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 3dbn_1_A DATA FIRST_RESID 19 DATA SEQUENCE SHMKMSFRWY GKKDPVTLEE IKAIPGMQGI VTAVYDVPVG QAWPLENILE DATA SEQUENCE LKKMVEEAGL EITVIESIPV HEDIKQGKPN RDALIENYKT SIRNVGAAGI DATA SEQUENCE PVVCYNFMPV FDWTRSDLHH PLPDGSTSLA FLKSDLAGVD PXXXXXXXXX DATA SEQUENCE XXXXXSKEEM KAIIENYRQN ISEEDLWANL EYFIKAILPT AEEAGVKMAI DATA SEQUENCE HPDDPPYGIF GLPRIITGQE AVERFLNLYD SEHNGITMCV GSYASDPKND DATA SEQUENCE VLAMTEYALK RNRINFMHTR NVTAGAWGFQ ETAHLSQAGD IDMNAVVKLL DATA SEQUENCE VDYDWQGSLR PDHGRRIWGD QTKTPGYGLY DRALGATYFN GLYEANMRAA DATA SEQUENCE GKTPDFGIKA KTV 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 19 S HA 0.000 nan 4.470 nan 0.000 0.327 19 S C 0.000 174.666 174.600 0.110 0.000 1.055 19 S CA 0.000 58.225 58.200 0.042 0.000 1.107 19 S CB 0.000 63.250 63.200 0.083 0.000 0.593 20 H N 1.073 120.161 119.070 0.031 0.000 2.459 20 H HA 0.621 5.202 4.556 0.042 0.000 0.332 20 H C -0.283 175.007 175.328 -0.065 0.000 1.094 20 H CA -0.730 55.352 56.048 0.056 0.000 1.224 20 H CB 0.925 30.699 29.762 0.020 0.000 1.449 20 H HN 0.393 nan 8.280 nan 0.000 0.484 21 M N 3.925 123.490 119.600 -0.058 0.000 2.113 21 M HA 0.268 4.773 4.480 0.043 0.000 0.352 21 M C -1.170 175.027 176.300 -0.172 0.000 1.170 21 M CA -0.537 54.648 55.300 -0.192 0.000 1.053 21 M CB 0.753 33.213 32.600 -0.234 0.000 1.601 21 M HN 0.568 nan 8.290 nan 0.000 0.459 22 K N 4.741 125.107 120.400 -0.057 0.000 2.258 22 K HA 0.274 4.620 4.320 0.043 0.000 0.284 22 K C -0.604 176.012 176.600 0.028 0.000 1.051 22 K CA -0.421 55.870 56.287 0.007 0.000 0.923 22 K CB 1.052 33.579 32.500 0.045 0.000 1.046 22 K HN 0.650 nan 8.250 nan 0.000 0.474 23 M N 2.879 122.507 119.600 0.047 0.000 2.220 23 M HA 0.049 4.554 4.480 0.043 0.000 0.343 23 M C -0.833 175.561 176.300 0.156 0.000 1.470 23 M CA 0.632 55.998 55.300 0.110 0.000 1.161 23 M CB 0.147 32.856 32.600 0.183 0.000 1.737 23 M HN 0.463 nan 8.290 nan 0.000 0.464 24 S N 4.020 119.832 115.700 0.187 0.000 2.689 24 S HA 0.812 5.308 4.470 0.043 0.000 0.306 24 S C -1.328 173.473 174.600 0.334 0.000 1.104 24 S CA -0.619 57.721 58.200 0.234 0.000 0.973 24 S CB 1.513 64.851 63.200 0.230 0.000 1.121 24 S HN 0.604 nan 8.310 nan 0.000 0.523 25 F N 1.043 121.078 119.950 0.142 0.000 2.622 25 F HA 0.423 4.971 4.527 0.035 0.000 0.318 25 F C -0.597 175.330 175.800 0.211 0.000 1.135 25 F CA -0.694 57.404 58.000 0.164 0.000 1.015 25 F CB 1.333 40.419 39.000 0.144 0.000 1.275 25 F HN 0.546 nan 8.300 nan 0.000 0.457 26 R N 3.885 124.347 120.500 -0.064 0.000 2.390 26 R HA 0.319 4.685 4.340 0.043 0.000 0.291 26 R C -1.943 174.536 176.300 0.299 0.000 1.070 26 R CA -0.279 55.895 56.100 0.124 0.000 1.014 26 R CB 0.796 31.162 30.300 0.109 0.000 1.007 26 R HN 0.701 nan 8.270 nan 0.000 0.466 27 W N 5.930 127.305 121.300 0.125 0.000 2.543 27 W HA 0.266 4.930 4.660 0.007 0.000 0.318 27 W C -1.124 175.483 176.519 0.148 0.000 1.002 27 W CA -1.008 56.447 57.345 0.184 0.000 1.302 27 W CB 0.742 30.308 29.460 0.177 0.000 1.299 27 W HN 0.670 nan 8.180 nan 0.000 0.424 28 Y N 5.296 125.347 120.300 -0.415 0.000 2.663 28 Y HA 0.186 4.760 4.550 0.040 0.000 0.342 28 Y C 1.635 177.079 175.900 -0.761 0.000 1.224 28 Y CA 1.337 59.137 58.100 -0.499 0.000 1.268 28 Y CB -0.795 37.330 38.460 -0.558 0.000 1.070 28 Y HN 0.621 nan 8.280 nan 0.000 0.491 29 G N -0.187 108.001 108.800 -1.020 0.000 2.681 29 G HA2 -0.356 3.629 3.960 0.043 0.000 0.220 29 G HA3 -0.356 3.629 3.960 0.043 0.000 0.220 29 G C 0.915 174.990 174.900 -1.374 0.000 1.353 29 G CA -0.032 44.443 45.100 -1.040 0.000 0.872 29 G HN 0.299 nan 8.290 nan 0.000 0.557 30 K N 0.258 120.374 120.400 -0.472 0.000 2.127 30 K HA -0.182 4.163 4.320 0.043 0.000 0.208 30 K C 2.354 178.854 176.600 -0.168 0.000 1.047 30 K CA 2.172 58.391 56.287 -0.114 0.000 0.927 30 K CB -0.223 32.288 32.500 0.019 0.000 0.716 30 K HN 0.472 nan 8.250 nan 0.000 0.450 31 K N 0.815 121.050 120.400 -0.275 0.000 2.439 31 K HA -0.100 4.246 4.320 0.043 0.000 0.197 31 K C -0.072 176.389 176.600 -0.232 0.000 1.041 31 K CA 0.331 56.488 56.287 -0.216 0.000 0.970 31 K CB 0.002 32.364 32.500 -0.230 0.000 0.773 31 K HN 0.102 nan 8.250 nan 0.000 0.479 32 D N 1.823 121.998 120.400 -0.375 0.000 2.451 32 D HA -0.039 4.627 4.640 0.043 0.000 0.254 32 D C -1.506 174.766 176.300 -0.046 0.000 1.204 32 D CA -1.568 52.254 54.000 -0.297 0.000 0.896 32 D CB 1.417 41.855 40.800 -0.604 0.000 1.136 32 D HN 0.127 nan 8.370 nan 0.000 0.499 33 P HA -0.086 nan 4.420 nan 0.000 0.225 33 P C 0.289 177.635 177.300 0.077 0.000 1.148 33 P CA 0.227 63.334 63.100 0.010 0.000 0.779 33 P CB 0.337 32.020 31.700 -0.028 0.000 0.780 34 V N 1.292 121.285 119.914 0.132 0.000 2.385 34 V HA 0.134 4.280 4.120 0.043 0.000 0.269 34 V C 0.744 177.055 176.094 0.361 0.000 1.043 34 V CA -0.022 62.407 62.300 0.215 0.000 0.906 34 V CB 0.759 32.740 31.823 0.264 0.000 0.995 34 V HN 0.009 nan 8.190 nan 0.000 0.467 35 T N 5.759 120.460 114.554 0.246 0.000 2.828 35 T HA 0.315 4.691 4.350 0.043 0.000 0.290 35 T C 1.414 176.176 174.700 0.102 0.000 1.019 35 T CA -0.359 61.876 62.100 0.224 0.000 1.031 35 T CB 1.058 70.001 68.868 0.126 0.000 1.001 35 T HN 0.430 nan 8.240 nan 0.000 0.531 36 L N 1.271 122.451 121.223 -0.072 0.000 2.141 36 L HA -0.012 4.354 4.340 0.043 0.000 0.209 36 L C 3.206 179.996 176.870 -0.133 0.000 1.094 36 L CA 1.843 56.525 54.840 -0.264 0.000 0.763 36 L CB -1.096 40.700 42.059 -0.438 0.000 0.908 36 L HN 0.921 nan 8.230 nan 0.000 0.437 37 E N 0.935 121.095 120.200 -0.067 0.000 2.085 37 E HA -0.274 4.102 4.350 0.043 0.000 0.194 37 E C 1.925 178.508 176.600 -0.029 0.000 0.994 37 E CA 1.777 58.154 56.400 -0.039 0.000 0.801 37 E CB -0.740 nan 29.700 nan 0.000 0.743 37 E HN 0.734 nan 8.360 nan 0.000 0.453 38 E N -0.216 119.981 120.200 -0.005 0.000 2.072 38 E HA -0.016 4.360 4.350 0.043 0.000 0.191 38 E C 2.358 178.915 176.600 -0.071 0.000 0.985 38 E CA 1.039 57.441 56.400 0.004 0.000 0.801 38 E CB -0.187 29.547 29.700 0.056 0.000 0.750 38 E HN 0.576 nan 8.360 nan 0.000 0.452 39 I N 1.313 121.824 120.570 -0.098 0.000 2.252 39 I HA -0.229 3.966 4.170 0.043 0.000 0.245 39 I C 2.480 178.473 176.117 -0.207 0.000 1.102 39 I CA 0.961 62.121 61.300 -0.233 0.000 1.385 39 I CB -0.088 37.853 38.000 -0.099 0.000 1.064 39 I HN -0.012 nan 8.210 nan 0.000 0.414 40 K N 1.784 122.107 120.400 -0.128 0.000 2.283 40 K HA -0.062 4.283 4.320 0.043 0.000 0.202 40 K C 1.888 178.444 176.600 -0.073 0.000 1.048 40 K CA 1.430 57.662 56.287 -0.091 0.000 0.948 40 K CB -0.245 32.211 32.500 -0.074 0.000 0.742 40 K HN 0.269 nan 8.250 nan 0.000 0.458 41 A N 0.589 123.365 122.820 -0.072 0.000 1.969 41 A HA 0.077 4.423 4.320 0.043 0.000 0.218 41 A C 0.730 178.288 177.584 -0.043 0.000 1.169 41 A CA 0.412 52.424 52.037 -0.042 0.000 0.635 41 A CB -0.602 18.388 19.000 -0.017 0.000 0.810 41 A HN 0.290 nan 8.150 nan 0.000 0.445 42 I N 1.459 121.978 120.570 -0.084 0.000 2.826 42 I HA 0.013 4.209 4.170 0.043 0.000 0.295 42 I C -2.190 173.909 176.117 -0.030 0.000 1.213 42 I CA -1.170 60.089 61.300 -0.070 0.000 1.436 42 I CB 0.254 38.154 38.000 -0.166 0.000 1.348 42 I HN 0.088 nan 8.210 nan 0.000 0.570 43 P HA 0.077 nan 4.420 nan 0.000 0.267 43 P C 0.829 178.126 177.300 -0.005 0.000 1.205 43 P CA 0.403 63.485 63.100 -0.030 0.000 0.765 43 P CB 0.785 32.454 31.700 -0.052 0.000 0.828 44 G N 1.731 110.537 108.800 0.009 0.000 2.196 44 G HA2 -0.318 3.668 3.960 0.043 0.000 0.268 44 G HA3 -0.318 3.668 3.960 0.043 0.000 0.268 44 G C 0.263 175.312 174.900 0.249 0.000 0.975 44 G CA 0.154 45.363 45.100 0.181 0.000 0.648 44 G HN 0.522 nan 8.290 nan 0.000 0.538 45 M N 0.695 120.372 119.600 0.127 0.000 2.238 45 M HA 0.484 4.990 4.480 0.043 0.000 0.347 45 M C 1.098 177.452 176.300 0.090 0.000 1.173 45 M CA 0.421 55.782 55.300 0.100 0.000 1.147 45 M CB 0.859 33.459 32.600 -0.001 0.000 1.547 45 M HN 0.352 nan 8.290 nan 0.000 0.455 46 Q N 2.365 122.225 119.800 0.099 0.000 2.361 46 Q HA 0.336 4.702 4.340 0.043 0.000 0.182 46 Q C 0.481 176.518 176.000 0.061 0.000 0.650 46 Q CA 0.295 56.144 55.803 0.076 0.000 0.842 46 Q CB 0.315 29.102 28.738 0.082 0.000 1.211 46 Q HN 0.870 nan 8.270 nan 0.000 0.502 47 G N 0.826 109.676 108.800 0.083 0.000 2.502 47 G HA2 0.576 4.561 3.960 0.043 0.000 0.305 47 G HA3 0.576 4.561 3.960 0.043 0.000 0.305 47 G C -1.232 173.732 174.900 0.107 0.000 1.190 47 G CA -0.358 44.786 45.100 0.073 0.000 0.933 47 G HN 0.159 nan 8.290 nan 0.000 0.503 48 I N -0.270 120.352 120.570 0.086 0.000 2.569 48 I HA 0.512 4.707 4.170 0.043 0.000 0.296 48 I C -0.861 175.327 176.117 0.118 0.000 1.028 48 I CA -0.811 60.567 61.300 0.129 0.000 1.082 48 I CB 2.397 40.446 38.000 0.082 0.000 1.264 48 I HN 0.202 nan 8.210 nan 0.000 0.429 49 V N 6.542 126.557 119.914 0.169 0.000 2.350 49 V HA 0.628 4.773 4.120 0.043 0.000 0.285 49 V C -0.146 176.042 176.094 0.157 0.000 1.014 49 V CA -0.106 62.265 62.300 0.119 0.000 0.831 49 V CB 1.230 33.143 31.823 0.150 0.000 1.000 49 V HN 0.869 nan 8.190 nan 0.000 0.433 50 T N 3.277 117.907 114.554 0.127 0.000 2.665 50 T HA 0.898 5.274 4.350 0.043 0.000 0.303 50 T C -1.570 173.180 174.700 0.083 0.000 1.334 50 T CA 0.318 62.498 62.100 0.132 0.000 1.011 50 T CB 2.016 71.054 68.868 0.283 0.000 1.573 50 T HN 1.279 nan 8.240 nan 0.000 0.492 51 A N 0.541 123.371 122.820 0.017 0.000 2.567 51 A HA 0.652 4.997 4.320 0.043 0.000 0.291 51 A C -1.142 176.178 177.584 -0.440 0.000 1.048 51 A CA -0.508 51.476 52.037 -0.088 0.000 0.661 51 A CB 0.615 19.597 19.000 -0.031 0.000 1.288 51 A HN 0.877 nan 8.150 nan 0.000 0.424 52 V N 0.049 119.431 119.914 -0.887 0.000 3.051 52 V HA 0.256 4.402 4.120 0.043 0.000 0.306 52 V C 0.188 175.795 176.094 -0.810 0.000 1.083 52 V CA 0.720 62.468 62.300 -0.920 0.000 1.104 52 V CB 0.516 31.405 31.823 -1.556 0.000 1.027 52 V HN 0.914 nan 8.190 nan 0.000 0.483 53 Y N -0.411 119.716 120.300 -0.288 0.000 2.728 53 Y HA 0.190 4.773 4.550 0.055 0.000 0.256 53 Y C 0.905 176.736 175.900 -0.115 0.000 1.112 53 Y CA -0.606 57.403 58.100 -0.151 0.000 1.240 53 Y CB 0.541 38.929 38.460 -0.121 0.000 1.337 53 Y HN 0.789 nan 8.280 nan 0.000 0.559 54 D N -1.044 119.321 120.400 -0.060 0.000 2.431 54 D HA 0.173 4.839 4.640 0.043 0.000 0.213 54 D C -0.022 176.253 176.300 -0.042 0.000 1.130 54 D CA 0.201 54.179 54.000 -0.036 0.000 0.834 54 D CB 0.501 41.273 40.800 -0.047 0.000 0.985 54 D HN 0.023 nan 8.370 nan 0.000 0.504 55 V N 1.693 121.573 119.914 -0.057 0.000 2.357 55 V HA 0.234 4.379 4.120 0.043 0.000 0.284 55 V C -1.423 174.714 176.094 0.072 0.000 1.018 55 V CA -1.730 60.578 62.300 0.013 0.000 0.841 55 V CB 1.767 33.607 31.823 0.028 0.000 0.991 55 V HN -0.207 nan 8.190 nan 0.000 0.437 56 P HA -0.229 nan 4.420 nan 0.000 0.221 56 P C 0.726 178.087 177.300 0.102 0.000 1.107 56 P CA 2.499 65.647 63.100 0.080 0.000 0.986 56 P CB 0.297 32.044 31.700 0.078 0.000 0.774 57 V N -4.728 115.269 119.914 0.138 0.000 6.377 57 V HA 0.266 4.412 4.120 0.043 0.000 0.076 57 V C 1.170 177.390 176.094 0.211 0.000 0.935 57 V CA 0.561 62.955 62.300 0.157 0.000 0.858 57 V CB -0.259 31.619 31.823 0.091 0.000 1.380 57 V HN 0.132 nan 8.190 nan 0.000 0.685 58 G N 1.228 110.198 108.800 0.284 0.000 3.262 58 G HA2 0.231 4.217 3.960 0.043 0.000 0.222 58 G HA3 0.231 4.217 3.960 0.043 0.000 0.222 58 G C 0.291 175.293 174.900 0.170 0.000 1.269 58 G CA 0.334 45.595 45.100 0.269 0.000 1.032 58 G HN 0.559 nan 8.290 nan 0.000 0.502 59 Q N -0.947 118.952 119.800 0.165 0.000 2.364 59 Q HA 0.690 5.056 4.340 0.043 0.000 0.204 59 Q C 0.692 176.782 176.000 0.149 0.000 1.002 59 Q CA -0.634 55.250 55.803 0.135 0.000 1.012 59 Q CB 1.091 29.902 28.738 0.121 0.000 1.188 59 Q HN 0.249 nan 8.270 nan 0.000 0.522 60 A N -0.137 122.764 122.820 0.136 0.000 2.327 60 A HA 0.269 4.615 4.320 0.043 0.000 0.255 60 A C -1.370 176.406 177.584 0.320 0.000 1.099 60 A CA 0.107 52.230 52.037 0.144 0.000 0.801 60 A CB 0.188 19.244 19.000 0.093 0.000 1.062 60 A HN 0.583 nan 8.150 nan 0.000 0.496 61 W N 0.541 121.800 121.300 -0.068 0.000 2.517 61 W HA 0.466 5.156 4.660 0.049 0.000 0.301 61 W C -2.581 173.906 176.519 -0.053 0.000 1.002 61 W CA -2.360 54.941 