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 3bn1_1_D DATA FIRST_RESID 8 DATA SEQUENCE SVAAPRLDGN ERDYVLECMD TTWISSVGRF IVEFEKAFAD YCGVKHAIAC DATA SEQUENCE NNGTTALHLA LVAMGIGPGD EVIVPSLTYI ASANSVTYCG ATPVLVDNDP DATA SEQUENCE RTFNLDAAKL EALITPRTKA IMPVHLYGQI CDMDPILEVA RRHNLLVIED DATA SEQUENCE AAEAVGATYR GKKSGSLGDC ATFSFFGNXI ITTGEGGMIT TNDDDLAAKM DATA SEQUENCE RLLRGQGMDP NRRYWFPIVG FNYRMTNIQA AIGLAQLERV DEHLAARERV DATA SEQUENCE VGWYEQKLAR LGNRVTKPHV ALTGRHVFWM YTVRLGEGLS TTRDQVIKDL DATA SEQUENCE DALGIESRPV FHPMHIMPPY AHLATDDLKI AEACGVDGLN LPTHAGLTEA DATA SEQUENCE DIDRVIAALD QVLV 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 8 S HA 0.000 nan 4.470 nan 0.000 0.327 8 S C 0.000 174.607 174.600 0.011 0.000 1.055 8 S CA 0.000 58.207 58.200 0.012 0.000 1.107 8 S CB 0.000 63.188 63.200 -0.021 0.000 0.593 9 V N 2.966 122.870 119.914 -0.016 0.000 2.287 9 V HA 0.066 4.186 4.120 -0.000 0.000 0.248 9 V C 1.237 177.296 176.094 -0.058 0.000 1.053 9 V CA 2.448 64.734 62.300 -0.023 0.000 1.027 9 V CB -0.371 31.406 31.823 -0.076 0.000 0.646 9 V HN 0.967 nan 8.190 nan 0.000 0.447 10 A N -2.016 120.713 122.820 -0.151 0.000 2.556 10 A HA 0.896 5.216 4.320 -0.000 0.000 0.294 10 A C -0.860 176.525 177.584 -0.331 0.000 1.091 10 A CA 0.042 51.966 52.037 -0.189 0.000 0.704 10 A CB 1.985 20.993 19.000 0.014 0.000 1.300 10 A HN 1.074 nan 8.150 nan 0.000 0.406 11 A N 1.937 124.557 122.820 -0.333 0.000 2.495 11 A HA 0.644 4.964 4.320 -0.000 0.000 0.297 11 A C -2.970 174.538 177.584 -0.126 0.000 1.036 11 A CA -0.826 51.056 52.037 -0.258 0.000 0.982 11 A CB -0.010 18.771 19.000 -0.365 0.000 1.476 11 A HN 0.873 nan 8.150 nan 0.000 0.393 12 P HA 0.053 nan 4.420 nan 0.000 0.267 12 P C -0.595 176.656 177.300 -0.083 0.000 1.175 12 P CA 0.439 63.487 63.100 -0.088 0.000 0.763 12 P CB 0.410 32.056 31.700 -0.090 0.000 0.795 13 R N 2.267 122.689 120.500 -0.130 0.000 2.472 13 R HA 0.326 4.666 4.340 -0.000 0.000 0.294 13 R C -0.071 176.171 176.300 -0.097 0.000 1.243 13 R CA -0.534 55.501 56.100 -0.110 0.000 1.023 13 R CB 0.623 30.815 30.300 -0.179 0.000 1.157 13 R HN 0.448 nan 8.270 nan 0.000 0.530 14 L N 3.218 124.408 121.223 -0.055 0.000 3.035 14 L HA 0.121 4.461 4.340 -0.000 0.000 0.232 14 L C 0.701 177.553 176.870 -0.030 0.000 1.341 14 L CA -0.190 54.619 54.840 -0.051 0.000 1.177 14 L CB -0.191 41.827 42.059 -0.068 0.000 1.555 14 L HN 0.527 nan 8.230 nan 0.000 0.473 15 D N -0.725 119.686 120.400 0.018 0.000 2.363 15 D HA -0.039 4.601 4.640 -0.000 0.000 0.220 15 D C 1.206 177.499 176.300 -0.012 0.000 0.994 15 D CA 0.459 54.473 54.000 0.023 0.000 0.890 15 D CB 0.265 41.111 40.800 0.076 0.000 0.906 15 D HN 0.273 nan 8.370 nan 0.000 0.530 16 G N 0.248 109.026 108.800 -0.036 0.000 3.182 16 G HA2 0.012 3.972 3.960 -0.000 0.000 0.167 16 G HA3 0.012 3.972 3.960 -0.000 0.000 0.167 16 G C 0.778 175.557 174.900 -0.202 0.000 1.537 16 G CA -0.491 44.547 45.100 -0.104 0.000 1.046 16 G HN 0.058 nan 8.290 nan 0.000 0.580 17 N N 0.560 119.041 118.700 -0.364 0.000 2.370 17 N HA 0.046 4.786 4.740 -0.000 0.000 0.198 17 N C 1.589 176.706 175.510 -0.655 0.000 1.156 17 N CA 0.164 52.814 53.050 -0.666 0.000 0.839 17 N CB 0.591 38.329 38.487 -1.248 0.000 0.989 17 N HN 0.428 nan 8.380 nan 0.000 0.468 18 E N 1.328 121.316 120.200 -0.355 0.000 2.026 18 E HA -0.213 4.137 4.350 -0.000 0.000 0.206 18 E C 1.947 178.432 176.600 -0.192 0.000 1.028 18 E CA 1.343 57.599 56.400 -0.239 0.000 0.845 18 E CB -0.108 29.498 29.700 -0.155 0.000 0.772 18 E HN 0.267 nan 8.360 nan 0.000 0.462 19 R N 0.524 120.935 120.500 -0.149 0.000 2.083 19 R HA -0.199 4.141 4.340 -0.000 0.000 0.237 19 R C 1.629 177.889 176.300 -0.067 0.000 1.137 19 R CA 2.024 58.068 56.100 -0.092 0.000 0.951 19 R CB -0.199 30.060 30.300 -0.069 0.000 0.851 19 R HN 0.239 nan 8.270 nan 0.000 0.434 20 D N -0.562 119.785 120.400 -0.089 0.000 2.117 20 D HA -0.184 4.455 4.640 -0.000 0.000 0.198 20 D C 1.872 178.244 176.300 0.119 0.000 0.982 20 D CA 1.101 55.101 54.000 -0.000 0.000 0.828 20 D CB -0.341 40.450 40.800 -0.013 0.000 0.967 20 D HN 0.273 nan 8.370 nan 0.000 0.464 21 Y N 1.402 121.642 120.300 -0.100 0.000 2.165 21 Y HA -0.145 4.404 4.550 -0.001 0.000 0.286 21 Y C 2.685 178.404 175.900 -0.301 0.000 1.155 21 Y CA -0.084 57.867 58.100 -0.248 0.000 1.164 21 Y CB -1.056 37.072 38.460 -0.554 0.000 0.978 21 Y HN -0.158 nan 8.280 nan 0.000 0.513 22 V N -0.120 119.753 119.914 -0.067 0.000 2.343 22 V HA -0.281 3.839 4.120 -0.000 0.000 0.247 22 V C 2.522 178.624 176.094 0.013 0.000 1.051 22 V CA 1.365 63.624 62.300 -0.069 0.000 1.036 22 V CB -0.832 30.946 31.823 -0.075 0.000 0.654 22 V HN 0.325 nan 8.190 nan 0.000 0.451 23 L N -0.089 121.154 121.223 0.034 0.000 2.083 23 L HA -0.235 4.105 4.340 -0.000 0.000 0.209 23 L C 2.615 179.543 176.870 0.097 0.000 1.083 23 L CA 2.051 56.925 54.840 0.057 0.000 0.752 23 L CB -0.425 41.663 42.059 0.049 0.000 0.899 23 L HN 0.478 nan 8.230 nan 0.000 0.433 24 E N -0.506 119.778 120.200 0.141 0.000 2.077 24 E HA -0.251 4.098 4.350 -0.000 0.000 0.193 24 E C 2.326 179.054 176.600 0.213 0.000 0.989 24 E CA 1.798 58.313 56.400 0.192 0.000 0.800 24 E CB -0.051 29.828 29.700 0.299 0.000 0.746 24 E HN 0.545 nan 8.360 nan 0.000 0.452 25 C N 0.690 120.121 119.300 0.218 0.000 2.429 25 C HA -0.123 4.337 4.460 -0.000 0.000 0.277 25 C C 2.642 177.747 174.990 0.193 0.000 1.262 25 C CA 0.542 59.705 59.018 0.240 0.000 1.733 25 C CB -0.710 27.130 27.740 0.166 0.000 2.010 25 C HN 0.562 nan 8.230 nan 0.000 0.483 26 M N 0.872 120.548 119.600 0.127 0.000 2.067 26 M HA -0.095 4.385 4.480 -0.000 0.000 0.260 26 M C 1.766 178.129 176.300 0.105 0.000 1.069 26 M CA 1.728 57.085 55.300 0.095 0.000 1.117 26 M CB -1.661 30.977 32.600 0.063 0.000 1.334 26 M HN 0.312 nan 8.290 nan 0.000 0.407 27 D N 0.104 120.568 120.400 0.107 0.000 2.144 27 D HA -0.100 4.540 4.640 -0.000 0.000 0.199 27 D C 1.940 178.318 176.300 0.130 0.000 0.984 27 D CA 1.967 56.027 54.000 0.101 0.000 0.834 27 D CB -0.276 40.576 40.800 0.087 0.000 0.955 27 D HN 0.486 nan 8.370 nan 0.000 0.465 28 T N -2.965 111.700 114.554 0.186 0.000 3.100 28 T HA 0.002 4.352 4.350 -0.000 0.000 0.253 28 T C 1.285 176.219 174.700 0.390 0.000 1.118 28 T CA 1.257 63.521 62.100 0.273 0.000 1.058 28 T CB -0.109 68.920 68.868 0.270 0.000 0.953 28 T HN 0.184 nan 8.240 nan 0.000 0.515 29 T N -2.765 111.941 114.554 0.254 0.000 6.386 29 T HA -0.199 4.151 4.350 -0.000 0.000 0.278 29 T C -0.233 174.490 174.700 0.039 0.000 2.163 29 T CA 0.860 63.033 62.100 0.122 0.000 3.541 29 T CB -2.844 66.041 68.868 0.029 0.000 1.383 29 T HN 0.632 nan 8.240 nan 0.000 1.186 30 W N 2.354 123.689 121.300 0.059 0.000 1.606 30 W HA 0.621 5.279 4.660 -0.003 0.000 0.455 30 W C 1.677 178.244 176.519 0.080 0.000 0.711 30 W CA -0.757 56.629 57.345 0.068 0.000 1.876 30 W CB -0.626 28.877 29.460 0.072 0.000 1.776 30 W HN 0.665 nan 8.180 nan 0.000 0.229 31 I N -2.148 118.503 120.570 0.135 0.000 3.956 31 I HA 0.238 4.408 4.170 -0.000 0.000 0.333 31 I C 1.173 177.337 176.117 0.079 0.000 1.302 31 I CA 0.092 61.454 61.300 0.103 0.000 1.122 31 I CB 0.147 38.183 38.000 0.060 0.000 1.013 31 I HN -0.008 nan 8.210 nan 0.000 0.405 32 S N 1.064 116.800 115.700 0.062 0.000 2.521 32 S HA 0.322 4.792 4.470 -0.000 0.000 0.278 32 S C 1.122 175.784 174.600 0.103 0.000 1.140 32 S CA 0.110 58.342 58.200 0.054 0.000 1.028 32 S CB 0.863 64.061 63.200 -0.004 0.000 1.203 32 S HN 0.496 nan 8.310 nan 0.000 0.491 33 S N 0.464 116.219 115.700 0.092 0.000 2.685 33 S HA 0.404 4.874 4.470 -0.000 0.000 0.240 33 S C -0.235 174.448 174.600 0.139 0.000 0.967 33 S CA -0.474 57.798 58.200 0.119 0.000 1.009 33 S CB -0.353 62.913 63.200 0.108 0.000 0.776 33 S HN 0.474 nan 8.310 nan 0.000 0.467 34 V N -0.029 119.992 119.914 0.177 0.000 2.888 34 V HA 0.853 4.973 4.120 -0.000 0.000 0.309 34 V C -0.185 176.166 176.094 0.428 0.000 1.114 34 V CA 0.614 63.063 62.300 0.248 0.000 0.940 34 V CB 1.582 33.535 31.823 0.217 0.000 1.021 34 V HN 0.769 nan 8.190 nan 0.000 0.426 35 G N 4.813 113.826 108.800 0.354 0.000 2.350 35 G HA2 0.184 4.144 3.960 -0.000 0.000 0.305 35 G HA3 0.184 4.144 3.960 -0.000 0.000 0.305 35 G C -0.079 174.837 174.900 0.027 0.000 1.479 35 G CA -0.079 45.173 45.100 0.255 0.000 0.949 35 G HN 1.257 nan 8.290 nan 0.000 0.651 36 R N -0.705 119.673 120.500 -0.204 0.000 2.120 36 R HA 0.046 4.385 4.340 -0.000 0.000 0.234 36 R C 1.712 177.865 176.300 -0.244 0.000 1.123 36 R CA 2.187 58.111 56.100 -0.293 0.000 0.975 36 R CB -0.401 29.608 30.300 -0.485 0.000 0.866 36 R HN 0.346 nan 8.270 nan 0.000 0.446 37 F N 1.464 121.377 119.950 -0.061 0.000 2.234 37 F HA 0.017 4.543 4.527 -0.003 0.000 0.299 37 F C 2.151 177.987 175.800 0.061 0.000 1.087 37 F CA 0.828 58.796 58.000 -0.054 0.000 1.340 37 F CB -0.262 38.685 39.000 -0.089 0.000 1.031 37 F HN -0.080 nan 8.300 nan 0.000 0.500 38 I N -0.089 120.641 120.570 0.266 0.000 2.179 38 I HA -0.269 3.901 4.170 -0.000 0.000 0.242 38 I C 2.520 178.757 176.117 0.199 0.000 1.088 38 I CA 1.595 63.044 61.300 0.250 0.000 1.357 38 I CB -0.772 37.347 38.000 0.199 0.000 1.051 38 I HN 0.102 nan 8.210 nan 0.000 0.409 39 V N -1.319 118.667 119.914 0.121 0.000 2.427 39 V HA -0.200 3.920 4.120 -0.000 0.000 0.248 39 V C 2.062 178.209 176.094 0.088 0.000 1.051 39 V CA 1.616 63.965 62.300 0.082 0.000 1.048 39 V CB -0.802 31.042 31.823 0.035 0.000 0.666 39 V HN 0.410 nan 8.190 nan 0.000 0.456 40 E N -0.295 119.957 120.200 0.087 0.000 2.072 40 E HA -0.090 4.260 4.350 -0.000 0.000 0.191 40 E C 1.941 178.667 176.600 0.210 0.000 0.985 40 E CA 1.418 57.873 56.400 0.092 0.000 0.801 40 E CB -0.259 29.450 29.700 0.016 0.000 0.750 40 E HN 0.662 nan 8.360 nan 0.000 0.452 41 F N 2.323 122.315 119.950 0.070 0.000 2.102 41 F HA -0.140 4.392 4.527 0.009 0.000 0.298 41 F C 1.874 177.736 175.800 0.104 0.000 1.105 41 F CA 1.529 59.572 58.000 0.072 0.000 1.239 41 F CB -0.343 38.679 39.000 0.038 0.000 0.991 41 F HN -0.059 nan 8.300 nan 0.000 0.474 42 E N 0.142 120.351 120.200 0.016 0.000 2.058 42 E HA -0.266 4.083 4.350 -0.000 0.000 0.194 42 E C 2.324 178.945 176.600 0.035 0.000 0.997 42 E CA 1.528 57.889 56.400 -0.064 0.000 0.801 42 E CB -0.330 29.381 29.700 0.017 0.000 0.746 42 E HN 0.285 nan 8.360 nan 0.000 0.450 43 K N 0.891 121.332 120.400 0.068 0.000 2.057 43 K HA -0.155 4.165 4.320 -0.000 0.000 0.207 43 K C 2.095 178.741 176.600 0.075 0.000 1.049 43 K CA 1.365 57.691 56.287 0.065 0.000 0.931 43 K CB -0.134 32.398 32.500 0.053 0.000 0.714 43 K HN 0.088 nan 8.250 nan 0.000 0.440 44 A N 0.631 123.518 122.820 0.111 0.000 1.930 44 A HA -0.129 4.191 4.320 -0.000 0.000 0.217 44 A C 2.011 179.666 177.584 0.120 0.000 1.175 44 A CA 1.116 53.227 52.037 0.124 0.000 0.627 44 A CB -0.740 18.369 19.000 0.181 0.000 0.815 44 A HN 0.480 nan 8.150 nan 0.000 0.443 45 F N 0.807 120.723 119.950 -0.057 0.000 2.146 45 F HA -0.027 4.494 4.527 -0.010 0.000 0.298 45 F C 2.532 178.320 175.800 -0.020 0.000 1.096 45 F CA 1.107 59.044 58.000 -0.105 0.000 1.275 45 F CB -0.283 38.475 39.000 -0.404 0.000 1.008 45 F HN 0.248 nan 8.300 nan 0.000 0.480 46 A N -0.191 122.674 122.820 0.074 0.000 1.902 46 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 46 A C 2.005 179.564 177.584 -0.043 0.000 1.181 46 A CA 1.934 53.984 52.037 0.021 0.000 0.623 46 A CB -0.993 18.041 19.000 0.056 0.000 0.818 46 A HN 0.387 nan 8.150 nan 0.000 0.443 47 D N -1.496 118.897 120.400 -0.012 0.000 2.092 47 D HA -0.191 4.449 4.640 -0.000 0.000 0.193 47 D C 1.683 177.966 176.300 -0.027 0.000 0.994 47 D CA 1.673 55.666 54.000 -0.012 0.000 0.828 47 D CB -0.528 40.288 40.800 0.025 0.000 0.963 47 D HN 0.560 nan 8.370 nan 0.000 0.450 48 Y N 0.921 121.113 120.300 -0.180 0.000 2.151 48 Y HA -0.287 4.260 4.550 -0.005 0.000 0.284 48 Y C 2.323 178.069 175.900 -0.257 0.000 1.166 48 Y CA 1.344 59.302 58.100 -0.237 0.000 1.163 48 Y CB -0.323 37.933 38.460 -0.341 0.000 0.974 48 Y HN 0.041 nan 8.280 nan 0.000 0.511 49 C N -0.191 118.914 119.300 -0.325 0.000 2.539 49 C HA 0.329 4.789 4.460 -0.000 0.000 0.268 49 C C 1.760 176.653 174.990 -0.162 0.000 1.395 49 C CA 0.784 59.627 59.018 -0.292 0.000 1.757 49 C CB -1.132 26.475 27.740 -0.222 0.000 1.851 49 C HN 0.896 nan 8.230 nan 0.000 0.545 50 G N 1.268 109.989 108.800 -0.132 0.000 2.225 50 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.264 50 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.264 50 G C -0.044 174.824 174.900 -0.053 0.000 1.060 50 G CA 0.535 45.584 45.100 -0.086 0.000 0.833 50 G HN 0.991 nan 8.290 nan 0.000 0.498 51 V N -4.222 115.665 119.914 -0.044 0.000 3.103 51 V HA 0.814 4.934 4.120 -0.000 0.000 0.318 51 V C 1.205 177.249 176.094 -0.084 0.000 1.114 51 V CA -0.350 61.932 62.300 -0.029 0.000 1.020 51 V CB 1.642 33.486 31.823 