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 1lcy_1_A DATA FIRST_RESID 6 DATA SEQUENCE PPASPRSQYN FIADVVEKTA PAVVYIEILD RHPFLGREVP ISNGSGFVVA DATA SEQUENCE ADGLIVTNAH VVADRRRVRV RLLSGDTYEA VVTAVDPVAD IATLRIQTKE DATA SEQUENCE PLPTLPLGRS ADVRQGEFVV AMGSPFALQN TITSGIVSSA QRPXXXXXXX DATA SEQUENCE XXNVEYIQTD AAIDFGNAGG PLVNLDGEVI GVNTMKVTAG ISFAIPSDRL DATA SEQUENCE REFLHXXXXX XXXXXXXXXX RRYIGVMMLT LSPSILAELQ LREPSFPDVQ DATA SEQUENCE HGVLIHKVIL GSPAHRAGLR PGDVILAIGE QMVQNAEDVY EAVRTQSQLA DATA SEQUENCE VQIRRGRETL TLYVTPEVTE 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 6 P HA 0.000 nan 4.420 nan 0.000 0.216 6 P C 0.000 177.282 177.300 -0.031 0.000 1.155 6 P CA 0.000 63.085 63.100 -0.025 0.000 0.800 6 P CB 0.000 31.677 31.700 -0.038 0.000 0.726 7 P HA 0.330 nan 4.420 nan 0.000 0.259 7 P C 0.034 177.310 177.300 -0.040 0.000 1.155 7 P CA 0.295 63.376 63.100 -0.031 0.000 0.759 7 P CB 0.022 31.703 31.700 -0.031 0.000 0.753 8 A N 3.029 125.834 122.820 -0.025 0.000 2.199 8 A HA 0.346 4.665 4.320 -0.001 0.000 0.300 8 A C 0.700 178.265 177.584 -0.031 0.000 1.308 8 A CA 0.642 52.667 52.037 -0.020 0.000 0.886 8 A CB -0.746 18.252 19.000 -0.003 0.000 1.139 8 A HN 0.892 nan 8.150 nan 0.000 0.513 9 S N -1.759 113.934 115.700 -0.011 0.000 3.576 9 S HA -0.045 4.425 4.470 -0.001 0.000 0.658 9 S C -1.637 172.952 174.600 -0.018 0.000 0.560 9 S CA 0.221 58.416 58.200 -0.008 0.000 1.438 9 S CB -0.861 62.327 63.200 -0.019 0.000 0.937 9 S HN 0.493 nan 8.310 nan 0.000 0.998 10 P HA -0.127 nan 4.420 nan 0.000 0.216 10 P C 1.662 179.014 177.300 0.087 0.000 1.153 10 P CA 1.246 64.436 63.100 0.150 0.000 0.858 10 P CB 0.018 31.874 31.700 0.260 0.000 0.789 11 R N 0.153 120.680 120.500 0.044 0.000 2.159 11 R HA -0.111 4.228 4.340 -0.001 0.000 0.237 11 R C 1.914 178.197 176.300 -0.027 0.000 1.131 11 R CA 1.916 58.022 56.100 0.010 0.000 0.982 11 R CB -0.379 29.920 30.300 -0.003 0.000 0.868 11 R HN 0.274 nan 8.270 nan 0.000 0.453 12 S N -1.359 114.309 115.700 -0.053 0.000 2.548 12 S HA 0.034 4.503 4.470 -0.001 0.000 0.215 12 S C 1.389 175.915 174.600 -0.124 0.000 0.976 12 S CA -0.144 58.014 58.200 -0.070 0.000 0.908 12 S CB 0.484 63.649 63.200 -0.059 0.000 0.781 12 S HN 0.388 nan 8.310 nan 0.000 0.519 13 Q N -0.555 119.105 119.800 -0.234 0.000 2.423 13 Q HA 0.232 4.571 4.340 -0.001 0.000 0.231 13 Q C 0.411 176.151 176.000 -0.434 0.000 0.894 13 Q CA 0.566 56.102 55.803 -0.446 0.000 0.938 13 Q CB 0.064 28.304 28.738 -0.831 0.000 1.079 13 Q HN 0.790 nan 8.270 nan 0.000 0.552 14 Y N -0.316 120.009 120.300 0.042 0.000 2.531 14 Y HA 0.269 4.818 4.550 -0.001 0.000 0.249 14 Y C 0.425 176.242 175.900 -0.139 0.000 1.168 14 Y CA -0.544 57.601 58.100 0.074 0.000 1.226 14 Y CB 0.586 39.077 38.460 0.051 0.000 1.177 14 Y HN -0.034 nan 8.280 nan 0.000 0.527 15 N N 1.688 120.363 118.700 -0.041 0.000 3.303 15 N HA 0.055 4.794 4.740 -0.001 0.000 0.304 15 N C 0.457 175.859 175.510 -0.181 0.000 1.302 15 N CA 0.015 52.939 53.050 -0.211 0.000 1.213 15 N CB -0.469 37.943 38.487 -0.124 0.000 1.481 15 N HN 0.456 nan 8.380 nan 0.000 0.546 16 F N -1.262 118.660 119.950 -0.048 0.000 2.502 16 F HA 0.100 4.626 4.527 -0.001 0.000 0.298 16 F C 1.580 177.338 175.800 -0.069 0.000 1.111 16 F CA 0.085 58.052 58.000 -0.054 0.000 1.445 16 F CB -0.122 38.848 39.000 -0.050 0.000 1.081 16 F HN 0.058 nan 8.300 nan 0.000 0.558 17 I N 1.646 122.051 120.570 -0.276 0.000 2.333 17 I HA -0.083 4.086 4.170 -0.001 0.000 0.246 17 I C 2.770 178.836 176.117 -0.084 0.000 1.106 17 I CA 1.156 62.375 61.300 -0.136 0.000 1.411 17 I CB -1.690 36.158 38.000 -0.254 0.000 1.082 17 I HN 0.282 nan 8.210 nan 0.000 0.420 18 A N 0.605 123.352 122.820 -0.122 0.000 1.933 18 A HA -0.222 4.097 4.320 -0.001 0.000 0.218 18 A C 1.972 179.535 177.584 -0.034 0.000 1.175 18 A CA 1.904 53.896 52.037 -0.074 0.000 0.628 18 A CB -0.578 18.372 19.000 -0.083 0.000 0.814 18 A HN 0.333 nan 8.150 nan 0.000 0.444 19 D N -0.390 120.002 120.400 -0.015 0.000 2.117 19 D HA -0.097 4.542 4.640 -0.001 0.000 0.197 19 D C 2.042 178.355 176.300 0.021 0.000 0.987 19 D CA 1.345 55.353 54.000 0.013 0.000 0.829 19 D CB -0.360 40.466 40.800 0.043 0.000 0.961 19 D HN 0.198 nan 8.370 nan 0.000 0.460 20 V N 0.425 120.359 119.914 0.033 0.000 2.343 20 V HA -0.194 3.925 4.120 -0.001 0.000 0.247 20 V C 2.586 178.687 176.094 0.012 0.000 1.051 20 V CA 0.968 63.286 62.300 0.031 0.000 1.036 20 V CB -0.310 31.542 31.823 0.048 0.000 0.654 20 V HN 0.063 nan 8.190 nan 0.000 0.451 21 V N -0.154 119.761 119.914 0.002 0.000 2.343 21 V HA -0.287 3.832 4.120 -0.001 0.000 0.247 21 V C 2.429 178.522 176.094 -0.002 0.000 1.051 21 V CA 2.362 64.659 62.300 -0.005 0.000 1.036 21 V CB -0.541 31.271 31.823 -0.017 0.000 0.654 21 V HN 0.663 nan 8.190 nan 0.000 0.451 22 E N 0.326 120.524 120.200 -0.003 0.000 2.051 22 E HA -0.282 4.067 4.350 -0.001 0.000 0.192 22 E C 2.351 178.955 176.600 0.007 0.000 0.991 22 E CA 1.587 57.986 56.400 -0.000 0.000 0.799 22 E CB -0.105 29.593 29.700 -0.004 0.000 0.748 22 E HN 0.541 nan 8.360 nan 0.000 0.449 23 K N -0.243 120.162 120.400 0.010 0.000 2.097 23 K HA -0.119 4.201 4.320 -0.001 0.000 0.206 23 K C 2.071 178.680 176.600 0.015 0.000 1.049 23 K CA 1.819 58.114 56.287 0.013 0.000 0.933 23 K CB -0.062 32.446 32.500 0.014 0.000 0.717 23 K HN 0.241 nan 8.250 nan 0.000 0.442 24 T N -2.911 111.651 114.554 0.013 0.000 3.037 24 T HA 0.238 4.588 4.350 -0.001 0.000 0.251 24 T C 1.900 176.617 174.700 0.028 0.000 1.079 24 T CA 0.413 62.521 62.100 0.014 0.000 1.067 24 T CB 0.202 69.066 68.868 -0.006 0.000 0.948 24 T HN 0.174 nan 8.240 nan 0.000 0.496 25 A N 3.215 126.051 122.820 0.026 0.000 1.903 25 A HA 0.000 4.319 4.320 -0.001 0.000 0.219 25 A C 0.305 177.924 177.584 0.058 0.000 1.191 25 A CA 1.640 53.699 52.037 0.038 0.000 0.638 25 A CB -1.794 17.220 19.000 0.023 0.000 0.823 25 A HN 0.485 nan 8.150 nan 0.000 0.451 26 P HA -0.113 nan 4.420 nan 0.000 0.218 26 P C 1.137 178.479 177.300 0.071 0.000 1.146 26 P CA 1.804 64.939 63.100 0.059 0.000 0.813 26 P CB -0.023 31.704 31.700 0.045 0.000 0.778 27 A N -1.715 121.151 122.820 0.078 0.000 2.308 27 A HA 0.190 4.509 4.320 -0.001 0.000 0.217 27 A C 0.672 178.345 177.584 0.148 0.000 1.216 27 A CA 0.091 52.188 52.037 0.101 0.000 0.864 27 A CB -0.173 18.890 19.000 0.104 0.000 0.902 27 A HN -0.020 nan 8.150 nan 0.000 0.499 28 V N 1.094 121.091 119.914 0.139 0.000 2.567 28 V HA 0.471 4.590 4.120 -0.001 0.000 0.289 28 V C 0.278 176.476 176.094 0.173 0.000 1.049 28 V CA -0.106 62.298 62.300 0.174 0.000 0.969 28 V CB 1.278 33.182 31.823 0.136 0.000 0.995 28 V HN 0.430 nan 8.190 nan 0.000 0.471 29 V N 2.567 122.591 119.914 0.184 0.000 3.141 29 V HA 0.674 4.793 4.120 -0.001 0.000 0.312 29 V C -1.379 174.859 176.094 0.241 0.000 1.157 29 V CA -1.011 61.401 62.300 0.187 0.000 1.041 29 V CB 2.047 33.936 31.823 0.110 0.000 1.071 29 V HN 0.674 nan 8.190 nan 0.000 0.441 30 Y N 1.716 122.078 120.300 0.102 0.000 2.330 30 Y HA 0.787 5.336 4.550 -0.002 0.000 0.336 30 Y C -0.427 175.503 175.900 0.050 0.000 1.036 30 Y CA -1.387 56.773 58.100 0.099 0.000 1.125 30 Y CB 1.370 39.899 38.460 0.114 0.000 1.194 30 Y HN 0.697 nan 8.280 nan 0.000 0.469 31 I N 6.085 126.386 120.570 -0.447 0.000 2.406 31 I HA 0.375 4.545 4.170 -0.001 0.000 0.290 31 I C -0.882 174.887 176.117 -0.580 0.000 0.999 31 I CA -0.673 60.410 61.300 -0.363 0.000 1.124 31 I CB 1.884 39.774 38.000 -0.183 0.000 1.289 31 I HN 0.620 nan 8.210 nan 0.000 0.441 32 E N 7.305 127.277 120.200 -0.380 0.000 2.308 32 E HA 0.549 4.898 4.350 -0.001 0.000 0.275 32 E C -1.659 174.880 176.600 -0.102 0.000 0.890 32 E CA -0.625 55.614 56.400 -0.269 0.000 0.754 32 E CB 2.410 31.990 29.700 -0.200 0.000 1.207 32 E HN 0.528 nan 8.360 nan 0.000 0.426 33 I N 5.251 125.785 120.570 -0.059 0.000 2.390 33 I HA 0.293 4.462 4.170 -0.001 0.000 0.283 33 I C -1.130 174.979 176.117 -0.014 0.000 1.016 33 I CA -0.853 60.427 61.300 -0.034 0.000 1.151 33 I CB 1.339 39.322 38.000 -0.029 0.000 1.293 33 I HN 0.365 nan 8.210 nan 0.000 0.458 34 L N 6.424 127.638 121.223 -0.015 0.000 2.415 34 L HA 0.513 4.852 4.340 -0.001 0.000 0.268 34 L C -0.898 175.937 176.870 -0.057 0.000 0.984 34 L CA -0.269 54.564 54.840 -0.013 0.000 0.853 34 L CB 1.176 43.245 42.059 0.016 0.000 1.215 34 L HN 0.322 nan 8.230 nan 0.000 0.419 35 D N 4.970 125.318 120.400 -0.087 0.000 2.343 35 D HA 0.249 4.888 4.640 -0.001 0.000 0.255 35 D C -0.049 176.024 176.300 -0.379 0.000 1.187 35 D CA 0.036 53.908 54.000 -0.213 0.000 0.875 35 D CB 0.875 41.567 40.800 -0.181 0.000 1.136 35 D HN 0.284 nan 8.370 nan 0.000 0.469 36 R N 2.510 122.794 120.500 -0.360 0.000 2.297 36 R HA 0.283 4.622 4.340 -0.001 0.000 0.308 36 R C -0.162 175.885 176.300 -0.422 0.000 1.029 36 R CA -0.429 55.498 56.100 -0.289 0.000 0.929 36 R CB 0.777 31.003 30.300 -0.124 0.000 1.046 36 R HN 0.464 nan 8.270 nan 0.000 0.461 37 H N 3.609 122.699 119.070 0.034 0.000 2.541 37 H HA 0.205 4.760 4.556 -0.001 0.000 0.246 37 H C -1.798 173.566 175.328 0.059 0.000 1.341 37 H CA -2.166 53.913 56.048 0.051 0.000 1.469 37 H CB 1.253 31.043 29.762 0.048 0.000 1.472 37 H HN 0.264 nan 8.280 nan 0.000 0.503 38 P HA -0.217 nan 4.420 nan 0.000 0.213 38 P C 1.713 179.107 177.300 0.157 0.000 1.170 38 P CA 1.024 64.198 63.100 0.124 0.000 0.902 38 P CB 0.087 31.855 31.700 0.113 0.000 0.789 39 F N 0.021 120.002 119.950 0.051 0.000 2.126 39 F HA -0.150 4.377 4.527 -0.001 0.000 0.299 39 F C 1.864 177.684 175.800 0.033 0.000 1.096 39 F CA 1.516 59.537 58.000 0.036 0.000 1.255 39 F CB -0.888 38.130 39.000 0.029 0.000 0.997 39 F HN -0.238 nan 8.300 nan 0.000 0.479 40 L N -0.227 121.015 121.223 0.031 0.000 2.552 40 L HA 0.157 4.496 4.340 -0.001 0.000 0.227 40 L C 1.584 178.418 176.870 -0.060 0.000 1.146 40 L CA 0.557 55.352 54.840 -0.076 0.000 0.858 40 L CB -1.294 40.776 42.059 0.018 0.000 0.969 40 L HN 0.366 nan 8.230 nan 0.000 0.451 41 G N 1.481 110.273 108.800 -0.013 0.000 2.323 41 G HA2 -0.300 3.659 3.960 -0.001 0.000 0.292 41 G HA3 -0.300 3.659 3.960 -0.001 0.000 0.292 41 G C 0.189 175.103 174.900 0.022 0.000 1.040 41 G CA 0.495 45.592 45.100 -0.005 0.000 0.942 41 G HN 0.420 nan 8.290 nan 0.000 0.506 42 R N -0.730 119.814 120.500 0.074 0.000 