57.345 -0.074 0.000 1.415 61 W CB 1.121 30.510 29.460 -0.117 0.000 1.275 61 W HN 0.388 nan 8.180 nan 0.000 0.413 62 P HA 0.077 nan 4.420 nan 0.000 0.275 62 P C 1.096 178.413 177.300 0.030 0.000 1.227 62 P CA -0.336 62.792 63.100 0.046 0.000 0.781 62 P CB 1.143 32.850 31.700 0.013 0.000 0.906 63 L N 2.425 123.671 121.223 0.038 0.000 2.137 63 L HA -0.239 4.127 4.340 0.043 0.000 0.213 63 L C 2.140 179.014 176.870 0.006 0.000 1.085 63 L CA 1.834 56.693 54.840 0.031 0.000 0.760 63 L CB -0.475 41.600 42.059 0.027 0.000 0.893 63 L HN 0.461 nan 8.230 nan 0.000 0.434 64 E N -0.199 119.999 120.200 -0.003 0.000 2.051 64 E HA -0.276 4.100 4.350 0.043 0.000 0.192 64 E C 1.740 178.320 176.600 -0.034 0.000 0.991 64 E CA 1.689 58.081 56.400 -0.013 0.000 0.799 64 E CB -0.086 29.608 29.700 -0.010 0.000 0.748 64 E HN 0.627 nan 8.360 nan 0.000 0.449 65 N N 0.747 119.407 118.700 -0.067 0.000 2.223 65 N HA -0.165 4.601 4.740 0.043 0.000 0.185 65 N C 1.931 177.362 175.510 -0.130 0.000 1.016 65 N CA 1.476 54.450 53.050 -0.126 0.000 0.863 65 N CB -0.331 38.017 38.487 -0.231 0.000 0.983 65 N HN 0.475 nan 8.380 nan 0.000 0.429 66 I N -1.926 118.590 120.570 -0.090 0.000 2.584 66 I HA 0.040 4.236 4.170 0.043 0.000 0.255 66 I C 1.505 177.618 176.117 -0.006 0.000 1.145 66 I CA 0.896 62.164 61.300 -0.052 0.000 1.462 66 I CB -0.022 37.990 38.000 0.020 0.000 1.102 66 I HN -0.040 nan 8.210 nan 0.000 0.433 67 L N 0.601 121.823 121.223 -0.003 0.000 2.044 67 L HA -0.057 4.309 4.340 0.043 0.000 0.205 67 L C 2.566 179.444 176.870 0.013 0.000 1.075 67 L CA 1.501 56.346 54.840 0.009 0.000 0.747 67 L CB -0.841 41.222 42.059 0.007 0.000 0.903 67 L HN 0.326 nan 8.230 nan 0.000 0.435 68 E N 0.276 120.479 120.200 0.004 0.000 2.339 68 E HA -0.235 4.141 4.350 0.043 0.000 0.201 68 E C 2.002 178.629 176.600 0.046 0.000 1.015 68 E CA 0.953 57.362 56.400 0.016 0.000 0.841 68 E CB 0.096 29.795 29.700 -0.001 0.000 0.754 68 E HN 0.442 nan 8.360 nan 0.000 0.508 69 L N -0.561 120.691 121.223 0.050 0.000 2.500 69 L HA 0.048 4.414 4.340 0.043 0.000 0.219 69 L C 2.298 179.230 176.870 0.103 0.000 1.057 69 L CA 0.207 55.118 54.840 0.118 0.000 0.854 69 L CB -0.023 42.107 42.059 0.117 0.000 1.078 69 L HN -0.127 nan 8.230 nan 0.000 0.480 70 K N 1.077 121.511 120.400 0.056 0.000 2.217 70 K HA -0.155 4.190 4.320 0.043 0.000 0.202 70 K C 1.964 178.574 176.600 0.017 0.000 1.051 70 K CA 1.177 57.484 56.287 0.035 0.000 0.952 70 K CB 0.279 32.795 32.500 0.027 0.000 0.736 70 K HN 0.120 nan 8.250 nan 0.000 0.453 71 K N 0.283 120.695 120.400 0.021 0.000 2.062 71 K HA -0.014 4.331 4.320 0.043 0.000 0.205 71 K C 2.194 178.796 176.600 0.004 0.000 1.051 71 K CA 0.973 57.267 56.287 0.011 0.000 0.941 71 K CB -0.018 32.491 32.500 0.015 0.000 0.719 71 K HN 0.032 nan 8.250 nan 0.000 0.440 72 M N 0.017 119.630 119.600 0.021 0.000 2.279 72 M HA -0.150 4.356 4.480 0.043 0.000 0.264 72 M C 1.493 177.745 176.300 -0.081 0.000 1.062 72 M CA 1.056 56.361 55.300 0.007 0.000 1.099 72 M CB 0.311 32.967 32.600 0.092 0.000 1.394 72 M HN 0.034 nan 8.290 nan 0.000 0.426 73 V N -0.921 118.943 119.914 -0.084 0.000 2.391 73 V HA -0.147 3.999 4.120 0.043 0.000 0.237 73 V C 1.869 177.903 176.094 -0.100 0.000 1.046 73 V CA 1.454 63.664 62.300 -0.150 0.000 1.053 73 V CB -0.515 31.237 31.823 -0.118 0.000 0.704 73 V HN 0.381 nan 8.190 nan 0.000 0.475 74 E N 0.242 120.410 120.200 -0.053 0.000 2.333 74 E HA -0.249 4.127 4.350 0.043 0.000 0.198 74 E C 2.114 178.691 176.600 -0.038 0.000 1.007 74 E CA 1.101 57.477 56.400 -0.039 0.000 0.845 74 E CB 0.086 29.773 29.700 -0.021 0.000 0.766 74 E HN 0.825 nan 8.360 nan 0.000 0.507 75 E N -0.224 119.951 120.200 -0.041 0.000 2.106 75 E HA -0.140 4.236 4.350 0.043 0.000 0.192 75 E C 1.635 178.207 176.600 -0.047 0.000 0.984 75 E CA 1.098 57.477 56.400 -0.035 0.000 0.806 75 E CB -0.116 29.568 29.700 -0.027 0.000 0.750 75 E HN 0.150 nan 8.360 nan 0.000 0.458 76 A N 0.358 123.133 122.820 -0.074 0.000 2.278 76 A HA 0.422 4.768 4.320 0.043 0.000 0.212 76 A C 1.714 179.250 177.584 -0.080 0.000 1.213 76 A CA 0.590 52.574 52.037 -0.088 0.000 0.840 76 A CB -0.244 18.670 19.000 -0.143 0.000 0.866 76 A HN 0.568 nan 8.150 nan 0.000 0.489 77 G N -1.763 107.000 108.800 -0.062 0.000 2.201 77 G HA2 -0.168 3.818 3.960 0.043 0.000 0.212 77 G HA3 -0.168 3.818 3.960 0.043 0.000 0.212 77 G C 0.007 174.883 174.900 -0.040 0.000 0.994 77 G CA 0.122 45.195 45.100 -0.044 0.000 0.644 77 G HN 0.455 nan 8.290 nan 0.000 0.508 78 L N 0.409 121.597 121.223 -0.058 0.000 2.313 78 L HA 0.832 5.197 4.340 0.043 0.000 0.268 78 L C 0.072 176.924 176.870 -0.030 0.000 1.010 78 L CA -1.097 53.716 54.840 -0.045 0.000 0.814 78 L CB 1.710 43.723 42.059 -0.077 0.000 1.304 78 L HN 0.385 nan 8.230 nan 0.000 0.441 79 E N 0.872 121.068 120.200 -0.008 0.000 2.302 79 E HA 0.376 4.752 4.350 0.043 0.000 0.263 79 E C -1.047 175.558 176.600 0.010 0.000 0.897 79 E CA -0.784 55.615 56.400 -0.000 0.000 0.809 79 E CB 1.349 31.050 29.700 0.002 0.000 1.270 79 E HN 0.320 nan 8.360 nan 0.000 0.410 80 I N 3.183 123.761 120.570 0.013 0.000 2.943 80 I HA -0.117 4.078 4.170 0.043 0.000 0.296 80 I C 0.843 176.954 176.117 -0.010 0.000 1.220 80 I CA 0.766 62.076 61.300 0.017 0.000 1.409 80 I CB 0.014 38.030 38.000 0.027 0.000 1.374 80 I HN 0.846 nan 8.210 nan 0.000 0.545 81 T N 5.253 119.786 114.554 -0.034 0.000 2.971 81 T HA 0.310 4.686 4.350 0.043 0.000 0.252 81 T C 0.225 174.823 174.700 -0.169 0.000 1.022 81 T CA 0.194 62.247 62.100 -0.077 0.000 0.980 81 T CB 0.268 69.106 68.868 -0.049 0.000 1.044 81 T HN 0.382 nan 8.240 nan 0.000 0.501 82 V N 2.038 121.841 119.914 -0.185 0.000 3.077 82 V HA 0.437 4.583 4.120 0.043 0.000 0.299 82 V C -1.190 174.848 176.094 -0.093 0.000 1.276 82 V CA -1.175 60.973 62.300 -0.255 0.000 0.993 82 V CB 2.214 33.625 31.823 -0.688 0.000 1.076 82 V HN 0.092 nan 8.190 nan 0.000 0.434 83 I N 2.617 123.172 120.570 -0.025 0.000 2.282 83 I HA 0.259 4.455 4.170 0.043 0.000 0.290 83 I C 0.574 176.740 176.117 0.083 0.000 1.090 83 I CA -0.006 61.337 61.300 0.072 0.000 1.231 83 I CB 0.909 38.994 38.000 0.142 0.000 1.434 83 I HN 0.832 nan 8.210 nan 0.000 0.487 84 E N 5.495 125.751 120.200 0.093 0.000 1.775 84 E HA 0.180 4.556 4.350 0.043 0.000 0.266 84 E C -0.596 176.074 176.600 0.118 0.000 1.191 84 E CA 0.277 56.768 56.400 0.152 0.000 1.048 84 E CB -0.021 29.790 29.700 0.184 0.000 1.081 84 E HN 0.538 nan 8.360 nan 0.000 0.434 85 S N 2.424 118.204 115.700 0.134 0.000 3.424 85 S HA -0.085 4.411 4.470 0.043 0.000 0.845 85 S C -0.535 174.107 174.600 0.071 0.000 0.496 85 S CA -0.373 57.898 58.200 0.118 0.000 1.477 85 S CB -1.076 62.181 63.200 0.095 0.000 0.940 85 S HN 0.538 nan 8.310 nan 0.000 1.045 86 I N 4.540 125.061 120.570 -0.083 0.000 2.312 86 I HA 0.348 4.544 4.170 0.043 0.000 0.291 86 I C -1.806 174.368 176.117 0.095 0.000 1.031 86 I CA -2.031 59.096 61.300 -0.289 0.000 1.293 86 I CB 0.826 38.189 38.000 -1.062 0.000 1.403 86 I HN 0.191 nan 8.210 nan 0.000 0.484 87 P HA 0.115 nan 4.420 nan 0.000 0.279 87 P C -0.215 177.173 177.300 0.146 0.000 1.318 87 P CA -0.204 62.967 63.100 0.119 0.000 0.819 87 P CB 0.712 32.453 31.700 0.069 0.000 0.927 88 V N 4.936 124.883 119.914 0.054 0.000 2.557 88 V HA -0.078 4.067 4.120 0.043 0.000 0.301 88 V C 1.491 177.507 176.094 -0.130 0.000 1.026 88 V CA 0.113 62.311 62.300 -0.169 0.000 1.137 88 V CB -0.926 30.582 31.823 -0.525 0.000 0.917 88 V HN 0.640 nan 8.190 nan 0.000 0.484 89 H N 4.385 123.385 119.070 -0.117 0.000 2.852 89 H HA 0.029 4.611 4.556 0.043 0.000 0.362 89 H C 1.118 176.347 175.328 -0.164 0.000 1.122 89 H CA -0.017 55.976 56.048 -0.092 0.000 1.419 89 H CB 1.103 30.844 29.762 -0.034 0.000 1.401 89 H HN 0.715 nan 8.280 nan 0.000 0.609 90 E N 2.613 122.665 120.200 -0.246 0.000 2.110 90 E HA -0.144 4.232 4.350 0.043 0.000 0.193 90 E C 1.458 178.099 176.600 0.069 0.000 0.988 90 E CA 0.818 57.160 56.400 -0.095 0.000 0.804 90 E CB -0.037 29.587 29.700 -0.128 0.000 0.745 90 E HN 0.627 nan 8.360 nan 0.000 0.458 91 D N 0.306 120.957 120.400 0.418 0.000 2.221 91 D HA -0.114 4.552 4.640 0.043 0.000 0.204 91 D C 2.000 178.329 176.300 0.047 0.000 0.982 91 D CA 0.572 54.663 54.000 0.151 0.000 0.857 91 D CB -0.078 40.703 40.800 -0.031 0.000 0.934 91 D HN 0.270 nan 8.370 nan 0.000 0.475 92 I N 0.501 121.098 120.570 0.045 0.000 2.206 92 I HA -0.199 3.997 4.170 0.043 0.000 0.239 92 I C 2.229 178.326 176.117 -0.033 0.000 1.078 92 I CA 0.861 62.164 61.300 0.005 0.000 1.367 92 I CB -0.163 37.801 38.000 -0.060 0.000 1.078 92 I HN -0.114 nan 8.210 nan 0.000 0.413 93 K N 0.833 121.073 120.400 -0.268 0.000 2.057 93 K HA -0.206 4.140 4.320 0.043 0.000 0.207 93 K C 2.002 178.601 176.600 -0.002 0.000 1.049 93 K CA 1.339 57.407 56.287 -0.365 0.000 0.931 93 K CB -0.237 31.869 32.500 -0.656 0.000 0.714 93 K HN 0.347 nan 8.250 nan 0.000 0.440 94 Q N -0.209 119.558 119.800 -0.055 0.000 2.561 94 Q HA -0.063 4.303 4.340 0.043 0.000 0.217 94 Q C 0.926 176.884 176.000 -0.070 0.000 0.980 94 Q CA 0.642 56.350 55.803 -0.158 0.000 0.927 94 Q CB -0.006 28.561 28.738 -0.284 0.000 0.980 94 Q HN 0.596 nan 8.270 nan 0.000 0.525 95 G N 1.471 110.279 108.800 0.013 0.000 2.180 95 G HA2 -0.344 3.642 3.960 0.043 0.000 0.263 95 G HA3 -0.344 3.642 3.960 0.043 0.000 0.263 95 G C -0.084 174.801 174.900 -0.026 0.000 0.989 95 G CA 0.393 45.504 45.100 0.017 0.000 0.692 95 G HN 0.271 nan 8.290 nan 0.000 0.526 96 K N 0.669 121.049 120.400 -0.033 0.000 2.436 96 K HA 0.199 4.544 4.320 0.043 0.000 0.275 96 K C -0.576 176.008 176.600 -0.026 0.000 0.999 96 K CA -0.860 55.403 56.287 -0.041 0.000 0.980 96 K CB 1.081 33.552 32.500 -0.049 0.000 0.919 96 K HN 0.039 nan 8.250 nan 0.000 0.484 97 P HA -0.249 nan 4.420 nan 0.000 0.216 97 P C 0.377 177.676 177.300 -0.001 0.000 1.153 97 P CA 1.531 64.618 63.100 -0.022 0.000 0.858 97 P CB -0.168 31.518 31.700 -0.024 0.000 0.789 98 N N 0.951 119.642 118.700 -0.015 0.000 2.627 98 N HA -0.127 4.638 4.740 0.043 0.000 0.196 98 N C 1.615 177.115 175.510 -0.016 0.000 1.268 98 N CA 0.173 53.210 53.050 -0.022 0.000 0.904 98 N CB -0.458 37.999 38.487 -0.050 0.000 1.016 98 N HN 0.343 nan 8.380 nan 0.000 0.448 99 R N 0.582 121.098 120.500 0.027 0.000 2.062 99 R HA -0.050 4.315 4.340 0.043 0.000 0.229 99 R C 0.946 177.308 176.300 0.103 0.000 1.128 99 R CA 1.056 57.200 56.100 0.073 0.000 0.960 99 R CB -0.489 29.898 30.300 0.146 0.000 0.855 99 R HN 0.055 nan 8.270 nan 0.000 0.432 100 D N 1.575 122.049 120.400 0.124 0.000 2.133 100 D HA -0.203 4.463 4.640 0.043 0.000 0.192 100 D C 2.014 178.354 176.300 0.067 0.000 1.001 100 D CA 2.015 56.084 54.000 0.115 0.000 0.844 100 D CB -0.169 40.698 40.800 0.112 0.000 0.944 100 D HN 0.479 nan 8.370 nan 0.000 0.447 101 A N 0.997 123.843 122.820 0.044 0.000 1.902 101 A HA -0.120 4.225 4.320 0.043 0.000 0.217 101 A C 2.368 179.973 177.584 0.035 0.000 1.181 101 A CA 0.919 52.973 52.037 0.028 0.000 0.623 101 A CB -0.725 18.281 19.000 0.010 0.000 0.818 101 A HN 0.221 nan 8.150 nan 0.000 0.443 102 L N -0.544 120.695 121.223 0.026 0.000 2.552 102 L HA 0.051 4.417 4.340 0.043 0.000 0.227 102 L C 1.798 178.741 176.870 0.121 0.000 1.146 102 L CA 0.280 55.145 54.840 0.042 0.000 0.858 102 L CB -0.338 41.693 42.059 -0.047 0.000 0.969 102 L HN 0.386 nan 8.230 nan 0.000 0.451 103 I N -1.160 119.481 120.570 0.117 0.000 3.035 103 I HA -0.053 4.143 4.170 0.043 0.000 0.271 103 I C 2.160 178.336 176.117 0.098 0.000 1.190 103 I CA 0.223 61.606 61.300 0.138 0.000 1.472 103 I CB -0.056 38.004 38.000 0.100 0.000 1.116 103 I HN 0.126 nan 8.210 nan 0.000 0.443 104 E N 1.388 121.628 120.200 0.065 0.000 2.204 104 E HA -0.157 4.218 4.350 0.043 0.000 0.195 104 E C 1.510 178.138 176.600 0.046 0.000 0.990 104 E CA 1.202 57.627 56.400 0.041 0.000 0.821 104 E CB -0.376 29.342 29.700 0.030 0.000 0.750 104 E HN 0.581 nan 8.360 nan 0.000 0.477 105 N N -0.967 117.775 118.700 0.069 0.000 2.395 105 N HA -0.066 4.699 4.740 0.043 0.000 0.175 105 N C 1.415 176.948 175.510 0.038 0.000 1.029 105 N CA 0.075 53.161 53.050 0.059 0.000 0.897 105 N CB -0.016 38.514 38.487 0.072 0.000 0.991 105 N HN 0.060 nan 8.380 nan 0.000 0.441 