0.035 0.000 1.085 51 V HN 0.093 nan 8.190 nan 0.000 0.446 52 K N -0.631 119.663 120.400 -0.177 0.000 2.243 52 K HA 0.239 4.559 4.320 -0.000 0.000 0.201 52 K C 0.126 176.382 176.600 -0.573 0.000 1.051 52 K CA 0.766 56.804 56.287 -0.416 0.000 0.970 52 K CB -0.035 32.084 32.500 -0.634 0.000 0.755 52 K HN 0.783 nan 8.250 nan 0.000 0.465 53 H N -1.039 118.063 119.070 0.054 0.000 2.768 53 H HA 0.598 5.150 4.556 -0.005 0.000 0.371 53 H C -1.228 174.154 175.328 0.090 0.000 1.151 53 H CA -1.142 54.943 56.048 0.062 0.000 1.165 53 H CB 2.102 31.898 29.762 0.056 0.000 1.722 53 H HN 0.004 nan 8.280 nan 0.000 0.543 54 A N 2.763 125.711 122.820 0.213 0.000 2.402 54 A HA 0.564 4.883 4.320 -0.000 0.000 0.291 54 A C -1.129 176.517 177.584 0.105 0.000 1.051 54 A CA -0.571 51.565 52.037 0.164 0.000 0.716 54 A CB 0.574 19.670 19.000 0.160 0.000 1.223 54 A HN 0.447 nan 8.150 nan 0.000 0.425 55 I N 2.330 122.953 120.570 0.088 0.000 2.382 55 I HA 0.518 4.688 4.170 -0.000 0.000 0.285 55 I C 0.719 176.865 176.117 0.048 0.000 1.007 55 I CA -0.115 61.227 61.300 0.070 0.000 1.142 55 I CB 1.751 39.798 38.000 0.078 0.000 1.289 55 I HN 0.707 nan 8.210 nan 0.000 0.453 56 A N 5.438 128.286 122.820 0.046 0.000 2.450 56 A HA 0.590 4.910 4.320 -0.000 0.000 0.255 56 A C -0.150 177.501 177.584 0.112 0.000 1.096 56 A CA -0.087 51.993 52.037 0.072 0.000 0.778 56 A CB 0.043 19.112 19.000 0.114 0.000 1.031 56 A HN 0.808 nan 8.150 nan 0.000 0.494 57 C N 0.623 119.991 119.300 0.114 0.000 2.913 57 C HA 0.393 4.853 4.460 -0.000 0.000 0.322 57 C C 1.849 176.902 174.990 0.105 0.000 1.292 57 C CA -0.329 58.746 59.018 0.095 0.000 1.649 57 C CB 1.662 29.409 27.740 0.011 0.000 2.139 57 C HN 1.050 nan 8.230 nan 0.000 0.475 58 N N 0.738 119.489 118.700 0.084 0.000 2.459 58 N HA -0.067 4.673 4.740 -0.000 0.000 0.181 58 N C -0.023 175.524 175.510 0.062 0.000 1.046 58 N CA 0.778 53.883 53.050 0.092 0.000 0.904 58 N CB -0.136 38.422 38.487 0.118 0.000 0.964 58 N HN 0.880 nan 8.380 nan 0.000 0.444 59 N N -3.076 115.617 118.700 -0.011 0.000 3.261 59 N HA 0.191 4.931 4.740 -0.000 0.000 0.248 59 N C 0.237 175.677 175.510 -0.117 0.000 1.498 59 N CA -0.537 52.496 53.050 -0.028 0.000 0.884 59 N CB 0.554 39.040 38.487 -0.001 0.000 1.428 59 N HN -0.121 nan 8.380 nan 0.000 0.517 60 G N -1.398 107.315 108.800 -0.145 0.000 2.572 60 G HA2 -0.054 3.906 3.960 -0.000 0.000 0.216 60 G HA3 -0.054 3.906 3.960 -0.000 0.000 0.216 60 G C 0.566 175.370 174.900 -0.160 0.000 1.133 60 G CA 1.238 46.223 45.100 -0.191 0.000 0.791 60 G HN 0.578 nan 8.290 nan 0.000 0.538 61 T N 0.983 115.459 114.554 -0.131 0.000 2.770 61 T HA -0.102 4.248 4.350 -0.000 0.000 0.258 61 T C 2.874 177.496 174.700 -0.130 0.000 1.039 61 T CA 1.898 63.948 62.100 -0.082 0.000 1.143 61 T CB -0.540 68.322 68.868 -0.010 0.000 0.866 61 T HN 0.495 nan 8.240 nan 0.000 0.428 62 T N 1.141 115.517 114.554 -0.297 0.000 2.867 62 T HA 0.090 4.440 4.350 -0.000 0.000 0.268 62 T C 2.244 176.637 174.700 -0.512 0.000 1.057 62 T CA 1.028 62.703 62.100 -0.708 0.000 1.136 62 T CB -0.544 67.557 68.868 -1.277 0.000 0.874 62 T HN 0.295 nan 8.240 nan 0.000 0.466 63 A N 1.744 124.394 122.820 -0.284 0.000 1.883 63 A HA 0.094 4.414 4.320 -0.000 0.000 0.217 63 A C 2.433 179.956 177.584 -0.102 0.000 1.186 63 A CA 1.484 53.429 52.037 -0.153 0.000 0.624 63 A CB -0.995 17.930 19.000 -0.125 0.000 0.822 63 A HN 0.533 nan 8.150 nan 0.000 0.444 64 L N -1.729 119.433 121.223 -0.102 0.000 2.017 64 L HA -0.214 4.126 4.340 -0.000 0.000 0.208 64 L C 2.660 179.540 176.870 0.016 0.000 1.073 64 L CA 1.819 56.619 54.840 -0.067 0.000 0.745 64 L CB -0.652 41.346 42.059 -0.100 0.000 0.894 64 L HN 0.674 nan 8.230 nan 0.000 0.432 65 H N -0.397 118.624 119.070 -0.082 0.000 2.319 65 H HA -0.257 4.296 4.556 -0.005 0.000 0.299 65 H C 2.282 177.611 175.328 0.001 0.000 1.092 65 H CA 1.825 57.868 56.048 -0.008 0.000 1.302 65 H CB 0.202 29.968 29.762 0.006 0.000 1.373 65 H HN 0.177 nan 8.280 nan 0.000 0.497 66 L N 1.181 122.356 121.223 -0.079 0.000 2.012 66 L HA -0.123 4.217 4.340 -0.000 0.000 0.210 66 L C 2.671 179.565 176.870 0.040 0.000 1.073 66 L CA 2.067 56.902 54.840 -0.007 0.000 0.748 66 L CB -1.137 40.987 42.059 0.108 0.000 0.891 66 L HN 0.371 nan 8.230 nan 0.000 0.431 67 A N -0.744 122.090 122.820 0.024 0.000 1.902 67 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 67 A C 2.279 179.882 177.584 0.032 0.000 1.181 67 A CA 1.899 53.953 52.037 0.027 0.000 0.623 67 A CB -0.851 18.153 19.000 0.006 0.000 0.818 67 A HN 0.507 nan 8.150 nan 0.000 0.443 68 L N -0.559 120.687 121.223 0.039 0.000 2.017 68 L HA -0.160 4.179 4.340 -0.000 0.000 0.208 68 L C 2.533 179.448 176.870 0.075 0.000 1.073 68 L CA 1.171 56.042 54.840 0.051 0.000 0.745 68 L CB -0.561 41.541 42.059 0.072 0.000 0.894 68 L HN 0.249 nan 8.230 nan 0.000 0.432 69 V N 0.036 120.009 119.914 0.098 0.000 2.407 69 V HA -0.279 3.840 4.120 -0.000 0.000 0.248 69 V C 2.746 178.892 176.094 0.088 0.000 1.055 69 V CA 1.710 64.080 62.300 0.116 0.000 1.049 69 V CB -0.961 30.959 31.823 0.161 0.000 0.662 69 V HN 0.482 nan 8.190 nan 0.000 0.455 70 A N -0.582 122.285 122.820 0.078 0.000 1.933 70 A HA -0.196 4.124 4.320 -0.000 0.000 0.218 70 A C 2.147 179.756 177.584 0.042 0.000 1.175 70 A CA 1.956 54.028 52.037 0.059 0.000 0.628 70 A CB -0.499 18.534 19.000 0.055 0.000 0.814 70 A HN 0.507 nan 8.150 nan 0.000 0.444 71 M N -0.969 118.655 119.600 0.041 0.000 2.659 71 M HA 0.108 4.588 4.480 -0.000 0.000 0.243 71 M C 1.264 177.583 176.300 0.032 0.000 1.111 71 M CA 0.747 56.066 55.300 0.030 0.000 1.070 71 M CB -0.108 32.506 32.600 0.023 0.000 1.525 71 M HN 0.657 nan 8.290 nan 0.000 0.517 72 G N 1.451 110.276 108.800 0.042 0.000 2.147 72 G HA2 -0.208 3.751 3.960 -0.000 0.000 0.244 72 G HA3 -0.208 3.751 3.960 -0.000 0.000 0.244 72 G C -0.009 174.918 174.900 0.044 0.000 1.005 72 G CA -0.427 44.697 45.100 0.041 0.000 0.713 72 G HN 0.367 nan 8.290 nan 0.000 0.515 73 I N 0.968 121.569 120.570 0.051 0.000 2.588 73 I HA 0.558 4.728 4.170 -0.000 0.000 0.283 73 I C 1.139 177.297 176.117 0.068 0.000 1.119 73 I CA 0.813 62.142 61.300 0.049 0.000 1.419 73 I CB 0.465 38.491 38.000 0.044 0.000 1.394 73 I HN 0.387 nan 8.210 nan 0.000 0.562 74 G N 6.721 115.555 108.800 0.056 0.000 2.663 74 G HA2 0.570 4.530 3.960 -0.000 0.000 0.299 74 G HA3 0.570 4.530 3.960 -0.000 0.000 0.299 74 G C -3.194 171.737 174.900 0.051 0.000 1.372 74 G CA -0.993 44.147 45.100 0.066 0.000 0.781 74 G HN 0.281 nan 8.290 nan 0.000 0.491 75 P HA 0.237 nan 4.420 nan 0.000 0.263 75 P C 1.025 178.344 177.300 0.031 0.000 1.175 75 P CA 2.076 65.201 63.100 0.042 0.000 0.761 75 P CB 0.797 32.521 31.700 0.041 0.000 0.794 76 G N 1.371 110.187 108.800 0.026 0.000 2.213 76 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.236 76 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.236 76 G C -0.123 174.785 174.900 0.013 0.000 0.991 76 G CA -0.213 44.898 45.100 0.018 0.000 0.629 76 G HN 0.524 nan 8.290 nan 0.000 0.517 77 D N 0.777 121.185 120.400 0.014 0.000 2.268 77 D HA 0.635 5.275 4.640 -0.000 0.000 0.249 77 D C 0.160 176.457 176.300 -0.005 0.000 1.008 77 D CA -0.148 53.856 54.000 0.006 0.000 0.939 77 D CB 1.265 42.071 40.800 0.011 0.000 1.170 77 D HN 0.426 nan 8.370 nan 0.000 0.468 78 E N 0.057 120.247 120.200 -0.017 0.000 2.222 78 E HA 0.542 4.892 4.350 -0.000 0.000 0.267 78 E C -1.146 175.426 176.600 -0.048 0.000 0.884 78 E CA -0.866 55.513 56.400 -0.035 0.000 0.764 78 E CB 2.439 32.115 29.700 -0.040 0.000 1.169 78 E HN 0.019 nan 8.360 nan 0.000 0.413 79 V N 4.285 124.159 119.914 -0.067 0.000 2.531 79 V HA 0.365 4.485 4.120 -0.000 0.000 0.301 79 V C -0.227 175.803 176.094 -0.106 0.000 1.034 79 V CA -0.689 61.562 62.300 -0.081 0.000 0.865 79 V CB 1.577 33.347 31.823 -0.088 0.000 0.995 79 V HN 0.626 nan 8.190 nan 0.000 0.424 80 I N 4.971 125.478 120.570 -0.105 0.000 2.416 80 I HA 0.420 4.590 4.170 -0.000 0.000 0.288 80 I C -0.464 175.571 176.117 -0.138 0.000 1.051 80 I CA -0.074 61.155 61.300 -0.119 0.000 1.375 80 I CB 1.309 39.245 38.000 -0.106 0.000 1.407 80 I HN 0.286 nan 8.210 nan 0.000 0.516 81 V N 7.691 127.509 119.914 -0.159 0.000 2.841 81 V HA 0.386 4.506 4.120 -0.000 0.000 0.310 81 V C -2.429 173.566 176.094 -0.166 0.000 1.090 81 V CA -1.874 60.317 62.300 -0.182 0.000 0.930 81 V CB 2.116 33.798 31.823 -0.235 0.000 1.014 81 V HN 0.538 nan 8.190 nan 0.000 0.425 82 P HA 0.164 nan 4.420 nan 0.000 0.271 82 P C 0.740 177.975 177.300 -0.108 0.000 1.216 82 P CA 0.167 63.203 63.100 -0.107 0.000 0.776 82 P CB 0.981 32.631 31.700 -0.082 0.000 0.881 83 S N 2.430 118.095 115.700 -0.059 0.000 2.402 83 S HA -0.096 4.373 4.470 -0.000 0.000 0.229 83 S C 0.908 175.525 174.600 0.028 0.000 1.021 83 S CA 0.465 58.664 58.200 -0.001 0.000 0.974 83 S CB -0.656 62.621 63.200 0.128 0.000 0.800 83 S HN 0.373 nan 8.310 nan 0.000 0.484 84 L N 2.363 123.615 121.223 0.049 0.000 2.375 84 L HA 0.450 4.790 4.340 -0.000 0.000 0.276 84 L C -0.074 176.815 176.870 0.032 0.000 1.162 84 L CA 0.497 55.397 54.840 0.099 0.000 0.991 84 L CB 0.247 42.409 42.059 0.170 0.000 1.315 84 L HN 0.166 nan 8.230 nan 0.000 0.431 85 T N 2.006 116.514 114.554 -0.077 0.000 2.677 85 T HA 0.200 4.550 4.350 -0.000 0.000 0.305 85 T C -1.510 172.736 174.700 -0.757 0.000 1.569 85 T CA -0.547 61.349 62.100 -0.340 0.000 0.984 85 T CB 0.287 68.977 68.868 -0.297 0.000 1.629 85 T HN 0.134 nan 8.240 nan 0.000 0.494 86 Y N 2.254 121.811 120.300 -1.238 0.000 2.511 86 Y HA 0.339 4.885 4.550 -0.008 0.000 0.332 86 Y C 1.582 177.182 175.900 -0.500 0.000 1.177 86 Y CA -0.435 57.011 58.100 -1.090 0.000 1.422 86 Y CB 0.266 38.206 38.460 -0.866 0.000 1.271 86 Y HN 0.668 nan 8.280 nan 0.000 0.550 87 I N 4.772 124.622 120.570 -1.199 0.000 2.399 87 I HA -0.337 3.832 4.170 -0.000 0.000 0.254 87 I C 2.045 177.812 176.117 -0.584 0.000 1.146 87 I CA 1.821 62.701 61.300 -0.700 0.000 1.412 87 I CB -0.203 37.494 38.000 -0.505 0.000 1.076 87 I HN 0.888 nan 8.210 nan 0.000 0.432 88 A N -0.404 121.987 122.820 -0.715 0.000 1.986 88 A HA -0.238 4.082 4.320 -0.000 0.000 0.220 88 A C 2.375 179.778 177.584 -0.301 0.000 1.171 88 A CA 2.196 54.051 52.037 -0.303 0.000 0.640 88 A CB -0.801 18.220 19.000 0.035 0.000 0.811 88 A HN 0.527 nan 8.150 nan 0.000 0.451 89 S N -0.198 115.310 115.700 -0.321 0.000 2.356 89 S HA -0.066 4.404 4.470 -0.000 0.000 0.223 89 S C 2.301 176.695 174.600 -0.343 0.000 1.032 89 S CA 1.335 59.353 58.200 -0.303 0.000 1.005 89 S CB -0.462 62.554 63.200 -0.307 0.000 0.867 89 S HN 0.829 nan 8.310 nan 0.000 0.449 90 A N 2.626 125.193 122.820 -0.422 0.000 1.854 90 A HA -0.084 4.236 4.320 -0.000 0.000 0.214 90 A C 1.920 179.238 177.584 -0.443 0.000 1.192 90 A CA 1.342 53.052 52.037 -0.545 0.000 0.611 90 A CB -0.833 17.598 19.000 -0.950 0.000 0.832 90 A HN 0.417 nan 8.150 nan 0.000 0.442 91 N N 1.032 119.508 118.700 -0.373 0.000 2.091 91 N HA -0.204 4.536 4.740 -0.000 0.000 0.193 91 N C 2.070 176.946 175.510 -1.056 0.000 1.021 91 N CA 2.099 54.827 53.050 -0.536 0.000 0.862 91 N CB -0.638 37.530 38.487 -0.532 0.000 1.018 91 N HN 0.658 nan 8.380 nan 0.000 0.429 92 S N 0.091 115.326 115.700 -0.775 0.000 2.370 92 S HA -0.098 4.372 4.470 -0.000 0.000 0.226 92 S C 2.173 176.580 174.600 -0.322 0.000 1.033 92 S CA 1.372 59.228 58.200 -0.573 0.000 1.011 92 S CB -0.810 62.262 63.200 -0.213 0.000 0.852 92 S HN 0.090 nan 8.310 nan 0.000 0.457 93 V N 2.035 121.791 119.914 -0.264 0.000 2.358 93 V HA -0.143 3.977 4.120 -0.000 0.000 0.246 93 V C 2.904 178.940 176.094 -0.096 0.000 1.047 93 V CA 2.196 64.417 62.300 -0.131 0.000 1.035 93 V CB -1.565 30.167 31.823 -0.152 0.000 0.658 93 V HN 0.582 nan 8.190 nan 0.000 0.452 94 T N -0.583 113.871 114.554 -0.167 0.000 2.684 94 T HA -0.216 4.133 4.350 -0.000 0.000 0.267 94 T C 1.802 176.513 174.700 0.019 0.000 1.036 94 T CA 1.952 64.019 62.100 -0.055 0.000 1.148 94 T CB -0.390 68.470 68.868 -0.014 0.000 0.863 94 T HN 0.455 nan 8.240 nan 0.000 0.436 95 Y N 0.844 121.085 120.300 -0.099 0.000 2.193 95 Y HA -0.139 4.404 4.550 -0.011 0.000 0.285 95 Y C 2.843 178.729 175.900 -0.023 0.000 1.166 95 Y CA -0.492 57.492 58.100 -0.193 0.000 1.181 95 Y CB -1.564 36.489 38.460 -0.678 0.000 0.976 95 Y HN 0.310 nan 8.280 nan 0.000 0.520 96 C N -0.932 118.499 119.300 0.218 0.000 2.437 96 C HA 0.219 4.679 4.460 -0.000 0.000 0.283 96 C C 2.284 177.365 174.990 0.152 0.000 1.424 96 C CA 1.035 60.193 59.018 0.233 0.000 1.782 96 C CB -1.182 26.665 27.740 0.178 0.000 1.833 96 C HN 0.863 nan 8.230 nan 0.000 0.532 97 G N -0.299 108.569 108.800 0.113 0.000 2.175 97 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.244 97 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.244 97 G C 0.124 175.061 174.900 0.062 0.000 0.982 97 G CA 0.259 45.409 