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 2el9_1_D DATA FIRST_RESID 4 DATA SEQUENCE NIQAIRGMND YLPGETAIWQ RIEGTLKNVL GSYGYSEIRL PIVEQTPLFK DATA SEQUENCE RAIGEVTDVV EKEMYTFEDR NGDSLTLRPE GTAGCVRAGI EHGLLYNQEQ DATA SEQUENCE RLWYIGPMFR HERPQKGRYR QFHQLGCEVF GLQGPDIDAE LIMLTARWWR DATA SEQUENCE ALGISEHVTL ELNSIGSLEA RANYRDALVA FLEQXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX ALGDYLDEES REHFAGLCKL LESAGIAYTV DATA SEQUENCE NQRLVRGLDY YNRTVFEWVT NSLGSQGTVC AGGRYDGLVE QLGGRATPAV DATA SEQUENCE GFAMGLERLV LLVQAVNPEF KADPVVDIYL VASGADTQSA AMALAERLRD DATA SEQUENCE ELPGVKLMTN HGGGNFKKQF ARADKWGARV AVVLGESEVA NGTAVVKDLR DATA SEQUENCE SGEQTAVAQD SVAAHLRTLL G VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 N HA 0.000 nan 4.740 nan 0.000 0.220 4 N C 0.000 175.511 175.510 0.002 0.000 1.280 4 N CA 0.000 53.051 53.050 0.002 0.000 0.885 4 N CB 0.000 38.488 38.487 0.002 0.000 1.341 5 I N 0.493 121.064 120.570 0.001 0.000 3.045 5 I HA 0.075 4.245 4.170 -0.000 0.000 0.288 5 I C 0.850 176.968 176.117 0.001 0.000 1.238 5 I CA 0.707 62.008 61.300 0.001 0.000 1.396 5 I CB 0.068 38.068 38.000 -0.001 0.000 1.355 5 I HN 0.468 nan 8.210 nan 0.000 0.601 6 Q N 1.867 121.667 119.800 0.001 0.000 2.615 6 Q HA 0.740 5.080 4.340 -0.000 0.000 0.298 6 Q C -1.094 174.906 176.000 0.000 0.000 1.023 6 Q CA -1.297 54.506 55.803 0.000 0.000 0.768 6 Q CB 1.900 30.640 28.738 0.003 0.000 1.500 6 Q HN 0.735 nan 8.270 nan 0.000 0.441 7 A N 1.055 123.873 122.820 -0.003 0.000 2.401 7 A HA 0.356 4.676 4.320 -0.000 0.000 0.259 7 A C 0.026 177.615 177.584 0.009 0.000 1.103 7 A CA -0.278 51.757 52.037 -0.003 0.000 0.789 7 A CB -0.235 18.755 19.000 -0.017 0.000 1.035 7 A HN 0.595 nan 8.150 nan 0.000 0.491 8 I N 2.193 122.772 120.570 0.015 0.000 2.752 8 I HA -0.031 4.139 4.170 -0.000 0.000 0.289 8 I C 1.371 177.510 176.117 0.038 0.000 1.197 8 I CA 0.271 61.590 61.300 0.031 0.000 1.432 8 I CB 0.238 38.261 38.000 0.037 0.000 1.359 8 I HN 0.781 nan 8.210 nan 0.000 0.571 9 R N 4.726 125.250 120.500 0.040 0.000 2.697 9 R HA 0.067 4.407 4.340 -0.000 0.000 0.265 9 R C 1.165 177.501 176.300 0.060 0.000 1.009 9 R CA 1.140 57.265 56.100 0.042 0.000 1.099 9 R CB 0.200 30.519 30.300 0.030 0.000 0.965 9 R HN 0.961 nan 8.270 nan 0.000 0.428 10 G N 2.909 111.761 108.800 0.087 0.000 2.184 10 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.264 10 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.264 10 G C -0.009 174.996 174.900 0.175 0.000 0.975 10 G CA 0.564 45.753 45.100 0.148 0.000 0.642 10 G HN 0.513 nan 8.290 nan 0.000 0.536 11 M N 1.071 120.730 119.600 0.099 0.000 2.085 11 M HA 0.308 4.788 4.480 -0.000 0.000 0.309 11 M C -0.115 176.175 176.300 -0.016 0.000 0.947 11 M CA -0.399 54.932 55.300 0.053 0.000 0.918 11 M CB 1.340 33.967 32.600 0.044 0.000 1.504 11 M HN 0.237 nan 8.290 nan 0.000 0.420 12 N N 1.413 120.058 118.700 -0.092 0.000 2.463 12 N HA 0.359 5.099 4.740 -0.000 0.000 0.270 12 N C -1.225 174.075 175.510 -0.350 0.000 1.205 12 N CA -0.724 52.156 53.050 -0.283 0.000 0.974 12 N CB 1.161 39.321 38.487 -0.544 0.000 1.197 12 N HN 0.492 nan 8.380 nan 0.000 0.504 13 D N 0.468 120.595 120.400 -0.454 0.000 2.362 13 D HA 0.211 4.851 4.640 -0.000 0.000 0.247 13 D C -1.146 174.810 176.300 -0.573 0.000 1.050 13 D CA -0.163 53.629 54.000 -0.348 0.000 0.839 13 D CB 1.427 42.117 40.800 -0.183 0.000 1.283 13 D HN 0.397 nan 8.370 nan 0.000 0.477 14 Y N 1.504 121.690 120.300 -0.191 0.000 2.402 14 Y HA 0.296 4.846 4.550 -0.000 0.000 0.332 14 Y C 0.604 176.422 175.900 -0.138 0.000 0.960 14 Y CA -0.603 57.360 58.100 -0.229 0.000 1.228 14 Y CB 0.920 39.102 38.460 -0.463 0.000 1.120 14 Y HN 0.095 nan 8.280 nan 0.000 0.491 15 L N 5.169 126.399 121.223 0.012 0.000 2.475 15 L HA 0.243 4.583 4.340 -0.000 0.000 0.253 15 L C -1.264 175.637 176.870 0.052 0.000 1.198 15 L CA -1.787 53.067 54.840 0.023 0.000 0.814 15 L CB 0.318 42.389 42.059 0.019 0.000 1.134 15 L HN 0.349 nan 8.230 nan 0.000 0.478 16 P HA -0.245 nan 4.420 nan 0.000 0.207 16 P C 1.438 178.784 177.300 0.075 0.000 1.115 16 P CA 1.904 65.036 63.100 0.054 0.000 0.956 16 P CB -0.069 31.669 31.700 0.063 0.000 0.774 17 G N -0.359 108.494 108.800 0.089 0.000 2.606 17 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.221 17 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.221 17 G C 1.629 176.602 174.900 0.121 0.000 1.152 17 G CA 1.225 46.384 45.100 0.098 0.000 0.765 17 G HN 0.276 nan 8.290 nan 0.000 0.595 18 E N -0.424 119.863 120.200 0.144 0.000 2.107 18 E HA -0.077 4.273 4.350 -0.000 0.000 0.191 18 E C 2.705 179.468 176.600 0.272 0.000 0.982 18 E CA 1.056 57.593 56.400 0.227 0.000 0.809 18 E CB -0.550 29.309 29.700 0.264 0.000 0.756 18 E HN 0.362 nan 8.360 nan 0.000 0.459 19 T N 0.257 114.902 114.554 0.151 0.000 2.849 19 T HA -0.118 4.231 4.350 -0.000 0.000 0.270 19 T C 1.631 176.416 174.700 0.142 0.000 1.066 19 T CA 1.273 63.426 62.100 0.088 0.000 1.130 19 T CB -0.025 68.856 68.868 0.022 0.000 0.864 19 T HN 0.234 nan 8.240 nan 0.000 0.481 20 A N 0.138 123.036 122.820 0.129 0.000 2.016 20 A HA 0.145 4.465 4.320 -0.000 0.000 0.217 20 A C 2.001 179.662 177.584 0.128 0.000 1.162 20 A CA 0.784 52.882 52.037 0.101 0.000 0.662 20 A CB -0.354 18.686 19.000 0.067 0.000 0.812 20 A HN 0.518 nan 8.150 nan 0.000 0.450 21 I N -2.345 118.332 120.570 0.179 0.000 2.286 21 I HA -0.167 4.002 4.170 -0.000 0.000 0.245 21 I C 2.120 178.321 176.117 0.141 0.000 1.104 21 I CA 0.837 62.246 61.300 0.181 0.000 1.397 21 I CB -0.513 37.596 38.000 0.182 0.000 1.072 21 I HN 0.480 nan 8.210 nan 0.000 0.417 22 W N 1.268 122.556 121.300 -0.019 0.000 2.335 22 W HA -0.200 4.460 4.660 -0.000 0.000 0.311 22 W C 2.766 179.250 176.519 -0.059 0.000 1.213 22 W CA 1.461 58.752 57.345 -0.090 0.000 1.274 22 W CB -0.820 28.524 29.460 -0.194 0.000 1.148 22 W HN 0.152 nan 8.180 nan 0.000 0.498 23 Q N -0.405 119.505 119.800 0.184 0.000 2.152 23 Q HA -0.251 4.089 4.340 -0.000 0.000 0.206 23 Q C 2.270 178.309 176.000 0.064 0.000 0.985 23 Q CA 1.721 57.584 55.803 0.101 0.000 0.863 23 Q CB -0.487 28.296 28.738 0.074 0.000 0.904 23 Q HN 0.326 nan 8.270 nan 0.000 0.422 24 R N 0.627 121.174 120.500 0.078 0.000 2.073 24 R HA -0.078 4.262 4.340 -0.000 0.000 0.229 24 R C 2.180 178.537 176.300 0.095 0.000 1.120 24 R CA 0.966 57.113 56.100 0.077 0.000 0.967 24 R CB -0.085 30.258 30.300 0.072 0.000 0.862 24 R HN 0.257 nan 8.270 nan 0.000 0.436 25 I N 0.727 121.339 120.570 0.070 0.000 2.226 25 I HA -0.257 3.913 4.170 -0.000 0.000 0.245 25 I C 2.006 178.028 176.117 -0.157 0.000 1.100 25 I CA 1.510 62.756 61.300 -0.089 0.000 1.374 25 I CB -0.292 37.526 38.000 -0.302 0.000 1.057 25 I HN 0.292 nan 8.210 nan 0.000 0.413 26 E N 0.772 120.904 120.200 -0.114 0.000 2.077 26 E HA -0.165 4.185 4.350 -0.000 0.000 0.193 26 E C 2.290 178.836 176.600 -0.090 0.000 0.989 26 E CA 1.169 57.505 56.400 -0.108 0.000 0.800 26 E CB -0.335 29.363 29.700 -0.002 0.000 0.746 26 E HN 0.587 nan 8.360 nan 0.000 0.452 27 G N 0.487 109.267 108.800 -0.033 0.000 2.446 27 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.217 27 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.217 27 G C 1.648 176.527 174.900 -0.035 0.000 1.168 27 G CA 1.403 46.493 45.100 -0.016 0.000 0.771 27 G HN 0.202 nan 8.290 nan 0.000 0.551 28 T N 1.077 115.606 114.554 -0.042 0.000 2.867 28 T HA 0.034 4.384 4.350 -0.000 0.000 0.268 28 T C 2.420 177.075 174.700 -0.076 0.000 1.057 28 T CA 0.681 62.761 62.100 -0.033 0.000 1.136 28 T CB -0.122 68.743 68.868 -0.004 0.000 0.874 28 T HN 0.150 nan 8.240 nan 0.000 0.466 29 L N 0.296 121.383 121.223 -0.227 0.000 2.027 29 L HA -0.057 4.283 4.340 -0.000 0.000 0.206 29 L C 2.653 179.461 176.870 -0.103 0.000 1.074 29 L CA 1.389 55.994 54.840 -0.392 0.000 0.745 29 L CB -0.380 41.250 42.059 -0.715 0.000 0.898 29 L HN 0.178 nan 8.230 nan 0.000 0.433 30 K N -0.173 120.098 120.400 -0.215 0.000 2.057 30 K HA -0.141 4.179 4.320 -0.000 0.000 0.207 30 K C 1.954 178.487 176.600 -0.111 0.000 1.049 30 K CA 1.212 57.323 56.287 -0.294 0.000 0.931 30 K CB -0.207 32.185 32.500 -0.179 0.000 0.714 30 K HN 0.318 nan 8.250 nan 0.000 0.440 31 N N 0.608 119.292 118.700 -0.027 0.000 2.036 31 N HA -0.175 4.564 4.740 -0.000 0.000 0.195 31 N C 1.850 177.386 175.510 0.044 0.000 1.037 31 N CA 1.522 54.584 53.050 0.020 0.000 0.855 31 N CB -0.098 38.404 38.487 0.025 0.000 1.033 31 N HN -0.048 nan 8.380 nan 0.000 0.423 32 V N 2.091 122.060 119.914 0.091 0.000 2.392 32 V HA -0.206 3.914 4.120 -0.000 0.000 0.249 32 V C 2.408 178.548 176.094 0.077 0.000 1.059 32 V CA 1.218 63.590 62.300 0.121 0.000 1.051 32 V CB -0.435 31.526 31.823 0.230 0.000 0.658 32 V HN 0.294 nan 8.190 nan 0.000 0.455 33 L N 0.269 121.479 121.223 -0.022 0.000 2.083 33 L HA -0.105 4.234 4.340 -0.000 0.000 0.209 33 L C 2.534 179.430 176.870 0.042 0.000 1.083 33 L CA 1.755 56.486 54.840 -0.181 0.000 0.752 33 L CB -0.905 40.824 42.059 -0.550 0.000 0.899 33 L HN 0.478 nan 8.230 nan 0.000 0.433 34 G N -1.077 107.772 108.800 0.082 0.000 2.464 34 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.217 34 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.217 34 G C 1.707 176.682 174.900 0.126 0.000 1.138 34 G CA 0.752 45.946 45.100 0.157 0.000 0.793 34 G HN 0.487 nan 8.290 nan 0.000 0.539 35 S N -0.802 114.945 115.700 0.078 0.000 2.515 35 S HA 0.031 4.501 4.470 -0.000 0.000 0.231 35 S C 1.716 176.242 174.600 -0.124 0.000 0.987 35 S CA 0.433 58.616 58.200 -0.029 0.000 0.936 35 S CB -0.415 62.736 63.200 -0.081 0.000 0.766 35 S HN 0.402 nan 8.310 nan 0.000 0.528 36 Y N 1.221 121.530 120.300 0.015 0.000 2.449 36 Y HA 0.411 4.961 4.550 -0.000 0.000 0.254 36 Y C 1.861 177.940 175.900 0.298 0.000 1.140 36 Y CA -0.129 58.027 58.100 0.093 0.000 1.272 36 Y CB 0.324 38.725 38.460 -0.098 0.000 1.114 36 Y HN 0.397 nan 8.280 nan 0.000 0.525 37 G N -0.592 108.426 108.800 0.362 0.000 2.136 37 G HA2 -0.317 3.642 3.960 -0.000 0.000 0.242 37 G HA3 -0.317 3.642 3.960 -0.000 0.000 0.242 37 G C -0.300 174.810 174.900 0.351 0.000 0.989 37 G CA -0.292 44.982 45.100 0.290 0.000 0.682 37 G HN 0.205 nan 8.290 nan 0.000 0.522 38 Y N 1.105 121.536 120.300 0.218 0.000 2.326 38 Y HA 0.583 5.133 4.550 -0.000 0.000 0.333 38 Y C 1.102 177.215 175.900 0.354 0.000 1.240 38 Y CA -0.447 57.820 58.100 0.279 0.000 1.365 38 Y CB 1.319 39.980 38.460 0.336 0.000 1.289 38 Y HN 0.115 nan 8.280 nan 0.000 0.548 39 S N 1.234 117.124 115.700 0.318 0.000 2.549 39 S HA 0.244 4.714 4.470 -0.000 0.000 0.297 39 S C -0.515 173.957 174.600 -0.214 0.000 1.115 39 S CA -1.050 57.234 58.200 0.140 0.000 1.059 39 S CB 1.246 64.471 63.200 0.041 0.000 1.046 39 S HN 0.619 nan 8.310 nan 0.000 0.506 40 E N 1.857 121.761 120.200 -0.492 0.000 2.366 40 E HA 0.493 4.843 4.350 -0.000 0.000 0.266 40 E C -0.999 175.319 176.600 -0.470 0.000 1.051 40 E CA -0.276 55.472 56.400 -1.087 0.000 0.884 40 E CB 0.655 29.680 29.700 -1.124 0.000 1.006 40 E HN 0.573 nan 8.360 nan 0.000 0.417 41 I N 2.577 122.924 120.570 -0.373 0.000 2.769 41 I HA 0.452 4.622 4.170 -0.000 0.000 0.298 41 I C -1.325 174.736 176.117 -0.093 0.000 1.128 41 I CA -0.920 60.292 61.300 -0.146 0.000 1.031 41 I CB 1.571 39.553 38.000 -0.029 0.000 1.235 41 I HN 0.568 nan 8.210 nan 0.000 0.423 42 R N 7.011 127.471 120.500 -0.067 0.000 2.513 42 R HA 0.677 5.017 4.340 -0.000 0.000 0.301 42 R C -1.561 174.721 176.300 -0.029 0.000 0.968 42 R CA -0.692 55.388 56.100 -0.034 0.000 0.872 42 R CB 2.085 32.365 30.300 -0.033 0.000 1.177 42 R HN 0.503 nan 8.270 nan 0.000 0.444 43 L N 2.545 123.750 121.223 -0.030 0.000 2.303 43 L HA 0.632 4.972 4.340 -0.000 0.000 0.266 43 L C -2.072 174.797 176.870 -0.002 0.000 1.011 43 L CA -2.438 52.385 54.840 -0.028 0.000 0.818 43 L CB 1.321 43.338 42.059 -0.069 0.000 1.326 43 L HN 0.294 nan 8.230 nan 0.000 0.435 44 P HA 0.136 nan 4.420 nan 0.000 0.269 44 P C 0.570 177.908 177.300 0.063 0.000 1.209 44 P CA -0.416 62.706 63.100 0.037 0.000 0.776 44 P CB 0.668 32.388 31.700 0.034 0.000 0.876 45 I N 0.684 121.300 120.570 0.076 0.000 2.439 45 I HA -0.047 4.123 4.170 -0.000 0.000 0.251 45 I C 0.928 177.112 176.117 0.111 0.000 1.139 45 I CA 1.218 62.585 61.300 0.111 0.000 1.438 45 I CB -0.817 37.243 38.000 0.099 0.000 1.085 45 I HN 0.097 nan 8.210 nan 0.000 0.427 46 V N -0.275 119.695 119.914 0.093 0.000 2.547 46 V HA 0.606 4.726 4.120 -0.000 0.000 0.299 46 V C -0.097 176.060 176.094 0.104 0.000 1.040 46 V CA -0.676 61.690 62.300 0.110 0.000 0.913 46 V CB 2.427 34.309 31.823 0.099 0.000 0.992 46 V HN 0.085 nan 8.190 nan 0.000 0.449 47 E N 1.307 121.590 120.200 0.138 0.000 2.459 47 E HA 0.421 4.771 4.350 -0.000 0.000 0.275 47 E C -1.271 175.302 176.600 -0.045 0.000 0.987 47 E CA -1.019 55.381 56.400 0.000 0.000 0.828 47 E CB 2.312 31.916 29.700 -0.161 0.000 1.428 47 E HN 0.796 nan 8.360 nan 0.000 0.457 48 Q N 0.144 119.854 119.800 -0.150 0.000 2.327 48 Q HA 0.154 4.494 4.340 -0.000 0.000 0.254 48 Q C 0.834 176.755 176.000 -0.132 0.000 0.952 48 Q CA 0.344 56.066 55.803 -0.134 0.000 0.884 48 Q CB 0.843 29.499 28.738 -0.137 0.000 1.224 48 Q HN 0.457 nan 8.270 nan 0.000 0.422 49 T N 3.686 118.211 114.554 -0.048 0.000 2.684 49 T HA -0.121 4.229 4.350 -0.000 0.000 0.267 49 T C -1.149 173.556 174.700 0.009 0.000 1.036 49 T CA 1.393 63.522 62.100 0.049 0.000 1.148 49 T CB -0.894 67.986 68.868 0.021 0.000 0.863 49 T HN 0.639 nan 8.240 nan 0.000 0.436 50 P HA -0.068 nan 4.420 nan 0.000 0.218 50 P C 1.703 178.946 177.300 -0.096 0.000 1.146 50 P CA 0.738 63.807 63.100 -0.051 0.000 0.813 50 P CB -0.202 31.464 31.700 -0.056 0.000 0.778 51 L N -0.751 120.334 121.223 -0.229 0.000 2.012 