2.817 42 R HA 0.653 4.992 4.340 -0.001 0.000 0.268 42 R C -1.147 175.234 176.300 0.136 0.000 1.027 42 R CA -0.734 55.420 56.100 0.090 0.000 0.928 42 R CB 1.376 31.726 30.300 0.082 0.000 1.228 42 R HN 0.285 nan 8.270 nan 0.000 0.469 43 E N 0.478 120.746 120.200 0.114 0.000 2.367 43 E HA 0.395 4.744 4.350 -0.001 0.000 0.273 43 E C -1.494 175.172 176.600 0.109 0.000 0.903 43 E CA -0.965 55.483 56.400 0.080 0.000 0.764 43 E CB 3.024 32.737 29.700 0.021 0.000 1.252 43 E HN 0.186 nan 8.360 nan 0.000 0.446 44 V N 3.012 122.980 119.914 0.089 0.000 2.376 44 V HA 0.301 4.420 4.120 -0.001 0.000 0.287 44 V C -2.463 173.656 176.094 0.041 0.000 1.015 44 V CA -2.014 60.342 62.300 0.092 0.000 0.834 44 V CB 1.404 33.328 31.823 0.169 0.000 1.001 44 V HN 0.519 nan 8.190 nan 0.000 0.428 45 P HA 0.248 nan 4.420 nan 0.000 0.271 45 P C 0.398 177.703 177.300 0.010 0.000 1.233 45 P CA 0.059 63.174 63.100 0.024 0.000 0.764 45 P CB 0.804 32.516 31.700 0.021 0.000 0.825 46 I N 0.556 121.131 120.570 0.008 0.000 2.834 46 I HA 0.108 4.277 4.170 -0.001 0.000 0.239 46 I C 1.077 177.195 176.117 0.003 0.000 1.073 46 I CA 1.195 62.496 61.300 0.002 0.000 1.459 46 I CB -0.763 37.238 38.000 0.001 0.000 1.288 46 I HN 0.281 nan 8.210 nan 0.000 0.455 47 S N -0.247 115.458 115.700 0.009 0.000 2.627 47 S HA 0.639 5.108 4.470 -0.001 0.000 0.283 47 S C -1.215 173.404 174.600 0.031 0.000 1.127 47 S CA -0.422 57.792 58.200 0.025 0.000 0.863 47 S CB 2.121 65.340 63.200 0.032 0.000 1.121 47 S HN 0.339 nan 8.310 nan 0.000 0.479 48 N N -0.586 118.166 118.700 0.088 0.000 2.636 48 N HA 0.728 5.467 4.740 -0.001 0.000 0.261 48 N C -0.685 174.974 175.510 0.248 0.000 1.195 48 N CA 0.437 53.579 53.050 0.154 0.000 0.902 48 N CB 1.837 40.563 38.487 0.398 0.000 1.627 48 N HN 1.031 nan 8.380 nan 0.000 0.491 49 G N -0.188 108.662 108.800 0.083 0.000 2.325 49 G HA2 0.419 4.378 3.960 -0.001 0.000 0.295 49 G HA3 0.419 4.378 3.960 -0.001 0.000 0.295 49 G C -1.633 173.286 174.900 0.032 0.000 1.274 49 G CA -0.471 44.690 45.100 0.103 0.000 0.857 49 G HN 0.534 nan 8.290 nan 0.000 0.499 50 S N -1.792 113.952 115.700 0.073 0.000 2.759 50 S HA 0.977 5.447 4.470 -0.001 0.000 0.310 50 S C 0.240 174.899 174.600 0.097 0.000 1.123 50 S CA 0.058 58.325 58.200 0.113 0.000 0.959 50 S CB 1.671 64.959 63.200 0.145 0.000 1.172 50 S HN 1.861 nan 8.310 nan 0.000 0.539 51 G N -0.072 108.815 108.800 0.144 0.000 2.548 51 G HA2 0.701 4.660 3.960 -0.001 0.000 0.301 51 G HA3 0.701 4.660 3.960 -0.001 0.000 0.301 51 G C -2.067 172.983 174.900 0.250 0.000 1.349 51 G CA -0.764 44.408 45.100 0.121 0.000 0.792 51 G HN 0.788 nan 8.290 nan 0.000 0.481 52 F N -1.520 118.448 119.950 0.030 0.000 2.641 52 F HA 0.693 5.219 4.527 -0.002 0.000 0.308 52 F C -0.643 175.167 175.800 0.017 0.000 1.105 52 F CA -1.511 56.506 58.000 0.029 0.000 0.964 52 F CB 1.417 40.437 39.000 0.033 0.000 1.294 52 F HN 0.388 nan 8.300 nan 0.000 0.442 53 V N 2.970 122.958 119.914 0.123 0.000 2.470 53 V HA 0.121 4.241 4.120 -0.001 0.000 0.276 53 V C 0.480 176.629 176.094 0.093 0.000 1.040 53 V CA -0.003 62.315 62.300 0.030 0.000 1.008 53 V CB 0.950 32.793 31.823 0.033 0.000 0.990 53 V HN 0.904 nan 8.190 nan 0.000 0.477 54 V N 4.127 124.043 119.914 0.004 0.000 3.523 54 V HA 0.541 4.660 4.120 -0.001 0.000 0.255 54 V C 0.864 176.972 176.094 0.025 0.000 1.226 54 V CA 1.011 63.347 62.300 0.060 0.000 1.092 54 V CB 0.662 32.493 31.823 0.015 0.000 0.817 54 V HN 0.911 nan 8.190 nan 0.000 0.458 55 A N -0.764 122.049 122.820 -0.011 0.000 2.356 55 A HA 0.785 5.104 4.320 -0.001 0.000 0.310 55 A C 0.912 178.483 177.584 -0.022 0.000 1.075 55 A CA 0.189 52.216 52.037 -0.016 0.000 0.746 55 A CB 1.676 20.656 19.000 -0.032 0.000 1.221 55 A HN 0.615 nan 8.150 nan 0.000 0.443 56 A N 1.734 124.546 122.820 -0.014 0.000 2.076 56 A HA -0.125 4.194 4.320 -0.001 0.000 0.220 56 A C 1.127 178.691 177.584 -0.034 0.000 1.160 56 A CA 2.130 54.155 52.037 -0.019 0.000 0.653 56 A CB -0.597 18.397 19.000 -0.010 0.000 0.801 56 A HN 0.927 nan 8.150 nan 0.000 0.455 57 D N -2.758 117.620 120.400 -0.036 0.000 2.325 57 D HA 0.365 5.004 4.640 -0.001 0.000 0.234 57 D C 0.941 177.206 176.300 -0.060 0.000 1.122 57 D CA 0.678 54.653 54.000 -0.042 0.000 0.850 57 D CB -0.396 40.385 40.800 -0.032 0.000 0.921 57 D HN 0.632 nan 8.370 nan 0.000 0.513 58 G N -0.321 108.435 108.800 -0.074 0.000 2.154 58 G HA2 -0.205 3.755 3.960 -0.001 0.000 0.186 58 G HA3 -0.205 3.755 3.960 -0.001 0.000 0.186 58 G C -0.332 174.515 174.900 -0.089 0.000 1.000 58 G CA -0.171 44.871 45.100 -0.098 0.000 0.664 58 G HN 0.393 nan 8.290 nan 0.000 0.513 59 L N 1.667 122.844 121.223 -0.077 0.000 2.281 59 L HA 0.785 5.124 4.340 -0.001 0.000 0.285 59 L C 0.176 176.979 176.870 -0.112 0.000 1.074 59 L CA -0.659 54.130 54.840 -0.086 0.000 0.817 59 L CB 0.559 42.572 42.059 -0.077 0.000 1.168 59 L HN 0.176 nan 8.230 nan 0.000 0.434 60 I N 5.115 125.605 120.570 -0.133 0.000 2.569 60 I HA 0.475 4.644 4.170 -0.001 0.000 0.296 60 I C -0.733 175.231 176.117 -0.256 0.000 1.028 60 I CA -0.930 60.253 61.300 -0.195 0.000 1.082 60 I CB 2.174 40.089 38.000 -0.142 0.000 1.264 60 I HN 0.230 nan 8.210 nan 0.000 0.429 61 V N 3.970 123.586 119.914 -0.497 0.000 2.667 61 V HA 0.721 4.840 4.120 -0.001 0.000 0.308 61 V C -0.066 175.777 176.094 -0.418 0.000 1.048 61 V CA -0.172 61.828 62.300 -0.500 0.000 0.928 61 V CB 2.014 33.363 31.823 -0.790 0.000 1.004 61 V HN 0.897 nan 8.190 nan 0.000 0.444 62 T N 2.337 116.785 114.554 -0.176 0.000 2.653 62 T HA 0.330 4.679 4.350 -0.001 0.000 0.306 62 T C -1.396 173.271 174.700 -0.056 0.000 1.426 62 T CA -0.660 61.392 62.100 -0.080 0.000 1.008 62 T CB 1.646 70.461 68.868 -0.087 0.000 1.692 62 T HN 0.577 nan 8.240 nan 0.000 0.483 63 N N 0.661 119.304 118.700 -0.095 0.000 2.524 63 N HA 0.499 5.238 4.740 -0.001 0.000 0.283 63 N C 1.052 176.481 175.510 -0.136 0.000 1.142 63 N CA 0.408 53.384 53.050 -0.122 0.000 0.984 63 N CB 1.577 39.894 38.487 -0.284 0.000 1.155 63 N HN 0.725 nan 8.380 nan 0.000 0.467 64 A N 1.608 124.400 122.820 -0.046 0.000 1.933 64 A HA -0.193 4.127 4.320 -0.001 0.000 0.218 64 A C 1.670 179.297 177.584 0.071 0.000 1.175 64 A CA 1.345 53.386 52.037 0.007 0.000 0.628 64 A CB -0.937 18.074 19.000 0.019 0.000 0.814 64 A HN 0.885 nan 8.150 nan 0.000 0.444 65 H N -1.116 118.012 119.070 0.097 0.000 2.521 65 H HA 0.018 4.573 4.556 -0.001 0.000 0.286 65 H C 1.582 176.972 175.328 0.104 0.000 1.034 65 H CA 1.424 57.546 56.048 0.124 0.000 1.278 65 H CB -0.464 29.377 29.762 0.132 0.000 1.386 65 H HN 0.250 nan 8.280 nan 0.000 0.567 66 V N 1.820 121.564 119.914 -0.283 0.000 2.488 66 V HA -0.172 3.948 4.120 -0.001 0.000 0.246 66 V C 2.904 178.970 176.094 -0.047 0.000 1.046 66 V CA 1.304 63.505 62.300 -0.165 0.000 1.053 66 V CB -0.013 31.681 31.823 -0.216 0.000 0.679 66 V HN 0.541 nan 8.190 nan 0.000 0.458 67 V N -2.473 117.418 119.914 -0.038 0.000 3.608 67 V HA 0.514 4.634 4.120 -0.001 0.000 0.269 67 V C 1.429 177.520 176.094 -0.005 0.000 1.245 67 V CA 0.327 62.613 62.300 -0.024 0.000 1.138 67 V CB -0.733 31.073 31.823 -0.029 0.000 0.841 67 V HN 0.559 nan 8.190 nan 0.000 0.451 68 A N 2.813 125.669 122.820 0.060 0.000 5.395 68 A HA -0.415 3.904 4.320 -0.001 0.000 0.332 68 A C 1.411 178.912 177.584 -0.140 0.000 1.754 68 A CA 2.284 54.378 52.037 0.095 0.000 0.716 68 A CB -2.049 16.998 19.000 0.079 0.000 1.411 68 A HN 1.031 nan 8.150 nan 0.000 0.398 69 D N -0.112 120.024 120.400 -0.440 0.000 2.368 69 D HA 0.304 4.943 4.640 -0.001 0.000 0.218 69 D C 0.560 176.703 176.300 -0.261 0.000 1.112 69 D CA -0.005 53.648 54.000 -0.577 0.000 0.834 69 D CB -0.122 40.047 40.800 -1.052 0.000 0.953 69 D HN 0.455 nan 8.370 nan 0.000 0.505 70 R N 0.529 120.934 120.500 -0.157 0.000 2.582 70 R HA 0.365 4.704 4.340 -0.001 0.000 0.271 70 R C 1.503 177.762 176.300 -0.068 0.000 1.078 70 R CA -0.176 55.867 56.100 -0.094 0.000 1.127 70 R CB 0.820 31.081 30.300 -0.066 0.000 1.038 70 R HN -0.070 nan 8.270 nan 0.000 0.500 71 R N 1.038 121.508 120.500 -0.050 0.000 2.223 71 R HA 0.187 4.526 4.340 -0.001 0.000 0.198 71 R C 0.015 176.299 176.300 -0.027 0.000 0.984 71 R CA 0.600 56.680 56.100 -0.034 0.000 1.018 71 R CB 0.423 30.706 30.300 -0.028 0.000 0.945 71 R HN 0.358 nan 8.270 nan 0.000 0.479 72 R N 0.193 120.675 120.500 -0.029 0.000 2.725 72 R HA 0.431 4.770 4.340 -0.001 0.000 0.277 72 R C -0.955 175.328 176.300 -0.029 0.000 0.987 72 R CA -0.631 55.455 56.100 -0.024 0.000 0.901 72 R CB 2.686 32.976 30.300 -0.018 0.000 1.207 72 R HN -0.103 nan 8.270 nan 0.000 0.463 73 V N -1.584 118.314 119.914 -0.027 0.000 3.206 73 V HA 0.651 4.770 4.120 -0.001 0.000 0.305 73 V C -1.008 175.071 176.094 -0.025 0.000 1.257 73 V CA -1.199 61.079 62.300 -0.036 0.000 1.057 73 V CB 2.159 33.952 31.823 -0.051 0.000 1.075 73 V HN 0.761 nan 8.190 nan 0.000 0.443 74 R N 0.520 121.000 120.500 -0.033 0.000 2.540 74 R HA 0.862 5.201 4.340 -0.001 0.000 0.287 74 R C -1.688 174.603 176.300 -0.016 0.000 0.980 74 R CA -0.481 55.614 56.100 -0.009 0.000 0.966 74 R CB 1.986 32.285 30.300 -0.002 0.000 1.106 74 R HN 0.758 nan 8.270 nan 0.000 0.480 75 V N 3.906 123.844 119.914 0.039 0.000 2.604 75 V HA 0.502 4.621 4.120 -0.001 0.000 0.305 75 V C -0.619 175.542 176.094 0.111 0.000 1.043 75 V CA -0.817 61.516 62.300 0.055 0.000 0.888 75 V CB 1.902 33.754 31.823 0.048 0.000 0.995 75 V HN 0.742 nan 8.190 nan 0.000 0.429 76 R N 4.018 124.585 120.500 0.113 0.000 2.476 76 R HA 0.653 4.992 4.340 -0.001 0.000 0.305 76 R C -1.121 175.215 176.300 0.060 0.000 0.965 76 R CA -0.578 55.531 56.100 0.014 0.000 0.867 76 R CB 1.177 31.326 30.300 -0.251 0.000 1.176 76 R HN 0.695 nan 8.270 nan 0.000 0.447 77 L N 4.095 125.376 121.223 0.097 0.000 2.475 77 L HA 0.133 4.472 4.340 -0.001 0.000 0.253 77 L C 1.536 178.525 176.870 0.199 0.000 1.198 77 L CA -0.545 54.378 54.840 0.139 0.000 0.814 77 L CB 0.349 42.493 42.059 0.142 0.000 1.134 77 L HN 0.647 nan 8.230 nan 0.000 0.478 78 L N 1.461 122.813 121.223 0.215 0.000 2.081 78 L HA -0.230 4.109 4.340 -0.001 0.000 0.212 78 L C 2.578 179.598 176.870 0.249 0.000 1.080 78 L CA 2.256 57.249 54.840 0.254 0.000 0.754 78 L CB -0.657 41.491 42.059 0.147 0.000 0.893 78 L HN 0.872 nan 8.230 nan 0.000 0.433 79 S N -1.212 114.592 115.700 0.173 0.000 2.500 79 S HA 0.100 4.570 4.470 -0.001 0.000 0.239 79 S C 1.695 176.390 174.600 0.159 0.000 0.989 79 S CA 0.737 59.022 58.200 0.141 0.000 0.951 79 S CB -0.633 62.631 63.200 0.107 0.000 0.759 79 S HN 0.916 nan 8.310 nan 0.000 0.523 80 G N 0.762 109.666 108.800 0.173 0.000 2.194 80 G HA2 -0.190 3.770 3.960 -0.001 0.000 0.236 80 G HA3 -0.190 3.770 3.960 -0.001 0.000 0.236 80 G C -0.405 174.455 174.900 -0.066 0.000 0.987 80 G CA 0.003 45.137 45.100 0.057 0.000 0.635 80 G HN 0.565 nan 8.290 nan 0.000 0.520 81 D N 1.878 122.286 120.400 0.013 0.000 2.382 81 D HA 0.453 5.092 4.640 -0.001 0.000 0.245 81 D C 0.956 177.240 176.300 -0.025 0.000 1.120 81 D CA 1.299 55.285 54.000 -0.022 0.000 0.890 81 D CB 1.270 42.109 40.800 0.065 0.000 1.201 81 D HN 0.500 nan 8.370 nan 0.000 0.433 82 T N -0.654 113.797 114.554 -0.173 0.000 2.888 82 T HA 0.626 4.975 4.350 -0.001 0.000 0.284 82 T C -0.737 173.801 174.700 -0.270 0.000 1.017 82 T CA -0.722 61.318 62.100 -0.100 0.000 1.022 82 T CB 0.959 69.766 68.868 -0.102 0.000 1.013 82 T HN 0.212 nan 8.240 nan 0.000 0.465 83 Y N -0.377 119.903 120.300 -0.032 0.000 2.576 83 Y HA 0.611 5.160 4.550 -0.002 0.000 0.346 83 Y C -0.057 175.827 175.900 -0.027 0.000 1.018 83 Y CA -1.373 56.712 58.100 -0.025 0.000 1.050 83 Y CB 1.873 40.321 38.460 -0.020 0.000 1.280 83 Y HN 0.739 nan 8.280 nan 0.000 0.474 84 E N 1.491 121.769 120.200 0.130 0.000 2.167 84 E HA 0.665 5.014 4.350 -0.001 0.000 0.284 84 E C -1.247 175.393 176.600 0.066 0.000 1.016 84 E CA -0.317 56.120 56.400 0.062 0.000 0.817 84 E CB 0.700 30.419 29.700 0.031 0.000 1.080 84 E HN 0.676 nan 8.360 nan 0.000 0.397 85 A N 3.633 126.474 122.820 0.034 0.000 2.337 85 A HA 0.687 5.006 4.320 -0.001 0.000 0.331 85 A C -1.056 176.526 177.584 -0.004 0.000 1.137 85 A CA -0.787 51.257 52.037 0.011 0.000 0.807 85 A CB 1.495 20.492 19.000 -0.004 0.000 1.250 85 A HN 0.450 nan 8.150 nan 0.000 0.468 86 V N 1.945 121.853 119.914 -0.011 0.000 2.417 86 V HA 0.308 4.427 4.120 -0.001 0.000 0.291 86 V C -0.066 176.018 176.094 -0.017 0.000 1.024 86 V CA -0.603 61.689 62.300 -0.013 0.000 0.861 86 V CB 1.509 33.325 31.823 -0.011 0.000 0.985 86 V HN 0.642 nan 8.190 nan 0.000 0.436 87 V N 4.831 124.735 119.914 -0.015 0.000 2.521 87 V HA 0.152 4.271 4.120 -0.001 0.000 0.286 87 V C 1.417 177.511 176.094 -0.001 0.000 1.034 87 V CA 0.819 63.114 62.300 -0.008 0.000 1.045 87 V CB 1.023 32.841 31.823 -0.007 0.000 0.974 87 V HN 1.117 nan 8.190 nan 0.000 0.480 88 T N 1.010 115.566 114.554 0.002 0.000 2.990 88 T HA 0.567 4.916 4.350 -0.001 0.000 0.249 88 T C 0.424 175.135 174.700 0.019 0.000 1.039 88 T CA 0.496 62.595 62.100 -0.002 0.000 1.036 88 T CB 0.524 69.375 68.868 -0.027 0.000 0.994 88 T HN 1.047 nan 8.240 nan 0.000 0.489 89 A N 0.330 123.191 122.820 0.068 0.000 2.589 89 A HA 0.701 5.020 4.320 -0.001 0.000 0.296 89 A C -1.599 176.169 177.584 0.308 0.000 1.062 89 A CA -0.688 51.446 52.037 0.161 0.000 0.686 89 A CB 1.836 20.872 19.000 0.058 0.000 1.282 89 A HN 0.313 nan 8.150 nan 0.000 0.404 90 V N 1.491 121.581 119.914 0.294 0.000 2.808 90 V HA 0.605 4.724 4.120 -0.001 0.000 0.308 90 V C -1.477 174.655 176.094 0.064 0.000 1.099 90 V CA -0.470 61.926 62.300 0.160 0.000 0.920 90 V CB 2.251 34.127 31.823 0.088 0.000 1.014 90 V HN 0.932 nan 8.190 nan 0.000 0.425 91 D N 4.879 125.151 120.400 -0.214 0.000 2.378 91 D HA 0.433 5.072 4.640 -0.001 0.000 0.265 91 D C -2.025 174.099 176.300 -0.294 0.000 1.229 91 D CA -1.901 51.922 54.000 -0.296 0.000 0.914 91 D CB 2.430 42.863 40.800 -0.612 0.000 1.140 91 D HN 0.135 nan 8.370 nan 0.000 0.516 92 P HA -0.160 nan 4.420 nan 0.000 0.217 92 P C 1.564 178.545 177.300 -0.532 0.000 1.148 92 P CA 0.676 63.600 63.100 -0.293 0.000 0.828 92 P CB 0.474 32.020 31.700 -0.257 0.000 0.783 93 V N 0.116 119.624 119.914 -0.676 0.000 2.261 93 V HA -0.196 3.923 4.120 -0.001 0.000 0.246 93 V C 2.166 178.117 176.094 -0.237 0.000 1.047 93 V CA 2.311 64.295 62.300 -0.527 0.000 1.015 93 V CB -1.864 29.746 31.823 -0.356 0.000 0.642 93 V HN 0.105 nan 8.190 nan 0.000 0.446 94 A N -0.899 121.772 122.820 -0.249 0.000 2.337 94 A HA 0.153 4.472 4.320 -0.001 0.000 0.227 94 A C 0.972 178.460 177.584 -0.160 0.000 1.259 94 A CA 0.510 52.417 52.037 -0.216 0.000 0.870 94 A CB -0.635 18.203 19.000 -0.269 0.000 0.927 94 A HN 0.593 nan 8.150 nan 0.000 0.497 95 D N 0.036 120.368 120.400 -0.114 0.000 2.692 95 D HA -0.177 4.462 4.640 -0.001 0.000 0.233 95 D C -0.009 176.253 176.300 -0.063 0.000 1.172 95 D CA 1.517 55.513 54.000 -0.007 0.000 0.636 95 D CB -1.528 39.370 40.800 0.164 0.000 1.028 95 D HN 0.777 nan 8.370 nan 0.000 0.419 96 I N -3.812 116.616 120.570 -0.237 0.000 2.828 96 I HA 0.896 5.065 4.170 -0.001 0.000 0.302 96 I C -0.484 175.442 176.117 -0.319 0.000 1.101 96 I CA -1.114 60.017 61.300 -0.282 0.000 1.031 96 I CB 2.376 40.135 38.000 -0.403 0.000 1.231 96 I HN 0.072 nan 8.210 nan 0.000 0.427 97 A N 2.443 125.216 122.820 -0.079 0.000 2.606 97 A HA 0.851 5.170 4.320 -0.001 0.000 0.293 97 A C -0.613 177.075 177.584 0.173 0.000 1.082 97 A CA -0.420 51.679 52.037 0.102 0.000 0.685 97 A CB 1.815 20.833 19.000 0.030 0.000 1.284 97 A HN 0.936 nan 8.150 nan 0.000 0.408 98 T N -0.479 114.192 114.554 0.194 0.000 2.887 98 T HA 0.800 5.150 4.350 -0.001 0.000 0.288 98 T C -0.356 174.345 174.700 0.002 0.000 1.021 98 T CA -0.460 61.671 62.100 0.051 0.000 1.000 98 T CB 1.014 69.876 68.868 -0.010 0.000 1.034 98 T HN 1.685 nan 8.240 nan 0.000 0.467 99 L N -0.678 120.520 121.223 -0.041 0.000 2.409 99 L HA 0.891 5.230 4.340 -0.001 0.000 0.255 99 L C -0.973 175.863 176.870 -0.056 0.000 1.027 99 L CA -1.581 53.234 54.840 -0.042 0.000 0.834 99 L CB 2.251 44.283 42.059 -0.043 0.000 1.426 99 L HN 0.630 nan 8.230 nan 0.000 0.411 100 R N 1.624 122.096 120.500 -0.047 0.000 2.673 100 R HA 0.783 5.122 4.340 -0.001 0.000 0.281 100 R C -1.146 175.126 176.300 -0.046 0.000 0.991 100 R CA -0.689 55.378 56.100 -0.054 0.000 0.896 100 R CB 2.811 33.083 30.300 -0.047 0.000 1.201 100 R HN 0.852 nan 8.270 nan 0.000 0.457 101 I N -1.778 118.749 120.570 -0.072 0.000 2.957 101 I HA 0.495 4.664 4.170 -0.001 0.000 0.310 101 I C -0.934 175.132 176.117 -0.086 0.000 1.063 101 I CA -1.186 60.071 61.300 -0.072 0.000 1.033 101 I CB 2.414 40.319 38.000 -0.157 0.000 1.230 101 I HN 0.406 nan 8.210 nan 0.000 0.447 102 Q N 2.464 122.244 119.800 -0.033 0.000 2.333 102 Q HA 0.529 4.868 4.340 -0.001 0.000 0.268 102 Q C -1.134 174.868 176.000 0.002 0.000 1.007 102 Q CA -0.666 55.129 55.803 -0.013 0.000 0.810 102 Q CB 2.418 31.175 28.738 0.033 0.000 1.264 102 Q HN 0.713 nan 8.270 nan 0.000 0.452 103 T N 0.889 115.411 114.554 -0.052 0.000 2.930 103 T HA 0.282 4.631 4.350 -0.001 0.000 0.290 103 T C 0.777 175.495 174.700 0.030 0.000 1.052 103 T CA -0.844 61.249 62.100 -0.012 0.000 1.017 103 T CB 1.749 70.527 68.868 -0.151 0.000 1.137 103 T HN 0.392 nan 8.240 nan 0.000 0.511 104 K N 0.248 120.687 120.400 0.064 0.000 2.062 104 K HA 0.068 4.387 4.320 -0.001 0.000 0.205 104 K C 0.554 177.168 176.600 0.023 0.000 1.051 104 K CA 0.924 57.237 56.287 0.044 0.000 0.941 104 K CB 0.222 32.754 32.500 0.054 0.000 0.719 104 K HN 0.441 nan 8.250 nan 0.000 0.440 105 E N 0.492 120.704 120.200 0.020 0.000 2.235 105 E HA 0.315 4.664 4.350 -0.001 0.000 0.265 105 E C -2.506 174.090 176.600 -0.006 0.000 0.940 105 E CA -2.566 53.839 56.400 0.009 0.000 0.819 105 E CB 0.907 30.617 29.700 0.017 0.000 1.206 105 E HN -0.130 nan 8.360 nan 0.000 0.409 106 P HA 0.062 nan 4.420 nan 0.000 0.268 106 P C -0.493 176.797 177.300 -0.016 0.000 1.208 106 P CA 0.252 63.343 63.100 -0.014 0.000 0.777 106 P CB 0.433 32.130 31.700 -0.006 0.000 0.875 107 L N 4.079 125.287 121.223 -0.026 0.000 2.344 107 L HA 0.488 4.827 4.340 -0.001 0.000 0.272 107 L C -2.052 174.816 176.870 -0.002 0.000 1.035 107 L CA -2.237 52.588 54.840 -0.024 0.000 0.807 107 L CB 0.939 42.967 42.059 -0.053 0.000 1.237 107 L HN 0.238 nan 8.230 nan 0.000 0.442 108 P HA 0.185 nan 4.420 nan 0.000 0.272 108 P C -0.845 176.476 177.300 0.034 0.000 1.223 108 P CA -0.257 62.858 63.100 0.024 0.000 0.784 108 P CB 0.843 32.562 31.700 0.032 0.000 0.923 109 T N -0.838 113.741 114.554 0.042 0.000 2.887 109 T HA 0.728 5.077 4.350 -0.001 0.000 0.292 109 T C -0.851 173.894 174.700 0.075 0.000 1.087 109 T CA -0.933 61.206 62.100 0.064 0.000 1.009 109 T CB 0.796 69.694 68.868 0.049 0.000 1.203 109 T HN 0.110 nan 8.240 nan 0.000 0.518 110 L N 1.927 123.219 121.223 0.114 0.000 2.356 110 L HA 0.558 4.897 4.340 -0.001 0.000 0.277 110 L C -2.273 174.648 176.870 0.085 0.000 0.996 110 L CA -2.289 52.602 54.840 0.084 0.000 0.822 110 L CB 2.371 44.469 42.059 0.065 0.000 1.256 110 L HN 0.568 nan 8.230 nan 0.000 0.413 111 P HA 0.231 nan 4.420 nan 0.000 0.277 111 P C -1.029 176.294 177.300 0.037 0.000 1.240 111 P CA -0.405 62.720 63.100 0.042 0.000 0.798 111 P CB 1.279 32.993 31.700 0.023 0.000 0.979 112 L N 1.720 122.972 121.223 0.048 0.000 2.276 112 L HA 0.459 4.799 4.340 -0.001 0.000 0.286 112 L C 1.341 178.223 176.870 0.019 0.000 1.061 112 L CA -0.397 54.469 54.840 0.043 0.000 0.807 112 L CB 1.046 43.145 42.059 0.066 0.000 1.177 112 L HN 0.502 nan 8.230 nan 0.000 0.429 113 G N 2.754 111.557 108.800 0.005 0.000 2.535 113 G HA2 0.374 4.333 3.960 -0.001 0.000 0.303 113 G HA3 0.374 4.333 3.960 -0.001 0.000 0.303 113 G C -0.300 174.601 174.900 0.001 0.000 1.237 113 G CA -0.696 44.404 45.100 0.001 0.000 0.986 113 G HN 0.421 nan 8.290 nan 0.000 0.494 114 R N 0.565 121.064 120.500 -0.003 0.000 2.235 114 R HA 0.161 4.500 4.340 -0.001 0.000 0.338 114 R C 1.644 177.938 176.300 -0.010 0.000 1.087 114 R CA 0.094 56.191 56.100 -0.005 0.000 0.948 114 R CB 0.860 31.156 30.300 -0.006 0.000 1.099 114 R HN 0.640 nan 8.270 nan 0.000 0.483 115 S N 1.643 117.336 115.700 -0.011 0.000 2.419 115 S HA -0.186 4.283 4.470 -0.001 0.000 0.233 115 S C 1.831 176.419 174.600 -0.021 0.000 1.016 115 S CA 1.004 59.194 58.200 -0.017 0.000 0.974 115 S CB 0.025 63.212 63.200 -0.021 0.000 0.786 115 S HN 0.566 nan 8.310 nan 0.000 0.492 116 A N 1.747 124.555 122.820 -0.020 0.000 2.067 116 A HA -0.018 4.301 4.320 -0.001 0.000 0.219 116 A C 1.544 179.117 177.584 -0.019 0.000 1.158 116 A CA 