45.100 0.084 0.000 0.641 97 G HN 0.895 nan 8.290 nan 0.000 0.527 98 A N -0.426 122.426 122.820 0.053 0.000 2.246 98 A HA 0.822 5.142 4.320 -0.000 0.000 0.291 98 A C 0.481 178.077 177.584 0.019 0.000 1.103 98 A CA 0.713 52.767 52.037 0.029 0.000 0.844 98 A CB 0.682 19.692 19.000 0.016 0.000 1.136 98 A HN 0.734 nan 8.150 nan 0.000 0.500 99 T N 2.778 117.334 114.554 0.004 0.000 2.770 99 T HA 0.520 4.870 4.350 -0.000 0.000 0.297 99 T C -2.709 171.958 174.700 -0.055 0.000 0.997 99 T CA -0.832 61.267 62.100 -0.002 0.000 0.949 99 T CB 1.026 69.898 68.868 0.007 0.000 0.941 99 T HN 0.378 nan 8.240 nan 0.000 0.457 100 P HA 0.316 nan 4.420 nan 0.000 0.275 100 P C -0.937 176.271 177.300 -0.152 0.000 1.227 100 P CA -0.451 62.544 63.100 -0.176 0.000 0.781 100 P CB 0.665 32.170 31.700 -0.324 0.000 0.906 101 V N 4.891 124.717 119.914 -0.147 0.000 2.380 101 V HA 0.244 4.364 4.120 -0.000 0.000 0.286 101 V C 0.125 176.131 176.094 -0.148 0.000 1.015 101 V CA -0.533 61.689 62.300 -0.130 0.000 0.834 101 V CB 0.967 32.729 31.823 -0.102 0.000 1.009 101 V HN 0.379 nan 8.190 nan 0.000 0.428 102 L N 5.086 126.212 121.223 -0.161 0.000 2.349 102 L HA 0.582 4.922 4.340 -0.000 0.000 0.275 102 L C -0.048 176.737 176.870 -0.140 0.000 1.115 102 L CA -0.219 54.524 54.840 -0.162 0.000 0.820 102 L CB 1.438 43.393 42.059 -0.174 0.000 1.135 102 L HN 0.437 nan 8.230 nan 0.000 0.445 103 V N 2.589 122.430 119.914 -0.121 0.000 2.769 103 V HA 0.379 4.499 4.120 -0.000 0.000 0.312 103 V C -0.407 175.642 176.094 -0.076 0.000 1.061 103 V CA -0.587 61.654 62.300 -0.098 0.000 0.931 103 V CB 2.297 34.067 31.823 -0.088 0.000 1.010 103 V HN 0.723 nan 8.190 nan 0.000 0.433 104 D N 3.304 123.666 120.400 -0.062 0.000 2.360 104 D HA 0.256 4.896 4.640 -0.000 0.000 0.242 104 D C -0.204 176.087 176.300 -0.013 0.000 1.184 104 D CA 0.165 54.146 54.000 -0.031 0.000 0.930 104 D CB 0.778 41.560 40.800 -0.029 0.000 1.161 104 D HN 0.857 nan 8.370 nan 0.000 0.447 105 N N 0.294 119.004 118.700 0.016 0.000 2.531 105 N HA 0.155 4.894 4.740 -0.000 0.000 0.290 105 N C -0.717 174.801 175.510 0.013 0.000 1.257 105 N CA -0.666 52.399 53.050 0.026 0.000 0.863 105 N CB 1.254 39.787 38.487 0.076 0.000 1.320 105 N HN 0.329 nan 8.380 nan 0.000 0.538 106 D N 0.111 120.510 120.400 -0.001 0.000 2.389 106 D HA 0.084 4.724 4.640 -0.000 0.000 0.247 106 D C -1.393 174.854 176.300 -0.088 0.000 1.128 106 D CA -1.437 52.538 54.000 -0.041 0.000 0.884 106 D CB 1.560 42.335 40.800 -0.042 0.000 1.194 106 D HN 0.309 nan 8.370 nan 0.000 0.441 107 P HA -0.044 nan 4.420 nan 0.000 0.223 107 P C 1.015 178.131 177.300 -0.307 0.000 1.151 107 P CA 0.787 63.803 63.100 -0.138 0.000 0.787 107 P CB 0.548 32.196 31.700 -0.087 0.000 0.788 108 R N -0.424 119.890 120.500 -0.310 0.000 2.123 108 R HA 0.059 4.398 4.340 -0.000 0.000 0.209 108 R C 2.220 178.243 176.300 -0.463 0.000 1.078 108 R CA 1.764 57.646 56.100 -0.363 0.000 1.028 108 R CB -0.620 29.501 30.300 -0.299 0.000 0.939 108 R HN 0.247 nan 8.270 nan 0.000 0.463 109 T N -2.766 111.619 114.554 -0.282 0.000 3.060 109 T HA 0.097 4.447 4.350 -0.000 0.000 0.249 109 T C 0.520 175.204 174.700 -0.027 0.000 1.079 109 T CA -0.018 62.004 62.100 -0.130 0.000 1.013 109 T CB 0.026 68.919 68.868 0.041 0.000 0.975 109 T HN 0.199 nan 8.240 nan 0.000 0.518 110 F N -0.108 119.899 119.950 0.095 0.000 2.748 110 F HA -0.185 4.340 4.527 -0.002 0.000 0.370 110 F C 0.324 176.152 175.800 0.046 0.000 0.620 110 F CA 0.091 58.153 58.000 0.103 0.000 1.233 110 F CB -2.372 36.746 39.000 0.196 0.000 1.708 110 F HN 0.269 nan 8.300 nan 0.000 0.298 111 N N 1.213 119.999 118.700 0.143 0.000 2.495 111 N HA 0.437 5.177 4.740 -0.000 0.000 0.280 111 N C -0.005 175.524 175.510 0.031 0.000 1.168 111 N CA -0.644 52.450 53.050 0.073 0.000 0.978 111 N CB 0.957 39.479 38.487 0.057 0.000 1.191 111 N HN 0.276 nan 8.380 nan 0.000 0.497 112 L N 1.009 122.231 121.223 -0.001 0.000 2.640 112 L HA -0.112 4.228 4.340 -0.000 0.000 0.280 112 L C 0.127 176.986 176.870 -0.018 0.000 1.229 112 L CA 0.349 55.175 54.840 -0.023 0.000 0.919 112 L CB 0.238 42.266 42.059 -0.051 0.000 1.168 112 L HN 0.463 nan 8.230 nan 0.000 0.496 113 D N 4.283 124.671 120.400 -0.020 0.000 2.365 113 D HA 0.231 4.871 4.640 -0.000 0.000 0.237 113 D C 0.865 177.151 176.300 -0.024 0.000 1.190 113 D CA 0.346 54.335 54.000 -0.019 0.000 0.867 113 D CB 1.750 42.539 40.800 -0.018 0.000 1.050 113 D HN 0.644 nan 8.370 nan 0.000 0.491 114 A N 3.972 126.782 122.820 -0.018 0.000 2.024 114 A HA -0.091 4.228 4.320 -0.000 0.000 0.220 114 A C 2.057 179.631 177.584 -0.016 0.000 1.164 114 A CA 1.725 53.751 52.037 -0.018 0.000 0.643 114 A CB -0.446 18.549 19.000 -0.008 0.000 0.806 114 A HN 0.646 nan 8.150 nan 0.000 0.451 115 A N -0.982 121.830 122.820 -0.014 0.000 2.121 115 A HA -0.043 4.277 4.320 -0.000 0.000 0.218 115 A C 1.838 179.409 177.584 -0.022 0.000 1.154 115 A CA 1.366 53.395 52.037 -0.013 0.000 0.679 115 A CB -0.129 18.863 19.000 -0.012 0.000 0.795 115 A HN 0.297 nan 8.150 nan 0.000 0.458 116 K N -0.527 119.855 120.400 -0.030 0.000 2.374 116 K HA 0.313 4.633 4.320 -0.000 0.000 0.196 116 K C 1.362 177.930 176.600 -0.053 0.000 1.023 116 K CA 0.022 56.285 56.287 -0.040 0.000 1.103 116 K CB -0.019 32.456 32.500 -0.043 0.000 0.848 116 K HN 0.496 nan 8.250 nan 0.000 0.528 117 L N 0.431 121.623 121.223 -0.052 0.000 1.993 117 L HA -0.144 4.196 4.340 -0.000 0.000 0.206 117 L C 2.295 179.109 176.870 -0.093 0.000 1.074 117 L CA 1.169 55.966 54.840 -0.071 0.000 0.746 117 L CB -0.390 41.632 42.059 -0.062 0.000 0.896 117 L HN 0.084 nan 8.230 nan 0.000 0.435 118 E N 0.445 120.599 120.200 -0.077 0.000 2.172 118 E HA -0.331 4.019 4.350 -0.000 0.000 0.213 118 E C 2.020 178.552 176.600 -0.112 0.000 1.051 118 E CA 2.056 58.396 56.400 -0.100 0.000 0.860 118 E CB -0.221 29.466 29.700 -0.022 0.000 0.755 118 E HN 0.453 nan 8.360 nan 0.000 0.462 119 A N -0.318 122.457 122.820 -0.075 0.000 2.070 119 A HA -0.116 4.204 4.320 -0.000 0.000 0.220 119 A C 2.042 179.579 177.584 -0.080 0.000 1.159 119 A CA 1.263 53.260 52.037 -0.066 0.000 0.656 119 A CB -0.407 18.564 19.000 -0.050 0.000 0.800 119 A HN 0.328 nan 8.150 nan 0.000 0.453 120 L N -0.258 120.906 121.223 -0.097 0.000 2.567 120 L HA 0.210 4.550 4.340 -0.000 0.000 0.225 120 L C 0.236 177.038 176.870 -0.113 0.000 1.119 120 L CA -0.262 54.520 54.840 -0.097 0.000 0.871 120 L CB -0.245 41.755 42.059 -0.100 0.000 1.036 120 L HN 0.278 nan 8.230 nan 0.000 0.459 121 I N 0.646 121.123 120.570 -0.156 0.000 2.634 121 I HA 0.120 4.290 4.170 -0.000 0.000 0.284 121 I C 0.638 176.681 176.117 -0.124 0.000 1.124 121 I CA 0.330 61.517 61.300 -0.188 0.000 1.417 121 I CB 1.029 38.795 38.000 -0.391 0.000 1.396 121 I HN 0.130 nan 8.210 nan 0.000 0.571 122 T N 1.890 116.392 114.554 -0.086 0.000 2.787 122 T HA 0.375 4.725 4.350 -0.000 0.000 0.297 122 T C -2.398 172.287 174.700 -0.025 0.000 1.221 122 T CA -1.470 60.603 62.100 -0.046 0.000 1.006 122 T CB 1.645 70.491 68.868 -0.037 0.000 1.328 122 T HN 0.203 nan 8.240 nan 0.000 0.509 123 P HA 0.012 nan 4.420 nan 0.000 0.218 123 P C 1.073 178.373 177.300 -0.000 0.000 1.146 123 P CA 1.000 64.102 63.100 0.003 0.000 0.813 123 P CB 0.038 31.740 31.700 0.004 0.000 0.778 124 R N -1.886 118.609 120.500 -0.008 0.000 2.300 124 R HA 0.124 4.464 4.340 -0.000 0.000 0.199 124 R C 0.355 176.647 176.300 -0.014 0.000 0.920 124 R CA 0.209 56.305 56.100 -0.007 0.000 1.046 124 R CB -0.376 29.919 30.300 -0.008 0.000 0.984 124 R HN 0.132 nan 8.270 nan 0.000 0.493 125 T N 1.352 115.892 114.554 -0.023 0.000 2.888 125 T HA 0.075 4.424 4.350 -0.000 0.000 0.301 125 T C 0.967 175.657 174.700 -0.016 0.000 1.001 125 T CA 0.145 62.225 62.100 -0.032 0.000 1.147 125 T CB 1.234 70.068 68.868 -0.056 0.000 0.931 125 T HN -0.023 nan 8.240 nan 0.000 0.541 126 K N 0.604 120.993 120.400 -0.018 0.000 2.403 126 K HA 0.469 4.788 4.320 -0.000 0.000 0.199 126 K C 0.542 177.135 176.600 -0.012 0.000 1.199 126 K CA 0.191 56.474 56.287 -0.007 0.000 0.924 126 K CB 0.976 33.474 32.500 -0.003 0.000 1.137 126 K HN 0.689 nan 8.250 nan 0.000 0.510 127 A N 0.762 123.565 122.820 -0.028 0.000 2.593 127 A HA 0.756 5.076 4.320 -0.000 0.000 0.290 127 A C -1.415 176.134 177.584 -0.058 0.000 1.126 127 A CA -0.652 51.363 52.037 -0.037 0.000 0.695 127 A CB 1.223 20.201 19.000 -0.036 0.000 1.290 127 A HN 0.047 nan 8.150 nan 0.000 0.414 128 I N 0.677 121.209 120.570 -0.064 0.000 2.545 128 I HA 0.449 4.619 4.170 -0.000 0.000 0.292 128 I C -0.303 175.752 176.117 -0.104 0.000 1.040 128 I CA -0.164 61.087 61.300 -0.083 0.000 1.068 128 I CB 2.125 40.082 38.000 -0.072 0.000 1.251 128 I HN 0.712 nan 8.210 nan 0.000 0.424 129 M N 8.663 128.186 119.600 -0.129 0.000 2.268 129 M HA 0.399 4.879 4.480 -0.000 0.000 0.340 129 M C -2.617 173.569 176.300 -0.189 0.000 1.099 129 M CA -1.693 53.508 55.300 -0.165 0.000 1.053 129 M CB 0.823 33.316 32.600 -0.179 0.000 1.284 129 M HN 0.160 nan 8.290 nan 0.000 0.410 130 P HA 0.153 nan 4.420 nan 0.000 0.276 130 P C -1.031 176.054 177.300 -0.358 0.000 1.235 130 P CA -0.149 62.826 63.100 -0.207 0.000 0.772 130 P CB 1.106 32.712 31.700 -0.158 0.000 0.871 131 V N 4.897 124.625 119.914 -0.310 0.000 2.417 131 V HA 0.162 4.282 4.120 -0.000 0.000 0.291 131 V C 0.427 176.352 176.094 -0.282 0.000 1.024 131 V CA -0.645 61.426 62.300 -0.381 0.000 0.861 131 V CB 0.808 32.469 31.823 -0.269 0.000 0.985 131 V HN 0.510 nan 8.190 nan 0.000 0.436 132 H N 5.026 123.994 119.070 -0.170 0.000 3.092 132 H HA 0.335 4.894 4.556 0.006 0.000 0.263 132 H C 0.113 175.352 175.328 -0.148 0.000 1.611 132 H CA -0.271 55.690 56.048 -0.145 0.000 1.457 132 H CB -0.053 29.629 29.762 -0.132 0.000 1.731 132 H HN 0.452 nan 8.280 nan 0.000 0.532 133 L N 2.816 123.998 121.223 -0.069 0.000 2.490 133 L HA -0.107 4.233 4.340 -0.000 0.000 0.274 133 L C 0.443 177.215 176.870 -0.164 0.000 1.201 133 L CA 0.026 54.708 54.840 -0.263 0.000 0.869 133 L CB 0.137 41.926 42.059 -0.450 0.000 1.123 133 L HN 0.639 nan 8.230 nan 0.000 0.484 134 Y N 1.404 121.894 120.300 0.317 0.000 4.604 134 Y HA -0.249 4.304 4.550 0.006 0.000 0.230 134 Y C 1.360 177.441 175.900 0.301 0.000 1.066 134 Y CA 0.993 59.313 58.100 0.368 0.000 1.990 134 Y CB -2.241 36.315 38.460 0.160 0.000 1.619 134 Y HN 0.906 nan 8.280 nan 0.000 0.649 135 G N -0.698 108.263 108.800 0.268 0.000 2.176 135 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.232 135 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.232 135 G C 0.032 174.860 174.900 -0.120 0.000 0.986 135 G CA 0.127 45.349 45.100 0.204 0.000 0.643 135 G HN 0.694 nan 8.290 nan 0.000 0.522 136 Q N 0.758 120.308 119.800 -0.416 0.000 2.314 136 Q HA 0.673 5.013 4.340 -0.000 0.000 0.259 136 Q C 0.432 176.300 176.000 -0.219 0.000 0.951 136 Q CA -0.898 54.570 55.803 -0.559 0.000 0.909 136 Q CB 0.574 28.746 28.738 -0.944 0.000 1.236 136 Q HN 0.403 nan 8.270 nan 0.000 0.444 137 I N 3.209 123.632 120.570 -0.245 0.000 2.634 137 I HA 0.049 4.219 4.170 -0.000 0.000 0.284 137 I C 0.382 176.393 176.117 -0.177 0.000 1.124 137 I CA -0.712 60.310 61.300 -0.462 0.000 1.417 137 I CB 0.689 38.400 38.000 -0.481 0.000 1.396 137 I HN 0.770 nan 8.210 nan 0.000 0.571 138 C N 3.820 123.093 119.300 -0.046 0.000 2.758 138 C HA -0.053 4.407 4.460 -0.000 0.000 0.371 138 C C 1.028 175.925 174.990 -0.155 0.000 1.342 138 C CA -0.212 58.798 59.018 -0.014 0.000 2.257 138 C CB -0.289 27.476 27.740 0.042 0.000 2.621 138 C HN 0.659 nan 8.230 nan 0.000 0.730 139 D N 1.664 122.030 120.400 -0.058 0.000 2.498 139 D HA 0.087 4.727 4.640 -0.000 0.000 0.229 139 D C 1.172 177.370 176.300 -0.169 0.000 1.188 139 D CA 0.020 54.023 54.000 0.005 0.000 1.028 139 D CB 0.041 40.896 40.800 0.091 0.000 1.087 139 D HN 0.293 nan 8.370 nan 0.000 0.510 140 M N 1.045 120.263 119.600 -0.638 0.000 2.213 140 M HA -0.133 4.347 4.480 -0.000 0.000 0.263 140 M C 1.105 177.315 176.300 -0.149 0.000 1.062 140 M CA 1.010 56.038 55.300 -0.454 0.000 1.105 140 M CB -0.466 31.732 32.600 -0.669 0.000 1.385 140 M HN 0.283 nan 8.290 nan 0.000 0.417 141 D N 0.544 120.966 120.400 0.037 0.000 2.087 141 D HA -0.124 4.516 4.640 -0.000 0.000 0.192 141 D C -0.586 175.743 176.300 0.049 0.000 0.993 141 D CA 1.535 55.598 54.000 0.105 0.000 0.828 141 D CB -1.803 39.108 40.800 0.185 0.000 0.968 141 D HN 0.256 nan 8.370 nan 0.000 0.448 142 P HA -0.037 nan 4.420 nan 0.000 0.218 142 P C 1.786 179.093 177.300 0.011 0.000 1.149 142 P CA 0.773 63.891 63.100 0.030 0.000 0.817 142 P CB -0.037 31.682 31.700 0.032 0.000 0.785 143 I N -1.214 119.349 120.570 -0.012 0.000 2.202 143 I HA -0.201 3.969 4.170 -0.000 0.000 0.242 143 I C 2.314 178.424 176.117 -0.012 0.000 1.091 143 I CA 1.283 62.569 61.300 -0.023 0.000 1.368 143 I CB -0.706 37.262 38.000 -0.053 0.000 1.058 143 