0.083 0.000 1.339 359 S CA 0.430 58.662 58.200 0.053 0.000 1.039 359 S CB 0.878 64.092 63.200 0.022 0.000 0.902 359 S HN 0.736 nan 8.310 nan 0.000 0.516 360 K N 0.320 120.736 120.400 0.027 0.000 2.376 360 K HA 0.617 4.937 4.320 -0.000 0.000 0.257 360 K C -1.614 174.968 176.600 -0.029 0.000 0.939 360 K CA -0.856 55.437 56.287 0.010 0.000 0.809 360 K CB 1.365 33.799 32.500 -0.110 0.000 1.121 360 K HN 0.257 nan 8.250 nan 0.000 0.425 361 V N 3.320 123.222 119.914 -0.020 0.000 2.266 361 V HA 0.130 4.250 4.120 -0.000 0.000 0.266 361 V C -0.251 175.798 176.094 -0.075 0.000 1.036 361 V CA -0.811 61.465 62.300 -0.039 0.000 0.828 361 V CB 0.349 32.159 31.823 -0.022 0.000 1.081 361 V HN 0.820 nan 8.190 nan 0.000 0.449 362 N N 1.872 120.467 118.700 -0.174 0.000 2.388 362 N HA 0.122 4.862 4.740 -0.000 0.000 0.176 362 N C 0.304 175.487 175.510 -0.544 0.000 1.062 362 N CA 0.561 53.356 53.050 -0.424 0.000 0.895 362 N CB 0.310 38.410 38.487 -0.646 0.000 1.018 362 N HN 0.822 nan 8.380 nan 0.000 0.456 363 H N -1.332 117.760 119.070 0.036 0.000 3.086 363 H HA 0.222 4.778 4.556 0.000 0.000 0.353 363 H C -0.153 175.239 175.328 0.106 0.000 1.134 363 H CA -0.885 55.212 56.048 0.081 0.000 1.248 363 H CB 1.510 31.328 29.762 0.093 0.000 1.878 363 H HN -0.233 nan 8.280 nan 0.000 0.527 364 L N 1.094 122.503 121.223 0.309 0.000 3.677 364 L HA -0.203 4.137 4.340 -0.000 0.000 0.464 364 L C -0.713 176.256 176.870 0.164 0.000 1.278 364 L CA 0.814 55.796 54.840 0.237 0.000 0.806 364 L CB -1.677 40.492 42.059 0.183 0.000 1.610 364 L HN 0.796 nan 8.230 nan 0.000 0.867 365 T N -1.140 113.512 114.554 0.164 0.000 2.912 365 T HA 0.538 4.888 4.350 -0.000 0.000 0.299 365 T C -1.246 173.561 174.700 0.178 0.000 1.052 365 T CA -0.617 61.563 62.100 0.133 0.000 0.996 365 T CB 2.124 71.043 68.868 0.085 0.000 1.070 365 T HN 0.112 nan 8.240 nan 0.000 0.465 366 Y N 2.625 122.944 120.300 0.031 0.000 2.328 366 Y HA 0.666 5.216 4.550 -0.000 0.000 0.336 366 Y C -1.427 174.481 175.900 0.013 0.000 0.960 366 Y CA -1.035 57.079 58.100 0.024 0.000 1.134 366 Y CB 0.976 39.447 38.460 0.018 0.000 1.166 366 Y HN 0.388 nan 8.280 nan 0.000 0.464 367 V N 6.495 126.055 119.914 -0.590 0.000 2.376 367 V HA 0.751 4.871 4.120 -0.000 0.000 0.287 367 V C 0.136 175.753 176.094 -0.795 0.000 1.015 367 V CA -0.321 61.625 62.300 -0.590 0.000 0.834 367 V CB 1.202 32.877 31.823 -0.247 0.000 1.001 367 V HN 1.003 nan 8.190 nan 0.000 0.428 368 G N 1.811 110.105 108.800 -0.842 0.000 2.524 368 G HA2 0.589 4.549 3.960 -0.000 0.000 0.310 368 G HA3 0.589 4.549 3.960 -0.000 0.000 0.310 368 G C -0.488 174.314 174.900 -0.163 0.000 1.279 368 G CA -0.497 44.355 45.100 -0.414 0.000 0.974 368 G HN 0.676 nan 8.290 nan 0.000 0.484 369 D N -0.152 120.208 120.400 -0.068 0.000 2.704 369 D HA -0.150 4.490 4.640 -0.000 0.000 0.232 369 D C 0.211 176.495 176.300 -0.028 0.000 1.183 369 D CA 1.586 55.571 54.000 -0.024 0.000 0.647 369 D CB -0.805 39.999 40.800 0.006 0.000 1.013 369 D HN 0.274 nan 8.370 nan 0.000 0.415 370 S N 0.005 115.675 115.700 -0.049 0.000 2.599 370 S HA 0.494 4.964 4.470 -0.000 0.000 0.287 370 S C -0.221 174.362 174.600 -0.030 0.000 1.105 370 S CA -0.897 57.277 58.200 -0.043 0.000 0.899 370 S CB 3.277 66.430 63.200 -0.078 0.000 1.100 370 S HN 0.308 nan 8.310 nan 0.000 0.482 371 E N 1.969 122.158 120.200 -0.018 0.000 2.220 371 E HA 0.515 4.865 4.350 -0.000 