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_B 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 RANYRXXXXX XXXXXXXXXX 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 0.001 0.000 1.280 4 N CA 0.000 53.051 53.050 0.001 0.000 0.885 4 N CB 0.000 38.487 38.487 0.001 0.000 1.341 5 I N 0.233 120.803 120.570 -0.000 0.000 2.779 5 I HA 0.251 4.421 4.170 -0.000 0.000 0.285 5 I C 0.733 176.849 176.117 -0.001 0.000 1.134 5 I CA 0.261 61.560 61.300 -0.001 0.000 1.398 5 I CB 0.366 38.365 38.000 -0.002 0.000 1.404 5 I HN 0.422 nan 8.210 nan 0.000 0.587 6 Q N 2.109 121.909 119.800 -0.001 0.000 2.587 6 Q HA 0.771 5.111 4.340 -0.000 0.000 0.293 6 Q C -0.919 175.080 176.000 -0.003 0.000 1.083 6 Q CA -1.343 54.459 55.803 -0.002 0.000 0.792 6 Q CB 1.983 30.722 28.738 0.001 0.000 1.484 6 Q HN 0.753 nan 8.270 nan 0.000 0.446 7 A N 0.986 123.803 122.820 -0.006 0.000 2.440 7 A HA 0.310 4.630 4.320 -0.000 0.000 0.251 7 A C -0.036 177.551 177.584 0.005 0.000 1.089 7 A CA -0.248 51.785 52.037 -0.006 0.000 0.779 7 A CB -0.183 18.806 19.000 -0.018 0.000 1.022 7 A HN 0.621 nan 8.150 nan 0.000 0.492 8 I N 1.927 122.503 120.570 0.010 0.000 2.752 8 I HA -0.022 4.148 4.170 -0.000 0.000 0.289 8 I C 1.346 177.481 176.117 0.030 0.000 1.197 8 I CA 0.250 61.562 61.300 0.021 0.000 1.432 8 I CB 0.294 38.308 38.000 0.024 0.000 1.359 8 I HN 0.755 nan 8.210 nan 0.000 0.571 9 R N 4.784 125.303 120.500 0.032 0.000 2.583 9 R HA 0.071 4.411 4.340 -0.000 0.000 0.274 9 R C 1.064 177.395 176.300 0.051 0.000 0.998 9 R CA 1.205 57.326 56.100 0.035 0.000 1.081 9 R CB 0.129 30.444 30.300 0.026 0.000 0.940 9 R HN 0.973 nan 8.270 nan 0.000 0.413 10 G N 3.465 112.312 108.800 0.078 0.000 2.159 10 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.256 10 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.256 10 G C -0.050 174.958 174.900 0.180 0.000 0.977 10 G CA 0.358 45.539 45.100 0.135 0.000 0.652 10 G HN 0.538 nan 8.290 nan 0.000 0.531 11 M N 1.138 120.804 119.600 0.110 0.000 2.022 11 M HA 0.279 4.759 4.480 -0.000 0.000 0.298 11 M C -0.049 176.251 176.300 0.000 0.000 0.909 11 M CA -0.420 54.921 55.300 0.068 0.000 0.914 11 M CB 1.180 33.808 32.600 0.047 0.000 1.486 11 M HN 0.234 nan 8.290 nan 0.000 0.415 12 N N 1.468 120.130 118.700 -0.063 0.000 2.424 12 N HA 0.256 4.996 4.740 -0.000 0.000 0.257 12 N C -1.114 174.174 175.510 -0.370 0.000 1.250 12 N CA -0.367 52.519 53.050 -0.272 0.000 0.946 12 N CB 0.921 39.088 38.487 -0.533 0.000 1.175 12 N HN 0.478 nan 8.380 nan 0.000 0.477 13 D N 0.659 120.773 120.400 -0.476 0.000 2.502 13 D HA 0.184 4.824 4.640 -0.000 0.000 0.249 13 D C -1.122 174.829 176.300 -0.582 0.000 1.092 13 D CA -0.204 53.573 54.000 -0.370 0.000 0.839 13 D CB 1.242 41.930 40.800 -0.186 0.000 1.264 13 D HN 0.388 nan 8.370 nan 0.000 0.511 14 Y N 1.596 121.784 120.300 -0.186 0.000 2.385 14 Y HA 0.293 4.843 4.550 -0.000 0.000 0.341 14 Y C 0.779 176.602 175.900 -0.127 0.000 0.965 14 Y CA -0.588 57.383 58.100 -0.214 0.000 1.180 14 Y CB 0.932 39.129 38.460 -0.437 0.000 1.139 14 Y HN 0.106 nan 8.280 nan 0.000 0.502 15 L N 5.260 126.491 121.223 0.015 0.000 2.475 15 L HA 0.253 4.593 4.340 -0.000 0.000 0.253 15 L C -1.264 175.640 176.870 0.057 0.000 1.198 15 L CA -1.843 53.012 54.840 0.026 0.000 0.814 15 L CB 0.323 42.395 42.059 0.022 0.000 1.134 15 L HN 0.357 nan 8.230 nan 0.000 0.478 16 P HA -0.228 nan 4.420 nan 0.000 0.210 16 P C 1.432 178.783 177.300 0.084 0.000 1.151 16 P CA 1.864 65.003 63.100 0.066 0.000 0.949 16 P CB -0.058 31.692 31.700 0.082 0.000 0.786 17 G N -0.281 108.576 108.800 0.094 0.000 2.624 17 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.221 17 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.221 17 G C 1.635 176.611 174.900 0.126 0.000 1.169 17 G CA 1.154 46.315 45.100 0.102 0.000 0.771 17 G HN 0.256 nan 8.290 nan 0.000 0.598 18 E N -0.336 119.952 120.200 0.148 0.000 2.051 18 E HA -0.116 4.234 4.350 -0.000 0.000 0.192 18 E C 2.729 179.481 176.600 0.253 0.000 0.991 18 E CA 1.309 57.847 56.400 0.230 0.000 0.799 18 E CB -0.820 29.044 29.700 0.273 0.000 0.748 18 E HN 0.349 nan 8.360 nan 0.000 0.449 19 T N 0.599 115.238 114.554 0.140 0.000 2.721 19 T HA -0.237 4.113 4.350 -0.000 0.000 0.268 19 T C 1.746 176.526 174.700 0.134 0.000 1.038 19 T CA 1.794 63.938 62.100 0.073 0.000 1.145 19 T CB -0.151 68.731 68.868 0.024 0.000 0.858 19 T HN 0.279 nan 8.240 nan 0.000 0.459 20 A N 0.153 123.048 122.820 0.126 0.000 1.969 20 A HA 0.036 4.356 4.320 -0.000 0.000 0.218 20 A C 2.084 179.750 177.584 0.136 0.000 1.169 20 A CA 1.350 53.451 52.037 0.107 0.000 0.635 20 A CB -0.493 18.556 19.000 0.081 0.000 0.810 20 A HN 0.561 nan 8.150 nan 0.000 0.445 21 I N -2.589 118.096 120.570 0.193 0.000 2.353 21 I HA -0.157 4.013 4.170 -0.000 0.000 0.248 21 I C 2.077 178.295 176.117 0.169 0.000 1.119 21 I CA 0.745 62.165 61.300 0.200 0.000 1.417 21 I CB -0.578 37.541 38.000 0.197 0.000 1.078 21 I HN 0.474 nan 8.210 nan 0.000 0.421 22 W N 1.218 122.507 121.300 -0.020 0.000 2.363 22 W HA -0.143 4.517 4.660 -0.000 0.000 0.296 22 W C 2.672 179.154 176.519 -0.061 0.000 1.212 22 W CA 1.144 58.435 57.345 -0.090 0.000 1.260 22 W CB -0.666 28.672 29.460 -0.202 0.000 1.131 22 W HN 0.174 nan 8.180 nan 0.000 0.530 23 Q N -0.305 119.605 119.800 0.184 0.000 2.084 23 Q HA -0.188 4.152 4.340 -0.000 0.000 0.202 23 Q C 2.252 178.295 176.000 0.070 0.000 0.978 23 Q CA 1.458 57.323 55.803 0.103 0.000 0.844 23 Q CB -0.472 28.311 28.738 0.076 0.000 0.898 23 Q HN 0.297 nan 8.270 nan 0.000 0.426 24 R N 0.744 121.291 120.500 0.080 0.000 2.075 24 R HA -0.082 4.258 4.340 -0.000 0.000 0.232 24 R C 2.132 178.485 176.300 0.089 0.000 1.126 24 R CA 1.007 57.147 56.100 0.066 0.000 0.963 24 R CB -0.073 30.250 30.300 0.038 0.000 0.858 24 R HN 0.241 nan 8.270 nan 0.000 0.435 25 I N 0.624 121.245 120.570 0.085 0.000 2.315 25 I HA -0.228 3.942 4.170 -0.000 0.000 0.248 25 I C 1.852 177.896 176.117 -0.121 0.000 1.117 25 I CA 1.403 62.678 61.300 -0.041 0.000 1.404 25 I CB -0.203 37.658 38.000 -0.232 0.000 1.071 25 I HN 0.281 nan 8.210 nan 0.000 0.419 26 E N 0.689 120.842 120.200 -0.078 0.000 2.150 26 E HA -0.125 4.225 4.350 -0.000 0.000 0.193 26 E C 2.285 178.841 176.600 -0.074 0.000 0.985 26 E CA 0.979 57.327 56.400 -0.086 0.000 0.814 26 E CB -0.230 29.475 29.700 0.008 0.000 0.752 26 E HN 0.579 nan 8.360 nan 0.000 0.466 27 G N 0.789 109.574 108.800 -0.024 0.000 2.421 27 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.216 27 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.216 27 G C 1.651 176.535 174.900 -0.026 0.000 1.171 27 G CA 1.282 46.377 45.100 -0.008 0.000 0.775 27 G HN 0.179 nan 8.290 nan 0.000 0.543 28 T N 1.363 115.900 114.554 -0.028 0.000 2.788 28 T HA -0.028 4.322 4.350 -0.000 0.000 0.268 28 T C 2.427 177.093 174.700 -0.056 0.000 1.044 28 T CA 0.869 62.957 62.100 -0.019 0.000 1.139 28 T CB -0.183 68.688 68.868 0.005 0.000 0.867 28 T HN 0.134 nan 8.240 nan 0.000 0.454 29 L N 0.232 121.339 121.223 -0.194 0.000 2.056 29 L HA -0.076 4.264 4.340 -0.000 0.000 0.207 29 L C 2.639 179.437 176.870 -0.120 0.000 1.078 29 L CA 1.387 56.015 54.840 -0.352 0.000 0.749 29 L CB -0.368 41.303 42.059 -0.646 0.000 0.901 29 L HN 0.198 nan 8.230 nan 0.000 0.433 30 K N -0.426 119.859 120.400 -0.191 0.000 2.103 30 K HA -0.095 4.225 4.320 -0.000 0.000 0.204 30 K C 1.937 178.481 176.600 -0.093 0.000 1.052 30 K CA 0.875 57.009 56.287 -0.255 0.000 0.945 30 K CB -0.095 32.312 32.500 -0.155 0.000 0.722 30 K HN 0.277 nan 8.250 nan 0.000 0.443 31 N N 0.616 119.307 118.700 -0.015 0.000 2.120 31 N HA -0.130 4.610 4.740 -0.000 0.000 0.188 31 N C 1.815 177.355 175.510 0.051 0.000 1.024 31 N CA 1.081 54.147 53.050 0.027 0.000 0.852 31 N CB -0.007 38.498 38.487 0.030 0.000 1.003 31 N HN -0.045 nan 8.380 nan 0.000 0.424 32 V N 2.001 121.971 119.914 0.094 0.000 2.358 32 V HA -0.172 3.948 4.120 -0.000 0.000 0.246 32 V C 2.468 178.609 176.094 0.078 0.000 1.047 32 V CA 1.084 63.461 62.300 0.127 0.000 1.035 32 V CB -0.446 31.518 31.823 0.236 0.000 0.658 32 V HN 0.237 nan 8.190 nan 0.000 0.452 33 L N 0.438 121.648 121.223 -0.021 0.000 2.042 33 L HA -0.132 4.208 4.340 -0.000 0.000 0.210 33 L C 2.583 179.480 176.870 0.045 0.000 1.076 33 L CA 1.826 56.563 54.840 -0.172 0.000 0.749 33 L CB -1.037 40.699 42.059 -0.538 0.000 0.893 33 L HN 0.482 nan 8.230 nan 0.000 0.432 34 G N -0.762 108.087 108.800 0.082 0.000 2.443 34 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.219 34 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.219 34 G C 1.693 176.671 174.900 0.130 0.000 1.131 34 G CA 0.811 46.005 45.100 0.156 0.000 0.775 34 G HN 0.505 nan 8.290 nan 0.000 0.547 35 S N -0.838 114.913 115.700 0.086 0.000 2.555 35 S HA 0.035 4.505 4.470 -0.000 0.000 0.230 35 S C 1.592 176.113 174.600 -0.130 0.000 0.978 35 S CA 0.424 58.610 58.200 -0.022 0.000 0.934 35 S CB -0.397 62.761 63.200 -0.071 0.000 0.766 35 S HN 0.406 nan 8.310 nan 0.000 0.533 36 Y N 1.213 121.513 120.300 -0.000 0.000 2.467 36 Y HA 0.429 4.979 4.550 -0.000 0.000 0.250 36 Y C 1.769 177.839 175.900 0.282 0.000 1.155 36 Y CA -0.367 57.770 58.100 0.061 0.000 1.249 36 Y CB 0.286 38.649 38.460 -0.161 0.000 1.146 36 Y HN 0.369 nan 8.280 nan 0.000 0.524 37 G N -0.371 108.633 108.800 0.340 0.000 2.160 37 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.251 37 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.251 37 G C -0.264 174.857 174.900 0.369 0.000 1.008 37 G CA -0.177 45.098 45.100 0.291 0.000 0.724 37 G HN 0.229 nan 8.290 nan 0.000 0.514 38 Y N 0.857 121.288 120.300 0.218 0.000 2.300 38 Y HA 0.587 5.137 4.550 -0.000 0.000 0.328 38 Y C 1.061 177.174 175.900 0.354 0.000 1.270 38 Y CA -0.515 57.750 58.100 0.275 0.000 1.352 38 Y CB 1.462 40.111 38.460 0.315 0.000 1.286 38 Y HN 0.138 nan 8.280 nan 0.000 0.536 39 S N 0.994 116.906 115.700 0.354 0.000 2.503 39 S HA 0.250 4.720 4.470 -0.000 0.000 0.301 39 S C -0.689 173.788 174.600 -0.205 0.000 1.087 39 S CA -1.091 57.210 58.200 0.168 0.000 1.042 39 S CB 1.508 64.742 63.200 0.057 0.000 1.043 39 S HN 0.604 nan 8.310 nan 0.000 0.489 40 E N 2.038 121.907 120.200 -0.552 0.000 2.366 40 E HA 0.485 4.835 4.350 -0.000 0.000 0.266 40 E C -1.010 175.280 176.600 -0.518 0.000 1.051 40 E CA -0.280 55.388 56.400 -1.220 0.000 0.884 40 E CB 0.672 29.543 29.700 -1.382 0.000 1.006 40 E HN 0.604 nan 8.360 nan 0.000 0.417 41 I N 2.458 122.786 120.570 -0.403 0.000 2.828 41 I HA 0.473 4.643 4.170 -0.000 0.000 0.302 41 I C -1.262 174.786 176.117 -0.116 0.000 1.101 41 I CA -0.960 60.240 61.300 -0.166 0.000 1.031 41 I CB 1.599 39.573 38.000 -0.043 0.000 1.231 41 I HN 0.561 nan 8.210 nan 0.000 0.427 42 R N 6.730 127.180 120.500 -0.084 0.000 2.532 42 R HA 0.701 5.041 4.340 -0.000 0.000 0.297 42 R C -1.579 174.692 176.300 -0.049 0.000 0.984 42 R CA -0.663 55.406 56.100 -0.052 0.000 0.884 42 R CB 2.091 32.362 30.300 -0.048 0.000 1.182 42 R HN 0.512 nan 8.270 nan 0.000 0.442 43 L N 2.053 123.247 121.223 -0.047 0.000 2.283 43 L HA 0.664 5.004 4.340 -0.000 0.000 0.259 43 L C -2.172 174.688 176.870 -0.017 0.000 1.027 43 L CA -2.454 52.361 54.840 -0.042 0.000 0.828 43 L CB 1.528 43.542 42.059 -0.075 0.000 1.380 43 L HN 0.315 nan 8.230 nan 0.000 0.425 44 P HA 0.208 nan 4.420 nan 0.000 0.271 44 P C 0.555 177.889 177.300 0.057 0.000 1.218 44 P CA -0.483 62.634 63.100 0.028 0.000 0.780 44 P CB 0.762 32.479 31.700 0.028 0.000 0.901 45 I N 1.251 121.862 120.570 0.069 0.000 2.202 45 I HA -0.065 4.105 4.170 -0.000 0.000 0.242 45 I C 1.240 177.418 176.117 0.102 0.000 1.091 45 I CA 1.387 62.748 61.300 0.102 0.000 1.368 45 I CB -0.817 37.234 38.000 0.085 0.000 1.058 45 I HN 0.180 nan 8.210 nan 0.000 0.410 46 V N -0.175 119.790 119.914 0.084 0.000 2.617 46 V HA 0.558 4.678 4.120 -0.000 0.000 0.298 46 V C -0.226 175.927 176.094 0.099 0.000 1.048 46 V CA -0.430 61.935 62.300 0.108 0.000 0.964 46 V CB 2.344 34.236 31.823 0.115 0.000 1.004 46 V HN 0.203 nan 8.190 nan 0.000 0.466 47 E N 1.902 122.175 120.200 0.122 0.000 2.458 47 E HA 0.377 4.727 4.350 -0.000 0.000 0.278 47 E C -1.319 175.253 176.600 -0.045 0.000 1.004 47 E CA -0.839 55.564 56.400 0.005 0.000 0.823 47 E CB 2.072 31.701 29.700 -0.118 0.000 1.396 47 E HN 0.863 nan 8.360 nan 0.000 0.463 48 Q N 0.456 120.176 119.800 -0.134 0.000 2.332 48 Q HA 0.157 4.497 4.340 -0.000 0.000 0.263 48 Q C 0.852 176.784 176.000 -0.113 0.000 0.979 48 Q CA 0.193 55.921 55.803 -0.124 0.000 0.885 48 Q CB 0.693 29.356 28.738 -0.126 0.000 1.218 48 Q HN 0.488 nan 8.270 nan 0.000 0.405 49 T N 3.658 118.187 114.554 -0.041 0.000 2.653 49 T HA -0.158 4.192 4.350 -0.000 0.000 0.268 49 T C -0.958 173.753 174.700 0.018 0.000 1.035 49 T CA 1.589 63.720 62.100 0.053 0.000 1.154 49 T CB -1.047 67.833 68.868 0.019 0.000 0.862 49 T HN 0.634 nan 8.240 nan 0.000 0.441 50 P HA -0.087 nan 4.420 nan 0.000 0.217 50 P C 1.761 179.006 177.300 -0.091 0.000 1.148 50 P CA 0.841 63.914 63.100 -0.045 0.000 0.828 50 P CB -0.224 31.444 31.700 -0.054 0.000 0.783 51 L N -0.794 120.298 121.223 -0.218 0.000 2.043 51 L HA -0.150 4.190 4.340 -0.000 0.000 0.212 51 L C 2.313 179.003 176.870 -0.301 0.000 1.075 51 L CA 2.017 56.655 54.840 -0.336 0.000 0.752 51 L CB -1.532 40.177 42.059 -0.584 