51 L HA -0.129 4.211 4.340 -0.000 0.000 0.210 51 L C 2.263 178.970 176.870 -0.272 0.000 1.073 51 L CA 2.002 56.641 54.840 -0.336 0.000 0.748 51 L CB -1.521 40.185 42.059 -0.589 0.000 0.891 51 L HN -0.217 nan 8.230 nan 0.000 0.431 52 F N -0.107 119.852 119.950 0.014 0.000 2.206 52 F HA -0.029 4.498 4.527 -0.000 0.000 0.298 52 F C 2.418 178.237 175.800 0.032 0.000 1.090 52 F CA 1.051 59.072 58.000 0.035 0.000 1.323 52 F CB -0.826 38.198 39.000 0.040 0.000 1.028 52 F HN 0.019 nan 8.300 nan 0.000 0.492 53 K N -0.064 120.446 120.400 0.183 0.000 2.097 53 K HA -0.125 4.195 4.320 -0.000 0.000 0.206 53 K C 2.345 178.992 176.600 0.078 0.000 1.049 53 K CA 1.033 57.385 56.287 0.109 0.000 0.933 53 K CB -0.058 32.480 32.500 0.065 0.000 0.717 53 K HN 0.125 nan 8.250 nan 0.000 0.442 54 R N 0.015 120.546 120.500 0.052 0.000 2.055 54 R HA -0.041 4.299 4.340 -0.000 0.000 0.228 54 R C 2.385 178.724 176.300 0.066 0.000 1.143 54 R CA 1.337 57.459 56.100 0.036 0.000 0.945 54 R CB -0.418 29.880 30.300 -0.002 0.000 0.841 54 R HN 0.160 nan 8.270 nan 0.000 0.429 55 A N 1.157 124.026 122.820 0.082 0.000 1.858 55 A HA -0.125 4.195 4.320 -0.000 0.000 0.216 55 A C 2.192 179.922 177.584 0.243 0.000 1.190 55 A CA 1.322 53.446 52.037 0.146 0.000 0.617 55 A CB -0.504 18.570 19.000 0.124 0.000 0.827 55 A HN 0.214 nan 8.150 nan 0.000 0.443 56 I N -1.204 119.491 120.570 0.209 0.000 2.406 56 I HA 0.185 4.355 4.170 -0.000 0.000 0.249 56 I C 1.216 177.351 176.117 0.031 0.000 1.122 56 I CA 0.928 62.288 61.300 0.100 0.000 1.431 56 I CB -0.464 37.599 38.000 0.106 0.000 1.087 56 I HN 0.512 nan 8.210 nan 0.000 0.424 57 G N 1.273 110.109 108.800 0.060 0.000 3.069 57 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.686 57 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.686 57 G C 0.157 175.077 174.900 0.034 0.000 1.161 57 G CA -0.634 44.489 45.100 0.038 0.000 0.804 57 G HN 0.130 nan 8.290 nan 0.000 0.608 58 E N 0.664 120.882 120.200 0.031 0.000 2.153 58 E HA -0.115 4.235 4.350 -0.000 0.000 0.194 58 E C 2.483 179.093 176.600 0.017 0.000 0.988 58 E CA 1.378 57.793 56.400 0.025 0.000 0.811 58 E CB 0.099 29.811 29.700 0.021 0.000 0.746 58 E HN 0.640 nan 8.360 nan 0.000 0.466 59 V N 2.502 122.425 119.914 0.015 0.000 3.444 59 V HA -0.062 4.058 4.120 -0.000 0.000 0.271 59 V C 0.814 176.912 176.094 0.008 0.000 1.188 59 V CA 1.089 63.396 62.300 0.011 0.000 1.168 59 V CB -0.807 31.023 31.823 0.011 0.000 0.810 59 V HN 0.295 nan 8.190 nan 0.000 0.500 60 T N -4.072 110.487 114.554 0.008 0.000 2.927 60 T HA 0.237 4.587 4.350 -0.000 0.000 0.281 60 T C 0.846 175.550 174.700 0.007 0.000 0.998 60 T CA -0.426 61.677 62.100 0.004 0.000 1.019 60 T CB 1.335 70.201 68.868 -0.003 0.000 1.061 60 T HN 0.183 nan 8.240 nan 0.000 0.518 61 D N 0.605 121.008 120.400 0.006 0.000 2.117 61 D HA -0.080 4.560 4.640 -0.000 0.000 0.198 61 D C 2.316 178.624 176.300 0.013 0.000 0.982 61 D CA 0.737 54.742 54.000 0.007 0.000 0.828 61 D CB -0.278 40.526 40.800 0.007 0.000 0.967 61 D HN 0.369 nan 8.370 nan 0.000 0.464 62 V N 0.946 120.872 119.914 0.019 0.000 2.231 62 V HA -0.258 3.862 4.120 -0.000 0.000 0.248 62 V C 2.693 178.800 176.094 0.022 0.000 1.054 62 V CA 1.369 63.686 62.300 0.029 0.000 1.015 62 V CB -0.564 31.278 31.823 0.032 0.000 0.638 62 V HN 0.051 nan 8.190 nan 0.000 0.444 63 V N -0.713 119.216 119.914 0.026 0.000 2.270 63 V HA -0.236 3.884 4.120 -0.000 0.000 0.245 63 V C 2.371 178.474 176.094 0.015 0.000 1.043 63 V CA 2.048 64.368 62.300 0.033 0.000 1.014 63 V CB -0.631 31.220 31.823 0.046 0.000 0.645 63 V HN 0.584 nan 8.190 nan 0.000 0.447 64 E N 0.650 120.855 120.200 0.009 0.000 2.035 64 E HA -0.259 4.091 4.350 -0.000 0.000 0.204 64 E C 1.702 178.292 176.600 -0.017 0.000 1.025 64 E CA 1.962 58.360 56.400 -0.002 0.000 0.835 64 E CB -0.087 29.611 29.700 -0.002 0.000 0.764 64 E HN 0.709 nan 8.360 nan 0.000 0.457 65 K N -0.979 119.410 120.400 -0.017 0.000 2.564 65 K HA 0.229 4.549 4.320 -0.000 0.000 0.201 65 K C 0.495 177.069 176.600 -0.042 0.000 1.086 65 K CA 0.011 56.274 56.287 -0.040 0.000 1.062 65 K CB 0.836 33.317 32.500 -0.031 0.000 0.849 65 K HN -0.042 nan 8.250 nan 0.000 0.529 66 E N 0.739 120.930 120.200 -0.016 0.000 2.508 66 E HA 0.239 4.589 4.350 -0.000 0.000 0.217 66 E C -0.045 176.564 176.600 0.015 0.000 0.896 66 E CA -0.202 56.210 56.400 0.020 0.000 1.118 66 E CB 0.505 30.248 29.700 0.070 0.000 1.133 66 E HN 0.226 nan 8.360 nan 0.000 0.526 67 M N 1.006 120.603 119.600 -0.005 0.000 2.243 67 M HA 0.142 4.622 4.480 -0.000 0.000 0.341 67 M C -0.684 175.612 176.300 -0.005 0.000 1.130 67 M CA 0.191 55.507 55.300 0.026 0.000 1.162 67 M CB 0.330 32.931 32.600 0.003 0.000 1.497 67 M HN -0.051 nan 8.290 nan 0.000 0.456 68 Y N 1.155 121.504 120.300 0.082 0.000 2.518 68 Y HA 0.282 4.832 4.550 -0.000 0.000 0.344 68 Y C 0.065 176.040 175.900 0.125 0.000 0.982 68 Y CA -0.231 57.940 58.100 0.120 0.000 1.234 68 Y CB 0.627 39.155 38.460 0.113 0.000 1.114 68 Y HN 0.509 nan 8.280 nan 0.000 0.515 69 T N 5.579 120.251 114.554 0.197 0.000 2.841 69 T HA 0.699 5.048 4.350 -0.000 0.000 0.283 69 T C -0.907 173.894 174.700 0.168 0.000 1.000 69 T CA -0.617 61.541 62.100 0.097 0.000 0.977 69 T CB 0.841 69.723 68.868 0.023 0.000 0.979 69 T HN 0.398 nan 8.240 nan 0.000 0.446 70 F N -0.632 119.343 119.950 0.043 0.000 2.745 70 F HA 0.758 5.285 4.527 -0.000 0.000 0.316 70 F C -0.725 175.088 175.800 0.022 0.000 1.155 70 F CA -1.457 56.560 58.000 0.029 0.000 0.937 70 F CB 1.341 40.358 39.000 0.030 0.000 1.361 70 F HN 0.472 nan 8.300 nan 0.000 0.472 71 E N 1.329 121.641 120.200 0.186 0.000 2.175 71 E HA 0.215 4.565 4.350 -0.000 0.000 0.278 71 E C -1.206 175.499 176.600 0.175 0.000 0.969 71 E CA -0.688 55.755 56.400 0.072 0.000 0.796 71 E CB 1.143 30.882 29.700 0.066 0.000 1.104 71 E HN 0.652 nan 8.360 nan 0.000 0.395 72 D N 2.387 122.821 120.400 0.057 0.000 2.414 72 D HA 0.091 4.731 4.640 -0.000 0.000 0.251 72 D C 1.083 177.429 176.300 0.077 0.000 1.252 72 D CA 0.060 54.120 54.000 0.100 0.000 0.999 72 D CB 0.858 41.673 40.800 0.024 0.000 1.093 72 D HN 0.459 nan 8.370 nan 0.000 0.515 73 R N -0.268 120.272 120.500 0.066 0.000 2.062 73 R HA -0.090 4.250 4.340 -0.000 0.000 0.231 73 R C 1.663 177.979 176.300 0.026 0.000 1.136 73 R CA 1.411 57.537 56.100 0.044 0.000 0.948 73 R CB -0.464 29.858 30.300 0.036 0.000 0.845 73 R HN 0.618 nan 8.270 nan 0.000 0.430 74 N N -0.172 118.539 118.700 0.018 0.000 2.626 74 N HA -0.058 4.682 4.740 -0.000 0.000 0.193 74 N C 0.826 176.336 175.510 0.001 0.000 1.213 74 N CA 0.512 53.566 53.050 0.006 0.000 0.914 74 N CB 0.318 38.805 38.487 0.000 0.000 0.994 74 N HN 0.312 nan 8.380 nan 0.000 0.447 75 G N 0.282 109.086 108.800 0.006 0.000 2.253 75 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.251 75 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.251 75 G C -0.290 174.600 174.900 -0.017 0.000 0.998 75 G CA 0.182 45.282 45.100 -0.000 0.000 0.621 75 G HN 0.503 nan 8.290 nan 0.000 0.524 76 D N 0.985 121.367 120.400 -0.029 0.000 2.449 76 D HA 0.327 4.967 4.640 -0.000 0.000 0.236 76 D C 0.599 176.847 176.300 -0.087 0.000 1.149 76 D CA 0.921 54.889 54.000 -0.052 0.000 0.878 76 D CB 1.226 41.992 40.800 -0.056 0.000 1.198 76 D HN 0.198 nan 8.370 nan 0.000 0.446 77 S N 1.268 116.912 115.700 -0.093 0.000 2.505 77 S HA 0.287 4.757 4.470 -0.000 0.000 0.276 77 S C -0.552 173.926 174.600 -0.202 0.000 1.274 77 S CA -0.688 57.434 58.200 -0.131 0.000 1.053 77 S CB 0.171 63.322 63.200 -0.081 0.000 0.919 77 S HN 0.190 nan 8.310 nan 0.000 0.490 78 L N 4.498 125.487 121.223 -0.390 0.000 2.346 78 L HA 0.593 4.933 4.340 -0.000 0.000 0.276 78 L C -0.040 176.531 176.870 -0.498 0.000 1.006 78 L CA 0.013 54.530 54.840 -0.538 0.000 0.817 78 L CB 2.084 43.551 42.059 -0.987 0.000 1.272 78 L HN 0.644 nan 8.230 nan 0.000 0.421 79 T N 3.642 118.102 114.554 -0.156 0.000 2.937 79 T HA 0.443 4.793 4.350 -0.000 0.000 0.297 79 T C -0.673 174.117 174.700 0.150 0.000 0.991 79 T CA -0.525 61.606 62.100 0.052 0.000 0.990 79 T CB 1.265 70.282 68.868 0.248 0.000 0.991 79 T HN 0.104 nan 8.240 nan 0.000 0.440 80 L N 4.323 125.612 121.223 0.110 0.000 2.462 80 L HA 0.241 4.581 4.340 -0.000 0.000 0.272 80 L C 1.245 178.113 176.870 -0.004 0.000 1.166 80 L CA -0.032 54.800 54.840 -0.013 0.000 0.880 80 L CB -0.041 41.840 42.059 -0.297 0.000 1.142 80 L HN 0.611 nan 8.230 nan 0.000 0.473 81 R N 6.313 126.844 120.500 0.051 0.000 2.486 81 R HA 0.038 4.378 4.340 -0.000 0.000 0.303 81 R C -2.002 174.221 176.300 -0.128 0.000 0.958 81 R CA -0.680 55.335 56.100 -0.142 0.000 1.077 81 R CB -0.018 30.370 30.300 0.146 0.000 0.921 81 R HN 0.447 nan 8.270 nan 0.000 0.406 82 P HA -0.027 nan 4.420 nan 0.000 0.251 82 P C -0.936 176.371 177.300 0.012 0.000 1.223 82 P CA 0.692 63.742 63.100 -0.083 0.000 0.796 82 P CB 0.392 32.018 31.700 -0.125 0.000 1.068 83 E N -3.126 117.060 120.200 -0.023 0.000 2.439 83 E HA 0.546 4.896 4.350 -0.000 0.000 0.279 83 E C 0.279 176.939 176.600 0.101 0.000 1.077 83 E CA -0.906 55.560 56.400 0.110 0.000 0.849 83 E CB -0.190 29.629 29.700 0.199 0.000 1.408 83 E HN -0.218 nan 8.360 nan 0.000 0.457 84 G N -0.523 108.334 108.800 0.096 0.000 2.833 84 G HA2 0.021 3.981 3.960 -0.000 0.000 0.210 84 G HA3 0.021 3.981 3.960 -0.000 0.000 0.210 84 G C 0.808 175.644 174.900 -0.107 0.000 1.139 84 G CA 0.716 45.718 45.100 -0.163 0.000 0.771 84 G HN 0.436 nan 8.290 nan 0.000 0.535 85 T N 1.893 116.518 114.554 0.117 0.000 2.708 85 T HA -0.039 4.311 4.350 -0.000 0.000 0.266 85 T C 2.847 177.539 174.700 -0.013 0.000 1.037 85 T CA 1.511 63.643 62.100 0.054 0.000 1.146 85 T CB -0.317 68.473 68.868 -0.129 0.000 0.865 85 T HN 0.322 nan 8.240 nan 0.000 0.435 86 A N 1.569 124.417 122.820 0.046 0.000 1.892 86 A HA -0.007 4.313 4.320 -0.000 0.000 0.218 86 A C 2.655 180.219 177.584 -0.033 0.000 1.188 86 A CA 2.088 54.133 52.037 0.013 0.000 0.631 86 A CB -1.481 17.586 19.000 0.112 0.000 0.822 86 A HN 0.528 nan 8.150 nan 0.000 0.447 87 G N -1.521 107.280 108.800 0.001 0.000 2.432 87 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.219 87 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.219 87 G C 1.700 176.581 174.900 -0.031 0.000 1.135 87 G CA 1.203 46.280 45.100 -0.039 0.000 0.767 87 G HN 0.592 nan 8.290 nan 0.000 0.550 88 C N -0.094 119.206 119.300 0.000 0.000 2.432 88 C HA 0.004 4.464 4.460 -0.000 0.000 0.277 88 C C 3.079 178.083 174.990 0.024 0.000 1.249 88 C CA 1.183 60.246 59.018 0.074 0.000 1.725 88 C CB -0.898 27.005 27.740 0.272 0.000 2.028 88 C HN 0.259 nan 8.230 nan 0.000 0.477 89 V N 1.512 121.449 119.914 0.038 0.000 2.307 89 V HA -0.161 3.959 4.120 -0.000 0.000 0.245 89 V C 2.828 178.870 176.094 -0.086 0.000 1.045 89 V CA 2.091 64.361 62.300 -0.050 0.000 1.024 89 V CB -0.941 30.909 31.823 0.044 0.000 0.651 89 V HN 0.504 nan 8.190 nan 0.000 0.449 90 R N 0.525 120.982 120.500 -0.071 0.000 2.117 90 R HA -0.212 4.128 4.340 -0.000 0.000 0.243 90 R C 2.126 178.380 176.300 -0.075 0.000 1.143 90 R CA 2.050 58.096 56.100 -0.091 0.000 0.968 90 R CB -0.410 29.820 30.300 -0.117 0.000 0.863 90 R HN 0.509 nan 8.270 nan 0.000 0.444 91 A N -0.366 122.437 122.820 -0.028 0.000 1.935 91 A HA 0.074 4.394 4.320 -0.000 0.000 0.214 91 A C 2.332 179.962 177.584 0.076 0.000 1.178 91 A CA 1.124 53.208 52.037 0.078 0.000 0.640 91 A CB -0.726 18.339 19.000 0.109 0.000 0.825 91 A HN 0.512 nan 8.150 nan 0.000 0.447 92 G N 0.330 109.092 108.800 -0.063 0.000 2.440 92 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.218 92 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.218 92 G C 1.501 176.333 174.900 -0.114 0.000 1.154 92 G CA 1.266 46.272 45.100 -0.157 0.000 0.767 92 G HN 0.465 nan 8.290 nan 0.000 0.552 93 I N 0.012 120.511 120.570 -0.118 0.000 2.277 93 I HA -0.044 4.126 4.170 -0.000 0.000 0.243 93 I C 2.593 178.640 176.117 -0.117 0.000 1.094 93 I CA 1.065 62.304 61.300 -0.102 0.000 1.393 93 I CB -0.248 37.693 38.000 -0.099 0.000 1.078 93 I HN 0.218 nan 8.210 nan 0.000 0.417 94 E N 0.472 120.575 120.200 -0.161 0.000 2.171 94 E HA -0.239 4.111 4.350 -0.000 0.000 0.197 94 E C 1.242 177.589 176.600 -0.421 0.000 0.997 94 E CA 1.204 57.419 56.400 -0.309 0.000 0.810 94 E CB 0.114 29.564 29.700 -0.417 0.000 0.738 94 E HN 0.588 nan 8.360 nan 0.000 0.467 95 H N -1.520 117.513 119.070 -0.061 0.000 2.528 95 H HA 0.207 4.763 4.556 -0.000 0.000 0.282 95 H C 0.463 175.767 175.328 -0.041 0.000 1.097 95 H CA 0.375 56.395 56.048 -0.047 0.000 1.121 95 H CB 0.845 30.580 29.762 -0.044 0.000 1.590 95 H HN 0.221 nan 8.280 nan 0.000 0.553 96 G N 2.204 111.017 108.800 0.021 0.000 2.352 96 G HA2 -0.252 3.707 3.960 -0.000 0.000 0.283 96 G HA3 -0.252 3.707 3.960 -0.000 0.000 0.283 96 G C 0.605 175.530 174.900 0.042 0.000 0.946 96 G CA 0.308 45.424 45.100 0.026 0.000 1.317 96 G HN 0.465 nan 8.290 nan 0.000 0.478 97 L N -0.533 120.693 121.223 0.006 0.000 2.672 97 L HA 0.280 4.620 4.340 -0.000 0.000 0.236 97 L C 2.489 179.336 176.870 -0.039 0.000 1.092 97 L CA 0.025 54.856 54.840 -0.014 0.000 0.887 97 L CB -0.025 42.009 42.059 -0.041 0.000 1.168 97 L HN 0.430 nan 8.230 nan 0.000 0.502 98 L N -1.554 119.633 121.223 -0.061 0.000 2.253 98 L HA 0.026 4.366 4.340 -0.000 0.000 0.205 98 L C 0.861 177.759 176.870 0.047 0.000 1.078 98 L CA 0.022 54.823 54.840 -0.065 0.000 0.805 98 L CB -0.351 41.606 42.059 -0.171 0.000 0.963 98 L HN 0.032 nan 8.230 nan 0.000 0.459 99 Y N 3.523 123.795 120.300 -0.047 0.000 2.815 99 Y HA -0.121 4.429 4.550 -0.000 0.000 0.346 99 Y C 0.689 176.583 175.900 -0.011 0.000 1.267 99 Y CA -0.193 57.893 58.100 -0.024 0.000 1.604 99 Y CB -0.814 37.631 38.460 -0.025 0.000 1.218 99 