0.000 0.256 371 E C -1.565 175.027 176.600 -0.013 0.000 0.881 371 E CA -0.418 55.975 56.400 -0.013 0.000 0.766 371 E CB 0.639 30.338 29.700 -0.002 0.000 1.187 371 E HN 0.529 nan 8.360 nan 0.000 0.419 372 I N 3.898 124.458 120.570 -0.016 0.000 2.433 372 I HA 0.402 4.572 4.170 -0.000 0.000 0.292 372 I C 0.923 177.037 176.117 -0.006 0.000 1.001 372 I CA -0.774 60.518 61.300 -0.014 0.000 1.119 372 I CB 1.874 39.861 38.000 -0.023 0.000 1.289 372 I HN 0.634 nan 8.210 nan 0.000 0.438 373 G N 3.477 112.276 108.800 -0.000 0.000 2.489 373 G HA2 0.302 4.262 3.960 -0.000 0.000 0.271 373 G HA3 0.302 4.262 3.960 -0.000 0.000 0.271 373 G C -0.022 174.883 174.900 0.008 0.000 1.427 373 G CA -0.390 44.713 45.100 0.005 0.000 1.057 373 G HN 0.662 nan 8.290 nan 0.000 0.532 374 S N -0.882 114.826 115.700 0.012 0.000 2.601 374 S HA 0.226 4.696 4.470 -0.000 0.000 0.271 374 S C 0.496 175.110 174.600 0.023 0.000 1.305 374 S CA -0.112 58.098 58.200 0.017 0.000 1.022 374 S CB 1.053 64.263 63.200 0.017 0.000 0.940 374 S HN 0.666 nan 8.310 nan 0.000 0.525 375 N N -0.994 117.724 118.700 0.029 0.000 2.725 375 N HA -0.155 4.585 4.740 -0.000 0.000 0.249 375 N C -0.526 175.005 175.510 0.034 0.000 1.103 375 N CA 0.817 53.887 53.050 0.034 0.000 0.707 375 N CB -2.352 36.155 38.487 0.034 0.000 1.043 375 N HN 0.644 nan 8.380 nan 0.000 0.553 376 C N 0.891 120.205 119.300 0.023 0.000 2.534 376 C HA 0.314 4.774 4.460 -0.000 0.000 0.385 376 C C 1.220 176.205 174.990 -0.009 0.000 1.264 376 C CA -0.678 58.348 59.018 0.012 0.000 2.342 376 C CB 0.976 28.714 27.740 -0.004 0.000 2.564 376 C HN 0.337 nan 8.230 nan 0.000 0.603 377 N N 2.337 121.015 118.700 -0.037 0.000 2.564 377 N HA 0.359 5.099 4.740 -0.000 0.000 0.248 377 N C -1.119 174.244 175.510 -0.245 0.000 0.986 377 N CA -0.392 52.588 53.050 -0.116 0.000 0.921 377 N CB 0.270 38.721 38.487 -0.060 0.000 1.136 377 N HN 0.407 nan 8.380 nan 0.000 0.509 378 I N 2.385 122.857 120.570 -0.162 0.000 2.297 378 I HA 0.328 4.498 4.170 -0.000 0.000 0.291 378 I C 1.493 177.529 176.117 -0.135 0.000 1.033 378 I CA -0.725 60.483 61.300 -0.153 0.000 1.253 378 I CB 0.240 38.190 38.000 -0.083 0.000 1.396 378 I HN 0.397 nan 8.210 nan 0.000 0.476 379 G N 4.605 113.289 108.800 -0.192 0.000 2.667 379 G HA2 0.409 4.369 3.960 -0.000 0.000 0.250 379 G HA3 0.409 4.369 3.960 -0.000 0.000 0.250 379 G C 0.207 175.121 174.900 0.024 0.000 1.212 379 G CA -0.357 44.677 45.100 -0.109 0.000 0.874 379 G HN 0.802 nan 8.290 nan 0.000 0.561 380 A N -0.867 122.007 122.820 0.091 0.000 2.520 380 A HA 0.511 4.831 4.320 -0.000 0.000 0.235 380 A C 1.717 179.325 177.584 0.040 0.000 1.065 380 A CA 1.202 53.299 52.037 0.101 0.000 0.764 380 A CB -0.370 18.579 19.000 -0.084 0.000 1.002 380 A HN 2.618 nan 8.150 nan 0.000 0.502 381 G N 0.519 109.357 108.800 0.062 0.000 2.168 381 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.263 381 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.263 381 G C 0.299 175.220 174.900 0.035 0.000 0.977 381 G CA 0.263 45.388 45.100 0.042 0.000 0.659 381 G HN 1.376 nan 8.290 nan 0.000 0.533 382 V N 0.935 120.866 119.914 0.030 0.000 2.637 382 V HA 0.513 4.633 4.120 -0.000 0.000 0.296 382 V C 0.788 176.905 176.094 0.038 0.000 1.046 382 V CA 0.415 62.723 62.300 0.013 0.000 1.066 382 V CB 1.359 33.171 31.823 -0.018 0.000 0.968 382 V HN 0.320 nan 8.190 nan 0.000 0.483 383 I N 3.745 