0.000 0.891 51 L HN -0.219 nan 8.230 nan 0.000 0.432 52 F N -0.055 119.903 119.950 0.014 0.000 2.206 52 F HA -0.045 4.482 4.527 -0.000 0.000 0.298 52 F C 2.405 178.224 175.800 0.031 0.000 1.090 52 F CA 1.124 59.145 58.000 0.034 0.000 1.323 52 F CB -0.814 38.210 39.000 0.040 0.000 1.028 52 F HN 0.031 nan 8.300 nan 0.000 0.492 53 K N 0.058 120.563 120.400 0.174 0.000 2.057 53 K HA -0.132 4.188 4.320 -0.000 0.000 0.207 53 K C 2.243 178.888 176.600 0.075 0.000 1.049 53 K CA 1.266 57.616 56.287 0.105 0.000 0.931 53 K CB -0.130 32.407 32.500 0.061 0.000 0.714 53 K HN 0.183 nan 8.250 nan 0.000 0.440 54 R N 0.005 120.534 120.500 0.047 0.000 2.073 54 R HA -0.012 4.328 4.340 -0.000 0.000 0.229 54 R C 2.352 178.689 176.300 0.061 0.000 1.120 54 R CA 1.135 57.256 56.100 0.034 0.000 0.967 54 R CB -0.227 30.073 30.300 -0.000 0.000 0.862 54 R HN 0.156 nan 8.270 nan 0.000 0.436 55 A N 1.381 124.251 122.820 0.083 0.000 1.855 55 A HA -0.039 4.281 4.320 -0.000 0.000 0.213 55 A C 2.171 179.897 177.584 0.237 0.000 1.195 55 A CA 0.859 52.983 52.037 0.145 0.000 0.610 55 A CB -0.376 18.698 19.000 0.123 0.000 0.837 55 A HN 0.110 nan 8.150 nan 0.000 0.444 56 I N -0.871 119.825 120.570 0.211 0.000 2.353 56 I HA 0.134 4.304 4.170 -0.000 0.000 0.248 56 I C 1.240 177.372 176.117 0.026 0.000 1.119 56 I CA 1.029 62.389 61.300 0.100 0.000 1.417 56 I CB -0.484 37.582 38.000 0.110 0.000 1.078 56 I HN 0.519 nan 8.210 nan 0.000 0.421 57 G N 1.095 109.930 108.800 0.058 0.000 2.906 57 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.686 57 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.686 57 G C 0.040 174.959 174.900 0.032 0.000 1.170 57 G CA -0.651 44.469 45.100 0.034 0.000 0.775 57 G HN 0.203 nan 8.290 nan 0.000 0.630 58 E N 0.434 120.650 120.200 0.028 0.000 2.427 58 E HA -0.037 4.313 4.350 -0.000 0.000 0.196 58 E C 2.267 178.875 176.600 0.014 0.000 1.028 58 E CA 1.056 57.470 56.400 0.023 0.000 0.864 58 E CB 0.581 30.293 29.700 0.020 0.000 0.813 58 E HN 0.541 nan 8.360 nan 0.000 0.514 59 V N 2.042 121.962 119.914 0.010 0.000 3.608 59 V HA -0.035 4.085 4.120 -0.000 0.000 0.269 59 V C 0.886 176.982 176.094 0.003 0.000 1.245 59 V CA 0.861 63.164 62.300 0.006 0.000 1.138 59 V CB -0.129 31.697 31.823 0.006 0.000 0.841 59 V HN 0.241 nan 8.190 nan 0.000 0.451 60 T N -2.709 111.846 114.554 0.003 0.000 2.868 60 T HA 0.137 4.487 4.350 -0.000 0.000 0.292 60 T C 0.794 175.495 174.700 0.001 0.000 1.028 60 T CA -0.147 61.952 62.100 -0.001 0.000 1.059 60 T CB 0.980 69.843 68.868 -0.009 0.000 0.991 60 T HN 0.261 nan 8.240 nan 0.000 0.531 61 D N 0.775 121.175 120.400 -0.000 0.000 2.183 61 D HA -0.053 4.587 4.640 -0.000 0.000 0.203 61 D C 2.239 178.543 176.300 0.005 0.000 0.969 61 D CA 0.554 54.554 54.000 -0.000 0.000 0.842 61 D CB -0.186 40.613 40.800 -0.001 0.000 0.957 61 D HN 0.381 nan 8.370 nan 0.000 0.484 62 V N 0.908 120.829 119.914 0.012 0.000 2.233 62 V HA -0.243 3.877 4.120 -0.000 0.000 0.247 62 V C 2.693 178.798 176.094 0.018 0.000 1.050 62 V CA 1.327 63.641 62.300 0.022 0.000 1.010 62 V CB -0.589 31.250 31.823 0.026 0.000 0.637 62 V HN 0.054 nan 8.190 nan 0.000 0.444 63 V N -0.664 119.263 119.914 0.023 0.000 2.358 63 V HA -0.236 3.884 4.120 -0.000 0.000 0.246 63 V C 2.366 178.468 176.094 0.013 0.000 1.047 63 V CA 1.988 64.307 62.300 0.032 0.000 1.035 63 V CB -0.596 31.259 31.823 0.052 0.000 0.658 63 V HN 0.582 nan 8.190 nan 0.000 0.452 64 E N 0.774 120.977 120.200 0.005 0.000 2.023 64 E HA -0.221 4.129 4.350 -0.000 0.000 0.196 64 E C 1.578 178.163 176.600 -0.024 0.000 1.003 64 E CA 1.735 58.131 56.400 -0.007 0.000 0.809 64 E CB 0.040 29.736 29.700 -0.008 0.000 0.755 64 E HN 0.729 nan 8.360 nan 0.000 0.449 65 K N -1.249 119.133 120.400 -0.029 0.000 2.619 65 K HA 0.262 4.582 4.320 -0.000 0.000 0.201 65 K C 0.257 176.817 176.600 -0.066 0.000 1.090 65 K CA -0.029 56.222 56.287 -0.059 0.000 1.063 65 K CB 0.904 33.370 32.500 -0.056 0.000 0.810 65 K HN -0.079 nan 8.250 nan 0.000 0.506 66 E N 0.722 120.904 120.200 -0.031 0.000 2.639 66 E HA 0.260 4.610 4.350 -0.000 0.000 0.225 66 E C -0.314 176.303 176.600 0.029 0.000 0.921 66 E CA -0.186 56.220 56.400 0.010 0.000 1.184 66 E CB 0.662 30.395 29.700 0.056 0.000 1.160 66 E HN 0.250 nan 8.360 nan 0.000 0.547 67 M N 0.997 120.598 119.600 0.001 0.000 2.249 67 M HA 0.252 4.732 4.480 -0.000 0.000 0.351 67 M C -0.769 175.551 176.300 0.034 0.000 1.180 67 M CA -0.276 55.050 55.300 0.045 0.000 1.127 67 M CB 0.592 33.209 32.600 0.027 0.000 1.546 67 M HN -0.045 nan 8.290 nan 0.000 0.461 68 Y N 1.482 121.851 120.300 0.116 0.000 2.595 68 Y HA 0.235 4.785 4.550 -0.000 0.000 0.347 68 Y C 0.265 176.276 175.900 0.184 0.000 1.025 68 Y CA -0.063 58.134 58.100 0.161 0.000 1.295 68 Y CB 0.331 38.871 38.460 0.133 0.000 1.147 68 Y HN 0.520 nan 8.280 nan 0.000 0.515 69 T N 5.392 120.092 114.554 0.244 0.000 2.855 69 T HA 0.716 5.066 4.350 -0.000 0.000 0.281 69 T C -0.863 173.974 174.700 0.229 0.000 1.007 69 T CA -0.552 61.628 62.100 0.134 0.000 1.009 69 T CB 0.891 69.785 68.868 0.043 0.000 0.983 69 T HN 0.398 nan 8.240 nan 0.000 0.455 70 F N -0.831 119.151 119.950 0.053 0.000 2.741 70 F HA 0.725 5.252 4.527 -0.000 0.000 0.313 70 F C -0.851 174.965 175.800 0.027 0.000 1.153 70 F CA -1.445 56.577 58.000 0.038 0.000 0.931 70 F CB 1.284 40.308 39.000 0.039 0.000 1.335 70 F HN 0.457 nan 8.300 nan 0.000 0.460 71 E N 1.272 121.583 120.200 0.185 0.000 2.216 71 E HA 0.237 4.587 4.350 -0.000 0.000 0.279 71 E C -1.165 175.522 176.600 0.146 0.000 0.997 71 E CA -0.668 55.775 56.400 0.073 0.000 0.817 71 E CB 1.079 30.819 29.700 0.067 0.000 1.096 71 E HN 0.623 nan 8.360 nan 0.000 0.393 72 D N 1.886 122.315 120.400 0.048 0.000 2.414 72 D HA 0.101 4.741 4.640 -0.000 0.000 0.251 72 D C 0.301 176.638 176.300 0.063 0.000 1.252 72 D CA -0.027 54.019 54.000 0.077 0.000 0.999 72 D CB 0.779 41.590 40.800 0.018 0.000 1.093 72 D HN 0.393 nan 8.370 nan 0.000 0.515 73 R N 0.085 120.617 120.500 0.054 0.000 2.391 73 R HA 0.076 4.416 4.340 -0.000 0.000 0.225 73 R C 0.406 176.719 176.300 0.022 0.000 1.079 73 R CA 0.269 56.391 56.100 0.037 0.000 1.147 73 R CB -0.615 29.704 30.300 0.032 0.000 1.103 73 R HN 0.425 nan 8.270 nan 0.000 0.499 74 N N -3.075 115.635 118.700 0.016 0.000 2.162 74 N HA 0.064 4.804 4.740 -0.000 0.000 0.232 74 N C 0.711 176.222 175.510 0.000 0.000 1.361 74 N CA 0.137 53.191 53.050 0.006 0.000 0.786 74 N CB 1.278 39.766 38.487 0.001 0.000 1.290 74 N HN 0.072 nan 8.380 nan 0.000 0.505 75 G N 0.876 109.678 108.800 0.003 0.000 2.268 75 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.240 75 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.240 75 G C -0.387 174.502 174.900 -0.018 0.000 1.010 75 G CA 0.212 45.310 45.100 -0.003 0.000 0.618 75 G HN 0.441 nan 8.290 nan 0.000 0.516 76 D N 1.257 121.641 120.400 -0.028 0.000 2.525 76 D HA 0.324 4.964 4.640 -0.000 0.000 0.235 76 D C 0.504 176.753 176.300 -0.084 0.000 1.137 76 D CA 1.002 54.971 54.000 -0.051 0.000 0.868 76 D CB 1.256 42.024 40.800 -0.054 0.000 1.180 76 D HN 0.208 nan 8.370 nan 0.000 0.465 77 S N 1.841 117.484 115.700 -0.094 0.000 2.474 77 S HA 0.298 4.768 4.470 -0.000 0.000 0.276 77 S C -0.502 173.972 174.600 -0.210 0.000 1.227 77 S CA -0.781 57.339 58.200 -0.134 0.000 1.050 77 S CB 0.123 63.273 63.200 -0.083 0.000 0.939 77 S HN 0.181 nan 8.310 nan 0.000 0.490 78 L N 4.408 125.383 121.223 -0.415 0.000 2.334 78 L HA 0.639 4.979 4.340 -0.000 0.000 0.273 78 L C 0.185 176.701 176.870 -0.589 0.000 1.013 78 L CA -0.068 54.414 54.840 -0.596 0.000 0.816 78 L CB 1.939 43.365 42.059 -1.056 0.000 1.278 78 L HN 0.602 nan 8.230 nan 0.000 0.431 79 T N 2.953 117.373 114.554 -0.223 0.000 3.011 79 T HA 0.388 4.738 4.350 -0.000 0.000 0.303 79 T C -0.781 174.018 174.700 0.166 0.000 0.997 79 T CA -0.504 61.620 62.100 0.039 0.000 1.007 79 T CB 1.266 70.271 68.868 0.229 0.000 1.017 79 T HN 0.109 nan 8.240 nan 0.000 0.443 80 L N 4.625 125.940 121.223 0.153 0.000 2.562 80 L HA 0.210 4.550 4.340 -0.000 0.000 0.271 80 L C 1.277 178.158 176.870 0.019 0.000 1.167 80 L CA 0.052 54.884 54.840 -0.013 0.000 0.917 80 L CB -0.219 41.653 42.059 -0.312 0.000 1.187 80 L HN 0.613 nan 8.230 nan 0.000 0.482 81 R N 6.581 127.123 120.500 0.069 0.000 2.504 81 R HA 0.035 4.375 4.340 -0.000 0.000 0.291 81 R C -2.000 174.225 176.300 -0.124 0.000 0.974 81 R CA -0.669 55.351 56.100 -0.134 0.000 1.077 81 R CB 0.010 30.413 30.300 0.172 0.000 0.926 81 R HN 0.446 nan 8.270 nan 0.000 0.407 82 P HA -0.004 nan 4.420 nan 0.000 0.257 82 P C -0.905 176.408 177.300 0.022 0.000 1.241 82 P CA 0.628 63.681 63.100 -0.079 0.000 0.816 82 P CB 0.434 32.050 31.700 -0.140 0.000 1.150 83 E N -2.868 117.316 120.200 -0.026 0.000 2.442 83 E HA 0.555 4.905 4.350 -0.000 0.000 0.278 83 E C 0.233 176.900 176.600 0.112 0.000 1.082 83 E CA -0.886 55.586 56.400 0.120 0.000 0.861 83 E CB -0.191 29.632 29.700 0.204 0.000 1.462 83 E HN -0.221 nan 8.360 nan 0.000 0.458 84 G N -0.714 108.162 108.800 0.127 0.000 2.848 84 G HA2 0.048 4.008 3.960 -0.000 0.000 0.213 84 G HA3 0.048 4.008 3.960 -0.000 0.000 0.213 84 G C 0.795 175.664 174.900 -0.052 0.000 1.101 84 G CA 0.697 45.711 45.100 -0.142 0.000 0.778 84 G HN 0.425 nan 8.290 nan 0.000 0.536 85 T N 1.996 116.641 114.554 0.152 0.000 2.674 85 T HA -0.038 4.312 4.350 -0.000 0.000 0.265 85 T C 2.848 177.547 174.700 -0.001 0.000 1.039 85 T CA 1.554 63.693 62.100 0.064 0.000 1.150 85 T CB -0.391 68.375 68.868 -0.170 0.000 0.864 85 T HN 0.311 nan 8.240 nan 0.000 0.427 86 A N 1.681 124.523 122.820 0.037 0.000 1.884 86 A HA -0.026 4.294 4.320 -0.000 0.000 0.219 86 A C 2.670 180.229 177.584 -0.041 0.000 1.197 86 A CA 2.148 54.182 52.037 -0.005 0.000 0.637 86 A CB -1.540 17.497 19.000 0.063 0.000 0.827 86 A HN 0.536 nan 8.150 nan 0.000 0.450 87 G N -1.529 107.268 108.800 -0.006 0.000 2.432 87 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.219 87 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.219 87 G C 1.731 176.618 174.900 -0.022 0.000 1.135 87 G CA 1.253 46.328 45.100 -0.041 0.000 0.767 87 G HN 0.637 nan 8.290 nan 0.000 0.550 88 C N -0.024 119.286 119.300 0.017 0.000 2.440 88 C HA 0.069 4.529 4.460 -0.000 0.000 0.278 88 C C 3.036 178.076 174.990 0.082 0.000 1.295 88 C CA 1.116 60.191 59.018 0.095 0.000 1.738 88 C CB -0.860 27.046 27.740 0.277 0.000 1.987 88 C HN 0.237 nan 8.230 nan 0.000 0.492 89 V N 1.399 121.372 119.914 0.097 0.000 2.407 89 V HA -0.102 4.018 4.120 -0.000 0.000 0.245 89 V C 2.828 178.895 176.094 -0.046 0.000 1.041 89 V CA 1.885 64.206 62.300 0.035 0.000 1.040 89 V CB -0.937 30.955 31.823 0.116 0.000 0.671 89 V HN 0.509 nan 8.190 nan 0.000 0.455 90 R N 0.786 121.255 120.500 -0.051 0.000 2.127 90 R HA -0.162 4.178 4.340 -0.000 0.000 0.238 90 R C 2.028 178.295 176.300 -0.056 0.000 1.134 90 R CA 1.855 57.909 56.100 -0.077 0.000 0.975 90 R CB -0.279 29.953 30.300 -0.112 0.000 0.865 90 R HN 0.496 nan 8.270 nan 0.000 0.447 91 A N -0.463 122.347 122.820 -0.016 0.000 2.030 91 A HA 0.119 4.439 4.320 -0.000 0.000 0.215 91 A C 2.187 179.813 177.584 0.070 0.000 1.164 91 A CA 0.898 52.979 52.037 0.075 0.000 0.697 91 A CB -0.354 18.697 19.000 0.085 0.000 0.827 91 A HN 0.496 nan 8.150 nan 0.000 0.457 92 G N 0.162 108.926 108.800 -0.061 0.000 2.421 92 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.217 92 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.217 92 G C 1.434 176.269 174.900 -0.108 0.000 1.143 92 G CA 1.084 46.098 45.100 -0.145 0.000 0.784 92 G HN 0.460 nan 8.290 nan 0.000 0.541 93 I N 0.001 120.509 120.570 -0.104 0.000 2.235 93 I HA -0.012 4.158 4.170 -0.000 0.000 0.241 93 I C 2.525 178.575 176.117 -0.112 0.000 1.085 93 I CA 0.933 62.173 61.300 -0.100 0.000 1.378 93 I CB -0.228 37.714 38.000 -0.098 0.000 1.076 93 I HN 0.170 nan 8.210 nan 0.000 0.415 94 E N 0.538 120.651 120.200 -0.144 0.000 2.171 94 E HA -0.249 4.101 4.350 -0.000 0.000 0.197 94 E C 1.443 177.796 176.600 -0.412 0.000 0.997 94 E CA 1.292 57.525 56.400 -0.278 0.000 0.810 94 E CB 0.099 29.591 29.700 -0.347 0.000 0.738 94 E HN 0.576 nan 8.360 nan 0.000 0.467 95 H N -1.588 117.446 119.070 -0.060 0.000 2.542 95 H HA 0.194 4.750 4.556 0.000 0.000 0.283 95 H C 0.610 175.914 175.328 -0.041 0.000 1.059 95 H CA 0.480 56.500 56.048 -0.047 0.000 1.162 95 H CB 0.902 30.636 29.762 -0.047 0.000 1.539 95 H HN 0.248 nan 8.280 nan 0.000 0.543 96 G N 2.204 111.014 108.800 0.016 0.000 2.372 96 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.290 96 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.290 96 G C 0.750 175.672 174.900 0.037 0.000 0.965 96 G CA 0.316 45.431 45.100 0.025 0.000 1.263 96 G HN 0.440 nan 8.290 nan 0.000 0.498 97 L N -1.087 120.135 121.223 -0.002 0.000 2.556 97 L HA 0.260 4.600 4.340 -0.000 0.000 0.226 97 L C 2.563 179.394 176.870 -0.064 0.000 1.089 97 L CA 0.237 55.058 54.840 -0.031 0.000 0.864 97 L CB -0.059 41.961 42.059 -0.064 0.000 1.067 97 L HN 0.436 nan 8.230 nan 0.000 0.477 98 L N -1.765 119.407 121.223 -0.086 0.000 2.253 98 L HA 0.024 4.364 4.340 -0.000 0.000 0.205 98 L C 0.865 177.766 176.870 0.051 0.000 1.078 98 L CA -0.141 54.642 54.840 -0.094 0.000 0.805 98 L CB -0.363 41.564 42.059 -0.221 0.000 0.963 98 L HN 0.019 nan 8.230 nan 0.000 