I HN -0.123 nan 8.210 nan 0.000 0.410 144 L N 0.165 121.379 121.223 -0.014 0.000 2.093 144 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 144 L C 2.650 179.529 176.870 0.014 0.000 1.085 144 L CA 1.130 55.969 54.840 -0.003 0.000 0.755 144 L CB -0.611 41.446 42.059 -0.004 0.000 0.904 144 L HN 0.253 nan 8.230 nan 0.000 0.435 145 E N 0.182 120.393 120.200 0.019 0.000 2.038 145 E HA -0.202 4.148 4.350 -0.000 0.000 0.195 145 E C 2.290 178.912 176.600 0.037 0.000 1.000 145 E CA 1.643 58.056 56.400 0.023 0.000 0.803 145 E CB -0.045 29.670 29.700 0.025 0.000 0.750 145 E HN 0.289 nan 8.360 nan 0.000 0.448 146 V N 1.268 121.212 119.914 0.051 0.000 2.295 146 V HA -0.270 3.850 4.120 -0.000 0.000 0.246 146 V C 2.482 178.671 176.094 0.158 0.000 1.049 146 V CA 1.820 64.185 62.300 0.108 0.000 1.024 146 V CB -0.855 31.009 31.823 0.070 0.000 0.648 146 V HN 0.299 nan 8.190 nan 0.000 0.447 147 A N -0.004 122.863 122.820 0.079 0.000 1.883 147 A HA -0.255 4.065 4.320 -0.000 0.000 0.217 147 A C 2.361 179.985 177.584 0.068 0.000 1.186 147 A CA 2.056 54.136 52.037 0.071 0.000 0.624 147 A CB -0.531 18.483 19.000 0.023 0.000 0.822 147 A HN 0.506 nan 8.150 nan 0.000 0.444 148 R N -1.139 119.382 120.500 0.034 0.000 2.096 148 R HA -0.103 4.237 4.340 -0.000 0.000 0.235 148 R C 2.462 178.748 176.300 -0.023 0.000 1.127 148 R CA 1.546 57.652 56.100 0.009 0.000 0.968 148 R CB -0.275 30.027 30.300 0.004 0.000 0.861 148 R HN 0.580 nan 8.270 nan 0.000 0.440 149 R N -0.060 120.412 120.500 -0.047 0.000 2.152 149 R HA -0.115 4.225 4.340 -0.000 0.000 0.232 149 R C 0.874 176.946 176.300 -0.382 0.000 1.117 149 R CA 1.280 57.264 56.100 -0.193 0.000 0.981 149 R CB 0.082 30.257 30.300 -0.209 0.000 0.870 149 R HN 0.382 nan 8.270 nan 0.000 0.451 150 H N -0.720 118.345 119.070 -0.009 0.000 2.542 150 H HA 0.149 4.704 4.556 -0.002 0.000 0.283 150 H C -0.212 175.111 175.328 -0.009 0.000 1.059 150 H CA -0.077 55.965 56.048 -0.010 0.000 1.162 150 H CB 0.146 29.900 29.762 -0.014 0.000 1.539 150 H HN 0.260 nan 8.280 nan 0.000 0.543 151 N N 1.087 119.811 118.700 0.040 0.000 2.714 151 N HA -0.173 4.566 4.740 -0.000 0.000 0.252 151 N C -0.933 174.603 175.510 0.043 0.000 1.014 151 N CA 0.067 53.135 53.050 0.031 0.000 0.735 151 N CB -0.830 37.666 38.487 0.016 0.000 0.924 151 N HN 0.303 nan 8.380 nan 0.000 0.540 152 L N 0.273 121.527 121.223 0.052 0.000 2.334 152 L HA 0.502 4.842 4.340 -0.000 0.000 0.275 152 L C 0.727 177.606 176.870 0.014 0.000 1.036 152 L CA -0.964 53.895 54.840 0.032 0.000 0.807 152 L CB 1.154 43.232 42.059 0.032 0.000 1.231 152 L HN 0.036 nan 8.230 nan 0.000 0.438 153 L N 1.944 123.169 121.223 0.003 0.000 2.418 153 L HA 0.406 4.746 4.340 -0.000 0.000 0.265 153 L C -0.472 176.387 176.870 -0.017 0.000 1.143 153 L CA -0.486 54.352 54.840 -0.003 0.000 0.809 153 L CB 1.494 43.551 42.059 -0.004 0.000 1.124 153 L HN 0.264 nan 8.230 nan 0.000 0.456 154 V N 3.733 123.634 119.914 -0.021 0.000 2.483 154 V HA 0.419 4.539 4.120 -0.000 0.000 0.297 154 V C -0.434 175.631 176.094 -0.048 0.000 1.027 154 V CA -0.422 61.855 62.300 -0.039 0.000 0.855 154 V CB 1.978 33.780 31.823 -0.036 0.000 0.995 154 V HN 0.529 nan 8.190 nan 0.000 0.424 155 I N 3.920 124.444 120.570 -0.076 0.000 2.410 155 I HA 0.545 4.715 4.170 -0.000 0.000 0.286 155 I C -0.009 176.013 176.117 -0.158 0.000 1.009 155 I CA -0.281 60.963 61.300 -0.093 0.000 1.111 155 I CB 1.403 39.352 38.000 -0.085 0.000 1.262 155 I HN 0.688 nan 8.210 nan 0.000 0.443 156 E N 5.572 125.665 120.200 -0.179 0.000 2.289 156 E HA 0.107 4.456 4.350 -0.000 0.000 0.278 156 E C -0.954 175.406 176.600 -0.399 0.000 1.032 156 E CA -0.419 55.789 56.400 -0.321 0.000 0.854 156 E CB 0.937 30.490 29.700 -0.245 0.000 1.046 156 E HN 0.402 nan 8.360 nan 0.000 0.409 157 D N 2.526 122.640 120.400 -0.476 0.000 2.468 157 D HA 0.184 4.824 4.640 -0.000 0.000 0.218 157 D C -0.324 175.651 176.300 -0.543 0.000 1.155 157 D CA -0.336 53.402 54.000 -0.437 0.000 0.924 157 D CB 0.610 41.201 40.800 -0.348 0.000 1.029 157 D HN 0.489 nan 8.370 nan 0.000 0.515 158 A N 3.135 125.595 122.820 -0.600 0.000 2.507 158 A HA 0.456 4.776 4.320 -0.000 0.000 0.270 158 A C 1.902 179.217 177.584 -0.449 0.000 1.318 158 A CA 0.417 52.130 52.037 -0.540 0.000 0.924 158 A CB -0.047 18.485 19.000 -0.781 0.000 1.061 158 A HN 0.540 nan 8.150 nan 0.000 0.516 159 A N 0.650 123.235 122.820 -0.393 0.000 1.971 159 A HA -0.232 4.088 4.320 -0.000 0.000 0.222 159 A C 1.606 179.021 177.584 -0.281 0.000 1.182 159 A CA 1.991 53.844 52.037 -0.306 0.000 0.649 159 A CB -0.271 18.530 19.000 -0.332 0.000 0.818 159 A HN 0.598 nan 8.150 nan 0.000 0.458 160 E N -1.765 118.261 120.200 -0.291 0.000 2.465 160 E HA 0.423 4.773 4.350 -0.000 0.000 0.195 160 E C 0.421 177.015 176.600 -0.010 0.000 1.028 160 E CA 0.318 56.503 56.400 -0.360 0.000 0.899 160 E CB 0.389 29.931 29.700 -0.264 0.000 1.032 160 E HN 0.529 nan 8.360 nan 0.000 0.468 161 A N 0.890 123.776 122.820 0.111 0.000 2.585 161 A HA 0.178 4.498 4.320 -0.000 0.000 0.281 161 A C 0.068 177.888 177.584 0.393 0.000 0.945 161 A CA -0.393 51.787 52.037 0.238 0.000 1.031 161 A CB 0.416 19.527 19.000 0.185 0.000 1.221 161 A HN 0.128 nan 8.150 nan 0.000 0.496 162 V N 0.405 120.615 119.914 0.492 0.000 2.763 162 V HA 0.430 4.550 4.120 -0.000 0.000 0.306 162 V C 1.414 177.762 176.094 0.424 0.000 1.059 162 V CA 2.137 64.761 62.300 0.540 0.000 1.138 162 V CB 0.719 32.852 31.823 0.518 0.000 0.940 162 V HN 1.861 nan 8.190 nan 0.000 0.489 163 G N 3.951 113.019 108.800 0.446 0.000 2.320 163 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.242 163 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.242 163 G C 0.685 175.704 174.900 0.198 0.000 1.033 163 G CA 0.256 45.575 45.100 0.366 0.000 0.620 163 G HN 2.115 nan 8.290 nan 0.000 0.517 164 A N 0.406 123.345 122.820 0.199 0.000 2.448 164 A HA 0.644 4.964 4.320 -0.000 0.000 0.239 164 A C 0.854 178.474 177.584 0.061 0.000 1.080 164 A CA 1.802 53.914 52.037 0.124 0.000 0.779 164 A CB 0.177 19.225 19.000 0.081 0.000 1.026 164 A HN 2.034 nan 8.150 nan 0.000 0.499 165 T N -1.851 112.732 114.554 0.048 0.000 2.896 165 T HA 0.570 4.920 4.350 -0.000 0.000 0.297 165 T C -1.172 173.574 174.700 0.076 0.000 1.108 165 T CA -0.392 61.729 62.100 0.035 0.000 1.004 165 T CB 1.398 70.269 68.868 0.006 0.000 1.159 165 T HN 0.993 nan 8.240 nan 0.000 0.499 166 Y N 2.226 122.488 120.300 -0.064 0.000 2.344 166 Y HA 0.430 4.984 4.550 0.006 0.000 0.328 166 Y C 0.343 176.219 175.900 -0.040 0.000 1.067 166 Y CA -0.779 57.284 58.100 -0.062 0.000 1.247 166 Y CB 0.842 39.246 38.460 -0.093 0.000 1.113 166 Y HN 0.948 nan 8.280 nan 0.000 0.465 167 R N 3.814 124.104 120.500 -0.351 0.000 3.333 167 R HA -0.215 4.125 4.340 -0.000 0.000 0.256 167 R C 0.914 177.164 176.300 -0.082 0.000 1.010 167 R CA 0.980 56.930 56.100 -0.251 0.000 0.680 167 R CB -2.186 27.910 30.300 -0.339 0.000 1.102 167 R HN 1.531 nan 8.270 nan 0.000 0.440 168 G N -0.545 108.219 108.800 -0.061 0.000 2.162 168 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.260 168 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.260 168 G C 0.045 174.934 174.900 -0.018 0.000 0.976 168 G CA 0.930 46.009 45.100 -0.035 0.000 0.655 168 G HN 0.431 nan 8.290 nan 0.000 0.533 169 K N 0.168 120.577 120.400 0.015 0.000 2.203 169 K HA 0.488 4.808 4.320 -0.000 0.000 0.251 169 K C 0.157 176.762 176.600 0.009 0.000 0.944 169 K CA -0.970 55.329 56.287 0.019 0.000 0.829 169 K CB 1.432 33.971 32.500 0.064 0.000 1.125 169 K HN -0.067 nan 8.250 nan 0.000 0.430 170 K N 1.243 121.622 120.400 -0.035 0.000 2.202 170 K HA 0.117 4.437 4.320 -0.000 0.000 0.264 170 K C 0.235 176.860 176.600 0.041 0.000 1.010 170 K CA -0.051 56.209 56.287 -0.045 0.000 0.940 170 K CB 1.146 33.546 32.500 -0.168 0.000 0.983 170 K HN 0.826 nan 8.250 nan 0.000 0.475 171 S N -0.364 115.391 115.700 0.091 0.000 2.563 171 S HA 0.274 4.744 4.470 -0.000 0.000 0.284 171 S C 1.154 175.964 174.600 0.349 0.000 1.331 171 S CA 0.304 58.602 58.200 0.164 0.000 1.047 171 S CB 0.650 63.984 63.200 0.222 0.000 0.859 171 S HN 0.868 nan 8.310 nan 0.000 0.514 172 G N 1.262 110.249 108.800 0.311 0.000 2.254 172 G HA2 -0.308 3.651 3.960 -0.000 0.000 0.225 172 G HA3 -0.308 3.651 3.960 -0.000 0.000 0.225 172 G C 0.782 175.815 174.900 0.221 0.000 1.003 172 G CA 0.659 46.004 45.100 0.409 0.000 0.622 172 G HN 1.887 nan 8.290 nan 0.000 0.507 173 S N -0.205 115.576 115.700 0.136 0.000 2.539 173 S HA 0.532 5.002 4.470 -0.000 0.000 0.221 173 S C 1.955 176.589 174.600 0.057 0.000 0.987 173 S CA 0.719 58.966 58.200 0.078 0.000 0.929 173 S CB 0.198 63.422 63.200 0.039 0.000 0.832 173 S HN 0.377 nan 8.310 nan 0.000 0.492 174 L N 1.214 122.471 121.223 0.056 0.000 2.145 174 L HA 0.395 4.735 4.340 -0.000 0.000 0.201 174 L C 1.862 178.741 176.870 0.014 0.000 1.075 174 L CA 0.880 55.736 54.840 0.026 0.000 0.773 174 L CB -0.742 41.309 42.059 -0.012 0.000 0.936 174 L HN 0.469 nan 8.230 nan 0.000 0.451 175 G N -1.595 107.214 108.800 0.015 0.000 2.583 175 G HA2 0.074 4.034 3.960 -0.000 0.000 0.280 175 G HA3 0.074 4.034 3.960 -0.000 0.000 0.280 175 G C 0.063 174.972 174.900 0.015 0.000 1.376 175 G CA -0.253 44.847 45.100 -0.000 0.000 1.043 175 G HN -0.021 nan 8.290 nan 0.000 0.538 176 D N -1.278 119.128 120.400 0.009 0.000 2.144 176 D HA -0.071 4.569 4.640 -0.000 0.000 0.199 176 D C 1.189 177.510 176.300 0.035 0.000 0.984 176 D CA 1.724 55.738 54.000 0.022 0.000 0.834 176 D CB -0.034 40.774 40.800 0.014 0.000 0.955 176 D HN 0.452 nan 8.370 nan 0.000 0.465 177 C N -1.985 117.328 119.300 0.022 0.000 3.320 177 C HA 0.862 5.322 4.460 -0.000 0.000 0.335 177 C C -1.321 173.675 174.990 0.011 0.000 1.430 177 C CA -0.867 58.175 59.018 0.039 0.000 1.271 177 C CB 1.595 29.360 27.740 0.042 0.000 1.609 177 C HN 0.211 nan 8.230 nan 0.000 0.457 178 A N 0.663 123.503 122.820 0.033 0.000 2.572 178 A HA 0.971 5.291 4.320 -0.000 0.000 0.295 178 A C -0.392 177.154 177.584 -0.063 0.000 1.072 178 A CA 0.280 52.286 52.037 -0.052 0.000 0.691 178 A CB 1.416 20.424 19.000 0.012 0.000 1.291 178 A HN 2.264 nan 8.150 nan 0.000 0.404 179 T N -1.192 113.200 114.554 -0.269 0.000 2.887 179 T HA 0.852 5.202 4.350 -0.000 0.000 0.288 179 T C -0.849 173.548 174.700 -0.505 0.000 1.021 179 T CA -0.480 61.488 62.100 -0.219 0.000 1.000 179 T CB 0.928 69.685 68.868 -0.185 0.000 1.034 179 T HN 0.462 nan 8.240 nan 0.000 0.467 180 F N 0.417 120.249 119.950 -0.197 0.000 2.603 180 F HA 0.723 5.250 4.527 -0.000 0.000 0.317 180 F C 0.397 175.828 175.800 -0.615 0.000 1.066 180 F CA -0.937 56.878 58.000 -0.308 0.000 0.941 180 F CB 2.556 41.423 39.000 -0.222 0.000 1.291 180 F HN 0.747 nan 8.300 nan 0.000 0.472 181 S N 0.875 116.318 115.700 -0.429 0.000 2.503 181 S HA 0.669 5.139 4.470 -0.000 0.000 0.301 181 S C -0.963 173.295 174.600 -0.572 0.000 1.087 181 S CA -0.371 57.532 58.200 -0.496 0.000 1.042 181 S CB 0.452 63.488 63.200 -0.273 0.000 1.043 181 S HN 0.420 nan 8.310 nan 0.000 0.489 182 F N 3.677 123.683 119.950 0.094 0.000 2.850 182 F HA 0.395 4.927 4.527 0.009 0.000 0.329 182 F C 0.034 175.882 175.800 0.080 0.000 1.182 182 F CA -1.391 56.659 58.000 0.083 0.000 1.270 182 F CB -0.332 38.714 39.000 0.077 0.000 0.979 182 F HN 0.570 nan 8.300 nan 0.000 0.506 183 F N 1.014 120.993 119.950 0.048 0.000 2.589 183 F HA 0.370 4.896 4.527 -0.001 0.000 0.352 183 F C 1.730 177.575 175.800 0.075 0.000 1.168 183 F CA 0.226 58.243 58.000 0.030 0.000 1.353 183 F CB 0.850 39.821 39.000 -0.049 0.000 1.116 183 F HN 0.227 nan 8.300 nan 0.000 0.608 184 G N 3.309 111.429 108.800 -1.134 0.000 2.550 184 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.222 184 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.222 184 G C 0.406 175.121 174.900 -0.308 0.000 1.113 184 G CA 1.195 45.893 45.100 -0.670 0.000 0.748 184 G HN 0.827 nan 8.290 nan 0.000 0.585 188 I N -0.342 120.388 120.570 0.267 0.000 2.474 188 I HA 0.671 4.841 4.170 -0.000 0.000 0.294 188 I C -0.613 175.653 176.117 0.248 0.000 1.005 188 I CA -0.128 61.303 61.300 0.218 0.000 1.113 188 I CB 2.044 40.145 38.000 0.167 0.000 1.289 188 I HN 0.003 nan 8.210 nan 0.000 0.436 189 T N 2.822 117.434 114.554 0.097 0.000 2.932 189 T HA 0.597 4.947 4.350 -0.000 0.000 0.289 189 T C 0.433 175.133 174.700 -0.000 0.000 1.039 189 T CA 0.160 62.311 62.100 0.085 0.000 1.024 189 T CB 1.508 70.368 68.868 -0.012 0.000 1.090 189 T HN 0.891 nan 8.240 nan 0.000 0.496 190 T N -0.905 113.677 114.554 0.046 0.000 3.192 190 T HA 0.488 4.838 4.350 -0.000 0.000 0.295 190 T C 1.398 176.095 174.700 -0.005 0.000 0.947 190 T CA 0.712 62.798 62.100 -0.024 0.000 0.916 190 T CB -0.001 68.862 68.868 -0.009 0.000 1.169 190 T HN 1.353 nan 8.240 nan 0.000 0.540 191 G N 1.506 110.288 108.800 -0.030 0.000 3.586 