124.338 120.570 0.038 0.000 2.569 383 I HA 0.325 4.495 4.170 -0.000 0.000 0.290 383 I C 0.109 176.255 176.117 0.049 0.000 1.088 383 I CA -0.458 60.892 61.300 0.084 0.000 1.047 383 I CB 2.543 40.607 38.000 0.107 0.000 1.237 383 I HN 0.685 nan 8.210 nan 0.000 0.421 384 T N 2.740 117.314 114.554 0.033 0.000 2.780 384 T HA 0.587 4.937 4.350 -0.000 0.000 0.294 384 T C -0.086 174.673 174.700 0.099 0.000 0.949 384 T CA -0.567 61.533 62.100 -0.000 0.000 1.074 384 T CB 0.745 69.546 68.868 -0.111 0.000 0.910 384 T HN 0.771 nan 8.240 nan 0.000 0.501 385 C N 2.191 121.515 119.300 0.041 0.000 3.307 385 C HA 0.793 5.253 4.460 -0.000 0.000 0.350 385 C C -0.731 174.245 174.990 -0.024 0.000 1.549 385 C CA -1.109 57.932 59.018 0.038 0.000 1.396 385 C CB 1.042 28.785 27.740 0.006 0.000 1.970 385 C HN 0.929 nan 8.230 nan 0.000 0.441 386 N N -1.139 117.541 118.700 -0.034 0.000 2.380 386 N HA 0.483 5.223 4.740 -0.000 0.000 0.290 386 N C -1.640 173.812 175.510 -0.096 0.000 1.236 386 N CA -0.217 52.819 53.050 -0.024 0.000 0.780 386 N CB 1.557 40.092 38.487 0.081 0.000 1.438 386 N HN 0.762 nan 8.380 nan 0.000 0.491 387 Y N 0.112 120.477 120.300 0.109 0.000 2.357 387 Y HA -0.014 4.536 4.550 0.000 0.000 0.340 387 Y C 0.997 176.941 175.900 0.073 0.000 1.260 387 Y CA -0.095 58.054 58.100 0.083 0.000 1.425 387 Y CB 0.367 38.879 38.460 0.086 0.000 1.326 387 Y HN 0.450 nan 8.280 nan 0.000 0.580 388 D N 1.167 121.696 120.400 0.215 0.000 2.398 388 D HA 0.291 4.931 4.640 -0.000 0.000 0.250 388 D C 0.101 176.481 176.300 0.133 0.000 1.287 388 D CA 0.478 54.556 54.000 0.130 0.000 0.992 388 D CB -0.432 40.424 40.800 0.092 0.000 1.071 388 D HN 0.688 nan 8.370 nan 0.000 0.514 389 G N 1.292 110.171 108.800 0.131 0.000 3.085 389 G HA2 0.560 4.520 3.960 -0.000 0.000 0.264 389 G HA3 0.560 4.520 3.960 -0.000 0.000 0.264 389 G C 0.405 175.350 174.900 0.074 0.000 1.206 389 G CA 0.006 45.181 45.100 0.124 0.000 0.809 389 G HN 0.426 nan 8.290 nan 0.000 0.592 390 A N -0.486 122.378 122.820 0.072 0.000 1.838 390 A HA 0.326 4.646 4.320 -0.000 0.000 0.215 390 A C 1.088 178.632 177.584 -0.068 0.000 1.273 390 A CA 0.921 52.966 52.037 0.014 0.000 0.602 390 A CB -0.739 18.281 19.000 0.033 0.000 0.934 390 A HN 0.583 nan 8.150 nan 0.000 0.461 391 N N -1.458 117.125 118.700 -0.195 0.000 2.563 391 N HA 0.431 5.171 4.740 -0.000 0.000 0.288 391 N C -1.177 173.988 175.510 -0.574 0.000 1.246 391 N CA -0.709 52.127 53.050 -0.357 0.000 0.946 391 N CB 0.842 39.104 38.487 -0.376 0.000 1.213 391 N HN -0.023 nan 8.380 nan 0.000 0.578 392 K N 1.213 121.341 120.400 -0.453 0.000 2.267 392 K HA 0.304 4.624 4.320 -0.000 0.000 0.282 392 K C -1.249 175.127 176.600 -0.373 0.000 1.078 392 K CA 0.021 56.118 56.287 -0.316 0.000 0.903 392 K CB -0.088 32.336 32.500 -0.125 0.000 1.111 392 K HN 0.270 nan 8.250 nan 0.000 0.475 393 F N 1.459 121.438 119.950 0.049 0.000 2.362 393 F HA 0.403 4.930 4.527 0.000 0.000 0.311 393 F C 1.043 176.859 175.800 0.027 0.000 1.161 393 F CA -0.592 57.434 58.000 0.043 0.000 1.085 393 F CB 0.872 39.909 39.000 0.062 0.000 1.311 393 F HN 0.111 nan 8.300 nan 0.000 0.524 394 K N 0.028 120.578 120.400 0.251 0.000 2.118 394 K HA 0.492 4.812 4.320 -0.000 0.000 0.254 394 K C -1.029 175.623 176.600 0.086 0.000 0.961 394 K CA -0.771 55.588 56.287 0.120 0.000 0.876 394 K CB 1.727 34.283 32.500 0.093 0.000 1.077 394 K HN 0.505 nan 8.250 