Y HN 0.218 nan 8.280 nan 0.000 0.527 100 N N 2.920 121.345 118.700 -0.459 0.000 2.721 100 N HA -0.268 4.472 4.740 -0.000 0.000 0.249 100 N C -1.145 174.257 175.510 -0.181 0.000 1.072 100 N CA 1.499 54.310 53.050 -0.399 0.000 0.710 100 N CB -0.754 37.364 38.487 -0.615 0.000 0.993 100 N HN 0.788 nan 8.380 nan 0.000 0.547 101 Q N -0.742 119.005 119.800 -0.089 0.000 2.495 101 Q HA 0.513 4.853 4.340 -0.000 0.000 0.287 101 Q C -0.743 175.258 176.000 0.003 0.000 1.078 101 Q CA -0.850 54.931 55.803 -0.037 0.000 0.793 101 Q CB 2.401 31.128 28.738 -0.019 0.000 1.459 101 Q HN 0.271 nan 8.270 nan 0.000 0.422 102 E N 1.067 121.271 120.200 0.007 0.000 2.212 102 E HA 0.303 4.653 4.350 -0.000 0.000 0.268 102 E C -1.308 175.309 176.600 0.030 0.000 0.902 102 E CA -0.471 55.943 56.400 0.023 0.000 0.779 102 E CB 1.180 30.876 29.700 -0.006 0.000 1.172 102 E HN 0.324 nan 8.360 nan 0.000 0.409 103 Q N 3.067 122.907 119.800 0.066 0.000 2.284 103 Q HA 0.360 4.700 4.340 -0.000 0.000 0.269 103 Q C -1.114 174.886 176.000 -0.001 0.000 1.026 103 Q CA -0.591 55.248 55.803 0.059 0.000 0.831 103 Q CB 2.329 31.154 28.738 0.145 0.000 1.322 103 Q HN 0.556 nan 8.270 nan 0.000 0.419 104 R N 2.507 122.915 120.500 -0.152 0.000 2.352 104 R HA 0.548 4.888 4.340 -0.000 0.000 0.304 104 R C -0.342 175.852 176.300 -0.177 0.000 1.104 104 R CA -0.266 55.566 56.100 -0.446 0.000 0.991 104 R CB 0.847 30.450 30.300 -1.162 0.000 1.140 104 R HN 0.399 nan 8.270 nan 0.000 0.540 105 L N 2.375 123.648 121.223 0.085 0.000 2.313 105 L HA 0.698 5.038 4.340 -0.000 0.000 0.268 105 L C -0.269 176.788 176.870 0.313 0.000 1.010 105 L CA -1.085 53.869 54.840 0.191 0.000 0.814 105 L CB 1.415 43.583 42.059 0.182 0.000 1.304 105 L HN 0.528 nan 8.230 nan 0.000 0.441 106 W N 1.277 122.650 121.300 0.122 0.000 3.167 106 W HA 0.631 5.291 4.660 -0.000 0.000 0.324 106 W C -2.307 174.235 176.519 0.038 0.000 1.230 106 W CA -1.039 56.286 57.345 -0.034 0.000 1.184 106 W CB 0.944 30.429 29.460 0.041 0.000 1.414 106 W HN 0.537 nan 8.180 nan 0.000 0.551 107 Y N 1.226 121.739 120.300 0.355 0.000 2.588 107 Y HA 0.859 5.409 4.550 -0.000 0.000 0.343 107 Y C -1.734 174.389 175.900 0.371 0.000 1.065 107 Y CA -2.586 55.604 58.100 0.150 0.000 1.038 107 Y CB 1.772 40.279 38.460 0.077 0.000 1.297 107 Y HN 0.533 nan 8.280 nan 0.000 0.467 108 I N 1.385 122.268 120.570 0.520 0.000 2.607 108 I HA 0.866 5.036 4.170 -0.000 0.000 0.290 108 I C -0.529 175.782 176.117 0.324 0.000 1.129 108 I CA -0.317 61.261 61.300 0.462 0.000 1.042 108 I CB 1.909 40.198 38.000 0.481 0.000 1.242 108 I HN 1.162 nan 8.210 nan 0.000 0.421 109 G N 6.466 115.440 108.800 0.290 0.000 2.313 109 G HA2 0.251 4.211 3.960 -0.000 0.000 0.296 109 G HA3 0.251 4.211 3.960 -0.000 0.000 0.296 109 G C -3.382 171.572 174.900 0.090 0.000 1.356 109 G CA -0.710 44.512 45.100 0.204 0.000 0.833 109 G HN 0.364 nan 8.290 nan 0.000 0.552 110 P HA 0.451 nan 4.420 nan 0.000 0.272 110 P C -0.774 176.161 177.300 -0.608 0.000 1.223 110 P CA 0.087 62.877 63.100 -0.516 0.000 0.784 110 P CB 1.045 32.519 31.700 -0.377 0.000 0.923 111 M N 1.562 120.465 119.600 -1.162 0.000 2.593 111 M HA 0.507 4.987 4.480 -0.000 0.000 0.290 111 M C -0.858 174.590 176.300 -1.419 0.000 1.244 111 M CA -0.611 54.056 55.300 -1.056 0.000 0.857 111 M CB 1.528 33.385 32.600 -1.237 0.000 1.738 111 M HN 0.209 nan 8.290 nan 0.000 0.461 112 F N 0.821 120.574 119.950 -0.329 0.000 2.561 112 F HA 0.681 5.208 4.527 -0.000 0.000 0.313 112 F C -0.238 175.726 175.800 0.274 0.000 1.126 112 F CA -0.646 57.328 58.000 -0.044 0.000 0.918 112 F CB 1.845 40.762 39.000 -0.140 0.000 1.199 112 F HN 0.366 nan 8.300 nan 0.000 0.444 113 R N 0.808 121.682 120.500 0.625 0.000 2.508 113 R HA 0.146 4.486 4.340 -0.000 0.000 0.283 113 R C -1.523 175.061 176.300 0.473 0.000 1.120 113 R CA -0.947 55.457 56.100 0.507 0.000 0.958 113 R CB 1.800 32.350 30.300 0.418 0.000 1.215 113 R HN 0.773 nan 8.270 nan 0.000 0.427 114 H N 2.479 121.662 119.070 0.188 0.000 3.224 114 H HA 0.116 4.672 4.556 -0.000 0.000 0.265 114 H C -0.529 174.819 175.328 0.033 0.000 1.461 114 H CA 0.581 56.639 56.048 0.017 0.000 1.509 114 H CB 0.375 29.902 29.762 -0.391 0.000 1.686 114 H HN 0.434 nan 8.280 nan 0.000 0.514 115 E N 2.360 122.611 120.200 0.084 0.000 2.355 115 E HA 0.259 4.608 4.350 -0.000 0.000 0.261 115 E C -0.524 176.073 176.600 -0.006 0.000 0.943 115 E CA -1.448 54.985 56.400 0.054 0.000 0.806 115 E CB 1.632 31.343 29.700 0.018 0.000 1.286 115 E HN 0.392 nan 8.360 nan 0.000 0.424 116 R N 1.976 122.469 120.500 -0.010 0.000 2.291 116 R HA 0.174 4.514 4.340 -0.000 0.000 0.333 116 R C -2.322 173.936 176.300 -0.070 0.000 1.082 116 R CA -1.571 54.512 56.100 -0.028 0.000 0.948 116 R CB -0.037 30.252 30.300 -0.019 0.000 1.009 116 R HN 0.159 nan 8.270 nan 0.000 0.460 117 P HA -0.123 nan 4.420 nan 0.000 0.263 117 P C -0.775 176.436 177.300 -0.149 0.000 1.168 117 P CA 0.649 63.677 63.100 -0.120 0.000 0.759 117 P CB 0.642 32.311 31.700 -0.053 0.000 0.782 118 Q N 1.279 120.922 119.800 -0.261 0.000 2.833 118 Q HA 0.192 4.532 4.340 -0.000 0.000 0.340 118 Q C 0.687 176.511 176.000 -0.295 0.000 0.800 118 Q CA -0.849 54.828 55.803 -0.211 0.000 0.821 118 Q CB 0.416 29.052 28.738 -0.170 0.000 1.340 118 Q HN 0.083 nan 8.270 nan 0.000 0.515 119 K N 0.750 121.049 120.400 -0.168 0.000 1.975 119 K HA -0.101 4.219 4.320 -0.000 0.000 0.225 119 K C 1.464 177.985 176.600 -0.131 0.000 1.050 119 K CA 2.181 58.413 56.287 -0.092 0.000 0.992 119 K CB -1.051 31.427 32.500 -0.038 0.000 0.738 119 K HN 0.829 nan 8.250 nan 0.000 0.446 120 G N 1.282 110.009 108.800 -0.122 0.000 3.518 120 G HA2 0.094 4.054 3.960 -0.000 0.000 0.273 120 G HA3 0.094 4.054 3.960 -0.000 0.000 0.273 120 G C -0.093 174.682 174.900 -0.207 0.000 1.199 120 G CA -0.269 44.815 45.100 -0.027 0.000 0.899 120 G HN 0.057 nan 8.290 nan 0.000 0.533 121 R N 0.128 120.262 120.500 -0.610 0.000 2.476 121 R HA 0.497 4.837 4.340 -0.000 0.000 0.305 121 R C -1.544 174.274 176.300 -0.802 0.000 0.965 121 R CA -0.473 55.310 56.100 -0.529 0.000 0.867 121 R CB 1.743 31.851 30.300 -0.319 0.000 1.176 121 R HN 0.262 nan 8.270 nan 0.000 0.447 122 Y N 0.079 120.368 120.300 -0.019 0.000 2.605 122 Y HA 0.406 4.956 4.550 -0.000 0.000 0.343 122 Y C 1.461 177.454 175.900 0.155 0.000 1.036 122 Y CA -1.127 57.020 58.100 0.078 0.000 1.065 122 Y CB 1.582 40.125 38.460 0.137 0.000 1.288 122 Y HN 0.276 nan 8.280 nan 0.000 0.481 123 R N 0.001 120.678 120.500 0.294 0.000 2.119 123 R HA -0.037 4.303 4.340 -0.000 0.000 0.222 123 R C 0.044 176.506 176.300 0.270 0.000 1.088 123 R CA 0.684 56.966 56.100 0.304 0.000 0.984 123 R CB 0.316 30.762 30.300 0.244 0.000 0.884 123 R HN 0.592 nan 8.270 nan 0.000 0.447 124 Q N 0.945 120.833 119.800 0.147 0.000 2.381 124 Q HA 0.234 4.573 4.340 -0.000 0.000 0.263 124 Q C -1.260 174.652 176.000 -0.147 0.000 1.030 124 Q CA -0.646 55.007 55.803 -0.250 0.000 0.772 124 Q CB 0.745 29.341 28.738 -0.237 0.000 1.232 124 Q HN -0.009 nan 8.270 nan 0.000 0.476 125 F N -0.019 119.691 119.950 -0.400 0.000 2.697 125 F HA 0.719 5.246 4.527 -0.000 0.000 0.386 125 F C -1.078 174.349 175.800 -0.621 0.000 1.154 125 F CA -1.215 56.635 58.000 -0.251 0.000 1.108 125 F CB 0.889 39.935 39.000 0.076 0.000 1.429 125 F HN 0.382 nan 8.300 nan 0.000 0.509 126 H N -0.839 118.326 119.070 0.158 0.000 2.759 126 H HA 0.529 5.085 4.556 -0.000 0.000 0.354 126 H C -1.270 174.199 175.328 0.235 0.000 1.074 126 H CA -0.725 55.365 56.048 0.071 0.000 1.226 126 H CB 1.851 31.674 29.762 0.102 0.000 1.648 126 H HN 0.533 nan 8.280 nan 0.000 0.529 127 Q N 1.573 121.539 119.800 0.277 0.000 2.399 127 Q HA 0.467 4.807 4.340 -0.000 0.000 0.276 127 Q C -1.243 174.969 176.000 0.355 0.000 1.098 127 Q CA -1.334 54.679 55.803 0.350 0.000 0.827 127 Q CB 3.109 32.078 28.738 0.384 0.000 1.386 127 Q HN 0.269 nan 8.270 nan 0.000 0.443 128 L N 1.370 122.785 121.223 0.320 0.000 2.377 128 L HA 0.716 5.056 4.340 -0.000 0.000 0.270 128 L C -0.918 176.117 176.870 0.274 0.000 0.991 128 L CA 0.075 55.085 54.840 0.284 0.000 0.851 128 L CB 0.794 42.934 42.059 0.135 0.000 1.218 128 L HN 0.732 nan 8.230 nan 0.000 0.420 129 G N 3.641 112.417 108.800 -0.039 0.000 2.537 129 G HA2 0.657 4.617 3.960 -0.000 0.000 0.308 129 G HA3 0.657 4.617 3.960 -0.000 0.000 0.308 129 G C -1.474 173.048 174.900 -0.630 0.000 1.237 129 G CA -0.337 44.552 45.100 -0.351 0.000 0.968 129 G HN 0.681 nan 8.290 nan 0.000 0.481 130 C N 0.376 119.264 119.300 -0.686 0.000 2.563 130 C HA 0.810 5.270 4.460 -0.000 0.000 0.314 130 C C -0.822 174.002 174.990 -0.276 0.000 1.199 130 C CA -0.812 57.928 59.018 -0.463 0.000 1.564 130 C CB 1.621 28.949 27.740 -0.687 0.000 2.173 130 C HN 0.703 nan 8.230 nan 0.000 0.485 131 E N 1.588 121.770 120.200 -0.029 0.000 2.292 131 E HA 0.576 4.926 4.350 -0.000 0.000 0.272 131 E C -1.564 174.967 176.600 -0.115 0.000 0.881 131 E CA -0.444 55.946 56.400 -0.016 0.000 0.754 131 E CB 2.268 32.098 29.700 0.217 0.000 1.201 131 E HN 0.367 nan 8.360 nan 0.000 0.425 132 V N 3.205 122.901 119.914 -0.363 0.000 2.483 132 V HA 0.470 4.590 4.120 -0.000 0.000 0.297 132 V C -0.874 174.890 176.094 -0.549 0.000 1.027 132 V CA -0.714 61.407 62.300 -0.298 0.000 0.855 132 V CB 0.674 32.417 31.823 -0.133 0.000 0.995 132 V HN 0.490 nan 8.190 nan 0.000 0.424 133 F N 2.351 122.279 119.950 -0.038 0.000 2.480 133 F HA 0.808 5.335 4.527 -0.000 0.000 0.329 133 F C 1.217 176.988 175.800 -0.049 0.000 1.091 133 F CA 0.476 58.445 58.000 -0.051 0.000 0.972 133 F CB 2.061 41.050 39.000 -0.017 0.000 1.150 133 F HN 0.710 nan 8.300 nan 0.000 0.467 134 G N 1.517 110.386 108.800 0.114 0.000 2.345 134 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.218 134 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.218 134 G C -0.176 174.731 174.900 0.012 0.000 1.058 134 G CA -0.526 44.606 45.100 0.052 0.000 0.632 134 G HN 0.508 nan 8.290 nan 0.000 0.508 135 L N 1.405 122.624 121.223 -0.006 0.000 2.331 135 L HA 0.526 4.866 4.340 -0.000 0.000 0.278 135 L C 1.399 178.272 176.870 0.005 0.000 1.106 135 L CA 0.310 55.148 54.840 -0.004 0.000 0.824 135 L CB 1.551 43.604 42.059 -0.009 0.000 1.142 135 L HN 0.515 nan 8.230 nan 0.000 0.443 136 Q N 2.667 122.487 119.800 0.032 0.000 2.481 136 Q HA 0.163 4.503 4.340 -0.000 0.000 0.219 136 Q C 1.075 177.178 176.000 0.172 0.000 0.920 136 Q CA 0.416 56.262 55.803 0.072 0.000 0.915 136 Q CB 0.357 29.130 28.738 0.058 0.000 1.057 136 Q HN 0.806 nan 8.270 nan 0.000 0.581 137 G N 1.571 110.434 108.800 0.106 0.000 2.750 137 G HA2 0.028 3.988 3.960 -0.000 0.000 0.250 137 G HA3 0.028 3.988 3.960 -0.000 0.000 0.250 137 G C -1.760 173.114 174.900 -0.043 0.000 1.230 137 G CA -0.373 44.760 45.100 0.055 0.000 0.883 137 G HN 0.332 nan 8.290 nan 0.000 0.573 138 P HA -0.049 nan 4.420 nan 0.000 0.233 138 P C 0.731 177.925 177.300 -0.176 0.000 1.167 138 P CA 1.340 64.178 63.100 -0.436 0.000 0.770 138 P CB 0.102 31.438 31.700 -0.607 0.000 0.837 139 D N 0.685 121.015 120.400 -0.116 0.000 2.104 139 D HA -0.207 4.433 4.640 -0.000 0.000 0.194 139 D C 1.897 178.176 176.300 -0.035 0.000 0.994 139 D CA 0.761 54.719 54.000 -0.069 0.000 0.830 139 D CB -1.478 39.295 40.800 -0.045 0.000 0.959 139 D HN 0.112 nan 8.370 nan 0.000 0.452 140 I N 1.005 121.569 120.570 -0.011 0.000 2.493 140 I HA -0.169 4.001 4.170 -0.000 0.000 0.254 140 I C 0.721 176.848 176.117 0.017 0.000 1.160 140 I CA 1.238 62.549 61.300 0.019 0.000 1.445 140 I CB -0.352 37.662 38.000 0.022 0.000 1.086 140 I HN -0.170 nan 8.210 nan 0.000 0.433 141 D N 0.798 121.200 120.400 0.004 0.000 2.144 141 D HA -0.132 4.508 4.640 -0.000 0.000 0.199 141 D C 2.297 178.537 176.300 -0.100 0.000 0.984 141 D CA 1.462 55.456 54.000 -0.010 0.000 0.834 141 D CB -0.352 40.460 40.800 0.020 0.000 0.955 141 D HN 0.452 nan 8.370 nan 0.000 0.465 142 A N 0.730 123.490 122.820 -0.100 0.000 1.873 142 A HA -0.223 4.097 4.320 -0.000 0.000 0.215 142 A C 2.115 179.645 177.584 -0.091 0.000 1.186 142 A CA 1.790 53.754 52.037 -0.121 0.000 0.616 142 A CB -0.747 18.190 19.000 -0.105 0.000 0.823 142 A HN 0.274 nan 8.150 nan 0.000 0.442 143 E N 0.066 120.244 120.200 -0.038 0.000 2.049 143 E HA -0.226 4.124 4.350 -0.000 0.000 0.198 143 E C 1.935 178.457 176.600 -0.130 0.000 1.007 143 E CA 1.598 57.992 56.400 -0.010 0.000 0.809 143 E CB -0.322 29.430 29.700 0.086 0.000 0.749 143 E HN 0.604 nan 8.360 nan 0.000 0.450 144 L N 0.503 121.682 121.223 -0.074 0.000 1.989 144 L HA -0.232 4.108 4.340 -0.000 0.000 0.211 144 L C 2.718 179.488 176.870 -0.167 0.000 1.071 144 L CA 1.327 56.137 54.840 -0.051 0.000 0.749 144 L CB -0.534 41.644 42.059 0.197 0.000 0.890 144 L HN 0.297 nan 8.230 nan 0.000 0.431 145 I N -0.652 119.797 120.570 -0.202 0.000 2.208 145 I HA -0.351 3.819 4.170 -0.000 0.000 0.245 145 I C 2.658 178.704 176.117 -0.118 0.000 1.097 145 I CA 1.577 62.768 61.300 -0.182 0.000 1.363 145 I CB -0.206 37.620 38.000 -0.289 0.000 1.051 145 I HN 0.299 nan 8.210 nan 0.000 0.413 146 M N -0.116 119.389 119.600 -0.158 0.000 2.159 146 M HA -0.228 4.251 4.480 -0.000 0.000 0.263 146 M C 2.406 178.511 176.300 -0.325 0.000 1.063 146 M CA 1.716 56.932 55.300 -0.140 0.000 1.110 146 M CB -0.308 32.266 32.600 -0.043 0.000 1.374 146 M HN 0.301 nan 8.290 nan 0.000 0.411 147 L N 0.290 121.152 121.223 -0.602 0.000 2.012 147 L HA -0.221 4.119 4.340 -0.000 0.000 0.210 147 L C 2.573 178.757 176.870 -1.143 0.000 1.073 147 L CA 2.004 56.180 54.840 -1.105 0.000 0.748 147 L CB -0.499 40.691 42.059 -1.448 0.000 0.891 147 L HN 0.426 nan 8.230 nan 0.000 0.431 148 T N -2.647 111.275 114.554 -1.053 0.000 2.929 148 T HA -0.069 4.281 4.350 -0.000 0.000 0.271 148 T C 1.704 