106 Y N 2.008 122.289 120.300 -0.033 0.000 2.457 106 Y HA 0.042 4.618 4.550 0.043 0.000 0.292 106 Y C 1.804 177.636 175.900 -0.114 0.000 1.125 106 Y CA 0.999 59.048 58.100 -0.085 0.000 1.254 106 Y CB 0.239 38.699 38.460 -0.001 0.000 1.012 106 Y HN -0.112 nan 8.280 nan 0.000 0.555 107 K N -0.395 120.044 120.400 0.065 0.000 1.978 107 K HA -0.217 4.128 4.320 0.043 0.000 0.214 107 K C 2.215 178.784 176.600 -0.052 0.000 1.049 107 K CA 2.236 58.519 56.287 -0.007 0.000 0.939 107 K CB -1.150 31.346 32.500 -0.005 0.000 0.721 107 K HN 0.478 nan 8.250 nan 0.000 0.441 108 T N -0.131 114.400 114.554 -0.038 0.000 2.607 108 T HA -0.177 4.198 4.350 0.043 0.000 0.267 108 T C 2.278 176.943 174.700 -0.059 0.000 1.049 108 T CA 2.254 64.337 62.100 -0.027 0.000 1.162 108 T CB -0.609 68.264 68.868 0.009 0.000 0.863 108 T HN 0.078 nan 8.240 nan 0.000 0.424 109 S N 1.625 117.242 115.700 -0.139 0.000 2.393 109 S HA -0.137 4.358 4.470 0.043 0.000 0.235 109 S C 1.990 176.438 174.600 -0.253 0.000 1.061 109 S CA 1.913 59.953 58.200 -0.268 0.000 1.129 109 S CB -0.772 61.939 63.200 -0.814 0.000 1.011 109 S HN 0.540 nan 8.310 nan 0.000 0.436 110 I N 0.813 121.210 120.570 -0.289 0.000 2.118 110 I HA -0.268 3.928 4.170 0.043 0.000 0.241 110 I C 2.810 178.873 176.117 -0.090 0.000 1.070 110 I CA 1.546 62.734 61.300 -0.186 0.000 1.327 110 I CB -0.416 37.510 38.000 -0.123 0.000 1.034 110 I HN 0.250 nan 8.210 nan 0.000 0.405 111 R N 0.535 120.997 120.500 -0.064 0.000 2.073 111 R HA -0.163 4.203 4.340 0.043 0.000 0.234 111 R C 2.105 178.400 176.300 -0.008 0.000 1.134 111 R CA 1.818 57.901 56.100 -0.029 0.000 0.952 111 R CB -0.351 29.936 30.300 -0.022 0.000 0.850 111 R HN 0.362 nan 8.270 nan 0.000 0.433 112 N N 0.001 118.703 118.700 0.003 0.000 2.205 112 N HA -0.142 4.624 4.740 0.043 0.000 0.186 112 N C 1.673 177.209 175.510 0.044 0.000 1.015 112 N CA 0.932 54.002 53.050 0.032 0.000 0.862 112 N CB -0.258 38.266 38.487 0.062 0.000 0.986 112 N HN -0.004 nan 8.380 nan 0.000 0.429 113 V N 0.065 120.005 119.914 0.043 0.000 2.307 113 V HA -0.113 4.033 4.120 0.043 0.000 0.245 113 V C 2.203 178.312 176.094 0.024 0.000 1.045 113 V CA 2.015 64.345 62.300 0.051 0.000 1.024 113 V CB -1.105 30.741 31.823 0.039 0.000 0.651 113 V HN 0.407 nan 8.190 nan 0.000 0.449 114 G N -0.732 108.073 108.800 0.008 0.000 2.625 114 G HA2 0.011 3.996 3.960 0.043 0.000 0.214 114 G HA3 0.011 3.996 3.960 0.043 0.000 0.214 114 G C 1.118 176.023 174.900 0.010 0.000 1.132 114 G CA 0.649 45.754 45.100 0.007 0.000 0.782 114 G HN 0.617 nan 8.290 nan 0.000 0.538 115 A N -0.188 122.640 122.820 0.013 0.000 2.532 115 A HA 0.721 5.067 4.320 0.043 0.000 0.273 115 A C 1.195 178.789 177.584 0.016 0.000 1.342 115 A CA 0.642 52.687 52.037 0.013 0.000 0.929 115 A CB -0.054 18.954 19.000 0.014 0.000 1.051 115 A HN 0.867 nan 8.150 nan 0.000 0.521 116 A N -1.993 120.837 122.820 0.016 0.000 2.758 116 A HA 0.489 4.835 4.320 0.043 0.000 0.223 116 A C 1.354 178.945 177.584 0.011 0.000 0.877 116 A CA 0.653 52.700 52.037 0.017 0.000 1.152 116 A CB -0.799 18.217 19.000 0.026 0.000 1.239 116 A HN 1.800 nan 8.150 nan 0.000 0.470 117 G N 0.384 109.188 108.800 0.006 0.000 2.382 117 G HA2 -0.323 3.663 3.960 0.043 0.000 0.259 117 G HA3 -0.323 3.663 3.960 0.043 0.000 0.259 117 G C 0.393 175.288 174.900 -0.008 0.000 1.009 117 G CA 0.760 45.860 45.100 -0.001 0.000 0.625 117 G HN 0.952 nan 8.290 nan 0.000 0.541 118 I N 2.577 123.145 120.570 -0.004 0.000 2.671 118 I HA 0.127 4.322 4.170 0.043 0.000 0.285 118 I C -0.292 175.808 176.117 -0.028 0.000 1.148 118 I CA -1.062 60.230 61.300 -0.014 0.000 1.386 118 I CB 0.705 38.705 38.000 0.001 0.000 1.406 118 I HN 0.027 nan 8.210 nan 0.000 0.540 119 P HA 0.033 nan 4.420 nan 0.000 0.224 119 P C 0.296 177.557 177.300 -0.065 0.000 1.157 119 P CA 0.747 63.809 63.100 -0.064 0.000 0.799 119 P CB 0.593 32.241 31.700 -0.086 0.000 0.809 120 V N 0.394 120.267 119.914 -0.069 0.000 2.656 120 V HA 0.315 4.460 4.120 0.043 0.000 0.307 120 V C -0.373 175.702 176.094 -0.033 0.000 1.051 120 V CA -0.860 61.410 62.300 -0.049 0.000 0.893 120 V CB 2.927 34.710 31.823 -0.067 0.000 0.999 120 V HN -0.321 nan 8.190 nan 0.000 0.426 121 V N 3.516 123.457 119.914 0.045 0.000 2.407 121 V HA 0.371 4.517 4.120 0.043 0.000 0.291 121 V C 0.084 176.319 176.094 0.235 0.000 1.018 121 V CA -0.554 61.799 62.300 0.089 0.000 0.842 121 V CB 1.556 33.410 31.823 0.050 0.000 0.996 121 V HN 1.060 nan 8.190 nan 0.000 0.426 122 C N 6.763 126.209 119.300 0.242 0.000 2.500 122 C HA 0.917 5.403 4.460 0.043 0.000 0.367 122 C C -0.374 174.860 174.990 0.406 0.000 1.283 122 C CA -0.092 59.127 59.018 0.334 0.000 2.456 122 C CB 0.293 28.282 27.740 0.415 0.000 2.457 122 C HN 1.050 nan 8.230 nan 0.000 0.632 123 Y N 2.058 122.462 120.300 0.173 0.000 2.851 123 Y HA 0.539 5.114 4.550 0.042 0.000 0.359 123 Y C -1.295 174.667 175.900 0.103 0.000 1.231 123 Y CA -0.851 57.335 58.100 0.143 0.000 1.106 123 Y CB 0.247 38.826 38.460 0.199 0.000 1.409 123 Y HN 0.839 nan 8.280 nan 0.000 0.454 124 N N 0.070 118.833 118.700 0.106 0.000 2.455 124 N HA 0.555 5.320 4.740 0.043 0.000 0.278 124 N C -2.241 173.334 175.510 0.108 0.000 1.291 124 N CA -0.880 52.152 53.050 -0.030 0.000 0.780 124 N CB 2.103 40.544 38.487 -0.076 0.000 1.520 124 N HN 0.755 nan 8.380 nan 0.000 0.486 125 F N 0.529 120.390 119.950 -0.147 0.000 2.523 125 F HA 0.478 5.031 4.527 0.043 0.000 0.322 125 F C -0.690 174.984 175.800 -0.210 0.000 1.361 125 F CA -0.532 57.365 58.000 -0.171 0.000 1.151 125 F CB 0.432 39.338 39.000 -0.156 0.000 1.391 125 F HN 0.468 nan 8.300 nan 0.000 0.566 126 M N 4.065 123.527 119.600 -0.230 0.000 2.085 126 M HA 0.439 4.945 4.480 0.043 0.000 0.309 126 M C -2.605 173.488 176.300 -0.345 0.000 0.947 126 M CA -1.987 53.171 55.300 -0.237 0.000 0.918 126 M CB 1.458 33.954 32.600 -0.174 0.000 1.504 126 M HN -0.007 nan 8.290 nan 0.000 0.420 127 P HA -0.043 nan 4.420 nan 0.000 0.263 127 P C 0.546 177.479 177.300 -0.612 0.000 1.168 127 P CA 0.379 62.972 63.100 -0.845 0.000 0.759 127 P CB 0.505 31.434 31.700 -1.284 0.000 0.782 128 V N 0.941 120.523 119.914 -0.553 0.000 0.456 128 V HA -0.322 3.823 4.120 0.043 0.000 0.092 128 V C 0.483 176.069 176.094 -0.847 0.000 2.503 128 V CA 1.884 63.769 62.300 -0.691 0.000 3.694 128 V CB -2.108 29.193 31.823 -0.871 0.000 0.970 128 V HN 0.491 nan 8.190 nan 0.000 1.019 129 F N -0.536 119.295 119.950 -0.198 0.000 2.578 129 F HA 0.639 5.191 4.527 0.042 0.000 0.311 129 F C 0.662 176.338 175.800 -0.208 0.000 1.094 129 F CA -0.691 57.177 58.000 -0.221 0.000 0.923 129 F CB 1.289 40.145 39.000 -0.240 0.000 1.230 129 F HN -0.235 nan 8.300 nan 0.000 0.450 130 D N 1.025 121.420 120.400 -0.008 0.000 2.234 130 D HA -0.039 4.627 4.640 0.043 0.000 0.205 130 D C -0.249 176.120 176.300 0.115 0.000 0.962 130 D CA 1.469 55.479 54.000 0.016 0.000 0.855 130 D CB 0.330 41.177 40.800 0.079 0.000 0.951 130 D HN 0.488 nan 8.370 nan 0.000 0.500 131 W N -0.413 120.887 121.300 -0.001 0.000 3.137 131 W HA 0.501 5.186 4.660 0.041 0.000 0.324 131 W C -1.559 174.896 176.519 -0.107 0.000 1.253 131 W CA -0.815 56.496 57.345 -0.057 0.000 1.183 131 W CB 0.313 29.762 29.460 -0.017 0.000 1.424 131 W HN -0.422 nan 8.180 nan 0.000 0.566 132 T N 3.057 117.679 114.554 0.113 0.000 2.912 132 T HA 0.646 5.022 4.350 0.043 0.000 0.299 132 T C -0.723 174.061 174.700 0.141 0.000 1.052 132 T CA -0.828 61.219 62.100 -0.088 0.000 0.996 132 T CB 2.325 70.985 68.868 -0.347 0.000 1.070 132 T HN 0.309 nan 8.240 nan 0.000 0.465 133 R N 1.144 121.821 120.500 0.296 0.000 2.584 133 R HA 0.399 4.765 4.340 0.043 0.000 0.276 133 R C 1.018 177.483 176.300 0.276 0.000 1.046 133 R CA -0.620 55.683 56.100 0.338 0.000 0.906 133 R CB 1.718 32.218 30.300 0.333 0.000 1.215 133 R HN 0.821 nan 8.270 nan 0.000 0.449 134 S N -0.304 115.526 115.700 0.216 0.000 2.481 134 S HA -0.043 4.453 4.470 0.043 0.000 0.231 134 S C 0.329 174.978 174.600 0.082 0.000 0.996 134 S CA 0.835 59.079 58.200 0.073 0.000 0.942 134 S CB 0.120 63.268 63.200 -0.087 0.000 0.768 134 S HN 0.537 nan 8.310 nan 0.000 0.520 135 D N -0.356 120.100 120.400 0.093 0.000 2.738 135 D HA 0.279 4.945 4.640 0.043 0.000 0.218 135 D C -0.073 176.260 176.300 0.055 0.000 1.345 135 D CA -0.366 53.700 54.000 0.110 0.000 0.943 135 D CB 0.959 41.878 40.800 0.198 0.000 1.514 135 D HN 0.139 nan 8.370 nan 0.000 0.585 136 L N 2.987 124.202 121.223 -0.014 0.000 2.611 136 L HA 0.245 4.611 4.340 0.043 0.000 0.229 136 L C 0.366 176.877 176.870 -0.598 0.000 1.137 136 L CA 0.263 54.944 54.840 -0.265 0.000 0.901 136 L CB 0.048 41.939 42.059 -0.280 0.000 1.098 136 L HN 0.395 nan 8.230 nan 0.000 0.456 137 H N -2.110 116.997 119.070 0.061 0.000 2.946 137 H HA 0.207 4.787 4.556 0.041 0.000 0.217 137 H C -0.875 174.483 175.328 0.050 0.000 1.393 137 H CA -0.449 55.623 56.048 0.039 0.000 1.306 137 H CB 0.207 29.977 29.762 0.013 0.000 2.062 137 H HN 0.107 nan 8.280 nan 0.000 0.520 138 H N 2.739 121.844 119.070 0.059 0.000 2.767 138 H HA 0.169 4.750 4.556 0.042 0.000 0.316 138 H C -2.287 173.060 175.328 0.031 0.000 1.059 138 H CA -1.132 54.939 56.048 0.037 0.000 1.461 138 H CB 0.991 30.764 29.762 0.020 0.000 1.475 138 H HN 0.203 nan 8.280 nan 0.000 0.531 139 P HA 0.030 nan 4.420 nan 0.000 0.271 139 P C -0.564 176.749 177.300 0.021 0.000 1.216 139 P CA 0.138 63.210 63.100 -0.046 0.000 0.771 139 P CB 0.696 32.329 31.700 -0.111 0.000 0.864 140 L N 5.842 127.084 121.223 0.031 0.000 2.332 140 L HA 0.406 4.772 4.340 0.043 0.000 0.269 140 L C -1.192 175.687 176.870 0.015 0.000 1.016 140 L CA -2.155 52.706 54.840 0.036 0.000 0.809 140 L CB 1.371 43.453 42.059 0.037 0.000 1.280 140 L HN 0.253 nan 8.230 nan 0.000 0.447 141 P HA -0.182 nan 4.420 nan 0.000 0.215 141 P C 0.351 177.655 177.300 0.008 0.000 1.157 141 P CA 1.104 64.208 63.100 0.006 0.000 0.874 141 P CB -0.058 31.647 31.700 0.008 0.000 0.790 142 D N -1.515 118.891 120.400 0.010 0.000 2.355 142 D HA 0.072 4.737 4.640 0.043 0.000 0.253 142 D C 1.346 177.657 176.300 0.018 0.000 1.187 142 D CA 0.649 54.657 54.000 0.014 0.000 0.900 142 D CB -1.177 39.630 40.800 0.013 0.000 0.915 142 D HN 0.306 nan 8.370 nan 0.000 0.516 143 G N -0.543 108.265 108.800 0.014 0.000 2.225 143 G HA2 -0.312 3.673 3.960 0.043 0.000 0.254 143 G HA3 -0.312 3.673 3.960 0.043 0.000 0.254 143 G C 0.576 175.486 174.900 0.017 0.000 0.988 143 G CA 0.480 45.590 45.100 0.016 0.000 0.625 143 G HN 0.753 nan 8.290 nan 0.000 0.527 144 S N -0.378 115.329 115.700 0.013 0.000 2.671 144 S HA 0.811 5.307 4.470 0.043 0.000 0.272 144 S C 0.073 174.686 174.600 0.022 0.000 1.174 144 S CA 0.517 58.723 58.200 0.010 0.000 1.004 144 S CB 1.736 64.924 63.200 -0.022 0.000 1.077 144 S HN 1.611 nan 8.310 nan 0.000 0.553 145 T N -1.592 112.982 114.554 0.033 0.000 2.952 145 T HA 0.743 5.119 4.350 0.043 0.000 0.305 145 T C -0.633 174.096 174.700 0.048 0.000 1.064 145 T CA -0.632 61.505 62.100 0.061 0.000 1.008 145 T CB 1.266 70.197 68.868 0.105 0.000 1.078 145 T HN 1.122 nan 8.240 nan 0.000 0.459 146 S N 2.240 117.974 115.700 0.056 0.000 2.618 146 S HA 0.739 5.235 4.470 0.043 0.000 0.277 146 S C -0.540 174.072 174.600 0.020 0.000 1.138 146 S CA -1.288 56.921 58.200 0.016 0.000 0.844 146 S CB 0.783 63.994 63.200 0.018 0.000 1.127 146 S HN 0.847 nan 8.310 nan 0.000 0.474 147 L N 1.305 122.508 121.223 -0.033 0.000 2.461 147 L HA 0.599 4.965 4.340 0.043 0.000 0.272 147 L C 0.468 177.348 176.870 0.017 0.000 1.197 147 L CA -0.025 54.790 54.840 -0.041 0.000 0.836 147 L CB 0.111 42.109 42.059 -0.102 0.000 1.105 147 L HN 0.994 nan 8.230 nan 0.000 0.477 148 A N 2.612 125.418 122.820 -0.023 0.000 2.574 148 A HA 0.677 5.023 4.320 0.043 0.000 0.297 148 A C -1.574 175.891 177.584 -0.199 0.000 1.062 148 A CA -0.419 51.548 52.037 -0.116 0.000 0.686 148 A CB 1.430 20.325 19.000 -0.175 0.000 1.285 148 A HN 0.483 nan 8.150 nan 0.000 0.403 149 F N 2.336 121.860 119.950 -0.710 0.000 2.366 149 F HA 0.633 5.186 4.527 0.043 0.000 0.366 149 F C -1.359 174.217 175.800 -0.374 0.000 1.096 149 F CA -1.211 56.379 58.000 -0.684 0.000 1.060 149 F CB 1.025 39.250 39.000 -1.292 0.000 1.282 149 F HN 0.298 nan 8.300 nan 