0.459 99 Y N 3.574 123.836 120.300 -0.065 0.000 2.846 99 Y HA -0.147 4.403 4.550 -0.000 0.000 0.352 99 Y C 0.646 176.533 175.900 -0.022 0.000 1.298 99 Y CA -0.167 57.911 58.100 -0.037 0.000 1.634 99 Y CB -1.125 37.315 38.460 -0.034 0.000 1.214 99 Y HN 0.252 nan 8.280 nan 0.000 0.529 100 N N 3.488 122.086 118.700 -0.170 0.000 2.705 100 N HA -0.269 4.471 4.740 -0.000 0.000 0.255 100 N C -1.224 174.203 175.510 -0.138 0.000 1.008 100 N CA 1.366 54.262 53.050 -0.256 0.000 0.742 100 N CB -0.539 37.628 38.487 -0.533 0.000 0.906 100 N HN 0.740 nan 8.380 nan 0.000 0.541 101 Q N -0.605 119.167 119.800 -0.047 0.000 2.511 101 Q HA 0.415 4.755 4.340 -0.000 0.000 0.289 101 Q C -0.973 175.036 176.000 0.016 0.000 1.021 101 Q CA -0.876 54.912 55.803 -0.025 0.000 0.785 101 Q CB 2.185 30.909 28.738 -0.025 0.000 1.472 101 Q HN 0.294 nan 8.270 nan 0.000 0.411 102 E N 1.330 121.538 120.200 0.014 0.000 2.183 102 E HA 0.290 4.640 4.350 -0.000 0.000 0.271 102 E C -1.227 175.393 176.600 0.033 0.000 0.919 102 E CA -0.473 55.946 56.400 0.032 0.000 0.781 102 E CB 1.074 30.778 29.700 0.006 0.000 1.140 102 E HN 0.290 nan 8.360 nan 0.000 0.402 103 Q N 3.234 123.080 119.800 0.077 0.000 2.289 103 Q HA 0.383 4.723 4.340 -0.000 0.000 0.270 103 Q C -1.045 174.962 176.000 0.012 0.000 1.038 103 Q CA -0.577 55.267 55.803 0.068 0.000 0.812 103 Q CB 2.245 31.071 28.738 0.147 0.000 1.300 103 Q HN 0.577 nan 8.270 nan 0.000 0.427 104 R N 2.411 122.824 120.500 -0.144 0.000 2.363 104 R HA 0.527 4.867 4.340 -0.000 0.000 0.297 104 R C -0.289 175.880 176.300 -0.218 0.000 1.208 104 R CA -0.251 55.562 56.100 -0.479 0.000 1.121 104 R CB 0.852 30.487 30.300 -1.107 0.000 1.124 104 R HN 0.403 nan 8.270 nan 0.000 0.561 105 L N 2.463 123.715 121.223 0.048 0.000 2.332 105 L HA 0.678 5.018 4.340 -0.000 0.000 0.269 105 L C -0.231 176.845 176.870 0.344 0.000 1.016 105 L CA -0.980 53.973 54.840 0.189 0.000 0.809 105 L CB 1.285 43.468 42.059 0.207 0.000 1.280 105 L HN 0.543 nan 8.230 nan 0.000 0.447 106 W N 1.402 122.789 121.300 0.145 0.000 3.479 106 W HA 0.550 5.210 4.660 -0.000 0.000 0.304 106 W C -2.480 174.105 176.519 0.110 0.000 1.243 106 W CA -1.060 56.300 57.345 0.024 0.000 1.202 106 W CB 0.788 30.299 29.460 0.084 0.000 1.346 106 W HN 0.529 nan 8.180 nan 0.000 0.539 107 Y N 1.975 122.491 120.300 0.360 0.000 2.562 107 Y HA 0.862 5.412 4.550 -0.000 0.000 0.345 107 Y C -1.724 174.402 175.900 0.376 0.000 1.045 107 Y CA -2.330 55.869 58.100 0.164 0.000 1.028 107 Y CB 1.843 40.355 38.460 0.086 0.000 1.297 107 Y HN 0.545 nan 8.280 nan 0.000 0.463 108 I N 1.629 122.526 120.570 0.545 0.000 2.619 108 I HA 0.904 5.074 4.170 -0.000 0.000 0.292 108 I C -0.479 175.829 176.117 0.318 0.000 1.100 108 I CA -0.372 61.206 61.300 0.462 0.000 1.043 108 I CB 1.980 40.267 38.000 0.478 0.000 1.239 108 I HN 1.159 nan 8.210 nan 0.000 0.420 109 G N 6.352 115.313 108.800 0.269 0.000 2.315 109 G HA2 0.262 4.222 3.960 -0.000 0.000 0.294 109 G HA3 0.262 4.222 3.960 -0.000 0.000 0.294 109 G C -3.411 171.517 174.900 0.047 0.000 1.300 109 G CA -0.687 44.516 45.100 0.170 0.000 0.843 109 G HN 0.382 nan 8.290 nan 0.000 0.527 110 P HA 0.559 nan 4.420 nan 0.000 0.276 110 P C -0.814 176.129 177.300 -0.595 0.000 1.244 110 P CA -0.136 62.633 63.100 -0.553 0.000 0.801 110 P CB 1.268 32.671 31.700 -0.494 0.000 1.006 111 M N 1.076 120.009 119.600 -1.112 0.000 2.531 111 M HA 0.475 4.955 4.480 -0.000 0.000 0.286 111 M C -1.039 174.575 176.300 -1.142 0.000 1.232 111 M CA -0.389 54.357 55.300 -0.923 0.000 0.877 111 M CB 1.761 33.686 32.600 -1.125 0.000 1.726 111 M HN 0.195 nan 8.290 nan 0.000 0.463 112 F N 1.029 120.852 119.950 -0.212 0.000 2.547 112 F HA 0.695 5.222 4.527 -0.000 0.000 0.316 112 F C -0.162 175.827 175.800 0.316 0.000 1.121 112 F CA -0.663 57.365 58.000 0.046 0.000 0.911 112 F CB 1.802 40.747 39.000 -0.092 0.000 1.179 112 F HN 0.370 nan 8.300 nan 0.000 0.443 113 R N 0.683 121.553 120.500 0.615 0.000 2.522 113 R HA 0.169 4.509 4.340 -0.000 0.000 0.283 113 R C -1.447 175.121 176.300 0.447 0.000 1.074 113 R CA -0.913 55.470 56.100 0.472 0.000 0.925 113 R CB 1.982 32.501 30.300 0.364 0.000 1.205 113 R HN 0.805 nan 8.270 nan 0.000 0.436 114 H N 2.094 121.268 119.070 0.174 0.000 3.092 114 H HA 0.150 4.706 4.556 -0.000 0.000 0.263 114 H C -0.471 174.870 175.328 0.021 0.000 1.611 114 H CA 0.262 56.318 56.048 0.013 0.000 1.457 114 H CB 0.386 29.922 29.762 -0.377 0.000 1.731 114 H HN 0.426 nan 8.280 nan 0.000 0.532 115 E N 1.952 122.265 120.200 0.189 0.000 2.303 115 E HA 0.246 4.596 4.350 -0.000 0.000 0.254 115 E C -0.486 176.160 176.600 0.076 0.000 0.979 115 E CA -1.398 55.070 56.400 0.113 0.000 0.843 115 E CB 1.532 31.256 29.700 0.040 0.000 1.245 115 E HN 0.437 nan 8.360 nan 0.000 0.413 116 R N 1.977 122.497 120.500 0.033 0.000 2.242 116 R HA 0.217 4.557 4.340 -0.000 0.000 0.334 116 R C -2.369 173.904 176.300 -0.045 0.000 1.071 116 R CA -1.590 54.514 56.100 0.008 0.000 0.922 116 R CB 0.197 30.498 30.300 0.002 0.000 1.023 116 R HN 0.153 nan 8.270 nan 0.000 0.458 117 P HA -0.124 nan 4.420 nan 0.000 0.263 117 P C -0.843 176.367 177.300 -0.150 0.000 1.168 117 P CA 0.703 63.730 63.100 -0.120 0.000 0.759 117 P CB 0.621 32.283 31.700 -0.063 0.000 0.782 118 Q N 1.472 121.114 119.800 -0.263 0.000 2.833 118 Q HA 0.208 4.548 4.340 -0.000 0.000 0.340 118 Q C 0.691 176.510 176.000 -0.303 0.000 0.800 118 Q CA -0.870 54.807 55.803 -0.211 0.000 0.821 118 Q CB 0.379 29.025 28.738 -0.153 0.000 1.340 118 Q HN 0.068 nan 8.270 nan 0.000 0.515 119 K N 0.685 120.984 120.400 -0.168 0.000 1.969 119 K HA -0.080 4.240 4.320 -0.000 0.000 0.216 119 K C 1.581 178.117 176.600 -0.105 0.000 1.048 119 K CA 2.154 58.384 56.287 -0.094 0.000 0.948 119 K CB -0.964 31.519 32.500 -0.029 0.000 0.726 119 K HN 0.828 nan 8.250 nan 0.000 0.442 120 G N 0.930 109.679 108.800 -0.084 0.000 3.434 120 G HA2 0.077 4.037 3.960 -0.000 0.000 0.258 120 G HA3 0.077 4.037 3.960 -0.000 0.000 0.258 120 G C 0.004 174.861 174.900 -0.072 0.000 1.128 120 G CA -0.268 44.855 45.100 0.039 0.000 0.792 120 G HN 0.072 nan 8.290 nan 0.000 0.539 121 R N 0.062 120.322 120.500 -0.400 0.000 2.439 121 R HA 0.539 4.879 4.340 -0.000 0.000 0.310 121 R C -1.527 174.415 176.300 -0.597 0.000 0.955 121 R CA -0.492 55.392 56.100 -0.360 0.000 0.853 121 R CB 1.659 31.813 30.300 -0.245 0.000 1.171 121 R HN 0.246 nan 8.270 nan 0.000 0.449 122 Y N 0.081 120.383 120.300 0.004 0.000 2.605 122 Y HA 0.382 4.932 4.550 -0.000 0.000 0.343 122 Y C 1.387 177.376 175.900 0.148 0.000 1.036 122 Y CA -1.126 57.029 58.100 0.092 0.000 1.065 122 Y CB 1.699 40.253 38.460 0.156 0.000 1.288 122 Y HN 0.300 nan 8.280 nan 0.000 0.481 123 R N 0.027 120.696 120.500 0.282 0.000 2.193 123 R HA -0.031 4.309 4.340 -0.000 0.000 0.213 123 R C -0.010 176.446 176.300 0.261 0.000 1.055 123 R CA 0.646 56.919 56.100 0.290 0.000 0.995 123 R CB 0.349 30.787 30.300 0.231 0.000 0.893 123 R HN 0.575 nan 8.270 nan 0.000 0.459 124 Q N 0.801 120.682 119.800 0.135 0.000 2.320 124 Q HA 0.265 4.605 4.340 -0.000 0.000 0.268 124 Q C -1.395 174.532 176.000 -0.121 0.000 1.023 124 Q CA -0.671 54.962 55.803 -0.285 0.000 0.744 124 Q CB 0.941 29.485 28.738 -0.323 0.000 1.246 124 Q HN -0.010 nan 8.270 nan 0.000 0.462 125 F N -0.053 119.649 119.950 -0.414 0.000 2.740 125 F HA 0.710 5.237 4.527 -0.000 0.000 0.357 125 F C -1.259 174.178 175.800 -0.605 0.000 1.141 125 F CA -1.198 56.658 58.000 -0.240 0.000 1.044 125 F CB 0.954 40.007 39.000 0.087 0.000 1.430 125 F HN 0.413 nan 8.300 nan 0.000 0.518 126 H N -0.685 118.437 119.070 0.087 0.000 2.679 126 H HA 0.571 5.127 4.556 -0.000 0.000 0.360 126 H C -1.181 174.253 175.328 0.176 0.000 1.105 126 H CA -0.743 55.309 56.048 0.007 0.000 1.196 126 H CB 1.847 31.652 29.762 0.071 0.000 1.636 126 H HN 0.543 nan 8.280 nan 0.000 0.531 127 Q N 1.416 121.344 119.800 0.213 0.000 2.399 127 Q HA 0.493 4.833 4.340 -0.000 0.000 0.276 127 Q C -1.269 174.924 176.000 0.322 0.000 1.098 127 Q CA -1.321 54.669 55.803 0.311 0.000 0.827 127 Q CB 3.100 32.046 28.738 0.346 0.000 1.386 127 Q HN 0.253 nan 8.270 nan 0.000 0.443 128 L N 1.200 122.594 121.223 0.285 0.000 2.406 128 L HA 0.719 5.059 4.340 -0.000 0.000 0.270 128 L C -0.968 176.014 176.870 0.187 0.000 0.982 128 L CA 0.086 55.065 54.840 0.232 0.000 0.843 128 L CB 0.982 43.102 42.059 0.103 0.000 1.225 128 L HN 0.750 nan 8.230 nan 0.000 0.412 129 G N 3.474 112.167 108.800 -0.178 0.000 2.569 129 G HA2 0.657 4.617 3.960 -0.000 0.000 0.300 129 G HA3 0.657 4.617 3.960 -0.000 0.000 0.300 129 G C -1.506 173.025 174.900 -0.616 0.000 1.269 129 G CA -0.336 44.485 45.100 -0.465 0.000 0.959 129 G HN 0.668 nan 8.290 nan 0.000 0.478 130 C N 0.393 119.275 119.300 -0.697 0.000 2.563 130 C HA 0.817 5.277 4.460 -0.000 0.000 0.314 130 C C -0.840 173.988 174.990 -0.269 0.000 1.199 130 C CA -0.803 57.949 59.018 -0.445 0.000 1.564 130 C CB 1.561 28.896 27.740 -0.674 0.000 2.173 130 C HN 0.689 nan 8.230 nan 0.000 0.485 131 E N 1.812 121.994 120.200 -0.031 0.000 2.278 131 E HA 0.510 4.860 4.350 -0.000 0.000 0.272 131 E C -1.542 174.984 176.600 -0.124 0.000 0.890 131 E CA -0.363 56.011 56.400 -0.043 0.000 0.770 131 E CB 2.203 31.996 29.700 0.154 0.000 1.212 131 E HN 0.366 nan 8.360 nan 0.000 0.415 132 V N 3.562 123.286 119.914 -0.317 0.000 2.487 132 V HA 0.506 4.626 4.120 -0.000 0.000 0.298 132 V C -0.885 174.937 176.094 -0.453 0.000 1.028 132 V CA -0.685 61.468 62.300 -0.244 0.000 0.860 132 V CB 0.871 32.636 31.823 -0.096 0.000 0.991 132 V HN 0.487 nan 8.190 nan 0.000 0.427 133 F N 2.141 122.069 119.950 -0.037 0.000 2.495 133 F HA 0.751 5.278 4.527 -0.000 0.000 0.327 133 F C 1.060 176.838 175.800 -0.038 0.000 1.103 133 F CA 0.194 58.166 58.000 -0.046 0.000 0.949 133 F CB 2.122 41.112 39.000 -0.016 0.000 1.142 133 F HN 0.707 nan 8.300 nan 0.000 0.457 134 G N 2.179 111.060 108.800 0.135 0.000 2.176 134 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.232 134 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.232 134 G C -0.536 174.388 174.900 0.039 0.000 0.986 134 G CA -0.575 44.572 45.100 0.079 0.000 0.643 134 G HN 0.529 nan 8.290 nan 0.000 0.522 135 L N 0.834 122.070 121.223 0.021 0.000 2.318 135 L HA 0.507 4.847 4.340 -0.000 0.000 0.277 135 L C 1.280 178.173 176.870 0.039 0.000 1.008 135 L CA -0.638 54.217 54.840 0.025 0.000 0.846 135 L CB 1.573 43.644 42.059 0.019 0.000 1.220 135 L HN 0.210 nan 8.230 nan 0.000 0.423 136 Q N 2.680 122.516 119.800 0.061 0.000 1.922 136 Q HA 0.077 4.417 4.340 -0.000 0.000 0.201 136 Q C 1.297 177.434 176.000 0.229 0.000 0.979 136 Q CA 1.140 57.008 55.803 0.109 0.000 0.841 136 Q CB -0.064 28.729 28.738 0.091 0.000 0.903 136 Q HN 0.814 nan 8.270 nan 0.000 0.431 137 G N 0.961 109.845 108.800 0.139 0.000 2.765 137 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.230 137 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.230 137 G C -1.808 173.058 174.900 -0.056 0.000 1.238 137 G CA -0.332 44.787 45.100 0.032 0.000 0.854 137 G HN 0.367 nan 8.290 nan 0.000 0.579 138 P HA -0.076 nan 4.420 nan 0.000 0.226 138 P C 1.008 178.232 177.300 -0.127 0.000 1.153 138 P CA 1.349 64.241 63.100 -0.346 0.000 0.777 138 P CB 0.132 31.511 31.700 -0.536 0.000 0.794 139 D N 0.735 121.078 120.400 -0.096 0.000 2.133 139 D HA -0.218 4.422 4.640 -0.000 0.000 0.195 139 D C 1.877 178.171 176.300 -0.011 0.000 0.997 139 D CA 0.931 54.901 54.000 -0.050 0.000 0.840 139 D CB -1.411 39.370 40.800 -0.033 0.000 0.947 139 D HN 0.148 nan 8.370 nan 0.000 0.452 140 I N 1.141 121.721 120.570 0.016 0.000 2.315 140 I HA -0.174 3.996 4.170 -0.000 0.000 0.248 140 I C 0.936 177.085 176.117 0.053 0.000 1.117 140 I CA 1.234 62.564 61.300 0.049 0.000 1.404 140 I CB -0.413 37.619 38.000 0.054 0.000 1.071 140 I HN -0.203 nan 8.210 nan 0.000 0.419 141 D N 1.066 121.497 120.400 0.051 0.000 2.104 141 D HA -0.193 4.447 4.640 -0.000 0.000 0.194 141 D C 2.323 178.596 176.300 -0.044 0.000 0.994 141 D CA 1.781 55.813 54.000 0.052 0.000 0.830 141 D CB -0.485 40.369 40.800 0.089 0.000 0.959 141 D HN 0.458 nan 8.370 nan 0.000 0.452 142 A N 0.702 123.481 122.820 -0.068 0.000 1.883 142 A HA -0.292 4.028 4.320 -0.000 0.000 0.217 142 A C 2.125 179.658 177.584 -0.084 0.000 1.186 142 A CA 2.084 54.058 52.037 -0.106 0.000 0.624 142 A CB -0.823 18.121 19.000 -0.094 0.000 0.822 142 A HN 0.342 nan 8.150 nan 0.000 0.444 143 E N -0.119 120.064 120.200 -0.028 0.000 2.085 143 E HA -0.194 4.156 4.350 -0.000 0.000 0.194 143 E C 1.921 178.452 176.600 -0.114 0.000 0.994 143 E CA 1.288 57.685 56.400 -0.005 0.000 0.801 143 E CB -0.269 29.487 29.700 0.094 0.000 0.743 143 E HN 0.638 nan 8.360 nan 0.000 0.453 144 L N 0.537 121.726 121.223 -0.057 0.000 2.017 144 L HA -0.206 4.134 4.340 -0.000 0.000 0.208 144 L C 2.635 179.382 176.870 -0.204 0.000 1.073 144 L CA 1.152 55.971 54.840 -0.035 0.000 0.745 144 L CB -0.429 41.765 42.059 0.225 0.000 0.894 144 L HN 0.266 nan 8.230 nan 0.000 0.432 145 I N -0.576 119.849 120.570 -0.242 0.000 2.163 145 I HA -0.355 3.815 4.170 -0.000 0.000 0.243 145 I C 2.670 178.675 176.117 -0.187 0.000 1.085 145 I CA 1.559 62.710 61.300 -0.247 0.000 1.347 145 I CB -0.250 37.559 38.000 -0.317 0.000 1.044 145 I HN 0.281 nan 8.210 nan 0.000 0.408 146 M N 0.010 