175.419 174.700 -1.642 0.000 1.085 148 T CA 0.843 62.120 62.100 -1.372 0.000 1.125 148 T CB -0.500 67.734 68.868 -1.057 0.000 0.874 148 T HN 0.436 nan 8.240 nan 0.000 0.494 149 A N 1.392 123.664 122.820 -0.914 0.000 2.021 149 A HA 0.209 4.529 4.320 -0.000 0.000 0.216 149 A C 2.445 179.788 177.584 -0.403 0.000 1.163 149 A CA 0.891 52.547 52.037 -0.635 0.000 0.676 149 A CB -0.572 18.350 19.000 -0.130 0.000 0.818 149 A HN 0.453 nan 8.150 nan 0.000 0.453 150 R N -1.431 118.854 120.500 -0.359 0.000 2.092 150 R HA -0.155 4.185 4.340 -0.000 0.000 0.231 150 R C 1.841 178.081 176.300 -0.100 0.000 1.119 150 R CA 1.449 57.455 56.100 -0.156 0.000 0.970 150 R CB -0.242 30.014 30.300 -0.073 0.000 0.864 150 R HN 0.654 nan 8.270 nan 0.000 0.440 151 W N 0.233 121.243 121.300 -0.483 0.000 2.333 151 W HA -0.182 4.478 4.660 -0.000 0.000 0.316 151 W C 1.908 178.309 176.519 -0.196 0.000 1.215 151 W CA 0.709 57.784 57.345 -0.450 0.000 1.278 151 W CB -1.333 27.650 29.460 -0.795 0.000 1.154 151 W HN 0.249 nan 8.180 nan 0.000 0.486 152 W N -0.315 120.965 121.300 -0.033 0.000 2.363 152 W HA -0.171 4.489 4.660 -0.000 0.000 0.296 152 W C 2.567 179.049 176.519 -0.062 0.000 1.212 152 W CA 0.493 57.763 57.345 -0.124 0.000 1.260 152 W CB -0.935 28.387 29.460 -0.230 0.000 1.131 152 W HN -0.189 nan 8.180 nan 0.000 0.530 153 R N 0.751 121.350 120.500 0.165 0.000 2.075 153 R HA -0.167 4.173 4.340 -0.000 0.000 0.230 153 R C 2.479 178.834 176.300 0.092 0.000 1.140 153 R CA 1.850 58.013 56.100 0.105 0.000 0.928 153 R CB -0.892 29.442 30.300 0.058 0.000 0.834 153 R HN 0.134 nan 8.270 nan 0.000 0.429 154 A N 0.478 123.348 122.820 0.083 0.000 2.032 154 A HA -0.159 4.161 4.320 -0.000 0.000 0.221 154 A C 1.717 179.348 177.584 0.079 0.000 1.165 154 A CA 1.300 53.383 52.037 0.078 0.000 0.645 154 A CB -0.216 18.834 19.000 0.082 0.000 0.807 154 A HN 0.206 nan 8.150 nan 0.000 0.453 155 L N -1.485 119.778 121.223 0.066 0.000 2.607 155 L HA 0.272 4.612 4.340 -0.000 0.000 0.228 155 L C 1.435 178.296 176.870 -0.015 0.000 1.123 155 L CA 0.885 55.720 54.840 -0.009 0.000 0.890 155 L CB -0.987 41.022 42.059 -0.083 0.000 1.103 155 L HN 0.644 nan 8.230 nan 0.000 0.468 156 G N 1.822 110.652 108.800 0.049 0.000 2.351 156 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.297 156 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.297 156 G C 0.635 175.548 174.900 0.023 0.000 1.054 156 G CA 0.665 45.794 45.100 0.048 0.000 1.123 156 G HN 0.575 nan 8.290 nan 0.000 0.512 157 I N -3.963 116.638 120.570 0.051 0.000 4.051 157 I HA 0.295 4.465 4.170 -0.000 0.000 0.333 157 I C 1.463 177.609 176.117 0.048 0.000 1.399 157 I CA 0.262 61.584 61.300 0.037 0.000 1.087 157 I CB 0.051 37.973 38.000 -0.130 0.000 1.625 157 I HN -0.032 nan 8.210 nan 0.000 0.617 158 S N 1.827 117.586 115.700 0.098 0.000 2.374 158 S HA -0.147 4.323 4.470 -0.000 0.000 0.227 158 S C 1.733 176.349 174.600 0.027 0.000 1.037 158 S CA 2.032 60.289 58.200 0.096 0.000 1.024 158 S CB -0.199 63.075 63.200 0.124 0.000 0.861 158 S HN 0.560 nan 8.310 nan 0.000 0.456 159 E N 0.984 121.182 120.200 -0.004 0.000 2.204 159 E HA -0.089 4.261 4.350 -0.000 0.000 0.194 159 E C 0.958 177.348 176.600 -0.351 0.000 0.989 159 E CA 0.838 57.135 56.400 -0.172 0.000 0.824 159 E CB -0.374 29.174 29.700 -0.252 0.000 0.756 159 E HN 0.698 nan 8.360 nan 0.000 0.477 160 H N -0.309 118.710 119.070 -0.085 0.000 2.537 160 H HA 0.276 4.831 4.556 -0.000 0.000 0.295 160 H C -0.241 174.991 175.328 -0.161 0.000 1.054 160 H CA -0.009 55.972 56.048 -0.111 0.000 1.156 160 H CB 0.592 30.278 29.762 -0.127 0.000 1.468 160 H HN -0.162 nan 8.280 nan 0.000 0.551 161 V N 1.541 121.394 119.914 -0.103 0.000 2.612 161 V HA 0.135 4.255 4.120 -0.000 0.000 0.301 161 V C -0.001 176.177 176.094 0.141 0.000 1.059 161 V CA -0.739 61.491 62.300 -0.118 0.000 0.886 161 V CB 2.225 33.687 31.823 -0.601 0.000 1.007 161 V HN 0.172 nan 8.190 nan 0.000 0.426 162 T N 5.701 120.358 114.554 0.172 0.000 2.829 162 T HA 0.627 4.977 4.350 -0.000 0.000 0.282 162 T C -0.534 174.239 174.700 0.122 0.000 0.990 162 T CA -0.331 61.864 62.100 0.158 0.000 1.028 162 T CB 1.592 70.492 68.868 0.053 0.000 0.951 162 T HN 0.432 nan 8.240 nan 0.000 0.460 163 L N 3.024 124.181 121.223 -0.110 0.000 2.282 163 L HA 0.508 4.848 4.340 -0.000 0.000 0.288 163 L C -0.419 176.321 176.870 -0.216 0.000 1.033 163 L CA -0.154 54.363 54.840 -0.539 0.000 0.807 163 L CB 0.715 42.178 42.059 -0.995 0.000 1.209 163 L HN 0.609 nan 8.230 nan 0.000 0.423 164 E N 5.837 125.939 120.200 -0.164 0.000 2.165 164 E HA 0.504 4.854 4.350 -0.000 0.000 0.266 164 E C -1.148 175.466 176.600 0.024 0.000 0.889 164 E CA -0.550 55.834 56.400 -0.026 0.000 0.756 164 E CB 2.043 31.737 29.700 -0.009 0.000 1.131 164 E HN 0.591 nan 8.360 nan 0.000 0.411 165 L N 2.499 123.785 121.223 0.105 0.000 2.304 165 L HA 0.641 4.981 4.340 -0.000 0.000 0.268 165 L C -0.262 176.717 176.870 0.182 0.000 1.010 165 L CA -0.901 54.047 54.840 0.180 0.000 0.813 165 L CB 1.644 43.849 42.059 0.244 0.000 1.315 165 L HN 0.521 nan 8.230 nan 0.000 0.445 166 N N -0.822 117.939 118.700 0.102 0.000 4.107 166 N HA 0.184 4.924 4.740 -0.000 0.000 0.213 166 N C -1.914 173.296 175.510 -0.500 0.000 1.216 166 N CA -0.373 52.554 53.050 -0.206 0.000 0.925 166 N CB 1.544 39.963 38.487 -0.115 0.000 1.541 166 N HN 0.477 nan 8.380 nan 0.000 0.524 167 S N 1.466 116.696 115.700 -0.783 0.000 2.561 167 S HA 0.509 4.979 4.470 -0.000 0.000 0.303 167 S C 0.552 174.956 174.600 -0.327 0.000 1.110 167 S CA -0.822 57.027 58.200 -0.585 0.000 1.034 167 S CB 0.199 62.908 63.200 -0.818 0.000 1.010 167 S HN 0.547 nan 8.310 nan 0.000 0.482 168 I N 2.891 123.350 120.570 -0.185 0.000 3.855 168 I HA 0.476 4.646 4.170 -0.000 0.000 0.327 168 I C 1.146 177.215 176.117 -0.081 0.000 1.359 168 I CA -0.017 61.205 61.300 -0.130 0.000 1.142 168 I CB -0.965 36.993 38.000 -0.069 0.000 1.041 168 I HN 0.820 nan 8.210 nan 0.000 0.403 169 G N 2.706 111.454 108.800 -0.085 0.000 2.634 169 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.318 169 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.318 169 G C 0.123 175.018 174.900 -0.008 0.000 1.207 169 G CA 0.950 46.027 45.100 -0.038 0.000 0.987 169 G HN 0.974 nan 8.290 nan 0.000 0.547 170 S N -1.024 114.686 115.700 0.016 0.000 2.632 170 S HA 0.647 5.117 4.470 -0.000 0.000 0.289 170 S C 0.829 175.457 174.600 0.045 0.000 1.115 170 S CA 0.285 58.504 58.200 0.031 0.000 0.889 170 S CB 2.028 65.247 63.200 0.032 0.000 1.116 170 S HN 1.717 nan 8.310 nan 0.000 0.486 171 L N 1.446 122.700 121.223 0.051 0.000 2.064 171 L HA -0.182 4.158 4.340 -0.000 0.000 0.216 171 L C 2.472 179.375 176.870 0.056 0.000 1.077 171 L CA 2.570 57.443 54.840 0.055 0.000 0.766 171 L CB -1.258 40.834 42.059 0.055 0.000 0.890 171 L HN 0.935 nan 8.230 nan 0.000 0.435 172 E N -0.440 119.794 120.200 0.056 0.000 2.042 172 E HA -0.048 4.302 4.350 -0.000 0.000 0.189 172 E C 2.139 178.789 176.600 0.084 0.000 0.974 172 E CA 1.109 57.547 56.400 0.063 0.000 0.806 172 E CB -1.145 28.589 29.700 0.058 0.000 0.769 172 E HN 0.449 nan 8.360 nan 0.000 0.451 173 A N 1.435 124.307 122.820 0.087 0.000 2.076 173 A HA -0.189 4.131 4.320 -0.000 0.000 0.220 173 A C 2.285 179.947 177.584 0.130 0.000 1.160 173 A CA 1.877 53.988 52.037 0.124 0.000 0.653 173 A CB -0.579 18.479 19.000 0.097 0.000 0.801 173 A HN 0.142 nan 8.150 nan 0.000 0.455 174 R N -0.328 120.222 120.500 0.084 0.000 2.057 174 R HA 0.070 4.409 4.340 -0.000 0.000 0.229 174 R C 2.401 178.761 176.300 0.101 0.000 1.136 174 R CA 1.608 57.753 56.100 0.075 0.000 0.952 174 R CB -0.703 29.630 30.300 0.054 0.000 0.848 174 R HN 0.398 nan 8.270 nan 0.000 0.430 175 A N 0.977 123.844 122.820 0.078 0.000 1.892 175 A HA -0.226 4.094 4.320 -0.000 0.000 0.218 175 A C 1.892 179.510 177.584 0.056 0.000 1.188 175 A CA 1.906 53.978 52.037 0.058 0.000 0.631 175 A CB -0.881 18.151 19.000 0.053 0.000 0.822 175 A HN 0.440 nan 8.150 nan 0.000 0.447 176 N N -1.870 116.896 118.700 0.110 0.000 2.258 176 N HA -0.214 4.526 4.740 -0.000 0.000 0.187 176 N C 1.517 177.062 175.510 0.059 0.000 1.012 176 N CA 1.918 55.077 53.050 0.182 0.000 0.870 176 N CB -0.355 38.322 38.487 0.316 0.000 0.977 176 N HN 0.771 nan 8.380 nan 0.000 0.434 177 Y N 1.079 121.215 120.300 -0.273 0.000 2.347 177 Y HA 0.107 4.657 4.550 -0.000 0.000 0.294 177 Y C 2.510 178.179 175.900 -0.385 0.000 1.117 177 Y CA 0.694 58.350 58.100 -0.740 0.000 1.184 177 Y CB 0.045 38.165 38.460 -0.566 0.000 1.047 177 Y HN -0.152 nan 8.280 nan 0.000 0.546 178 R N 0.385 120.790 120.500 -0.158 0.000 2.081 178 R HA -0.149 4.191 4.340 -0.000 0.000 0.235 178 R C 1.551 177.740 176.300 -0.186 0.000 1.131 178 R CA 1.716 57.719 56.100 -0.163 0.000 0.960 178 R CB -0.246 30.037 30.300 -0.027 0.000 0.856 178 R HN 0.448 nan 8.270 nan 0.000 0.436 179 D N 0.506 120.832 120.400 -0.123 0.000 2.084 179 D HA -0.132 4.508 4.640 -0.000 0.000 0.194 179 D C 1.487 177.717 176.300 -0.116 0.000 0.990 179 D CA 1.432 55.387 54.000 -0.075 0.000 0.826 179 D CB -0.281 40.513 40.800 -0.011 0.000 0.971 179 D HN 0.196 nan 8.370 nan 0.000 0.453 180 A N 0.337 123.052 122.820 -0.174 0.000 2.277 180 A HA -0.034 4.286 4.320 -0.000 0.000 0.208 180 A C 1.458 178.857 177.584 -0.310 0.000 1.202 180 A CA 0.188 52.122 52.037 -0.171 0.000 0.762 180 A CB -0.732 18.216 19.000 -0.087 0.000 0.770 180 A HN 0.252 nan 8.150 nan 0.000 0.487 181 L N 1.081 122.088 121.223 -0.359 0.000 3.029 181 L HA 0.270 4.610 4.340 -0.000 0.000 0.231 181 L C -0.683 176.099 176.870 -0.145 0.000 1.327 181 L CA -0.445 54.193 54.840 -0.337 0.000 1.166 181 L CB 0.436 42.247 42.059 -0.412 0.000 1.532 181 L HN 0.032 nan 8.230 nan 0.000 0.473 182 V N 2.359 122.226 119.914 -0.078 0.000 2.397 182 V HA 0.133 4.253 4.120 -0.000 0.000 0.262 182 V C 1.082 177.228 176.094 0.087 0.000 1.047 182 V CA -0.171 62.144 62.300 0.025 0.000 1.003 182 V CB 0.621 32.500 31.823 0.092 0.000 1.037 182 V HN 0.619 nan 8.190 nan 0.000 0.480 183 A N 6.269 129.129 122.820 0.067 0.000 2.489 183 A HA 0.282 4.602 4.320 -0.000 0.000 0.289 183 A C 0.001 177.693 177.584 0.180 0.000 1.216 183 A CA -0.102 51.989 52.037 0.091 0.000 0.883 183 A CB -0.644 18.381 19.000 0.040 0.000 1.110 183 A HN 0.743 nan 8.150 nan 0.000 0.523 184 F N 5.286 125.223 119.950 -0.023 0.000 2.512 184 F HA 0.172 4.699 4.527 -0.000 0.000 0.350 184 F C 0.595 176.387 175.800 -0.012 0.000 1.212 184 F CA 0.001 57.992 58.000 -0.015 0.000 1.099 184 F CB -0.141 38.852 39.000 -0.012 0.000 1.238 184 F HN 0.506 nan 8.300 nan 0.000 0.600 185 L N 2.409 123.624 121.223 -0.013 0.000 7.836 185 L HA -0.335 4.005 4.340 -0.000 0.000 0.064 185 L C 0.253 177.130 176.870 0.012 0.000 1.275 185 L CA 0.572 55.396 54.840 -0.027 0.000 1.424 185 L CB -0.960 41.082 42.059 -0.029 0.000 2.916 185 L HN 0.589 nan 8.230 nan 0.000 1.197 186 E N 0.024 120.229 120.200 0.008 0.000 3.625 186 E HA 0.108 4.458 4.350 -0.000 0.000 0.166 186 E C 0.114 176.722 176.600 0.012 0.000 0.978 186 E CA -0.025 56.382 56.400 0.012 0.000 1.429 186 E CB 0.823 30.524 29.700 0.002 0.000 1.100 186 E HN 0.507 nan 8.360 nan 0.000 0.428 225 L N 3.970 125.216 121.223 0.039 0.000 1.947 225 L HA 0.314 4.654 4.340 -0.000 0.000 0.211 225 L C 2.442 179.348 176.870 0.060 0.000 1.098 225 L CA 3.078 57.735 54.840 -0.305 0.000 0.767 225 L CB -0.974 40.720 42.059 -0.609 0.000 0.891 225 L HN 1.363 nan 8.230 nan 0.000 0.436 226 G N -0.515 108.275 108.800 -0.016 0.000 2.960 226 G HA2 -0.532 3.428 3.960 -0.000 0.000 0.269 226 G HA3 -0.532 3.428 3.960 -0.000 0.000 0.269 226 G C 1.112 176.065 174.900 0.087 0.000 1.073 226 G CA 1.673 46.789 45.100 0.027 0.000 0.743 226 G HN 0.655 nan 8.290 nan 0.000 0.661 227 D N -0.490 119.981 120.400 0.120 0.000 2.254 227 D HA -0.166 4.474 4.640 -0.000 0.000 0.201 227 D C 1.816 178.047 176.300 -0.114 0.000 0.998 227 D CA 1.464 55.469 54.000 0.009 0.000 0.885 227 D CB -0.355 40.439 40.800 -0.010 0.000 0.915 227 D HN 0.675 nan 8.370 nan 0.000 0.460 228 Y N -0.121 120.211 120.300 0.054 0.000 2.462 228 Y HA 0.239 4.788 4.550 -0.000 0.000 0.261 228 Y C 0.675 176.592 175.900 0.029 0.000 1.146 228 Y CA -0.522 57.617 58.100 0.064 0.000 1.283 228 Y CB 0.181 38.722 38.460 0.135 0.000 1.090 228 Y HN -0.120 nan 8.280 nan 0.000 0.526 229 L N 2.718 124.012 121.223 0.119 0.000 2.455 229 L HA 0.020 4.359 4.340 -0.000 0.000 0.272 229 L C 0.209 177.110 176.870 0.051 0.000 1.174 229 L CA -0.403 54.474 54.840 0.062 0.000 0.869 229 L CB 0.165 42.239 42.059 0.025 0.000 1.130 229 L HN 0.284 nan 8.230 nan 0.000 0.474 230 D N 2.007 122.437 120.400 0.049 0.000 2.419 230 D HA -0.130 4.510 4.640 -0.000 0.000 0.236 230 D C 0.710 177.036 176.300 0.043 0.000 1.165 230 D CA -0.273 53.752 54.000 0.043 0.000 0.882 230 D CB 1.032 41.856 40.800 0.040 0.000 1.201 230 D HN 0.502 nan 8.370 nan 0.000 0.443 231 E N 0.768 120.991 120.200 0.039 0.000 2.085 231 E HA -0.230 4.119 4.350 -0.000 0.000 0.194 231 E C 1.617 178.252 176.600 0.059 0.000 0.994 231 E CA 1.550 57.976 56.400 0.044 0.000 0.801 231 E CB -0.051 29.670 29.700 0.034 0.000 0.743 231 E HN 0.560 nan 8.360 nan 0.000 0.453 232 E N -0.210 120.024 120.200 0.056 0.000 2.038 232 E HA -0.187 4.163 4.350 -0.000 0.000 0.195 232 E C 2.256 178.916 176.600 0.100 0.000 1.000 232 E CA 1.477 57.920 56.400 0.072 0.000 0.803 232 E CB -0.253 29.480 29.700 0.056 0.000 0.750 232 E HN 0.168 nan 8.360 nan 0.000 0.448 233 S N 0.648 116.391 115.700 0.072 0.000 2.370 233 S HA -0.170 4.300 4.470 -0.000 0.000 0.226 233 S C 1.865 176.552 174.600 0.144 0.000 1.033 233 S CA 1.142 59.387 58.200 0.075 0.000 1.011 233 S CB -0.192 63.018 63.200 0.018 0.000 0.852 233 S