191 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.212 191 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.212 191 G C -0.342 174.531 174.900 -0.045 0.000 1.411 191 G CA 0.143 45.195 45.100 -0.079 0.000 0.898 191 G HN 0.666 nan 8.290 nan 0.000 0.575 192 E N 0.718 120.963 120.200 0.076 0.000 2.308 192 E HA 0.600 4.950 4.350 -0.000 0.000 0.275 192 E C -0.111 176.603 176.600 0.189 0.000 0.890 192 E CA 0.203 56.708 56.400 0.175 0.000 0.754 192 E CB 1.731 31.533 29.700 0.170 0.000 1.207 192 E HN 1.562 nan 8.360 nan 0.000 0.426 193 G N 0.231 109.163 108.800 0.220 0.000 2.377 193 G HA2 0.541 4.501 3.960 -0.000 0.000 0.297 193 G HA3 0.541 4.501 3.960 -0.000 0.000 0.297 193 G C -1.052 173.940 174.900 0.154 0.000 1.547 193 G CA -0.067 45.210 45.100 0.294 0.000 0.833 193 G HN 0.628 nan 8.290 nan 0.000 0.583 194 G N -1.257 107.620 108.800 0.129 0.000 2.649 194 G HA2 0.824 4.784 3.960 -0.000 0.000 0.290 194 G HA3 0.824 4.784 3.960 -0.000 0.000 0.290 194 G C -1.408 173.457 174.900 -0.059 0.000 1.426 194 G CA -0.293 44.669 45.100 -0.230 0.000 0.794 194 G HN 1.375 nan 8.290 nan 0.000 0.483 195 M N -0.154 119.349 119.600 -0.161 0.000 2.465 195 M HA 0.703 5.183 4.480 -0.000 0.000 0.284 195 M C -1.949 174.398 176.300 0.079 0.000 1.212 195 M CA -0.546 54.730 55.300 -0.039 0.000 0.910 195 M CB 2.142 34.602 32.600 -0.232 0.000 1.725 195 M HN 0.429 nan 8.290 nan 0.000 0.477 196 I N 2.318 122.949 120.570 0.101 0.000 2.441 196 I HA 0.589 4.759 4.170 -0.000 0.000 0.295 196 I C -0.417 175.833 176.117 0.223 0.000 0.994 196 I CA -0.793 60.597 61.300 0.150 0.000 1.144 196 I CB 2.158 40.212 38.000 0.090 0.000 1.314 196 I HN 0.786 nan 8.210 nan 0.000 0.445 197 T N 0.938 115.674 114.554 0.303 0.000 2.856 197 T HA 0.709 5.059 4.350 -0.000 0.000 0.283 197 T C -0.424 174.403 174.700 0.211 0.000 1.008 197 T CA -0.695 61.583 62.100 0.297 0.000 0.997 197 T CB 2.151 71.260 68.868 0.402 0.000 0.992 197 T HN 0.684 nan 8.240 nan 0.000 0.454 198 T N 0.757 115.431 114.554 0.199 0.000 2.802 198 T HA 0.408 4.758 4.350 -0.000 0.000 0.311 198 T C -0.377 174.445 174.700 0.204 0.000 1.405 198 T CA -0.741 61.462 62.100 0.172 0.000 1.016 198 T CB 1.556 70.510 68.868 0.144 0.000 1.352 198 T HN 0.528 nan 8.240 nan 0.000 0.498 199 N N 1.231 120.027 118.700 0.160 0.000 2.205 199 N HA 0.105 4.845 4.740 -0.000 0.000 0.201 199 N C -0.450 175.199 175.510 0.232 0.000 1.128 199 N CA -0.037 53.099 53.050 0.143 0.000 0.867 199 N CB 0.430 38.951 38.487 0.057 0.000 0.996 199 N HN 0.617 nan 8.380 nan 0.000 0.503 200 D N 1.639 122.164 120.400 0.207 0.000 2.352 200 D HA 0.015 4.655 4.640 -0.000 0.000 0.245 200 D C 0.342 176.690 176.300 0.081 0.000 1.224 200 D CA -0.156 53.924 54.000 0.134 0.000 0.879 200 D CB 0.937 41.779 40.800 0.070 0.000 1.057 200 D HN -0.030 nan 8.370 nan 0.000 0.491 201 D N 3.130 123.596 120.400 0.110 0.000 2.133 201 D HA -0.196 4.444 4.640 -0.000 0.000 0.192 201 D C 1.113 177.346 176.300 -0.112 0.000 1.001 201 D CA 1.187 55.170 54.000 -0.029 0.000 0.844 201 D CB 0.217 41.056 40.800 0.064 0.000 0.944 201 D HN 0.531 nan 8.370 nan 0.000 0.447 202 D N -0.133 120.246 120.400 -0.035 0.000 2.117 202 D HA -0.103 4.537 4.640 -0.000 0.000 0.198 202 D C 2.136 178.412 176.300 -0.040 0.000 0.982 202 D CA 0.233 54.214 54.000 -0.032 0.000 0.828 202 D CB -0.363 40.434 40.800 -0.005 0.000 0.967 202 D HN 0.091 nan 8.370 nan 0.000 0.464 203 L N 0.947 122.154 121.223 -0.027 0.000 2.046 203 L HA -0.060 4.280 4.340 -0.000 0.000 0.208 203 L C 2.094 178.941 176.870 -0.039 0.000 1.077 203 L CA 1.620 56.451 54.840 -0.014 0.000 0.747 203 L CB -0.915 41.150 42.059 0.011 0.000 0.896 203 L HN -0.030 nan 8.230 nan 0.000 0.432 204 A N -0.658 122.096 122.820 -0.110 0.000 1.902 204 A HA -0.097 4.223 4.320 -0.000 0.000 0.217 204 A C 2.444 179.958 177.584 -0.117 0.000 1.181 204 A CA 1.779 53.722 52.037 -0.157 0.000 0.623 204 A CB -1.108 17.611 19.000 -0.469 0.000 0.818 204 A HN 0.537 nan 8.150 nan 0.000 0.443 205 A N -0.524 122.220 122.820 -0.126 0.000 1.933 205 A HA -0.132 4.187 4.320 -0.000 0.000 0.218 205 A C 2.073 179.637 177.584 -0.033 0.000 1.175 205 A CA 2.276 54.269 52.037 -0.072 0.000 0.628 205 A CB -0.349 18.613 19.000 -0.062 0.000 0.814 205 A HN 0.422 nan 8.150 nan 0.000 0.444 206 K N -0.448 119.938 120.400 -0.023 0.000 2.062 206 K HA 0.054 4.373 4.320 -0.000 0.000 0.205 206 K C 1.943 178.554 176.600 0.019 0.000 1.051 206 K CA 1.592 57.878 56.287 -0.001 0.000 0.941 206 K CB -0.403 32.100 32.500 0.005 0.000 0.719 206 K HN 0.500 nan 8.250 nan 0.000 0.440 207 M N -0.074 119.540 119.600 0.024 0.000 2.080 207 M HA -0.193 4.287 4.480 -0.000 0.000 0.260 207 M C 2.118 178.456 176.300 0.063 0.000 1.068 207 M CA 1.800 57.133 55.300 0.056 0.000 1.109 207 M CB -0.261 32.369 32.600 0.049 0.000 1.342 207 M HN 0.054 nan 8.290 nan 0.000 0.405 208 R N 0.006 120.527 120.500 0.035 0.000 2.091 208 R HA -0.178 4.162 4.340 -0.000 0.000 0.238 208 R C 2.174 178.495 176.300 0.035 0.000 1.136 208 R CA 1.320 57.443 56.100 0.039 0.000 0.959 208 R CB -0.729 29.582 30.300 0.017 0.000 0.856 208 R HN 0.269 nan 8.270 nan 0.000 0.437 209 L N 1.146 122.379 121.223 0.016 0.000 1.976 209 L HA -0.158 4.182 4.340 -0.000 0.000 0.209 209 L C 2.008 178.880 176.870 0.004 0.000 1.071 209 L CA 1.723 56.563 54.840 -0.001 0.000 0.746 209 L CB -0.469 41.582 42.059 -0.013 0.000 0.890 209 L HN 0.120 nan 8.230 nan 0.000 0.432 210 L N -0.568 120.666 121.223 0.018 0.000 2.131 210 L HA -0.192 4.148 4.340 -0.000 0.000 0.210 210 L C 2.790 179.723 176.870 0.105 0.000 1.092 210 L CA 1.458 56.304 54.840 0.010 0.000 0.759 210 L CB -0.626 41.492 42.059 0.099 0.000 0.903 210 L HN 0.368 nan 8.230 nan 0.000 0.435 211 R N 0.815 121.406 120.500 0.151 0.000 2.120 211 R HA -0.101 4.239 4.340 -0.000 0.000 0.234 211 R C 1.242 177.618 176.300 0.127 0.000 1.123 211 R CA 1.307 57.523 56.100 0.193 0.000 0.975 211 R CB -0.213 30.201 30.300 0.189 0.000 0.866 211 R HN 0.334 nan 8.270 nan 0.000 0.446 212 G N 0.585 109.433 108.800 0.079 0.000 4.198 212 G HA2 0.075 4.035 3.960 -0.000 0.000 0.282 212 G HA3 0.075 4.035 3.960 -0.000 0.000 0.282 212 G C -0.318 174.622 174.900 0.066 0.000 1.262 212 G CA -0.370 44.769 45.100 0.065 0.000 1.473 212 G HN 0.313 nan 8.290 nan 0.000 0.624 213 Q N -0.641 119.193 119.800 0.058 0.000 2.439 213 Q HA -0.256 4.084 4.340 -0.000 0.000 0.247 213 Q C 1.552 177.632 176.000 0.133 0.000 0.899 213 Q CA 1.315 57.166 55.803 0.080 0.000 1.201 213 Q CB -1.837 27.016 28.738 0.193 0.000 1.608 213 Q HN 1.694 nan 8.270 nan 0.000 0.563 214 G N 0.466 109.284 108.800 0.031 0.000 2.179 214 G HA2 -0.361 3.598 3.960 -0.000 0.000 0.257 214 G HA3 -0.361 3.598 3.960 -0.000 0.000 0.257 214 G C 0.102 175.020 174.900 0.030 0.000 1.010 214 G CA 0.775 45.883 45.100 0.012 0.000 0.736 214 G HN 0.393 nan 8.290 nan 0.000 0.513 215 M N 1.098 120.644 119.600 -0.090 0.000 2.211 215 M HA 0.278 4.758 4.480 -0.000 0.000 0.356 215 M C 0.195 176.312 176.300 -0.305 0.000 1.216 215 M CA -0.551 54.417 55.300 -0.554 0.000 1.134 215 M CB 0.472 32.644 32.600 -0.714 0.000 1.564 215 M HN 0.152 nan 8.290 nan 0.000 0.463 216 D N 6.926 127.162 120.400 -0.272 0.000 2.412 216 D HA 0.040 4.680 4.640 -0.000 0.000 0.257 216 D C -1.661 174.567 176.300 -0.121 0.000 1.217 216 D CA -1.439 52.500 54.000 -0.102 0.000 0.897 216 D CB 1.042 41.859 40.800 0.028 0.000 1.132 216 D HN 0.368 nan 8.370 nan 0.000 0.493 217 P HA -0.094 nan 4.420 nan 0.000 0.225 217 P C 0.358 177.616 177.300 -0.070 0.000 1.148 217 P CA 0.722 63.776 63.100 -0.076 0.000 0.779 217 P CB 0.466 32.138 31.700 -0.046 0.000 0.780 218 N N -0.567 118.097 118.700 -0.059 0.000 2.236 218 N HA 0.038 4.778 4.740 -0.000 0.000 0.196 218 N C 0.507 175.978 175.510 -0.065 0.000 1.114 218 N CA 0.142 53.159 53.050 -0.055 0.000 0.859 218 N CB 0.567 39.030 38.487 -0.041 0.000 0.982 218 N HN 0.201 nan 8.380 nan 0.000 0.493 219 R N 0.982 121.439 120.500 -0.071 0.000 2.713 219 R HA 0.222 4.561 4.340 -0.000 0.000 0.282 219 R C -0.780 175.466 176.300 -0.090 0.000 1.472 219 R CA -0.594 55.470 56.100 -0.060 0.000 1.060 219 R CB 0.916 31.185 30.300 -0.051 0.000 1.237 219 R HN -0.108 nan 8.270 nan 0.000 0.484 220 R N 2.939 123.323 120.500 -0.193 0.000 2.679 220 R HA -0.035 4.305 4.340 -0.000 0.000 0.268 220 R C -0.408 175.667 176.300 -0.376 0.000 1.044 220 R CA 0.865 56.691 56.100 -0.456 0.000 1.105 220 R CB 0.279 30.174 30.300 -0.675 0.000 0.989 220 R HN 0.758 nan 8.270 nan 0.000 0.447 221 Y N -0.978 119.274 120.300 -0.080 0.000 4.929 221 Y HA -0.294 4.257 4.550 0.001 0.000 0.253 221 Y C -0.402 175.545 175.900 0.079 0.000 0.946 221 Y CA 1.204 59.341 58.100 0.062 0.000 1.905 221 Y CB -2.053 36.498 38.460 0.151 0.000 1.400 221 Y HN 0.610 nan 8.280 nan 0.000 0.531 222 W N 1.492 122.640 121.300 -0.253 0.000 2.478 222 W HA 0.574 5.233 4.660 -0.001 0.000 0.318 222 W C -1.262 175.029 176.519 -0.379 0.000 1.062 222 W CA -0.917 56.349 57.345 -0.132 0.000 1.210 222 W CB 0.886 30.301 29.460 -0.075 0.000 1.325 222 W HN -0.157 nan 8.180 nan 0.000 0.496 223 F N 7.251 126.783 119.950 -0.697 0.000 2.532 223 F HA 0.247 4.772 4.527 -0.004 0.000 0.365 223 F C -1.207 174.295 175.800 -0.495 0.000 1.112 223 F CA -1.924 55.811 58.000 -0.442 0.000 1.082 223 F CB 0.918 39.724 39.000 -0.324 0.000 1.319 223 F HN 0.194 nan 8.300 nan 0.000 0.457 224 P HA 0.070 nan 4.420 nan 0.000 0.230 224 P C 0.076 177.357 177.300 -0.032 0.000 1.168 224 P CA 0.958 64.042 63.100 -0.027 0.000 0.793 224 P CB 0.930 32.690 31.700 0.100 0.000 0.851 225 I N -4.890 115.656 120.570 -0.040 0.000 3.264 225 I HA 0.490 4.660 4.170 -0.000 0.000 0.315 225 I C -0.752 175.301 176.117 -0.107 0.000 1.154 225 I CA -1.764 59.495 61.300 -0.069 0.000 0.962 225 I CB 2.190 40.146 38.000 -0.074 0.000 1.265 225 I HN -0.483 nan 8.210 nan 0.000 0.463 226 V N 2.568 122.383 119.914 -0.165 0.000 2.427 226 V HA 0.615 4.735 4.120 -0.000 0.000 0.268 226 V C 0.768 176.601 176.094 -0.435 0.000 1.046 226 V CA 0.525 62.675 62.300 -0.251 0.000 0.970 226 V CB -0.034 31.655 31.823 -0.223 0.000 1.001 226 V HN 0.980 nan 8.190 nan 0.000 0.476 227 G N 3.652 112.173 108.800 -0.466 0.000 3.217 227 G HA2 0.802 4.762 3.960 -0.000 0.000 0.213 227 G HA3 0.802 4.762 3.960 -0.000 0.000 0.213 227 G C -1.388 172.967 174.900 -0.908 0.000 1.294 227 G CA -0.513 44.155 45.100 -0.720 0.000 0.987 227 G HN 0.384 nan 8.290 nan 0.000 0.584 228 F N -1.491 118.300 119.950 -0.264 0.000 2.664 228 F HA 0.491 5.016 4.527 -0.004 0.000 0.329 228 F C -0.141 175.448 175.800 -0.352 0.000 1.090 228 F CA -1.246 56.466 58.000 -0.480 0.000 0.978 228 F CB 1.896 40.223 39.000 -1.122 0.000 1.378 228 F HN 0.281 nan 8.300 nan 0.000 0.495 229 N N 0.707 119.330 118.700 -0.128 0.000 2.817 229 N HA 0.165 4.905 4.740 -0.000 0.000 0.234 229 N C -1.235 174.375 175.510 0.166 0.000 1.066 229 N CA -0.093 52.969 53.050 0.020 0.000 0.926 229 N CB -0.173 38.345 38.487 0.052 0.000 1.176 229 N HN 0.445 nan 8.380 nan 0.000 0.506 230 Y N 1.201 121.578 120.300 0.128 0.000 2.716 230 Y HA 0.361 4.907 4.550 -0.006 0.000 0.260 230 Y C 0.460 176.412 175.900 0.087 0.000 1.141 230 Y CA -0.682 57.470 58.100 0.086 0.000 1.168 230 Y CB -0.028 38.469 38.460 0.062 0.000 1.189 230 Y HN 0.171 nan 8.280 nan 0.000 0.549 231 R N 0.610 121.249 120.500 0.231 0.000 2.641 231 R HA 0.318 4.658 4.340 -0.000 0.000 0.269 231 R C 0.237 176.634 176.300 0.161 0.000 1.074 231 R CA -0.269 55.936 56.100 0.174 0.000 1.133 231 R CB 0.972 31.356 30.300 0.140 0.000 1.029 231 R HN 0.192 nan 8.270 nan 0.000 0.488 232 M N 1.293 120.987 119.600 0.157 0.000 2.342 232 M HA 0.193 4.672 4.480 -0.000 0.000 0.332 232 M C -0.120 176.268 176.300 0.147 0.000 1.166 232 M CA -0.277 55.118 55.300 0.158 0.000 1.086 232 M CB 1.558 34.273 32.600 0.191 0.000 1.541 232 M HN 0.762 nan 8.290 nan 0.000 0.462 233 T N 0.034 114.665 114.554 0.130 0.000 2.902 233 T HA 0.242 4.592 4.350 -0.000 0.000 0.280 233 T C 0.719 175.501 174.700 0.136 0.000 0.992 233 T CA -0.760 61.413 62.100 0.123 0.000 1.015 233 T CB 0.912 69.837 68.868 0.095 0.000 1.044 233 T HN 0.805 nan 8.240 nan 0.000 0.520 234 N N 0.394 119.194 118.700 0.168 0.000 2.192 234 N HA -0.080 4.660 4.740 -0.000 0.000 0.188 234 N C 1.548 177.128 175.510 0.115 0.000 1.013 234 N CA 1.215 54.394 53.050 0.214 0.000 0.863 234 N CB -0.618 38.049 38.487 0.301 0.000 0.990 234 N HN 0.712 nan 8.380 nan 0.000 0.430 235 I N 0.171 120.777 120.570 0.060 0.000 2.286 235 I HA -0.248 3.922 4.170 -0.000 0.000 0.245 235 I C 2.123 178.189 176.117 -0.085 0.000 1.104 235 I CA 0.843 62.123 61.300 -0.033 0.000 1.397 235 I CB -0.245 37.755 38.000 -0.000 0.000 1.072 235 I HN 0.214 nan 8.210 nan 0.000 0.417 236 Q N 0.762 120.547 119.800 -0.025 0.000 2.096 236 Q HA -0.208 4.132 4.340 -0.000 0.000 0.204 236 