nan 0.000 0.440 395 T N 2.665 117.242 114.554 0.039 0.000 2.770 395 T HA 0.393 4.743 4.350 -0.000 0.000 0.283 395 T C -0.390 174.315 174.700 0.008 0.000 0.988 395 T CA -0.673 61.438 62.100 0.018 0.000 0.957 395 T CB 0.500 69.364 68.868 -0.006 0.000 0.930 395 T HN 0.240 nan 8.240 nan 0.000 0.443 396 I N 4.755 125.331 120.570 0.011 0.000 2.355 396 I HA 0.459 4.629 4.170 -0.000 0.000 0.288 396 I C -0.135 175.984 176.117 0.004 0.000 0.999 396 I CA -0.943 60.362 61.300 0.007 0.000 1.163 396 I CB 0.868 38.875 38.000 0.012 0.000 1.316 396 I HN 0.598 nan 8.210 nan 0.000 0.454 397 I N 4.941 125.511 120.570 -0.001 0.000 2.433 397 I HA 0.522 4.692 4.170 -0.000 0.000 0.292 397 I C 1.012 177.131 176.117 0.004 0.000 1.001 397 I CA -0.390 60.910 61.300 0.000 0.000 1.119 397 I CB 2.099 40.094 38.000 -0.008 0.000 1.289 397 I HN 0.629 nan 8.210 nan 0.000 0.438 398 G N 4.123 112.929 108.800 0.009 0.000 2.546 398 G HA2 0.188 4.148 3.960 -0.000 0.000 0.239 398 G HA3 0.188 4.148 3.960 -0.000 0.000 0.239 398 G C -0.502 174.407 174.900 0.014 0.000 1.476 398 G CA -0.355 44.752 45.100 0.012 0.000 1.064 398 G HN 0.521 nan 8.290 nan 0.000 0.561 399 D N 0.209 120.619 120.400 0.017 0.000 2.283 399 D HA 0.269 4.909 4.640 -0.000 0.000 0.248 399 D C -0.083 176.234 176.300 0.028 0.000 1.072 399 D CA -0.089 53.923 54.000 0.020 0.000 0.929 399 D CB 1.008 41.819 40.800 0.018 0.000 1.182 399 D HN 0.397 nan 8.370 nan 0.000 0.433 400 D N -0.404 120.016 120.400 0.033 0.000 2.837 400 D HA -0.145 4.495 4.640 -0.000 0.000 0.230 400 D C -0.500 175.840 176.300 0.066 0.000 1.152 400 D CA 0.448 54.476 54.000 0.047 0.000 0.736 400 D CB -1.139 39.685 40.800 0.040 0.000 1.084 400 D HN 0.062 nan 8.370 nan 0.000 0.429 401 V N 0.843 120.794 119.914 0.061 0.000 2.465 401 V HA 0.341 4.461 4.120 -0.000 0.000 0.279 401 V C 0.342 176.505 176.094 0.115 0.000 1.045 401 V CA -0.586 61.762 62.300 0.079 0.000 0.938 401 V CB 1.317 33.166 31.823 0.043 0.000 0.986 401 V HN 0.123 nan 8.190 nan 0.000 0.467 402 F N 5.451 125.405 119.950 0.006 0.000 2.385 402 F HA 0.586 5.113 4.527 -0.000 0.000 0.360 402 F C -0.143 175.663 175.800 0.010 0.000 1.122 402 F CA -0.387 57.617 58.000 0.008 0.000 1.090 402 F CB 1.142 40.147 39.000 0.007 0.000 1.150 402 F HN 0.251 nan 8.300 nan 0.000 0.472 403 V N 6.818 126.492 119.914 -0.400 0.000 2.313 403 V HA 0.429 4.549 4.120 -0.000 0.000 0.278 403 V C 0.743 176.574 176.094 -0.438 0.000 1.017 403 V CA -0.735 61.409 62.300 -0.260 0.000 0.823 403 V CB 0.733 32.463 31.823 -0.156 0.000 1.010 403 V HN 0.943 nan 8.190 nan 0.000 0.443 404 G N 3.230 111.920 108.800 -0.183 0.000 2.544 404 G HA2 0.266 4.226 3.960 -0.000 0.000 0.242 404 G HA3 0.266 4.226 3.960 -0.000 0.000 0.242 404 G C 0.355 175.219 174.900 -0.059 0.000 1.247 404 G CA -0.207 44.859 45.100 -0.057 0.000 0.840 404 G HN 0.664 nan 8.290 nan 0.000 0.578 405 S N -0.166 115.518 115.700 -0.027 0.000 2.571 405 S HA -0.011 4.459 4.470 -0.000 0.000 0.298 405 S C 0.905 175.503 174.600 -0.002 0.000 1.280 405 S CA 1.193 59.384 58.200 -0.015 0.000 1.052 405 S CB 0.204 63.404 63.200 -0.000 0.000 0.799 405 S HN 0.927 nan 8.310 nan 0.000 0.501 406 D N 0.636 121.035 120.400 -0.002 0.000 2.751 406 D HA -0.153 4.487 4.640 -0.000 0.000 0.233 406 D C -0.482 175.821 176.300 0.005 0.000 1.149 406 D CA 1.127 55.130 54.000 0.004 0.000 0.682 406 D CB -1.099 39.702 40.800 0.003 