HN 0.229 nan 8.310 nan 0.000 0.457 234 R N 1.104 121.674 120.500 0.118 0.000 2.083 234 R HA -0.108 4.232 4.340 -0.000 0.000 0.237 234 R C 2.376 178.783 176.300 0.178 0.000 1.137 234 R CA 1.525 57.714 56.100 0.148 0.000 0.951 234 R CB -0.393 29.966 30.300 0.099 0.000 0.851 234 R HN 0.508 nan 8.270 nan 0.000 0.434 235 E N -0.248 120.033 120.200 0.135 0.000 2.038 235 E HA -0.256 4.094 4.350 -0.000 0.000 0.195 235 E C 2.002 178.683 176.600 0.135 0.000 1.000 235 E CA 1.531 57.996 56.400 0.109 0.000 0.803 235 E CB -0.219 29.530 29.700 0.082 0.000 0.750 235 E HN 0.452 nan 8.360 nan 0.000 0.448 236 H N -0.405 118.712 119.070 0.079 0.000 2.319 236 H HA -0.216 4.340 4.556 -0.000 0.000 0.297 236 H C 1.901 177.301 175.328 0.120 0.000 1.097 236 H CA 2.008 58.104 56.048 0.080 0.000 1.285 236 H CB -0.145 29.668 29.762 0.085 0.000 1.368 236 H HN 0.128 nan 8.280 nan 0.000 0.495 237 F N 0.877 120.926 119.950 0.165 0.000 2.075 237 F HA -0.154 4.373 4.527 -0.000 0.000 0.297 237 F C 2.574 178.365 175.800 -0.015 0.000 1.113 237 F CA 1.487 59.533 58.000 0.077 0.000 1.218 237 F CB -1.226 37.812 39.000 0.064 0.000 0.984 237 F HN 0.290 nan 8.300 nan 0.000 0.472 238 A N 0.195 122.982 122.820 -0.055 0.000 1.908 238 A HA -0.115 4.205 4.320 -0.000 0.000 0.218 238 A C 2.546 180.016 177.584 -0.190 0.000 1.181 238 A CA 1.846 53.780 52.037 -0.171 0.000 0.627 238 A CB -1.822 17.152 19.000 -0.042 0.000 0.818 238 A HN 0.523 nan 8.150 nan 0.000 0.445 239 G N -0.139 108.576 108.800 -0.142 0.000 2.440 239 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.218 239 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.218 239 G C 1.503 176.272 174.900 -0.217 0.000 1.154 239 G CA 1.335 46.338 45.100 -0.163 0.000 0.767 239 G HN 0.589 nan 8.290 nan 0.000 0.552 240 L N 0.517 121.579 121.223 -0.268 0.000 2.027 240 L HA -0.002 4.338 4.340 -0.000 0.000 0.206 240 L C 2.737 179.371 176.870 -0.394 0.000 1.074 240 L CA 1.768 56.430 54.840 -0.296 0.000 0.745 240 L CB -0.886 41.029 42.059 -0.240 0.000 0.898 240 L HN 0.226 nan 8.230 nan 0.000 0.433 241 C N 0.545 119.521 119.300 -0.541 0.000 2.422 241 C HA -0.137 4.323 4.460 -0.000 0.000 0.279 241 C C 2.733 177.529 174.990 -0.323 0.000 1.305 241 C CA 1.149 59.798 59.018 -0.614 0.000 1.757 241 C CB -1.213 26.157 27.740 -0.618 0.000 1.962 241 C HN 0.697 nan 8.230 nan 0.000 0.499 242 K N 0.248 120.516 120.400 -0.221 0.000 2.155 242 K HA -0.058 4.262 4.320 -0.000 0.000 0.203 242 K C 1.665 178.195 176.600 -0.116 0.000 1.052 242 K CA 1.217 57.430 56.287 -0.123 0.000 0.948 242 K CB -0.396 32.046 32.500 -0.097 0.000 0.728 242 K HN 0.215 nan 8.250 nan 0.000 0.448 243 L N 1.110 122.241 121.223 -0.154 0.000 2.093 243 L HA -0.056 4.284 4.340 -0.000 0.000 0.208 243 L C 2.093 178.889 176.870 -0.122 0.000 1.085 243 L CA 1.130 55.894 54.840 -0.127 0.000 0.755 243 L CB -0.534 41.441 42.059 -0.139 0.000 0.904 243 L HN 0.152 nan 8.230 nan 0.000 0.435 244 L N -1.027 120.085 121.223 -0.186 0.000 2.201 244 L HA -0.129 4.211 4.340 -0.000 0.000 0.212 244 L C 2.362 179.210 176.870 -0.037 0.000 1.105 244 L CA 1.337 56.080 54.840 -0.161 0.000 0.775 244 L CB -0.678 41.166 42.059 -0.359 0.000 0.913 244 L HN 0.334 nan 8.230 nan 0.000 0.440 245 E N -0.998 119.193 120.200 -0.016 0.000 2.021 245 E HA -0.105 4.245 4.350 -0.000 0.000 0.189 245 E C 2.071 178.677 176.600 0.010 0.000 0.980 245 E CA 1.173 57.598 56.400 0.041 0.000 0.803 245 E CB -0.135 29.592 29.700 0.045 0.000 0.766 245 E HN 0.310 nan 8.360 nan 0.000 0.449 246 S N 0.636 116.328 115.700 -0.014 0.000 2.484 246 S HA -0.174 4.296 4.470 -0.000 0.000 0.250 246 S C 1.519 176.113 174.600 -0.010 0.000 0.995 246 S CA 0.987 59.178 58.200 -0.015 0.000 0.967 246 S CB -0.074 63.109 63.200 -0.028 0.000 0.752 246 S HN 0.329 nan 8.310 nan 0.000 0.517 247 A N -0.223 122.593 122.820 -0.006 0.000 2.538 247 A HA 0.610 4.930 4.320 -0.000 0.000 0.269 247 A C 1.357 178.954 177.584 0.023 0.000 1.231 247 A CA 0.303 52.342 52.037 0.002 0.000 0.948 247 A CB -0.343 18.652 19.000 -0.009 0.000 1.110 247 A HN 0.798 nan 8.150 nan 0.000 0.529 248 G N 0.132 108.951 108.800 0.032 0.000 2.203 248 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.263 248 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.263 248 G C 0.078 175.025 174.900 0.080 0.000 1.012 248 G CA 0.593 45.722 45.100 0.049 0.000 0.749 248 G HN 0.551 nan 8.290 nan 0.000 0.512 249 I N 1.385 122.010 120.570 0.092 0.000 2.301 249 I HA 0.475 4.645 4.170 -0.000 0.000 0.292 249 I C 1.037 177.268 176.117 0.190 0.000 1.046 249 I CA -0.271 61.111 61.300 0.137 0.000 1.282 249 I CB 1.204 39.263 38.000 0.099 0.000 1.409 249 I HN 0.291 nan 8.210 nan 0.000 0.484 250 A N 7.729 130.653 122.820 0.173 0.000 2.401 250 A HA 0.500 4.820 4.320 -0.000 0.000 0.259 250 A C -0.750 176.934 177.584 0.166 0.000 1.103 250 A CA 0.083 52.198 52.037 0.131 0.000 0.789 250 A CB 0.062 19.100 19.000 0.064 0.000 1.035 250 A HN 0.697 nan 8.150 nan 0.000 0.491 251 Y N -0.926 119.340 120.300 -0.056 0.000 2.597 251 Y HA 0.786 5.335 4.550 -0.000 0.000 0.340 251 Y C -0.492 175.374 175.900 -0.058 0.000 1.097 251 Y CA -1.136 56.911 58.100 -0.088 0.000 1.037 251 Y CB 0.890 39.275 38.460 -0.125 0.000 1.305 251 Y HN 0.395 nan 8.280 nan 0.000 0.463 252 T N 2.191 116.751 114.554 0.010 0.000 2.824 252 T HA 0.498 4.848 4.350 -0.000 0.000 0.282 252 T C -1.142 173.625 174.700 0.112 0.000 0.993 252 T CA -0.719 61.364 62.100 -0.028 0.000 0.967 252 T CB 1.536 70.391 68.868 -0.021 0.000 0.960 252 T HN 0.592 nan 8.240 nan 0.000 0.441 253 V N 4.441 124.427 119.914 0.119 0.000 2.304 253 V HA 0.291 4.411 4.120 -0.000 0.000 0.262 253 V C 0.322 176.479 176.094 0.104 0.000 1.061 253 V CA -0.889 61.532 62.300 0.201 0.000 0.872 253 V CB 0.047 32.032 31.823 0.271 0.000 1.077 253 V HN 0.756 nan 8.190 nan 0.000 0.480 254 N N 4.018 122.761 118.700 0.072 0.000 2.414 254 N HA 0.172 4.912 4.740 -0.000 0.000 0.256 254 N C 0.763 176.274 175.510 0.001 0.000 1.029 254 N CA -0.015 53.051 53.050 0.027 0.000 0.948 254 N CB 1.377 39.872 38.487 0.012 0.000 1.102 254 N HN 0.577 nan 8.380 nan 0.000 0.496 255 Q N 2.187 121.982 119.800 -0.007 0.000 2.451 255 Q HA 0.129 4.469 4.340 -0.000 0.000 0.206 255 Q C 0.275 176.243 176.000 -0.054 0.000 0.947 255 Q CA 0.564 56.342 55.803 -0.042 0.000 0.937 255 Q CB 0.411 29.131 28.738 -0.030 0.000 1.025 255 Q HN 0.494 nan 8.270 nan 0.000 0.511 256 R N 0.533 121.015 120.500 -0.030 0.000 2.696 256 R HA 0.257 4.597 4.340 -0.000 0.000 0.355 256 R C -0.583 175.700 176.300 -0.029 0.000 1.138 256 R CA -0.179 55.906 56.100 -0.025 0.000 1.059 256 R CB 0.392 30.689 30.300 -0.005 0.000 1.380 256 R HN 0.105 nan 8.270 nan 0.000 0.578 257 L N 1.885 123.083 121.223 -0.043 0.000 2.295 257 L HA 0.284 4.624 4.340 -0.000 0.000 0.288 257 L C -0.887 175.950 176.870 -0.056 0.000 1.079 257 L CA -0.306 54.506 54.840 -0.046 0.000 0.830 257 L CB 0.934 42.963 42.059 -0.049 0.000 1.200 257 L HN -0.090 nan 8.230 nan 0.000 0.438 258 V N 5.802 125.692 119.914 -0.041 0.000 2.417 258 V HA 0.497 4.617 4.120 -0.000 0.000 0.291 258 V C 0.102 176.177 176.094 -0.032 0.000 1.024 258 V CA -0.858 61.423 62.300 -0.031 0.000 0.861 258 V CB 1.690 33.505 31.823 -0.012 0.000 0.985 258 V HN 0.674 nan 8.190 nan 0.000 0.436 259 R N 3.058 123.541 120.500 -0.027 0.000 2.500 259 R HA 0.378 4.718 4.340 -0.000 0.000 0.275 259 R C 1.304 177.628 176.300 0.039 0.000 1.051 259 R CA -0.135 55.960 56.100 -0.009 0.000 1.088 259 R CB 0.836 31.113 30.300 -0.038 0.000 1.063 259 R HN 0.839 nan 8.270 nan 0.000 0.511 260 G N 1.260 110.080 108.800 0.034 0.000 2.848 260 G HA2 0.054 4.014 3.960 -0.000 0.000 0.208 260 G HA3 0.054 4.014 3.960 -0.000 0.000 0.208 260 G C 0.234 175.117 174.900 -0.028 0.000 1.152 260 G CA 0.211 45.317 45.100 0.009 0.000 0.789 260 G HN 0.151 nan 8.290 nan 0.000 0.531 261 L N -0.353 120.827 121.223 -0.071 0.000 2.330 261 L HA 0.463 4.803 4.340 -0.000 0.000 0.271 261 L C -0.545 176.149 176.870 -0.294 0.000 1.013 261 L CA -0.653 54.006 54.840 -0.301 0.000 0.816 261 L CB 1.467 43.061 42.059 -0.776 0.000 1.287 261 L HN -0.080 nan 8.230 nan 0.000 0.435 262 D N 0.246 120.485 120.400 -0.267 0.000 2.561 262 D HA 0.068 4.708 4.640 -0.000 0.000 0.232 262 D C 0.469 176.733 176.300 -0.059 0.000 1.198 262 D CA 0.263 54.198 54.000 -0.109 0.000 0.826 262 D CB 0.062 40.849 40.800 -0.022 0.000 0.992 262 D HN 0.524 nan 8.370 nan 0.000 0.490 263 Y N -2.554 117.638 120.300 -0.179 0.000 2.500 263 Y HA 0.342 4.892 4.550 -0.000 0.000 0.246 263 Y C -0.538 175.282 175.900 -0.133 0.000 1.146 263 Y CA -1.107 56.894 58.100 -0.165 0.000 1.230 263 Y CB -1.180 37.157 38.460 -0.205 0.000 1.214 263 Y HN -0.198 nan 8.280 nan 0.000 0.526 264 Y N 3.777 124.267 120.300 0.317 0.000 2.301 264 Y HA 0.375 4.925 4.550 -0.000 0.000 0.328 264 Y C 0.500 176.495 175.900 0.158 0.000 1.242 264 Y CA -1.031 57.234 58.100 0.275 0.000 1.323 264 Y CB 0.645 39.205 38.460 0.167 0.000 1.266 264 Y HN 0.288 nan 8.280 nan 0.000 0.527 265 N N 1.724 120.615 118.700 0.318 0.000 2.331 265 N HA 0.482 5.222 4.740 -0.000 0.000 0.280 265 N C -0.482 175.082 175.510 0.090 0.000 1.155 265 N CA -0.765 52.375 53.050 0.150 0.000 0.822 265 N CB 2.293 40.840 38.487 0.100 0.000 1.619 265 N HN 0.696 nan 8.380 nan 0.000 0.476 266 R N -0.760 119.743 120.500 0.005 0.000 3.988 266 R HA -0.169 4.171 4.340 -0.000 0.000 0.345 266 R C -0.398 175.897 176.300 -0.010 0.000 0.241 266 R CA 1.650 57.718 56.100 -0.053 0.000 1.136 266 R CB -2.654 27.548 30.300 -0.162 0.000 1.014 266 R HN 0.807 nan 8.270 nan 0.000 0.555 267 T N 2.557 117.158 114.554 0.079 0.000 2.750 267 T HA 0.282 4.632 4.350 -0.000 0.000 0.277 267 T C 0.114 174.904 174.700 0.150 0.000 0.996 267 T CA 0.200 62.403 62.100 0.172 0.000 1.195 267 T CB 0.246 69.274 68.868 0.266 0.000 0.963 267 T HN 0.322 nan 8.240 nan 0.000 0.516 268 V N 5.982 125.951 119.914 0.091 0.000 2.623 268 V HA 0.806 4.926 4.120 -0.000 0.000 0.304 268 V C -1.032 175.118 176.094 0.094 0.000 1.054 268 V CA -0.874 61.400 62.300 -0.043 0.000 0.882 268 V CB 1.366 33.098 31.823 -0.152 0.000 1.002 268 V HN 0.820 nan 8.190 nan 0.000 0.424 269 F N 3.307 123.172 119.950 -0.141 0.000 2.668 269 F HA 0.868 5.394 4.527 -0.000 0.000 0.309 269 F C -0.945 174.801 175.800 -0.090 0.000 1.117 269 F CA -0.829 57.105 58.000 -0.110 0.000 0.951 269 F CB 1.678 40.612 39.000 -0.111 0.000 1.323 269 F HN 0.414 nan 8.300 nan 0.000 0.451 270 E N 0.742 120.947 120.200 0.009 0.000 2.383 270 E HA 0.291 4.641 4.350 -0.000 0.000 0.275 270 E C -2.303 174.303 176.600 0.010 0.000 0.918 270 E CA -0.664 55.724 56.400 -0.020 0.000 0.764 270 E CB 2.832 32.518 29.700 -0.023 0.000 1.252 270 E HN 0.735 nan 8.360 nan 0.000 0.449 271 W N 1.836 123.222 121.300 0.144 0.000 2.336 271 W HA 0.396 5.056 4.660 -0.000 0.000 0.315 271 W C -0.713 175.810 176.519 0.007 0.000 1.016 271 W CA -0.433 56.988 57.345 0.128 0.000 1.318 271 W CB 1.278 30.873 29.460 0.225 0.000 1.247 271 W HN 0.156 nan 8.180 nan 0.000 0.414 272 V N 2.522 122.545 119.914 0.181 0.000 2.834 272 V HA 0.583 4.703 4.120 -0.000 0.000 0.313 272 V C 0.289 176.405 176.094 0.037 0.000 1.060 272 V CA -0.565 61.782 62.300 0.079 0.000 0.989 272 V CB 1.621 33.468 31.823 0.040 0.000 1.041 272 V HN 0.409 nan 8.190 nan 0.000 0.459 273 T N 0.675 115.229 114.554 -0.000 0.000 2.919 273 T HA 0.265 4.615 4.350 -0.000 0.000 0.282 273 T C 1.222 175.916 174.700 -0.009 0.000 1.020 273 T CA -0.468 61.618 62.100 -0.024 0.000 0.994 273 T CB 0.975 69.813 68.868 -0.050 0.000 1.180 273 T HN 0.822 nan 8.240 nan 0.000 0.566 274 N N 1.254 119.953 118.700 -0.002 0.000 2.165 274 N HA -0.273 4.467 4.740 -0.000 0.000 0.175 274 N C 1.347 176.856 175.510 -0.002 0.000 0.833 274 N CA 2.854 55.908 53.050 0.006 0.000 0.886 274 N CB -0.615 37.883 38.487 0.017 0.000 1.015 274 N HN 0.745 nan 8.380 nan 0.000 0.938 275 S N -3.145 112.552 115.700 -0.005 0.000 6.084 275 S HA 0.058 4.528 4.470 -0.000 0.000 0.113 275 S C 0.108 174.701 174.600 -0.010 0.000 1.162 275 S CA 0.140 58.336 58.200 -0.007 0.000 1.406 275 S CB 0.303 63.500 63.200 -0.006 0.000 1.969 275 S HN 0.034 nan 8.310 nan 0.000 0.555 276 L N 2.627 123.843 121.223 -0.011 0.000 4.071 276 L HA -0.114 4.226 4.340 -0.000 0.000 0.471 276 L C 1.041 177.901 176.870 -0.018 0.000 1.096 276 L CA 1.025 55.856 54.840 -0.014 0.000 0.865 276 L CB -2.939 39.110 42.059 -0.016 0.000 1.802 276 L HN 0.923 nan 8.230 nan 0.000 0.946 277 G N 0.126 108.917 108.800 -0.016 0.000 2.487 277 G HA2 0.013 3.973 3.960 -0.000 0.000 0.265 277 G HA3 0.013 3.973 3.960 -0.000 0.000 0.265 277 G C 0.979 175.864 174.900 -0.025 0.000 0.661 277 G CA 1.014 46.103 45.100 -0.018 0.000 1.031 277 G HN 1.075 nan 8.290 nan 0.000 0.296 278 S N 0.872 116.556 115.700 -0.027 0.000 3.305 278 S HA -0.158 4.312 4.470 -0.000 0.000 0.279 278 S C 0.782 175.353 174.600 -0.049 0.000 1.292 278 S CA 1.887 60.065 58.200 -0.036 0.000 0.914 278 S CB -1.653 61.524 63.200 -0.039 0.000 1.125 278 S HN 1.966 nan 8.310 nan 0.000 0.668 279 Q N -2.512 117.264 119.800 -0.040 0.000 1.892 279 Q HA 0.103 4.443 4.340 -0.000 0.000 0.158 279 Q C 0.617 176.602 176.000 -0.026 0.000 0.611 279 Q CA 0.115 55.892 55.803 -0.044 0.000 0.916 279 Q CB -0.855 27.844 28.738 -0.065 0.000 1.327 279 Q HN 0.464 nan 8.270 nan 0.000 0.327 280 G N 1.197 109.986 108.800 -0.018 0.000 2.838 280 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.210 280 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.210 280 G C 0.595 175.495 174.900 -0.000 0.000 1.153 280 G CA 1.059 46.151 45.100 -0.012 0.000 0.778 280 G HN 0.316 nan 8.290 nan 0.000 0.539 281 T N -0.385 114.175 114.554 0.010 0.000 2.749 281 T