0.000 0.450 150 L N 7.379 128.312 121.223 -0.483 0.000 2.270 150 L HA 0.335 4.701 4.340 0.043 0.000 0.286 150 L C 1.393 177.938 176.870 -0.542 0.000 1.059 150 L CA 0.033 54.682 54.840 -0.317 0.000 0.839 150 L CB 0.928 42.873 42.059 -0.191 0.000 1.221 150 L HN 0.572 nan 8.230 nan 0.000 0.431 151 K N 0.686 120.755 120.400 -0.551 0.000 2.077 151 K HA -0.230 4.116 4.320 0.043 0.000 0.213 151 K C 1.982 178.407 176.600 -0.291 0.000 1.051 151 K CA 1.891 57.874 56.287 -0.508 0.000 0.929 151 K CB -0.017 32.333 32.500 -0.249 0.000 0.715 151 K HN 0.570 nan 8.250 nan 0.000 0.451 152 S N 0.826 116.429 115.700 -0.163 0.000 2.368 152 S HA -0.142 4.353 4.470 0.043 0.000 0.225 152 S C 1.314 175.859 174.600 -0.092 0.000 1.030 152 S CA 1.466 59.608 58.200 -0.096 0.000 0.999 152 S CB -0.187 62.984 63.200 -0.049 0.000 0.844 152 S HN 0.267 nan 8.310 nan 0.000 0.459 153 D N 0.143 120.477 120.400 -0.111 0.000 2.310 153 D HA -0.003 4.663 4.640 0.043 0.000 0.212 153 D C 0.991 177.252 176.300 -0.065 0.000 0.965 153 D CA 0.504 54.462 54.000 -0.071 0.000 0.879 153 D CB 0.091 40.857 40.800 -0.057 0.000 0.921 153 D HN 0.185 nan 8.370 nan 0.000 0.510 154 L N -0.732 120.412 121.223 -0.131 0.000 2.910 154 L HA 0.424 4.790 4.340 0.043 0.000 0.252 154 L C 1.416 178.271 176.870 -0.026 0.000 1.195 154 L CA -0.057 54.741 54.840 -0.070 0.000 1.003 154 L CB 0.172 42.132 42.059 -0.164 0.000 1.328 154 L HN -0.087 nan 8.230 nan 0.000 0.540 155 A N -0.532 122.272 122.820 -0.026 0.000 1.855 155 A HA 0.107 4.453 4.320 0.043 0.000 0.213 155 A C 1.808 179.441 177.584 0.082 0.000 1.195 155 A CA 0.983 53.027 52.037 0.013 0.000 0.610 155 A CB -0.966 18.029 19.000 -0.009 0.000 0.837 155 A HN 0.384 nan 8.150 nan 0.000 0.444 156 G N 0.400 109.237 108.800 0.062 0.000 3.397 156 G HA2 0.396 4.382 3.960 0.043 0.000 0.248 156 G HA3 0.396 4.382 3.960 0.043 0.000 0.248 156 G C -0.026 174.927 174.900 0.088 0.000 1.284 156 G CA 0.604 45.744 45.100 0.067 0.000 1.570 156 G HN 0.888 nan 8.290 nan 0.000 0.587 157 V N -1.887 118.123 119.914 0.160 0.000 2.443 157 V HA 0.381 4.527 4.120 0.043 0.000 0.293 157 V C -0.742 175.394 176.094 0.070 0.000 1.021 157 V CA -1.709 60.675 62.300 0.140 0.000 0.848 157 V CB 1.926 33.861 31.823 0.186 0.000 0.998 157 V HN 0.105 nan 8.190 nan 0.000 0.424 158 D N 6.767 127.150 120.400 -0.030 0.000 2.339 158 D HA 0.293 4.958 4.640 0.043 0.000 0.256 158 D C -1.512 174.638 176.300 -0.251 0.000 1.214 158 D CA -0.580 53.341 54.000 -0.132 0.000 0.877 158 D CB 1.714 42.476 40.800 -0.063 0.000 1.111 158 D HN 0.578 nan 8.370 nan 0.000 0.478 175 K N -0.275 120.114 120.400 -0.018 0.000 2.412 175 K HA 0.504 4.850 4.320 0.043 0.000 0.201 175 K C 1.671 178.257 176.600 -0.023 0.000 1.275 175 K CA 1.457 57.733 56.287 -0.019 0.000 0.910 175 K CB -0.874 31.618 32.500 -0.013 0.000 1.346 175 K HN 0.816 nan 8.250 nan 0.000 0.490 176 E N 1.213 121.401 120.200 -0.020 0.000 2.072 176 E HA -0.157 4.219 4.350 0.043 0.000 0.191 176 E C 1.937 178.521 176.600 -0.026 0.000 0.985 176 E CA 1.782 58.169 56.400 -0.021 0.000 0.801 176 E CB -0.005 29.686 29.700 -0.016 0.000 0.750 176 E HN 0.610 nan 8.360 nan 0.000 0.452 177 E N -0.643 119.541 120.200 -0.026 0.000 2.130 177 E HA -0.239 4.137 4.350 0.043 0.000 0.196 177 E C 1.872 178.446 176.600 -0.044 0.000 0.998 177 E CA 1.495 57.877 56.400 -0.031 0.000 0.806 177 E CB -0.029 29.655 29.700 -0.026 0.000 0.738 177 E HN 0.358 nan 8.360 nan 0.000 0.459 178 M N 0.453 120.024 119.600 -0.048 0.000 2.077 178 M HA -0.150 4.356 4.480 0.043 0.000 0.261 178 M C 2.348 178.613 176.300 -0.058 0.000 1.070 178 M CA 1.332 56.592 55.300 -0.066 0.000 1.125 178 M CB -0.840 31.724 32.600 -0.061 0.000 1.339 178 M HN 0.013 nan 8.290 nan 0.000 0.409 179 K N 0.167 120.541 120.400 -0.044 0.000 2.362 179 K HA -0.156 4.190 4.320 0.043 0.000 0.202 179 K C 1.555 178.135 176.600 -0.033 0.000 1.045 179 K CA 1.407 57.671 56.287 -0.037 0.000 0.936 179 K CB 0.124 32.607 32.500 -0.030 0.000 0.747 179 K HN 0.296 nan 8.250 nan 0.000 0.467 180 A N 0.699 123.496 122.820 -0.038 0.000 1.920 180 A HA 0.101 4.446 4.320 0.043 0.000 0.209 180 A C 1.933 179.485 177.584 -0.052 0.000 1.229 180 A CA 0.195 52.208 52.037 -0.041 0.000 0.671 180 A CB -0.183 18.793 19.000 -0.039 0.000 0.886 180 A HN 0.232 nan 8.150 nan 0.000 0.461 181 I N 0.125 120.660 120.570 -0.058 0.000 2.226 181 I HA -0.267 3.928 4.170 0.043 0.000 0.245 181 I C 2.249 178.366 176.117 0.000 0.000 1.100 181 I CA 1.367 62.628 61.300 -0.065 0.000 1.374 181 I CB -0.312 37.652 38.000 -0.059 0.000 1.057 181 I HN 0.301 nan 8.210 nan 0.000 0.413 182 I N 0.545 121.115 120.570 0.001 0.000 2.179 182 I HA -0.289 3.906 4.170 0.043 0.000 0.242 182 I C 2.465 178.614 176.117 0.053 0.000 1.088 182 I CA 1.511 62.832 61.300 0.035 0.000 1.357 182 I CB -0.430 37.554 38.000 -0.028 0.000 1.051 182 I HN 0.199 nan 8.210 nan 0.000 0.409 183 E N 0.572 120.778 120.200 0.009 0.000 2.097 183 E HA -0.293 4.082 4.350 0.043 0.000 0.196 183 E C 1.855 178.455 176.600 -0.001 0.000 1.000 183 E CA 1.761 58.164 56.400 0.006 0.000 0.804 183 E CB -0.203 29.490 29.700 -0.011 0.000 0.740 183 E HN 0.401 nan 8.360 nan 0.000 0.454 184 N N -0.152 118.521 118.700 -0.044 0.000 2.013 184 N HA -0.199 4.567 4.740 0.043 0.000 0.195 184 N C 1.573 177.041 175.510 -0.071 0.000 1.051 184 N CA 1.538 54.527 53.050 -0.102 0.000 0.851 184 N CB -0.303 38.057 38.487 -0.212 0.000 1.044 184 N HN 0.190 nan 8.380 nan 0.000 0.422 185 Y N 0.620 120.899 120.300 -0.035 0.000 2.081 185 Y HA -0.234 4.342 4.550 0.043 0.000 0.280 185 Y C 2.651 178.550 175.900 -0.001 0.000 1.163 185 Y CA 1.618 59.702 58.100 -0.027 0.000 1.135 185 Y CB -0.182 38.248 38.460 -0.050 0.000 0.970 185 Y HN 0.085 nan 8.280 nan 0.000 0.498 186 R N -0.180 120.422 120.500 0.171 0.000 2.113 186 R HA -0.270 4.096 4.340 0.043 0.000 0.244 186 R C 2.192 178.538 176.300 0.078 0.000 1.142 186 R CA 2.315 58.481 56.100 0.110 0.000 0.953 186 R CB -0.353 29.999 30.300 0.087 0.000 0.860 186 R HN 0.504 nan 8.270 nan 0.000 0.438 187 Q N -0.989 118.843 119.800 0.053 0.000 2.178 187 Q HA 0.020 4.386 4.340 0.043 0.000 0.195 187 Q C 1.058 177.075 176.000 0.029 0.000 0.960 187 Q CA 1.142 56.965 55.803 0.034 0.000 0.843 187 Q CB 0.347 29.095 28.738 0.017 0.000 0.927 187 Q HN 0.359 nan 8.270 nan 0.000 0.487 188 N N -0.558 118.149 118.700 0.012 0.000 2.205 188 N HA 0.142 4.908 4.740 0.043 0.000 0.201 188 N C -0.769 174.749 175.510 0.013 0.000 1.128 188 N CA 0.087 53.138 53.050 0.003 0.000 0.867 188 N CB 1.079 39.553 38.487 -0.022 0.000 0.996 188 N HN 0.052 nan 8.380 nan 0.000 0.503 189 I N 1.614 122.209 120.570 0.041 0.000 2.371 189 I HA 0.226 4.422 4.170 0.043 0.000 0.282 189 I C 0.612 176.803 176.117 0.123 0.000 1.031 189 I CA -0.492 60.860 61.300 0.086 0.000 1.180 189 I CB 0.478 38.563 38.000 0.142 0.000 1.336 189 I HN 0.045 nan 8.210 nan 0.000 0.467 190 S N 4.830 120.595 115.700 0.108 0.000 2.632 190 S HA 0.320 4.816 4.470 0.043 0.000 0.267 190 S C 0.967 175.651 174.600 0.139 0.000 1.193 190 S CA -0.406 57.862 58.200 0.114 0.000 1.003 190 S CB 1.542 64.802 63.200 0.101 0.000 1.073 190 S HN 0.585 nan 8.310 nan 0.000 0.553 191 E N 0.386 120.677 120.200 0.151 0.000 2.016 191 E HA -0.108 4.268 4.350 0.043 0.000 0.190 191 E C 2.120 178.901 176.600 0.303 0.000 0.985 191 E CA 0.862 57.378 56.400 0.194 0.000 0.802 191 E CB -0.194 29.638 29.700 0.220 0.000 0.762 191 E HN 0.602 nan 8.360 nan 0.000 0.448 192 E N 1.194 121.572 120.200 0.295 0.000 2.114 192 E HA -0.229 4.147 4.350 0.043 0.000 0.199 192 E C 1.725 178.483 176.600 0.263 0.000 1.008 192 E CA 1.154 57.732 56.400 0.296 0.000 0.810 192 E CB -0.270 29.529 29.700 0.165 0.000 0.739 192 E HN 0.282 nan 8.360 nan 0.000 0.456 193 D N 0.469 120.983 120.400 0.189 0.000 2.123 193 D HA -0.153 4.513 4.640 0.043 0.000 0.196 193 D C 2.142 178.556 176.300 0.189 0.000 0.992 193 D CA 0.595 54.690 54.000 0.159 0.000 0.833 193 D CB -0.324 40.546 40.800 0.117 0.000 0.954 193 D HN 0.101 nan 8.370 nan 0.000 0.455 194 L N -0.669 120.665 121.223 0.185 0.000 2.093 194 L HA -0.072 4.294 4.340 0.043 0.000 0.208 194 L C 2.058 178.992 176.870 0.106 0.000 1.085 194 L CA 1.246 56.188 54.840 0.169 0.000 0.755 194 L CB -0.315 41.801 42.059 0.095 0.000 0.904 194 L HN 0.089 nan 8.230 nan 0.000 0.435 195 W N -0.848 120.525 121.300 0.122 0.000 2.363 195 W HA -0.204 4.482 4.660 0.044 0.000 0.296 195 W C 2.515 179.075 176.519 0.067 0.000 1.212 195 W CA 1.336 58.726 57.345 0.075 0.000 1.260 195 W CB -0.430 29.071 29.460 0.069 0.000 1.131 195 W HN 0.240 nan 8.180 nan 0.000 0.530 196 A N 0.899 123.910 122.820 0.318 0.000 1.851 196 A HA -0.259 4.086 4.320 0.043 0.000 0.216 196 A C 1.820 179.534 177.584 0.217 0.000 1.195 196 A CA 2.114 54.285 52.037 0.224 0.000 0.622 196 A CB -1.042 18.056 19.000 0.163 0.000 0.831 196 A HN 0.310 nan 8.150 nan 0.000 0.444 197 N N -0.307 118.529 118.700 0.226 0.000 2.309 197 N HA -0.091 4.675 4.740 0.043 0.000 0.182 197 N C 1.509 177.180 175.510 0.268 0.000 1.018 197 N CA 1.234 54.464 53.050 0.299 0.000 0.876 197 N CB -0.502 38.196 38.487 0.353 0.000 0.972 197 N HN 0.432 nan 8.380 nan 0.000 0.434 198 L N 1.660 122.819 121.223 -0.107 0.000 2.056 198 L HA -0.047 4.318 4.340 0.043 0.000 0.207 198 L C 2.198 179.047 176.870 -0.035 0.000 1.078 198 L CA 1.707 56.133 54.840 -0.690 0.000 0.749 198 L CB -0.557 40.956 42.059 -0.910 0.000 0.901 198 L HN 0.118 nan 8.230 nan 0.000 0.433 199 E N -1.490 118.787 120.200 0.127 0.000 2.031 199 E HA -0.307 4.069 4.350 0.043 0.000 0.193 199 E C 2.234 178.946 176.600 0.187 0.000 0.994 199 E CA 1.560 58.064 56.400 0.172 0.000 0.800 199 E CB -0.420 29.393 29.700 0.188 0.000 0.752 199 E HN 0.590 nan 8.360 nan 0.000 0.447 200 Y N 0.453 120.822 120.300 0.115 0.000 2.102 200 Y HA -0.315 4.260 4.550 0.043 0.000 0.280 200 Y C 2.022 177.997 175.900 0.125 0.000 1.178 200 Y CA 2.310 60.477 58.100 0.112 0.000 1.146 200 Y CB -0.629 37.904 38.460 0.123 0.000 0.968 200 Y HN 0.212 nan 8.280 nan 0.000 0.504 201 F N -0.658 119.326 119.950 0.057 0.000 2.259 201 F HA -0.130 4.422 4.527 0.042 0.000 0.298 201 F C 1.788 177.521 175.800 -0.112 0.000 1.088 201 F CA 1.039 59.018 58.000 -0.034 0.000 1.358 201 F CB -0.324 38.751 39.000 0.125 0.000 1.040 201 F HN 0.006 nan 8.300 nan 0.000 0.505 202 I N 1.839 122.309 120.570 -0.166 0.000 2.277 202 I HA -0.186 4.010 4.170 0.043 0.000 0.243 202 I C 2.230 178.193 176.117 -0.256 0.000 1.094 202 I CA 1.411 62.552 61.300 -0.264 0.000 1.393 202 I CB -1.206 36.793 38.000 -0.001 0.000 1.078 202 I HN 0.262 nan 8.210 nan 0.000 0.417 203 K N 1.085 121.453 120.400 -0.053 0.000 2.504 203 K HA 0.082 4.427 4.320 0.043 0.000 0.195 203 K C 1.874 178.421 176.600 -0.088 0.000 1.036 203 K CA 0.985 57.326 56.287 0.090 0.000 0.984 203 K CB -0.175 32.389 32.500 0.106 0.000 0.788 203 K HN 0.156 nan 8.250 nan 0.000 0.488 204 A N 2.680 125.339 122.820 -0.270 0.000 1.835 204 A HA -0.018 4.328 4.320 0.043 0.000 0.213 204 A C 2.221 179.626 177.584 -0.298 0.000 1.210 204 A CA 1.158 53.007 52.037 -0.313 0.000 0.605 204 A CB -0.527 18.227 19.000 -0.410 0.000 0.860 204 A HN 0.476 nan 8.150 nan 0.000 0.447 205 I N -3.016 117.281 120.570 -0.454 0.000 3.564 205 I HA 0.101 4.297 4.170 0.043 0.000 0.294 205 I C 1.628 177.534 176.117 -0.352 0.000 1.289 205 I CA 0.209 61.264 61.300 -0.409 0.000 1.325 205 I CB -0.020 37.627 38.000 -0.589 0.000 1.039 205 I HN 0.093 nan 8.210 nan 0.000 0.474 206 L N 1.698 122.670 121.223 -0.418 0.000 1.988 206 L HA 0.038 4.404 4.340 0.043 0.000 0.207 206 L C 0.187 176.893 176.870 -0.274 0.000 1.071 206 L CA 2.366 56.890 54.840 -0.526 0.000 0.744 206 L CB -2.235 38.994 42.059 -1.383 0.000 0.893 206 L HN 0.197 nan 8.230 nan 0.000 0.433 207 P HA -0.165 nan 4.420 nan 0.000 0.218 207 P C 1.633 178.885 177.300 -0.080 0.000 1.154 207 P CA 1.881 64.944 63.100 -0.062 0.000 0.872 207 P CB -0.082 31.602 31.700 -0.028 0.000 0.790 208 T N -0.773 113.721 114.554 -0.101 0.000 2.720 208 T HA -0.179 4.197 4.350 0.043 0.000 0.268 208 T C 1.878 176.537 174.700 -0.068 0.000 1.037 208 T CA 1.753 63.805 62.100 -0.081 0.000 1.144 208 T CB -0.972 67.843 68.868 -0.089 0.000 0.864 