1.309 53.334 52.037 -0.021 0.000 0.661 116 A CB -0.383 18.606 19.000 -0.019 0.000 0.801 116 A HN 0.446 nan 8.150 nan 0.000 0.452 117 D N -0.632 119.758 120.400 -0.017 0.000 2.339 117 D HA 0.152 4.791 4.640 -0.001 0.000 0.217 117 D C 0.084 176.372 176.300 -0.019 0.000 1.050 117 D CA 0.098 54.088 54.000 -0.017 0.000 0.856 117 D CB 0.190 40.982 40.800 -0.014 0.000 0.922 117 D HN 0.129 nan 8.370 nan 0.000 0.518 118 V N 2.182 122.084 119.914 -0.020 0.000 2.479 118 V HA 0.052 4.171 4.120 -0.001 0.000 0.281 118 V C 0.745 176.823 176.094 -0.028 0.000 1.031 118 V CA -0.079 62.209 62.300 -0.021 0.000 1.038 118 V CB 0.356 32.168 31.823 -0.018 0.000 0.981 118 V HN -0.042 nan 8.190 nan 0.000 0.478 119 R N 3.932 124.411 120.500 -0.035 0.000 2.357 119 R HA 0.366 4.706 4.340 -0.001 0.000 0.296 119 R C 0.052 176.320 176.300 -0.053 0.000 1.052 119 R CA -0.595 55.479 56.100 -0.043 0.000 0.988 119 R CB 0.800 31.070 30.300 -0.050 0.000 1.025 119 R HN 0.738 nan 8.270 nan 0.000 0.469 120 Q N 1.186 120.956 119.800 -0.049 0.000 2.263 120 Q HA 0.088 4.427 4.340 -0.001 0.000 0.289 120 Q C 0.576 176.527 176.000 -0.082 0.000 1.061 120 Q CA 1.391 57.163 55.803 -0.052 0.000 0.927 120 Q CB 0.377 29.091 28.738 -0.040 0.000 1.154 120 Q HN 0.910 nan 8.270 nan 0.000 0.378 121 G N 3.110 111.848 108.800 -0.103 0.000 2.213 121 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.226 121 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.226 121 G C -0.160 174.571 174.900 -0.282 0.000 0.992 121 G CA 0.012 45.007 45.100 -0.175 0.000 0.632 121 G HN 0.653 nan 8.290 nan 0.000 0.511 122 E N -0.027 120.059 120.200 -0.191 0.000 2.413 122 E HA 0.347 4.696 4.350 -0.001 0.000 0.263 122 E C -0.102 176.408 176.600 -0.150 0.000 1.015 122 E CA -0.224 56.066 56.400 -0.182 0.000 0.916 122 E CB 0.301 29.960 29.700 -0.068 0.000 0.947 122 E HN 0.306 nan 8.360 nan 0.000 0.440 123 F N 1.958 121.913 119.950 0.008 0.000 2.429 123 F HA 0.176 4.703 4.527 -0.002 0.000 0.348 123 F C 0.617 176.450 175.800 0.055 0.000 1.109 123 F CA -0.433 57.603 58.000 0.060 0.000 1.232 123 F CB 0.741 39.817 39.000 0.127 0.000 1.157 123 F HN 0.140 nan 8.300 nan 0.000 0.564 124 V N 0.642 120.721 119.914 0.275 0.000 3.159 124 V HA 0.804 4.923 4.120 -0.001 0.000 0.308 124 V C -1.271 174.901 176.094 0.130 0.000 1.190 124 V CA -1.012 61.382 62.300 0.156 0.000 1.037 124 V CB 1.765 33.645 31.823 0.094 0.000 1.060 124 V HN 0.395 nan 8.190 nan 0.000 0.437 125 V N 1.109 121.069 119.914 0.078 0.000 2.531 125 V HA 0.799 4.919 4.120 -0.001 0.000 0.301 125 V C 0.426 176.537 176.094 0.029 0.000 1.034 125 V CA -0.055 62.276 62.300 0.052 0.000 0.865 125 V CB 1.644 33.489 31.823 0.037 0.000 0.995 125 V HN 1.408 nan 8.190 nan 0.000 0.424 126 A N 6.910 129.749 122.820 0.033 0.000 2.650 126 A HA 0.629 4.948 4.320 -0.001 0.000 0.320 126 A C 0.141 177.737 177.584 0.021 0.000 1.466 126 A CA -0.373 51.682 52.037 0.030 0.000 1.099 126 A CB -0.200 18.828 19.000 0.046 0.000 1.136 126 A HN 0.690 nan 8.150 nan 0.000 0.532 127 M N 1.844 121.448 119.600 0.008 0.000 2.233 127 M HA 0.437 4.916 4.480 -0.001 0.000 0.350 127 M C 0.643 176.965 176.300 0.036 0.000 1.176 127 M CA 0.279 55.586 55.300 0.012 0.000 1.150 127 M CB 0.904 33.502 32.600 -0.003 0.000 1.530 127 M HN 0.665 nan 8.290 nan 0.000 0.459 128 G N 0.683 109.505 108.800 0.037 0.000 2.672 128 G HA2 0.460 4.419 3.960 -0.001 0.000 0.292 128 G HA3 0.460 4.419 3.960 -0.001 0.000 0.292 128 G C -1.283 173.655 174.900 0.064 0.000 1.375 128 G CA -0.515 44.618 45.100 0.054 0.000 0.890 128 G HN 0.653 nan 8.290 nan 0.000 0.476 129 S N 0.065 115.836 115.700 0.117 0.000 2.565 129 S HA 0.384 4.853 4.470 -0.001 0.000 0.276 129 S C -1.185 173.440 174.600 0.041 0.000 1.326 129 S CA -1.072 57.222 58.200 0.158 0.000 1.045 129 S CB 1.399 64.807 63.200 0.347 0.000 0.918 129 S HN 0.211 nan 8.310 nan 0.000 0.505 130 P HA -0.005 nan 4.420 nan 0.000 0.222 130 P C 0.343 177.369 177.300 -0.456 0.000 1.147 130 P CA 1.113 64.029 63.100 -0.307 0.000 0.790 130 P CB -0.013 31.410 31.700 -0.461 0.000 0.780 131 F N -0.880 118.927 119.950 -0.238 0.000 2.789 131 F HA 0.206 4.732 4.527 -0.002 0.000 0.300 131 F C 1.316 176.772 175.800 -0.574 0.000 1.132 131 F CA -0.191 57.477 58.000 -0.552 0.000 1.404 131 F CB -0.472 37.923 39.000 -1.007 0.000 1.114 131 F HN -0.217 nan 8.300 nan 0.000 0.584 132 A N 0.900 123.706 122.820 -0.024 0.000 2.260 132 A HA 0.558 4.877 4.320 -0.001 0.000 0.312 132 A C 0.732 178.173 177.584 -0.238 0.000 1.321 132 A CA -0.333 51.750 52.037 0.076 0.000 0.928 132 A CB 0.310 19.372 19.000 0.105 0.000 1.158 132 A HN 0.405 nan 8.150 nan 0.000 0.542 133 L N 0.755 121.845 121.223 -0.221 0.000 3.604 133 L HA -0.329 4.010 4.340 -0.001 0.000 0.053 133 L C 0.240 177.068 176.870 -0.070 0.000 4.343 133 L CA 3.423 58.182 54.840 -0.135 0.000 0.628 133 L CB -1.240 40.622 42.059 -0.329 0.000 3.503 133 L HN 1.373 nan 8.230 nan 0.000 0.843 134 Q N -0.664 119.064 119.800 -0.121 0.000 2.907 134 Q HA 0.309 4.649 4.340 -0.001 0.000 0.310 134 Q C -0.978 174.943 176.000 -0.132 0.000 0.861 134 Q CA -0.232 55.499 55.803 -0.119 0.000 0.769 134 Q CB 0.285 28.977 28.738 -0.075 0.000 1.465 134 Q HN 0.587 nan 8.270 nan 0.000 0.449 135 N N 0.752 119.369 118.700 -0.139 0.000 2.971 135 N HA 0.082 4.821 4.740 -0.001 0.000 0.294 135 N C -1.141 174.321 175.510 -0.080 0.000 1.210 135 N CA 0.046 53.023 53.050 -0.122 0.000 1.157 135 N CB 0.358 38.763 38.487 -0.138 0.000 1.450 135 N HN 0.496 nan 8.380 nan 0.000 0.527 136 T N 2.662 117.175 114.554 -0.068 0.000 2.893 136 T HA 0.374 4.723 4.350 -0.001 0.000 0.324 136 T C 0.126 174.806 174.700 -0.033 0.000 1.082 136 T CA -0.466 61.606 62.100 -0.046 0.000 0.983 136 T CB 0.368 69.213 68.868 -0.039 0.000 1.005 136 T HN 0.232 nan 8.240 nan 0.000 0.475 137 I N 3.342 123.896 120.570 -0.027 0.000 2.498 137 I HA 0.520 4.689 4.170 -0.001 0.000 0.301 137 I C 0.958 177.071 176.117 -0.007 0.000 0.984 137 I CA -0.376 60.915 61.300 -0.014 0.000 1.204 137 I CB 1.716 39.707 38.000 -0.015 0.000 1.362 137 I HN 0.593 nan 8.210 nan 0.000 0.471 138 T N 0.701 115.259 114.554 0.006 0.000 2.908 138 T HA 0.798 5.147 4.350 -0.001 0.000 0.290 138 T C -0.392 174.324 174.700 0.026 0.000 1.034 138 T CA -0.795 61.314 62.100 0.014 0.000 1.010 138 T CB 1.727 70.609 68.868 0.024 0.000 1.068 138 T HN 0.535 nan 8.240 nan 0.000 0.481 139 S N -0.158 115.562 115.700 0.033 0.000 2.632 139 S HA 0.978 5.447 4.470 -0.001 0.000 0.289 139 S C -0.137 174.521 174.600 0.097 0.000 1.115 139 S CA 0.222 58.458 58.200 0.060 0.000 0.889 139 S CB 1.259 64.477 63.200 0.030 0.000 1.116 139 S HN 1.686 nan 8.310 nan 0.000 0.486 140 G N 0.928 109.827 108.800 0.165 0.000 2.356 140 G HA2 0.365 4.324 3.960 -0.001 0.000 0.281 140 G HA3 0.365 4.324 3.960 -0.001 0.000 0.281 140 G C -1.489 173.555 174.900 0.241 0.000 1.246 140 G CA -0.165 45.051 45.100 0.193 0.000 0.889 140 G HN 1.345 nan 8.290 nan 0.000 0.486 141 I N -1.912 118.737 120.570 0.132 0.000 2.910 141 I HA 0.837 5.007 4.170 -0.001 0.000 0.310 141 I C -0.437 175.693 176.117 0.022 0.000 1.043 141 I CA -1.433 59.887 61.300 0.033 0.000 1.053 141 I CB 2.183 40.130 38.000 -0.088 0.000 1.242 141 I HN 0.292 nan 8.210 nan 0.000 0.452 142 V N 3.751 123.659 119.914 -0.010 0.000 2.387 142 V HA 0.097 4.216 4.120 -0.001 0.000 0.260 142 V C 1.095 177.184 176.094 -0.009 0.000 1.054 142 V CA 0.210 62.511 62.300 0.002 0.000 0.967 142 V CB 0.417 32.234 31.823 -0.011 0.000 1.036 142 V HN 0.949 nan 8.190 nan 0.000 0.481 143 S N 2.762 118.471 115.700 0.015 0.000 2.428 143 S HA -0.052 4.418 4.470 -0.001 0.000 0.230 143 S C 1.134 175.740 174.600 0.009 0.000 1.014 143 S CA 0.701 58.908 58.200 0.012 0.000 0.957 143 S CB 0.010 63.230 63.200 0.034 0.000 0.784 143 S HN 0.875 nan 8.310 nan 0.000 0.499 144 S N 1.175 116.884 115.700 0.014 0.000 2.652 144 S HA 0.751 5.220 4.470 -0.001 0.000 0.270 144 S C -0.289 174.304 174.600 -0.012 0.000 1.243 144 S CA -0.786 57.416 58.200 0.004 0.000 0.999 144 S CB 1.258 64.459 63.200 0.001 0.000 0.973 144 S HN 0.328 nan 8.310 nan 0.000 0.544 145 A N 1.033 123.844 122.820 -0.015 0.000 2.304 145 A HA 0.654 4.973 4.320 -0.001 0.000 0.323 145 A C -0.543 177.027 177.584 -0.023 0.000 1.195 145 A CA -0.791 51.234 52.037 -0.020 0.000 0.826 145 A CB 0.608 19.598 19.000 -0.017 0.000 1.184 145 A HN 0.715 nan 8.150 nan 0.000 0.496 146 Q N 0.835 120.620 119.800 -0.025 0.000 2.235 146 Q HA 0.555 4.894 4.340 -0.001 0.000 0.250 146 Q C 0.080 176.065 176.000 -0.026 0.000 0.909 146 Q CA 0.052 55.838 55.803 -0.028 0.000 0.910 146 Q CB 0.835 29.556 28.738 -0.028 0.000 1.223 146 Q HN 0.676 nan 8.270 nan 0.000 0.432 147 R N 0.492 120.975 120.500 -0.028 0.000 3.422 147 R HA -0.167 4.172 4.340 -0.001 0.000 0.267 147 R C -1.781 174.507 176.300 -0.019 0.000 1.074 147 R CA -0.131 55.955 56.100 -0.024 0.000 0.718 147 R CB -2.053 28.235 30.300 -0.021 0.000 1.157 147 R HN 0.577 nan 8.270 nan 0.000 0.440 159 V N 2.124 121.971 119.914 -0.111 0.000 2.415 159 V HA 0.094 4.213 4.120 -0.001 0.000 0.252 159 V C -0.267 175.664 176.094 -0.271 0.000 1.043 159 V CA 0.640 62.796 62.300 -0.240 0.000 1.149 159 V CB -0.913 30.743 31.823 -0.277 0.000 1.143 159 V HN 0.291 nan 8.190 nan 0.000 0.478 160 E N 4.406 124.460 120.200 -0.243 0.000 2.042 160 E HA 0.258 4.608 4.350 -0.001 0.000 0.260 160 E C -0.637 175.818 176.600 -0.242 0.000 0.975 160 E CA -0.450 55.843 56.400 -0.180 0.000 0.799 160 E CB 0.658 30.294 29.700 -0.107 0.000 1.131 160 E HN 0.612 nan 8.360 nan 0.000 0.423 161 Y N 1.184 121.291 120.300 -0.322 0.000 2.607 161 Y HA -0.031 4.518 4.550 -0.001 0.000 0.348 161 Y C 1.048 176.751 175.900 -0.328 0.000 1.261 161 Y CA 0.294 58.152 58.100 -0.404 0.000 1.480 161 Y CB 0.400 38.332 38.460 -0.880 0.000 1.358 161 Y HN 0.369 nan 8.280 nan 0.000 0.630 162 I N 2.435 122.987 120.570 -0.031 0.000 2.315 162 I HA 0.171 4.340 4.170 -0.001 0.000 0.291 162 I C -0.489 175.653 176.117 0.042 0.000 1.006 162 I CA -0.464 60.830 61.300 -0.009 0.000 1.265 162 I CB 0.796 38.808 38.000 0.019 0.000 1.387 162 I HN 0.483 nan 8.210 nan 0.000 0.475 163 Q N 4.535 124.368 119.800 0.054 0.000 2.241 163 Q HA 0.508 4.848 4.340 -0.001 0.000 0.254 163 Q C -0.394 175.683 176.000 0.128 0.000 0.917 