HA 0.362 4.712 4.350 -0.000 0.000 0.295 281 T C 1.217 175.949 174.700 0.053 0.000 0.936 281 T CA -0.428 61.697 62.100 0.041 0.000 1.060 281 T CB 1.681 70.571 68.868 0.038 0.000 0.904 281 T HN -0.140 nan 8.240 nan 0.000 0.500 282 V N 3.587 123.544 119.914 0.072 0.000 2.825 282 V HA 0.222 4.342 4.120 -0.000 0.000 0.246 282 V C 1.228 177.429 176.094 0.178 0.000 1.068 282 V CA 0.109 62.449 62.300 0.067 0.000 1.088 282 V CB 0.294 32.081 31.823 -0.059 0.000 0.733 282 V HN 1.005 nan 8.190 nan 0.000 0.468 283 C N 0.244 119.707 119.300 0.272 0.000 2.686 283 C HA 0.849 5.308 4.460 -0.000 0.000 0.318 283 C C -0.352 174.785 174.990 0.245 0.000 1.160 283 C CA -0.107 59.116 59.018 0.341 0.000 1.396 283 C CB 0.540 28.570 27.740 0.483 0.000 1.924 283 C HN 0.522 nan 8.230 nan 0.000 0.471 284 A N 3.559 126.448 122.820 0.115 0.000 2.587 284 A HA 1.038 5.358 4.320 -0.000 0.000 0.293 284 A C -0.239 177.194 177.584 -0.252 0.000 1.087 284 A CA 0.294 52.233 52.037 -0.163 0.000 0.692 284 A CB 1.503 20.463 19.000 -0.067 0.000 1.291 284 A HN 2.259 nan 8.150 nan 0.000 0.407 285 G N -1.264 107.114 108.800 -0.704 0.000 2.348 285 G HA2 0.859 4.819 3.960 -0.000 0.000 0.296 285 G HA3 0.859 4.819 3.960 -0.000 0.000 0.296 285 G C -0.179 174.384 174.900 -0.561 0.000 1.258 285 G CA 0.495 45.365 45.100 -0.384 0.000 0.868 285 G HN 2.553 nan 8.290 nan 0.000 0.488 286 G N -1.429 107.432 108.800 0.101 0.000 2.341 286 G HA2 0.484 4.443 3.960 -0.000 0.000 0.293 286 G HA3 0.484 4.443 3.960 -0.000 0.000 0.293 286 G C -1.231 174.036 174.900 0.612 0.000 1.298 286 G CA -0.822 44.427 45.100 0.249 0.000 0.868 286 G HN 0.571 nan 8.290 nan 0.000 0.540 287 R N -0.703 120.092 120.500 0.492 0.000 2.531 287 R HA 0.487 4.827 4.340 -0.000 0.000 0.273 287 R C -0.755 175.877 176.300 0.553 0.000 1.070 287 R CA -0.130 56.194 56.100 0.373 0.000 1.112 287 R CB 0.644 31.043 30.300 0.164 0.000 1.049 287 R HN 0.815 nan 8.270 nan 0.000 0.508 288 Y N -1.147 119.258 120.300 0.176 0.000 2.640 288 Y HA 0.243 4.792 4.550 -0.000 0.000 0.295 288 Y C -0.155 175.771 175.900 0.044 0.000 1.023 288 Y CA -0.999 57.157 58.100 0.093 0.000 1.163 288 Y CB -0.097 38.307 38.460 -0.093 0.000 1.145 288 Y HN 0.424 nan 8.280 nan 0.000 0.609 289 D N 2.414 122.820 120.400 0.012 0.000 2.156 289 D HA -0.149 4.491 4.640 -0.000 0.000 0.190 289 D C 1.593 177.919 176.300 0.043 0.000 0.998 289 D CA 2.258 56.242 54.000 -0.027 0.000 0.842 289 D CB -0.353 40.443 40.800 -0.007 0.000 0.974 289 D HN 0.689 nan 8.370 nan 0.000 0.447 290 G N 0.233 109.080 108.800 0.078 0.000 3.316 290 G HA2 0.273 4.233 3.960 -0.000 0.000 0.255 290 G HA3 0.273 4.233 3.960 -0.000 0.000 0.255 290 G C 0.728 175.695 174.900 0.112 0.000 0.880 290 G CA -0.184 44.968 45.100 0.087 0.000 1.956 290 G HN 0.103 nan 8.290 nan 0.000 0.634 291 L N 1.336 122.649 121.223 0.150 0.000 2.547 291 L HA 0.271 4.611 4.340 -0.000 0.000 0.218 291 L C 2.429 179.366 176.870 0.112 0.000 1.048 291 L CA 1.086 56.010 54.840 0.140 0.000 0.859 291 L CB 0.002 42.166 42.059 0.175 0.000 1.128 291 L HN 0.084 nan 8.230 nan 0.000 0.483 292 V N 0.352 120.354 119.914 0.147 0.000 2.332 292 V HA -0.297 3.823 4.120 -0.000 0.000 0.248 292 V C 2.520 178.644 176.094 0.049 0.000 1.055 292 V CA 2.232 64.588 62.300 0.093 0.000 1.038 292 V CB -0.601 31.283 31.823 0.103 0.000 0.651 292 V HN 0.542 nan 8.190 nan 0.000 0.450 293 E N -0.157 120.078 120.200 0.058 0.000 2.001 293 E HA -0.308 4.042 4.350 -0.000 0.000 0.195 293 E C 2.369 178.985 176.600 0.027 0.000 1.002 293 E CA 1.611 58.034 56.400 0.039 0.000 0.819 293 E CB -0.264 29.464 29.700 0.047 0.000 0.769 293 E HN 0.605 nan 8.360 nan 0.000 0.454 294 Q N -0.282 119.541 119.800 0.039 0.000 2.344 294 Q HA -0.197 4.143 4.340 -0.000 0.000 0.212 294 Q C 0.766 176.774 176.000 0.013 0.000 0.991 294 Q CA 0.925 56.747 55.803 0.032 0.000 0.897 294 Q CB 0.113 28.881 28.738 0.050 0.000 0.915 294 Q HN 0.180 nan 8.270 nan 0.000 0.438 295 L N -0.527 120.699 121.223 0.005 0.000 2.872 295 L HA 0.283 4.623 4.340 -0.000 0.000 0.245 295 L C 0.995 177.844 176.870 -0.034 0.000 1.211 295 L CA 1.003 55.830 54.840 -0.021 0.000 1.013 295 L CB 0.255 42.296 42.059 -0.030 0.000 1.326 295 L HN 0.302 nan 8.230 nan 0.000 0.525 296 G N -1.205 107.580 108.800 -0.025 0.000 2.159 296 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.256 296 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.256 296 G C 0.680 175.553 174.900 -0.046 0.000 0.977 296 G CA 0.109 45.186 45.100 -0.038 0.000 0.652 296 G HN 0.650 nan 8.290 nan 0.000 0.531 297 G N -1.044 107.737 108.800 -0.032 0.000 2.568 297 G HA2 0.633 4.593 3.960 -0.000 0.000 0.293 297 G HA3 0.633 4.593 3.960 -0.000 0.000 0.293 297 G C -0.227 174.666 174.900 -0.010 0.000 1.347 297 G CA -0.891 44.188 45.100 -0.035 0.000 1.039 297 G HN 0.276 nan 8.290 nan 0.000 0.523 298 R N 0.160 120.671 120.500 0.018 0.000 2.207 298 R HA 0.460 4.800 4.340 -0.000 0.000 0.334 298 R C 0.377 176.746 176.300 0.115 0.000 1.013 298 R CA -0.561 55.585 56.100 0.077 0.000 0.858 298 R CB 0.771 31.161 30.300 0.150 0.000 1.094 298 R HN 0.683 nan 8.270 nan 0.000 0.457 299 A N 2.818 125.691 122.820 0.088 0.000 2.589 299 A HA -0.035 4.285 4.320 -0.000 0.000 0.265 299 A C 0.375 178.010 177.584 0.085 0.000 0.973 299 A CA 1.177 53.262 52.037 0.079 0.000 0.902 299 A CB -0.188 18.851 19.000 0.064 0.000 0.846 299 A HN 0.636 nan 8.150 nan 0.000 0.489 300 T N 4.392 118.996 114.554 0.083 0.000 3.012 300 T HA 0.591 4.941 4.350 -0.000 0.000 0.330 300 T C -3.121 171.614 174.700 0.058 0.000 1.321 300 T CA -1.111 61.036 62.100 0.080 0.000 1.067 300 T CB 1.419 70.354 68.868 0.112 0.000 1.235 300 T HN 0.358 nan 8.240 nan 0.000 0.479 301 P HA 0.541 nan 4.420 nan 0.000 0.269 301 P C -1.551 175.665 177.300 -0.141 0.000 1.209 301 P CA -0.220 62.854 63.100 -0.043 0.000 0.776 301 P CB 0.589 32.278 31.700 -0.019 0.000 0.876 302 A N 1.664 124.277 122.820 -0.345 0.000 2.566 302 A HA 0.659 4.979 4.320 -0.000 0.000 0.297 302 A C -1.212 175.902 177.584 -0.784 0.000 1.059 302 A CA -0.511 51.062 52.037 -0.774 0.000 0.691 302 A CB 1.186 19.423 19.000 -1.271 0.000 1.282 302 A HN 0.316 nan 8.150 nan 0.000 0.401 303 V N -0.816 118.771 119.914 -0.544 0.000 2.971 303 V HA 1.048 5.168 4.120 -0.000 0.000 0.309 303 V C 0.185 176.323 176.094 0.074 0.000 1.130 303 V CA 0.007 62.260 62.300 -0.078 0.000 0.964 303 V CB 1.200 33.062 31.823 0.066 0.000 1.029 303 V HN 2.230 nan 8.190 nan 0.000 0.427 304 G N 1.357 110.380 108.800 0.372 0.000 2.489 304 G HA2 0.911 4.871 3.960 -0.000 0.000 0.305 304 G HA3 0.911 4.871 3.960 -0.000 0.000 0.305 304 G C -1.664 173.483 174.900 0.412 0.000 1.311 304 G CA 0.042 45.303 45.100 0.269 0.000 0.813 304 G HN 1.985 nan 8.290 nan 0.000 0.480 305 F N -2.619 117.517 119.950 0.310 0.000 2.858 305 F HA 0.918 5.445 4.527 -0.000 0.000 0.319 305 F C -0.746 175.201 175.800 0.245 0.000 1.166 305 F CA -1.347 56.794 58.000 0.236 0.000 0.899 305 F CB 1.157 40.323 39.000 0.276 0.000 1.332 305 F HN 1.480 nan 8.300 nan 0.000 0.461 306 A N 1.919 125.160 122.820 0.701 0.000 2.520 306 A HA 0.771 5.090 4.320 -0.000 0.000 0.298 306 A C -1.725 176.190 177.584 0.551 0.000 1.051 306 A CA -0.595 51.788 52.037 0.576 0.000 0.690 306 A CB 1.898 21.164 19.000 0.444 0.000 1.281 306 A HN 1.209 nan 8.150 nan 0.000 0.402 307 M N 2.268 122.169 119.600 0.501 0.000 2.364 307 M HA 0.625 5.105 4.480 -0.000 0.000 0.334 307 M C 0.269 176.751 176.300 0.304 0.000 1.107 307 M CA -0.298 55.226 55.300 0.373 0.000 0.988 307 M CB 1.602 34.406 32.600 0.340 0.000 1.673 307 M HN 0.885 nan 8.290 nan 0.000 0.441 308 G N 4.982 113.936 108.800 0.257 0.000 2.394 308 G HA2 0.340 4.300 3.960 -0.000 0.000 0.298 308 G HA3 0.340 4.300 3.960 -0.000 0.000 0.298 308 G C 0.543 175.562 174.900 0.198 0.000 1.087 308 G CA -0.497 44.768 45.100 0.275 0.000 1.035 308 G HN 0.950 nan 8.290 nan 0.000 0.420 309 L N 1.825 123.188 121.223 0.232 0.000 2.079 309 L HA -0.144 4.196 4.340 -0.000 0.000 0.210 309 L C 2.752 179.616 176.870 -0.011 0.000 1.081 309 L CA 1.225 56.104 54.840 0.065 0.000 0.752 309 L CB -0.143 42.022 42.059 0.177 0.000 0.896 309 L HN 0.460 nan 8.230 nan 0.000 0.433 310 E N 0.009 120.395 120.200 0.310 0.000 2.085 310 E HA -0.213 4.137 4.350 -0.000 0.000 0.194 310 E C 2.292 178.971 176.600 0.132 0.000 0.994 310 E CA 1.246 57.838 56.400 0.321 0.000 0.801 310 E CB -0.080 29.861 29.700 0.402 0.000 0.743 310 E HN 0.355 nan 8.360 nan 0.000 0.453 311 R N -0.048 120.525 120.500 0.122 0.000 2.092 311 R HA -0.090 4.250 4.340 -0.000 0.000 0.231 311 R C 2.420 178.675 176.300 -0.074 0.000 1.119 311 R CA 0.922 57.047 56.100 0.042 0.000 0.970 311 R CB -0.424 29.903 30.300 0.045 0.000 0.864 311 R HN 0.145 nan 8.270 nan 0.000 0.440 312 L N 0.823 121.970 121.223 -0.126 0.000 2.017 312 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 312 L C 2.120 178.797 176.870 -0.322 0.000 1.073 312 L CA 1.515 56.219 54.840 -0.227 0.000 0.745 312 L CB -0.275 41.640 42.059 -0.241 0.000 0.894 312 L HN -0.107 nan 8.230 nan 0.000 0.432 313 V N -0.370 119.287 119.914 -0.429 0.000 2.233 313 V HA -0.331 3.789 4.120 -0.000 0.000 0.247 313 V C 2.547 178.471 176.094 -0.284 0.000 1.050 313 V CA 1.969 63.967 62.300 -0.504 0.000 1.010 313 V CB -0.784 30.576 31.823 -0.772 0.000 0.637 313 V HN 0.376 nan 8.190 nan 0.000 0.444 314 L N -0.773 120.360 121.223 -0.149 0.000 2.043 314 L HA -0.200 4.140 4.340 -0.000 0.000 0.212 314 L C 2.267 179.059 176.870 -0.130 0.000 1.075 314 L CA 1.821 56.615 54.840 -0.077 0.000 0.752 314 L CB -1.184 40.878 42.059 0.005 0.000 0.891 314 L HN 0.352 nan 8.230 nan 0.000 0.432 315 L N -1.136 119.986 121.223 -0.168 0.000 1.994 315 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 315 L C 2.412 179.125 176.870 -0.261 0.000 1.071 315 L CA 1.586 56.306 54.840 -0.201 0.000 0.745 315 L CB -0.666 41.261 42.059 -0.220 0.000 0.892 315 L HN 0.023 nan 8.230 nan 0.000 0.431 316 V N -0.179 119.546 119.914 -0.316 0.000 2.407 316 V HA -0.299 3.821 4.120 -0.000 0.000 0.248 316 V C 2.504 178.386 176.094 -0.353 0.000 1.055 316 V CA 1.926 63.983 62.300 -0.404 0.000 1.049 316 V CB -0.695 30.778 31.823 -0.583 0.000 0.662 316 V HN 0.586 nan 8.190 nan 0.000 0.455 317 Q N -1.068 118.574 119.800 -0.265 0.000 2.472 317 Q HA 0.049 4.388 4.340 -0.000 0.000 0.208 317 Q C 2.066 178.000 176.000 -0.109 0.000 0.958 317 Q CA 1.047 56.762 55.803 -0.147 0.000 0.932 317 Q CB 0.037 28.724 28.738 -0.086 0.000 1.007 317 Q HN 0.710 nan 8.270 nan 0.000 0.508 318 A N -0.368 122.362 122.820 -0.150 0.000 1.963 318 A HA 0.029 4.348 4.320 -0.000 0.000 0.207 318 A C 2.057 179.530 177.584 -0.185 0.000 1.243 318 A CA 0.179 52.136 52.037 -0.134 0.000 0.728 318 A CB -0.008 18.914 19.000 -0.129 0.000 0.895 318 A HN 0.148 nan 8.150 nan 0.000 0.467 319 V N 1.278 121.018 119.914 -0.290 0.000 2.548 319 V HA -0.117 4.003 4.120 -0.000 0.000 0.249 319 V C 0.562 176.535 176.094 -0.203 0.000 1.055 319 V CA 1.508 63.570 62.300 -0.398 0.000 1.065 319 V CB -0.814 30.641 31.823 -0.614 0.000 0.681 319 V HN 0.564 nan 8.190 nan 0.000 0.462 320 N N 0.240 118.854 118.700 -0.143 0.000 2.886 320 N HA 0.219 4.959 4.740 -0.000 0.000 0.285 320 N C -2.306 173.214 175.510 0.017 0.000 1.706 320 N CA -1.152 51.880 53.050 -0.031 0.000 0.904 320 N CB 1.274 39.776 38.487 0.024 0.000 1.224 320 N HN 0.246 nan 8.380 nan 0.000 0.488 321 P HA -0.167 nan 4.420 nan 0.000 0.225 321 P C 0.729 178.056 177.300 0.044 0.000 1.141 321 P CA 1.271 64.379 63.100 0.013 0.000 0.774 321 P CB 0.302 32.002 31.700 0.000 0.000 0.760 322 E N -2.587 117.653 120.200 0.066 0.000 2.526 322 E HA 0.135 4.485 4.350 -0.000 0.000 0.208 322 E C 0.273 176.929 176.600 0.093 0.000 0.997 322 E CA -0.664 55.774 56.400 0.063 0.000 0.961 322 E CB -0.246 29.475 29.700 0.035 0.000 1.030 322 E HN 0.198 nan 8.360 nan 0.000 0.483 323 F N 1.831 121.761 119.950 -0.033 0.000 2.646 323 F HA -0.072 4.455 4.527 -0.000 0.000 0.363 323 F C 0.776 176.562 175.800 -0.024 0.000 1.143 323 F CA 0.997 58.975 58.000 -0.037 0.000 1.356 323 F CB 0.395 39.361 39.000 -0.057 0.000 1.055 323 F HN -0.285 nan 8.300 nan 0.000 0.606 324 K N 1.998 122.175 120.400 -0.373 0.000 2.469 324 K HA 0.847 5.167 4.320 -0.000 0.000 0.268 324 K C -1.745 174.714 176.600 -0.235 0.000 1.027 324 K CA -0.649 55.519 56.287 -0.199 0.000 0.893 324 K CB 2.100 34.512 32.500 -0.147 0.000 1.460 324 K HN 0.598 nan 8.250 nan 0.000 0.449 325 A N 1.329 124.088 122.820 -0.100 0.000 2.398 325 A HA 0.543 4.863 4.320 -0.000 0.000 0.301 325 A C -1.494 176.064 177.584 -0.045 0.000 1.041 325 A CA -0.837 51.161 52.037 -0.066 0.000 0.711 325 A CB 0.515 19.516 19.000 0.001 0.000 1.240 325 A HN 0.734 nan 8.150 nan 0.000 0.420 326 D N 2.576 122.948 120.400 -0.047 0.000 2.443 326 D HA 0.356 4.996 4.640 -0.000 0.000 0.234 326 D C -2.249 174.047 176.300 -0.007 0.000 1.172 326 D CA 0.147 54.129 54.000 -0.030 0.000 0.878 326 D CB -0.184 40.599 40.800 -0.028 0.000 1.204 326 D HN 0.293 nan 8.370 nan 0.000 0.453 327 P HA -0.010 nan 4.420 nan 0.000 0.272 327 P C 0.877 178.184 177.300 0.012 0.000 1.230 327 P CA -0.451 62.665 63.100 0.026 0.000 0.788 327 P CB 0.661 32.385 31.700 0.039 0.000 0.949 328 V N -0.530 119.390 119.914 0.009 0.000 2.970 328 V HA 0.014 4.134 4.120 -0.000 0.000 0.260 328 V C 0.568 176.622 176.094 -0.066 0.000 1.100 328 V CA 0.915 63.187 62.300 -0.046 0.000 1.122 328 V CB -0.590 31.171 31.823 -0.103 0.000 0.721 328 V HN 0.158 nan 8.190 nan 0.000 0.483 329 V N 1.043 120.949 119.914 -0.014 0.000 2.577 329 V HA 0.466 4.586 4.120 -0.000 0.000 0.303 329 V C 0.061 176.186 176.094 0.050 0.000 1.042 329 V CA -0.409 61.897 62.300 0.010 0.000 0.872 329 V CB 