Q C 2.438 178.352 176.000 -0.144 0.000 0.982 236 Q CA 1.947 57.723 55.803 -0.044 0.000 0.850 236 Q CB -0.361 28.406 28.738 0.048 0.000 0.901 236 Q HN 0.569 nan 8.270 nan 0.000 0.422 237 A N 1.056 123.835 122.820 -0.069 0.000 1.933 237 A HA -0.121 4.199 4.320 -0.000 0.000 0.218 237 A C 2.307 179.663 177.584 -0.379 0.000 1.175 237 A CA 1.531 53.487 52.037 -0.135 0.000 0.628 237 A CB -0.870 18.240 19.000 0.184 0.000 0.814 237 A HN 0.403 nan 8.150 nan 0.000 0.444 238 A N 0.203 122.801 122.820 -0.370 0.000 1.865 238 A HA -0.141 4.179 4.320 -0.000 0.000 0.217 238 A C 2.127 179.468 177.584 -0.405 0.000 1.191 238 A CA 1.663 53.248 52.037 -0.754 0.000 0.623 238 A CB -0.691 17.711 19.000 -0.997 0.000 0.826 238 A HN 0.501 nan 8.150 nan 0.000 0.444 239 I N -0.338 120.027 120.570 -0.341 0.000 2.226 239 I HA -0.216 3.954 4.170 -0.000 0.000 0.245 239 I C 2.684 178.564 176.117 -0.394 0.000 1.100 239 I CA 1.164 62.298 61.300 -0.278 0.000 1.374 239 I CB -0.659 37.215 38.000 -0.210 0.000 1.057 239 I HN 0.417 nan 8.210 nan 0.000 0.413 240 G N 0.913 109.303 108.800 -0.684 0.000 2.422 240 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.218 240 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.218 240 G C 1.654 175.940 174.900 -1.023 0.000 1.146 240 G CA 0.463 44.882 45.100 -1.134 0.000 0.769 240 G HN 0.240 nan 8.290 nan 0.000 0.547 241 L N 1.353 122.071 121.223 -0.841 0.000 2.017 241 L HA 0.095 4.435 4.340 -0.000 0.000 0.208 241 L C 3.093 179.972 176.870 0.014 0.000 1.073 241 L CA 2.198 56.916 54.840 -0.202 0.000 0.745 241 L CB -0.671 41.409 42.059 0.035 0.000 0.894 241 L HN 0.234 nan 8.230 nan 0.000 0.432 242 A N -1.344 121.487 122.820 0.018 0.000 1.877 242 A HA -0.228 4.092 4.320 -0.000 0.000 0.216 242 A C 2.189 179.738 177.584 -0.058 0.000 1.186 242 A CA 1.675 53.681 52.037 -0.053 0.000 0.620 242 A CB -0.566 18.301 19.000 -0.222 0.000 0.822 242 A HN 0.601 nan 8.150 nan 0.000 0.443 243 Q N -1.071 118.680 119.800 -0.083 0.000 2.084 243 Q HA -0.151 4.189 4.340 -0.000 0.000 0.202 243 Q C 2.130 178.144 176.000 0.024 0.000 0.978 243 Q CA 1.456 57.262 55.803 0.005 0.000 0.844 243 Q CB -0.516 28.184 28.738 -0.064 0.000 0.898 243 Q HN 0.585 nan 8.270 nan 0.000 0.426 244 L N 1.505 122.714 121.223 -0.023 0.000 2.141 244 L HA -0.130 4.210 4.340 -0.000 0.000 0.209 244 L C 1.852 178.689 176.870 -0.055 0.000 1.094 244 L CA 1.653 56.478 54.840 -0.025 0.000 0.763 244 L CB -0.353 41.773 42.059 0.112 0.000 0.908 244 L HN 0.152 nan 8.230 nan 0.000 0.437 245 E N -0.567 119.628 120.200 -0.009 0.000 2.209 245 E HA -0.205 4.145 4.350 -0.000 0.000 0.196 245 E C 1.418 177.979 176.600 -0.065 0.000 0.993 245 E CA 1.025 57.418 56.400 -0.010 0.000 0.819 245 E CB -0.006 29.706 29.700 0.020 0.000 0.745 245 E HN 0.468 nan 8.360 nan 0.000 0.477 246 R N -0.064 120.371 120.500 -0.109 0.000 2.546 246 R HA 0.123 4.462 4.340 -0.000 0.000 0.320 246 R C 1.632 177.758 176.300 -0.290 0.000 1.021 246 R CA -0.205 55.740 56.100 -0.258 0.000 1.088 246 R CB 0.601 30.636 30.300 -0.442 0.000 1.278 246 R HN -0.016 nan 8.270 nan 0.000 0.557 247 V N 1.297 121.137 119.914 -0.123 0.000 2.252 247 V HA -0.332 3.788 4.120 -0.000 0.000 0.249 247 V C 1.515 177.611 176.094 0.004 0.000 1.056 247 V CA 2.243 64.515 62.300 -0.046 0.000 1.022 247 V CB -0.047 31.652 31.823 -0.206 0.000 0.641 247 V HN 0.361 nan 8.190 nan 0.000 0.445 248 D N -0.768 119.631 120.400 -0.002 0.000 2.123 248 D HA -0.196 4.444 4.640 -0.000 0.000 0.196 248 D C 2.185 178.487 176.300 0.003 0.000 0.992 248 D CA 1.714 55.740 54.000 0.044 0.000 0.833 248 D CB -0.097 40.730 40.800 0.045 0.000 0.954 248 D HN 0.632 nan 8.370 nan 0.000 0.455 249 E N -0.521 119.625 120.200 -0.089 0.000 2.077 249 E HA -0.167 4.183 4.350 -0.000 0.000 0.193 249 E C 2.064 178.630 176.600 -0.056 0.000 0.989 249 E CA 0.790 57.120 56.400 -0.117 0.000 0.800 249 E CB 0.093 29.659 29.700 -0.224 0.000 0.746 249 E HN 0.398 nan 8.360 nan 0.000 0.452 250 H N 0.049 119.147 119.070 0.048 0.000 2.428 250 H HA -0.032 4.523 4.556 -0.001 0.000 0.296 250 H C 2.244 177.625 175.328 0.089 0.000 1.062 250 H CA 0.714 56.803 56.048 0.069 0.000 1.350 250 H CB -0.192 29.619 29.762 0.081 0.000 1.403 250 H HN 0.177 nan 8.280 nan 0.000 0.533 251 L N 0.102 121.444 121.223 0.199 0.000 2.046 251 L HA -0.139 4.200 4.340 -0.000 0.000 0.208 251 L C 2.748 179.689 176.870 0.119 0.000 1.077 251 L CA 0.966 55.914 54.840 0.181 0.000 0.747 251 L CB -0.501 41.667 42.059 0.182 0.000 0.896 251 L HN 0.229 nan 8.230 nan 0.000 0.432 252 A N 0.088 122.952 122.820 0.073 0.000 1.883 252 A HA -0.230 4.090 4.320 -0.000 0.000 0.217 252 A C 2.537 180.116 177.584 -0.008 0.000 1.186 252 A CA 1.875 53.926 52.037 0.023 0.000 0.624 252 A CB -0.771 18.232 19.000 0.006 0.000 0.822 252 A HN 0.428 nan 8.150 nan 0.000 0.444 253 A N 0.453 123.288 122.820 0.025 0.000 1.892 253 A HA -0.249 4.070 4.320 -0.000 0.000 0.218 253 A C 2.222 179.779 177.584 -0.045 0.000 1.188 253 A CA 1.878 53.914 52.037 -0.001 0.000 0.631 253 A CB -0.591 18.458 19.000 0.081 0.000 0.822 253 A HN 0.657 nan 8.150 nan 0.000 0.447 254 R N -0.498 120.022 120.500 0.034 0.000 2.092 254 R HA -0.067 4.272 4.340 -0.000 0.000 0.231 254 R C 2.066 178.336 176.300 -0.050 0.000 1.119 254 R CA 1.182 57.303 56.100 0.035 0.000 0.970 254 R CB -0.451 29.943 30.300 0.157 0.000 0.864 254 R HN 0.639 nan 8.270 nan 0.000 0.440 255 E N 1.275 121.451 120.200 -0.040 0.000 2.058 255 E HA -0.250 4.099 4.350 -0.000 0.000 0.194 255 E C 2.141 178.593 176.600 -0.247 0.000 0.997 255 E CA 1.436 57.781 56.400 -0.093 0.000 0.801 255 E CB -0.001 29.674 29.700 -0.042 0.000 0.746 255 E HN 0.205 nan 8.360 nan 0.000 0.450 256 R N 0.546 120.847 120.500 -0.332 0.000 2.091 256 R HA -0.142 4.197 4.340 -0.000 0.000 0.238 256 R C 2.154 177.846 176.300 -1.012 0.000 1.136 256 R CA 1.584 57.295 56.100 -0.649 0.000 0.959 256 R CB -0.579 29.362 30.300 -0.600 0.000 0.856 256 R HN -0.010 nan 8.270 nan 0.000 0.437 257 V N 0.257 119.768 119.914 -0.671 0.000 2.343 257 V HA -0.215 3.904 4.120 -0.000 0.000 0.247 257 V C 2.334 178.304 176.094 -0.207 0.000 1.051 257 V CA 1.810 63.881 62.300 -0.381 0.000 1.036 257 V CB -0.292 31.484 31.823 -0.079 0.000 0.654 257 V HN 0.273 nan 8.190 nan 0.000 0.451 258 V N 0.872 120.649 119.914 -0.228 0.000 2.515 258 V HA -0.140 3.980 4.120 -0.000 0.000 0.250 258 V C 2.585 178.546 176.094 -0.222 0.000 1.058 258 V CA 1.840 63.986 62.300 -0.257 0.000 1.064 258 V CB -1.473 30.015 31.823 -0.557 0.000 0.675 258 V HN 0.602 nan 8.190 nan 0.000 0.461 259 G N -0.200 108.411 108.800 -0.315 0.000 2.545 259 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.217 259 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.217 259 G C 1.255 176.057 174.900 -0.162 0.000 1.218 259 G CA 1.129 46.057 45.100 -0.287 0.000 0.787 259 G HN 0.486 nan 8.290 nan 0.000 0.571 260 W N 0.129 121.346 121.300 -0.138 0.000 2.304 260 W HA -0.126 4.534 4.660 0.001 0.000 0.315 260 W C 2.377 178.756 176.519 -0.233 0.000 1.233 260 W CA 0.961 58.189 57.345 -0.196 0.000 1.261 260 W CB -1.523 27.785 29.460 -0.253 0.000 1.150 260 W HN 0.281 nan 8.180 nan 0.000 0.494 261 Y N 0.681 120.903 120.300 -0.129 0.000 2.181 261 Y HA -0.217 4.333 4.550 0.001 0.000 0.288 261 Y C 2.494 178.292 175.900 -0.170 0.000 1.146 261 Y CA 2.026 59.933 58.100 -0.321 0.000 1.164 261 Y CB -0.836 37.051 38.460 -0.955 0.000 0.982 261 Y HN 0.094 nan 8.280 nan 0.000 0.515 262 E N -0.179 120.056 120.200 0.058 0.000 2.017 262 E HA -0.315 4.035 4.350 -0.000 0.000 0.193 262 E C 2.203 178.846 176.600 0.072 0.000 0.997 262 E CA 1.408 57.860 56.400 0.086 0.000 0.804 262 E CB -0.442 29.283 29.700 0.041 0.000 0.757 262 E HN 0.575 nan 8.360 nan 0.000 0.448 263 Q N 1.306 121.137 119.800 0.052 0.000 2.248 263 Q HA -0.218 4.122 4.340 -0.000 0.000 0.208 263 Q C 1.506 177.533 176.000 0.044 0.000 0.984 263 Q CA 1.593 57.428 55.803 0.053 0.000 0.875 263 Q CB 0.022 28.802 28.738 0.069 0.000 0.910 263 Q HN 0.162 nan 8.270 nan 0.000 0.433 264 K N -0.275 120.146 120.400 0.035 0.000 2.348 264 K HA 0.090 4.409 4.320 -0.000 0.000 0.194 264 K C 1.901 178.522 176.600 0.034 0.000 1.052 264 K CA 0.006 56.299 56.287 0.010 0.000 1.004 264 K CB 0.173 32.646 32.500 -0.045 0.000 0.873 264 K HN 0.083 nan 8.250 nan 0.000 0.523 265 L N 2.018 123.288 121.223 0.079 0.000 2.351 265 L HA -0.171 4.169 4.340 -0.000 0.000 0.220 265 L C 2.262 179.185 176.870 0.087 0.000 1.127 265 L CA 1.085 55.995 54.840 0.115 0.000 0.786 265 L CB -0.450 41.722 42.059 0.189 0.000 0.914 265 L HN 0.175 nan 8.230 nan 0.000 0.443 266 A N -0.351 122.510 122.820 0.068 0.000 1.948 266 A HA -0.327 3.993 4.320 -0.000 0.000 0.220 266 A C 2.433 180.043 177.584 0.043 0.000 1.177 266 A CA 2.032 54.101 52.037 0.054 0.000 0.636 266 A CB -0.679 18.346 19.000 0.042 0.000 0.815 266 A HN 0.509 nan 8.150 nan 0.000 0.449 267 R N -0.384 120.137 120.500 0.035 0.000 2.200 267 R HA -0.078 4.262 4.340 -0.000 0.000 0.234 267 R C 1.212 177.530 176.300 0.030 0.000 1.127 267 R CA 1.514 57.628 56.100 0.024 0.000 0.989 267 R CB -0.367 29.939 30.300 0.010 0.000 0.869 267 R HN 0.548 nan 8.270 nan 0.000 0.459 268 L N -0.456 120.795 121.223 0.046 0.000 2.585 268 L HA 0.286 4.626 4.340 -0.000 0.000 0.226 268 L C 1.587 178.485 176.870 0.047 0.000 1.113 268 L CA 0.160 55.029 54.840 0.049 0.000 0.876 268 L CB -0.071 42.027 42.059 0.065 0.000 1.072 268 L HN 0.438 nan 8.230 nan 0.000 0.468 269 G N 2.358 111.186 108.800 0.047 0.000 2.685 269 G HA2 -0.481 3.479 3.960 -0.000 0.000 0.329 269 G HA3 -0.481 3.479 3.960 -0.000 0.000 0.329 269 G C 0.857 175.784 174.900 0.045 0.000 1.271 269 G CA 0.860 45.985 45.100 0.042 0.000 1.003 269 G HN 0.518 nan 8.290 nan 0.000 0.549 270 N N 1.452 120.174 118.700 0.037 0.000 2.459 270 N HA -0.035 4.705 4.740 -0.000 0.000 0.181 270 N C 1.944 177.476 175.510 0.038 0.000 1.046 270 N CA 1.564 54.635 53.050 0.035 0.000 0.904 270 N CB -0.489 38.014 38.487 0.028 0.000 0.964 270 N HN 0.765 nan 8.380 nan 0.000 0.444 271 R N 0.317 120.841 120.500 0.040 0.000 2.152 271 R HA 0.011 4.351 4.340 -0.000 0.000 0.232 271 R C 0.817 177.147 176.300 0.049 0.000 1.117 271 R CA 1.059 57.184 56.100 0.041 0.000 0.981 271 R CB -0.177 30.146 30.300 0.039 0.000 0.870 271 R HN 0.341 nan 8.270 nan 0.000 0.451 272 V N -3.980 115.970 119.914 0.059 0.000 3.160 272 V HA 0.563 4.682 4.120 -0.000 0.000 0.310 272 V C -0.740 175.396 176.094 0.069 0.000 1.181 272 V CA -0.907 61.434 62.300 0.068 0.000 1.047 272 V CB 2.495 34.370 31.823 0.086 0.000 1.068 272 V HN -0.174 nan 8.190 nan 0.000 0.441 273 T N 2.435 117.032 114.554 0.072 0.000 2.864 273 T HA 0.444 4.793 4.350 -0.000 0.000 0.299 273 T C -0.317 174.428 174.700 0.075 0.000 1.011 273 T CA -0.698 61.443 62.100 0.068 0.000 0.975 273 T CB 0.944 69.843 68.868 0.052 0.000 0.962 273 T HN 1.095 nan 8.240 nan 0.000 0.448 274 K N 3.489 123.939 120.400 0.083 0.000 2.276 274 K HA 0.321 4.641 4.320 -0.000 0.000 0.259 274 K C -2.434 174.183 176.600 0.028 0.000 1.001 274 K CA -1.406 54.916 56.287 0.058 0.000 0.927 274 K CB -0.160 32.418 32.500 0.130 0.000 0.969 274 K HN 0.188 nan 8.250 nan 0.000 0.490 275 P HA -0.047 nan 4.420 nan 0.000 0.271 275 P C -0.958 176.431 177.300 0.148 0.000 1.233 275 P CA 0.142 63.288 63.100 0.077 0.000 0.764 275 P CB 0.344 32.071 31.700 0.044 0.000 0.825 276 H N 3.365 122.459 119.070 0.040 0.000 2.848 276 H HA 0.177 4.732 4.556 -0.001 0.000 0.341 276 H C -0.651 174.750 175.328 0.121 0.000 1.060 276 H CA 0.226 56.304 56.048 0.049 0.000 1.444 276 H CB 0.303 30.049 29.762 -0.026 0.000 1.446 276 H HN 0.049 nan 8.280 nan 0.000 0.583 277 V N 5.657 125.247 119.914 -0.539 0.000 2.334 277 V HA 0.445 4.565 4.120 -0.000 0.000 0.281 277 V C 0.389 176.191 176.094 -0.488 0.000 1.016 277 V CA -0.466 61.681 62.300 -0.255 0.000 0.832 277 V CB 0.635 32.468 31.823 0.016 0.000 0.999 277 V HN 1.075 nan 8.190 nan 0.000 0.439 278 A N 5.784 128.449 122.820 -0.259 0.000 2.445 278 A HA 0.543 4.862 4.320 -0.000 0.000 0.242 278 A C 0.419 177.981 177.584 -0.037 0.000 1.075 278 A CA -0.214 51.781 52.037 -0.070 0.000 0.777 278 A CB 0.155 19.192 19.000 0.062 0.000 1.013 278 A HN 0.907 nan 8.150 nan 0.000 0.493 279 L N 2.411 123.629 121.223 -0.008 0.000 2.990 279 L HA 0.214 4.554 4.340 -0.000 0.000 0.231 279 L C 0.951 177.791 176.870 -0.049 0.000 1.341 279 L CA 0.252 55.081 54.840 -0.017 0.000 1.208 279 L CB -1.014 41.042 42.059 -0.005 0.000 1.571 279 L HN 0.873 nan 8.230 nan 0.000 0.453 280 T N -3.581 110.934 114.554 -0.065 0.000 3.054 280 T HA 0.557 4.907 4.350 -0.000 0.000 0.255 280 T C 0.786 175.356 174.700 -0.217 0.000 1.035 280 T CA 0.205 62.185 62.100 -0.200 0.000 0.941 280 T CB 0.973 69.709 68.868 -0.219 0.000 1.026 280 T HN 0.592 nan 8.240 nan 0.000 0.533 281 G N 0.950 109.703 