163 Q CA -0.442 55.471 55.803 0.183 0.000 0.919 163 Q CB 2.482 31.348 28.738 0.214 0.000 1.237 163 Q HN 0.570 nan 8.270 nan 0.000 0.434 164 T N -0.234 114.404 114.554 0.139 0.000 2.900 164 T HA 0.142 4.491 4.350 -0.001 0.000 0.303 164 T C -0.427 174.317 174.700 0.073 0.000 1.142 164 T CA -0.692 61.462 62.100 0.090 0.000 1.007 164 T CB 1.156 70.076 68.868 0.087 0.000 1.156 164 T HN 0.709 nan 8.240 nan 0.000 0.490 165 D N 1.613 122.048 120.400 0.058 0.000 2.340 165 D HA 0.195 4.834 4.640 -0.001 0.000 0.220 165 D C 0.758 177.087 176.300 0.050 0.000 1.039 165 D CA -0.226 53.801 54.000 0.045 0.000 0.866 165 D CB -0.211 40.613 40.800 0.040 0.000 0.913 165 D HN 0.583 nan 8.370 nan 0.000 0.523 166 A N 0.731 123.588 122.820 0.062 0.000 2.444 166 A HA 0.532 4.851 4.320 -0.001 0.000 0.273 166 A C 0.688 178.302 177.584 0.049 0.000 1.136 166 A CA -0.180 51.893 52.037 0.060 0.000 0.799 166 A CB 0.051 19.093 19.000 0.070 0.000 1.081 166 A HN 0.349 nan 8.150 nan 0.000 0.509 167 A N 3.382 126.225 122.820 0.039 0.000 2.520 167 A HA 0.480 4.799 4.320 -0.001 0.000 0.245 167 A C 0.051 177.662 177.584 0.044 0.000 1.072 167 A CA 0.330 52.387 52.037 0.034 0.000 0.761 167 A CB -0.245 18.772 19.000 0.028 0.000 1.004 167 A HN 0.771 nan 8.150 nan 0.000 0.499 168 I N 2.847 123.447 120.570 0.049 0.000 2.436 168 I HA 0.426 4.595 4.170 -0.001 0.000 0.289 168 I C -0.698 175.471 176.117 0.087 0.000 1.010 168 I CA -0.457 60.885 61.300 0.071 0.000 1.098 168 I CB 2.064 40.115 38.000 0.085 0.000 1.266 168 I HN 0.961 nan 8.210 nan 0.000 0.434 169 D N 4.430 124.896 120.400 0.110 0.000 2.921 169 D HA 0.089 4.728 4.640 -0.001 0.000 0.329 169 D C 0.491 176.918 176.300 0.211 0.000 1.293 169 D CA -0.662 53.434 54.000 0.159 0.000 0.964 169 D CB 0.176 41.060 40.800 0.140 0.000 1.435 169 D HN 0.300 nan 8.370 nan 0.000 0.548 170 F N 1.127 121.147 119.950 0.117 0.000 2.184 170 F HA 0.051 4.577 4.527 -0.001 0.000 0.301 170 F C 1.860 177.740 175.800 0.135 0.000 1.076 170 F CA 2.440 60.520 58.000 0.133 0.000 1.295 170 F CB -0.712 38.353 39.000 0.109 0.000 1.026 170 F HN 0.427 nan 8.300 nan 0.000 0.494 171 G N 0.162 108.802 108.800 -0.267 0.000 2.471 171 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.219 171 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.219 171 G C 0.908 175.723 174.900 -0.142 0.000 1.125 171 G CA 0.897 45.784 45.100 -0.355 0.000 0.775 171 G HN 0.582 nan 8.290 nan 0.000 0.548 172 N N -1.018 117.670 118.700 -0.020 0.000 2.036 172 N HA 0.305 5.044 4.740 -0.001 0.000 0.228 172 N C 0.503 176.073 175.510 0.100 0.000 1.368 172 N CA 0.165 53.239 53.050 0.041 0.000 0.846 172 N CB -0.191 38.319 38.487 0.039 0.000 1.145 172 N HN 0.196 nan 8.380 nan 0.000 0.502 173 A N 0.273 123.178 122.820 0.142 0.000 2.531 173 A HA 0.519 4.838 4.320 -0.001 0.000 0.236 173 A C 1.650 179.326 177.584 0.153 0.000 1.062 173 A CA 0.823 52.981 52.037 0.202 0.000 0.760 173 A CB -0.715 18.481 19.000 0.327 0.000 0.995 173 A HN 1.129 nan 8.150 nan 0.000 0.501 174 G N 1.306 110.195 108.800 0.149 0.000 2.284 174 G HA2 -0.052 3.907 3.960 -0.001 0.000 0.247 174 G HA3 -0.052 3.907 3.960 -0.001 0.000 0.247 174 G C 1.044 176.073 174.900 0.214 0.000 1.012 174 G CA 0.634 45.802 45.100 0.113 0.000 0.618 174 G HN 1.995 nan 8.290 nan 0.000 0.521 175 G N 0.899 109.820 108.800 0.202 0.000 2.616 175 G HA2 0.621 4.580 3.960 -0.001 0.000 0.268 175 G HA3 0.621 4.580 3.960 -0.001 0.000 0.268 175 G C -2.148 172.857 174.900 0.174 0.000 1.213 175 G CA -0.254 44.985 45.100 0.232 0.000 0.926 175 G HN 0.401 nan 8.290 nan 0.000 0.523 176 P HA 0.299 nan 4.420 nan 0.000 0.290 176 P C -1.073 176.128 177.300 -0.164 0.000 1.275 176 P CA -0.696 62.185 63.100 -0.365 0.000 0.841 176 P CB 2.105 33.197 31.700 -1.014 0.000 1.042 177 L N 4.127 125.277 121.223 -0.122 0.000 2.255 177 L HA 0.308 4.647 4.340 -0.001 0.000 0.289 177 L C -0.759 176.065 176.870 -0.075 0.000 1.046 177 L CA -0.448 54.366 54.840 -0.045 0.000 0.816 177 L CB 0.550 42.614 42.059 0.008 0.000 1.197 177 L HN 0.072 nan 8.230 nan 0.000 0.427 178 V N 5.052 124.933 119.914 -0.056 0.000 2.547 178 V HA 0.521 4.640 4.120 -0.001 0.000 0.299 178 V C 0.121 176.219 176.094 0.006 0.000 1.040 178 V CA -0.857 61.413 62.300 -0.049 0.000 0.913 178 V CB 1.626 33.416 31.823 -0.055 0.000 0.992 178 V HN 0.922 nan 8.190 nan 0.000 0.449 179 N N 3.723 122.428 118.700 0.009 0.000 2.476 179 N HA 0.316 5.055 4.740 -0.001 0.000 0.287 179 N C 0.654 176.197 175.510 0.055 0.000 1.262 179 N CA -0.692 52.382 53.050 0.039 0.000 0.980 179 N CB 0.404 38.904 38.487 0.021 0.000 1.163 179 N HN 0.445 nan 8.380 nan 0.000 0.592 180 L N -1.301 119.963 121.223 0.069 0.000 2.275 180 L HA -0.038 4.302 4.340 -0.001 0.000 0.215 180 L C 0.462 177.358 176.870 0.044 0.000 1.119 180 L CA 1.118 56.002 54.840 0.072 0.000 0.790 180 L CB -0.413 41.672 42.059 0.043 0.000 0.919 180 L HN 0.520 nan 8.230 nan 0.000 0.443 181 D N 0.086 120.500 120.400 0.024 0.000 2.340 181 D HA 0.098 4.737 4.640 -0.001 0.000 0.220 181 D C 1.531 177.839 176.300 0.013 0.000 1.039 181 D CA 0.821 54.831 54.000 0.015 0.000 0.866 181 D CB 0.506 41.310 40.800 0.007 0.000 0.913 181 D HN 0.330 nan 8.370 nan 0.000 0.523 182 G N 1.316 110.124 108.800 0.014 0.000 2.143 182 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.248 182 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.248 182 G C -0.027 174.864 174.900 -0.015 0.000 0.991 182 G CA -0.110 44.991 45.100 0.002 0.000 0.689 182 G HN 0.381 nan 8.290 nan 0.000 0.522 183 E N -0.407 119.783 120.200 -0.016 0.000 2.231 183 E HA 0.514 4.863 4.350 -0.001 0.000 0.277 183 E C 0.163 176.729 176.600 -0.056 0.000 0.999 183 E CA -0.961 55.424 56.400 -0.026 0.000 0.827 183 E CB 2.267 31.961 29.700 -0.011 0.000 1.101 183 E HN 0.075 nan 8.360 nan 0.000 0.393 184 V N 3.875 123.738 119.914 -0.085 0.000 2.427 184 V HA 0.000 4.119 4.120 -0.001 0.000 0.268 184 V C 0.684 176.737 176.094 -0.069 0.000 1.046 184 V CA 0.131 62.341 62.300 -0.149 0.000 0.970 184 V CB 0.058 31.715 31.823 -0.275 0.000 1.001 184 V HN 0.592 nan 8.190 nan 0.000 0.476 185 I N 1.845 122.381 120.570 -0.057 0.000 4.018 185 I HA 0.737 4.906 4.170 -0.001 0.000 0.337 185 I C 0.757 176.866 176.117 -0.012 0.000 1.327 185 I CA -0.013 61.273 61.300 -0.023 0.000 1.100 185 I CB 0.138 38.130 38.000 -0.014 0.000 1.025 185 I HN 0.539 nan 8.210 nan 0.000 0.396 186 G N -0.222 108.566 108.800 -0.020 0.000 2.547 186 G HA2 0.562 4.521 3.960 -0.001 0.000 0.291 186 G HA3 0.562 4.521 3.960 -0.001 0.000 0.291 186 G C -1.873 173.048 174.900 0.036 0.000 1.471 186 G CA -0.595 44.516 45.100 0.018 0.000 0.798 186 G HN -0.111 nan 8.290 nan 0.000 0.504 187 V N 2.001 121.980 119.914 0.108 0.000 2.328 187 V HA 0.298 4.417 4.120 -0.001 0.000 0.278 187 V C -0.307 175.888 176.094 0.168 0.000 1.021 187 V CA -1.430 60.979 62.300 0.182 0.000 0.838 187 V CB 1.082 33.041 31.823 0.226 0.000 0.999 187 V HN 0.624 nan 8.190 nan 0.000 0.447 188 N N 3.712 122.503 118.700 0.151 0.000 2.294 188 N HA 0.031 4.770 4.740 -0.001 0.000 0.263 188 N C 0.880 176.513 175.510 0.205 0.000 1.281 188 N CA 0.373 53.519 53.050 0.158 0.000 0.846 188 N CB 1.233 39.799 38.487 0.131 0.000 1.061 188 N HN 0.723 nan 8.380 nan 0.000 0.478 189 T N 0.721 115.412 114.554 0.228 0.000 3.182 189 T HA 0.228 4.577 4.350 -0.001 0.000 0.244 189 T C 0.693 175.521 174.700 0.212 0.000 0.981 189 T CA 0.297 62.560 62.100 0.273 0.000 1.182 189 T CB 0.278 69.340 68.868 0.323 0.000 1.043 189 T HN 0.693 nan 8.240 nan 0.000 0.424 190 M N -0.248 119.411 119.600 0.099 0.000 2.682 190 M HA 0.561 5.040 4.480 -0.001 0.000 0.272 190 M C -1.808 174.411 176.300 -0.135 0.000 1.232 190 M CA -1.069 54.200 55.300 -0.052 0.000 0.849 190 M CB 2.568 34.953 32.600 -0.359 0.000 1.695 190 M HN -0.208 nan 8.290 nan 0.000 0.481 191 K N 1.571 121.894 120.400 -0.127 0.000 2.264 191 K HA 0.473 4.792 4.320 -0.001 0.000 0.277 191 K C -0.212 176.226 176.600 -0.270 0.000 1.067 191 K CA -0.493 55.712 56.287 -0.137 0.000 0.900 191 K CB 1.360 33.852 32.500 -0.014 0.000 1.124 191 K HN 0.717 nan 8.250 nan 0.000 0.469 192 V N 2.983 122.630 119.914 -0.444 0.000 2.283 192 V HA -0.066 4.053 4.120 -0.001 0.000 0.243 192 V C 0.641 176.569 176.094 -0.276 0.000 1.039 192 V CA 1.337 63.332 62.300 -0.509 0.000 1.016 192 V CB -0.035 31.286 31.823 -0.838 0.000 0.650 192 V HN 0.918 nan 8.190 nan 0.000 0.449 193 T N -1.865 112.553 114.554 -0.228 0.000 2.711 193 T HA 0.617 4.966 4.350 -0.001 0.000 0.302 193 T C -0.659 173.983 174.700 -0.096 0.000 1.373 193 T CA -0.115 61.904 62.100 -0.135 0.000 1.000 193 T CB 1.406 70.189 68.868 -0.141 0.000 1.483 193 T HN 0.420 nan 8.240 nan 0.000 0.499 194 A N 0.240 123.024 122.820 -0.060 0.000 2.561 194 A HA 0.473 4.792 4.320 -0.001 0.000 0.251 194 A C 1.591 179.151 177.584 -0.039 0.000 1.062 194 A CA 0.982 52.996 52.037 -0.037 0.000 0.761 194 A CB -1.410 17.575 19.000 -0.024 0.000 0.986 194 A HN 2.069 nan 8.150 nan 0.000 0.510 195 G N 1.597 110.381 108.800 -0.028 0.000 2.217 195 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.246 195 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.246 195 G C 0.067 174.954 174.900 -0.022 0.000 0.990 195 G CA 0.321 45.411 45.100 -0.017 0.000 0.627 195 G HN 1.039 nan 8.290 nan 0.000 0.522 196 I N 1.693 122.227 120.570 -0.060 0.000 2.439 196 I HA 0.543 4.712 4.170 -0.001 0.000 0.283 196 I C -0.339 175.685 176.117 -0.155 0.000 1.023 196 I CA -0.560 60.689 61.300 -0.085 0.000 1.100 196 I CB 1.996 39.909 38.000 -0.146 0.000 1.238 196 I HN 0.029 nan 8.210 nan 0.000 0.445 197 S N 5.404 121.077 115.700 -0.045 0.000 2.536 197 S HA 0.664 5.133 4.470 -0.001 0.000 0.298 197 S C -0.710 174.009 174.600 0.197 0.000 1.083 197 S CA -0.507 57.675 58.200 -0.030 0.000 0.995 197 S CB 1.754 64.974 63.200 0.032 0.000 1.058 197 S HN 0.335 nan 8.310 nan 0.000 0.488 198 F N 1.192 121.102 119.950 -0.066 0.000 2.492 198 F HA 0.738 5.265 4.527 -0.001 0.000 0.327 198 F C 0.349 176.208 175.800 0.098 0.000 1.079 198 F CA -1.065 56.913 58.000 -0.036 0.000 0.967 198 F CB 1.808 40.618 39.000 -0.316 0.000 1.169 198 F HN 0.629 nan 8.300 nan 0.000 0.472 199 A N 3.628 126.664 122.820 0.360 0.000 2.455 199 A HA 0.596 4.915 4.320 -0.001 0.000 0.300 199 A C -1.048 176.662 177.584 0.210 0.000 1.040 199 A CA -0.715 51.478 52.037 0.260 0.000 0.697 199 A CB 1.285 20.377 19.000 0.154 0.000 1.265 199 A HN 0.523 nan 8.150 nan 0.000 0.407 200 I N 2.437 123.089 120.570 0.137 0.000 2.556 200 I HA 0.182 4.351 4.170 -0.001 0.000 0.284 200 I C -2.178 173.918 176.117 -0.035 0.000 1.114 200 I CA -1.730 59.544 61.300 -0.044 0.000 1.418 200 I CB 0.298 38.276 38.000 -0.038 0.000 1.394 200 I HN 0.312 nan 8.210 nan 0.000 0.552 201 P HA 0.037 nan 4.420 nan 0.000 0.268 201 P C 0.825 178.112 177.300 -0.021 0.000 1.205 201 P CA -0.005 63.063 63.100 -0.055 0.000 0.771 201 P CB 0.514 32.162 31.700 -0.086 0.000 0.858 202 S N 0.788 116.488 115.700 0.001 0.000 2.402 202 S HA -0.165 4.305 4.470 -0.001 0.000 0.229 202 S C 1.257 175.868 174.600 0.019 0.000 1.021 202 S CA 1.266 59.483 58.200 0.029 0.000 0.974 202 S CB -0.840 62.376 63.200 0.026 0.000 0.800 202 S HN 0.344 nan 8.310 nan 0.000 0.484 203 D N 1.569 121.967 120.400 -0.004 0.000 2.178 203 D HA -0.024 4.615 4.640 -0.001 0.000 0.202 203 D C 2.086 178.378 176.300 -0.014 0.000 0.974 203 D CA 0.878 54.873 54.000 -0.009 0.000 0.841 203 D CB -0.269 40.520 40.800 -0.019 0.000 0.953 203 D HN 0.332 nan 8.370 nan 0.000 0.478 204 R N 0.749 121.232 120.500 -0.028 0.000 2.062 204 R HA -0.041 4.298 4.340 -0.001 0.000 0.229 204 R C 2.087 178.388 176.300 0.002 0.000 1.128 204 R CA 0.677 56.754 56.100 -0.039 0.000 0.960 204 R CB -1.017 29.229 30.300 -0.090 0.000 0.855 204 R HN 0.164 nan 8.270 nan 0.000 0.432 205 L N 1.143 122.384 121.223 0.029 0.000 2.042 205 L HA -0.116 4.223 4.340 -0.001 0.000 0.210 205 L C 2.363 179.294 176.870 0.101 0.000 1.076 205 L CA 2.081 56.985 54.840 0.107 0.000 0.749 205 L CB -0.711 41.426 42.059 0.131 0.000 0.893 205 L HN 0.261 nan 8.230 nan 0.000 0.432 206 R N -0.400 120.129 120.500 0.049 0.000 2.103 206 R HA -0.221 4.119 4.340 -0.001 0.000 0.242 206 R C 2.153 178.438 176.300 -0.025 0.000 1.142 206 R CA 2.158 58.268 56.100 0.017 0.000 0.960 206 R CB -0.265 30.043 30.300 0.013 0.000 0.858 206 R HN 0.595 nan 8.270 nan 0.000 0.439 207 E N -0.437 119.745 120.200 -0.029 0.000 2.047 207 E HA -0.209 4.141 4.350 -0.001 0.000 0.191 207 E C 1.773 178.224 176.600 -0.247 0.000 0.987 207 E CA 1.308 57.658 56.400 -0.082 0.000 0.799 207 E CB -0.306 29.367 29.700 -0.045 0.000 0.752 207 E HN 0.293 nan 8.360 nan 0.000 0.449 208 F N 1.590 121.345 119.950 -0.325 0.000 2.126 208 F HA -0.191 4.335 4.527 -0.001 0.000 0.299 208 F C 1.741 177.283 175.800 -0.430 0.000 1.096 208 F CA 0.972 58.711 58.000 -0.434 0.000 1.255 208 F CB -0.209 38.668 39.000 -0.205 0.000 0.997 208 F HN -0.028 nan 8.300 nan 0.000 0.479 209 L N 1.152 122.150 121.223 -0.375 0.000 2.651 209 L HA -0.144 4.195 4.340 -0.001 0.000 0.236 209 L C 0.761 177.494 176.870 -0.229 0.000 1.173 209 L CA 0.714 55.345 54.840 -0.349 0.000 0.843 209 L CB -2.132 39.844 42.059 -0.138 0.000 0.964 209 L HN 0.263 nan 8.230 nan 0.000 0.454 227 R N 1.431 122.020 120.500 0.148 0.000 2.248 227 R HA 0.265 4.605 4.340 -0.001 0.000 0.328 227 R C -0.792 175.646 176.300 0.230 0.000 1.067 227 R CA -0.143 56.053 56.100 0.161 0.000 0.924 227 R CB 0.498 30.873 30.300 0.126 0.000 1.013 227 R HN -0.004 nan 8.270 nan 0.000 0.454 228 Y N 3.961 124.312 120.300 0.085 0.000 2.409 228 Y HA 0.279 4.828 4.550 -0.001 0.000 0.339 228 Y C 0.948 176.894 175.900 0.076 0.000 1.033 228 Y CA -0.670 57.486 58.100 0.094 0.000 1.094 228 Y CB 1.027 39.533 38.460 0.076 0.000 1.210 228 Y HN 0.550 nan 8.280 nan 0.000 0.456 229 I N 1.027 121.243 120.570 -0.591 0.000 4.624 229 I HA 0.497 4.666 4.170 -0.001 0.000 0.327 229 I C 0.857 176.562 176.117 -0.686 0.000 1.295 229 I CA 0.047 61.069 61.300 -0.463 0.000 1.267 229 I CB 0.695 38.544 38.000 -0.252 0.000 1.249 229 I HN 0.846 nan 8.210 nan 0.000 0.440 230 G N 3.451 111.531 108.800 -1.200 0.000 2.422 230 G HA2 -0.023 3.936 3.960 -0.001 0.000 0.290 230 G HA3 -0.023 3.936 3.960 -0.001 0.000 0.290 230 G C -0.299 174.493 174.900 -0.180 0.000 1.059 230 G CA 0.235 44.939 45.100 -0.661 0.000 1.242 230 G HN 1.155 nan 8.290 nan 0.000 0.520 231 V N -1.623 118.241 119.914 -0.085 0.000 3.242 231 V HA 0.864 4.983 4.120 -0.001 0.000 0.298 231 V C -0.011 176.122 176.094 0.064 0.000 1.352 231 V CA -1.631 60.661 62.300 -0.012 0.000 1.052 231 V CB 2.065 33.860 31.823 -0.047 0.000 1.101 231 V HN 0.454 nan 8.190 nan 0.000 0.446 232 M N 3.284 122.919 119.600 0.058 0.000 2.167 232 M HA 0.665 5.144 4.480 -0.001 0.000 0.333 232 M C -0.808 175.569 176.300 0.129 0.000 1.030 232 M CA -0.231 55.132 55.300 0.105 0.000 0.963 232 M CB 1.753 34.408 32.600 0.091 0.000 1.589 232 M HN 0.693 nan 8.290 nan 0.000 0.431 233 M N 3.453 123.145 119.600 0.153 0.000 2.662 233 M HA 0.668 5.147 4.480 -0.001 0.000 0.310 233 M C -1.373 175.014 176.300 0.145 0.000 1.204 233 M CA -1.084 54.296 55.300 0.134 0.000 0.891 233 M CB 2.739 35.412 32.600 0.122 0.000 1.732 233 M HN 0.512 nan 8.290 nan 0.000 0.467 234 L N 1.037 122.328 121.223 0.115 0.000 2.439 234 L HA 0.462 4.801 4.340 -0.001 0.000 0.270 234 L C -0.731 176.215 176.870 0.126 0.000 0.972 234 L CA 0.076 54.981 54.840 0.109 0.000 0.836 234 L CB 2.141 44.208 42.059 0.013 0.000 1.255 234 L HN 0.664 nan 8.230 nan 0.000 0.404 235 T N 6.031 120.683 114.554 0.163 0.000 2.867 235 T HA 0.255 4.604 4.350 -0.001 0.000 0.297 235 T C 0.451 175.230 174.700 0.131 0.000 0.989 235 T CA 0.282 62.468 62.100 0.143 0.000 1.159 235 T CB -0.090 68.870 68.868 0.154 0.000 0.928 235 T HN 0.439 nan 8.240 nan 0.000 0.538 236 L N 4.671 125.966 121.223 0.119 0.000 2.375 236 L HA 0.204 4.543 4.340 -0.001 0.000 0.276 236 L C 1.133 178.068 176.870 0.107 0.000 1.162 236 L CA -0.587 54.325 54.840 0.119 0.000 0.991 236 L CB -0.249 41.904 42.059 0.156 0.000 1.315 236 L HN 0.722 nan 8.230 nan 0.000 0.431 237 S N 1.982 117.739 115.700 0.095 0.000 2.632 237 S HA 0.364 4.833 4.470 -0.001 0.000 0.267 237 S C -1.805 172.832 174.600 0.063 0.000 1.276 237 S CA -1.252 56.997 58.200 0.081 0.000 0.998 237 S CB 1.167 64.414 63.200 0.078 0.000 0.953 237 S HN 0.223 nan 8.310 nan 0.000 0.547 238 P HA -0.201 nan 4.420 nan 0.000 0.215 238 P C 1.999 179.313 177.300 0.024 0.000 1.163 238 P CA 2.164 65.288 63.100 0.040 0.000 0.894 238 P CB -0.282 31.439 31.700 0.034 0.000 0.791 239 S N -0.532 115.184 115.700 0.026 0.000 2.359 239 S HA -0.219 4.250 4.470 -0.001 0.000 0.222 239 S C 2.002 176.603 174.600 0.003 0.000 1.038 239 S CA 1.595 59.806 58.200 0.018 0.000 1.051 239 S CB -1.852 61.368 63.200 0.033 0.000 0.944 239 S HN 0.039 nan 8.310 nan 0.000 0.433 240 I N 2.373 122.956 120.570 0.022 0.000 2.127 240 I HA -0.222 3.947 4.170 -0.001 0.000 0.241 240 I C 2.560 178.604 176.117 -0.122 0.000 1.075 240 I CA 1.680 62.969 61.300 -0.017 0.000 1.334 240 I CB -0.752 37.274 38.000 0.044 0.000 1.040 240 I HN 0.361 nan 8.210 nan 0.000 0.405 241 L N 0.233 121.403 121.223 -0.089 0.000 2.093 241 L HA 0.017 4.356 4.340 -0.001 0.000 0.208 241 L C 2.585 179.358 176.870 -0.162 0.000 1.085 241 L CA 1.846 56.590 54.840 -0.159 0.000 0.755 241 L CB -1.659 40.415 42.059 0.025 0.000 0.904 241 L HN 0.079 nan 8.230 nan 0.000 0.435 242 A N 1.389 124.164 122.820 -0.076 0.000 1.851 242 A HA -0.260 4.059 4.320 -0.001 0.000 0.216 242 A C 2.347 179.877 177.584 -0.090 0.000 1.195 242 A CA 2.136 54.139 52.037 -0.056 0.000 0.622 242 A CB -0.927 18.059 19.000 -0.025 0.000 0.831 242 A HN 0.761 nan 8.150 nan 0.000 0.444 243 E N -0.718 119.423 120.200 -0.099 0.000 2.216 243 E HA -0.093 4.256 4.350 -0.001 0.000 0.192 243 E C 1.814 178.313 176.600 -0.167 0.000 0.988 243 E CA 1.014 57.351 56.400 -0.104 0.000 0.834 243 E CB -0.333 29.321 29.700 -0.077 0.000 0.772 243 E HN 0.392 nan 8.360 nan 0.000 0.479 244 L N 2.131 123.192 121.223 -0.271 0.000 2.056 244 L HA -0.164 4.176 4.340 -0.001 0.000 0.207 244 L C 2.408 179.029 176.870 -0.415 0.000 1.078 244 L CA 2.069 56.662 54.840 -0.412 0.000 0.749 244 L CB -0.518 41.132 42.059 -0.682 0.000 0.901 244 L HN 0.277 nan 8.230 nan 0.000 0.433 245 Q N -1.369 118.199 119.800 -0.386 0.000 2.444 245 Q HA -0.105 4.234 4.340 -0.001 0.000 0.206 245 Q C 1.828 177.788 176.000 -0.066 0.000 0.948 245 Q CA 0.583 56.290 55.803 -0.159 0.000 0.946 245 Q CB -0.442 28.284 28.738 -0.019 0.000 1.027 245 Q HN 0.438 nan 8.270 nan 0.000 0.513 246 L N 0.713 121.882 121.223 -0.091 0.000 2.291 246 L HA 0.081 4.420 4.340 -0.001 0.000 0.214 246 L C 0.053 176.899 176.870 -0.039 0.000 1.120 246 L CA 1.107 55.916 54.840 -0.052 0.000 0.799 246 L CB 0.159 42.184 42.059 -0.056 0.000 0.925 246 L HN -0.012 nan 8.230 nan 0.000 0.446 247 R N 1.507 121.976 120.500 -0.052 0.000 2.346 247 R HA 0.404 4.743 4.340 -0.001 0.000 0.309 247 R C -0.885 175.414 176.300 -0.002 0.000 1.119 247 R CA -0.318 55.764 56.100 -0.030 0.000 1.112 247 R CB 0.069 30.343 30.300 -0.043 0.000 1.132 247 R HN 0.219 nan 8.270 nan 0.000 0.538 248 E N 1.426 121.633 120.200 0.011 0.000 7.535 248 E HA -0.160 4.189 4.350 -0.001 0.000 0.448 248 E C -2.130 174.506 176.600 0.060 0.000 0.360 248 E CA -0.126 56.292 56.400 0.030 0.000 0.661 248 E CB -0.073 29.645 29.700 0.030 0.000 0.961 248 E HN 0.333 nan 8.360 nan 0.000 0.270 249 P HA -0.091 nan 4.420 nan 0.000 0.239 249 P C 1.192 178.544 177.300 0.086 0.000 1.184 249 P CA 0.830 63.977 63.100 0.078 0.000 0.760 249 P CB 0.176 31.904 31.700 0.047 0.000 0.884 250 S N -1.034 114.713 115.700 0.078 0.000 2.441 250 S HA -0.186 4.283 4.470 -0.001 0.000 0.242 250 S C 0.553 175.201 174.600 0.080 0.000 1.018 250 S CA 0.548 58.784 58.200 0.060 0.000 0.988 250 S CB -0.880 62.355 63.200 0.057 0.000 0.778 250 S HN 0.105 nan 8.310 nan 0.000 0.498 251 F N 2.729 122.669 119.950 -0.017 0.000 2.411 251 F HA 0.489 5.015 4.527 -0.001 0.000 0.355 251 F C -2.362 173.427 175.800 -0.018 0.000 1.117 251 F CA -2.809 55.179 58.000 -0.019 0.000 1.139 251 F CB 0.603 39.590 39.000 -0.020 0.000 1.120 251 F HN -0.009 nan 8.300 nan 0.000 0.493 252 P HA -0.134 nan 4.420 nan 0.000 0.267 252 P C -0.466 176.803 177.300 -0.051 0.000 1.175 252 P CA 0.422 63.370 63.100 -0.254 0.000 0.763 252 P CB 0.453 31.916 31.700 -0.395 0.000 0.795 253 D N 1.988 122.388 120.400 -0.000 0.000 3.008 253 D HA 0.024 4.663 4.640 -0.001 0.000 0.242 253 D C 0.023 176.352 176.300 