0.000 1.068 406 D HN 0.465 nan 8.370 nan 0.000 0.429 407 T N 1.069 115.623 114.554 -0.000 0.000 2.837 407 T HA 0.493 4.843 4.350 -0.000 0.000 0.285 407 T C 0.086 174.785 174.700 -0.001 0.000 0.984 407 T CA -0.587 61.514 62.100 0.000 0.000 1.049 407 T CB 1.392 70.257 68.868 -0.005 0.000 0.947 407 T HN 0.036 nan 8.240 nan 0.000 0.472 408 Q N 2.355 122.154 119.800 -0.002 0.000 2.290 408 Q HA 0.542 4.882 4.340 -0.000 0.000 0.259 408 Q C -0.835 175.155 176.000 -0.017 0.000 0.941 408 Q CA -0.285 55.514 55.803 -0.007 0.000 0.912 408 Q CB 1.321 30.051 28.738 -0.013 0.000 1.244 408 Q HN 0.522 nan 8.270 nan 0.000 0.441 409 L N 2.703 123.915 121.223 -0.020 0.000 2.262 409 L HA 0.455 4.795 4.340 -0.000 0.000 0.288 409 L C -0.798 176.045 176.870 -0.045 0.000 1.035 409 L CA -0.987 53.838 54.840 -0.025 0.000 0.820 409 L CB 1.003 43.049 42.059 -0.022 0.000 1.204 409 L HN 0.356 nan 8.230 nan 0.000 0.424 410 V N 3.204 123.075 119.914 -0.072 0.000 2.334 410 V HA 0.445 4.565 4.120 -0.000 0.000 0.267 410 V C 0.812 176.854 176.094 -0.088 0.000 1.040 410 V CA -0.572 61.629 62.300 -0.165 0.000 0.866 410 V CB 0.912 32.542 31.823 -0.322 0.000 1.019 410 V HN 0.836 nan 8.190 nan 0.000 0.468 411 A N 8.432 131.234 122.820 -0.030 0.000 2.386 411 A HA 0.643 4.963 4.320 -0.000 0.000 0.248 411 A C -2.097 175.594 177.584 0.179 0.000 1.082 411 A CA -1.223 50.863 52.037 0.082 0.000 0.789 411 A CB 0.016 19.095 19.000 0.132 0.000 1.025 411 A HN 0.650 nan 8.150 nan 0.000 0.490 412 P HA 0.378 nan 4.420 nan 0.000 0.281 412 P C -0.775 176.551 177.300 0.043 0.000 1.252 412 P CA 0.089 63.225 63.100 0.059 0.000 0.778 412 P CB 1.268 32.915 31.700 -0.089 0.000 0.895 413 V N 3.779 123.715 119.914 0.037 0.000 3.120 413 V HA 0.464 4.584 4.120 -0.000 0.000 0.303 413 V C -1.363 174.743 176.094 0.019 0.000 1.238 413 V CA -0.857 61.459 62.300 0.026 0.000 1.008 413 V CB 2.798 34.638 31.823 0.027 0.000 1.064 413 V HN 0.420 nan 8.190 nan 0.000 0.434 414 K N 3.462 123.871 120.400 0.015 0.000 2.345 414 K HA 0.785 5.105 4.320 -0.000 0.000 0.255 414 K C -1.608 175.000 176.600 0.013 0.000 0.934 414 K CA -0.625 55.669 56.287 0.012 0.000 0.801 414 K CB 2.368 34.874 32.500 0.010 0.000 1.137 414 K HN 0.453 nan 8.250 nan 0.000 0.424 415 V N 2.716 122.638 119.914 0.012 0.000 2.349 415 V HA 0.404 4.524 4.120 -0.000 0.000 0.284 415 V C -0.008 176.096 176.094 0.016 0.000 1.014 415 V CA -0.916 61.393 62.300 0.016 0.000 0.826 415 V CB 1.155 32.987 31.823 0.015 0.000 1.009 415 V HN 0.953 nan 8.190 nan 0.000 0.431 416 A N 4.569 127.400 122.820 0.017 0.000 2.327 416 A HA 0.466 4.786 4.320 -0.000 0.000 0.255 416 A C 0.540 178.136 177.584 0.021 0.000 1.099 416 A CA -0.437 51.610 52.037 0.017 0.000 0.801 416 A CB 0.041 19.050 19.000 0.015 0.000 1.062 416 A HN 0.792 nan 8.150 nan 0.000 0.496 417 N N 0.145 118.856 118.700 0.019 0.000 2.225 417 N HA 0.203 4.943 4.740 -0.000 0.000 0.257 417 N C 1.228 176.753 175.510 0.026 0.000 1.252 417 N CA 1.775 54.838 53.050 0.021 0.000 0.833 417 N CB 0.150 38.648 38.487 0.017 0.000 1.068 417 N HN 1.376 nan 8.380 nan 0.000 0.468 418 G N -0.404 108.416 108.800 0.033 0.000 2.168 418 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.263 418 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.263 418 G C 0.345 175.271 174.900 0.044 0.000 0.977 418 G CA 0.499 45.621 45.100 0.037 0.000 0.659 418 G HN 0.963 nan 8.290 