1.758 33.603 31.823 0.038 0.000 0.998 329 V HN 0.211 nan 8.190 nan 0.000 0.423 330 D N 2.980 123.406 120.400 0.043 0.000 2.369 330 D HA 0.299 4.939 4.640 -0.000 0.000 0.231 330 D C 0.293 176.632 176.300 0.065 0.000 0.967 330 D CA 1.088 55.113 54.000 0.043 0.000 0.905 330 D CB 1.089 41.905 40.800 0.026 0.000 1.044 330 D HN 0.374 nan 8.370 nan 0.000 0.487 331 I N 0.971 121.590 120.570 0.081 0.000 2.447 331 I HA 0.143 4.313 4.170 -0.000 0.000 0.287 331 I C -1.243 174.982 176.117 0.181 0.000 1.023 331 I CA -0.890 60.472 61.300 0.103 0.000 1.083 331 I CB 2.103 40.138 38.000 0.059 0.000 1.245 331 I HN -0.158 nan 8.210 nan 0.000 0.434 332 Y N 7.134 127.466 120.300 0.053 0.000 2.328 332 Y HA 0.435 4.985 4.550 -0.000 0.000 0.337 332 Y C -0.648 175.297 175.900 0.075 0.000 1.008 332 Y CA -0.776 57.376 58.100 0.087 0.000 1.129 332 Y CB 1.393 39.941 38.460 0.145 0.000 1.185 332 Y HN 0.417 nan 8.280 nan 0.000 0.476 333 L N 7.738 128.789 121.223 -0.286 0.000 2.315 333 L HA 0.376 4.716 4.340 -0.000 0.000 0.278 333 L C -0.955 175.736 176.870 -0.299 0.000 1.088 333 L CA -0.569 54.139 54.840 -0.221 0.000 0.899 333 L CB -0.024 41.934 42.059 -0.167 0.000 1.277 333 L HN 0.438 nan 8.230 nan 0.000 0.431 334 V N 3.800 123.661 119.914 -0.088 0.000 2.715 334 V HA 0.585 4.705 4.120 -0.000 0.000 0.299 334 V C 0.466 176.622 176.094 0.103 0.000 1.054 334 V CA -0.207 62.133 62.300 0.067 0.000 1.077 334 V CB 1.097 33.158 31.823 0.396 0.000 0.972 334 V HN 0.829 nan 8.190 nan 0.000 0.484 335 A N 3.559 126.436 122.820 0.095 0.000 2.512 335 A HA 0.728 5.048 4.320 -0.000 0.000 0.294 335 A C -0.337 177.247 177.584 0.000 0.000 1.054 335 A CA -0.123 51.964 52.037 0.084 0.000 0.756 335 A CB 1.629 20.638 19.000 0.014 0.000 1.293 335 A HN 1.047 nan 8.150 nan 0.000 0.395 336 S N 1.158 116.856 115.700 -0.003 0.000 2.751 336 S HA 1.008 5.478 4.470 -0.000 0.000 0.310 336 S C 0.427 174.993 174.600 -0.055 0.000 1.128 336 S CA -0.127 57.971 58.200 -0.169 0.000 0.931 336 S CB 1.295 64.201 63.200 -0.490 0.000 1.177 336 S HN 2.802 nan 8.310 nan 0.000 0.530 337 G N -0.528 108.226 108.800 -0.076 0.000 2.663 337 G HA2 0.450 4.410 3.960 -0.000 0.000 0.686 337 G HA3 0.450 4.410 3.960 -0.000 0.000 0.686 337 G C -0.251 174.634 174.900 -0.025 0.000 1.288 337 G CA -0.491 44.591 45.100 -0.030 0.000 0.836 337 G HN 1.798 nan 8.290 nan 0.000 0.584 338 A N 0.378 123.189 122.820 -0.014 0.000 2.302 338 A HA 0.646 4.966 4.320 -0.000 0.000 0.295 338 A C 0.675 178.257 177.584 -0.003 0.000 1.235 338 A CA 1.025 53.056 52.037 -0.010 0.000 0.876 338 A CB -0.017 18.978 19.000 -0.009 0.000 1.133 338 A HN 1.930 nan 8.150 nan 0.000 0.533 339 D N 1.918 122.318 120.400 -0.001 0.000 2.737 339 D HA -0.118 4.522 4.640 -0.000 0.000 0.243 339 D C 0.838 177.143 176.300 0.009 0.000 1.109 339 D CA 1.784 55.786 54.000 0.004 0.000 0.702 339 D CB -1.620 39.182 40.800 0.004 0.000 1.068 339 D HN 0.582 nan 8.370 nan 0.000 0.432 340 T N -1.677 112.883 114.554 0.010 0.000 3.040 340 T HA -0.012 4.337 4.350 -0.000 0.000 0.252 340 T C 1.904 176.616 174.700 0.020 0.000 1.064 340 T CA 0.247 62.356 62.100 0.015 0.000 1.110 340 T CB 0.277 69.153 68.868 0.013 0.000 0.921 340 T HN 0.192 nan 8.240 nan 0.000 0.480 341 Q N 1.774 121.589 119.800 0.025 0.000 1.867 341 Q HA -0.192 4.148 4.340 -0.000 0.000 0.243 341 Q C 2.549 178.574 176.000 0.042 0.000 1.036 341 Q CA 1.949 57.778 55.803 0.044 0.000 0.889 341 Q CB -0.872 27.890 28.738 0.038 0.000 0.983 341 Q HN 0.407 nan 8.270 nan 0.000 0.418 342 S N 0.761 116.479 115.700 0.030 0.000 2.407 342 S HA -0.228 4.241 4.470 -0.000 0.000 0.235 342 S C 1.917 176.531 174.600 0.023 0.000 1.036 342 S CA 1.194 59.409 58.200 0.025 0.000 1.013 342 S CB -0.387 62.823 63.200 0.016 0.000 0.820 342 S HN 0.528 nan 8.310 nan 0.000 0.476 343 A N 1.630 124.462 122.820 0.019 0.000 1.841 343 A HA 0.155 4.475 4.320 -0.000 0.000 0.214 343 A C 2.427 180.020 177.584 0.014 0.000 1.195 343 A CA 1.687 53.733 52.037 0.015 0.000 0.611 343 A CB -1.351 17.657 19.000 0.014 0.000 0.835 343 A HN 0.535 nan 8.150 nan 0.000 0.443 344 A N -1.167 121.661 122.820 0.013 0.000 1.940 344 A HA -0.173 4.147 4.320 -0.000 0.000 0.219 344 A C 2.232 179.816 177.584 -0.000 0.000 1.176 344 A CA 2.267 54.304 52.037 0.000 0.000 0.631 344 A CB -0.541 18.452 19.000 -0.012 0.000 0.814 344 A HN 0.549 nan 8.150 nan 0.000 0.446 345 M N -0.263 119.351 119.600 0.024 0.000 2.065 345 M HA -0.128 4.352 4.480 -0.000 0.000 0.259 345 M C 2.360 178.673 176.300 0.022 0.000 1.071 345 M CA 2.002 57.325 55.300 0.039 0.000 1.109 345 M CB -0.433 32.208 32.600 0.067 0.000 1.313 345 M HN 0.420 nan 8.290 nan 0.000 0.408 346 A N -0.292 122.539 122.820 0.019 0.000 1.883 346 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 346 A C 2.076 179.665 177.584 0.008 0.000 1.186 346 A CA 1.952 53.997 52.037 0.013 0.000 0.624 346 A CB -1.324 17.683 19.000 0.012 0.000 0.822 346 A HN 0.583 nan 8.150 nan 0.000 0.444 347 L N -0.327 120.899 121.223 0.005 0.000 2.129 347 L HA -0.130 4.210 4.340 -0.000 0.000 0.212 347 L C 2.524 179.393 176.870 -0.002 0.000 1.087 347 L CA 2.180 57.021 54.840 0.001 0.000 0.757 347 L CB -0.777 41.281 42.059 -0.002 0.000 0.896 347 L HN 0.369 nan 8.230 nan 0.000 0.434 348 A N -1.065 121.753 122.820 -0.004 0.000 1.872 348 A HA -0.102 4.218 4.320 -0.000 0.000 0.214 348 A C 2.112 179.697 177.584 0.002 0.000 1.187 348 A CA 1.218 53.251 52.037 -0.007 0.000 0.614 348 A CB -0.519 18.471 19.000 -0.017 0.000 0.826 348 A HN 0.471 nan 8.150 nan 0.000 0.442 349 E N -0.124 120.081 120.200 0.007 0.000 2.070 349 E HA -0.245 4.105 4.350 -0.000 0.000 0.197 349 E C 2.174 178.778 176.600 0.008 0.000 1.004 349 E CA 1.466 57.872 56.400 0.010 0.000 0.805 349 E CB -0.457 29.250 29.700 0.012 0.000 0.744 349 E HN 0.660 nan 8.360 nan 0.000 0.451 350 R N 0.783 121.288 120.500 0.007 0.000 2.083 350 R HA -0.104 4.236 4.340 -0.000 0.000 0.237 350 R C 2.598 178.902 176.300 0.007 0.000 1.137 350 R CA 1.124 57.228 56.100 0.007 0.000 0.951 350 R CB -0.388 29.916 30.300 0.006 0.000 0.851 350 R HN 0.161 nan 8.270 nan 0.000 0.434 351 L N 0.300 121.527 121.223 0.006 0.000 2.191 351 L HA -0.165 4.175 4.340 -0.000 0.000 0.212 351 L C 2.708 179.583 176.870 0.009 0.000 1.103 351 L CA 1.263 56.108 54.840 0.008 0.000 0.769 351 L CB -0.322 41.740 42.059 0.007 0.000 0.908 351 L HN 0.283 nan 8.230 nan 0.000 0.438 352 R N -0.033 120.471 120.500 0.007 0.000 2.070 352 R HA -0.150 4.190 4.340 -0.000 0.000 0.233 352 R C 1.992 178.297 176.300 0.008 0.000 1.137 352 R CA 1.702 57.806 56.100 0.007 0.000 0.945 352 R CB -0.299 30.005 30.300 0.007 0.000 0.845 352 R HN 0.360 nan 8.270 nan 0.000 0.430 353 D N 0.568 120.973 120.400 0.008 0.000 2.133 353 D HA -0.190 4.450 4.640 -0.000 0.000 0.195 353 D C 1.596 177.901 176.300 0.008 0.000 0.997 353 D CA 1.373 55.377 54.000 0.008 0.000 0.840 353 D CB -0.135 40.670 40.800 0.008 0.000 0.947 353 D HN 0.398 nan 8.370 nan 0.000 0.452 354 E N -0.275 119.930 120.200 0.009 0.000 2.274 354 E HA 0.022 4.372 4.350 -0.000 0.000 0.194 354 E C 0.667 177.274 176.600 0.011 0.000 0.996 354 E CA 0.316 56.723 56.400 0.010 0.000 0.840 354 E CB 0.310 30.017 29.700 0.012 0.000 0.772 354 E HN 0.209 nan 8.360 nan 0.000 0.491 355 L N 2.173 123.402 121.223 0.011 0.000 2.637 355 L HA 0.298 4.638 4.340 -0.000 0.000 0.241 355 L C -2.412 174.463 176.870 0.008 0.000 1.398 355 L CA -1.713 53.134 54.840 0.010 0.000 0.895 355 L CB 0.999 43.066 42.059 0.013 0.000 1.183 355 L HN -0.153 nan 8.230 nan 0.000 0.497 356 P HA 0.235 nan 4.420 nan 0.000 0.275 356 P C 0.713 178.016 177.300 0.005 0.000 1.227 356 P CA 0.571 63.675 63.100 0.006 0.000 0.781 356 P CB 2.003 33.707 31.700 0.007 0.000 0.906 357 G N 1.542 110.344 108.800 0.004 0.000 2.307 357 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.210 357 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.210 357 G C -0.014 174.887 174.900 0.002 0.000 1.005 357 G CA 0.098 45.199 45.100 0.003 0.000 0.634 357 G HN 0.714 nan 8.290 nan 0.000 0.496 358 V N -0.873 119.043 119.914 0.004 0.000 2.617 358 V HA 0.817 4.937 4.120 -0.000 0.000 0.298 358 V C -0.018 176.078 176.094 0.003 0.000 1.048 358 V CA -1.162 61.141 62.300 0.005 0.000 0.964 358 V CB 1.588 33.417 31.823 0.011 0.000 1.004 358 V HN 0.280 nan 8.190 nan 0.000 0.466 359 K N 4.558 124.960 120.400 0.003 0.000 2.263 359 K HA 0.664 4.984 4.320 -0.000 0.000 0.272 359 K C -0.988 175.617 176.600 0.008 0.000 1.033 359 K CA -0.331 55.954 56.287 -0.004 0.000 0.884 359 K CB 1.772 34.262 32.500 -0.016 0.000 1.107 359 K HN 0.778 nan 8.250 nan 0.000 0.460 360 L N 4.576 125.803 121.223 0.006 0.000 2.372 360 L HA 0.477 4.817 4.340 -0.000 0.000 0.274 360 L C -1.278 175.601 176.870 0.015 0.000 0.988 360 L CA -0.627 54.226 54.840 0.022 0.000 0.833 360 L CB 1.411 43.479 42.059 0.015 0.000 1.236 360 L HN 0.699 nan 8.230 nan 0.000 0.410 361 M N 4.200 123.835 119.600 0.059 0.000 2.205 361 M HA 0.427 4.907 4.480 -0.000 0.000 0.344 361 M C -0.807 175.482 176.300 -0.018 0.000 1.085 361 M CA -0.326 55.008 55.300 0.058 0.000 1.001 361 M CB 1.596 34.273 32.600 0.128 0.000 1.626 361 M HN 0.587 nan 8.290 nan 0.000 0.442 362 T N 3.683 118.153 114.554 -0.140 0.000 2.727 362 T HA 0.194 4.544 4.350 -0.000 0.000 0.298 362 T C -0.096 174.261 174.700 -0.572 0.000 0.942 362 T CA -0.565 61.323 62.100 -0.354 0.000 0.997 362 T CB -0.241 68.421 68.868 -0.343 0.000 0.917 362 T HN 0.777 nan 8.240 nan 0.000 0.487 363 N N 3.173 121.490 118.700 -0.637 0.000 2.353 363 N HA -0.052 4.688 4.740 -0.000 0.000 0.248 363 N C -0.306 174.988 175.510 -0.361 0.000 1.240 363 N CA 0.513 53.319 53.050 -0.406 0.000 0.862 363 N CB 0.387 38.617 38.487 -0.428 0.000 1.086 363 N HN 0.562 nan 8.380 nan 0.000 0.453 364 H N 1.131 120.244 119.070 0.072 0.000 2.941 364 H HA 0.400 4.956 4.556 -0.000 0.000 0.344 364 H C 0.561 175.923 175.328 0.056 0.000 1.235 364 H CA -0.156 55.921 56.048 0.048 0.000 1.149 364 H CB 1.566 31.361 29.762 0.054 0.000 1.885 364 H HN 0.823 nan 8.280 nan 0.000 0.558 365 G N 0.501 109.411 108.800 0.183 0.000 2.221 365 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.265 365 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.265 365 G C 0.975 175.911 174.900 0.061 0.000 1.041 365 G CA 1.099 46.257 45.100 0.097 0.000 0.807 365 G HN 1.241 nan 8.290 nan 0.000 0.502 366 G N -0.478 108.351 108.800 0.047 0.000 2.632 366 G HA2 0.358 4.318 3.960 -0.000 0.000 0.322 366 G HA3 0.358 4.318 3.960 -0.000 0.000 0.322 366 G C 1.588 176.477 174.900 -0.018 0.000 1.326 366 G CA 1.817 46.914 45.100 -0.005 0.000 0.986 366 G HN 2.918 nan 8.290 nan 0.000 0.541 367 G N -2.032 106.733 108.800 -0.059 0.000 2.555 367 G HA2 0.419 4.379 3.960 -0.000 0.000 0.686 367 G HA3 0.419 4.379 3.960 -0.000 0.000 0.686 367 G C -0.529 174.275 174.900 -0.159 0.000 1.275 367 G CA 0.506 45.565 45.100 -0.069 0.000 0.871 367 G HN 2.386 nan 8.290 nan 0.000 0.603 368 N N -0.975 117.626 118.700 -0.166 0.000 2.489 368 N HA 0.669 5.409 4.740 -0.000 0.000 0.284 368 N C 1.011 176.363 175.510 -0.263 0.000 1.158 368 N CA -0.774 52.107 53.050 -0.281 0.000 0.965 368 N CB 0.603 38.981 38.487 -0.182 0.000 1.195 368 N HN 0.306 nan 8.380 nan 0.000 0.506 369 F N -0.298 119.512 119.950 -0.233 0.000 2.176 369 F HA -0.221 4.306 4.527 -0.000 0.000 0.301 369 F C 2.298 177.800 175.800 -0.496 0.000 1.071 369 F CA 1.316 59.019 58.000 -0.495 0.000 1.289 369 F CB -0.542 38.076 39.000 -0.636 0.000 1.028 369 F HN 0.674 nan 8.300 nan 0.000 0.494 370 K N 0.864 121.207 120.400 -0.095 0.000 2.001 370 K HA -0.253 4.067 4.320 -0.000 0.000 0.214 370 K C 2.091 178.693 176.600 0.004 0.000 1.050 370 K CA 1.984 58.248 56.287 -0.038 0.000 0.934 370 K CB -0.177 32.313 32.500 -0.017 0.000 0.718 370 K HN 0.214 nan 8.250 nan 0.000 0.443 371 K N 0.432 120.828 120.400 -0.006 0.000 1.969 371 K HA -0.193 4.127 4.320 -0.000 0.000 0.216 371 K C 2.379 179.032 176.600 0.090 0.000 1.048 371 K CA 2.027 58.328 56.287 0.023 0.000 0.948 371 K CB -0.310 32.194 32.500 0.007 0.000 0.726 371 K HN 0.290 nan 8.250 nan 0.000 0.442 372 Q N -0.104 119.772 119.800 0.128 0.000 2.142 372 Q HA -0.228 4.112 4.340 -0.000 0.000 0.213 372 Q C 2.136 178.442 176.000 0.509 0.000 1.004 372 Q CA 1.764 57.768 55.803 0.336 0.000 0.883 372 Q CB -0.314 28.583 28.738 0.265 0.000 0.939 372 Q HN 0.258 nan 8.270 nan 0.000 0.413 373 F N -0.010 120.063 119.950 0.205 0.000 2.186 373 F HA -0.084 4.443 4.527 -0.000 0.000 0.299 373 F C 2.430 178.248 175.800 0.030 0.000 1.090 373 F CA 0.724 58.810 58.000 0.142 0.000 1.307 373 F CB -1.189 37.873 39.000 0.104 0.000 1.019 373 F HN 0.073 nan 8.300 nan 0.000 0.489 374 A N 0.347 123.281 122.820 0.190 0.000 1.902 374 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 374 A C 2.371 179.878 177.584 -0.128 0.000 1.181 374 A CA 1.335 53.386 52.037 0.023 0.000 0.623 374 A CB -0.623 18.378 19.000 0.002 0.000 0.818 374 A HN 0.311 nan 8.150 nan 0.000 0.443 375 R N -0.419 119.982 120.500 -0.165 0.000 2.115 375 R HA -0.024 4.316 4.340 -0.000 0.000 0.230 375 R C 2.395 178.254 176.300 -0.734 0.000 1.111 375 R CA 1.040 56.857 56.100 -0.473 0.000 0.976 375 R CB -0.433 29.689 30.300 -0.296 0.000 0.870 375 R HN 0.507 nan 8.270 nan 0.000 0.445 376 A N 1.599 124.101 122.820 -0.529 0.000 1.898 376 A HA -0.171 4.149 4.320 -0.000 0.000 0.216 376 A C 1.593 179.073 177.584 -0.173 0.000 1.181 376 A CA 1.555 53.358 52.037 -0.391 0.000 0.620 376 A CB -0.271 18.776 19.000 0.079 0.000 0.819 376 A HN 0.159 nan 8.150 nan 0.000 0.442 377 D N -0.436 119.886 120.400 -0.129 0.000 2.144 377 D HA -0.144 4.495 4.640 -0.000 0.000 0.200 377 D C 1.880 178.103 176.300 -0.128 0.000 0.978 377 D