0.048 0.000 1.222 253 D CA -0.028 54.006 54.000 0.057 0.000 0.883 253 D CB -0.502 40.320 40.800 0.037 0.000 1.110 253 D HN -0.034 nan 8.370 nan 0.000 0.455 254 V N 1.002 120.941 119.914 0.043 0.000 3.264 254 V HA -0.040 4.079 4.120 -0.001 0.000 0.304 254 V C 1.150 177.311 176.094 0.112 0.000 1.086 254 V CA -0.177 62.146 62.300 0.039 0.000 1.090 254 V CB 1.295 33.092 31.823 -0.044 0.000 1.112 254 V HN 0.176 nan 8.190 nan 0.000 0.472 255 Q N 0.238 120.130 119.800 0.154 0.000 2.350 255 Q HA 0.240 4.579 4.340 -0.001 0.000 0.225 255 Q C 0.298 176.462 176.000 0.274 0.000 0.878 255 Q CA 0.347 56.267 55.803 0.195 0.000 0.935 255 Q CB 0.241 29.089 28.738 0.184 0.000 1.099 255 Q HN 0.975 nan 8.270 nan 0.000 0.527 256 H N -2.707 116.394 119.070 0.051 0.000 2.917 256 H HA 0.721 5.276 4.556 -0.001 0.000 0.269 256 H C 0.072 175.430 175.328 0.050 0.000 1.488 256 H CA -0.581 55.498 56.048 0.053 0.000 1.173 256 H CB 0.335 30.118 29.762 0.035 0.000 1.868 256 H HN 0.207 nan 8.280 nan 0.000 0.600 257 G N -0.890 107.834 108.800 -0.127 0.000 2.422 257 G HA2 0.223 4.182 3.960 -0.001 0.000 0.607 257 G HA3 0.223 4.182 3.960 -0.001 0.000 0.607 257 G C -1.837 173.051 174.900 -0.019 0.000 1.270 257 G CA -0.309 44.682 45.100 -0.182 0.000 0.992 257 G HN 0.838 nan 8.290 nan 0.000 0.499 258 V N 1.305 121.202 119.914 -0.030 0.000 2.531 258 V HA 0.626 4.745 4.120 -0.001 0.000 0.301 258 V C 0.248 176.352 176.094 0.016 0.000 1.034 258 V CA -0.945 61.368 62.300 0.022 0.000 0.865 258 V CB 1.612 33.447 31.823 0.019 0.000 0.995 258 V HN 0.929 nan 8.190 nan 0.000 0.424 259 L N 5.801 127.066 121.223 0.070 0.000 2.305 259 L HA 0.464 4.803 4.340 -0.001 0.000 0.281 259 L C -0.334 176.576 176.870 0.067 0.000 1.085 259 L CA -0.075 54.813 54.840 0.080 0.000 0.813 259 L CB 1.252 43.428 42.059 0.194 0.000 1.157 259 L HN 0.448 nan 8.230 nan 0.000 0.436 260 I N 6.005 126.595 120.570 0.033 0.000 2.347 260 I HA 0.023 4.192 4.170 -0.001 0.000 0.294 260 I C 1.473 177.633 176.117 0.071 0.000 1.090 260 I CA 0.098 61.416 61.300 0.030 0.000 1.314 260 I CB 0.230 38.218 38.000 -0.019 0.000 1.423 260 I HN 0.735 nan 8.210 nan 0.000 0.503 261 H N 7.399 126.461 119.070 -0.015 0.000 2.372 261 H HA 0.155 4.711 4.556 -0.001 0.000 0.301 261 H C 0.026 175.332 175.328 -0.037 0.000 1.065 261 H CA 0.889 56.920 56.048 -0.028 0.000 1.364 261 H CB 0.877 30.611 29.762 -0.046 0.000 1.406 261 H HN 0.474 nan 8.280 nan 0.000 0.521 262 K N 0.449 120.775 120.400 -0.123 0.000 2.551 262 K HA 0.389 4.708 4.320 -0.001 0.000 0.269 262 K C -1.667 174.896 176.600 -0.063 0.000 0.949 262 K CA -0.740 55.444 56.287 -0.171 0.000 0.849 262 K CB 3.540 35.891 32.500 -0.247 0.000 1.411 262 K HN -0.137 nan 8.250 nan 0.000 0.432 263 V N 3.312 123.200 119.914 -0.042 0.000 2.483 263 V HA 0.399 4.518 4.120 -0.001 0.000 0.297 263 V C -0.158 175.950 176.094 0.024 0.000 1.027 263 V CA -0.866 61.435 62.300 0.003 0.000 0.855 263 V CB 1.461 33.300 31.823 0.026 0.000 0.995 263 V HN 0.632 nan 8.190 nan 0.000 0.424 264 I N 5.005 125.596 120.570 0.035 0.000 2.529 264 I HA 0.147 4.316 4.170 -0.001 0.000 0.284 264 I C -0.068 176.034 176.117 -0.025 0.000 1.082 264 I CA -0.376 60.947 61.300 0.038 0.000 1.406 264 I CB 0.884 38.957 38.000 0.120 0.000 1.405 264 I HN 0.378 nan 8.210 nan 0.000 0.548 265 L N 5.287 126.427 121.223 -0.138 0.000 2.485 265 L HA 0.188 4.527 4.340 -0.001 0.000 0.275 265 L C 1.348 178.010 176.870 -0.348 0.000 1.207 265 L CA 1.024 55.588 54.840 -0.459 0.000 0.855 265 L CB 0.040 41.909 42.059 -0.317 0.000 1.114 265 L HN 0.914 nan 8.230 nan 0.000 0.485 266 G N 1.025 109.501 108.800 -0.540 0.000 2.168 266 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.263 266 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.263 266 G C 0.352 175.291 174.900 0.065 0.000 0.977 266 G CA 0.472 45.505 45.100 -0.112 0.000 0.659 266 G HN 0.925 nan 8.290 nan 0.000 0.533 267 S N -0.579 115.182 115.700 0.101 0.000 2.672 267 S HA 0.703 5.172 4.470 -0.001 0.000 0.276 267 S C -0.968 173.723 174.600 0.152 0.000 1.207 267 S CA -0.833 57.478 58.200 0.185 0.000 1.002 267 S CB 2.495 65.773 63.200 0.131 0.000 0.998 267 S HN -0.066 nan 8.310 nan 0.000 0.542 268 P HA -0.027 nan 4.420 nan 0.000 0.218 268 P C 1.393 178.712 177.300 0.031 0.000 1.148 268 P CA 1.788 64.926 63.100 0.064 0.000 0.822 268 P CB -0.154 31.569 31.700 0.038 0.000 0.784 269 A N -0.839 121.981 122.820 -0.001 0.000 1.897 269 A HA -0.212 4.107 4.320 -0.001 0.000 0.215 269 A C 2.327 179.928 177.584 0.027 0.000 1.181 269 A CA 1.396 53.424 52.037 -0.015 0.000 0.620 269 A CB -1.768 17.200 19.000 -0.054 0.000 0.821 269 A HN 0.239 nan 8.150 nan 0.000 0.443 270 H N -0.098 118.958 119.070 -0.022 0.000 2.389 270 H HA -0.052 4.503 4.556 -0.001 0.000 0.299 270 H C 2.093 177.421 175.328 -0.000 0.000 1.081 270 H CA 1.618 57.660 56.048 -0.010 0.000 1.345 270 H CB -0.179 29.587 29.762 0.006 0.000 1.393 270 H HN 0.444 nan 8.280 nan 0.000 0.520 271 R N 0.583 121.134 120.500 0.085 0.000 2.189 271 R HA 0.002 4.341 4.340 -0.001 0.000 0.218 271 R C 1.924 178.208 176.300 -0.028 0.000 1.074 271 R CA 0.875 56.995 56.100 0.032 0.000 0.991 271 R CB -0.123 30.242 30.300 0.109 0.000 0.883 271 R HN 0.367 nan 8.270 nan 0.000 0.457 272 A N -0.552 122.254 122.820 -0.024 0.000 2.081 272 A HA 0.217 4.537 4.320 -0.001 0.000 0.214 272 A C 1.446 179.002 177.584 -0.047 0.000 1.158 272 A CA 0.952 52.979 52.037 -0.017 0.000 0.724 272 A CB 0.122 19.119 19.000 -0.005 0.000 0.826 272 A HN 0.499 nan 8.150 nan 0.000 0.463 273 G N -1.876 106.867 108.800 -0.094 0.000 2.184 273 G HA2 -0.133 3.826 3.960 -0.001 0.000 0.206 273 G HA3 -0.133 3.826 3.960 -0.001 0.000 0.206 273 G C 0.048 174.896 174.900 -0.087 0.000 0.995 273 G CA 0.054 45.092 45.100 -0.103 0.000 0.651 273 G HN 0.706 nan 8.290 nan 0.000 0.511 274 L N 1.653 122.831 121.223 -0.074 0.000 2.453 274 L HA 0.676 5.015 4.340 -0.001 0.000 0.272 274 L C 0.748 177.583 176.870 -0.059 0.000 1.182 274 L CA 0.324 55.123 54.840 -0.067 0.000 0.858 274 L CB 0.301 42.323 42.059 -0.063 0.000 1.120 274 L HN 0.356 nan 8.230 nan 0.000 0.474 275 R N 4.108 124.573 120.500 -0.058 0.000 2.837 275 R HA 0.547 4.886 4.340 -0.001 0.000 0.271 275 R C -2.542 173.729 176.300 -0.048 0.000 0.993 275 R CA -2.041 54.030 56.100 -0.048 0.000 0.931 275 R CB 0.960 31.229 30.300 -0.051 0.000 1.206 275 R HN 0.391 nan 8.270 nan 0.000 0.474 276 P HA -0.007 nan 4.420 nan 0.000 0.266 276 P C 0.549 177.826 177.300 -0.039 0.000 1.195 276 P CA 1.095 64.166 63.100 -0.048 0.000 0.768 276 P CB 0.647 32.305 31.700 -0.071 0.000 0.838 277 G N 1.740 110.526 108.800 -0.023 0.000 2.317 277 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.227 277 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.227 277 G C -0.019 174.820 174.900 -0.102 0.000 1.042 277 G CA -0.220 44.857 45.100 -0.038 0.000 0.623 277 G HN 0.520 nan 8.290 nan 0.000 0.509 278 D N 0.545 120.890 120.400 -0.092 0.000 2.449 278 D HA 0.428 5.067 4.640 -0.001 0.000 0.236 278 D C 0.365 176.585 176.300 -0.133 0.000 1.149 278 D CA 0.482 54.412 54.000 -0.118 0.000 0.878 278 D CB 1.573 42.316 40.800 -0.095 0.000 1.198 278 D HN 0.354 nan 8.370 nan 0.000 0.446 279 V N 3.297 123.109 119.914 -0.171 0.000 2.443 279 V HA 0.245 4.364 4.120 -0.001 0.000 0.293 279 V C 0.408 176.410 176.094 -0.154 0.000 1.021 279 V CA -0.757 61.441 62.300 -0.172 0.000 0.848 279 V CB 1.294 32.958 31.823 -0.264 0.000 0.998 279 V HN 0.373 nan 8.190 nan 0.000 0.424 280 I N 5.694 126.190 120.570 -0.124 0.000 2.587 280 I HA 0.072 4.241 4.170 -0.001 0.000 0.284 280 I C 1.014 177.034 176.117 -0.162 0.000 1.134 280 I CA 0.376 61.602 61.300 -0.124 0.000 1.410 280 I CB 0.715 38.657 38.000 -0.097 0.000 1.392 280 I HN 0.617 nan 8.210 nan 0.000 0.545 281 L N 6.359 127.482 121.223 -0.167 0.000 2.357 281 L HA 0.415 4.754 4.340 -0.001 0.000 0.211 281 L C 0.807 177.632 176.870 -0.075 0.000 1.075 281 L CA 0.222 54.930 54.840 -0.221 0.000 0.830 281 L CB 0.010 41.968 42.059 -0.169 0.000 0.996 281 L HN 0.761 nan 8.230 nan 0.000 0.467 282 A N -0.139 122.650 122.820 -0.053 0.000 2.601 282 A HA 0.695 5.015 4.320 -0.001 0.000 0.291 282 A C -1.548 176.007 177.584 -0.049 0.000 1.075 282 A CA -0.403 51.626 52.037 -0.014 0.000 0.671 282 A CB 1.212 20.219 19.000 0.012 0.000 1.277 282 A HN 0.008 nan 8.150 nan 0.000 0.417 283 I N 1.990 122.538 120.570 -0.036 0.000 2.493 283 I HA 0.511 4.680 4.170 -0.001 0.000 0.279 283 I C 1.046 177.142 176.117 -0.035 0.000 1.045 283 I CA 0.494 61.762 61.300 -0.053 0.000 1.106 283 I CB 1.070 39.041 38.000 -0.048 0.000 1.216 283 I HN 1.470 nan 8.210 nan 0.000 0.459 284 G N 4.909 113.681 108.800 -0.047 0.000 3.879 284 G HA2 -0.368 3.591 3.960 -0.001 0.000 0.318 284 G HA3 -0.368 3.591 3.960 -0.001 0.000 0.318 284 G C 0.830 175.727 174.900 -0.006 0.000 1.344 284 G CA 0.971 46.059 45.100 -0.019 0.000 1.024 284 G HN 0.578 nan 8.290 nan 0.000 0.681 285 E N -0.447 119.755 120.200 0.003 0.000 2.038 285 E HA 0.125 4.474 4.350 -0.001 0.000 0.190 285 E C 0.975 177.581 176.600 0.009 0.000 0.967 285 E CA 0.668 57.072 56.400 0.008 0.000 0.816 285 E CB 0.006 29.712 29.700 0.011 0.000 0.784 285 E HN 0.476 nan 8.360 nan 0.000 0.456 286 Q N 0.183 119.990 119.800 0.012 0.000 2.240 286 Q HA 0.262 4.601 4.340 -0.001 0.000 0.260 286 Q C -0.001 176.019 176.000 0.034 0.000 1.018 286 Q CA -0.578 55.236 55.803 0.019 0.000 0.898 286 Q CB 1.248 29.996 28.738 0.018 0.000 1.301 286 Q HN 0.267 nan 8.270 nan 0.000 0.469 287 M N 1.014 120.648 119.600 0.057 0.000 2.232 287 M HA 0.149 4.628 4.480 -0.001 0.000 0.321 287 M C 0.206 176.578 176.300 0.120 0.000 1.101 287 M CA -0.268 55.110 55.300 0.130 0.000 1.181 287 M CB -0.071 32.641 32.600 0.186 0.000 1.432 287 M HN 0.416 nan 8.290 nan 0.000 0.457 288 V N 1.189 121.190 119.914 0.145 0.000 2.417 288 V HA 0.368 4.487 4.120 -0.001 0.000 0.291 288 V C 0.394 176.595 176.094 0.179 0.000 1.024 288 V CA -0.662 61.699 62.300 0.102 0.000 0.861 288 V CB 1.743 33.581 31.823 0.026 0.000 0.985 288 V HN 0.812 nan 8.190 nan 0.000 0.436 289 Q N 3.309 123.196 119.800 0.145 0.000 2.390 289 Q HA 0.200 4.539 4.340 -0.001 0.000 0.216 289 Q C 0.293 176.362 176.000 0.115 0.000 0.916 289 Q CA 1.177 57.073 55.803 0.156 0.000 0.911 289 