nan 0.000 0.533 419 A N -0.247 122.602 122.820 0.048 0.000 2.445 419 A HA 0.659 4.979 4.320 -0.000 0.000 0.242 419 A C 0.622 178.261 177.584 0.091 0.000 1.075 419 A CA 1.273 53.343 52.037 0.055 0.000 0.777 419 A CB 0.462 19.490 19.000 0.046 0.000 1.013 419 A HN 0.858 nan 8.150 nan 0.000 0.493 420 T N 2.147 116.755 114.554 0.091 0.000 2.812 420 T HA 0.574 4.924 4.350 -0.000 0.000 0.282 420 T C -0.483 174.303 174.700 0.144 0.000 0.990 420 T CA 0.046 62.232 62.100 0.144 0.000 0.960 420 T CB 0.648 69.548 68.868 0.054 0.000 0.948 420 T HN 0.431 nan 8.240 nan 0.000 0.438 421 I N 2.403 123.107 120.570 0.224 0.000 2.410 421 I HA 0.468 4.638 4.170 -0.000 0.000 0.286 421 I C 1.007 177.247 176.117 0.205 0.000 1.009 421 I CA -0.842 60.550 61.300 0.154 0.000 1.111 421 I CB 1.658 39.713 38.000 0.091 0.000 1.262 421 I HN 0.736 nan 8.210 nan 0.000 0.443 422 G N 4.165 113.049 108.800 0.139 0.000 2.594 422 G HA2 0.472 4.432 3.960 -0.000 0.000 0.243 422 G HA3 0.472 4.432 3.960 -0.000 0.000 0.243 422 G C 0.228 175.197 174.900 0.115 0.000 1.229 422 G CA -0.377 44.805 45.100 0.137 0.000 0.843 422 G HN 0.800 nan 8.290 nan 0.000 0.578 423 A N -0.233 122.658 122.820 0.118 0.000 2.561 423 A HA 0.510 4.830 4.320 -0.000 0.000 0.234 423 A C 1.628 179.240 177.584 0.047 0.000 1.055 423 A CA 1.204 53.287 52.037 0.077 0.000 0.756 423 A CB -0.340 18.705 19.000 0.074 0.000 0.986 423 A HN 2.654 nan 8.150 nan 0.000 0.505 424 G N 1.784 110.602 108.800 0.030 0.000 2.147 424 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.244 424 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.244 424 G C 0.299 175.210 174.900 0.018 0.000 1.005 424 G CA 0.465 45.577 45.100 0.019 0.000 0.713 424 G HN 1.164 nan 8.290 nan 0.000 0.515 425 T N 0.781 115.348 114.554 0.022 0.000 2.928 425 T HA 0.615 4.965 4.350 -0.000 0.000 0.284 425 T C 0.269 174.977 174.700 0.013 0.000 1.008 425 T CA 0.331 62.444 62.100 0.021 0.000 1.057 425 T CB 1.492 70.378 68.868 0.031 0.000 1.018 425 T HN 0.168 nan 8.240 nan 0.000 0.493 426 T N 3.774 118.336 114.554 0.013 0.000 2.842 426 T HA 0.404 4.754 4.350 -0.000 0.000 0.308 426 T C -0.237 174.469 174.700 0.011 0.000 1.041 426 T CA -0.556 61.548 62.100 0.006 0.000 0.964 426 T CB 0.133 69.005 68.868 0.006 0.000 0.972 426 T HN 0.297 nan 8.240 nan 0.000 0.460 427 I N 4.829 125.402 120.570 0.005 0.000 2.297 427 I HA 0.234 4.404 4.170 -0.000 0.000 0.291 427 I C 1.568 177.693 176.117 0.013 0.000 1.033 427 I CA -0.135 61.173 61.300 0.013 0.000 1.253 427 I CB 0.781 38.788 38.000 0.011 0.000 1.396 427 I HN 0.746 nan 8.210 nan 0.000 0.476 428 T N 3.419 117.995 114.554 0.037 0.000 2.964 428 T HA 0.269 4.619 4.350 -0.000 0.000 0.249 428 T C 0.961 175.706 174.700 0.076 0.000 1.000 428 T CA -0.184 61.961 62.100 0.075 0.000 0.992 428 T CB 0.483 69.429 68.868 0.130 0.000 1.087 428 T HN 0.365 nan 8.240 nan 0.000 0.489 429 R N 1.885 122.415 120.500 0.050 0.000 2.486 429 R HA 0.469 4.809 4.340 -0.000 0.000 0.286 429 R C -1.034 175.282 176.300 0.027 0.000 0.999 429 R CA -0.877 55.245 56.100 0.036 0.000 0.993 429 R CB 0.596 30.913 30.300 0.027 0.000 1.084 429 R HN 0.209 nan 8.270 nan 0.000 0.487 430 D N 1.179 121.591 120.400 0.020 0.000 2.506 430 D HA 0.007 4.647 4.640 -0.000 0.000 0.234 430 D C -0.452 175.858 176.300 0.017 0.000 1.143 430 D CA 0.461 54.470 54.000 0.016 0.000 0.871 430 D CB 0.738 41.544 40.800 