CA 1.395 55.341 54.000 -0.090 0.000 0.833 377 D CB -0.197 40.567 40.800 -0.059 0.000 0.961 377 D HN 0.578 nan 8.370 nan 0.000 0.470 378 K N 0.288 120.530 120.400 -0.264 0.000 2.032 378 K HA -0.159 4.161 4.320 -0.000 0.000 0.209 378 K C 1.906 178.375 176.600 -0.217 0.000 1.048 378 K CA 1.193 57.262 56.287 -0.362 0.000 0.927 378 K CB -0.225 31.860 32.500 -0.693 0.000 0.712 378 K HN 0.218 nan 8.250 nan 0.000 0.441 379 W N -0.017 121.199 121.300 -0.141 0.000 3.077 379 W HA 0.093 4.753 4.660 -0.000 0.000 0.245 379 W C 1.100 177.578 176.519 -0.069 0.000 1.316 379 W CA -0.041 57.241 57.345 -0.105 0.000 1.537 379 W CB 0.273 29.647 29.460 -0.143 0.000 1.131 379 W HN 0.503 nan 8.180 nan 0.000 0.695 380 G N 0.306 109.185 108.800 0.132 0.000 2.157 380 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.248 380 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.248 380 G C 0.415 175.351 174.900 0.061 0.000 0.979 380 G CA -0.377 44.768 45.100 0.075 0.000 0.650 380 G HN 0.477 nan 8.290 nan 0.000 0.529 381 A N -0.251 122.614 122.820 0.076 0.000 2.565 381 A HA 0.521 4.841 4.320 -0.000 0.000 0.237 381 A C 1.344 178.945 177.584 0.029 0.000 1.053 381 A CA 1.284 53.363 52.037 0.070 0.000 0.755 381 A CB 0.095 19.162 19.000 0.112 0.000 0.980 381 A HN 0.574 nan 8.150 nan 0.000 0.506 382 R N 1.030 121.543 120.500 0.023 0.000 2.265 382 R HA 0.265 4.605 4.340 -0.000 0.000 0.194 382 R C -0.491 175.804 176.300 -0.010 0.000 0.931 382 R CA 0.412 56.513 56.100 0.001 0.000 1.032 382 R CB 0.369 30.671 30.300 0.003 0.000 0.980 382 R HN 0.514 nan 8.270 nan 0.000 0.497 383 V N -0.244 119.673 119.914 0.004 0.000 3.087 383 V HA 0.669 4.788 4.120 -0.000 0.000 0.306 383 V C -1.347 174.752 176.094 0.008 0.000 1.187 383 V CA -1.148 61.147 62.300 -0.008 0.000 0.999 383 V CB 2.076 33.908 31.823 0.015 0.000 1.049 383 V HN 0.108 nan 8.190 nan 0.000 0.431 384 A N 2.005 124.803 122.820 -0.036 0.000 2.422 384 A HA 0.863 5.183 4.320 -0.000 0.000 0.302 384 A C -0.895 176.682 177.584 -0.012 0.000 1.041 384 A CA -0.522 51.515 52.037 0.001 0.000 0.708 384 A CB 1.997 20.953 19.000 -0.074 0.000 1.257 384 A HN 1.730 nan 8.150 nan 0.000 0.414 385 V N 1.589 121.513 119.914 0.016 0.000 2.311 385 V HA 0.682 4.802 4.120 -0.000 0.000 0.275 385 V C -0.326 175.786 176.094 0.030 0.000 1.022 385 V CA -0.597 61.702 62.300 -0.001 0.000 0.830 385 V CB 0.545 32.360 31.823 -0.013 0.000 1.012 385 V HN 0.672 nan 8.190 nan 0.000 0.452 386 V N 6.208 126.148 119.914 0.044 0.000 2.530 386 V HA 0.442 4.562 4.120 -0.000 0.000 0.282 386 V C 0.107 176.235 176.094 0.056 0.000 1.048 386 V CA -0.302 62.051 62.300 0.088 0.000 0.997 386 V CB 1.178 33.022 31.823 0.035 0.000 0.987 386 V HN 0.867 nan 8.190 nan 0.000 0.477 387 L N 5.280 126.559 121.223 0.093 0.000 2.488 387 L HA 0.711 5.051 4.340 -0.000 0.000 0.250 387 L C 0.595 177.526 176.870 0.102 0.000 1.280 387 L CA 0.305 55.185 54.840 0.066 0.000 0.929 387 L CB 0.472 42.553 42.059 0.036 0.000 1.200 387 L HN 0.737 nan 8.230 nan 0.000 0.495 388 G N 1.032 109.907 108.800 0.125 0.000 2.489 388 G HA2 0.160 4.120 3.960 -0.000 0.000 0.271 388 G HA3 0.160 4.120 3.960 -0.000 0.000 0.271 388 G C 0.408 175.358 174.900 0.083 0.000 1.427 388 G CA 0.011 45.204 45.100 0.156 0.000 1.057 388 G HN 0.617 nan 8.290 nan 0.000 0.532 389 E N -0.495 119.750 120.200 0.075 0.000 2.047 389 E HA -0.095 4.255 4.350 -0.000 0.000 0.191 389 E C 2.869 179.490 176.600 0.035 0.000 0.987 389 E CA 1.376 57.802 56.400 0.043 0.000 0.799 389 E CB -0.138 29.584 29.700 0.037 0.000 0.752 389 E HN 0.312 nan 8.360 nan 0.000 0.449 390 S N 1.528 117.252 115.700 0.039 0.000 2.363 390 S HA -0.209 4.261 4.470 -0.000 0.000 0.218 390 S C 1.890 176.502 174.600 0.020 0.000 1.035 390 S CA 1.490 59.706 58.200 0.026 0.000 1.043 390 S CB -0.380 62.835 63.200 0.025 0.000 0.986 390 S HN 0.179 nan 8.310 nan 0.000 0.423 391 E N 1.012 121.225 120.200 0.022 0.000 2.136 391 E HA -0.153 4.197 4.350 -0.000 0.000 0.202 391 E C 2.047 178.655 176.600 0.012 0.000 1.019 391 E CA 1.162 57.570 56.400 0.013 0.000 0.819 391 E CB -0.879 28.829 29.700 0.015 0.000 0.739 391 E HN 0.341 nan 8.360 nan 0.000 0.458 392 V N 0.789 120.714 119.914 0.018 0.000 2.261 392 V HA -0.295 3.825 4.120 -0.000 0.000 0.246 392 V C 2.225 178.325 176.094 0.011 0.000 1.047 392 V CA 1.841 64.150 62.300 0.014 0.000 1.015 392 V CB -1.062 30.770 31.823 0.016 0.000 0.642 392 V HN 0.394 nan 8.190 nan 0.000 0.446 393 A N 1.139 123.966 122.820 0.012 0.000 1.859 393 A HA -0.266 4.054 4.320 -0.000 0.000 0.217 393 A C 1.916 179.504 177.584 0.007 0.000 1.198 393 A CA 2.318 54.360 52.037 0.009 0.000 0.629 393 A CB -0.844 18.162 19.000 0.010 0.000 0.830 393 A HN 0.630 nan 8.150 nan 0.000 0.446 394 N N -0.318 118.386 118.700 0.006 0.000 2.571 394 N HA 0.064 4.804 4.740 -0.000 0.000 0.189 394 N C 1.158 176.668 175.510 0.001 0.000 1.154 394 N CA 1.119 54.171 53.050 0.003 0.000 0.907 394 N CB -0.227 38.261 38.487 0.002 0.000 0.977 394 N HN 0.811 nan 8.380 nan 0.000 0.449 395 G N 0.910 109.711 108.800 0.002 0.000 2.179 395 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.257 395 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.257 395 G C 0.447 175.344 174.900 -0.005 0.000 1.010 395 G CA 1.185 46.285 45.100 -0.000 0.000 0.736 395 G HN 0.574 nan 8.290 nan 0.000 0.513 396 T N -3.335 111.215 114.554 -0.007 0.000 2.844 396 T HA 0.974 5.324 4.350 -0.000 0.000 0.274 396 T C -0.087 174.601 174.700 -0.020 0.000 0.991 396 T CA 0.081 62.171 62.100 -0.017 0.000 0.983 396 T CB 2.456 71.312 68.868 -0.019 0.000 1.310 396 T HN 1.973 nan 8.240 nan 0.000 0.596 397 A N 0.282 123.081 122.820 -0.036 0.000 2.547 397 A HA 0.589 4.909 4.320 -0.000 0.000 0.298 397 A C -0.786 176.760 177.584 -0.064 0.000 1.062 397 A CA -0.808 51.206 52.037 -0.037 0.000 0.748 397 A CB 1.052 20.031 19.000 -0.034 0.000 1.288 397 A HN 0.875 nan 8.150 nan 0.000 0.396 398 V N 1.681 121.563 119.914 -0.053 0.000 2.715 398 V HA 0.344 4.464 4.120 -0.000 0.000 0.299 398 V C 0.142 176.185 176.094 -0.086 0.000 1.054 398 V CA -0.162 62.094 62.300 -0.072 0.000 1.077 398 V CB 1.430 33.216 31.823 -0.061 0.000 0.972 398 V HN 0.672 nan 8.190 nan 0.000 0.484 399 V N 5.421 125.261 119.914 -0.124 0.000 2.305 399 V HA 0.312 4.432 4.120 -0.000 0.000 0.275 399 V C 0.141 176.184 176.094 -0.085 0.000 1.020 399 V CA -0.684 61.541 62.300 -0.125 0.000 0.811 399 V CB 1.127 32.796 31.823 -0.256 0.000 1.031 399 V HN 0.825 nan 8.190 nan 0.000 0.439 400 K N 3.338 123.679 120.400 -0.097 0.000 2.248 400 K HA 0.241 4.561 4.320 -0.000 0.000 0.281 400 K C -0.412 176.117 176.600 -0.118 0.000 1.054 400 K CA -0.512 55.694 56.287 -0.135 0.000 0.903 400 K CB 0.825 33.162 32.500 -0.272 0.000 1.077 400 K HN 0.625 nan 8.250 nan 0.000 0.474 401 D N 6.040 126.394 120.400 -0.078 0.000 2.393 401 D HA 0.047 4.687 4.640 -0.000 0.000 0.232 401 D C 1.248 177.493 176.300 -0.091 0.000 1.192 401 D CA -0.112 53.855 54.000 -0.054 0.000 0.882 401 D CB 0.720 41.508 40.800 -0.020 0.000 1.038 401 D HN 0.600 nan 8.370 nan 0.000 0.499 402 L N 3.209 124.364 121.223 -0.114 0.000 2.187 402 L HA -0.189 4.151 4.340 -0.000 0.000 0.213 402 L C 2.471 179.296 176.870 -0.075 0.000 1.100 402 L CA 0.895 55.658 54.840 -0.130 0.000 0.765 402 L CB -0.174 41.813 42.059 -0.119 0.000 0.904 402 L HN 0.311 nan 8.230 nan 0.000 0.437 403 R N 0.112 120.582 120.500 -0.050 0.000 2.070 403 R HA -0.130 4.210 4.340 -0.000 0.000 0.227 403 R C 2.690 178.971 176.300 -0.030 0.000 1.147 403 R CA 1.862 57.942 56.100 -0.033 0.000 0.924 403 R CB -0.540 29.746 30.300 -0.024 0.000 0.827 403 R HN 0.409 nan 8.270 nan 0.000 0.431 404 S N -1.177 114.505 115.700 -0.029 0.000 2.406 404 S HA 0.041 4.511 4.470 -0.000 0.000 0.228 404 S C 1.646 176.230 174.600 -0.026 0.000 1.020 404 S CA 0.993 59.180 58.200 -0.022 0.000 0.965 404 S CB 0.350 63.540 63.200 -0.017 0.000 0.798 404 S HN 0.628 nan 8.310 nan 0.000 0.488 405 G N 1.443 110.218 108.800 -0.042 0.000 2.254 405 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.225 405 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.225 405 G C -0.084 174.791 174.900 -0.043 0.000 1.003 405 G CA 0.078 45.150 45.100 -0.047 0.000 0.622 405 G HN 0.921 nan 8.290 nan 0.000 0.507 406 E N 1.352 121.534 120.200 -0.030 0.000 2.373 406 E HA 0.576 4.926 4.350 -0.000 0.000 0.263 406 E C 0.266 176.848 176.600 -0.029 0.000 1.073 406 E CA -0.202 56.185 56.400 -0.021 0.000 0.894 406 E CB 0.470 30.165 29.700 -0.007 0.000 1.008 406 E HN 0.696 nan 8.360 nan 0.000 0.420 407 Q N 0.779 120.564 119.800 -0.026 0.000 2.495 407 Q HA 0.612 4.952 4.340 -0.000 0.000 0.287 407 Q C -1.061 174.924 176.000 -0.026 0.000 1.078 407 Q CA -1.124 54.657 55.803 -0.036 0.000 0.793 407 Q CB 2.109 30.815 28.738 -0.053 0.000 1.459 407 Q HN 0.736 nan 8.270 nan 0.000 0.422 408 T N -2.973 111.554 114.554 -0.044 0.000 2.982 408 T HA 0.703 5.053 4.350 -0.000 0.000 0.321 408 T C -1.042 173.608 174.700 -0.083 0.000 1.229 408 T CA -0.528 61.548 62.100 -0.041 0.000 1.044 408 T CB 1.461 70.328 68.868 -0.003 0.000 1.184 408 T HN 0.849 nan 8.240 nan 0.000 0.477 409 A N 2.363 125.146 122.820 -0.062 0.000 2.409 409 A HA 0.692 5.012 4.320 -0.000 0.000 0.262 409 A C -0.044 177.488 177.584 -0.085 0.000 1.113 409 A CA -0.503 51.492 52.037 -0.069 0.000 0.790 409 A CB 0.136 19.112 19.000 -0.040 0.000 1.046 409 A HN 1.008 nan 8.150 nan 0.000 0.496 410 V N 1.874 121.720 119.914 -0.113 0.000 2.735 410 V HA 0.631 4.751 4.120 -0.000 0.000 0.310 410 V C 0.653 176.709 176.094 -0.064 0.000 1.061 410 V CA -0.492 61.741 62.300 -0.112 0.000 0.913 410 V CB 1.739 33.424 31.823 -0.230 0.000 1.005 410 V HN 1.203 nan 8.190 nan 0.000 0.428 411 A N 2.617 125.417 122.820 -0.033 0.000 2.440 411 A HA 0.289 4.609 4.320 -0.000 0.000 0.251 411 A C 1.053 178.626 177.584 -0.018 0.000 1.089 411 A CA -0.016 52.011 52.037 -0.018 0.000 0.779 411 A CB 0.222 19.219 19.000 -0.005 0.000 1.022 411 A HN 0.979 nan 8.150 nan 0.000 0.492 412 Q N 0.945 120.737 119.800 -0.014 0.000 2.133 412 Q HA -0.222 4.117 4.340 -0.000 0.000 0.208 412 Q C 0.997 176.996 176.000 -0.001 0.000 0.991 412 Q CA 2.259 58.056 55.803 -0.011 0.000 0.867 412 Q CB -0.091 28.643 28.738 -0.006 0.000 0.911 412 Q HN 0.858 nan 8.270 nan 0.000 0.417 413 D N -0.303 120.099 120.400 0.003 0.000 2.123 413 D HA -0.111 4.529 4.640 -0.000 0.000 0.196 413 D C 1.514 177.823 176.300 0.016 0.000 0.992 413 D CA 1.322 55.327 54.000 0.009 0.000 0.833 413 D CB -0.077 40.728 40.800 0.008 0.000 0.954 413 D HN 0.130 nan 8.370 nan 0.000 0.455 414 S N 0.352 116.063 115.700 0.019 0.000 2.593 414 S HA -0.011 4.459 4.470 -0.000 0.000 0.217 414 S C 2.240 176.876 174.600 0.061 0.000 0.966 414 S CA 0.005 58.228 58.200 0.038 0.000 0.914 414 S CB 0.412 63.639 63.200 0.044 0.000 0.776 414 S HN 0.288 nan 8.310 nan 0.000 0.523 415 V N 0.659 120.590 119.914 0.028 0.000 2.307 415 V HA -0.038 4.082 4.120 -0.000 0.000 0.245 415 V C 2.391 178.529 176.094 0.072 0.000 1.045 415 V CA 1.504 63.818 62.300 0.024 0.000 1.024 415 V CB -1.537 30.269 31.823 -0.029 0.000 0.651 415 V HN 0.370 nan 8.190 nan 0.000 0.449 416 A N 1.092 123.939 122.820 0.046 0.000 1.892 416 A HA -0.093 4.227 4.320 -0.000 0.000 0.218 416 A C 2.496 180.113 177.584 0.055 0.000 1.188 416 A CA 2.994 55.057 52.037 0.043 0.000 0.631 416 A CB -1.297 17.719 19.000 0.027 0.000 0.822 416 A HN 1.117 nan 8.150 nan 0.000 0.447 417 A N -1.989 120.865 122.820 0.057 0.000 2.067 417 A HA -0.142 4.178 4.320 -0.000 0.000 0.219 417 A C 2.065 179.685 177.584 0.061 0.000 1.158 417 A CA 1.605 53.669 52.037 0.046 0.000 0.661 417 A CB -0.761 18.260 19.000 0.035 0.000 0.801 417 A HN 0.754 nan 8.150 nan 0.000 0.452 418 H N 0.318 119.386 119.070 -0.004 0.000 2.294 418 H HA 0.031 4.587 4.556 -0.000 0.000 0.306 418 H C 1.885 177.208 175.328 -0.007 0.000 1.065 418 H CA 1.771 57.815 56.048 -0.006 0.000 1.343 418 H CB -0.308 29.450 29.762 -0.007 0.000 1.396 418 H HN 0.401 nan 8.280 nan 0.000 0.506 419 L N 0.514 121.865 121.223 0.213 0.000 2.081 419 L HA -0.211 4.129 4.340 -0.000 0.000 0.212 419 L C 2.914 179.812 176.870 0.047 0.000 1.080 419 L CA 1.482 56.398 54.840 0.126 0.000 0.754 419 L CB -0.434 41.673 42.059 0.080 0.000 0.893 419 L HN 0.168 nan 8.230 nan 0.000 0.433 420 R N -0.524 119.994 120.500 0.029 0.000 2.127 420 R HA -0.147 4.193 4.340 -0.000 0.000 0.238 420 R C 2.164 178.451 176.300 -0.021 0.000 1.134 420 R CA 1.852 57.954 56.100 0.003 0.000 0.975 420 R CB -0.214 30.088 30.300 0.003 0.000 0.865 420 R HN 0.294 nan 8.270 nan 0.000 0.447 421 T N 1.121 115.643 114.554 -0.053 0.000 2.623 421 T HA -0.085 4.265 4.350 -0.000 0.000 0.254 421 T C 1.413 176.075 174.700 -0.063 0.000 1.075 421 T CA 1.403 63.455 62.100 -0.080 0.000 1.177 421 T CB -0.244 68.533 68.868 -0.152 0.000 0.869 421 T HN 0.253 nan 8.240 nan 0.000 0.403 422 L N 0.526 121.706 121.223 -0.072 0.000 2.450 422 L HA 0.123 4.463 4.340 -0.000 0.000 0.225 422 L C 1.407 178.268 176.870 -0.015 0.000 1.145 422 L CA 1.329 56.147 54.840 -0.037 0.000 0.801 422 L CB -1.552 40.497 42.059 -0.017 0.000 0.924 422 L HN 0.187 nan 8.230 nan 0.000 0.447 423 L N 0.823 122.041 121.223 -0.009 0.000 2.928 423 L HA 0.490 4.830 4.340 -0.000 0.000 0.236 423 L C 1.122 177.986 176.870 -0.010 0.000 1.290 423 L CA -0.052 54.786 54.840 -0.003 0.000 1.099 423 L CB -0.955 41.108 42.059 0.007 0.000 1.437 423 L HN 0.581 nan 8.230 nan 0.000 0.493 424 G N 0.000 108.790 108.800 -0.016 0.000 5.446 424 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 424 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 424 G CA 0.000 45.090 45.100 -0.017 0.000 0.502 424 G HN 0.000 nan 8.290 nan 0.000 0.925