Q CB 0.399 29.202 28.738 0.108 0.000 1.035 289 Q HN 1.061 nan 8.270 nan 0.000 0.541 290 N N -1.885 116.872 118.700 0.095 0.000 2.831 290 N HA 0.480 5.219 4.740 -0.001 0.000 0.276 290 N C 0.162 175.733 175.510 0.102 0.000 1.416 290 N CA 0.003 53.112 53.050 0.099 0.000 0.799 290 N CB 0.242 38.787 38.487 0.096 0.000 1.554 290 N HN -0.140 nan 8.380 nan 0.000 0.541 291 A N -0.454 122.448 122.820 0.137 0.000 2.015 291 A HA -0.099 4.220 4.320 -0.001 0.000 0.219 291 A C 1.558 179.289 177.584 0.245 0.000 1.163 291 A CA 1.168 53.317 52.037 0.187 0.000 0.646 291 A CB -0.896 18.258 19.000 0.256 0.000 0.806 291 A HN 0.777 nan 8.150 nan 0.000 0.448 292 E N 0.140 120.451 120.200 0.185 0.000 2.110 292 E HA -0.194 4.155 4.350 -0.001 0.000 0.193 292 E C 1.220 177.907 176.600 0.146 0.000 0.988 292 E CA 1.135 57.640 56.400 0.174 0.000 0.804 292 E CB -0.234 29.527 29.700 0.101 0.000 0.745 292 E HN 0.562 nan 8.360 nan 0.000 0.458 293 D N 0.496 120.955 120.400 0.098 0.000 2.123 293 D HA -0.139 4.501 4.640 -0.001 0.000 0.196 293 D C 2.136 178.455 176.300 0.032 0.000 0.992 293 D CA 0.948 54.985 54.000 0.061 0.000 0.833 293 D CB -0.096 40.734 40.800 0.050 0.000 0.954 293 D HN 0.053 nan 8.370 nan 0.000 0.455 294 V N 0.422 120.334 119.914 -0.003 0.000 2.261 294 V HA -0.256 3.864 4.120 -0.001 0.000 0.246 294 V C 2.120 178.111 176.094 -0.173 0.000 1.047 294 V CA 1.443 63.665 62.300 -0.130 0.000 1.015 294 V CB -0.869 30.800 31.823 -0.256 0.000 0.642 294 V HN 0.181 nan 8.190 nan 0.000 0.446 295 Y N -0.217 120.094 120.300 0.018 0.000 2.421 295 Y HA -0.103 4.446 4.550 -0.001 0.000 0.292 295 Y C 2.656 178.570 175.900 0.024 0.000 1.136 295 Y CA 1.146 59.258 58.100 0.020 0.000 1.255 295 Y CB -0.065 38.409 38.460 0.025 0.000 0.991 295 Y HN 0.186 nan 8.280 nan 0.000 0.552 296 E N -0.037 120.247 120.200 0.140 0.000 2.208 296 E HA -0.098 4.251 4.350 -0.001 0.000 0.193 296 E C 2.190 178.825 176.600 0.058 0.000 0.988 296 E CA 0.860 57.317 56.400 0.094 0.000 0.828 296 E CB -0.042 29.703 29.700 0.074 0.000 0.763 296 E HN 0.445 nan 8.360 nan 0.000 0.478 297 A N 0.157 122.995 122.820 0.030 0.000 1.935 297 A HA -0.032 4.287 4.320 -0.001 0.000 0.214 297 A C 2.439 180.029 177.584 0.010 0.000 1.178 297 A CA 0.698 52.741 52.037 0.010 0.000 0.640 297 A CB -0.275 18.716 19.000 -0.015 0.000 0.825 297 A HN 0.124 nan 8.150 nan 0.000 0.447 298 V N 0.097 120.009 119.914 -0.002 0.000 2.490 298 V HA -0.154 3.965 4.120 -0.001 0.000 0.250 298 V C 1.564 177.692 176.094 0.058 0.000 1.061 298 V CA 1.674 63.979 62.300 0.008 0.000 1.064 298 V CB -0.768 31.044 31.823 -0.018 0.000 0.670 298 V HN 0.486 nan 8.190 nan 0.000 0.461 299 R N -0.702 119.845 120.500 0.078 0.000 3.311 299 R HA 0.376 4.716 4.340 -0.001 0.000 0.332 299 R C 0.391 176.727 176.300 0.060 0.000 1.317 299 R CA 0.235 56.383 56.100 0.080 0.000 1.192 299 R CB 0.497 30.858 30.300 0.101 0.000 1.454 299 R HN 0.330 nan 8.270 nan 0.000 0.605 300 T N -1.529 113.053 114.554 0.047 0.000 3.310 300 T HA 0.021 4.370 4.350 -0.001 0.000 0.266 300 T C -0.220 174.499 174.700 0.033 0.000 0.842 300 T CA -0.095 62.028 62.100 0.039 0.000 0.815 300 T CB 0.647 69.537 68.868 0.037 0.000 1.247 300 T HN 0.171 nan 8.240 nan 0.000 0.697 301 Q N 1.004 120.823 119.800 0.032 0.000 2.365 301 Q HA 0.549 4.888 4.340 -0.001 0.000 0.269 301 Q C 0.804 176.823 176.000 0.033 0.000 1.061 301 Q CA -0.308 55.512 55.803 0.030 0.000 0.816 301 Q CB 2.147 30.900 28.738 0.026 0.000 1.325 301 Q HN 0.265 nan 8.270 nan 0.000 0.446 302 S N 1.455 117.176 115.700 0.034 0.000 2.406 302 S HA -0.120 4.349 4.470 -0.001 0.000 0.228 302 S C 0.520 175.143 174.600 0.039 0.000 1.020 302 S CA 0.593 58.814 58.200 0.035 0.000 0.965 302 S CB 0.223 63.441 63.200 0.031 0.000 0.798 302 S HN 0.640 nan 8.310 nan 0.000 0.488 303 Q N -0.223 119.604 119.800 0.045 0.000 2.389 303 Q HA 0.649 4.988 4.340 -0.001 0.000 0.277 303 Q C -2.099 173.940 176.000 0.065 0.000 1.082 303 Q CA -0.828 55.012 55.803 0.063 0.000 0.810 303 Q CB 1.686 30.473 28.738 0.081 0.000 1.374 303 Q HN 0.400 nan 8.270 nan 0.000 0.422 304 L N 1.936 123.193 121.223 0.058 0.000 2.356 304 L HA 0.712 5.051 4.340 -0.001 0.000 0.277 304 L C -0.531 176.324 176.870 -0.024 0.000 0.996 304 L CA -0.966 53.882 54.840 0.013 0.000 0.822 304 L CB 1.921 43.961 42.059 -0.033 0.000 1.256 304 L HN 0.729 nan 8.230 nan 0.000 0.413 305 A N 4.017 126.793 122.820 -0.074 0.000 2.650 305 A HA 0.509 4.828 4.320 -0.001 0.000 0.320 305 A C -0.131 177.294 177.584 -0.265 0.000 1.466 305 A CA -0.379 51.474 52.037 -0.307 0.000 1.099 305 A CB -0.097 18.787 19.000 -0.194 0.000 1.136 305 A HN 0.429 nan 8.150 nan 0.000 0.532 306 V N 3.687 123.434 119.914 -0.278 0.000 2.389 306 V HA 0.119 4.238 4.120 -0.001 0.000 0.264 306 V C 0.618 176.594 176.094 -0.197 0.000 1.049 306 V CA -0.141 62.042 62.300 -0.195 0.000 0.932 306 V CB 0.721 32.449 31.823 -0.158 0.000 1.011 306 V HN 0.899 nan 8.190 nan 0.000 0.475 307 Q N 5.955 125.663 119.800 -0.153 0.000 2.314 307 Q HA 0.542 4.881 4.340 -0.001 0.000 0.257 307 Q C -0.477 175.450 176.000 -0.120 0.000 0.975 307 Q CA -0.341 55.384 55.803 -0.130 0.000 0.933 307 Q CB 0.949 29.630 28.738 -0.095 0.000 1.195 307 Q HN 0.889 nan 8.270 nan 0.000 0.426 308 I N 0.336 120.833 120.570 -0.121 0.000 3.237 308 I HA 0.742 4.911 4.170 -0.001 0.000 0.308 308 I C -0.924 175.121 176.117 -0.120 0.000 1.093 308 I CA -1.478 59.748 61.300 -0.124 0.000 1.001 308 I CB 1.962 39.890 38.000 -0.119 0.000 1.245 308 I HN 0.411 nan 8.210 nan 0.000 0.485 309 R N 2.074 122.490 120.500 -0.140 0.000 2.435 309 R HA 0.423 4.762 4.340 -0.001 0.000 0.308 309 R C -1.167 175.041 176.300 -0.153 0.000 0.975 309 R CA -0.589 55.426 56.100 -0.141 0.000 0.867 309 R CB 1.044 31.244 30.300 -0.167 0.000 1.171 309 R HN 0.793 nan 8.270 nan 0.000 0.470 310 R N 3.689 124.117 120.500 -0.120 0.000 3.050 310 R HA 0.379 4.718 4.340 -0.001 0.000 0.275 310 R C 0.028 176.268 176.300 -0.100 0.000 1.373 310 R CA 0.650 56.683 56.100 -0.111 0.000 1.612 310 R CB 0.049 30.298 30.300 -0.086 0.000 1.218 310 R HN 0.973 nan 8.270 nan 0.000 0.621 311 G N 2.512 111.238 108.800 -0.123 0.000 2.866 311 G HA2 -0.377 3.582 3.960 -0.001 0.000 0.274 311 G HA3 -0.377 3.582 3.960 -0.001 0.000 0.274 311 G C 0.671 175.522 174.900 -0.081 0.000 1.413 311 G CA 0.163 45.206 45.100 -0.095 0.000 0.997 311 G HN 0.507 nan 8.290 nan 0.000 0.559 312 R N 0.431 120.897 120.500 -0.058 0.000 2.087 312 R HA 0.236 4.576 4.340 -0.001 0.000 0.216 312 R C 0.616 176.889 176.300 -0.046 0.000 1.114 312 R CA 0.452 56.525 56.100 -0.045 0.000 1.002 312 R CB -0.058 30.223 30.300 -0.031 0.000 0.903 312 R HN 0.431 nan 8.270 nan 0.000 0.445 313 E N 1.652 121.825 120.200 -0.046 0.000 2.354 313 E HA 0.113 4.462 4.350 -0.001 0.000 0.269 313 E C -0.649 175.918 176.600 -0.054 0.000 1.036 313 E CA 0.296 56.670 56.400 -0.043 0.000 0.876 313 E CB 1.607 31.285 29.700 -0.037 0.000 1.009 313 E HN 0.002 nan 8.360 nan 0.000 0.416 314 T N 3.737 118.262 114.554 -0.049 0.000 2.795 314 T HA 0.569 4.918 4.350 -0.001 0.000 0.282 314 T C 0.220 174.886 174.700 -0.056 0.000 0.980 314 T CA -0.472 61.593 62.100 -0.058 0.000 1.012 314 T CB 0.552 69.390 68.868 -0.050 0.000 0.936 314 T HN 0.202 nan 8.240 nan 0.000 0.457 315 L N 1.540 122.722 121.223 -0.069 0.000 2.277 315 L HA 0.713 5.053 4.340 -0.001 0.000 0.254 315 L C -0.175 176.635 176.870 -0.099 0.000 1.044 315 L CA -1.108 53.690 54.840 -0.069 0.000 0.842 315 L CB 2.415 44.436 42.059 -0.064 0.000 1.422 315 L HN 0.483 nan 8.230 nan 0.000 0.422 316 T N 2.222 116.707 114.554 -0.115 0.000 2.890 316 T HA 0.614 4.963 4.350 -0.001 0.000 0.295 316 T C -0.645 173.890 174.700 -0.274 0.000 0.993 316 T CA -0.384 61.587 62.100 -0.214 0.000 0.979 316 T CB 0.908 69.633 68.868 -0.238 0.000 0.967 316 T HN 0.231 nan 8.240 nan 0.000 0.441 317 L N 3.104 124.149 121.223 -0.296 0.000 2.334 317 L HA 0.613 4.953 4.340 -0.001 0.000 0.276 317 L C -1.032 175.637 176.870 -0.335 0.000 1.014 317 L CA -1.253 53.459 54.840 -0.212 0.000 0.815 317 L CB 1.310 43.304 42.059 -0.108 0.000 1.268 317 L HN 0.587 nan 8.230 nan 0.000 0.428 318 Y N 1.732 122.012 120.300 -0.032 0.000 2.328 318 Y HA 0.490 5.038 4.550 -0.002 0.000 0.337 318 Y C 0.179 176.062 175.900 -0.028 0.000 1.008 318 Y CA -0.953 57.131 58.100 -0.027 0.000 1.129 318 Y CB 1.790 40.238 38.460 -0.020 0.000 1.185 318 Y HN 0.290 nan 8.280 nan 0.000 0.476 319 V N 0.111 120.072 119.914 0.077 0.000 2.495 319 V HA 0.692 4.811 4.120 -0.001 0.000 0.298 319 V C -0.390 175.731 176.094 0.045 0.000 1.031 319 V CA -0.555 61.767 62.300 0.037 0.000 0.871 319 V CB 1.656 33.466 31.823 -0.022 0.000 0.988 319 V HN 0.735 nan 8.190 nan 0.000 0.432 320 T N 7.081 121.662 114.554 0.045 0.000 2.770 320 T HA 0.509 4.858 4.350 -0.001 0.000 0.297 320 T C -2.606 172.121 174.700 0.044 0.000 0.997 320 T CA -0.876 61.251 62.100 0.045 0.000 0.949 320 T CB 1.207 70.104 68.868 0.047 0.000 0.941 320 T HN 0.705 nan 8.240 nan 0.000 0.457 321 P HA 0.145 nan 4.420 nan 0.000 0.268 321 P C -0.216 177.137 177.300 0.088 0.000 1.205 321 P CA -0.367 62.766 63.100 0.055 0.000 0.771 321 P CB 0.642 32.370 31.700 0.048 0.000 0.858 322 E N 2.242 122.525 120.200 0.139 0.000 2.191 322 E HA 0.266 4.615 4.350 -0.001 0.000 0.278 322 E C -1.101 175.584 176.600 0.143 0.000 0.972 322 E CA -0.800 55.688 56.400 0.146 0.000 0.804 322 E CB 0.915 30.731 29.700 0.194 0.000 1.110 322 E HN 0.074 nan 8.360 nan 0.000 0.394 323 V N 4.210 124.180 119.914 0.095 0.000 2.389 323 V HA 0.178 4.297 4.120 -0.001 0.000 0.264 323 V C 0.490 176.620 176.094 0.059 0.000 1.049 323 V CA -0.131 62.216 62.300 0.078 0.000 0.932 323 V CB 0.880 32.736 31.823 0.056 0.000 1.011 323 V HN 0.696 nan 8.190 nan 0.000 0.475 324 T N 4.449 119.038 114.554 0.057 0.000 2.932 324 T HA 0.643 4.992 4.350 -0.001 0.000 0.289 324 T C -0.643 174.067 174.700 0.017 0.000 1.039 324 T CA -0.379 61.729 62.100 0.013 0.000 1.024 324 T CB 2.016 70.860 68.868 -0.039 0.000 1.090 324 T HN 0.881 nan 8.240 nan 0.000 0.496 325 E N 0.000 120.200 120.200 0.000 0.000 2.725 325 E HA 0.000 4.349 4.350 -0.001 0.000 0.291 325 E CA 0.000 56.404 56.400 0.007 0.000 0.976 325 E CB 0.000 29.705 29.700 0.008 0.000 0.812 325 E HN 0.000 nan 8.360 nan 0.000 0.440