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 1htt_1_A 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 RANYXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXLDEES REHFAGLCKL LESAGIAYTV DATA SEQUENCE NQRLVRGLDY YNRTVFEWVT NXXXXQGTVC 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 0.000 175.508 175.510 -0.003 0.000 1.280 4 N CA 0.000 53.048 53.050 -0.003 0.000 0.885 4 N CB 0.000 38.485 38.487 -0.003 0.000 1.341 5 I N 0.816 121.384 120.570 -0.004 0.000 2.713 5 I HA 0.265 4.458 4.170 0.039 0.000 0.300 5 I C 0.341 176.454 176.117 -0.006 0.000 1.009 5 I CA -0.355 60.942 61.300 -0.005 0.000 1.305 5 I CB 0.829 38.825 38.000 -0.006 0.000 1.430 5 I HN 0.406 nan 8.210 nan 0.000 0.546 6 Q N 2.493 122.290 119.800 -0.005 0.000 2.572 6 Q HA 0.679 5.042 4.340 0.039 0.000 0.284 6 Q C -0.852 175.143 176.000 -0.008 0.000 1.091 6 Q CA -1.062 54.737 55.803 -0.007 0.000 0.840 6 Q CB 1.917 30.654 28.738 -0.003 0.000 1.433 6 Q HN 0.698 nan 8.270 nan 0.000 0.471 7 A N 0.779 123.592 122.820 -0.012 0.000 2.327 7 A HA 0.413 4.757 4.320 0.039 0.000 0.283 7 A C -0.151 177.434 177.584 0.001 0.000 1.127 7 A CA -0.444 51.585 52.037 -0.014 0.000 0.810 7 A CB 0.010 18.992 19.000 -0.030 0.000 1.066 7 A HN 0.484 nan 8.150 nan 0.000 0.492 8 I N 1.621 122.196 120.570 0.007 0.000 2.826 8 I HA -0.040 4.154 4.170 0.039 0.000 0.295 8 I C 1.440 177.575 176.117 0.030 0.000 1.213 8 I CA 0.647 61.963 61.300 0.026 0.000 1.436 8 I CB 0.019 38.040 38.000 0.034 0.000 1.348 8 I HN 0.735 nan 8.210 nan 0.000 0.570 9 R N 5.193 125.715 120.500 0.036 0.000 2.538 9 R HA 0.248 4.611 4.340 0.039 0.000 0.282 9 R C 1.019 177.348 176.300 0.049 0.000 1.009 9 R CA 0.921 57.043 56.100 0.036 0.000 1.063 9 R CB -0.039 30.279 30.300 0.031 0.000 0.945 9 R HN 0.963 nan 8.270 nan 0.000 0.414 10 G N 3.512 112.355 108.800 0.072 0.000 2.148 10 G HA2 -0.286 3.698 3.960 0.039 0.000 0.254 10 G HA3 -0.286 3.698 3.960 0.039 0.000 0.254 10 G C -0.076 174.912 174.900 0.146 0.000 0.981 10 G CA 0.430 45.607 45.100 0.130 0.000 0.670 10 G HN 0.549 nan 8.290 nan 0.000 0.528 11 M N 0.600 120.241 119.600 0.070 0.000 2.190 11 M HA 0.355 4.858 4.480 0.039 0.000 0.312 11 M C -0.194 176.061 176.300 -0.075 0.000 0.990 11 M CA -0.472 54.838 55.300 0.017 0.000 0.927 11 M CB 1.461 34.073 32.600 0.021 0.000 1.571 11 M HN 0.233 nan 8.290 nan 0.000 0.427 12 N N 1.230 119.811 118.700 -0.199 0.000 2.489 12 N HA 0.370 5.133 4.740 0.039 0.000 0.284 12 N C -1.486 173.683 175.510 -0.569 0.000 1.158 12 N CA -0.766 52.029 53.050 -0.425 0.000 0.965 12 N CB 1.247 39.311 38.487 -0.705 0.000 1.195 12 N HN 0.467 nan 8.380 nan 