119.499 119.600 -0.185 0.000 2.108 146 M HA -0.268 4.212 4.480 -0.000 0.000 0.261 146 M C 2.468 178.562 176.300 -0.344 0.000 1.066 146 M CA 1.863 57.067 55.300 -0.159 0.000 1.107 146 M CB -0.542 32.031 32.600 -0.046 0.000 1.356 146 M HN 0.314 nan 8.290 nan 0.000 0.406 147 L N 0.470 121.317 121.223 -0.626 0.000 1.990 147 L HA -0.258 4.082 4.340 -0.000 0.000 0.213 147 L C 2.748 178.901 176.870 -1.196 0.000 1.072 147 L CA 2.288 56.446 54.840 -1.137 0.000 0.755 147 L CB -0.610 40.588 42.059 -1.435 0.000 0.889 147 L HN 0.476 nan 8.230 nan 0.000 0.432 148 T N -2.365 111.513 114.554 -1.127 0.000 2.759 148 T HA -0.187 4.163 4.350 -0.000 0.000 0.269 148 T C 1.814 175.549 174.700 -1.608 0.000 1.042 148 T CA 1.060 62.321 62.100 -1.399 0.000 1.140 148 T CB -0.750 67.496 68.868 -1.037 0.000 0.864 148 T HN 0.459 nan 8.240 nan 0.000 0.455 149 A N 1.810 124.095 122.820 -0.891 0.000 1.930 149 A HA 0.011 4.331 4.320 -0.000 0.000 0.217 149 A C 2.488 179.835 177.584 -0.395 0.000 1.175 149 A CA 1.593 53.299 52.037 -0.551 0.000 0.627 149 A CB -0.763 18.173 19.000 -0.106 0.000 0.815 149 A HN 0.522 nan 8.150 nan 0.000 0.443 150 R N -1.564 118.712 120.500 -0.373 0.000 2.096 150 R HA -0.174 4.166 4.340 -0.000 0.000 0.235 150 R C 1.893 178.125 176.300 -0.113 0.000 1.127 150 R CA 1.574 57.566 56.100 -0.180 0.000 0.968 150 R CB -0.255 29.983 30.300 -0.104 0.000 0.861 150 R HN 0.680 nan 8.270 nan 0.000 0.440 151 W N 0.184 121.186 121.300 -0.497 0.000 2.354 151 W HA -0.156 4.504 4.660 -0.000 0.000 0.315 151 W C 1.958 178.375 176.519 -0.171 0.000 1.206 151 W CA 0.587 57.663 57.345 -0.448 0.000 1.290 151 W CB -1.394 27.585 29.460 -0.802 0.000 1.152 151 W HN 0.240 nan 8.180 nan 0.000 0.489 152 W N -0.022 121.272 121.300 -0.009 0.000 2.338 152 W HA -0.220 4.440 4.660 -0.000 0.000 0.304 152 W C 2.577 179.066 176.519 -0.051 0.000 1.212 152 W CA 0.623 57.903 57.345 -0.107 0.000 1.264 152 W CB -0.859 28.470 29.460 -0.218 0.000 1.142 152 W HN -0.216 nan 8.180 nan 0.000 0.512 153 R N 1.179 121.784 120.500 0.176 0.000 2.070 153 R HA -0.165 4.175 4.340 -0.000 0.000 0.233 153 R C 2.316 178.675 176.300 0.098 0.000 1.137 153 R CA 1.866 58.033 56.100 0.112 0.000 0.945 153 R CB -0.874 29.465 30.300 0.065 0.000 0.845 153 R HN 0.157 nan 8.270 nan 0.000 0.430 154 A N 0.930 123.805 122.820 0.093 0.000 1.978 154 A HA -0.112 4.208 4.320 -0.000 0.000 0.220 154 A C 1.892 179.531 177.584 0.092 0.000 1.170 154 A CA 1.064 53.153 52.037 0.087 0.000 0.636 154 A CB -0.194 18.861 19.000 0.092 0.000 0.810 154 A HN 0.272 nan 8.150 nan 0.000 0.448 155 L N -1.354 119.920 121.223 0.086 0.000 2.607 155 L HA 0.210 4.550 4.340 -0.000 0.000 0.228 155 L C 1.365 178.240 176.870 0.008 0.000 1.123 155 L CA 1.227 56.082 54.840 0.026 0.000 0.890 155 L CB -1.350 40.677 42.059 -0.053 0.000 1.103 155 L HN 0.638 nan 8.230 nan 0.000 0.468 156 G N 2.244 111.079 108.800 0.059 0.000 2.385 156 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.294 156 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.294 156 G C 0.565 175.474 174.900 0.016 0.000 1.070 156 G CA 0.608 45.737 45.100 0.049 0.000 1.172 156 G HN 0.583 nan 8.290 nan 0.000 0.516 157 I N -3.794 116.803 120.570 0.045 0.000 4.051 157 I HA 0.238 4.408 4.170 -0.000 0.000 0.333 157 I C 1.559 177.689 176.117 0.022 0.000 1.399 157 I CA 0.348 61.658 61.300 0.017 0.000 1.087 157 I CB -0.117 37.797 38.000 -0.144 0.000 1.625 157 I HN -0.008 nan 8.210 nan 0.000 0.617 158 S N 1.956 117.703 115.700 0.078 0.000 2.368 158 S HA -0.187 4.283 4.470 -0.000 0.000 0.226 158 S C 1.681 176.287 174.600 0.011 0.000 1.044 158 S CA 2.185 60.428 58.200 0.072 0.000 1.062 158 S CB -0.337 62.928 63.200 0.109 0.000 0.931 158 S HN 0.572 nan 8.310 nan 0.000 0.440 159 E N 0.926 121.131 120.200 0.009 0.000 2.267 159 E HA -0.138 4.212 4.350 -0.000 0.000 0.197 159 E C 1.112 177.517 176.600 -0.324 0.000 0.998 159 E CA 0.933 57.253 56.400 -0.132 0.000 0.830 159 E CB -0.370 29.230 29.700 -0.168 0.000 0.751 159 E HN 0.717 nan 8.360 nan 0.000 0.491 160 H N -0.649 118.361 119.070 -0.101 0.000 2.520 160 H HA 0.259 4.814 4.556 -0.000 0.000 0.284 160 H C -0.158 175.069 175.328 -0.168 0.000 1.037 160 H CA 0.009 55.983 56.048 -0.123 0.000 1.168 160 H CB 0.981 30.659 29.762 -0.140 0.000 1.497 160 H HN -0.148 nan 8.280 nan 0.000 0.547 161 V N 2.042 121.884 119.914 -0.120 0.000 2.623 161 V HA 0.221 4.341 4.120 -0.000 0.000 0.304 161 V C 0.044 176.214 176.094 0.127 0.000 1.054 161 V CA -0.828 61.387 62.300 -0.142 0.000 0.882 161 V CB 2.022 33.448 31.823 -0.661 0.000 1.002 161 V HN 0.269 nan 8.190 nan 0.000 0.424 162 T N 2.529 117.209 114.554 0.210 0.000 2.885 162 T HA 0.786 5.136 4.350 -0.000 0.000 0.285 162 T C -0.800 174.005 174.700 0.175 0.000 1.019 162 T CA -0.692 61.545 62.100 0.228 0.000 1.010 162 T CB 2.118 71.034 68.868 0.081 0.000 1.022 162 T HN 0.441 nan 8.240 nan 0.000 0.466 163 L N 1.415 122.570 121.223 -0.115 0.000 2.289 163 L HA 0.560 4.900 4.340 -0.000 0.000 0.285 163 L C -0.414 176.321 176.870 -0.225 0.000 1.049 163 L CA -0.170 54.326 54.840 -0.574 0.000 0.804 163 L CB 0.814 42.223 42.059 -1.083 0.000 1.195 163 L HN 0.771 nan 8.230 nan 0.000 0.428 164 E N 5.856 125.948 120.200 -0.181 0.000 2.185 164 E HA 0.454 4.804 4.350 -0.000 0.000 0.261 164 E C -1.112 175.505 176.600 0.029 0.000 0.879 164 E CA -0.498 55.885 56.400 -0.029 0.000 0.756 164 E CB 1.665 31.360 29.700 -0.008 0.000 1.152 164 E HN 0.589 nan 8.360 nan 0.000 0.416 165 L N 2.353 123.643 121.223 0.112 0.000 2.347 165 L HA 0.659 4.999 4.340 -0.000 0.000 0.268 165 L C -0.024 176.964 176.870 0.196 0.000 1.019 165 L CA -1.052 53.910 54.840 0.204 0.000 0.806 165 L CB 1.060 43.288 42.059 0.283 0.000 1.339 165 L HN 0.482 nan 8.230 nan 0.000 0.463 166 N N -0.966 117.807 118.700 0.122 0.000 5.240 166 N HA 0.082 4.822 4.740 -0.000 0.000 0.179 166 N C -1.807 173.360 175.510 -0.573 0.000 1.071 166 N CA -0.277 52.607 53.050 -0.276 0.000 0.951 166 N CB 1.170 39.576 38.487 -0.135 0.000 1.566 166 N HN 0.580 nan 8.380 nan 0.000 0.633 167 S N 1.654 116.822 115.700 -0.887 0.000 2.502 167 S HA 0.623 5.093 4.470 -0.000 0.000 0.304 167 S C 0.569 174.966 174.600 -0.339 0.000 1.097 167 S CA -0.803 57.035 58.200 -0.604 0.000 1.045 167 S CB 0.247 63.010 63.200 -0.728 0.000 1.019 167 S HN 0.528 nan 8.310 nan 0.000 0.481 168 I N 2.524 122.977 120.570 -0.195 0.000 3.856 168 I HA 0.543 4.713 4.170 -0.000 0.000 0.333 168 I C 0.973 177.031 176.117 -0.098 0.000 1.525 168 I CA -0.388 60.825 61.300 -0.145 0.000 1.173 168 I CB -0.817 37.130 38.000 -0.088 0.000 1.175 168 I HN 0.823 nan 8.210 nan 0.000 0.424 169 G N 2.597 111.340 108.800 -0.094 0.000 2.574 169 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.295 169 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.295 169 G C 0.025 174.915 174.900 -0.016 0.000 1.300 169 G CA 0.443 45.516 45.100 -0.044 0.000 0.944 169 G HN 0.896 nan 8.290 nan 0.000 0.551 170 S N -0.779 114.924 115.700 0.005 0.000 2.730 170 S HA 0.676 5.146 4.470 -0.000 0.000 0.284 170 S C 1.705 176.323 174.600 0.029 0.000 1.153 170 S CA -0.208 58.004 58.200 0.020 0.000 0.995 170 S CB 1.397 64.612 63.200 0.025 0.000 1.058 170 S HN 0.814 nan 8.310 nan 0.000 0.552 171 L N 0.805 122.051 121.223 0.038 0.000 1.971 171 L HA -0.146 4.194 4.340 -0.000 0.000 0.215 171 L C 2.609 179.504 176.870 0.042 0.000 1.072 171 L CA 2.136 57.001 54.840 0.041 0.000 0.758 171 L CB -2.328 39.757 42.059 0.043 0.000 0.889 171 L HN 0.722 nan 8.230 nan 0.000 0.433 172 E N 0.485 120.711 120.200 0.043 0.000 2.049 172 E HA -0.201 4.149 4.350 -0.000 0.000 0.198 172 E C 2.307 178.946 176.600 0.065 0.000 1.007 172 E CA 1.589 58.020 56.400 0.051 0.000 0.809 172 E CB -0.623 29.106 29.700 0.049 0.000 0.749 172 E HN 0.477 nan 8.360 nan 0.000 0.450 173 A N 0.953 123.812 122.820 0.064 0.000 1.927 173 A HA -0.284 4.036 4.320 -0.000 0.000 0.220 173 A C 2.107 179.738 177.584 0.078 0.000 1.185 173 A CA 2.054 54.143 52.037 0.086 0.000 0.639 173 A CB -0.483 18.550 19.000 0.056 0.000 0.820 173 A HN 0.125 nan 8.150 nan 0.000 0.451 174 R N -0.980 119.543 120.500 0.038 0.000 2.093 174 R HA 0.064 4.404 4.340 -0.000 0.000 0.224 174 R C 2.565 178.909 176.300 0.073 0.000 1.101 174 R CA 0.926 57.044 56.100 0.030 0.000 0.979 174 R CB -0.431 29.877 30.300 0.013 0.000 0.877 174 R HN 0.518 nan 8.270 nan 0.000 0.441 175 A N 2.066 124.920 122.820 0.057 0.000 1.851 175 A HA -0.221 4.099 4.320 -0.000 0.000 0.216 175 A C 1.587 179.192 177.584 0.036 0.000 1.195 175 A CA 1.851 53.914 52.037 0.044 0.000 0.622 175 A CB -0.751 18.273 19.000 0.040 0.000 0.831 175 A HN 0.316 nan 8.150 nan 0.000 0.444 176 N N -1.733 117.004 118.700 0.061 0.000 2.635 176 N HA -0.089 4.651 4.740 -0.000 0.000 0.191 176 N C -0.070 175.407 175.510 -0.055 0.000 1.155 176 N CA 0.502 53.595 53.050 0.071 0.000 0.927 176 N CB -0.339 38.252 38.487 0.174 0.000 0.976 176 N HN 0.597 nan 8.380 nan 0.000 0.448 177 Y N 2.650 122.768 120.300 -0.303 0.000 2.880 177 Y HA 0.247 4.797 4.550 -0.000 0.000 0.329 177 Y C 0.217 175.913 175.900 -0.340 0.000 1.156 177 Y CA -0.987 56.745 58.100 -0.613 0.000 1.348 177 Y CB -0.460 37.719 38.460 -0.467 0.000 1.280 177 Y HN -0.022 nan 8.280 nan 0.000 0.516 225 L N 2.958 124.217 121.223 0.060 0.000 2.109 225 L HA 0.185 4.525 4.340 -0.000 0.000 0.207 225 L C 2.285 179.186 176.870 0.053 0.000 1.086 225 L CA 3.169 57.849 54.840 -0.267 0.000 0.760 225 L CB -0.758 40.839 42.059 -0.770 0.000 0.910 225 L HN 1.151 nan 8.230 nan 0.000 0.437 226 G N -0.603 108.207 108.800 0.017 0.000 2.606 226 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.223 226 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.223 226 G C 1.193 176.118 174.900 0.041 0.000 1.106 226 G CA 1.139 46.252 45.100 0.020 0.000 0.745 226 G HN 0.518 nan 8.290 nan 0.000 0.597 227 D N -0.916 119.525 120.400 0.069 0.000 2.378 227 D HA 0.005 4.645 4.640 -0.000 0.000 0.227 227 D C 0.936 176.986 176.300 -0.417 0.000 1.012 227 D CA 0.654 54.572 54.000 -0.137 0.000 0.905 227 D CB 0.026 40.724 40.800 -0.171 0.000 0.895 227 D HN 0.592 nan 8.370 nan 0.000 0.532 228 Y N -0.367 119.955 120.300 0.036 0.000 2.432 228 Y HA 0.177 4.727 4.550 -0.000 0.000 0.252 228 Y C 1.170 177.075 175.900 0.008 0.000 1.097 228 Y CA -0.571 57.556 58.100 0.044 0.000 1.250 228 Y CB 0.700 39.219 38.460 0.098 0.000 1.245 228 Y HN -0.213 nan 8.280 nan 0.000 0.522 229 L N 2.918 124.199 121.223 0.096 0.000 2.554 229 L HA -0.074 4.266 4.340 -0.000 0.000 0.293 229 L C 0.334 177.231 176.870 0.046 0.000 1.252 229 L CA 0.847 55.713 54.840 0.044 0.000 0.862 229 L CB 0.110 42.175 42.059 0.010 0.000 1.113 229 L HN 0.367 nan 8.230 nan 0.000 0.510 230 D N 1.858 122.283 120.400 0.043 0.000 2.384 230 D HA -0.031 4.609 4.640 -0.000 0.000 0.244 230 D C 0.636 176.961 176.300 0.042 0.000 1.251 230 D CA -0.474 53.551 54.000 0.042 0.000 0.961 230 D CB 0.916 41.740 40.800 0.040 0.000 1.116 230 D HN 0.438 nan 8.370 nan 0.000 0.484 231 E N 0.024 120.248 120.200 0.040 0.000 2.072 231 E HA -0.176 4.174 4.350 -0.000 0.000 0.191 231 E C 1.704 178.339 176.600 0.059 0.000 0.985 231 E CA 1.352 57.779 56.400 0.044 0.000 0.801 231 E CB -0.076 29.645 29.700 0.035 0.000 0.750 231 E HN 0.508 nan 8.360 nan 0.000 0.452 232 E N -0.271 119.964 120.200 0.059 0.000 2.110 232 E HA -0.137 4.213 4.350 -0.000 0.000 0.193 232 E C 2.191 178.854 176.600 0.104 0.000 0.988 232 E CA 1.159 57.605 56.400 0.076 0.000 0.804 232 E CB -0.098 29.640 29.700 0.063 0.000 0.745 232 E HN 0.117 nan 8.360 nan 0.000 0.458 233 S N 0.933 116.678 115.700 0.075 0.000 2.345 233 S HA -0.168 4.302 4.470 -0.000 0.000 0.220 233 S C 1.971 176.655 174.600 0.140 0.000 1.031 233 S CA 1.509 59.754 58.200 0.075 0.000 0.996 233 S CB -0.183 63.029 63.200 0.020 0.000 0.882 233 S HN 0.321 nan 8.310 nan 0.000 0.445 234 R N 1.628 122.197 120.500 0.116 0.000 2.120 234 R HA -0.000 4.340 4.340 -0.000 0.000 0.234 234 R C 2.073 178.483 176.300 0.184 0.000 1.123 234 R CA 1.611 57.805 56.100 0.157 0.000 0.975 234 R CB -0.455 29.909 30.300 0.107 0.000 0.866 234 R HN 0.410 nan 8.270 nan 0.000 0.446 235 E N 0.585 120.870 120.200 0.142 0.000 2.072 235 E HA -0.262 4.088 4.350 -0.000 0.000 0.191 235 E C 1.821 178.498 176.600 0.130 0.000 0.985 235 E CA 1.372 57.839 56.400 0.111 0.000 0.801 235 E CB -0.103 29.647 29.700 0.084 0.000 0.750 235 E HN 0.621 nan 8.360 nan 0.000 0.452 236 H N -0.895 118.225 119.070 0.084 0.000 2.319 236 H HA -0.173 4.383 4.556 -0.000 0.000 0.299 236 H C 1.868 177.269 175.328 0.122 0.000 1.092 236 H CA 2.086 58.184 56.048 0.084 0.000 1.302 236 H CB -0.210 29.606 29.762 0.090 0.000 1.373 236 H HN 0.179 nan 8.280 nan 0.000 0.497 237 F N 0.877 120.926 119.950 0.165 0.000 2.102 237 F HA -0.100 4.427 4.527 -0.000 0.000 0.298 237 F C 2.507 178.305 175.800 -0.003 0.000 1.105 237 F CA 1.299 59.347 58.000 0.080 0.000 1.239 237 F CB -1.052 37.986 39.000 0.064 0.000 0.991 237 F HN 0.284 nan 8.300 nan 0.000 0.474 238 A N 0.089 122.906 122.820 -0.006 0.000 1.940 238 A HA -0.090 4.230 4.320 -0.000 0.000 0.219 238 A C 2.510 179.994 177.584 -0.167 0.000 1.176 238 A CA 1.707 53.671 52.037 -0.122 0.000 0.631 238 A CB -1.780 17.212 19.000 -0.014 0.000 0.814 238 A HN 0.486 nan 8.150 nan 0.000 0.446 239 G N -0.576 108.148 108.800 -0.127 0.000 2.448 239 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.219 239 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.219 239 G C 1.422 176.198 174.900 -0.208 0.000 1.127 239 G CA 1.184 46.191 45.100 -0.155 0.000 0.766 239 G HN 0.510 nan 8.290 nan 0.000 0.552 240 L N 0.250 121.320 121.223 -0.254 0.000 2.095 240 L HA 0.151 4.491 4.340 -0.000 0.000 0.204 240 L C 2.646 179.269 176.870 -0.411 0.000 1.080 240 L CA 1.273 55.942 54.840 -0.286 0.000 0.759 240 L CB -0.758 41.174 42.059 -0.211 0.000 0.914 240 L HN 0.195 nan 8.230 nan 0.000 0.439 241 C N 0.658 119.627 119.300 -0.553 0.000 2.446 241 C HA -0.119 4.341 4.460 -0.000 0.000 0.277 241 C C 2.737 177.538 174.990 -0.316 0.000 1.275 241 C CA 1.000 59.641 59.018 -0.628 0.000 1.727 241 C CB -0.953 26.434 27.740 -0.588 0.000 2.010 241 C HN 0.668 nan 8.230 nan 0.000 0.486 242 K N 0.583 120.858 120.400 -0.208 0.000 2.097 242 K HA -0.146 4.174 4.320 -0.000 0.000 0.206 242 K C 1.712 178.246 176.600 -0.110 0.000 1.049 242 K CA 1.486 57.706 56.287 -0.112 0.000 0.933 242 K CB -0.493 31.954 32.500 -0.089 0.000 0.717 242 K HN 0.235 nan 8.250 nan 0.000 0.442 243 L N 0.937 122.070 121.223 -0.151 0.000 2.093 243 L HA -0.064 4.276 4.340 -0.000 0.000 0.208 243 L C 2.194 178.989 176.870 -0.125 0.000 1.085 243 L CA 1.107 55.871 54.840 -0.126 0.000 0.755 243 L CB -0.548 41.428 42.059 -0.138 0.000 0.904 243 L HN 0.179 nan 8.230 nan 0.000 0.435 244 L N -0.914 120.192 121.223 -0.195 0.000 2.141 244 L HA -0.145 4.195 4.340 -0.000 0.000 0.209 244 L C 2.420 179.268 176.870 -0.037 0.000 1.094 244 L CA 1.394 56.131 54.840 -0.172 0.000 0.763 244 L CB -0.778 41.050 42.059 -0.385 0.000 0.908 244 L HN 0.321 nan 8.230 nan 0.000 0.437 245 E N -1.006 119.194 120.200 0.000 0.000 2.028 245 E HA -0.142 4.208 4.350 -0.000 0.000 0.191 245 E C 2.038 178.651 176.600 0.020 0.000 0.988 245 E CA 1.331 57.771 56.400 0.066 0.000 0.799 245 E CB -0.118 29.624 29.700 0.069 0.000 0.755 245 E HN 0.313 nan 8.360 nan 0.000 0.447 246 S N 0.134 115.830 115.700 -0.008 0.000 2.520 246 S HA -0.131 4.339 4.470 -0.000 0.000 0.249 246 S C 1.324 175.919 174.600 -0.008 0.000 0.983 246 S CA 0.851 59.044 58.200 -0.012 0.000 0.958 246 S CB 0.025 63.210 63.200 -0.026 0.000 0.750 246 S HN 0.339 nan 8.310 nan 0.000 0.527 247 A N -0.318 122.501 122.820 -0.002 0.000 2.635 247 A HA 0.612 4.932 4.320 -0.000 0.000 0.279 247 A C 1.173 178.771 177.584 0.023 0.000 1.122 247 A CA 0.215 52.255 52.037 0.004 0.000 0.965 247 A CB -0.229 18.767 19.000 -0.007 0.000 1.221 247 A HN 0.774 nan 8.150 nan 0.000 0.566 248 G N 0.388 109.208 108.800 0.034 0.000 2.249 248 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.273 248 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.273 248 G C -0.009 174.938 174.900 0.079 0.000 1.036 248 G CA 0.577 45.708 45.100 0.051 0.000 0.824 248 G HN 0.580 nan 8.290 nan 0.000 0.504 249 I N 1.041 121.668 120.570 0.094 0.000 2.304 249 I HA 0.500 4.670 4.170 -0.000 0.000 0.291 249 I C 0.979 177.214 176.117 0.196 0.000 1.018 249 I CA -0.454 60.928 61.300 0.137 0.000 1.260 249 I CB 1.423 39.484 38.000 0.102 0.000 1.390 249 I HN 0.302 nan 8.210 nan 0.000 0.475 250 A N 7.619 130.542 122.820 0.173 0.000 2.409 250 A HA 0.506 4.826 4.320 -0.000 0.000 0.262 250 A C -0.742 176.943 177.584 0.169 0.000 1.113 250 A CA 0.069 52.182 52.037 0.125 0.000 0.790 250 A CB 0.035 19.070 19.000 0.059 0.000 1.046 250 A HN 0.697 nan 8.150 nan 0.000 0.496 251 Y N -0.970 119.297 120.300 -0.055 0.000 2.638 251 Y HA 0.840 5.390 4.550 -0.000 0.000 0.339 251 Y C -0.441 175.424 175.900 -0.058 0.000 1.084 251 Y CA -1.272 56.773 58.100 -0.091 0.000 1.068 251 Y CB 1.106 39.490 38.460 -0.127 0.000 1.294 251 Y HN 0.348 nan 8.280 nan 0.000 0.480 252 T N 1.879 116.480 114.554 0.079 0.000 2.965 252 T HA 0.371 4.721 4.350 -0.000 0.000 0.306 252 T C -1.367 173.413 174.700 0.132 0.000 0.991 252 T CA -0.637 61.471 62.100 0.013 0.000 1.001 252 T CB 1.116 69.978 68.868 -0.011 0.000 0.984 252 T HN 0.629 nan 8.240 nan 0.000 0.446 253 V N 4.796 124.813 119.914 0.172 0.000 2.397 253 V HA 0.209 4.329 4.120 -0.000 0.000 0.262 253 V C 0.583 176.748 176.094 0.119 0.000 1.047 253 V CA -0.535 61.901 62.300 0.225 0.000 1.003 253 V CB -0.144 31.857 31.823 0.296 0.000 1.037 253 V HN 0.718 nan 8.190 nan 0.000 0.480 254 N N 4.704 123.456 118.700 0.087 0.000 2.527 254 N HA 0.184 4.924 4.740 -0.000 0.000 0.236 254 N C 0.876 176.396 175.510 0.017 0.000 0.999 254 N CA -0.163 52.912 53.050 0.041 0.000 0.935 254 N CB 1.235 39.737 38.487 0.025 0.000 1.132 254 N HN 0.605 nan 8.380 nan 0.000 0.511 255 Q N 1.849 121.659 119.800 0.016 0.000 2.488 255 Q HA 0.043 4.383 4.340 -0.000 0.000 0.211 255 Q C 0.201 176.189 176.000 -0.019 0.000 0.967 255 Q CA 0.800 56.596 55.803 -0.011 0.000 0.926 255 Q CB 0.331 29.074 28.738 0.008 0.000 0.992 255 Q HN 0.486 nan 8.270 nan 0.000 0.506 256 R N 0.473 120.971 120.500 -0.004 0.000 2.696 256 R HA 0.196 4.536 4.340 -0.000 0.000 0.355 256 R C -0.464 175.829 176.300 -0.012 0.000 1.138 256 R CA -0.251 55.849 56.100 0.000 0.000 1.059 256 R CB 0.534 30.844 30.300 0.015 0.000 1.380 256 R HN 0.037 nan 8.270 nan 0.000 0.578 257 L N 2.854 124.060 121.223 -0.028 0.000 2.278 257 L HA 0.275 4.615 4.340 -0.000 0.000 0.287 257 L C -0.370 176.469 176.870 -0.053 0.000 1.072 257 L CA -0.045 54.773 54.840 -0.038 0.000 0.819 257 L CB 1.102 43.135 42.059 -0.043 0.000 1.176 257 L HN -0.047 nan 8.230 nan 0.000 0.435 258 V N 4.216 124.105 119.914 -0.042 0.000 2.540 258 V HA 0.649 4.769 4.120 -0.000 0.000 0.302 258 V C -0.092 175.978 176.094 -0.040 0.000 1.035 258 V CA -1.115 61.164 62.300 -0.036 0.000 0.873 258 V CB 1.850 33.665 31.823 -0.013 0.000 0.992 258 V HN 0.647 nan 8.190 nan 0.000 0.428 259 R N 3.232 123.708 120.500 -0.039 0.000 2.457 259 R HA 0.486 4.826 4.340 -0.000 0.000 0.284 259 R C 1.365 177.685 176.300 0.035 0.000 1.024 259 R CA -0.170 55.922 56.100 -0.014 0.000 1.025 259 R CB 1.454 31.738 30.300 -0.028 0.000 1.063 259 R HN 1.036 nan 8.270 nan 0.000 0.493 260 G N 1.730 110.547 108.800 0.030 0.000 2.776 260 G HA2 0.002 3.962 3.960 -0.000 0.000 0.209 260 G HA3 0.002 3.962 3.960 -0.000 0.000 0.209 260 G C 0.210 175.091 174.900 -0.032 0.000 1.145 260 G CA 0.339 45.443 45.100 0.006 0.000 0.791 260 G HN 0.174 nan 8.290 nan 0.000 0.530 261 L N 0.176 121.353 121.223 -0.076 0.000 2.334 261 L HA 0.441 4.781 4.340 -0.000 0.000 0.276 261 L C -0.009 176.672 176.870 -0.314 0.000 1.014 261 L CA -0.807 53.847 54.840 -0.310 0.000 0.815 261 L CB 1.525 43.118 42.059 -0.777 0.000 1.268 261 L HN -0.107 nan 8.230 nan 0.000 0.428 262 D N 1.137 121.384 120.400 -0.256 0.000 2.336 262 D HA -0.074 4.566 4.640 -0.000 0.000 0.229 262 D C 1.182 177.446 176.300 -0.059 0.000 1.061 262 D CA 0.711 54.647 54.000 -0.107 0.000 0.875 262 D CB 0.324 41.109 40.800 -0.024 0.000 0.904 262 D HN 0.619 nan 8.370 nan 0.000 0.525 263 Y N -1.661 118.546 120.300 -0.157 0.000 2.468 263 Y HA 0.258 4.808 4.550 -0.000 0.000 0.268 263 Y C -0.175 175.650 175.900 -0.125 0.000 1.177 263 Y CA -1.156 56.848 58.100 -0.160 0.000 1.265 263 Y CB -1.194 37.136 38.460 -0.217 0.000 1.103 263 Y HN -0.257 nan 8.280 nan 0.000 0.522 264 Y N 3.593 124.062 120.300 0.282 0.000 2.301 264 Y HA 0.346 4.896 4.550 -0.000 0.000 0.328 264 Y C 0.482 176.471 175.900 0.149 0.000 1.242 264 Y CA -1.189 57.066 58.100 0.259 0.000 1.323 264 Y CB 0.696 39.235 38.460 0.133 0.000 1.266 264 Y HN 0.296 nan 8.280 nan 0.000 0.527 265 N N 1.510 120.397 118.700 0.313 0.000 2.494 265 N HA 0.485 5.225 4.740 -0.000 0.000 0.270 265 N C -0.443 175.117 175.510 0.084 0.000 1.285 265 N CA -0.749 52.387 53.050 0.143 0.000 0.812 265 N CB 1.985 40.531 38.487 0.098 0.000 1.557 265 N HN 0.585 nan 8.380 nan 0.000 0.487 266 R N -0.771 119.726 120.500 -0.004 0.000 3.835 266 R HA -0.179 4.161 4.340 -0.000 0.000 0.455 266 R C -0.297 175.993 176.300 -0.017 0.000 0.241 266 R CA 1.793 57.857 56.100 -0.059 0.000 1.439 266 R CB -2.662 27.537 30.300 -0.169 0.000 0.987 266 R HN 0.872 nan 8.270 nan 0.000 0.570 267 T N 1.900 116.491 114.554 0.062 0.000 2.867 267 T HA 0.246 4.596 4.350 -0.000 0.000 0.290 267 T C 0.230 175.005 174.700 0.125 0.000 1.025 267 T CA 0.337 62.534 62.100 0.162 0.000 1.146 267 T CB 0.243 69.276 68.868 0.274 0.000 1.024 267 T HN 0.374 nan 8.240 nan 0.000 0.519 268 V N 5.477 125.445 119.914 0.089 0.000 2.817 268 V HA 0.762 4.882 4.120 -0.000 0.000 0.303 268 V C -1.317 174.810 176.094 0.056 0.000 1.151 268 V CA -0.904 61.350 62.300 -0.078 0.000 0.929 268 V CB 1.486 33.192 31.823 -0.196 0.000 1.030 268 V HN 0.849 nan 8.190 nan 0.000 0.427 269 F N 3.253 123.124 119.950 -0.131 0.000 2.711 269 F HA 0.907 5.434 4.527 -0.000 0.000 0.313 269 F C -0.957 174.783 175.800 -0.100 0.000 1.141 269 F CA -0.790 57.140 58.000 -0.116 0.000 0.941 269 F CB 1.730 40.651 39.000 -0.132 0.000 1.349 269 F HN 0.429 nan 8.300 nan 0.000 0.464 270 E N 0.237 120.461 120.200 0.040 0.000 2.413 270 E HA 0.289 4.639 4.350 -0.000 0.000 0.277 270 E C -2.372 174.256 176.600 0.046 0.000 0.958 270 E CA -0.654 55.763 56.400 0.028 0.000 0.779 270 E CB 2.856 32.558 29.700 0.004 0.000 1.278 270 E HN 0.709 nan 8.360 nan 0.000 0.456 271 W N 1.502 122.909 121.300 0.178 0.000 2.362 271 W HA 0.450 5.110 4.660 -0.000 0.000 0.316 271 W C -0.814 175.722 176.519 0.027 0.000 1.024 271 W CA -0.488 56.939 57.345 0.137 0.000 1.270 271 W CB 1.492 31.086 29.460 0.223 0.000 1.273 271 W HN 0.139 nan 8.180 nan 0.000 0.424 272 V N 2.718 122.756 119.914 0.207 0.000 2.630 272 V HA 0.559 4.679 4.120 -0.000 0.000 0.305 272 V C 0.239 176.365 176.094 0.052 0.000 1.046 272 V CA -0.627 61.731 62.300 0.096 0.000 0.934 272 V CB 1.735 33.592 31.823 0.057 0.000 1.003 272 V HN 0.441 nan 8.190 nan 0.000 0.451 273 T N 1.614 116.174 114.554 0.011 0.000 2.910 273 T HA 0.243 4.593 4.350 -0.000 0.000 0.279 273 T C 1.338 176.037 174.700 -0.002 0.000 0.989 273 T CA -0.306 61.785 62.100 -0.015 0.000 0.968 273 T CB 0.687 69.531 68.868 -0.040 0.000 1.135 273 T HN 0.865 nan 8.240 nan 0.000 0.562 274 N N 1.601 120.303 118.700 0.003 0.000 1.766 274 N HA -0.311 4.429 4.740 -0.000 0.000 0.130 274 N C 0.819 176.329 175.510 0.000 0.000 0.518 274 N CA 2.754 55.809 53.050 0.007 0.000 0.812 274 N CB -0.847 37.650 38.487 0.018 0.000 0.765 274 N HN 0.923 nan 8.380 nan 0.000 1.327 275 S N -4.579 111.122 115.700 0.001 0.000 4.714 275 S HA -0.001 4.469 4.470 -0.000 0.000 0.036 275 S C -0.438 174.161 174.600 -0.002 0.000 0.862 275 S CA -0.591 57.608 58.200 -0.000 0.000 0.896 275 S CB -1.309 61.890 63.200 -0.002 0.000 0.316 275 S HN 0.156 nan 8.310 nan 0.000 0.805 276 L N 3.474 124.695 121.223 -0.002 0.000 2.678 276 L HA 0.348 4.688 4.340 -0.000 0.000 0.285 276 L C 2.046 178.911 176.870 -0.007 0.000 1.233 276 L CA 1.941 56.779 54.840 -0.004 0.000 0.920 276 L CB -1.107 40.949 42.059 -0.006 0.000 1.176 276 L HN 0.693 nan 8.230 nan 0.000 0.495 277 G N 3.909 112.703 108.800 -0.009 0.000 3.809 277 G HA2 -0.421 3.539 3.960 -0.000 0.000 0.276 277 G HA3 -0.421 3.539 3.960 -0.000 0.000 0.276 277 G C 0.832 175.723 174.900 -0.014 0.000 0.867 277 G CA 1.013 46.105 45.100 -0.012 0.000 0.724 277 G HN 0.777 nan 8.290 nan 0.000 1.380 278 S N -0.396 115.292 115.700 -0.021 0.000 2.751 278 S HA 0.497 4.967 4.470 -0.000 0.000 0.247 278 S C 0.275 174.858 174.600 -0.030 0.000 1.103 278 S CA 0.075 58.261 58.200 -0.023 0.000 1.090 278 S CB 0.135 63.318 63.200 -0.027 0.000 0.928 278 S HN 0.483 nan 8.310 nan 0.000 0.502 279 Q N -0.558 119.228 119.800 -0.023 0.000 2.155 279 Q HA 0.316 4.656 4.340 -0.000 0.000 0.278 279 Q C 1.099 177.095 176.000 -0.005 0.000 0.851 279 Q CA 0.036 55.826 55.803 -0.022 0.000 1.052 279 Q CB 0.404 29.122 28.738 -0.033 0.000 1.307 279 Q HN 0.409 nan 8.270 nan 0.000 0.403 280 G N -0.082 108.717 108.800 -0.002 0.000 2.623 280 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.214 280 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.214 280 G C 0.653 175.564 174.900 0.018 0.000 1.138 280 G CA 0.675 45.778 45.100 0.004 0.000 0.794 280 G HN 0.278 nan 8.290 nan 0.000 0.535 281 T N 0.155 114.727 114.554 0.030 0.000 2.729 281 T HA 0.335 4.685 4.350 -0.000 0.000 0.296 281 T C 1.366 176.116 174.700 0.083 0.000 0.928 281 T CA -0.438 61.700 62.100 0.064 0.000 1.045 281 T CB 1.387 70.288 68.868 0.055 0.000 0.902 281 T HN -0.129 nan 8.240 nan 0.000 0.500 282 V N 4.121 124.098 119.914 0.104 0.000 2.649 282 V HA 0.176 4.296 4.120 -0.000 0.000 0.248 282 V C 1.291 177.515 176.094 0.216 0.000 1.054 282 V CA 0.402 62.763 62.300 0.102 0.000 1.073 282 V CB 0.087 31.895 31.823 -0.026 0.000 0.699 282 V HN 1.010 nan 8.190 nan 0.000 0.463 283 C N 0.056 119.547 119.300 0.319 0.000 2.811 283 C HA 0.819 5.279 4.460 -0.000 0.000 0.352 283 C C -0.449 174.742 174.990 0.335 0.000 1.098 283 C CA -0.102 59.152 59.018 0.394 0.000 1.295 283 C CB 0.488 28.536 27.740 0.513 0.000 1.758 283 C HN 0.520 nan 8.230 nan 0.000 0.488 284 A N 3.751 126.690 122.820 0.197 0.000 2.556 284 A HA 1.051 5.371 4.320 -0.000 0.000 0.294 284 A C -0.113 177.360 177.584 -0.184 0.000 1.091 284 A CA 0.277 52.264 52.037 -0.084 0.000 0.704 284 A CB 1.578 20.558 19.000 -0.034 0.000 1.300 284 A HN 2.362 nan 8.150 nan 0.000 