208 T HN 0.097 nan 8.240 nan 0.000 0.444 209 A N 1.343 124.111 122.820 -0.087 0.000 1.969 209 A HA -0.077 4.268 4.320 0.043 0.000 0.218 209 A C 2.137 179.729 177.584 0.012 0.000 1.169 209 A CA 1.417 53.430 52.037 -0.039 0.000 0.635 209 A CB -0.397 18.574 19.000 -0.047 0.000 0.810 209 A HN 0.575 nan 8.150 nan 0.000 0.445 210 E N -0.139 120.032 120.200 -0.049 0.000 2.230 210 E HA -0.112 4.263 4.350 0.043 0.000 0.192 210 E C 1.682 178.264 176.600 -0.031 0.000 0.987 210 E CA 0.888 57.240 56.400 -0.079 0.000 0.841 210 E CB -0.049 29.536 29.700 -0.192 0.000 0.783 210 E HN 0.919 nan 8.360 nan 0.000 0.481 211 E N 0.248 120.431 120.200 -0.027 0.000 2.494 211 E HA 0.082 4.458 4.350 0.043 0.000 0.193 211 E C 1.101 177.699 176.600 -0.003 0.000 1.074 211 E CA 0.486 56.876 56.400 -0.016 0.000 0.867 211 E CB 0.476 30.163 29.700 -0.022 0.000 0.924 211 E HN 0.167 nan 8.360 nan 0.000 0.502 212 A N 0.140 122.966 122.820 0.010 0.000 2.340 212 A HA 0.566 4.912 4.320 0.043 0.000 0.213 212 A C 1.645 179.247 177.584 0.029 0.000 1.299 212 A CA 0.530 52.574 52.037 0.012 0.000 0.994 212 A CB 0.677 19.675 19.000 -0.003 0.000 1.132 212 A HN 0.465 nan 8.150 nan 0.000 0.519 213 G N -0.655 108.184 108.800 0.064 0.000 2.659 213 G HA2 -0.217 3.768 3.960 0.043 0.000 0.212 213 G HA3 -0.217 3.768 3.960 0.043 0.000 0.212 213 G C 0.383 175.330 174.900 0.079 0.000 1.226 213 G CA -0.124 45.022 45.100 0.077 0.000 0.739 213 G HN 1.073 nan 8.290 nan 0.000 0.528 214 V N 2.821 122.760 119.914 0.042 0.000 2.800 214 V HA 0.089 4.235 4.120 0.043 0.000 0.299 214 V C 0.909 177.026 176.094 0.038 0.000 1.151 214 V CA 1.306 63.617 62.300 0.019 0.000 1.297 214 V CB 0.205 32.032 31.823 0.006 0.000 0.835 214 V HN 0.510 nan 8.190 nan 0.000 0.484 215 K N 5.715 126.094 120.400 -0.034 0.000 2.201 215 K HA 0.491 4.837 4.320 0.043 0.000 0.278 215 K C -0.316 176.342 176.600 0.097 0.000 1.027 215 K CA -0.681 55.592 56.287 -0.023 0.000 0.909 215 K CB 0.987 33.403 32.500 -0.140 0.000 1.062 215 K HN 0.483 nan 8.250 nan 0.000 0.465 216 M N 2.263 121.966 119.600 0.172 0.000 2.157 216 M HA 0.328 4.833 4.480 0.043 0.000 0.354 216 M C -0.401 176.136 176.300 0.396 0.000 1.170 216 M CA -0.636 54.840 55.300 0.294 0.000 1.060 216 M CB 1.188 33.946 32.600 0.264 0.000 1.615 216 M HN 0.665 nan 8.290 nan 0.000 0.460 217 A N 5.044 128.117 122.820 0.423 0.000 2.363 217 A HA 0.644 4.990 4.320 0.043 0.000 0.296 217 A C -0.620 176.900 177.584 -0.108 0.000 1.237 217 A CA -0.661 51.511 52.037 0.225 0.000 0.773 217 A CB 0.585 19.746 19.000 0.268 0.000 1.153 217 A HN 0.916 nan 8.150 nan 0.000 0.473 218 I N 2.869 123.194 120.570 -0.408 0.000 2.474 218 I HA 0.195 4.391 4.170 0.043 0.000 0.287 218 I C 0.064 175.875 176.117 -0.509 0.000 1.048 218 I CA -0.276 60.493 61.300 -0.885 0.000 1.383 218 I CB 0.501 37.865 38.000 -1.060 0.000 1.412 218 I HN 0.715 nan 8.210 nan 0.000 0.531 219 H N 8.980 127.747 119.070 -0.504 0.000 2.580 219 H HA 0.404 4.986 4.556 0.043 0.000 0.322 219 H C -2.380 172.704 175.328 -0.408 0.000 1.082 219 H CA -1.953 53.851 56.048 -0.405 0.000 1.383 219 H CB 1.189 30.758 29.762 -0.322 0.000 1.450 219 H HN 0.412 nan 8.280 nan 0.000 0.505 220 P HA -0.026 nan 4.420 nan 0.000 0.272 220 P C -0.522 176.636 177.300 -0.236 0.000 1.230 220 P CA -0.338 62.492 63.100 -0.451 0.000 0.788 220 P CB 1.196 32.201 31.700 -1.158 0.000 0.949 221 D N 0.597 120.834 120.400 -0.272 0.000 2.372 221 D HA 0.148 4.814 4.640 0.043 0.000 0.243 221 D C -0.062 176.062 176.300 -0.293 0.000 1.121 221 D CA 0.773 54.637 54.000 -0.226 0.000 0.898 221 D CB 0.428 41.105 40.800 -0.205 0.000 1.202 221 D HN 0.328 nan 8.370 nan 0.000 0.428 222 D N 1.134 121.391 120.400 -0.237 0.000 2.469 222 D HA 0.286 4.952 4.640 0.043 0.000 0.251 222 D C -2.706 173.446 176.300 -0.246 0.000 1.173 222 D CA -1.981 51.862 54.000 -0.262 0.000 0.882 222 D CB 1.580 42.296 40.800 -0.141 0.000 1.129 222 D HN -0.091 nan 8.370 nan 0.000 0.549 223 P HA 0.227 nan 4.420 nan 0.000 0.272 223 P C -2.289 174.590 177.300 -0.703 0.000 1.223 223 P CA -1.310 61.393 63.100 -0.662 0.000 0.784 223 P CB 0.205 31.343 31.700 -0.937 0.000 0.923 224 P HA 0.089 nan 4.420 nan 0.000 0.235 224 P C -1.225 175.944 177.300 -0.219 0.000 1.725 224 P CA 0.228 63.092 63.100 -0.394 0.000 0.894 224 P CB -0.745 30.786 31.700 -0.282 0.000 1.704 225 Y N -3.810 116.459 120.300 -0.052 0.000 2.689 225 Y HA 0.690 5.266 4.550 0.044 0.000 0.333 225 Y C 0.106 175.995 175.900 -0.019 0.000 1.208 225 Y CA -2.124 55.966 58.100 -0.015 0.000 1.055 225 Y CB 0.018 38.483 38.460 0.009 0.000 1.304 225 Y HN -0.066 nan 8.280 nan 0.000 0.455 226 G N 1.132 110.090 108.800 0.263 0.000 2.432 226 G HA2 0.516 4.502 3.960 0.043 0.000 0.257 226 G HA3 0.516 4.502 3.960 0.043 0.000 0.257 226 G C -0.737 174.284 174.900 0.200 0.000 1.238 226 G CA -0.358 44.836 45.100 0.156 0.000 0.838 226 G HN 1.026 nan 8.290 nan 0.000 0.547 227 I N -1.654 118.993 120.570 0.128 0.000 3.042 227 I HA 0.711 4.907 4.170 0.043 0.000 0.310 227 I C -0.293 175.901 176.117 0.128 0.000 1.117 227 I CA -1.297 60.041 61.300 0.062 0.000 1.003 227 I CB 1.834 39.814 38.000 -0.034 0.000 1.228 227 I HN 0.477 nan 8.210 nan 0.000 0.443 228 F N 3.536 123.575 119.950 0.148 0.000 3.048 228 F HA -0.129 4.423 4.527 0.042 0.000 0.269 228 F C 1.614 177.472 175.800 0.096 0.000 0.960 228 F CA 1.412 59.486 58.000 0.123 0.000 0.909 228 F CB -1.915 37.180 39.000 0.159 0.000 0.837 228 F HN 1.089 nan 8.300 nan 0.000 0.768 229 G N -0.918 108.023 108.800 0.236 0.000 2.284 229 G HA2 -0.372 3.614 3.960 0.043 0.000 0.268 229 G HA3 -0.372 3.614 3.960 0.043 0.000 0.268 229 G C 0.505 175.487 174.900 0.136 0.000 0.980 229 G CA 0.443 45.639 45.100 0.160 0.000 0.631 229 G HN 0.552 nan 8.290 nan 0.000 0.548 230 L N 2.655 123.968 121.223 0.151 0.000 2.397 230 L HA 0.366 4.732 4.340 0.043 0.000 0.271 230 L C -1.214 175.679 176.870 0.038 0.000 1.148 230 L CA -1.794 53.089 54.840 0.072 0.000 0.825 230 L CB 0.778 42.864 42.059 0.044 0.000 1.117 230 L HN 0.035 nan 8.230 nan 0.000 0.456 231 P HA 0.351 nan 4.420 nan 0.000 0.277 231 P C -1.186 176.078 177.300 -0.061 0.000 1.240 231 P CA -0.652 62.448 63.100 0.000 0.000 0.798 231 P CB 1.450 33.166 31.700 0.026 0.000 0.979 232 R N 1.187 121.669 120.500 -0.031 0.000 2.744 232 R HA 0.532 4.897 4.340 0.043 0.000 0.279 232 R C 0.664 176.931 176.300 -0.055 0.000 0.977 232 R CA -0.607 55.450 56.100 -0.073 0.000 0.906 232 R CB 1.235 31.495 30.300 -0.067 0.000 1.197 232 R HN 0.505 nan 8.270 nan 0.000 0.463 233 I N -1.922 118.566 120.570 -0.137 0.000 4.557 233 I HA 0.423 4.618 4.170 0.043 0.000 0.333 233 I C -0.238 175.806 176.117 -0.122 0.000 1.332 233 I CA -0.041 61.161 61.300 -0.164 0.000 1.240 233 I CB 0.816 38.439 38.000 -0.628 0.000 1.312 233 I HN 0.179 nan 8.210 nan 0.000 0.457 234 I N 3.560 124.044 120.570 -0.142 0.000 2.317 234 I HA 0.287 4.483 4.170 0.043 0.000 0.286 234 I C 0.948 177.056 176.117 -0.015 0.000 1.119 234 I CA 0.018 61.273 61.300 -0.075 0.000 1.228 234 I CB -0.320 37.567 38.000 -0.190 0.000 1.476 234 I HN 0.329 nan 8.210 nan 0.000 0.514 235 T N -0.150 114.469 114.554 0.109 0.000 2.964 235 T HA 0.510 4.886 4.350 0.043 0.000 0.250 235 T C 0.749 175.590 174.700 0.234 0.000 0.982 235 T CA 0.327 62.496 62.100 0.115 0.000 0.959 235 T CB 1.269 70.199 68.868 0.103 0.000 1.141 235 T HN 0.543 nan 8.240 nan 0.000 0.494 236 G N 0.535 109.456 108.800 0.202 0.000 2.428 236 G HA2 0.394 4.380 3.960 0.043 0.000 0.304 236 G HA3 0.394 4.380 3.960 0.043 0.000 0.304 236 G C -0.125 174.734 174.900 -0.067 0.000 1.303 236 G CA 0.180 45.306 45.100 0.042 0.000 0.825 236 G HN 0.031 nan 8.290 nan 0.000 0.484 237 Q N 0.051 119.758 119.800 -0.153 0.000 2.045 237 Q HA -0.151 4.215 4.340 0.043 0.000 0.206 237 Q C 2.288 178.191 176.000 -0.161 0.000 0.991 237 Q CA 3.389 59.068 55.803 -0.207 0.000 0.851 237 Q CB -0.522 28.080 28.738 -0.228 0.000 0.911 237 Q HN 0.710 nan 8.270 nan 0.000 0.418 238 E N 0.268 120.405 120.200 -0.105 0.000 2.086 238 E HA -0.226 4.150 4.350 0.043 0.000 0.200 238 E C 1.866 178.460 176.600 -0.011 0.000 1.012 238 E CA 1.853 58.210 56.400 -0.071 0.000 0.812 238 E CB -0.989 28.689 29.700 -0.036 0.000 0.743 238 E HN 0.447 nan 8.360 nan 0.000 0.453 239 A N 1.022 123.894 122.820 0.086 0.000 1.898 239 A HA 0.004 4.350 4.320 0.043 0.000 0.214 239 A C 2.544 180.309 177.584 0.302 0.000 1.183 239 A CA 1.031 53.228 52.037 0.266 0.000 0.622 239 A CB -0.725 18.502 19.000 0.378 0.000 0.824 239 A HN 0.143 nan 8.150 nan 0.000 0.444 240 V N 0.435 120.454 119.914 0.174 0.000 2.250 240 V HA -0.370 3.775 4.120 0.043 0.000 0.250 240 V C 2.446 178.692 176.094 0.253 0.000 1.060 240 V CA 2.570 64.990 62.300 0.201 0.000 1.030 240 V CB -0.965 30.898 31.823 0.066 0.000 0.643 240 V HN 0.648 nan 8.190 nan 0.000 0.445 241 E N -0.592 119.674 120.200 0.109 0.000 2.070 241 E HA -0.283 4.093 4.350 0.043 0.000 0.197 241 E C 2.536 179.197 176.600 0.101 0.000 1.004 241 E CA 1.460 57.921 56.400 0.102 0.000 0.805 241 E CB -0.227 29.435 29.700 -0.064 0.000 0.744 241 E HN 0.369 nan 8.360 nan 0.000 0.451 242 R N -0.159 120.364 120.500 0.038 0.000 2.120 242 R HA -0.140 4.225 4.340 0.043 0.000 0.234 242 R C 2.222 178.581 176.300 0.098 0.000 1.123 242 R CA 0.913 56.959 56.100 -0.091 0.000 0.975 242 R CB -0.228 29.772 30.300 -0.500 0.000 0.866 242 R HN 0.179 nan 8.270 nan 0.000 0.446 243 F N 1.159 121.238 119.950 0.214 0.000 2.060 243 F HA -0.211 4.342 4.527 0.043 0.000 0.295 243 F C 1.834 177.759 175.800 0.208 0.000 1.120 243 F CA 1.144 59.335 58.000 0.318 0.000 1.205 243 F CB -0.568 38.609 39.000 0.296 0.000 0.986 243 F HN -0.110 nan 8.300 nan 0.000 0.470 244 L N 1.303 122.600 121.223 0.123 0.000 1.997 244 L HA -0.325 4.041 4.340 0.043 0.000 0.216 244 L C 2.205 179.032 176.870 -0.072 0.000 1.074 244 L CA 1.884 56.724 54.840 0.000 0.000 0.763 244 L CB -1.694 40.463 42.059 0.163 0.000 0.890 244 L HN 0.241 nan 8.230 nan 0.000 0.434 245 N N -0.719 117.977 118.700 -0.007 0.000 2.309 245 N HA -0.108 4.658 4.740 0.043 0.000 0.182 245 N C 1.962 177.442 175.510 -0.049 0.000 1.018 245 N CA 0.628 53.665 53.050 -0.023 0.000 0.876 245 N CB -0.276 38.202 38.487 -0.015 0.000 0.972 245 N HN 0.320 nan 8.380 nan 0.000 0.434 246 L N -1.069 120.119 121.223 -0.059 0.000 2.151 246 L HA -0.198 4.168 4.340 0.043 0.000 0.215 246 L C 0.024 176.900 176.870 0.009 0.000 1.084 246 L CA 1.291 56.118 54.840 -0.021 0.000 0.764 246 L CB -0.154 41.908 42.059 0.004 0.000 0.891 246 L HN 0.241 nan 8.230 nan 0.000 0.435 247 Y N -0.355 119.841 120.300 -0.172 0.000 2.389 247 Y HA 0.175 4.751 4.550 0.044 0.000 0.333 247 Y C -0.604 175.220 175.900 -0.127 0.000 1.168 247 Y CA -1.503 56.512 58.100 -0.143 0.000 1.383 247 Y CB 0.235 38.597 38.460 -0.164 0.000 1.146 247 Y HN -0.102 nan 8.280 nan 0.000 0.503 248 D N 3.373 123.770 120.400 -0.006 0.000 2.357 248 D HA 0.269 4.934 4.640 0.043 0.000 0.265 248 D C -0.596 175.752 176.300 0.079 0.000 1.334 248 D CA 1.220 55.232 54.000 0.019 0.000 0.984 248 D CB 0.473 41.255 40.800 -0.031 0.000 1.077 248 D HN 0.400 nan 8.370 nan 0.000 0.514 249 S N 2.669 118.456 115.700 0.146 0.000 2.579 249 S HA 0.088 4.583 4.470 0.043 0.000 0.290 249 S C 0.598 175.301 174.600 0.172 0.000 1.123 249 S CA -0.659 57.640 58.200 0.165 0.000 0.894 249 S CB 1.185 64.547 63.200 0.271 0.000 1.095 249 S HN 0.228 nan 8.310 nan 0.000 0.450 250 E N 1.340 121.665 120.200 0.209 0.000 2.209 250 E HA -0.094 4.282 4.350 0.043 0.000 0.196 250 E C 0.623 177.408 176.600 0.308 0.000 0.993 250 E CA 1.508 58.058 56.400 0.250 0.000 0.819 250 E CB -0.092 29.745 29.700 0.227 0.000 0.745 250 E HN 0.711 nan 8.360 nan 0.000 0.477 251 H N -1.344 117.754 119.070 0.047 0.000 2.539 251 H HA 0.164 4.745 4.556 0.043 0.000 0.267 251 H C -0.067 175.276 175.328 0.025 0.000 0.982 251 H CA 0.115 56.182 56.048 0.031 0.000 1.146 251 H CB -0.258 29.500 29.762 -0.008 0.000 1.382 251 H HN -0.059 nan 8.280 nan 0.000 0.577 252 N N 1.077 119.868 118.700 0.151 0.000 2.816 252 N HA 0.369 5.134 4.740 0.043 0.000 0.236 252 N C -0.082 175.565 175.510 0.228 0.000 1.076 252 N CA -0.126 52.983 53.050 0.099 0.000 0.902 252 N CB 0.385 38.830 38.487 -0.070 0.000 1.149 252 N HN 0.361 nan 8.380 nan 0.000 0.506 253 G N 1.270 110.300 108.800 0.383 0.000 3.058 253 G HA2 0.572 4.558 3.960 0.043 0.000 0.282 253 G HA3 0.572 4.558 3.960 0.043 0.000 0.282 253 G C -0.883 174.259 174.900 0.404 0.000 1.248 253 G CA -0.719 44.639 45.100 0.430 0.000 0.822 253 G HN 0.431 nan 8.290 nan 0.000 0.579 254 I N -2.750 117.942 120.570 0.203 0.000 3.067 254 I HA 0.772 4.968 4.170 0.043 0.000 0.312 254 I C -0.867 175.250 176.117 0.000 0.000 1.073 254 I CA -0.821 60.480 61.300 0.001 0.000 1.016 254 I CB 2.365 40.343 38.000 -0.037 0.000 1.227 254 I HN 0.307 nan 8.210 nan 0.000 0.456 255 T N 4.328 118.802 114.554 -0.134 0.000 2.743 255 T HA 0.365 4.740 4.350 0.043 0.000 0.292 255 T C -0.228 174.286 174.700 -0.310 0.000 0.972 255 T CA -0.203 61.772 62.100 -0.209 0.000 0.967 255 T CB 0.666 69.324 68.868 -0.350 0.000 0.926 255 T HN 0.538 nan 8.240 nan 0.000 0.459 256 M N 4.911 124.351 119.600 -0.267 0.000 2.201 256 M HA 0.320 4.826 4.480 0.043 0.000 0.345 256 M C -0.489 175.645 176.300 -0.276 0.000 1.352 256 M CA -1.064 54.103 55.300 -0.223 0.000 1.218 256 M CB -0.650 31.798 32.600 -0.254 0.000 1.512 256 M HN 0.616 nan 8.290 nan 0.000 0.447 257 C N 7.167 126.298 119.300 -0.281 0.000 2.184 257 C HA 0.400 4.886 4.460 0.043 0.000 0.328 257 C C 1.779 176.674 174.990 -0.158 0.000 1.081 257 C CA -0.310 58.503 59.018 -0.342 0.000 1.533 257 C CB -1.510 25.820 27.740 -0.683 0.000 1.905 257 C HN 0.866 nan 8.230 nan 0.000 0.439 258 V N 4.205 124.057 119.914 -0.103 0.000 2.660 258 V HA 0.021 4.167 4.120 0.043 0.000 0.257 258 V C 1.995 178.044 176.094 -0.075 0.000 1.088 258 V CA 2.610 64.885 62.300 -0.042 0.000 1.106 258 V CB -1.176 30.616 31.823 -0.051 0.000 0.686 258 V HN 0.806 nan 8.190 nan 0.000 0.481 259 G N 0.081 108.789 108.800 -0.154 0.000 2.408 259 G HA2 -0.116 3.870 3.960 0.043 0.000 0.213 259 G HA3 -0.116 3.870 3.960 0.043 0.000 0.213 259 G C 1.626 176.333 174.900 -0.321 0.000 1.177 259 G CA 0.873 45.849 45.100 -0.207 0.000 0.802 259 G HN 0.564 nan 8.290 nan 0.000 0.533 260 S N 0.539 116.009 115.700 -0.382 0.000 2.351 260 S HA -0.179 4.316 4.470 0.043 0.000 0.220 260 S C 2.078 176.385 174.600 -0.488 0.000 1.035 260 S CA 1.508 59.397 58.200 -0.518 0.000 1.031 260 S CB -0.663 62.190 63.200 -0.580 0.000 0.928 260 S HN 0.503 nan 8.310 nan 0.000 0.433 261 Y N 1.438 121.565 120.300 -0.288 0.000 2.274 261 Y HA -0.002 4.574 4.550 0.044 0.000 0.290 261 Y C 2.553 178.332 175.900 -0.201 0.000 1.145 261 Y CA 0.582 58.545 58.100 -0.229 0.000 1.203 261 Y CB -0.343 38.004 38.460 -0.188 0.000 0.984 261 Y HN 0.305 nan 8.280 nan 0.000 0.533 262 A N -1.125 121.656 122.820 -0.065 0.000 2.208 262 A HA -0.041 4.305 4.320 0.043 0.000 0.209 262 A C 2.164 179.658 177.584 -0.149 0.000 1.161 262 A CA 0.924 52.910 52.037 -0.084 0.000 0.782 262 A CB -0.556 18.404 19.000 -0.068 0.000 0.816 262 A HN 0.304 nan 8.150 nan 0.000 0.477 263 S N 0.226 115.746 115.700 -0.299 0.000 2.419 263 S HA -0.096 4.400 4.470 0.043 0.000 0.233 263 S C 0.667 175.215 174.600 -0.086 0.000 1.016 263 S CA 0.804 58.775 58.200 -0.381 0.000 0.974 263 S CB -0.163 62.400 63.200 -1.061 0.000 0.786 263 S HN 0.618 nan 8.310 nan 0.000 0.492 264 D N 0.520 120.900 120.400 -0.033 0.000 2.396 264 D HA 0.263 4.928 4.640 0.043 0.000 0.225 264 D C -1.954 174.356 176.300 0.017 0.000 1.121 264 D CA -2.368 51.687 54.000 0.091 0.000 0.853 264 D CB 1.506 42.401 40.800 0.158 0.000 1.043 264 D HN -0.058 nan 8.370 nan 0.000 0.500 265 P HA -0.180 nan 4.420 nan 0.000 0.217 265 P C 1.111 178.405 177.300 -0.010 0.000 1.148 265 P CA 1.071 64.160 63.100 -0.018 0.000 0.834 265 P CB 0.448 32.129 31.700 -0.031 0.000 0.783 266 K N -1.370 119.030 120.400 0.000 0.000 2.155 266 K HA 0.011 4.357 4.320 0.043 0.000 0.203 266 K C 0.711 177.305 176.600 -0.010 0.000 1.052 266 K CA 0.492 56.776 56.287 -0.004 0.000 0.948 266 K CB -1.186 31.314 32.500 0.001 0.000 0.728 266 K HN 0.210 nan 8.250 nan 0.000 0.448 267 N N 2.288 120.986 118.700 -0.003 0.000 2.374 267 N HA -0.082 4.684 4.740 0.043 0.000 0.241 267 N C -0.383 175.102 175.510 -0.042 0.000 1.262 267 N CA 0.476 53.511 53.050 -0.025 0.000 0.880 267 N CB 0.368 38.855 38.487 -0.000 0.000 1.105 267 N HN 0.025 nan 8.380 nan 0.000 0.438 268 D N 1.240 121.598 120.400 -0.070 0.000 2.420 268 D HA 0.101 4.767 4.640 0.043 0.000 0.255 268 D C 0.925 177.168 176.300 -0.095 0.000 1.185 268 D CA -0.586 53.374 54.000 -0.066 0.000 0.904 268 D CB 0.574 41.339 40.800 -0.058 0.000 1.102 268 D HN 0.244 nan 8.370 nan 0.000 0.534 269 V N 2.479 122.343 119.914 -0.084 0.000 2.759 269 V HA -0.095 4.051 4.120 0.043 0.000 0.256 269 V C 1.992 178.023 176.094 -0.106 0.000 1.080 269 V CA 0.884 63.116 62.300 -0.113 0.000 1.101 269 V CB -0.655 31.124 31.823 -0.073 0.000 0.698 269 V HN 0.496 nan 8.190 nan 0.000 0.477 270 L N 0.550 121.731 121.223 -0.070 0.000 2.072 270 L HA 0.032 4.398 4.340 0.043 0.000 0.205 270 L C 2.987 179.816 176.870 -0.068 0.000 1.079 270 L CA 1.612 56.418 54.840 -0.057 0.000 0.752 270 L CB -0.804 41.239 42.059 -0.027 0.000 0.906 270 L HN 0.444 nan 8.230 nan 0.000 0.436 271 A N -0.679 122.101 122.820 -0.066 0.000 1.970 271 A HA -0.120 4.226 4.320 0.043 0.000 0.216 271 A C 2.301 179.846 177.584 -0.064 0.000 1.170 271 A CA 0.928 52.934 52.037 -0.053 0.000 0.645 271 A CB -0.279 18.691 19.000 -0.050 0.000 0.816 271 A HN 0.259 nan 8.150 nan 0.000 0.447 272 M N -0.620 118.908 119.600 -0.119 0.000 2.086 272 M HA -0.135 4.370 4.480 0.043 0.000 0.261 272 M C 2.254 178.474 176.300 -0.134 0.000 1.067 272 M CA 2.019 57.224 55.300 -0.158 0.000 1.116 272 M CB -0.650 31.765 32.600 -0.308 0.000 1.348 272 M HN 0.465 nan 8.290 nan 0.000 0.407 273 T N -0.144 114.308 114.554 -0.170 0.000 2.684 273 T HA -0.226 4.150 4.350 0.043 0.000 0.267 273 T C 1.547 176.104 174.700 -0.238 0.000 1.036 273 T CA 1.869 63.845 62.100 -0.206 0.000 1.148 273 T CB -0.334 68.414 68.868 -0.200 0.000 0.863 273 T HN 0.481 nan 8.240 nan 0.000 0.436 274 E N -0.042 120.033 120.200 -0.208 0.000 2.007 274 E HA -0.210 4.166 4.350 0.043 0.000 0.194 274 E C 1.995 178.434 176.600 -0.269 0.000 0.999 274 E CA 1.191 57.405 56.400 -0.311 0.000 0.811 274 E CB -0.426 29.179 29.700 -0.159 0.000 0.762 274 E HN 0.521 nan 8.360 nan 0.000 0.450 275 Y N 0.759 120.942 120.300 -0.194 0.000 2.038 275 Y HA -0.400 4.176 4.550 0.043 0.000 0.266 275 Y C 2.042 177.863 175.900 -0.131 0.000 1.220 275 Y CA 2.688 60.709 58.100 -0.132 0.000 1.107 275 Y CB -0.849 37.548 38.460 -0.105 0.000 0.932 275 Y HN 0.203 nan 8.280 nan 0.000 0.500 276 A N -0.578 122.130 122.820 -0.187 0.000 2.066 276 A HA -0.029 4.317 4.320 0.043 0.000 0.218 276 A C 2.250 179.705 177.584 -0.215 0.000 1.157 276 A CA 1.275 53.189 52.037 -0.205 0.000 0.670 276 A CB -0.884 18.081 19.000 -0.058 0.000 0.804 276 A HN 0.587 nan 8.150 nan 0.000 0.453 277 L N -1.075 119.965 121.223 -0.304 0.000 2.156 277 L HA -0.101 4.265 4.340 0.043 0.000 0.208 277 L C 2.512 179.293 176.870 -0.147 0.000 1.095 277 L CA 1.437 56.109 54.840 -0.280 0.000 0.770 277 L CB -0.290 41.411 42.059 -0.596 0.000 0.914 277 L HN 0.357 nan 8.230 nan 0.000 0.439 278 K N 0.181 120.448 120.400 -0.222 0.000 2.155 278 K HA -0.070 4.276 4.320 0.043 0.000 0.203 278 K C 1.844 178.410 176.600 -0.056 0.000 1.052 278 K CA 0.876 57.148 56.287 -0.025 0.000 0.948 278 K CB 0.197 32.651 32.500 -0.076 0.000 0.728 278 K HN 0.213 nan 8.250 nan 0.000 0.448 279 R N 0.285 120.687 120.500 -0.163 0.000 2.320 279 R HA 0.040 4.406 4.340 0.043 0.000 0.211 279 R C 0.142 176.431 176.300 -0.018 0.000 0.931 279 R CA 0.164 56.192 56.100 -0.121 0.000 1.071 279 R CB -0.292 29.875 30.300 -0.221 0.000 1.025 279 R HN 0.212 nan 8.270 nan 0.000 0.495 280 N N 1.230 119.943 118.700 0.023 0.000 2.727 280 N HA -0.180 4.586 4.740 0.043 0.000 0.249 280 N C 0.127 175.699 175.510 0.103 0.000 1.048 280 N CA 0.392 53.493 53.050 0.085 0.000 0.714 280 N CB -0.257 38.278 38.487 0.081 0.000 0.959 280 N HN 0.140 nan 8.380 nan 0.000 0.544 281 R N -0.283 120.264 120.500 0.078 0.000 2.397 281 R HA 0.294 4.660 4.340 0.043 0.000 0.241 281 R C 0.095 176.480 176.300 0.142 0.000 0.914 281 R CA 0.000 56.166 56.100 0.109 0.000 1.071 281 R CB 0.321 30.671 30.300 0.084 0.000 1.116 281 R HN 0.417 nan 8.270 nan 0.000 0.524 282 I N 1.615 122.287 120.570 0.171 0.000 2.291 282 I HA 0.150 4.345 4.170 0.043 0.000 0.290 282 I C 0.254 176.675 176.117 0.508 0.000 1.050 282 I CA 0.043 61.461 61.300 0.196 0.000 1.245 282 I CB 0.666 38.583 38.000 -0.139 0.000 1.405 282 I HN -0.032 nan 8.210 nan 0.000 0.478 283 N N 7.374 126.305 118.700 0.387 0.000 2.321 283 N HA 0.352 5.117 4.740 0.043 0.000 0.242 283 N C -0.813 175.024 175.510 0.545 0.000 1.141 283 N CA -0.176 53.106 53.050 0.387 0.000 0.864 283 N CB 0.576 39.203 38.487 0.233 0.000 1.100 283 N HN 0.507 nan 8.380 nan 0.000 0.510 284 F N 0.693 120.953 119.950 0.518 0.000 2.628 284 F HA -0.008 4.544 4.527 0.041 0.000 0.304 284 F C -2.085 173.828 175.800 0.189 0.000 1.006 284 F CA -0.990 57.247 58.000 0.395 0.000 0.941 284 F CB 0.476 39.617 39.000 0.235 0.000 1.306 284 F HN -0.191 nan 8.300 nan 0.000 0.524 285 M N 6.553 126.038 119.600 -0.192 0.000 2.125 285 M HA 0.348 4.854 4.480 0.043 0.000 0.321 285 M C -0.655 175.316 176.300 -0.549 0.000 0.983 285 M CA -0.145 54.885 55.300 -0.450 0.000 0.934 285 M CB 1.228 33.548 32.600 -0.466 0.000 1.542 285 M HN 0.581 nan 8.290 nan 0.000 0.424 286 H N 0.925 119.592 119.070 -0.672 0.000 2.525 286 H HA 0.303 4.885 4.556 0.044 0.000 0.339 286 H C -0.145 174.951 175.328 -0.388 0.000 1.109 286 H CA -0.006 55.739 56.048 -0.505 0.000 1.352 286 H CB 1.493 30.999 29.762 -0.428 0.000 1.461 286 H HN 0.462 nan 8.280 nan 0.000 0.533 287 T N 3.862 118.255 114.554 -0.269 0.000 3.209 287 T HA 0.212 4.588 4.350 0.043 0.000 0.366 287 T C -0.619 174.071 174.700 -0.017 0.000 1.293 287 T CA -0.576 61.357 62.100 -0.279 0.000 1.417 287 T CB -0.225 68.239 68.868 -0.674 0.000 1.013 287 T HN 0.568 nan 8.240 nan 0.000 0.572 288 R N 2.674 123.163 120.500 -0.017 0.000 2.740 288 R HA 0.654 5.020 4.340 0.043 0.000 0.282 288 R C -1.136 175.123 176.300 -0.067 0.000 0.969 288 R CA -0.772 55.276 56.100 -0.087 0.000 0.918 288 R CB 0.999 31.171 30.300 -0.213 0.000 1.175 288 R HN 0.316 nan 8.270 nan 0.000 0.464 289 N N 2.391 121.012 118.700 -0.131 0.000 2.372 289 N HA 0.329 5.094 4.740 0.043 0.000 0.285 289 N C -1.294 174.180 175.510 -0.060 0.000 1.008 289 N CA -0.467 52.549 53.050 -0.057 0.000 0.880 289 N CB 1.864 40.348 38.487 -0.004 0.000 1.239 289 N HN 0.398 nan 8.380 nan 0.000 0.484 290 V N -0.008 119.885 119.914 -0.035 0.000 3.019 290 V HA 0.778 4.923 4.120 0.043 0.000 0.317 290 V C 0.174 176.291 176.094 0.039 0.000 1.094 290 V CA -0.616 61.687 62.300 0.004 0.000 1.000 290 V CB 1.513 33.304 31.823 -0.053 0.000 1.060 290 V HN 0.534 nan 8.190 nan 0.000 0.443 291 T N 1.026 115.641 114.554 0.101 0.000 2.908 291 T HA 0.915 5.290 4.350 0.043 0.000 0.290 291 T C -0.235 174.505 174.700 0.066 0.000 1.034 291 T CA 0.404 62.580 62.100 0.126 0.000 1.010 291 T CB 1.478 70.476 68.868 0.217 0.000 1.068 291 T HN 1.747 nan 8.240 nan 0.000 0.481 292 A N 1.419 124.208 122.820 -0.053 0.000 2.765 292 A HA 1.056 5.402 4.320 0.043 0.000 0.305 292 A C 0.102 177.323 177.584 -0.605 0.000 1.229 292 A CA -0.078 51.693 52.037 -0.443 0.000 0.653 292 A CB 0.903 19.769 19.000 -0.223 0.000 1.375 292 A HN 1.741 nan 8.150 nan 0.000 0.540 293 G N -3.448 104.965 108.800 -0.646 0.000 2.356 293 G HA2 0.576 4.562 3.960 0.043 0.000 0.288 293 G HA3 0.576 4.562 3.960 0.043 0.000 0.288 293 G C 0.627 175.322 174.900 -0.341 0.000 1.302 293 G CA 0.617 45.463 45.100 -0.424 0.000 0.887 293 G HN 1.921 nan 8.290 nan 0.000 0.521 294 A N -0.304 122.440 122.820 -0.126 0.000 1.972 294 A HA 0.069 4.415 4.320 0.043 0.000 0.219 294 A C 2.053 179.610 177.584 -0.045 0.000 1.169 294 A CA 2.371 54.366 52.037 -0.070 0.000 0.635 294 A CB -1.011 17.992 19.000 0.004 0.000 0.810 294 A HN 1.396 nan 8.150 nan 0.000 0.446 295 W N -0.925 120.363 121.300 -0.020 0.000 2.392 295 W HA 0.268 4.954 4.660 0.042 0.000 0.279 295 W C 0.647 177.124 176.519 -0.071 0.000 1.225 295 W CA 