108.800 -0.078 0.000 2.340 281 G HA2 0.207 4.167 3.960 -0.000 0.000 0.282 281 G HA3 0.207 4.167 3.960 -0.000 0.000 0.282 281 G C -1.623 173.299 174.900 0.036 0.000 1.312 281 G CA -1.253 43.827 45.100 -0.033 0.000 0.942 281 G HN 0.347 nan 8.290 nan 0.000 0.495 282 R N 0.503 121.038 120.500 0.059 0.000 2.421 282 R HA 0.253 4.592 4.340 -0.000 0.000 0.305 282 R C -0.651 175.754 176.300 0.175 0.000 1.039 282 R CA -0.390 55.779 56.100 0.116 0.000 1.003 282 R CB 0.054 30.418 30.300 0.107 0.000 0.959 282 R HN 0.625 nan 8.270 nan 0.000 0.427 283 H N 5.111 124.234 119.070 0.088 0.000 2.597 283 H HA 0.094 4.651 4.556 0.002 0.000 0.303 283 H C 0.646 176.063 175.328 0.147 0.000 1.057 283 H CA -0.729 55.337 56.048 0.029 0.000 1.261 283 H CB 1.200 30.907 29.762 -0.092 0.000 1.397 283 H HN 0.439 nan 8.280 nan 0.000 0.461 284 V N 2.764 122.991 119.914 0.522 0.000 3.573 284 V HA 0.148 4.268 4.120 -0.000 0.000 0.270 284 V C 0.491 176.915 176.094 0.551 0.000 1.221 284 V CA -0.140 62.433 62.300 0.454 0.000 1.163 284 V CB -1.652 30.385 31.823 0.357 0.000 0.847 284 V HN 0.648 nan 8.190 nan 0.000 0.468 285 F N 0.290 120.556 119.950 0.527 0.000 2.526 285 F HA -0.215 4.314 4.527 0.003 0.000 0.225 285 F C 1.055 177.092 175.800 0.395 0.000 1.031 285 F CA 0.958 59.164 58.000 0.343 0.000 0.915 285 F CB -1.447 37.572 39.000 0.031 0.000 0.952 285 F HN 0.603 nan 8.300 nan 0.000 0.834 286 W N 2.209 123.743 121.300 0.391 0.000 2.363 286 W HA 0.091 4.759 4.660 0.013 0.000 0.296 286 W C 0.710 177.410 176.519 0.301 0.000 1.212 286 W CA 1.368 58.906 57.345 0.321 0.000 1.260 286 W CB 0.064 29.706 29.460 0.303 0.000 1.131 286 W HN 0.243 nan 8.180 nan 0.000 0.530 287 M N -1.104 118.575 119.600 0.131 0.000 2.520 287 M HA 0.158 4.637 4.480 -0.000 0.000 0.283 287 M C -1.893 174.458 176.300 0.085 0.000 1.237 287 M CA -1.041 54.171 55.300 -0.147 0.000 0.885 287 M CB 2.540 34.771 32.600 -0.615 0.000 1.727 287 M HN -0.215 nan 8.290 nan 0.000 0.468 288 Y N 1.309 121.546 120.300 -0.105 0.000 2.454 288 Y HA 0.437 4.987 4.550 -0.000 0.000 0.345 288 Y C -0.794 174.959 175.900 -0.245 0.000 0.970 288 Y CA -0.013 58.022 58.100 -0.109 0.000 1.204 288 Y CB 0.840 38.975 38.460 -0.541 0.000 1.122 288 Y HN 0.470 nan 8.280 nan 0.000 0.514 289 T N 6.725 121.028 114.554 -0.418 0.000 2.758 289 T HA 0.504 4.854 4.350 -0.000 0.000 0.285 289 T C -0.594 173.980 174.700 -0.210 0.000 0.981 289 T CA -0.616 61.236 62.100 -0.414 0.000 0.965 289 T CB 0.538 68.936 68.868 -0.782 0.000 0.927 289 T HN 0.515 nan 8.240 nan 0.000 0.448 290 V N 1.860 121.703 119.914 -0.118 0.000 2.815 290 V HA 0.730 4.850 4.120 -0.000 0.000 0.314 290 V C -0.478 175.660 176.094 0.074 0.000 1.064 290 V CA -1.360 60.944 62.300 0.007 0.000 0.952 290 V CB 1.784 33.632 31.823 0.041 0.000 1.020 290 V HN 0.744 nan 8.190 nan 0.000 0.439 291 R N 2.684 123.253 120.500 0.116 0.000 2.445 291 R HA 0.612 4.952 4.340 -0.000 0.000 0.308 291 R C -1.379 174.967 176.300 0.078 0.000 0.961 291 R CA -0.879 55.293 56.100 0.121 0.000 0.862 291 R CB 1.719 32.110 30.300 0.152 0.000 1.144 291 R HN 0.545 nan 8.270 nan 0.000 0.447 292 L N 1.552 122.813 121.223 0.063 0.000 2.417 292 L HA 0.245 4.584 4.340 -0.000 0.000 0.268 292 L C 1.219 178.117 176.870 0.047 0.000 1.158 292 L CA 0.165 55.035 54.840 0.051 0.000 0.819 292 L CB 0.747 42.831 42.059 0.042 0.000 1.112 292 L HN 0.729 nan 8.230 nan 0.000 0.458 293 G N 0.784 109.609 108.800 0.041 0.000 2.378 293 G HA2 0.162 4.121 3.960 -0.000 0.000 0.255 293 G HA3 0.162 4.121 3.960 -0.000 0.000 0.255 293 G C 0.736 175.655 174.900 0.031 0.000 1.270 293 G CA -0.229 44.892 45.100 0.035 0.000 0.876 293 G HN 0.882 nan 8.290 nan 0.000 0.521 294 E N 1.473 121.690 120.200 0.029 0.000 2.401 294 E HA -0.050 4.300 4.350 -0.000 0.000 0.199 294 E C 2.067 178.680 176.600 0.022 0.000 1.023 294 E CA 1.116 57.531 56.400 0.026 0.000 0.859 294 E CB -0.211 29.504 29.700 0.024 0.000 0.780 294 E HN 0.525 nan 8.360 nan 0.000 0.523 295 G N 1.225 110.038 108.800 0.021 0.000 2.403 295 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.216 295 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.216 295 G C 0.766 175.677 174.900 0.018 0.000 1.154 295 G CA -0.024 45.087 45.100 0.019 0.000 0.784 295 G HN 0.159 nan 8.290 nan 0.000 0.538 296 L N 1.381 122.616 121.223 0.021 0.000 2.536 296 L HA 0.002 4.342 4.340 -0.000 0.000 0.294 296 L C 1.747 178.627 176.870 0.017 0.000 1.257 296 L CA 0.201 55.053 54.840 0.020 0.000 0.850 296 L CB 0.851 42.924 42.059 0.023 0.000 1.105 296 L HN 0.221 nan 8.230 nan 0.000 0.517 297 S N -1.479 114.231 115.700 0.016 0.000 2.517 297 S HA 0.004 4.473 4.470 -0.000 0.000 0.214 297 S C 0.722 175.330 174.600 0.014 0.000 0.991 297 S CA -0.157 58.051 58.200 0.014 0.000 0.906 297 S CB 0.150 63.357 63.200 0.012 0.000 0.789 297 S HN 0.725 nan 8.310 nan 0.000 0.513 298 T N 3.678 118.241 114.554 0.015 0.000 2.899 298 T HA 0.416 4.766 4.350 -0.000 0.000 0.295 298 T C 0.241 174.951 174.700 0.017 0.000 1.033 298 T CA -0.101 62.008 62.100 0.015 0.000 1.084 298 T CB 0.655 69.533 68.868 0.016 0.000 0.979 298 T HN 0.499 nan 8.240 nan 0.000 0.532 299 T N 2.465 117.029 114.554 0.016 0.000 2.934 299 T HA 0.407 4.757 4.350 -0.000 0.000 0.283 299 T C 1.384 176.096 174.700 0.020 0.000 1.005 299 T CA -1.029 61.082 62.100 0.018 0.000 1.041 299 T CB 1.293 70.171 68.868 0.016 0.000 1.042 299 T HN 0.526 nan 8.240 nan 0.000 0.505 300 R N 0.596 121.110 120.500 0.024 0.000 2.103 300 R HA -0.151 4.189 4.340 -0.000 0.000 0.242 300 R C 1.159 177.472 176.300 0.022 0.000 1.142 300 R CA 2.050 58.165 56.100 0.024 0.000 0.960 300 R CB -0.888 29.429 30.300 0.029 0.000 0.858 300 R HN 0.746 nan 8.270 nan 0.000 0.439 301 D N 0.011 120.427 120.400 0.026 0.000 2.144 301 D HA -0.151 4.489 4.640 -0.000 0.000 0.200 301 D C 1.879 178.191 176.300 0.020 0.000 0.978 301 D CA 0.955 54.971 54.000 0.027 0.000 0.833 301 D CB -0.198 40.620 40.800 0.031 0.000 0.961 301 D HN 0.167 nan 8.370 nan 0.000 0.470 302 Q N 0.708 120.518 119.800 0.018 0.000 2.084 302 Q HA -0.086 4.254 4.340 -0.000 0.000 0.202 302 Q C 2.030 178.038 176.000 0.014 0.000 0.978 302 Q CA 0.958 56.770 55.803 0.015 0.000 0.844 302 Q CB -0.417 28.329 28.738 0.013 0.000 0.898 302 Q HN 0.105 nan 8.270 nan 0.000 0.426 303 V N 0.332 120.255 119.914 0.015 0.000 2.332 303 V HA -0.273 3.847 4.120 -0.000 0.000 0.248 303 V C 2.244 178.346 176.094 0.012 0.000 1.055 303 V CA 1.832 64.141 62.300 0.015 0.000 1.038 303 V CB -0.547 31.286 31.823 0.017 0.000 0.651 303 V HN 0.368 nan 8.190 nan 0.000 0.450 304 I N -0.372 120.204 120.570 0.010 0.000 2.163 304 I HA -0.274 3.896 4.170 -0.000 0.000 0.243 304 I C 2.602 178.724 176.117 0.009 0.000 1.085 304 I CA 1.681 62.984 61.300 0.006 0.000 1.347 304 I CB -0.384 37.619 38.000 0.005 0.000 1.044 304 I HN 0.285 nan 8.210 nan 0.000 0.408 305 K N 0.337 120.743 120.400 0.011 0.000 2.002 305 K HA -0.183 4.137 4.320 -0.000 0.000 0.209 305 K C 1.725 178.331 176.600 0.010 0.000 1.048 305 K CA 1.637 57.931 56.287 0.011 0.000 0.930 305 K CB -0.605 31.903 32.500 0.012 0.000 0.714 305 K HN 0.311 nan 8.250 nan 0.000 0.438 306 D N 1.465 121.871 120.400 0.010 0.000 2.116 306 D HA -0.159 4.481 4.640 -0.000 0.000 0.193 306 D C 2.094 178.399 176.300 0.008 0.000 0.998 306 D CA 1.141 55.146 54.000 0.009 0.000 0.836 306 D CB -0.398 40.407 40.800 0.010 0.000 0.951 306 D HN 0.168 nan 8.370 nan 0.000 0.449 307 L N 0.315 121.543 121.223 0.009 0.000 2.156 307 L HA -0.107 4.232 4.340 -0.000 0.000 0.208 307 L C 2.101 178.976 176.870 0.008 0.000 1.095 307 L CA 0.898 55.744 54.840 0.009 0.000 0.770 307 L CB -0.391 41.676 42.059 0.013 0.000 0.914 307 L HN -0.063 nan 8.230 nan 0.000 0.439 308 D N 0.694 121.099 120.400 0.007 0.000 2.178 308 D HA -0.158 4.482 4.640 -0.000 0.000 0.202 308 D C 2.177 178.481 176.300 0.006 0.000 0.974 308 D CA 1.231 55.236 54.000 0.007 0.000 0.841 308 D CB 0.219 41.023 40.800 0.008 0.000 0.953 308 D HN 0.220 nan 8.370 nan 0.000 0.478 309 A N 0.238 123.062 122.820 0.006 0.000 1.972 309 A HA -0.044 4.276 4.320 -0.000 0.000 0.219 309 A C 2.047 179.632 177.584 0.002 0.000 1.169 309 A CA 1.002 53.041 52.037 0.004 0.000 0.635 309 A CB -0.683 18.319 19.000 0.004 0.000 0.810 309 A HN 0.415 nan 8.150 nan 0.000 0.446 310 L N -1.278 119.946 121.223 0.002 0.000 2.645 310 L HA 0.316 4.656 4.340 -0.000 0.000 0.234 310 L C 1.357 178.226 176.870 -0.002 0.000 1.165 310 L CA 0.343 55.182 54.840 -0.002 0.000 0.944 310 L CB -0.892 41.165 42.059 -0.003 0.000 1.149 310 L HN 0.501 nan 8.230 nan 0.000 0.446 311 G N 1.244 110.044 108.800 0.001 0.000 2.136 311 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.242 311 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.242 311 G C 0.136 175.039 174.900 0.005 0.000 0.989 311 G CA -0.179 44.922 45.100 0.002 0.000 0.682 311 G HN 0.361 nan 8.290 nan 0.000 0.522 312 I N 0.969 121.544 120.570 0.007 0.000 2.328 312 I HA 0.364 4.534 4.170 -0.000 0.000 0.287 312 I C 0.465 176.589 176.117 0.012 0.000 1.012 312 I CA -0.811 60.496 61.300 0.012 0.000 1.195 312 I CB 1.373 39.382 38.000 0.014 0.000 1.350 312 I HN 0.269 nan 8.210 nan 0.000 0.464 313 E N 5.742 125.949 120.200 0.013 0.000 2.344 313 E HA 0.331 4.681 4.350 -0.000 0.000 0.270 313 E C -0.391 176.207 176.600 -0.002 0.000 1.021 313 E CA -0.103 56.299 56.400 0.004 0.000 0.887 313 E CB 0.852 30.552 29.700 0.001 0.000 0.997 313 E HN 0.758 nan 8.360 nan 0.000 0.429 314 S N 3.505 119.194 115.700 -0.018 0.000 2.625 314 S HA 0.785 5.255 4.470 -0.000 0.000 0.271 314 S C -1.152 173.410 174.600 -0.063 0.000 1.161 314 S CA -1.137 57.039 58.200 -0.041 0.000 0.820 314 S CB 1.403 64.589 63.200 -0.023 0.000 1.137 314 S HN 0.730 nan 8.310 nan 0.000 0.470 315 R N -0.802 119.634 120.500 -0.107 0.000 2.710 315 R HA 0.780 5.120 4.340 -0.000 0.000 0.270 315 R C -3.389 172.819 176.300 -0.154 0.000 1.021 315 R CA -1.812 54.219 56.100 -0.115 0.000 0.889 315 R CB 0.876 31.102 30.300 -0.123 0.000 1.243 315 R HN 0.472 nan 8.270 nan 0.000 0.464 316 P HA 0.095 nan 4.420 nan 0.000 0.276 316 P C -0.288 176.879 177.300 -0.223 0.000 1.244 316 P CA -0.553 62.477 63.100 -0.116 0.000 0.801 316 P CB 0.778 32.467 31.700 -0.018 0.000 1.006 317 V N 2.383 122.186 119.914 -0.185 0.000 2.924 317 V HA 0.014 4.134 4.120 -0.000 0.000 0.305 317 V C 0.604 176.614 176.094 -0.138 0.000 1.073 317 V CA 0.077 62.236 62.300 -0.234 0.000 1.098 317 V CB -0.823 30.917 31.823 -0.139 0.000 1.000 317 V HN 0.330 nan 8.190 nan 0.000 0.484 318 F N 3.923 123.898 119.950 0.041 0.000 2.623 318 F HA -0.008 4.524 4.527 0.007 0.000 0.381 318 F C 1.044 176.834 175.800 -0.016 0.000 1.081 318 F CA 0.388 58.379 58.000 -0.015 0.000 1.293 318 F CB -0.435 38.602 39.000 0.062 0.000 1.006 318 F HN 0.482 nan 8.300 nan 0.000 0.578 319 H N 3.427 122.634 119.070 0.228 0.000 2.803 319 H HA 0.162 4.718 4.556 0.000 0.000 0.330 319 H C -2.039 173.340 175.328 0.085 0.000 1.057 319 H CA -2.478 53.635 56.048 0.108 0.000 1.458 319 H CB 0.046 29.842 29.762 0.056 0.000 1.470 319 H HN 0.229 nan 8.280 nan 0.000 0.560 320 P HA -0.074 nan 4.420 nan 0.000 0.262 320 P C 1.294 178.624 177.300 0.050 0.000 1.182 320 P CA 0.003 63.162 63.100 0.098 0.000 0.761 320 P CB 0.594 32.311 31.700 0.028 0.000 0.795 321 M N 2.902 122.550 119.600 0.080 0.000 2.103 321 M HA -0.240 4.240 4.480 -0.000 0.000 0.255 321 M C 1.943 178.323 176.300 0.134 0.000 1.074 321 M CA 2.133 57.484 55.300 0.086 0.000 1.090 321 M CB -1.831 30.748 32.600 -0.034 0.000 1.325 321 M HN 0.606 nan 8.290 nan 0.000 0.403 322 H N 0.554 119.648 119.070 0.039 0.000 2.567 322 H HA -0.004 4.551 4.556 -0.001 0.000 0.276 322 H C 1.604 176.956 175.328 0.039 0.000 1.016 322 H CA 1.303 57.371 56.048 0.033 0.000 1.186 322 H CB -0.957 28.799 29.762 -0.011 0.000 1.351 322 H HN 0.673 nan 8.280 nan 0.000 0.605 323 I N -2.922 117.454 120.570 -0.324 0.000 3.956 323 I HA 0.281 4.450 4.170 -0.000 0.000 0.333 323 I C 0.238 176.300 176.117 -0.092 0.000 1.302 323 I CA -0.333 60.822 61.300 -0.242 0.000 1.122 323 I CB 0.229 38.048 38.000 -0.301 0.000 1.013 323 I HN -0.087 nan 8.210 nan 0.000 0.405 324 M N 1.207 120.793 119.600 -0.023 0.000 2.478 324 M HA 0.426 4.906 4.480 -0.000 0.000 0.327 324 M C -1.700 174.598 176.300 -0.003 0.000 1.187 324 M CA -1.631 53.669 55.300 0.000 0.000 1.022 324 M CB 1.058 33.682 32.600 0.040 0.000 1.629 324 M HN -0.295 nan 8.290 nan 0.000 0.461 325 P HA -0.156 nan 4.420 nan 0.000 0.216 325 P C -1.510 175.739 177.300 -0.086 0.000 1.157 325 P CA 1.712 64.787 63.100 -0.042 0.000 0.880 325 P CB -1.173 30.498 31.700 -0.049 0.000 0.791 326 P HA -0.129 nan 4.420 nan 0.000 0.219 326 P C 0.443 177.411 177.300 -0.553 0.000 1.146 326 P CA 1.544 64.367 63.100 -0.462 0.000 0.808 326 P CB -0.314 30.965 31.700 -0.702 0.000 0.779 