0.406 285 G N -1.251 107.135 108.800 -0.690 0.000 2.500 285 G HA2 0.887 4.847 3.960 -0.000 0.000 0.299 285 G HA3 0.887 4.847 3.960 -0.000 0.000 0.299 285 G C -0.166 174.360 174.900 -0.624 0.000 1.242 285 G CA 0.339 45.202 45.100 -0.394 0.000 0.859 285 G HN 2.463 nan 8.290 nan 0.000 0.481 286 G N -1.293 107.496 108.800 -0.017 0.000 2.341 286 G HA2 0.538 4.498 3.960 -0.000 0.000 0.293 286 G HA3 0.538 4.498 3.960 -0.000 0.000 0.293 286 G C -1.315 173.918 174.900 0.556 0.000 1.298 286 G CA -0.123 45.038 45.100 0.101 0.000 0.868 286 G HN 0.725 nan 8.290 nan 0.000 0.540 287 R N -0.837 119.952 120.500 0.481 0.000 2.536 287 R HA 0.681 5.021 4.340 -0.000 0.000 0.279 287 R C -0.665 175.944 176.300 0.516 0.000 1.001 287 R CA -0.757 55.564 56.100 0.368 0.000 1.027 287 R CB 0.762 31.156 30.300 0.157 0.000 1.096 287 R HN 1.008 nan 8.270 nan 0.000 0.502 288 Y N 0.989 121.386 120.300 0.162 0.000 2.634 288 Y HA 0.316 4.866 4.550 -0.000 0.000 0.300 288 Y C -0.447 175.475 175.900 0.037 0.000 0.977 288 Y CA -1.128 57.025 58.100 0.089 0.000 1.134 288 Y CB 0.096 38.513 38.460 -0.071 0.000 1.161 288 Y HN 0.574 nan 8.280 nan 0.000 0.623 289 D N 1.617 122.012 120.400 -0.009 0.000 2.315 289 D HA -0.109 4.531 4.640 -0.000 0.000 0.211 289 D C 1.737 178.058 176.300 0.034 0.000 0.977 289 D CA 1.871 55.852 54.000 -0.031 0.000 0.894 289 D CB 0.105 40.894 40.800 -0.019 0.000 0.910 289 D HN 0.829 nan 8.370 nan 0.000 0.490 290 G N -0.290 108.560 108.800 0.084 0.000 3.324 290 G HA2 0.066 4.026 3.960 -0.000 0.000 0.251 290 G HA3 0.066 4.026 3.960 -0.000 0.000 0.251 290 G C 1.276 176.239 174.900 0.104 0.000 1.072 290 G CA -0.248 44.902 45.100 0.085 0.000 0.787 290 G HN 0.136 nan 8.290 nan 0.000 0.537 291 L N 0.641 121.956 121.223 0.154 0.000 2.072 291 L HA 0.094 4.434 4.340 -0.000 0.000 0.205 291 L C 2.682 179.616 176.870 0.106 0.000 1.079 291 L CA 1.531 56.450 54.840 0.131 0.000 0.752 291 L CB -0.313 41.822 42.059 0.126 0.000 0.906 291 L HN 0.032 nan 8.230 nan 0.000 0.436 292 V N -0.000 119.999 119.914 0.143 0.000 2.332 292 V HA -0.318 3.802 4.120 -0.000 0.000 0.248 292 V C 2.576 178.694 176.094 0.040 0.000 1.055 292 V CA 2.054 64.412 62.300 0.096 0.000 1.038 292 V CB -0.666 31.224 31.823 0.112 0.000 0.651 292 V HN 0.636 nan 8.190 nan 0.000 0.450 293 E N 0.112 120.338 120.200 0.044 0.000 2.031 293 E HA -0.317 4.033 4.350 -0.000 0.000 0.193 293 E C 2.329 178.936 176.600 0.011 0.000 0.994 293 E CA 1.690 58.102 56.400 0.020 0.000 0.800 293 E CB -0.262 29.454 29.700 0.028 0.000 0.752 293 E HN 0.684 nan 8.360 nan 0.000 0.447 294 Q N -0.087 119.728 119.800 0.026 0.000 2.181 294 Q HA -0.174 4.166 4.340 -0.000 0.000 0.205 294 Q C 1.456 177.457 176.000 0.002 0.000 0.980 294 Q CA 1.130 56.945 55.803 0.019 0.000 0.862 294 Q CB 0.037 28.797 28.738 0.037 0.000 0.905 294 Q HN 0.292 nan 8.270 nan 0.000 0.429 295 L N -0.245 120.976 121.223 -0.003 0.000 2.627 295 L HA 0.231 4.571 4.340 -0.000 0.000 0.232 295 L C 1.186 178.031 176.870 -0.042 0.000 1.150 295 L CA 1.289 56.113 54.840 -0.027 0.000 0.917 295 L CB 0.298 42.337 42.059 -0.033 0.000 1.104 295 L HN 0.451 nan 8.230 nan 0.000 0.445 296 G N -1.954 106.825 108.800 -0.036 0.000 2.176 296 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.232 296 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.232 296 G C 0.688 175.548 174.900 -0.066 0.000 0.986 296 G CA -0.128 44.941 45.100 -0.051 0.000 0.643 296 G HN 0.649 nan 8.290 nan 0.000 0.522 297 G N -0.690 108.075 108.800 -0.058 0.000 2.557 297 G HA2 0.607 4.567 3.960 -0.000 0.000 0.302 297 G HA3 0.607 4.567 3.960 -0.000 0.000 0.302 297 G C 0.006 174.864 174.900 -0.070 0.000 1.311 297 G CA -0.865 44.189 45.100 -0.077 0.000 1.030 297 G HN 0.338 nan 8.290 nan 0.000 0.509 298 R N -0.007 120.440 120.500 -0.088 0.000 2.340 298 R HA 0.408 4.747 4.340 -0.000 0.000 0.300 298 R C 0.412 176.731 176.300 0.031 0.000 1.069 298 R CA -0.318 55.748 56.100 -0.057 0.000 0.984 298 R CB 1.039 31.266 30.300 -0.121 0.000 1.003 298 R HN 0.580 nan 8.270 nan 0.000 0.459 299 A N 2.332 125.176 122.820 0.040 0.000 2.584 299 A HA 0.119 4.439 4.320 -0.000 0.000 0.239 299 A C 0.403 178.035 177.584 0.080 0.000 1.043 299 A CA 0.836 52.907 52.037 0.057 0.000 0.756 299 A CB 0.146 19.174 19.000 0.048 0.000 0.963 299 A HN 0.657 nan 8.150 nan 0.000 0.511 300 T N 3.919 118.522 114.554 0.082 0.000 3.097 300 T HA 0.586 4.936 4.350 -0.000 0.000 0.332 300 T C -3.162 171.579 174.700 0.069 0.000 1.269 300 T CA -1.102 61.053 62.100 0.091 0.000 1.076 300 T CB 1.369 70.314 68.868 0.127 0.000 1.209 300 T HN 0.408 nan 8.240 nan 0.000 0.474 301 P HA 0.591 nan 4.420 nan 0.000 0.272 301 P C -1.491 175.738 177.300 -0.118 0.000 1.223 301 P CA -0.368 62.711 63.100 -0.035 0.000 0.784 301 P CB 0.630 32.323 31.700 -0.013 0.000 0.923 302 A N 1.214 123.822 122.820 -0.354 0.000 2.547 302 A HA 0.675 4.995 4.320 -0.000 0.000 0.297 302 A C -1.328 175.739 177.584 -0.861 0.000 1.056 302 A CA -0.536 51.045 52.037 -0.761 0.000 0.688 302 A CB 1.280 19.581 19.000 -1.164 0.000 1.282 302 A HN 0.285 nan 8.150 nan 0.000 0.400 303 V N -0.290 119.281 119.914 -0.572 0.000 2.888 303 V HA 1.011 5.131 4.120 -0.000 0.000 0.309 303 V C 0.329 176.461 176.094 0.064 0.000 1.114 303 V CA 0.046 62.276 62.300 -0.116 0.000 0.940 303 V CB 1.279 33.138 31.823 0.061 0.000 1.021 303 V HN 1.981 nan 8.190 nan 0.000 0.426 304 G N 1.651 110.672 108.800 0.368 0.000 2.634 304 G HA2 0.933 4.893 3.960 -0.000 0.000 0.309 304 G HA3 0.933 4.893 3.960 -0.000 0.000 0.309 304 G C -1.638 173.500 174.900 0.396 0.000 1.299 304 G CA -0.055 45.208 45.100 0.270 0.000 0.798 304 G HN 1.827 nan 8.290 nan 0.000 0.490 305 F N -2.687 117.440 119.950 0.296 0.000 2.878 305 F HA 0.861 5.388 4.527 -0.000 0.000 0.322 305 F C -0.926 175.020 175.800 0.243 0.000 1.154 305 F CA -1.288 56.856 58.000 0.241 0.000 0.896 305 F CB 1.009 40.186 39.000 0.295 0.000 1.313 305 F HN 1.450 nan 8.300 nan 0.000 0.451 306 A N 2.601 125.804 122.820 0.640 0.000 2.486 306 A HA 0.786 5.106 4.320 -0.000 0.000 0.300 306 A C -1.586 176.327 177.584 0.549 0.000 1.048 306 A CA -0.613 51.738 52.037 0.523 0.000 0.696 306 A CB 1.875 21.124 19.000 0.416 0.000 1.278 306 A HN 1.245 nan 8.150 nan 0.000 0.405 307 M N 2.522 122.421 119.600 0.498 0.000 2.364 307 M HA 0.623 5.103 4.480 -0.000 0.000 0.334 307 M C 0.260 176.746 176.300 0.310 0.000 1.107 307 M CA -0.340 55.191 55.300 0.385 0.000 0.988 307 M CB 1.535 34.347 32.600 0.354 0.000 1.673 307 M HN 0.841 nan 8.290 nan 0.000 0.441 308 G N 4.936 113.902 108.800 0.276 0.000 2.444 308 G HA2 0.344 4.304 3.960 -0.000 0.000 0.303 308 G HA3 0.344 4.304 3.960 -0.000 0.000 0.303 308 G C 0.560 175.586 174.900 0.210 0.000 1.032 308 G CA -0.507 44.774 45.100 0.302 0.000 1.137 308 G HN 0.954 nan 8.290 nan 0.000 0.430 309 L N 1.810 123.172 121.223 0.232 0.000 2.042 309 L HA -0.164 4.176 4.340 -0.000 0.000 0.210 309 L C 2.760 179.589 176.870 -0.067 0.000 1.076 309 L CA 1.310 56.182 54.840 0.054 0.000 0.749 309 L CB -0.163 42.005 42.059 0.181 0.000 0.893 309 L HN 0.437 nan 8.230 nan 0.000 0.432 310 E N -0.055 120.302 120.200 0.262 0.000 2.085 310 E HA -0.214 4.136 4.350 -0.000 0.000 0.194 310 E C 2.266 178.909 176.600 0.071 0.000 0.994 310 E CA 1.191 57.736 56.400 0.241 0.000 0.801 310 E CB -0.119 29.774 29.700 0.323 0.000 0.743 310 E HN 0.361 nan 8.360 nan 0.000 0.453 311 R N -0.088 120.469 120.500 0.096 0.000 2.081 311 R HA -0.102 4.238 4.340 -0.000 0.000 0.235 311 R C 2.393 178.641 176.300 -0.088 0.000 1.131 311 R CA 1.042 57.162 56.100 0.033 0.000 0.960 311 R CB -0.524 29.809 30.300 0.055 0.000 0.856 311 R HN 0.144 nan 8.270 nan 0.000 0.436 312 L N 0.955 122.094 121.223 -0.141 0.000 1.989 312 L HA -0.175 4.165 4.340 -0.000 0.000 0.211 312 L C 2.174 178.839 176.870 -0.342 0.000 1.071 312 L CA 1.591 56.291 54.840 -0.233 0.000 0.749 312 L CB -0.417 41.500 42.059 -0.236 0.000 0.890 312 L HN -0.095 nan 8.230 nan 0.000 0.431 313 V N -0.546 119.080 119.914 -0.480 0.000 2.231 313 V HA -0.351 3.769 4.120 -0.000 0.000 0.248 313 V C 2.558 178.452 176.094 -0.334 0.000 1.054 313 V CA 1.883 63.839 62.300 -0.573 0.000 1.015 313 V CB -0.825 30.456 31.823 -0.903 0.000 0.638 313 V HN 0.380 nan 8.190 nan 0.000 0.444 314 L N -0.956 120.151 121.223 -0.195 0.000 1.991 314 L HA -0.235 4.105 4.340 -0.000 0.000 0.221 314 L C 2.335 179.110 176.870 -0.157 0.000 1.079 314 L CA 2.042 56.819 54.840 -0.104 0.000 0.778 314 L CB -1.430 40.617 42.059 -0.019 0.000 0.893 314 L HN 0.349 nan 8.230 nan 0.000 0.437 315 L N -1.029 120.082 121.223 -0.186 0.000 1.989 315 L HA -0.202 4.138 4.340 -0.000 0.000 0.211 315 L C 2.492 179.186 176.870 -0.294 0.000 1.071 315 L CA 1.601 56.307 54.840 -0.223 0.000 0.749 315 L CB -0.665 41.253 42.059 -0.236 0.000 0.890 315 L HN 0.065 nan 8.230 nan 0.000 0.431 316 V N -0.470 119.232 119.914 -0.353 0.000 2.324 316 V HA -0.367 3.753 4.120 -0.000 0.000 0.250 316 V C 2.583 178.424 176.094 -0.421 0.000 1.060 316 V CA 2.177 64.199 62.300 -0.463 0.000 1.042 316 V CB -0.698 30.735 31.823 -0.650 0.000 0.650 316 V HN 0.588 nan 8.190 nan 0.000 0.450 317 Q N -0.858 118.751 119.800 -0.319 0.000 2.167 317 Q HA -0.104 4.236 4.340 -0.000 0.000 0.202 317 Q C 2.358 178.277 176.000 -0.135 0.000 0.970 317 Q CA 1.506 57.200 55.803 -0.183 0.000 0.855 317 Q CB -0.239 28.433 28.738 -0.110 0.000 0.911 317 Q HN 0.711 nan 8.270 nan 0.000 0.438 318 A N 0.003 122.724 122.820 -0.164 0.000 1.898 318 A HA -0.063 4.257 4.320 -0.000 0.000 0.214 318 A C 2.183 179.652 177.584 -0.191 0.000 1.183 318 A CA 0.811 52.762 52.037 -0.143 0.000 0.622 318 A CB -0.336 18.582 19.000 -0.137 0.000 0.824 318 A HN 0.187 nan 8.150 nan 0.000 0.444 319 V N 0.824 120.556 119.914 -0.304 0.000 2.667 319 V HA -0.126 3.994 4.120 -0.000 0.000 0.252 319 V C 0.447 176.426 176.094 -0.193 0.000 1.065 319 V CA 1.532 63.600 62.300 -0.387 0.000 1.083 319 V CB -0.914 30.542 31.823 -0.612 0.000 0.692 319 V HN 0.607 nan 8.190 nan 0.000 0.468 320 N N -0.040 118.574 118.700 -0.143 0.000 2.813 320 N HA 0.226 4.966 4.740 -0.000 0.000 0.282 320 N C -2.397 173.126 175.510 0.022 0.000 1.748 320 N CA -1.150 51.885 53.050 -0.026 0.000 0.860 320 N CB 1.358 39.867 38.487 0.036 0.000 1.204 320 N HN 0.195 nan 8.380 nan 0.000 0.490 321 P HA -0.174 nan 4.420 nan 0.000 0.225 321 P C 0.595 177.922 177.300 0.046 0.000 1.141 321 P CA 1.323 64.433 63.100 0.015 0.000 0.774 321 P CB 0.292 31.994 31.700 0.003 0.000 0.760 322 E N -2.935 117.309 120.200 0.072 0.000 2.562 322 E HA 0.131 4.481 4.350 -0.000 0.000 0.214 322 E C 0.268 176.929 176.600 0.102 0.000 0.979 322 E CA -0.629 55.813 56.400 0.069 0.000 1.002 322 E CB -0.295 29.429 29.700 0.040 0.000 1.048 322 E HN 0.199 nan 8.360 nan 0.000 0.488 323 F N 2.383 122.316 119.950 -0.028 0.000 2.568 323 F HA -0.170 4.357 4.527 -0.000 0.000 0.394 323 F C 0.776 176.565 175.800 -0.019 0.000 1.032 323 F CA 1.026 59.007 58.000 -0.031 0.000 1.242 323 F CB 0.324 39.293 39.000 -0.052 0.000 0.966 323 F HN -0.280 nan 8.300 nan 0.000 0.560 324 K N 3.217 123.447 120.400 -0.282 0.000 2.261 324 K HA 0.902 5.222 4.320 -0.000 0.000 0.242 324 K C -1.481 175.002 176.600 -0.196 0.000 1.083 324 K CA -0.650 55.546 56.287 -0.152 0.000 0.880 324 K CB 1.989 34.427 32.500 -0.103 0.000 1.353 324 K HN 0.564 nan 8.250 nan 0.000 0.486 325 A N 0.941 123.712 122.820 -0.082 0.000 2.422 325 A HA 0.514 4.834 4.320 -0.000 0.000 0.302 325 A C -1.581 175.984 177.584 -0.033 0.000 1.041 325 A CA -0.834 51.170 52.037 -0.054 0.000 0.708 325 A CB 0.557 19.561 19.000 0.007 0.000 1.257 325 A HN 0.720 nan 8.150 nan 0.000 0.414 326 D N 3.010 123.390 120.400 -0.033 0.000 2.455 326 D HA 0.392 5.032 4.640 -0.000 0.000 0.241 326 D C -2.210 174.096 176.300 0.010 0.000 1.138 326 D CA 0.071 54.061 54.000 -0.015 0.000 0.877 326 D CB -0.104 40.687 40.800 -0.015 0.000 1.187 326 D HN 0.288 nan 8.370 nan 0.000 0.451 327 P HA -0.088 nan 4.420 nan 0.000 0.267 327 P C 0.969 178.297 177.300 0.047 0.000 1.195 327 P CA -0.182 62.948 63.100 0.050 0.000 0.773 327 P CB 0.510 32.246 31.700 0.059 0.000 0.837 328 V N 0.168 120.118 119.914 0.061 0.000 2.970 328 V HA -0.013 4.107 4.120 -0.000 0.000 0.260 328 V C 0.668 176.761 176.094 -0.003 0.000 1.100 328 V CA 0.916 63.226 62.300 0.017 0.000 1.122 328 V CB -0.557 31.261 31.823 -0.007 0.000 0.721 328 V HN 0.203 nan 8.190 nan 0.000 0.483 329 V N 1.069 121.015 119.914 0.053 0.000 2.577 329 V HA 0.450 4.570 4.120 -0.000 0.000 0.303 329 V C -0.031 176.121 176.094 0.097 0.000 1.042 329 V CA -0.432 61.909 62.300 0.068 0.000 0.872 329 V CB 1.774 33.665 31.823 0.113 0.000 0.998 329 V HN 0.200 nan 8.190 nan 0.000 0.423 330 D N 3.149 123.597 120.400 0.080 0.000 2.369 330 D HA 0.272 4.912 4.640 -0.000 0.000 0.231 330 D C 0.368 176.731 176.300 0.106 0.000 0.967 330 D CA 1.133 55.180 54.000 0.079 0.000 0.905 330 D CB 1.021 41.853 40.800 0.054 0.000 1.044 330 D HN 0.403 nan 8.370 nan 0.000 0.487 331 I N 0.874 121.513 120.570 0.115 0.000 2.410 331 I HA 0.159 4.329 4.170 -0.000 0.000 0.286 331 I C -1.212 175.024 176.117 0.198 0.000 1.009 331 I CA -0.956 60.425 61.300 0.135 0.000 1.111 331 I CB 1.924 39.974 38.000 0.083 0.000 1.262 331 I HN -0.169 nan 8.210 nan 0.000 0.443 332 Y N 7.140 127.496 120.300 0.094 0.000 