0.922 58.236 57.345 -0.051 0.000 1.233 295 W CB -1.283 28.148 29.460 -0.048 0.000 1.122 295 W HN 0.677 nan 8.180 nan 0.000 0.561 296 G N 1.288 109.885 108.800 -0.339 0.000 2.280 296 G HA2 0.172 4.158 3.960 0.043 0.000 0.277 296 G HA3 0.172 4.158 3.960 0.043 0.000 0.277 296 G C -1.413 173.088 174.900 -0.666 0.000 1.288 296 G CA -0.550 44.405 45.100 -0.242 0.000 1.075 296 G HN 0.682 nan 8.290 nan 0.000 0.480 297 F N -0.842 118.902 119.950 -0.342 0.000 2.578 297 F HA 0.897 5.449 4.527 0.042 0.000 0.311 297 F C -0.666 175.152 175.800 0.029 0.000 1.094 297 F CA -1.041 56.753 58.000 -0.343 0.000 0.923 297 F CB 2.263 41.171 39.000 -0.153 0.000 1.230 297 F HN 0.733 nan 8.300 nan 0.000 0.450 298 Q N 2.284 122.280 119.800 0.326 0.000 2.353 298 Q HA 0.399 4.765 4.340 0.043 0.000 0.268 298 Q C -1.326 174.826 176.000 0.253 0.000 1.045 298 Q CA -0.577 55.403 55.803 0.295 0.000 0.811 298 Q CB 2.169 31.102 28.738 0.326 0.000 1.305 298 Q HN 0.814 nan 8.270 nan 0.000 0.447 299 E N 1.466 121.779 120.200 0.188 0.000 2.373 299 E HA 0.333 4.708 4.350 0.043 0.000 0.263 299 E C -0.329 176.304 176.600 0.055 0.000 1.073 299 E CA 0.113 56.576 56.400 0.104 0.000 0.894 299 E CB 1.313 31.060 29.700 0.079 0.000 1.008 299 E HN 0.791 nan 8.360 nan 0.000 0.420 300 T N -2.262 112.290 114.554 -0.003 0.000 2.618 300 T HA 0.650 5.026 4.350 0.043 0.000 0.286 300 T C -0.358 174.303 174.700 -0.066 0.000 1.027 300 T CA -0.811 61.283 62.100 -0.010 0.000 1.063 300 T CB 0.660 69.536 68.868 0.014 0.000 1.440 300 T HN 0.472 nan 8.240 nan 0.000 0.505 301 A N 0.014 122.807 122.820 -0.045 0.000 2.425 301 A HA 0.377 4.723 4.320 0.043 0.000 0.242 301 A C 0.888 178.433 177.584 -0.064 0.000 1.077 301 A CA 0.012 52.027 52.037 -0.037 0.000 0.781 301 A CB -0.637 18.329 19.000 -0.057 0.000 1.020 301 A HN 1.005 nan 8.150 nan 0.000 0.494 302 H N 0.523 119.548 119.070 -0.075 0.000 2.456 302 H HA -0.032 4.550 4.556 0.042 0.000 0.296 302 H C 0.841 176.035 175.328 -0.224 0.000 1.079 302 H CA 1.151 57.196 56.048 -0.005 0.000 1.322 302 H CB -0.352 29.509 29.762 0.164 0.000 1.388 302 H HN 0.517 nan 8.280 nan 0.000 0.538 303 L N 0.668 121.595 121.223 -0.493 0.000 2.514 303 L HA -0.053 4.313 4.340 0.043 0.000 0.280 303 L C 1.211 177.968 176.870 -0.187 0.000 1.223 303 L CA 0.346 54.723 54.840 -0.773 0.000 0.864 303 L CB 0.704 42.387 42.059 -0.626 0.000 1.118 303 L HN 0.017 nan 8.230 nan 0.000 0.494 304 S N 1.960 117.661 115.700 0.002 0.000 2.370 304 S HA -0.207 4.289 4.470 0.043 0.000 0.226 304 S C 1.426 176.045 174.600 0.031 0.000 1.033 304 S CA 1.698 59.942 58.200 0.074 0.000 1.011 304 S CB -0.290 62.986 63.200 0.127 0.000 0.852 304 S HN 0.848 nan 8.310 nan 0.000 0.457 305 Q N -0.112 119.695 119.800 0.011 0.000 2.482 305 Q HA 0.219 4.585 4.340 0.043 0.000 0.209 305 Q C 1.685 177.689 176.000 0.006 0.000 0.961 305 Q CA 0.323 56.135 55.803 0.014 0.000 0.945 305 Q CB -0.051 28.695 28.738 0.013 0.000 1.012 305 Q HN 0.576 nan 8.270 nan 0.000 0.515 306 A N -0.759 122.055 122.820 -0.009 0.000 1.997 306 A HA 0.276 4.622 4.320 0.043 0.000 0.212 306 A C 1.080 178.678 177.584 0.024 0.000 1.178 306 A CA 0.893 52.928 52.037 -0.002 0.000 0.698 306 A CB 0.098 19.080 19.000 -0.030 0.000 0.842 306 A HN 0.425 nan 8.150 nan 0.000 0.458 307 G N -1.332 107.483 108.800 0.025 0.000 3.212 307 G HA2 0.449 4.434 3.960 0.043 0.000 0.188 307 G HA3 0.449 4.434 3.960 0.043 0.000 0.188 307 G C -0.876 174.052 174.900 0.045 0.000 1.254 307 G CA 0.066 45.192 45.100 0.043 0.000 0.957 307 G HN -0.029 nan 8.290 nan 0.000 0.596 308 D N -0.321 120.103 120.400 0.040 0.000 2.402 308 D HA 0.276 4.942 4.640 0.043 0.000 0.216 308 D C 0.049 176.363 176.300 0.023 0.000 1.128 308 D CA 0.176 54.196 54.000 0.033 0.000 0.833 308 D CB 0.489 41.304 40.800 0.024 0.000 0.971 308 D HN 0.121 nan 8.370 nan 0.000 0.503 309 I N 0.684 121.273 120.570 0.032 0.000 2.418 309 I HA 0.125 4.321 4.170 0.043 0.000 0.287 309 I C -0.259 175.894 176.117 0.062 0.000 1.008 309 I CA -0.909 60.413 61.300 0.037 0.000 1.104 309 I CB 2.038 40.061 38.000 0.039 0.000 1.264 309 I HN -0.310 nan 8.210 nan 0.000 0.438 310 D N 7.265 127.697 120.400 0.054 0.000 2.470 310 D HA 0.106 4.771 4.640 0.043 0.000 0.226 310 D C 1.089 177.441 176.300 0.086 0.000 1.196 310 D CA -0.143 53.897 54.000 0.068 0.000 0.979 310 D CB 0.734 41.564 40.800 0.050 0.000 1.059 310 D HN 0.328 nan 8.370 nan 0.000 0.515 311 M N 2.272 121.952 119.600 0.133 0.000 2.108 311 M HA -0.183 4.323 4.480 0.043 0.000 0.261 311 M C 1.801 178.167 176.300 0.110 0.000 1.066 311 M CA 1.088 56.490 55.300 0.171 0.000 1.107 311 M CB -1.129 31.630 32.600 0.264 0.000 1.356 311 M HN 0.562 nan 8.290 nan 0.000 0.406 312 N N 0.173 118.920 118.700 0.078 0.000 2.061 312 N HA -0.170 4.596 4.740 0.043 0.000 0.193 312 N C 1.659 177.203 175.510 0.057 0.000 1.030 312 N CA 1.753 54.832 53.050 0.049 0.000 0.856 312 N CB 0.109 38.626 38.487 0.049 0.000 1.023 312 N HN 0.319 nan 8.380 nan 0.000 0.424 313 A N 0.866 123.719 122.820 0.054 0.000 1.903 313 A HA -0.149 4.196 4.320 0.043 0.000 0.219 313 A C 2.411 180.018 177.584 0.039 0.000 1.191 313 A CA 1.910 53.974 52.037 0.045 0.000 0.638 313 A CB -0.941 18.080 19.000 0.035 0.000 0.823 313 A HN 0.256 nan 8.150 nan 0.000 0.451 314 V N -0.554 119.383 119.914 0.038 0.000 2.427 314 V HA -0.183 3.963 4.120 0.043 0.000 0.248 314 V C 2.514 178.616 176.094 0.013 0.000 1.051 314 V CA 1.807 64.110 62.300 0.006 0.000 1.048 314 V CB -0.650 31.174 31.823 0.002 0.000 0.666 314 V HN 0.516 nan 8.190 nan 0.000 0.456 315 V N -0.230 119.727 119.914 0.071 0.000 2.591 315 V HA -0.143 4.003 4.120 0.043 0.000 0.249 315 V C 2.391 178.560 176.094 0.125 0.000 1.053 315 V CA 2.243 64.610 62.300 0.110 0.000 1.068 315 V CB -0.298 31.627 31.823 0.169 0.000 0.689 315 V HN 0.552 nan 8.190 nan 0.000 0.462 316 K N -0.192 120.267 120.400 0.097 0.000 2.032 316 K HA -0.169 4.176 4.320 0.043 0.000 0.209 316 K C 2.169 178.841 176.600 0.120 0.000 1.048 316 K CA 2.335 58.681 56.287 0.099 0.000 0.927 316 K CB -0.372 32.173 32.500 0.075 0.000 0.712 316 K HN 0.565 nan 8.250 nan 0.000 0.441 317 L N 1.008 122.290 121.223 0.098 0.000 2.013 317 L HA -0.238 4.128 4.340 0.043 0.000 0.212 317 L C 2.339 179.301 176.870 0.153 0.000 1.073 317 L CA 1.223 56.135 54.840 0.119 0.000 0.753 317 L CB -0.446 41.606 42.059 -0.012 0.000 0.890 317 L HN 0.297 nan 8.230 nan 0.000 0.432 318 L N -1.088 120.187 121.223 0.087 0.000 2.349 318 L HA -0.191 4.175 4.340 0.043 0.000 0.220 318 L C 2.045 179.083 176.870 0.280 0.000 1.130 318 L CA 0.633 55.558 54.840 0.140 0.000 0.791 318 L CB -0.332 41.778 42.059 0.084 0.000 0.918 318 L HN 0.167 nan 8.230 nan 0.000 0.444 319 V N -1.739 118.320 119.914 0.241 0.000 3.048 319 V HA -0.059 4.087 4.120 0.043 0.000 0.241 319 V C 1.640 177.830 176.094 0.160 0.000 1.129 319 V CA 0.689 63.118 62.300 0.214 0.000 1.128 319 V CB 0.298 32.219 31.823 0.163 0.000 0.849 319 V HN 0.201 nan 8.190 nan 0.000 0.475 320 D N -0.015 120.484 120.400 0.165 0.000 2.149 320 D HA -0.172 4.494 4.640 0.043 0.000 0.198 320 D C 1.124 177.432 176.300 0.014 0.000 0.990 320 D CA 1.615 55.669 54.000 0.091 0.000 0.839 320 D CB -0.110 40.773 40.800 0.137 0.000 0.948 320 D HN 0.557 nan 8.370 nan 0.000 0.460 321 Y N 0.762 121.112 120.300 0.082 0.000 2.625 321 Y HA 0.133 4.709 4.550 0.043 0.000 0.285 321 Y C 0.066 176.046 175.900 0.133 0.000 1.168 321 Y CA -0.404 57.753 58.100 0.094 0.000 1.250 321 Y CB -0.104 38.408 38.460 0.087 0.000 1.130 321 Y HN -0.150 nan 8.280 nan 0.000 0.526 322 D N -0.925 119.602 120.400 0.211 0.000 2.733 322 D HA -0.291 4.374 4.640 0.043 0.000 0.232 322 D C -0.200 176.205 176.300 0.176 0.000 1.161 322 D CA 0.659 54.755 54.000 0.160 0.000 0.653 322 D CB -0.978 39.870 40.800 0.079 0.000 1.052 322 D HN 0.520 nan 8.370 nan 0.000 0.424 323 W N 1.423 122.767 121.300 0.074 0.000 2.322 323 W HA 0.123 4.808 4.660 0.041 0.000 0.328 323 W C 0.408 176.902 176.519 -0.042 0.000 1.395 323 W CA 0.180 57.541 57.345 0.028 0.000 1.267 323 W CB 0.470 29.947 29.460 0.029 0.000 1.259 323 W HN -0.021 nan 8.180 nan 0.000 0.560 324 Q N 5.752 124.975 119.800 -0.961 0.000 2.508 324 Q HA 0.509 4.874 4.340 0.043 0.000 0.247 324 Q C 0.256 175.453 176.000 -1.339 0.000 1.047 324 Q CA -0.250 54.968 55.803 -0.976 0.000 0.783 324 Q CB 1.293 29.674 28.738 -0.595 0.000 1.172 324 Q HN 0.718 nan 8.270 nan 0.000 0.515 325 G N 0.626 108.417 108.800 -1.681 0.000 2.827 325 G HA2 0.549 4.534 3.960 0.043 0.000 0.202 325 G HA3 0.549 4.534 3.960 0.043 0.000 0.202 325 G C -1.228 173.356 174.900 -0.527 0.000 1.185 325 G CA -0.311 44.145 45.100 -1.074 0.000 0.920 325 G HN 0.423 nan 8.290 nan 0.000 0.550 326 S N -1.090 114.649 115.700 0.064 0.000 2.549 326 S HA 0.734 5.230 4.470 0.043 0.000 0.280 326 S C -1.122 173.828 174.600 0.582 0.000 1.109 326 S CA -0.616 57.752 58.200 0.280 0.000 0.905 326 S CB 1.773 65.075 63.200 0.169 0.000 1.081 326 S HN 1.343 nan 8.310 nan 0.000 0.477 327 L N 3.121 124.543 121.223 0.331 0.000 2.329 327 L HA 0.777 5.143 4.340 0.043 0.000 0.279 327 L C -0.453 176.456 176.870 0.065 0.000 1.014 327 L CA -0.835 54.079 54.840 0.124 0.000 0.814 327 L CB 1.474 43.511 42.059 -0.036 0.000 1.257 327 L HN 1.011 nan 8.230 nan 0.000 0.424 328 R N 5.495 125.940 120.500 -0.091 0.000 2.409 328 R HA 0.572 4.937 4.340 0.043 0.000 0.313 328 R C -2.850 173.311 176.300 -0.232 0.000 0.953 328 R CA -1.881 54.164 56.100 -0.092 0.000 0.849 328 R CB 1.353 31.621 30.300 -0.052 0.000 1.171 328 R HN 0.357 nan 8.270 nan 0.000 0.458 329 P HA -0.032 nan 4.420 nan 0.000 0.263 329 P C -0.887 176.425 177.300 0.021 0.000 1.195 329 P CA 0.267 63.334 63.100 -0.055 0.000 0.762 329 P CB 0.850 32.607 31.700 0.095 0.000 0.799 330 D N 1.635 122.064 120.400 0.049 0.000 2.507 330 D HA 0.133 4.798 4.640 0.043 0.000 0.280 330 D C 0.169 176.530 176.300 0.102 0.000 1.219 330 D CA -0.624 53.357 54.000 -0.031 0.000 1.085 330 D CB 0.072 40.764 40.800 -0.179 0.000 1.134 330 D HN 0.418 nan 8.370 nan 0.000 0.583 331 H N -1.718 117.228 119.070 -0.206 0.000 3.113 331 H HA 0.076 4.659 4.556 0.044 0.000 0.307 331 H C 0.305 175.572 175.328 -0.102 0.000 0.998 331 H CA 0.472 56.331 56.048 -0.314 0.000 1.255 331 H CB 0.157 29.722 29.762 -0.329 0.000 1.097 331 H HN 0.364 nan 8.280 nan 0.000 0.632 332 G N 1.024 109.821 108.800 -0.004 0.000 2.672 332 G HA2 0.481 4.467 3.960 0.043 0.000 0.292 332 G HA3 0.481 4.467 3.960 0.043 0.000 0.292 332 G C -0.768 174.116 174.900 -0.027 0.000 1.375 332 G CA -1.126 44.017 45.100 0.072 0.000 0.890 332 G HN 0.486 nan 8.290 nan 0.000 0.476 333 R N -0.513 119.977 120.500 -0.016 0.000 2.840 333 R HA 0.385 4.750 4.340 0.043 0.000 0.282 333 R C 0.558 176.834 176.300 -0.042 0.000 1.133 333 R CA -0.293 55.784 56.100 -0.038 0.000 1.208 333 R CB 0.519 30.793 30.300 -0.043 0.000 1.160 333 R HN 0.420 nan 8.270 nan 0.000 0.576 334 R N 1.909 122.400 120.500 -0.016 0.000 2.346 334 R HA 0.251 4.617 4.340 0.043 0.000 0.309 334 R C -0.862 175.444 176.300 0.010 0.000 1.119 334 R CA -0.208 55.904 56.100 0.020 0.000 1.112 334 R CB -0.253 30.095 30.300 0.080 0.000 1.132 334 R HN 0.557 nan 8.270 nan 0.000 0.538 335 I N -0.413 120.137 120.570 -0.033 0.000 2.603 335 I HA 0.510 4.706 4.170 0.043 0.000 0.300 335 I C -0.644 175.535 176.117 0.103 0.000 1.017 335 I CA -0.785 60.419 61.300 -0.159 0.000 1.098 335 I CB 1.189 38.794 38.000 -0.658 0.000 1.279 335 I HN 0.518 nan 8.210 nan 0.000 0.437 336 W N 4.941 126.282 121.300 0.069 0.000 4.926 336 W HA -0.127 4.555 4.660 0.037 0.000 0.401 336 W C 1.277 177.838 176.519 0.070 0.000 1.555 336 W CA 0.745 58.094 57.345 0.006 0.000 0.877 336 W CB -2.144 27.220 29.460 -0.159 0.000 2.743 336 W HN 1.387 nan 8.180 nan 0.000 1.328 337 G N -0.441 108.515 108.800 0.259 0.000 2.186 337 G HA2 -0.383 3.602 3.960 0.043 0.000 0.266 337 G HA3 -0.383 3.602 3.960 0.043 0.000 0.266 337 G C 0.432 175.466 174.900 0.224 0.000 0.982 337 G CA 0.508 45.723 45.100 0.192 0.000 0.670 337 G HN 0.534 nan 8.290 nan 0.000 0.533 338 D N 0.417 121.006 120.400 0.315 0.000 2.502 338 D HA 0.106 4.771 4.640 0.043 0.000 0.249 338 D C 1.186 177.570 176.300 0.139 0.000 1.188 338 D CA 0.502 