327 Y N -2.503 117.852 120.300 0.092 0.000 2.707 327 Y HA 0.528 5.080 4.550 0.003 0.000 0.249 327 Y C 1.925 177.807 175.900 -0.029 0.000 1.166 327 Y CA -0.731 57.370 58.100 0.002 0.000 1.184 327 Y CB -0.754 37.660 38.460 -0.076 0.000 1.240 327 Y HN -0.139 nan 8.280 nan 0.000 0.547 328 A N 0.217 123.133 122.820 0.160 0.000 1.972 328 A HA -0.203 4.117 4.320 -0.000 0.000 0.219 328 A C 2.001 179.659 177.584 0.123 0.000 1.169 328 A CA 1.982 54.092 52.037 0.122 0.000 0.635 328 A CB -0.862 18.191 19.000 0.088 0.000 0.810 328 A HN 0.658 nan 8.150 nan 0.000 0.446 329 H N -0.678 118.430 119.070 0.063 0.000 2.561 329 H HA 0.109 4.665 4.556 -0.001 0.000 0.278 329 H C 1.226 176.592 175.328 0.064 0.000 1.014 329 H CA 1.015 57.093 56.048 0.050 0.000 1.211 329 H CB -0.482 29.297 29.762 0.029 0.000 1.365 329 H HN 0.459 nan 8.280 nan 0.000 0.594 330 L N 0.822 121.830 121.223 -0.358 0.000 2.607 330 L HA 0.349 4.688 4.340 -0.000 0.000 0.228 330 L C 1.160 177.963 176.870 -0.112 0.000 1.123 330 L CA -0.114 54.564 54.840 -0.270 0.000 0.890 330 L CB -0.004 41.866 42.059 -0.315 0.000 1.103 330 L HN 0.181 nan 8.230 nan 0.000 0.468 331 A N 0.749 123.558 122.820 -0.019 0.000 2.483 331 A HA 0.404 4.724 4.320 -0.000 0.000 0.238 331 A C 0.583 178.119 177.584 -0.080 0.000 1.070 331 A CA 0.436 52.464 52.037 -0.015 0.000 0.770 331 A CB 0.112 19.216 19.000 0.172 0.000 1.008 331 A HN 0.339 nan 8.150 nan 0.000 0.497 332 T N -1.807 112.647 114.554 -0.166 0.000 2.838 332 T HA 0.529 4.879 4.350 -0.000 0.000 0.292 332 T C -0.029 174.607 174.700 -0.107 0.000 1.113 332 T CA 0.039 62.069 62.100 -0.116 0.000 1.008 332 T CB 1.483 70.273 68.868 -0.130 0.000 1.259 332 T HN 0.571 nan 8.240 nan 0.000 0.520 333 D N -0.975 119.385 120.400 -0.066 0.000 2.340 333 D HA 0.104 4.744 4.640 -0.000 0.000 0.220 333 D C 0.282 176.552 176.300 -0.050 0.000 1.039 333 D CA 0.025 54.000 54.000 -0.041 0.000 0.866 333 D CB -0.070 40.716 40.800 -0.024 0.000 0.913 333 D HN 0.534 nan 8.370 nan 0.000 0.523 334 D N 0.182 120.533 120.400 -0.080 0.000 3.008 334 D HA 0.212 4.852 4.640 -0.000 0.000 0.312 334 D C 0.047 176.292 176.300 -0.091 0.000 1.361 334 D CA -0.251 53.707 54.000 -0.069 0.000 0.858 334 D CB -0.237 40.525 40.800 -0.065 0.000 1.098 334 D HN 0.137 nan 8.370 nan 0.000 0.482 335 L N 0.325 121.486 121.223 -0.104 0.000 3.366 335 L HA 0.272 4.612 4.340 -0.000 0.000 0.304 335 L C 1.773 178.651 176.870 0.014 0.000 1.292 335 L CA -0.192 54.584 54.840 -0.108 0.000 1.012 335 L CB 0.602 42.436 42.059 -0.374 0.000 1.414 335 L HN -0.160 nan 8.230 nan 0.000 0.603 336 K N 0.511 120.922 120.400 0.017 0.000 2.152 336 K HA -0.115 4.205 4.320 -0.000 0.000 0.206 336 K C 1.828 178.466 176.600 0.063 0.000 1.048 336 K CA 1.224 57.541 56.287 0.049 0.000 0.933 336 K CB 0.128 32.645 32.500 0.027 0.000 0.721 336 K HN 0.222 nan 8.250 nan 0.000 0.447 337 I N 0.966 121.567 120.570 0.051 0.000 2.315 337 I HA -0.176 3.994 4.170 -0.000 0.000 0.248 337 I C 2.471 178.652 176.117 0.107 0.000 1.117 337 I CA 1.100 62.438 61.300 0.062 0.000 1.404 337 I CB -1.359 36.662 38.000 0.036 0.000 1.071 337 I HN 0.096 nan 8.210 nan 0.000 0.419 338 A N 0.855 123.748 122.820 0.121 0.000 1.883 338 A HA -0.228 4.091 4.320 -0.000 0.000 0.217 338 A C 2.255 179.944 177.584 0.175 0.000 1.186 338 A CA 1.731 53.868 52.037 0.168 0.000 0.624 338 A CB -0.700 18.413 19.000 0.188 0.000 0.822 338 A HN 0.449 nan 8.150 nan 0.000 0.444 339 E N -0.348 119.956 120.200 0.173 0.000 2.070 339 E HA -0.181 4.169 4.350 -0.000 0.000 0.197 339 E C 2.304 178.968 176.600 0.106 0.000 1.004 339 E CA 1.242 57.722 56.400 0.133 0.000 0.805 339 E CB -0.317 29.463 29.700 0.132 0.000 0.744 339 E HN 0.634 nan 8.360 nan 0.000 0.451 340 A N 0.496 123.378 122.820 0.103 0.000 1.898 340 A HA -0.183 4.137 4.320 -0.000 0.000 0.216 340 A C 2.409 180.066 177.584 0.121 0.000 1.181 340 A CA 1.235 53.327 52.037 0.092 0.000 0.620 340 A CB -0.749 18.296 19.000 0.074 0.000 0.819 340 A HN 0.382 nan 8.150 nan 0.000 0.442 341 C N -1.005 118.393 119.300 0.162 0.000 2.446 341 C HA 0.035 4.495 4.460 -0.000 0.000 0.277 341 C C 2.978 178.073 174.990 0.175 0.000 1.275 341 C CA 0.519 59.674 59.018 0.228 0.000 1.727 341 C CB -1.611 26.340 27.740 0.353 0.000 2.010 341 C HN 0.694 nan 8.230 nan 0.000 0.486 342 G N 0.092 108.989 108.800 0.162 0.000 2.432 342 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.219 342 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.219 342 G C 1.675 176.652 174.900 0.127 0.000 1.135 342 G CA 1.165 46.359 45.100 0.158 0.000 0.767 342 G HN 0.408 nan 8.290 nan 0.000 0.550 343 V N 2.006 121.980 119.914 0.100 0.000 2.323 343 V HA -0.080 4.039 4.120 -0.000 0.000 0.244 343 V C 2.254 178.388 176.094 0.067 0.000 1.041 343 V CA 2.328 64.672 62.300 0.073 0.000 1.025 343 V CB -0.119 31.738 31.823 0.058 0.000 0.656 343 V HN 0.677 nan 8.190 nan 0.000 0.451 344 D N -0.867 119.578 120.400 0.077 0.000 2.433 344 D HA 0.165 4.805 4.640 -0.000 0.000 0.211 344 D C 0.888 177.225 176.300 0.062 0.000 1.114 344 D CA 0.282 54.321 54.000 0.066 0.000 0.837 344 D CB -0.180 40.662 40.800 0.069 0.000 0.984 344 D HN 0.285 nan 8.370 nan 0.000 0.505 345 G N 0.620 109.456 108.800 0.061 0.000 2.403 345 G HA2 0.481 4.441 3.960 -0.000 0.000 0.259 345 G HA3 0.481 4.441 3.960 -0.000 0.000 0.259 345 G C -1.020 173.832 174.900 -0.080 0.000 1.244 345 G CA -0.449 44.652 45.100 0.002 0.000 0.849 345 G HN 0.255 nan 8.290 nan 0.000 0.532 346 L N 2.036 123.181 121.223 -0.131 0.000 2.476 346 L HA 0.421 4.761 4.340 -0.000 0.000 0.269 346 L C -1.097 175.631 176.870 -0.237 0.000 0.965 346 L CA -0.857 53.893 54.840 -0.151 0.000 0.845 346 L CB 1.950 43.970 42.059 -0.065 0.000 1.259 346 L HN 0.403 nan 8.230 nan 0.000 0.403 347 N N 5.945 124.463 118.700 -0.304 0.000 2.434 347 N HA 0.496 5.236 4.740 -0.000 0.000 0.272 347 N C -1.011 174.368 175.510 -0.218 0.000 1.040 347 N CA -0.187 52.633 53.050 -0.383 0.000 0.956 347 N CB 1.805 39.986 38.487 -0.510 0.000 1.108 347 N HN 0.544 nan 8.380 nan 0.000 0.481 348 L N 2.713 123.844 121.223 -0.154 0.000 2.334 348 L HA 0.479 4.819 4.340 -0.000 0.000 0.272 348 L C -2.110 174.753 176.870 -0.012 0.000 1.020 348 L CA -2.223 52.596 54.840 -0.036 0.000 0.812 348 L CB 1.479 43.553 42.059 0.026 0.000 1.264 348 L HN 0.188 nan 8.230 nan 0.000 0.439 349 P HA 0.040 nan 4.420 nan 0.000 0.260 349 P C -1.063 176.359 177.300 0.204 0.000 1.185 349 P CA 0.212 63.383 63.100 0.120 0.000 0.763 349 P CB 0.303 32.091 31.700 0.147 0.000 0.776 350 T N 2.942 117.603 114.554 0.179 0.000 3.143 350 T HA 0.601 4.951 4.350 -0.000 0.000 0.312 350 T C -0.743 174.112 174.700 0.259 0.000 0.986 350 T CA -0.708 61.508 62.100 0.193 0.000 1.024 350 T CB 0.872 69.835 68.868 0.158 0.000 1.030 350 T HN 0.744 nan 8.240 nan 0.000 0.448 351 H N -0.080 119.054 119.070 0.107 0.000 2.984 351 H HA 0.704 5.260 4.556 -0.001 0.000 0.298 351 H C 0.861 176.245 175.328 0.095 0.000 1.378 351 H CA -0.531 55.577 56.048 0.100 0.000 1.241 351 H CB 0.234 30.041 29.762 0.076 0.000 1.894 351 H HN 0.494 nan 8.280 nan 0.000 0.511 352 A N 1.630 124.528 122.820 0.131 0.000 1.873 352 A HA -0.185 4.135 4.320 -0.000 0.000 0.219 352 A C 2.315 179.879 177.584 -0.033 0.000 1.269 352 A CA 2.599 54.682 52.037 0.077 0.000 0.671 352 A CB -1.758 17.327 19.000 0.140 0.000 0.842 352 A HN 1.266 nan 8.150 nan 0.000 0.460 353 G N -1.086 107.720 108.800 0.011 0.000 2.916 353 G HA2 0.299 4.259 3.960 -0.000 0.000 0.205 353 G HA3 0.299 4.259 3.960 -0.000 0.000 0.205 353 G C 0.443 175.252 174.900 -0.151 0.000 1.163 353 G CA -0.205 44.894 45.100 -0.002 0.000 0.821 353 G HN 0.404 nan 8.290 nan 0.000 0.515 354 L N 1.492 122.457 121.223 -0.430 0.000 2.397 354 L HA 0.303 4.643 4.340 -0.000 0.000 0.271 354 L C 1.094 177.967 176.870 0.005 0.000 1.148 354 L CA -0.294 54.400 54.840 -0.244 0.000 0.825 354 L CB 1.125 43.033 42.059 -0.252 0.000 1.117 354 L HN 0.179 nan 8.230 nan 0.000 0.456 355 T N -2.209 112.311 114.554 -0.057 0.000 2.948 355 T HA 0.176 4.525 4.350 -0.000 0.000 0.285 355 T C 0.755 175.159 174.700 -0.494 0.000 1.019 355 T CA -0.809 61.193 62.100 -0.163 0.000 1.013 355 T CB 1.884 70.646 68.868 -0.177 0.000 1.117 355 T HN 0.676 nan 8.240 nan 0.000 0.533 356 E N 0.295 119.771 120.200 -1.206 0.000 2.118 356 E HA -0.174 4.175 4.350 -0.000 0.000 0.195 356 E C 2.227 178.384 176.600 -0.738 0.000 0.992 356 E CA 1.232 56.673 56.400 -1.600 0.000 0.804 356 E CB -0.438 28.087 29.700 -1.957 0.000 0.741 356 E HN 0.785 nan 8.360 nan 0.000 0.458 357 A N 1.279 123.793 122.820 -0.510 0.000 1.902 357 A HA -0.212 4.108 4.320 -0.000 0.000 0.217 357 A C 1.819 179.254 177.584 -0.250 0.000 1.181 357 A CA 1.746 53.593 52.037 -0.315 0.000 0.623 357 A CB -0.432 18.429 19.000 -0.231 0.000 0.818 357 A HN 0.234 nan 8.150 nan 0.000 0.443 358 D N 0.304 120.564 120.400 -0.234 0.000 2.092 358 D HA -0.156 4.484 4.640 -0.000 0.000 0.193 358 D C 1.985 178.166 176.300 -0.198 0.000 0.994 358 D CA 1.375 55.278 54.000 -0.162 0.000 0.828 358 D CB -0.308 40.419 40.800 -0.122 0.000 0.963 358 D HN 0.368 nan 8.370 nan 0.000 0.450 359 I N 1.560 121.962 120.570 -0.280 0.000 2.208 359 I HA -0.227 3.943 4.170 -0.000 0.000 0.245 359 I C 1.816 177.749 176.117 -0.307 0.000 1.097 359 I CA 1.260 62.338 61.300 -0.370 0.000 1.363 359 I CB -1.119 36.629 38.000 -0.421 0.000 1.051 359 I HN -0.009 nan 8.210 nan 0.000 0.413 360 D N 0.727 120.959 120.400 -0.280 0.000 2.104 360 D HA -0.200 4.440 4.640 -0.000 0.000 0.194 360 D C 2.295 178.506 176.300 -0.149 0.000 0.994 360 D CA 1.107 54.984 54.000 -0.204 0.000 0.830 360 D CB -0.318 40.361 40.800 -0.203 0.000 0.959 360 D HN 0.288 nan 8.370 nan 0.000 0.452 361 R N 0.560 120.975 120.500 -0.142 0.000 2.094 361 R HA -0.148 4.191 4.340 -0.000 0.000 0.239 361 R C 2.382 178.636 176.300 -0.077 0.000 1.137 361 R CA 1.220 57.263 56.100 -0.095 0.000 0.943 361 R CB -0.451 29.798 30.300 -0.085 0.000 0.850 361 R HN 0.067 nan 8.270 nan 0.000 0.433 362 V N 1.450 121.309 119.914 -0.093 0.000 2.287 362 V HA -0.296 3.824 4.120 -0.000 0.000 0.248 362 V C 2.423 178.500 176.094 -0.028 0.000 1.053 362 V CA 1.659 63.929 62.300 -0.050 0.000 1.027 362 V CB -0.446 31.345 31.823 -0.053 0.000 0.646 362 V HN 0.339 nan 8.190 nan 0.000 0.447 363 I N 0.294 120.822 120.570 -0.070 0.000 2.286 363 I HA -0.209 3.961 4.170 -0.000 0.000 0.248 363 I C 2.715 178.823 176.117 -0.016 0.000 1.115 363 I CA 1.767 63.052 61.300 -0.026 0.000 1.392 363 I CB -1.519 36.451 38.000 -0.051 0.000 1.065 363 I HN 0.326 nan 8.210 nan 0.000 0.418 364 A N 1.362 124.159 122.820 -0.038 0.000 1.849 364 A HA -0.249 4.071 4.320 -0.000 0.000 0.217 364 A C 2.643 180.219 177.584 -0.014 0.000 1.202 364 A CA 2.683 54.702 52.037 -0.030 0.000 0.629 364 A CB -1.123 17.851 19.000 -0.043 0.000 0.834 364 A HN 0.414 nan 8.150 nan 0.000 0.447 365 A N -0.528 122.284 122.820 -0.013 0.000 1.884 365 A HA -0.199 4.121 4.320 -0.000 0.000 0.219 365 A C 2.253 179.843 177.584 0.009 0.000 1.197 365 A CA 1.930 53.966 52.037 -0.002 0.000 0.637 365 A CB -0.830 18.170 19.000 0.001 0.000 0.827 365 A HN 0.524 nan 8.150 nan 0.000 0.450 366 L N -0.834 120.401 121.223 0.020 0.000 2.017 366 L HA -0.210 4.130 4.340 -0.000 0.000 0.208 366 L C 2.539 179.424 176.870 0.026 0.000 1.073 366 L CA 1.669 56.528 54.840 0.032 0.000 0.745 366 L CB -0.614 41.478 42.059 0.055 0.000 0.894 366 L HN 0.442 nan 8.230 nan 0.000 0.432 367 D N -0.258 120.154 120.400 0.020 0.000 2.116 367 D HA -0.253 4.387 4.640 -0.000 0.000 0.193 367 D C 2.139 178.446 176.300 0.012 0.000 0.998 367 D CA 1.516 55.525 54.000 0.016 0.000 0.836 367 D CB 0.062 40.866 40.800 0.007 0.000 0.951 367 D HN 0.338 nan 8.370 nan 0.000 0.449 368 Q N -0.284 119.521 119.800 0.007 0.000 1.993 368 Q HA -0.145 4.195 4.340 -0.000 0.000 0.202 368 Q C 2.427 178.433 176.000 0.009 0.000 0.984 368 Q CA 2.191 57.997 55.803 0.006 0.000 0.837 368 Q CB 0.018 28.757 28.738 0.001 0.000 0.902 368 Q HN 0.354 nan 8.270 nan 0.000 0.423 369 V N -1.426 118.495 119.914 0.012 0.000 2.809 369 V HA -0.019 4.101 4.120 -0.000 0.000 0.256 369 V C 1.309 177.413 176.094 0.017 0.000 1.080 369 V CA 0.681 62.990 62.300 0.014 0.000 1.102 369 V CB -0.554 31.277 31.823 0.015 0.000 0.705 369 V HN 0.192 nan 8.190 nan 0.000 0.475 370 L N 2.003 123.238 121.223 0.020 0.000 2.451 370 L HA 0.279 4.619 4.340 -0.000 0.000 0.272 370 L C -0.348 176.535 176.870 0.020 0.000 1.258 370 L CA 0.249 55.103 54.840 0.023 0.000 1.132 370 L CB -0.064 42.013 42.059 0.030 0.000 1.361 370 L HN 0.223 nan 8.230 nan 0.000 0.438 371 V N 0.000 119.925 119.914 0.018 0.000 2.409 371 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 371 V CA 0.000 62.309 62.300 0.016 0.000 1.235 371 V CB 0.000 31.831 31.823 0.013 0.000 1.184 371 V HN 0.000 nan 8.190 nan 0.000 0.556