2.335 332 Y HA 0.426 4.976 4.550 -0.000 0.000 0.339 332 Y C -0.580 175.372 175.900 0.087 0.000 0.987 332 Y CA -0.803 57.361 58.100 0.107 0.000 1.140 332 Y CB 1.352 39.919 38.460 0.179 0.000 1.173 332 Y HN 0.443 nan 8.280 nan 0.000 0.486 333 L N 7.882 128.887 121.223 -0.363 0.000 2.356 333 L HA 0.331 4.671 4.340 -0.000 0.000 0.282 333 L C -0.771 175.865 176.870 -0.390 0.000 1.132 333 L CA -0.409 54.260 54.840 -0.285 0.000 0.923 333 L CB -0.133 41.798 42.059 -0.212 0.000 1.278 333 L HN 0.459 nan 8.230 nan 0.000 0.436 334 V N 3.990 123.787 119.914 -0.194 0.000 2.924 334 V HA 0.641 4.761 4.120 -0.000 0.000 0.305 334 V C 0.441 176.516 176.094 -0.032 0.000 1.073 334 V CA -0.081 62.149 62.300 -0.116 0.000 1.098 334 V CB 1.286 33.110 31.823 0.002 0.000 1.000 334 V HN 0.856 nan 8.190 nan 0.000 0.484 335 A N 3.134 125.936 122.820 -0.030 0.000 2.573 335 A HA 0.734 5.054 4.320 -0.000 0.000 0.299 335 A C -0.608 176.910 177.584 -0.110 0.000 1.060 335 A CA -0.081 51.951 52.037 -0.009 0.000 0.736 335 A CB 1.680 20.651 19.000 -0.047 0.000 1.280 335 A HN 1.348 nan 8.150 nan 0.000 0.401 336 S N 0.701 116.339 115.700 -0.104 0.000 2.543 336 S HA 0.972 5.442 4.470 -0.000 0.000 0.271 336 S C -0.142 174.394 174.600 -0.106 0.000 1.148 336 S CA 0.151 58.214 58.200 -0.229 0.000 0.914 336 S CB 1.142 63.962 63.200 -0.633 0.000 1.096 336 S HN 2.876 nan 8.310 nan 0.000 0.471 337 G N 0.664 109.409 108.800 -0.092 0.000 2.346 337 G HA2 0.538 4.498 3.960 -0.000 0.000 0.294 337 G HA3 0.538 4.498 3.960 -0.000 0.000 0.294 337 G C -0.526 174.354 174.900 -0.034 0.000 1.294 337 G CA -0.366 44.707 45.100 -0.045 0.000 0.962 337 G HN 1.806 nan 8.290 nan 0.000 0.508 338 A N -0.103 122.706 122.820 -0.019 0.000 2.438 338 A HA 0.531 4.851 4.320 -0.000 0.000 0.280 338 A C 0.851 178.429 177.584 -0.010 0.000 1.160 338 A CA 1.284 53.312 52.037 -0.015 0.000 0.821 338 A CB -0.630 18.365 19.000 -0.009 0.000 1.101 338 A HN 1.696 nan 8.150 nan 0.000 0.515 339 D N 1.318 121.711 120.400 -0.012 0.000 2.911 339 D HA -0.193 4.447 4.640 -0.000 0.000 0.227 339 D C 1.245 177.542 176.300 -0.004 0.000 1.164 339 D CA 1.969 55.965 54.000 -0.007 0.000 0.782 339 D CB -1.789 39.008 40.800 -0.005 0.000 1.094 339 D HN 0.863 nan 8.370 nan 0.000 0.425 340 T N -4.032 110.518 114.554 -0.007 0.000 3.051 340 T HA -0.142 4.208 4.350 -0.000 0.000 0.269 340 T C 1.623 176.321 174.700 -0.002 0.000 1.127 340 T CA 0.831 62.928 62.100 -0.004 0.000 1.107 340 T CB 0.176 69.040 68.868 -0.008 0.000 0.898 340 T HN 0.270 nan 8.240 nan 0.000 0.517 341 Q N 1.642 121.443 119.800 0.001 0.000 1.857 341 Q HA -0.114 4.226 4.340 -0.000 0.000 0.237 341 Q C 2.671 178.684 176.000 0.020 0.000 1.004 341 Q CA 1.998 57.811 55.803 0.017 0.000 0.881 341 Q CB -0.806 27.941 28.738 0.015 0.000 0.946 341 Q HN 0.552 nan 8.270 nan 0.000 0.421 342 S N 0.664 116.371 115.700 0.013 0.000 2.462 342 S HA -0.152 4.318 4.470 -0.000 0.000 0.243 342 S C 1.725 176.330 174.600 0.009 0.000 1.003 342 S CA 0.885 59.092 58.200 0.012 0.000 0.970 342 S CB -0.186 63.017 63.200 0.005 0.000 0.762 342 S HN 0.464 nan 8.310 nan 0.000 0.510 343 A N 1.258 124.081 122.820 0.006 0.000 1.887 343 A HA 0.424 4.744 4.320 -0.000 0.000 0.212 343 A C 2.335 179.918 177.584 -0.002 0.000 1.198 343 A CA 1.047 53.086 52.037 0.002 0.000 0.628 343 A CB -1.032 17.969 19.000 0.002 0.000 0.847 343 A HN 0.483 nan 8.150 nan 0.000 0.449 344 A N -0.833 121.983 122.820 -0.006 0.000 1.933 344 A HA -0.091 4.229 4.320 -0.000 0.000 0.218 344 A C 2.190 179.760 177.584 -0.024 0.000 1.175 344 A CA 2.000 54.023 52.037 -0.023 0.000 0.628 344 A CB -0.497 18.478 19.000 -0.041 0.000 0.814 344 A HN 0.511 nan 8.150 nan 0.000 0.444 345 M N -0.208 119.392 119.600 0.001 0.000 2.067 345 M HA -0.091 4.389 4.480 -0.000 0.000 0.260 345 M C 2.334 178.637 176.300 0.004 0.000 1.069 345 M CA 1.867 57.176 55.300 0.015 0.000 1.117 345 M CB -0.361 32.269 32.600 0.049 0.000 1.334 345 M HN 0.405 nan 8.290 nan 0.000 0.407 346 A N -0.282 122.541 122.820 0.005 0.000 1.908 346 A HA -0.186 4.134 4.320 -0.000 0.000 0.218 346 A C 2.066 179.649 177.584 -0.002 0.000 1.181 346 A CA 1.833 53.872 52.037 0.003 0.000 0.627 346 A CB -1.227 17.775 19.000 0.003 0.000 0.818 346 A HN 0.569 nan 8.150 nan 0.000 0.445 347 L N -0.332 120.887 121.223 -0.006 0.000 2.127 347 L HA -0.089 4.251 4.340 -0.000 0.000 0.211 347 L C 2.539 179.402 176.870 -0.011 0.000 1.089 347 L CA 2.147 56.982 54.840 -0.008 0.000 0.757 347 L CB -0.723 41.330 42.059 -0.011 0.000 0.899 347 L HN 0.346 nan 8.230 nan 0.000 0.434 348 A N -1.108 121.702 122.820 -0.017 0.000 1.897 348 A HA -0.097 4.223 4.320 -0.000 0.000 0.215 348 A C 2.119 179.697 177.584 -0.010 0.000 1.181 348 A CA 1.208 53.233 52.037 -0.021 0.000 0.620 348 A CB -0.460 18.516 19.000 -0.039 0.000 0.821 348 A HN 0.482 nan 8.150 nan 0.000 0.443 349 E N -0.119 120.079 120.200 -0.004 0.000 2.085 349 E HA -0.218 4.132 4.350 -0.000 0.000 0.194 349 E C 2.173 178.774 176.600 0.001 0.000 0.994 349 E CA 1.289 57.690 56.400 0.000 0.000 0.801 349 E CB -0.392 29.310 29.700 0.003 0.000 0.743 349 E HN 0.675 nan 8.360 nan 0.000 0.453 350 R N 0.808 121.309 120.500 0.001 0.000 2.070 350 R HA -0.081 4.259 4.340 -0.000 0.000 0.233 350 R C 2.606 178.908 176.300 0.004 0.000 1.137 350 R CA 1.074 57.175 56.100 0.003 0.000 0.945 350 R CB -0.376 29.925 30.300 0.003 0.000 0.845 350 R HN 0.134 nan 8.270 nan 0.000 0.430 351 L N 0.358 121.583 121.223 0.003 0.000 2.187 351 L HA -0.174 4.166 4.340 -0.000 0.000 0.213 351 L C 2.746 179.620 176.870 0.008 0.000 1.100 351 L CA 1.263 56.107 54.840 0.007 0.000 0.765 351 L CB -0.371 41.691 42.059 0.006 0.000 0.904 351 L HN 0.285 nan 8.230 nan 0.000 0.437 352 R N 0.035 120.537 120.500 0.004 0.000 2.070 352 R HA -0.154 4.186 4.340 -0.000 0.000 0.232 352 R C 2.024 178.328 176.300 0.007 0.000 1.138 352 R CA 1.757 57.860 56.100 0.005 0.000 0.936 352 R CB -0.318 29.983 30.300 0.002 0.000 0.839 352 R HN 0.367 nan 8.270 nan 0.000 0.429 353 D N 0.545 120.949 120.400 0.006 0.000 2.106 353 D HA -0.208 4.432 4.640 -0.000 0.000 0.191 353 D C 1.751 178.056 176.300 0.009 0.000 0.997 353 D CA 1.528 55.533 54.000 0.007 0.000 0.834 353 D CB -0.205 40.599 40.800 0.007 0.000 0.956 353 D HN 0.388 nan 8.370 nan 0.000 0.448 354 E N -0.048 120.158 120.200 0.010 0.000 2.106 354 E HA -0.032 4.318 4.350 -0.000 0.000 0.192 354 E C 0.801 177.409 176.600 0.013 0.000 0.984 354 E CA 0.411 56.818 56.400 0.012 0.000 0.806 354 E CB 0.121 29.829 29.700 0.014 0.000 0.750 354 E HN 0.215 nan 8.360 nan 0.000 0.458 355 L N 2.774 124.005 121.223 0.014 0.000 2.589 355 L HA 0.274 4.614 4.340 -0.000 0.000 0.244 355 L C -2.212 174.666 176.870 0.013 0.000 1.159 355 L CA -1.847 53.002 54.840 0.015 0.000 1.074 355 L CB 0.365 42.436 42.059 0.020 0.000 1.391 355 L HN -0.081 nan 8.230 nan 0.000 0.423 356 P HA 0.116 nan 4.420 nan 0.000 0.272 356 P C 0.841 178.147 177.300 0.010 0.000 1.223 356 P CA 0.684 63.790 63.100 0.010 0.000 0.784 356 P CB 1.570 33.276 31.700 0.009 0.000 0.923 357 G N 0.411 109.216 108.800 0.009 0.000 2.284 357 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.247 357 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.247 357 G C 0.177 175.082 174.900 0.009 0.000 1.012 357 G CA 0.276 45.381 45.100 0.008 0.000 0.618 357 G HN 0.776 nan 8.290 nan 0.000 0.521 358 V N -1.531 118.390 119.914 0.012 0.000 2.904 358 V HA 0.773 4.893 4.120 -0.000 0.000 0.305 358 V C 0.168 176.269 176.094 0.012 0.000 1.067 358 V CA -0.813 61.497 62.300 0.015 0.000 1.044 358 V CB 1.514 33.349 31.823 0.021 0.000 1.050 358 V HN 0.291 nan 8.190 nan 0.000 0.475 359 K N 3.991 124.400 120.400 0.016 0.000 2.293 359 K HA 0.644 4.964 4.320 -0.000 0.000 0.267 359 K C -1.106 175.506 176.600 0.020 0.000 1.010 359 K CA -0.373 55.919 56.287 0.009 0.000 0.875 359 K CB 1.806 34.308 32.500 0.003 0.000 1.106 359 K HN 0.754 nan 8.250 nan 0.000 0.450 360 L N 4.845 126.072 121.223 0.008 0.000 2.406 360 L HA 0.463 4.803 4.340 -0.000 0.000 0.270 360 L C -1.221 175.645 176.870 -0.007 0.000 0.982 360 L CA -0.652 54.198 54.840 0.017 0.000 0.843 360 L CB 1.437 43.501 42.059 0.008 0.000 1.225 360 L HN 0.703 nan 8.230 nan 0.000 0.412 361 M N 4.399 124.013 119.600 0.024 0.000 2.180 361 M HA 0.399 4.879 4.480 -0.000 0.000 0.350 361 M C -0.843 175.393 176.300 -0.106 0.000 1.125 361 M CA -0.152 55.143 55.300 -0.008 0.000 1.031 361 M CB 1.440 34.059 32.600 0.032 0.000 1.623 361 M HN 0.514 nan 8.290 nan 0.000 0.451 362 T N 4.400 118.817 114.554 -0.229 0.000 2.780 362 T HA 0.176 4.526 4.350 -0.000 0.000 0.294 362 T C -0.115 174.223 174.700 -0.603 0.000 0.949 362 T CA -0.327 61.516 62.100 -0.429 0.000 1.074 362 T CB 0.168 68.789 68.868 -0.412 0.000 0.910 362 T HN 0.781 nan 8.240 nan 0.000 0.501 363 N N 2.673 120.963 118.700 -0.685 0.000 2.458 363 N HA -0.005 4.735 4.740 -0.000 0.000 0.258 363 N C -0.430 174.889 175.510 -0.319 0.000 1.219 363 N CA 0.397 53.200 53.050 -0.411 0.000 0.902 363 N CB 0.364 38.603 38.487 -0.413 0.000 1.076 363 N HN 0.531 nan 8.380 nan 0.000 0.455 364 H N 1.185 120.283 119.070 0.047 0.000 2.907 364 H HA 0.420 4.976 4.556 -0.000 0.000 0.361 364 H C 0.347 175.698 175.328 0.038 0.000 1.194 364 H CA -0.202 55.860 56.048 0.024 0.000 1.152 364 H CB 1.758 31.539 29.762 0.031 0.000 1.867 364 H HN 0.809 nan 8.280 nan 0.000 0.561 365 G N 0.845 109.743 108.800 0.163 0.000 2.289 365 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.280 365 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.280 365 G C 0.904 175.830 174.900 0.043 0.000 1.089 365 G CA 0.896 46.044 45.100 0.081 0.000 0.939 365 G HN 1.217 nan 8.290 nan 0.000 0.499 366 G N -0.421 108.391 108.800 0.020 0.000 2.578 366 G HA2 0.395 4.355 3.960 -0.000 0.000 0.313 366 G HA3 0.395 4.355 3.960 -0.000 0.000 0.313 366 G C 1.571 176.444 174.900 -0.046 0.000 1.324 366 G CA 1.686 46.768 45.100 -0.030 0.000 0.955 366 G HN 2.934 nan 8.290 nan 0.000 0.541 367 G N -1.991 106.763 108.800 -0.078 0.000 2.674 367 G HA2 0.417 4.377 3.960 -0.000 0.000 0.686 367 G HA3 0.417 4.377 3.960 -0.000 0.000 0.686 367 G C -0.451 174.345 174.900 -0.173 0.000 1.195 367 G CA 0.524 45.574 45.100 -0.085 0.000 0.776 367 G HN 2.355 nan 8.290 nan 0.000 0.654 368 N N -0.266 118.343 118.700 -0.152 0.000 2.445 368 N HA 0.607 5.347 4.740 -0.000 0.000 0.264 368 N C 1.095 176.482 175.510 -0.205 0.000 1.227 368 N CA -0.668 52.249 53.050 -0.222 0.000 0.963 368 N CB 0.408 38.837 38.487 -0.097 0.000 1.188 368 N HN 0.305 nan 8.380 nan 0.000 0.491 369 F N -0.765 119.099 119.950 -0.144 0.000 2.225 369 F HA -0.152 4.375 4.527 -0.000 0.000 0.302 369 F C 2.266 177.922 175.800 -0.241 0.000 1.068 369 F CA 1.194 58.999 58.000 -0.324 0.000 1.327 369 F CB -0.450 38.408 39.000 -0.237 0.000 1.043 369 F HN 0.656 nan 8.300 nan 0.000 0.506 370 K N 0.845 121.322 120.400 0.129 0.000 2.001 370 K HA -0.188 4.132 4.320 -0.000 0.000 0.208 370 K C 2.072 178.727 176.600 0.093 0.000 1.048 370 K CA 1.462 57.839 56.287 0.150 0.000 0.932 370 K CB -0.082 32.482 32.500 0.107 0.000 0.715 370 K HN 0.177 nan 8.250 nan 0.000 0.437 371 K N 0.433 120.852 120.400 0.031 0.000 2.057 371 K HA -0.185 4.135 4.320 -0.000 0.000 0.207 371 K C 2.334 178.952 176.600 0.030 0.000 1.049 371 K CA 1.767 58.063 56.287 0.016 0.000 0.931 371 K CB -0.100 32.398 32.500 -0.004 0.000 0.714 371 K HN 0.322 nan 8.250 nan 0.000 0.440 372 Q N -0.209 119.598 119.800 0.013 0.000 2.079 372 Q HA -0.098 4.242 4.340 -0.000 0.000 0.200 372 Q C 1.929 178.029 176.000 0.166 0.000 0.974 372 Q CA 1.187 57.051 55.803 0.102 0.000 0.840 372 Q CB -0.104 28.633 28.738 -0.003 0.000 0.898 372 Q HN 0.224 nan 8.270 nan 0.000 0.430 373 F N 0.488 120.551 119.950 0.188 0.000 2.365 373 F HA -0.054 4.473 4.527 -0.000 0.000 0.300 373 F C 2.166 177.980 175.800 0.024 0.000 1.090 373 F CA 0.657 58.733 58.000 0.128 0.000 1.408 373 F CB -0.660 38.399 39.000 0.099 0.000 1.060 373 F HN 0.056 nan 8.300 nan 0.000 0.534 374 A N 0.342 123.251 122.820 0.149 0.000 1.855 374 A HA -0.111 4.209 4.320 -0.000 0.000 0.213 374 A C 2.326 179.821 177.584 -0.148 0.000 1.195 374 A CA 0.882 52.922 52.037 0.005 0.000 0.610 374 A CB -0.542 18.453 19.000 -0.009 0.000 0.837 374 A HN 0.250 nan 8.150 nan 0.000 0.444 375 R N -0.125 120.260 120.500 -0.191 0.000 2.200 375 R HA -0.089 4.250 4.340 -0.000 0.000 0.234 375 R C 2.214 178.047 176.300 -0.779 0.000 1.127 375 R CA 1.007 56.831 56.100 -0.460 0.000 0.989 375 R CB -0.402 29.766 30.300 -0.220 0.000 0.869 375 R HN 0.533 nan 8.270 nan 0.000 0.459 376 A N 1.354 123.866 122.820 -0.513 0.000 1.855 376 A HA -0.122 4.198 4.320 -0.000 0.000 0.213 376 A C 1.552 179.043 177.584 -0.156 0.000 1.195 376 A CA 1.247 53.062 52.037 -0.370 0.000 0.610 376 A CB -0.211 18.888 19.000 0.165 0.000 0.837 376 A HN 0.093 nan 8.150 nan 0.000 0.444 377 D N -0.223 120.120 120.400 -0.094 0.000 2.182 377 D HA -0.150 4.490 4.640 -0.000 0.000 0.201 377 D C 1.799 178.017 176.300 -0.136 0.000 0.986 377 D CA 1.308 55.266 54.000 -0.070 0.000 0.847 377 D CB -0.175 40.598 40.800 -0.046 0.000 0.942 377 D HN 0.553 nan 8.370 nan 0.000 0.467 378 K N -0.017 120.207 120.400 -0.293 0.000 1.985 378 K HA -0.148 4.172 4.320 -0.000 0.000 0.210 378 K C 1.913 178.321 176.600 -0.319 0.000 1.047 378 