54.671 54.000 0.280 0.000 0.890 338 D CB 0.296 41.250 40.800 0.258 0.000 1.140 338 D HN 0.537 nan 8.370 nan 0.000 0.505 339 Q N 1.743 121.605 119.800 0.105 0.000 2.217 339 Q HA 0.076 4.442 4.340 0.043 0.000 0.226 339 Q C -0.083 175.938 176.000 0.035 0.000 0.875 339 Q CA -0.198 55.644 55.803 0.065 0.000 0.974 339 Q CB 0.479 29.252 28.738 0.060 0.000 1.079 339 Q HN 0.424 nan 8.270 nan 0.000 0.463 340 T N -1.732 112.833 114.554 0.018 0.000 2.738 340 T HA 0.240 4.616 4.350 0.043 0.000 0.294 340 T C 0.068 174.765 174.700 -0.004 0.000 0.914 340 T CA -0.603 61.488 62.100 -0.015 0.000 1.052 340 T CB 0.937 69.777 68.868 -0.047 0.000 0.897 340 T HN -0.003 nan 8.240 nan 0.000 0.522 341 K N 3.564 123.961 120.400 -0.005 0.000 2.222 341 K HA 0.307 4.653 4.320 0.043 0.000 0.243 341 K C -0.690 175.890 176.600 -0.033 0.000 1.160 341 K CA -0.231 56.063 56.287 0.012 0.000 1.090 341 K CB -0.198 32.322 32.500 0.034 0.000 1.694 341 K HN 0.739 nan 8.250 nan 0.000 0.361 342 T N 2.091 116.608 114.554 -0.061 0.000 2.993 342 T HA 0.193 4.569 4.350 0.043 0.000 0.312 342 T C -2.114 172.523 174.700 -0.105 0.000 1.115 342 T CA -1.237 60.813 62.100 -0.083 0.000 1.027 342 T CB 1.675 70.432 68.868 -0.186 0.000 1.116 342 T HN 0.153 nan 8.240 nan 0.000 0.464 343 P HA -0.225 nan 4.420 nan 0.000 0.240 343 P C 0.926 177.940 177.300 -0.476 0.000 0.765 343 P CA 1.849 64.698 63.100 -0.418 0.000 1.100 343 P CB -0.123 31.189 31.700 -0.647 0.000 0.753 344 G N -3.331 105.022 108.800 -0.745 0.000 4.864 344 G HA2 0.293 4.278 3.960 0.043 0.000 0.280 344 G HA3 0.293 4.278 3.960 0.043 0.000 0.280 344 G C -0.181 174.279 174.900 -0.733 0.000 1.239 344 G CA -0.089 44.617 45.100 -0.656 0.000 0.951 344 G HN 0.242 nan 8.290 nan 0.000 0.583 345 Y N 0.469 120.631 120.300 -0.230 0.000 2.458 345 Y HA 0.279 4.854 4.550 0.042 0.000 0.256 345 Y C 2.190 178.019 175.900 -0.119 0.000 1.159 345 Y CA -0.460 57.533 58.100 -0.178 0.000 1.261 345 Y CB 0.764 39.059 38.460 -0.275 0.000 1.119 345 Y HN 0.357 nan 8.280 nan 0.000 0.524 346 G N 0.597 109.372 108.800 -0.042 0.000 2.818 346 G HA2 -0.094 3.892 3.960 0.043 0.000 0.235 346 G HA3 -0.094 3.892 3.960 0.043 0.000 0.235 346 G C 0.891 175.767 174.900 -0.039 0.000 1.244 346 G CA -0.001 45.055 45.100 -0.074 0.000 0.853 346 G HN 0.383 nan 8.290 nan 0.000 0.596 347 L N 0.662 121.768 121.223 -0.194 0.000 2.162 347 L HA 0.158 4.524 4.340 0.043 0.000 0.205 347 L C 2.314 179.221 176.870 0.061 0.000 1.086 347 L CA 1.260 56.077 54.840 -0.038 0.000 0.778 347 L CB -0.542 41.420 42.059 -0.161 0.000 0.928 347 L HN 0.604 nan 8.230 nan 0.000 0.446 348 Y N 0.005 120.392 120.300 0.145 0.000 2.084 348 Y HA -0.134 4.444 4.550 0.047 0.000 0.279 348 Y C 2.545 178.420 175.900 -0.041 0.000 1.119 348 Y CA 1.490 59.634 58.100 0.074 0.000 1.101 348 Y CB -1.367 37.090 38.460 -0.004 0.000 0.989 348 Y HN 0.263 nan 8.280 nan 0.000 0.484 349 D N -0.224 120.193 120.400 0.028 0.000 2.264 349 D HA -0.115 4.550 4.640 0.043 0.000 0.208 349 D C 2.215 178.586 176.300 0.119 0.000 0.966 349 D CA 0.665 54.667 54.000 0.004 0.000 0.864 349 D CB -0.026 40.753 40.800 -0.034 0.000 0.933 349 D HN 0.118 nan 8.370 nan 0.000 0.499 350 R N -0.280 120.317 120.500 0.162 0.000 2.073 350 R HA -0.038 4.328 4.340 0.043 0.000 0.234 350 R C 2.166 178.646 176.300 0.300 0.000 1.134 350 R CA 1.503 57.732 56.100 0.215 0.000 0.952 350 R CB -0.295 30.123 30.300 0.198 0.000 0.850 350 R HN 0.176 nan 8.270 nan 0.000 0.433 351 A N 0.346 123.378 122.820 0.352 0.000 2.015 351 A HA -0.082 4.264 4.320 0.043 0.000 0.219 351 A C 2.087 179.765 177.584 0.157 0.000 1.163 351 A CA 0.952 53.139 52.037 0.249 0.000 0.646 351 A CB -0.405 18.694 19.000 0.165 0.000 0.806 351 A HN 0.321 nan 8.150 nan 0.000 0.448 352 L N -0.947 120.343 121.223 0.111 0.000 2.156 352 L HA -0.083 4.282 4.340 0.043 0.000 0.208 352 L C 2.754 179.636 176.870 0.019 0.000 1.095 352 L CA 0.847 55.730 54.840 0.072 0.000 0.770 352 L CB -0.663 41.415 42.059 0.032 0.000 0.914 352 L HN 0.508 nan 8.230 nan 0.000 0.439 353 G N -0.258 108.448 108.800 -0.156 0.000 2.453 353 G HA2 -0.279 3.707 3.960 0.043 0.000 0.215 353 G HA3 -0.279 3.707 3.960 0.043 0.000 0.215 353 G C 1.783 176.830 174.900 0.244 0.000 1.201 353 G CA 0.851 45.773 45.100 -0.297 0.000 0.784 353 G HN 0.443 nan 8.290 nan 0.000 0.545 354 A N 0.780 123.747 122.820 0.245 0.000 1.894 354 A HA -0.236 4.110 4.320 0.043 0.000 0.220 354 A C 2.645 180.419 177.584 0.316 0.000 1.237 354 A CA 3.669 55.905 52.037 0.332 0.000 0.660 354 A CB -1.464 17.695 19.000 0.265 0.000 0.835 354 A HN 0.624 nan 8.150 nan 0.000 0.461 355 T N -3.807 110.875 114.554 0.213 0.000 2.904 355 T HA -0.159 4.216 4.350 0.043 0.000 0.267 355 T C 1.798 176.603 174.700 0.174 0.000 1.059 355 T CA 1.431 63.633 62.100 0.169 0.000 1.137 355 T CB -0.527 68.409 68.868 0.114 0.000 0.879 355 T HN 0.483 nan 8.240 nan 0.000 0.467 356 Y N 2.004 122.301 120.300 -0.004 0.000 2.128 356 Y HA -0.108 4.467 4.550 0.042 0.000 0.284 356 Y C 1.744 177.550 175.900 -0.156 0.000 1.154 356 Y CA 0.679 58.697 58.100 -0.136 0.000 1.149 356 Y CB -0.861 37.414 38.460 -0.308 0.000 0.976 356 Y HN 0.206 nan 8.280 nan 0.000 0.505 357 F N 0.416 120.361 119.950 -0.009 0.000 2.186 357 F HA -0.156 4.396 4.527 0.042 0.000 0.299 357 F C 2.109 177.967 175.800 0.098 0.000 1.090 357 F CA 1.783 59.744 58.000 -0.065 0.000 1.307 357 F CB -1.085 37.928 39.000 0.022 0.000 1.019 357 F HN 0.105 nan 8.300 nan 0.000 0.489 358 N N 0.040 118.955 118.700 0.359 0.000 2.036 358 N HA -0.181 4.584 4.740 0.043 0.000 0.195 358 N C 2.244 177.980 175.510 0.378 0.000 1.037 358 N CA 1.370 54.714 53.050 0.490 0.000 0.855 358 N CB -0.797 37.892 38.487 0.336 0.000 1.033 358 N HN 0.322 nan 8.380 nan 0.000 0.423 359 G N 1.125 110.029 108.800 0.174 0.000 2.491 359 G HA2 -0.237 3.748 3.960 0.043 0.000 0.218 359 G HA3 -0.237 3.748 3.960 0.043 0.000 0.218 359 G C 1.457 176.408 174.900 0.083 0.000 1.180 359 G CA 0.674 45.836 45.100 0.104 0.000 0.774 359 G HN 0.159 nan 8.290 nan 0.000 0.562 360 L N -1.073 120.139 121.223 -0.019 0.000 2.093 360 L HA -0.022 4.344 4.340 0.043 0.000 0.208 360 L C 2.502 179.444 176.870 0.120 0.000 1.085 360 L CA 1.183 56.002 54.840 -0.035 0.000 0.755 360 L CB -0.427 41.496 42.059 -0.227 0.000 0.904 360 L HN 0.415 nan 8.230 nan 0.000 0.435 361 Y N 0.964 121.307 120.300 0.072 0.000 2.044 361 Y HA -0.381 4.195 4.550 0.044 0.000 0.264 361 Y C 2.726 178.682 175.900 0.093 0.000 1.111 361 Y CA 2.051 60.205 58.100 0.090 0.000 1.088 361 Y CB -0.259 38.260 38.460 0.098 0.000 0.981 361 Y HN 0.137 nan 8.280 nan 0.000 0.478 362 E N 0.369 120.560 120.200 -0.016 0.000 2.119 362 E HA -0.425 3.951 4.350 0.043 0.000 0.221 362 E C 2.165 178.745 176.600 -0.035 0.000 1.062 362 E CA 1.925 58.306 56.400 -0.031 0.000 0.894 362 E CB -0.607 29.254 29.700 0.268 0.000 0.785 362 E HN 0.633 nan 8.360 nan 0.000 0.472 363 A N 0.947 123.786 122.820 0.032 0.000 1.948 363 A HA -0.255 4.091 4.320 0.043 0.000 0.220 363 A C 1.999 179.582 177.584 -0.003 0.000 1.177 363 A CA 1.901 53.950 52.037 0.020 0.000 0.636 363 A CB -0.641 18.378 19.000 0.032 0.000 0.815 363 A HN 0.367 nan 8.150 nan 0.000 0.449 364 N N -0.753 117.942 118.700 -0.008 0.000 2.173 364 N HA -0.069 4.697 4.740 0.043 0.000 0.184 364 N C 1.838 177.319 175.510 -0.048 0.000 1.025 364 N CA 1.385 54.431 53.050 -0.007 0.000 0.852 364 N CB -0.333 38.174 38.487 0.033 0.000 0.998 364 N HN 0.376 nan 8.380 nan 0.000 0.427 365 M N 1.081 120.597 119.600 -0.139 0.000 2.116 365 M HA -0.200 4.305 4.480 0.043 0.000 0.255 365 M C 1.615 177.860 176.300 -0.091 0.000 1.075 365 M CA 1.511 56.703 55.300 -0.180 0.000 1.087 365 M CB -0.692 31.680 32.600 -0.380 0.000 1.340 365 M HN 0.127 nan 8.290 nan 0.000 0.402 366 R N -0.657 119.804 120.500 -0.065 0.000 2.236 366 R HA 0.125 4.491 4.340 0.043 0.000 0.208 366 R C 2.028 178.317 176.300 -0.018 0.000 1.036 366 R CA 1.110 57.190 56.100 -0.032 0.000 1.001 366 R CB -0.648 29.641 30.300 -0.017 0.000 0.896 366 R HN 0.416 nan 8.270 nan 0.000 0.464 367 A N 0.857 123.669 122.820 -0.015 0.000 2.072 367 A HA 0.213 4.559 4.320 0.043 0.000 0.216 367 A C 2.216 179.798 177.584 -0.004 0.000 1.156 367 A CA 0.996 53.030 52.037 -0.004 0.000 0.701 367 A CB -0.110 18.892 19.000 0.004 0.000 0.816 367 A HN 0.259 nan 8.150 nan 0.000 0.458 368 A N -1.043 121.771 122.820 -0.009 0.000 1.840 368 A HA 0.370 4.716 4.320 0.043 0.000 0.214 368 A C 1.818 179.397 177.584 -0.009 0.000 1.198 368 A CA 1.909 53.942 52.037 -0.007 0.000 0.608 368 A CB -0.671 18.325 19.000 -0.007 0.000 0.839 368 A HN 1.659 nan 8.150 nan 0.000 0.443 369 G N -1.975 106.816 108.800 -0.014 0.000 2.407 369 G HA2 0.001 3.986 3.960 0.043 0.000 0.210 369 G HA3 0.001 3.986 3.960 0.043 0.000 0.210 369 G C -0.095 174.796 174.900 -0.014 0.000 1.015 369 G CA 0.086 45.180 45.100 -0.011 0.000 0.807 369 G HN 0.468 nan 8.290 nan 0.000 0.539 370 K N 1.057 121.442 120.400 -0.025 0.000 2.208 370 K HA 0.689 5.035 4.320 0.043 0.000 0.247 370 K C 0.095 176.667 176.600 -0.048 0.000 0.953 370 K CA -0.213 56.056 56.287 -0.030 0.000 0.837 370 K CB 1.690 34.170 32.500 -0.032 0.000 1.131 370 K HN 0.200 nan 8.250 nan 0.000 0.431 371 T N 0.397 114.929 114.554 -0.037 0.000 2.749 371 T HA 0.421 4.797 4.350 0.043 0.000 0.287 371 T C -1.890 172.772 174.700 -0.062 0.000 0.970 371 T CA -1.768 60.312 62.100 -0.034 0.000 0.980 371 T CB 1.030 69.895 68.868 -0.006 0.000 0.924 371 T HN 0.303 nan 8.240 nan 0.000 0.456 372 P HA 0.559 nan 4.420 nan 0.000 0.296 372 P C -0.873 176.403 177.300 -0.040 0.000 1.295 372 P CA -0.092 62.892 63.100 -0.192 0.000 0.754 372 P CB 0.331 31.912 31.700 -0.199 0.000 1.311 373 D N -3.622 116.721 120.400 -0.094 0.000 2.842 373 D HA 0.434 5.099 4.640 0.043 0.000 0.248 373 D C -1.336 174.838 176.300 -0.210 0.000 1.140 373 D CA -0.381 53.627 54.000 0.012 0.000 0.728 373 D CB 0.476 41.271 40.800 -0.008 0.000 1.595 373 D HN 0.155 nan 8.370 nan 0.000 0.450 374 F N 0.138 120.152 119.950 0.108 0.000 3.145 374 F HA 0.529 5.081 4.527 0.042 0.000 0.324 374 F C 1.947 177.777 175.800 0.051 0.000 1.467 374 F CA -0.740 57.320 58.000 0.101 0.000 1.048 374 F CB 0.374 39.435 39.000 0.102 0.000 1.698 374 F HN 0.404 nan 8.300 nan 0.000 0.427 375 G N 0.472 109.438 108.800 0.277 0.000 3.061 375 G HA2 0.155 4.141 3.960 0.043 0.000 0.208 375 G HA3 0.155 4.141 3.960 0.043 0.000 0.208 375 G C 0.048 175.009 174.900 0.102 0.000 1.175 375 G CA 0.132 45.313 45.100 0.135 0.000 0.812 375 G HN 0.184 nan 8.290 nan 0.000 0.523 376 I N 0.657 121.308 120.570 0.134 0.000 2.416 376 I HA 0.224 4.420 4.170 0.043 0.000 0.288 376 I C 0.884 177.035 176.117 0.056 0.000 1.051 376 I CA -0.104 61.249 61.300 0.089 0.000 1.375 376 I CB 1.468 39.529 38.000 0.102 0.000 1.407 376 I HN -0.072 nan 8.210 nan 0.000 0.516 377 K N 4.554 124.975 120.400 0.035 0.000 3.248 377 K HA 0.464 4.810 4.320 0.043 0.000 0.255 377 K C -0.153 176.456 176.600 0.016 0.000 1.395 377 K CA -0.200 56.099 56.287 0.021 0.000 1.139 377 K CB -0.175 32.333 32.500 0.013 0.000 2.091 377 K HN 0.459 nan 8.250 nan 0.000 0.408 378 A N 3.020 125.846 122.820 0.011 0.000 2.316 378 A HA 0.236 4.582 4.320 0.043 0.000 0.311 378 A C 0.725 178.313 177.584 0.006 0.000 1.339 378 A CA -0.163 51.878 52.037 0.007 0.000 0.960 378 A CB 0.203 19.205 19.000 0.004 0.000 1.152 378 A HN 0.331 nan 8.150 nan 0.000 0.547 379 K N 0.950 121.353 120.400 0.005 0.000 2.173 379 K HA -0.131 4.215 4.320 0.043 0.000 0.207 379 K C 0.725 177.324 176.600 -0.002 0.000 1.046 379 K CA 1.767 58.055 56.287 0.001 0.000 0.929 379 K CB -0.089 32.412 32.500 0.001 0.000 0.720 379 K HN 0.606 nan 8.250 nan 0.000 0.453 380 T N 0.009 114.562 114.554 -0.001 0.000 2.933 380 T HA 0.333 4.708 4.350 0.043 0.000 0.305 380 T C -0.389 174.310 174.700 -0.002 0.000 1.092 380 T CA -0.799 61.300 62.100 -0.002 0.000 1.008 380 T CB 1.641 70.508 68.868 -0.003 0.000 1.102 380 T HN -0.153 nan 8.240 nan 0.000 0.469 381 V N 0.000 119.912 119.914 -0.003 0.000 2.409 381 V HA 0.000 4.146 4.120 0.043 0.000 0.244 381 V CA 0.000 62.299 62.300 -0.002 0.000 1.235 381 V CB 0.000 31.821 31.823 -0.003 0.000 1.184 381 V HN 0.000 nan 8.190 nan 0.000 0.556