0.010 0.000 1.190 430 D HN 0.021 nan 8.370 nan 0.000 0.459 431 V N 2.270 122.195 119.914 0.017 0.000 2.370 431 V HA 0.511 4.631 4.120 -0.000 0.000 0.283 431 V C 1.101 177.206 176.094 0.018 0.000 1.023 431 V CA -0.791 61.520 62.300 0.020 0.000 0.857 431 V CB 1.471 33.309 31.823 0.024 0.000 0.985 431 V HN 0.576 nan 8.190 nan 0.000 0.443 432 G N 2.897 111.707 108.800 0.016 0.000 2.616 432 G HA2 0.361 4.321 3.960 -0.000 0.000 0.268 432 G HA3 0.361 4.321 3.960 -0.000 0.000 0.268 432 G C -0.139 174.771 174.900 0.016 0.000 1.213 432 G CA -0.421 44.688 45.100 0.014 0.000 0.926 432 G HN 0.807 nan 8.290 nan 0.000 0.523 433 E N 0.250 120.458 120.200 0.014 0.000 2.376 433 E HA 0.003 4.353 4.350 -0.000 0.000 0.266 433 E C 0.139 176.747 176.600 0.015 0.000 1.009 433 E CA -0.179 56.230 56.400 0.015 0.000 0.902 433 E CB 0.063 29.770 29.700 0.012 0.000 0.972 433 E HN 0.469 nan 8.360 nan 0.000 0.439 434 N N 2.530 121.240 118.700 0.018 0.000 2.714 434 N HA -0.244 4.496 4.740 -0.000 0.000 0.250 434 N C -0.935 174.584 175.510 0.015 0.000 1.117 434 N CA 1.274 54.333 53.050 0.016 0.000 0.719 434 N CB -1.083 37.410 38.487 0.010 0.000 1.081 434 N HN 0.726 nan 8.380 nan 0.000 0.557 435 E N 0.599 120.810 120.200 0.019 0.000 2.227 435 E HA 0.329 4.679 4.350 -0.000 0.000 0.282 435 E C -0.551 176.064 176.600 0.025 0.000 1.015 435 E CA -0.735 55.676 56.400 0.019 0.000 0.823 435 E CB 0.722 30.434 29.700 0.019 0.000 1.081 435 E HN 0.181 nan 8.360 nan 0.000 0.396 436 L N 5.756 126.991 121.223 0.019 0.000 2.272 436 L HA 0.339 4.679 4.340 -0.000 0.000 0.289 436 L C -1.481 175.405 176.870 0.026 0.000 1.032 436 L CA -0.557 54.296 54.840 0.022 0.000 0.810 436 L CB 1.444 43.508 42.059 0.007 0.000 1.205 436 L HN 0.312 nan 8.230 nan 0.000 0.422 437 V N 7.278 127.215 119.914 0.038 0.000 2.334 437 V HA 0.482 4.602 4.120 -0.000 0.000 0.281 437 V C 0.143 176.261 176.094 0.040 0.000 1.016 437 V CA -0.345 61.976 62.300 0.036 0.000 0.832 437 V CB 1.139 32.985 31.823 0.038 0.000 0.999 437 V HN 0.644 nan 8.190 nan 0.000 0.439 438 I N 3.357 123.945 120.570 0.030 0.000 2.474 438 I HA 0.413 4.583 4.170 -0.000 0.000 0.294 438 I C 0.345 176.478 176.117 0.026 0.000 1.005 438 I CA -0.359 60.959 61.300 0.030 0.000 1.113 438 I CB 2.441 40.454 38.000 0.022 0.000 1.289 438 I HN 0.470 nan 8.210 nan 0.000 0.436 439 T N 5.428 119.999 114.554 0.028 0.000 2.832 439 T HA 0.310 4.660 4.350 -0.000 0.000 0.296 439 T C 0.147 174.859 174.700 0.020 0.000 0.968 439 T CA -0.488 61.626 62.100 0.023 0.000 1.107 439 T CB 0.320 69.201 68.868 0.022 0.000 0.916 439 T HN 0.402 nan 8.240 nan 0.000 0.517 440 R N 2.224 122.734 120.500 0.017 0.000 2.210 440 R HA 0.407 4.747 4.340 -0.000 0.000 0.338 440 R C 0.179 176.489 176.300 0.016 0.000 1.062 440 R CA -0.545 55.564 56.100 0.016 0.000 0.902 440 R CB 0.462 30.770 30.300 0.013 0.000 1.050 440 R HN 0.564 nan 8.270 nan 0.000 0.461 441 V N 0.372 120.297 119.914 0.018 0.000 2.644 441 V HA 0.783 4.903 4.120 -0.000 0.000 0.295 441 V C 0.154 176.260 176.094 0.020 0.000 1.053 441 V CA -1.013 61.297 62.300 0.017 0.000 0.987 441 V CB 1.623 33.456 31.823 0.017 0.000 1.006 441 V HN 0.741 nan 8.190 nan 0.000 0.472 442 A N 4.048 126.875 122.820 0.013 0.000 2.303 442 A HA 0.793 5.113 4.320 -0.000 0.000 0.320 442 A C -0.339 177.249 177.584 0.006 0.000 1.192 442 A CA -0.689 51.357 52.037 0.015 0.000 0.821 442 A CB 1.015 