K CA 1.163 57.191 56.287 -0.431 0.000 0.932 378 K CB -0.233 31.794 32.500 -0.789 0.000 0.716 378 K HN 0.202 nan 8.250 nan 0.000 0.439 379 W N 0.215 121.434 121.300 -0.134 0.000 2.961 379 W HA 0.069 4.729 4.660 -0.000 0.000 0.240 379 W C 1.023 177.511 176.519 -0.051 0.000 1.305 379 W CA 0.068 57.358 57.345 -0.091 0.000 1.465 379 W CB 0.071 29.458 29.460 -0.122 0.000 1.135 379 W HN 0.481 nan 8.180 nan 0.000 0.688 380 G N 0.454 109.327 108.800 0.122 0.000 2.147 380 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.244 380 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.244 380 G C 0.307 175.263 174.900 0.094 0.000 1.005 380 G CA -0.356 44.795 45.100 0.085 0.000 0.713 380 G HN 0.496 nan 8.290 nan 0.000 0.515 381 A N -0.535 122.356 122.820 0.119 0.000 2.511 381 A HA 0.632 4.952 4.320 -0.000 0.000 0.242 381 A C 1.322 178.962 177.584 0.094 0.000 1.069 381 A CA 0.908 53.024 52.037 0.132 0.000 0.763 381 A CB 0.215 19.335 19.000 0.200 0.000 1.001 381 A HN 0.526 nan 8.150 nan 0.000 0.498 382 R N 0.776 121.325 120.500 0.082 0.000 2.223 382 R HA 0.234 4.574 4.340 -0.000 0.000 0.198 382 R C -0.452 175.885 176.300 0.060 0.000 0.984 382 R CA 0.576 56.709 56.100 0.057 0.000 1.018 382 R CB 0.273 30.600 30.300 0.044 0.000 0.945 382 R HN 0.557 nan 8.270 nan 0.000 0.479 383 V N -0.618 119.349 119.914 0.088 0.000 3.114 383 V HA 0.685 4.805 4.120 -0.000 0.000 0.308 383 V C -1.279 174.899 176.094 0.139 0.000 1.168 383 V CA -1.266 61.088 62.300 0.090 0.000 1.015 383 V CB 2.023 33.895 31.823 0.082 0.000 1.050 383 V HN 0.070 nan 8.190 nan 0.000 0.433 384 A N 1.483 124.386 122.820 0.138 0.000 2.422 384 A HA 0.865 5.185 4.320 -0.000 0.000 0.302 384 A C -0.883 176.779 177.584 0.130 0.000 1.041 384 A CA -0.524 51.633 52.037 0.200 0.000 0.708 384 A CB 1.974 21.189 19.000 0.359 0.000 1.257 384 A HN 1.806 nan 8.150 nan 0.000 0.414 385 V N 1.578 121.546 119.914 0.090 0.000 2.347 385 V HA 0.718 4.838 4.120 -0.000 0.000 0.280 385 V C -0.414 175.712 176.094 0.054 0.000 1.021 385 V CA -0.541 61.784 62.300 0.042 0.000 0.847 385 V CB 0.749 32.576 31.823 0.008 0.000 0.990 385 V HN 0.644 nan 8.190 nan 0.000 0.444 386 V N 6.725 126.681 119.914 0.070 0.000 2.498 386 V HA 0.447 4.567 4.120 -0.000 0.000 0.279 386 V C 0.031 176.161 176.094 0.061 0.000 1.048 386 V CA -0.322 62.031 62.300 0.088 0.000 0.967 386 V CB 1.279 33.150 31.823 0.078 0.000 0.988 386 V HN 0.855 nan 8.190 nan 0.000 0.473 387 L N 5.488 126.760 121.223 0.081 0.000 2.457 387 L HA 0.722 5.062 4.340 -0.000 0.000 0.252 387 L C 0.504 177.427 176.870 0.089 0.000 1.132 387 L CA 0.334 55.208 54.840 0.057 0.000 0.938 387 L CB 0.581 42.651 42.059 0.019 0.000 1.246 387 L HN 0.699 nan 8.230 nan 0.000 0.476 388 G N 1.253 110.127 108.800 0.124 0.000 2.508 388 G HA2 0.193 4.153 3.960 -0.000 0.000 0.278 388 G HA3 0.193 4.153 3.960 -0.000 0.000 0.278 388 G C 0.397 175.341 174.900 0.074 0.000 1.389 388 G CA -0.185 45.003 45.100 0.147 0.000 1.050 388 G HN 0.567 nan 8.290 nan 0.000 0.522 389 E N -0.537 119.702 120.200 0.065 0.000 2.072 389 E HA -0.101 4.249 4.350 -0.000 0.000 0.191 389 E C 2.866 179.485 176.600 0.032 0.000 0.985 389 E CA 1.248 57.670 56.400 0.037 0.000 0.801 389 E CB -0.061 29.657 29.700 0.030 0.000 0.750 389 E HN 0.350 nan 8.360 nan 0.000 0.452 390 S N 1.665 117.388 115.700 0.039 0.000 2.426 390 S HA -0.224 4.246 4.470 -0.000 0.000 0.220 390 S C 1.823 176.436 174.600 0.021 0.000 1.040 390 S CA 1.530 59.746 58.200 0.027 0.000 1.094 390 S CB -0.501 62.716 63.200 0.028 0.000 1.072 390 S HN 0.197 nan 8.310 nan 0.000 0.415 391 E N 1.034 121.247 120.200 0.022 0.000 2.164 391 E HA -0.173 4.177 4.350 -0.000 0.000 0.206 391 E C 2.009 178.616 176.600 0.012 0.000 1.032 391 E CA 1.239 57.647 56.400 0.013 0.000 0.832 391 E CB -1.089 28.620 29.700 0.015 0.000 0.742 391 E HN 0.344 nan 8.360 nan 0.000 0.460 392 V N 0.997 120.920 119.914 0.016 0.000 2.220 392 V HA -0.331 3.789 4.120 -0.000 0.000 0.246 392 V C 2.281 178.380 176.094 0.009 0.000 1.049 392 V CA 2.139 64.445 62.300 0.011 0.000 1.003 392 V CB -1.179 30.651 31.823 0.012 0.000 0.634 392 V HN 0.431 nan 8.190 nan 0.000 0.444 393 A N 0.809 123.635 122.820 0.010 0.000 1.892 393 A HA -0.253 4.067 4.320 -0.000 0.000 0.218 393 A C 1.811 179.399 177.584 0.007 0.000 1.188 393 A CA 2.313 54.355 52.037 0.008 0.000 0.631 393 A CB -0.780 18.226 19.000 0.009 0.000 0.822 393 A HN 0.651 nan 8.150 nan 0.000 0.447 394 N N -0.324 118.380 118.700 0.007 0.000 2.434 394 N HA 0.154 4.894 4.740 -0.000 0.000 0.196 394 N C 1.093 176.605 175.510 0.003 0.000 1.183 394 N CA 0.949 54.002 53.050 0.005 0.000 0.849 394 N CB -0.125 38.365 38.487 0.005 0.000 0.992 394 N HN 0.694 nan 8.380 nan 0.000 0.460 395 G N 0.881 109.683 108.800 0.003 0.000 2.233 395 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.270 395 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.270 395 G C 0.480 175.380 174.900 -0.001 0.000 1.011 395 G CA 1.353 46.454 45.100 0.002 0.000 0.762 395 G HN 0.545 nan 8.290 nan 0.000 0.511 396 T N -3.467 111.086 114.554 -0.002 0.000 2.804 396 T HA 0.970 5.320 4.350 -0.000 0.000 0.272 396 T C -0.157 174.537 174.700 -0.011 0.000 0.986 396 T CA 0.084 62.179 62.100 -0.009 0.000 0.999 396 T CB 2.457 71.319 68.868 -0.011 0.000 1.307 396 T HN 1.909 nan 8.240 nan 0.000 0.586 397 A N 0.198 123.004 122.820 -0.023 0.000 2.555 397 A HA 0.615 4.935 4.320 -0.000 0.000 0.297 397 A C -0.917 176.639 177.584 -0.047 0.000 1.060 397 A CA -0.815 51.208 52.037 -0.024 0.000 0.710 397 A CB 1.245 20.232 19.000 -0.023 0.000 1.282 397 A HN 0.883 nan 8.150 nan 0.000 0.399 398 V N 1.565 121.458 119.914 -0.036 0.000 2.583 398 V HA 0.383 4.503 4.120 -0.000 0.000 0.287 398 V C 0.065 176.121 176.094 -0.065 0.000 1.051 398 V CA -0.330 61.937 62.300 -0.056 0.000 1.010 398 V CB 1.417 33.216 31.823 -0.040 0.000 0.988 398 V HN 0.643 nan 8.190 nan 0.000 0.478 399 V N 5.374 125.214 119.914 -0.124 0.000 2.275 399 V HA 0.293 4.413 4.120 -0.000 0.000 0.272 399 V C 0.251 176.301 176.094 -0.072 0.000 1.028 399 V CA -0.644 61.580 62.300 -0.128 0.000 0.810 399 V CB 1.013 32.638 31.823 -0.330 0.000 1.043 399 V HN 0.830 nan 8.190 nan 0.000 0.453 400 K N 3.926 124.309 120.400 -0.029 0.000 2.267 400 K HA 0.183 4.503 4.320 -0.000 0.000 0.282 400 K C -0.220 176.358 176.600 -0.037 0.000 1.078 400 K CA -0.493 55.758 56.287 -0.061 0.000 0.903 400 K CB 0.590 33.016 32.500 -0.124 0.000 1.111 400 K HN 0.660 nan 8.250 nan 0.000 0.475 401 D N 5.352 125.736 120.400 -0.026 0.000 2.371 401 D HA -0.008 4.632 4.640 -0.000 0.000 0.256 401 D C 1.118 177.390 176.300 -0.046 0.000 1.193 401 D CA 0.019 54.016 54.000 -0.004 0.000 0.881 401 D CB 0.952 41.758 40.800 0.011 0.000 1.143 401 D HN 0.590 nan 8.370 nan 0.000 0.473 402 L N 3.867 125.073 121.223 -0.029 0.000 2.156 402 L HA -0.077 4.263 4.340 -0.000 0.000 0.208 402 L C 2.536 179.379 176.870 -0.045 0.000 1.095 402 L CA 0.499 55.307 54.840 -0.054 0.000 0.770 402 L CB -0.111 41.944 42.059 -0.007 0.000 0.914 402 L HN 0.340 nan 8.230 nan 0.000 0.439 403 R N 0.286 120.772 120.500 -0.023 0.000 2.070 403 R HA -0.140 4.200 4.340 -0.000 0.000 0.232 403 R C 2.677 178.959 176.300 -0.030 0.000 1.138 403 R CA 1.939 58.027 56.100 -0.020 0.000 0.936 403 R CB -0.508 29.786 30.300 -0.009 0.000 0.839 403 R HN 0.414 nan 8.270 nan 0.000 0.429 404 S N -1.467 114.215 115.700 -0.030 0.000 2.377 404 S HA 0.092 4.562 4.470 -0.000 0.000 0.223 404 S C 1.699 176.267 174.600 -0.053 0.000 1.030 404 S CA 0.834 59.014 58.200 -0.033 0.000 0.970 404 S CB 0.354 63.540 63.200 -0.024 0.000 0.830 404 S HN 0.577 nan 8.310 nan 0.000 0.473 405 G N 1.551 110.307 108.800 -0.073 0.000 2.238 405 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.217 405 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.217 405 G C -0.113 174.718 174.900 -0.114 0.000 0.996 405 G CA 0.013 45.044 45.100 -0.115 0.000 0.632 405 G HN 0.888 nan 8.290 nan 0.000 0.503 406 E N 1.433 121.590 120.200 -0.071 0.000 2.366 406 E HA 0.583 4.933 4.350 -0.000 0.000 0.266 406 E C 0.266 176.834 176.600 -0.054 0.000 1.051 406 E CA -0.321 56.045 56.400 -0.057 0.000 0.884 406 E CB 0.591 30.274 29.700 -0.029 0.000 1.006 406 E HN 0.636 nan 8.360 nan 0.000 0.417 407 Q N 1.065 120.832 119.800 -0.054 0.000 2.587 407 Q HA 0.603 4.943 4.340 -0.000 0.000 0.293 407 Q C -0.995 174.983 176.000 -0.037 0.000 1.083 407 Q CA -1.065 54.706 55.803 -0.053 0.000 0.792 407 Q CB 2.056 30.747 28.738 -0.078 0.000 1.484 407 Q HN 0.733 nan 8.270 nan 0.000 0.446 408 T N -3.249 111.273 114.554 -0.054 0.000 3.291 408 T HA 0.648 4.998 4.350 -0.000 0.000 0.344 408 T C -0.950 173.700 174.700 -0.083 0.000 1.293 408 T CA -0.459 61.614 62.100 -0.045 0.000 1.108 408 T CB 1.210 70.079 68.868 0.003 0.000 1.231 408 T HN 0.852 nan 8.240 nan 0.000 0.474 409 A N 2.719 125.506 122.820 -0.055 0.000 2.450 409 A HA 0.665 4.985 4.320 -0.000 0.000 0.255 409 A C 0.089 177.635 177.584 -0.062 0.000 1.096 409 A CA -0.395 51.609 52.037 -0.056 0.000 0.778 409 A CB 0.027 19.008 19.000 -0.031 0.000 1.031 409 A HN 1.097 nan 8.150 nan 0.000 0.494 410 V N 1.894 121.759 119.914 -0.081 0.000 2.735 410 V HA 0.616 4.736 4.120 -0.000 0.000 0.310 410 V C 0.651 176.723 176.094 -0.037 0.000 1.061 410 V CA -0.510 61.748 62.300 -0.069 0.000 0.913 410 V CB 1.667 33.401 31.823 -0.148 0.000 1.005 410 V HN 1.248 nan 8.190 nan 0.000 0.428 411 A N 2.505 125.317 122.820 -0.013 0.000 2.520 411 A HA 0.192 4.512 4.320 -0.000 0.000 0.245 411 A C 1.118 178.700 177.584 -0.004 0.000 1.072 411 A CA 0.131 52.165 52.037 -0.004 0.000 0.761 411 A CB 0.049 19.052 19.000 0.006 0.000 1.004 411 A HN 0.986 nan 8.150 nan 0.000 0.499 412 Q N 1.172 120.969 119.800 -0.004 0.000 2.217 412 Q HA -0.259 4.081 4.340 -0.000 0.000 0.209 412 Q C 0.861 176.864 176.000 0.005 0.000 0.988 412 Q CA 2.449 58.250 55.803 -0.002 0.000 0.878 412 Q CB -0.132 28.605 28.738 -0.001 0.000 0.909 412 Q HN 0.939 nan 8.270 nan 0.000 0.424 413 D N -0.718 119.687 120.400 0.008 0.000 2.117 413 D HA -0.088 4.552 4.640 -0.000 0.000 0.198 413 D C 1.609 177.921 176.300 0.020 0.000 0.982 413 D CA 1.334 55.341 54.000 0.013 0.000 0.828 413 D CB 0.012 40.819 40.800 0.012 0.000 0.967 413 D HN 0.021 nan 8.370 nan 0.000 0.464 414 S N -0.060 115.655 115.700 0.025 0.000 2.562 414 S HA -0.041 4.429 4.470 -0.000 0.000 0.221 414 S C 2.209 176.848 174.600 0.065 0.000 0.975 414 S CA 0.299 58.525 58.200 0.042 0.000 0.918 414 S CB 0.049 63.276 63.200 0.046 0.000 0.772 414 S HN 0.313 nan 8.310 nan 0.000 0.531 415 V N 0.536 120.474 119.914 0.040 0.000 2.407 415 V HA -0.078 4.042 4.120 -0.000 0.000 0.248 415 V C 2.369 178.507 176.094 0.074 0.000 1.055 415 V CA 1.460 63.783 62.300 0.039 0.000 1.049 415 V CB -1.534 30.282 31.823 -0.011 0.000 0.662 415 V HN 0.391 nan 8.190 nan 0.000 0.455 416 A N 0.928 123.779 122.820 0.051 0.000 1.908 416 A HA -0.000 4.320 4.320 -0.000 0.000 0.218 416 A C 2.472 180.092 177.584 0.059 0.000 1.181 416 A CA 2.608 54.673 52.037 0.048 0.000 0.627 416 A CB -1.083 17.935 19.000 0.031 0.000 0.818 416 A HN 1.003 nan 8.150 nan 0.000 0.445 417 A N -1.876 120.982 122.820 0.062 0.000 2.014 417 A HA -0.100 4.220 4.320 -0.000 0.000 0.218 417 A C 2.085 179.708 177.584 0.064 0.000 1.163 417 A CA 1.488 53.555 52.037 0.049 0.000 0.652 417 A CB -0.768 18.254 19.000 0.036 0.000 0.808 417 A HN 0.717 nan 8.150 nan 0.000 0.449 418 H N 0.599 119.672 119.070 0.005 0.000 2.276 418 H HA -0.052 4.504 4.556 -0.000 0.000 0.301 418 H C 1.904 177.235 175.328 0.006 0.000 1.073 418 H CA 1.983 58.034 56.048 0.004 0.000 1.311 418 H CB -0.398 29.366 29.762 0.004 0.000 1.379 418 H HN 0.395 nan 8.280 nan 0.000 0.494 419 L N 0.512 121.883 121.223 0.246 0.000 1.963 419 L HA -0.253 4.087 4.340 -0.000 0.000 0.220 419 L C 2.990 179.907 176.870 0.078 0.000 1.076 419 L CA 1.928 56.864 54.840 0.160 0.000 0.772 419 L CB -0.687 41.431 42.059 0.098 0.000 0.892 419 L HN 0.238 nan 8.230 nan 0.000 0.435 420 R N -0.444 120.088 120.500 0.052 0.000 2.204 420 R HA -0.218 4.122 4.340 -0.000 0.000 0.253 420 R C 2.025 178.327 176.300 0.003 0.000 1.172 420 R CA 2.091 58.206 56.100 0.024 0.000 0.994 420 R CB -0.329 29.983 30.300 0.020 0.000 0.874 420 R HN 0.337 nan 8.270 nan 0.000 0.462 421 T N 0.396 114.939 114.554 -0.019 0.000 2.985 421 T HA 0.045 4.395 4.350 -0.000 0.000 0.266 421 T C 1.583 176.256 174.700 -0.045 0.000 1.076 421 T CA 0.766 62.833 62.100 -0.054 0.000 1.135 421 T CB 0.106 68.900 68.868 -0.123 0.000 0.890 421 T HN 0.186 nan 8.240 nan 0.000 0.480 422 L N 0.196 121.407 121.223 -0.020 0.000 2.202 422 L HA 0.234 4.574 4.340 -0.000 0.000 0.205 422 L C 1.912 178.789 176.870 0.012 0.000 1.083 422 L CA 0.653 55.493 54.840 0.001 0.000 0.790 422 L CB -0.222 41.863 42.059 0.043 0.000 0.942 422 L HN 0.201 nan 8.230 nan 0.000 0.452 423 L N -0.060 121.175 121.223 0.020 0.000 2.610 423 L HA 0.148 4.488 4.340 -0.000 0.000 0.232 423 L C 1.172 178.047 176.870 0.008 0.000 1.149 423 L CA 0.210 55.061 54.840 0.019 0.000 0.872 423 L CB -1.262 40.813 42.059 0.026 0.000 0.992 423 L HN 0.395 nan 8.230 nan 0.000 0.447 424 G N 0.000 108.800 108.800 0.001 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 45.097 45.100 -0.004 0.000 0.502 424 G HN 0.000 nan 8.290 nan 0.000 0.925