20.019 19.000 0.007 0.000 1.188 442 A HN 0.959 nan 8.150 nan 0.000 0.492 443 Q N 1.322 121.138 119.800 0.027 0.000 2.359 443 Q HA 0.429 4.769 4.340 -0.000 0.000 0.274 443 Q C -0.947 175.059 176.000 0.010 0.000 1.074 443 Q CA -0.690 55.100 55.803 -0.022 0.000 0.810 443 Q CB 2.936 31.649 28.738 -0.042 0.000 1.342 443 Q HN 0.765 nan 8.270 nan 0.000 0.427 444 R N 1.470 121.920 120.500 -0.083 0.000 2.349 444 R HA 0.364 4.704 4.340 -0.000 0.000 0.299 444 R C -0.648 175.551 176.300 -0.169 0.000 1.027 444 R CA -0.398 55.672 56.100 -0.050 0.000 0.958 444 R CB 0.867 31.119 30.300 -0.079 0.000 1.047 444 R HN 0.536 nan 8.270 nan 0.000 0.468 445 H N 3.788 122.835 119.070 -0.039 0.000 2.539 445 H HA 0.334 4.890 4.556 -0.000 0.000 0.332 445 H C -0.379 174.933 175.328 -0.027 0.000 1.031 445 H CA -0.584 55.444 56.048 -0.032 0.000 1.206 445 H CB 1.706 31.459 29.762 -0.014 0.000 1.446 445 H HN 0.316 nan 8.280 nan 0.000 0.496 446 I N 4.074 124.668 120.570 0.041 0.000 2.382 446 I HA 0.074 4.244 4.170 -0.000 0.000 0.286 446 I C -0.193 175.987 176.117 0.105 0.000 1.002 446 I CA -0.797 60.527 61.300 0.040 0.000 1.135 446 I CB 1.478 39.444 38.000 -0.056 0.000 1.288 446 I HN 0.335 nan 8.210 nan 0.000 0.448 447 Q N 3.939 123.807 119.800 0.113 0.000 2.260 447 Q HA 0.364 4.704 4.340 -0.000 0.000 0.242 447 Q C 1.009 177.095 176.000 0.143 0.000 0.932 447 Q CA -0.053 55.820 55.803 0.117 0.000 0.891 447 Q CB 1.367 30.154 28.738 0.082 0.000 1.222 447 Q HN 0.943 nan 8.270 nan 0.000 0.453 448 G N 1.104 109.983 108.800 0.131 0.000 2.198 448 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.260 448 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.260 448 G C -0.423 174.568 174.900 0.152 0.000 1.025 448 G CA 0.091 45.257 45.100 0.109 0.000 0.769 448 G HN 0.648 nan 8.290 nan 0.000 0.507 449 W N 1.158 122.464 121.300 0.009 0.000 2.485 449 W HA 0.593 5.253 4.660 -0.000 0.000 0.315 449 W C 0.162 176.683 176.519 0.003 0.000 1.304 449 W CA -0.559 56.789 57.345 0.005 0.000 1.345 449 W CB 0.728 30.189 29.460 0.003 0.000 1.368 449 W HN 0.277 nan 8.180 nan 0.000 0.497 450 Q N 5.851 125.374 119.800 -0.461 0.000 2.278 450 Q HA 0.272 4.612 4.340 -0.000 0.000 0.257 450 Q C -0.146 175.571 176.000 -0.472 0.000 0.928 450 Q CA -0.258 55.343 55.803 -0.337 0.000 0.932 450 Q CB 0.883 29.481 28.738 -0.235 0.000 1.221 450 Q HN 0.433 nan 8.270 nan 0.000 0.434 451 R N 4.289 124.657 120.500 -0.220 0.000 2.582 451 R HA 0.306 4.646 4.340 -0.000 0.000 0.271 451 R C -2.032 174.192 176.300 -0.128 0.000 1.078 451 R CA -1.728 54.290 56.100 -0.137 0.000 1.127 451 R CB -0.287 30.008 30.300 -0.009 0.000 1.038 451 R HN 0.603 nan 8.270 nan 0.000 0.500 452 P HA -0.096 nan 4.420 nan 0.000 0.259 452 P C -0.430 176.838 177.300 -0.053 0.000 1.155 452 P CA 0.878 63.935 63.100 -0.072 0.000 0.759 452 P CB 0.201 31.878 31.700 -0.039 0.000 0.753 453 I N 2.059 122.596 120.570 -0.055 0.000 2.243 453 I HA 0.463 4.633 4.170 -0.000 0.000 0.289 453 I C 0.949 177.048 176.117 -0.029 0.000 1.140 453 I CA 0.201 61.477 61.300 -0.040 0.000 1.289 453 I CB -0.650 37.324 38.000 -0.044 0.000 1.498 453 I HN 0.333 nan 8.210 nan 0.000 0.561 454 K N 0.000 120.386 120.400 -0.023 0.000 2.780 454 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 454 K CA 0.000 nan 56.287 nan 0.000 0.838 454 K CB 0.000 nan 32.500 nan 0.000 1.064 454 K HN 0.000 nan 8.250 nan 0.000 0.543