0.000 0.506 13 D N 0.900 120.981 120.400 -0.531 0.000 2.193 13 D HA 0.178 4.841 4.640 0.039 0.000 0.244 13 D C -0.930 175.017 176.300 -0.587 0.000 1.064 13 D CA -0.027 53.711 54.000 -0.437 0.000 0.845 13 D CB 0.982 41.653 40.800 -0.215 0.000 1.148 13 D HN 0.393 nan 8.370 nan 0.000 0.464 14 Y N 1.368 121.544 120.300 -0.208 0.000 2.369 14 Y HA 0.283 4.856 4.550 0.039 0.000 0.337 14 Y C 0.777 176.587 175.900 -0.150 0.000 0.961 14 Y CA -0.662 57.289 58.100 -0.248 0.000 1.186 14 Y CB 0.837 38.982 38.460 -0.524 0.000 1.139 14 Y HN 0.096 nan 8.280 nan 0.000 0.494 15 L N 5.230 126.470 121.223 0.028 0.000 2.476 15 L HA 0.161 4.524 4.340 0.039 0.000 0.255 15 L C -1.172 175.731 176.870 0.055 0.000 1.218 15 L CA -1.653 53.204 54.840 0.028 0.000 0.819 15 L CB 0.539 42.609 42.059 0.018 0.000 1.119 15 L HN 0.379 nan 8.230 nan 0.000 0.485 16 P HA -0.185 nan 4.420 nan 0.000 0.216 16 P C 1.364 178.721 177.300 0.094 0.000 1.157 16 P CA 1.569 64.718 63.100 0.082 0.000 0.880 16 P CB 0.088 31.850 31.700 0.103 0.000 0.791 17 G N -0.603 108.249 108.800 0.086 0.000 2.442 17 G HA2 -0.270 3.714 3.960 0.039 0.000 0.219 17 G HA3 -0.270 3.714 3.960 0.039 0.000 0.219 17 G C 1.626 176.597 174.900 0.118 0.000 1.141 17 G CA 0.594 45.748 45.100 0.091 0.000 0.763 17 G HN 0.290 nan 8.290 nan 0.000 0.554 18 E N -0.633 119.650 120.200 0.138 0.000 2.276 18 E HA -0.026 4.347 4.350 0.039 0.000 0.193 18 E C 2.454 179.219 176.600 0.276 0.000 0.983 18 E CA 0.448 56.976 56.400 0.214 0.000 0.861 18 E CB 0.084 29.926 29.700 0.236 0.000 0.817 18 E HN 0.303 nan 8.360 nan 0.000 0.485 19 T N 0.204 114.847 114.554 0.148 0.000 2.833 19 T HA -0.088 4.286 4.350 0.039 0.000 0.269 19 T C 1.713 176.519 174.700 0.177 0.000 1.054 19 T CA 1.159 63.323 62.100 0.107 0.000 1.135 19 T CB -0.071 68.809 68.868 0.020 0.000 0.869 19 T HN 0.259 nan 8.240 nan 0.000 0.466 20 A N 1.518 124.428 122.820 0.150 0.000 1.902 20 A HA -0.032 4.311 4.320 0.039 0.000 0.217 20 A C 2.196 179.873 177.584 0.156 0.000 1.181 20 A CA 1.184 53.300 52.037 0.131 0.000 0.623 20 A CB -0.587 18.479 19.000 0.109 0.000 0.818 20 A HN 0.501 nan 8.150 nan 0.000 0.443 21 I N -2.097 118.584 120.570 0.185 0.000 2.179 21 I HA -0.245 3.948 4.170 0.039 0.000 0.242 21 I C 2.366 178.553 176.117 0.117 0.000 1.088 21 I CA 1.063 62.468 61.300 0.175 0.000 1.357 21 I CB -1.499 36.583 38.000 0.136 0.000 1.051 21 I HN 0.537 nan 8.210 nan 0.000 0.409 22 W N 1.959 123.237 121.300 -0.038 0.000 2.318 22 W HA -0.246 4.438 4.660 0.040 0.000 0.313 22 W C 2.911 179.390 176.519 -0.067 0.000 1.221 22 W CA 1.809 59.089 57.345 -0.108 0.000 1.266 22 W CB -0.681 28.661 29.460 -0.196 0.000 1.150 22 W HN 0.328 nan 8.180 nan 0.000 0.496 23 Q N 0.062 119.974 119.800 0.187 0.000 2.170 23 Q HA -0.180 4.184 4.340 0.039 0.000 0.203 23 Q C 2.111 178.165 176.000 0.089 0.000 0.976 23 Q CA 1.444 57.314 55.803 0.113 0.000 0.858 23 Q CB -0.917 27.878 28.738 0.095 0.000 0.907 23 Q HN 0.406 nan 8.270 nan 0.000 0.433 24 R N 0.832 121.404 120.500 0.120 0.000 2.075 24 R HA -0.005 4.358 4.340 0.039 0.000 0.232 24 R C 2.363 178.767 176.300 0.173 0.000 1.126 24 R CA 1.107 57.303 56.100 0.159 0.000 0.963 24 R CB -0.062 30.381 30.300 0.237 0.000 0.858 24 R HN 0.298 nan 8.270 nan 0.000 0.435 25 I N 0.414 121.023 120.570 0.065 0.000 2.252 25 I HA -0.214 3.979 4.170 0.039 0.000 0.245 25 I C 1.814 177.841 176.117 -0.150 0.000 1.102 25 I CA 1.362 62.583 61.300 -0.133 0.000 1.385 25 I CB -0.311 37.456 38.000 -0.389 0.000 1.064 25 I HN 0.268 nan 8.210 nan 0.000 0.414 26 E N 1.067 121.206 120.200 -0.103 0.000 2.106 26 E HA -0.121 4.252 4.350 0.039 0.000 0.192 26 E C 2.336 178.891 176.600 -0.074 0.000 0.984 26 E CA 1.069 57.410 56.400 -0.098 0.000 0.806 26 E CB -0.316 29.380 29.700 -0.008 0.000 0.750 26 E HN 0.563 nan 8.360 nan 0.000 0.458 27 G N 0.999 109.791 108.800 -0.014 0.000 2.476 27 G HA2 -0.314 3.669 3.960 0.039 0.000 0.218 27 G HA3 -0.314 3.669 3.960 0.039 0.000 0.218 27 G C 1.650 176.539 174.900 -0.018 0.000 1.164 27 G CA 1.494 46.594 45.100 0.000 0.000 0.768 27 G HN 0.197 nan 8.290 nan 0.000 0.560 28 T N 1.335 115.881 114.554 -0.015 0.000 2.788 28 T HA -0.023 4.351 4.350 0.039 0.000 0.268 28 T C 2.420 177.089 174.700 -0.052 0.000 1.044 28 T CA 0.989 63.085 62.100 -0.006 0.000 1.139 28 T CB -0.166 68.720 68.868 0.030 0.000 0.867 28 T HN 0.178 nan 8.240 nan 0.000 0.454 29 L N 0.310 121.415 121.223 -0.196 0.000 2.027 29 L HA -0.038 4.326 4.340 0.039 0.000 0.206 29 L C 2.589 179.387 176.870 -0.120 0.000 1.074 29 L CA 1.347 55.992 54.840 -0.325 0.000 0.745 29 L CB -0.472 41.191 42.059 -0.659 0.000 0.898 29 L HN 0.193 nan 8.230 nan 0.000 0.433 30 K N -0.031 120.231 120.400 -0.230 0.000 2.148 30 K HA -0.161 4.182 4.320 0.039 0.000 0.204 30 K C 1.935 178.459 176.600 -0.128 0.000 1.050 30 K CA 1.167 57.260 56.287 -0.324 0.000 0.942 30 K CB -0.274 32.089 32.500 -0.228 0.000 0.724 30 K HN 0.340 nan 8.250 nan 0.000 0.446 31 N N 1.145 119.825 118.700 -0.033 0.000 2.080 31 N HA -0.147 4.616 4.740 0.039 0.000 0.189 31 N C 1.681 177.219 175.510 0.047 0.000 1.036 31 N CA 1.476 54.538 53.050 0.020 0.000 0.846 31 N CB 0.055 38.559 38.487 0.028 0.000 1.015 31 N HN -0.063 nan 8.380 nan 0.000 0.423 32 V N 1.610 121.577 119.914 0.090 0.000 2.594 32 V HA -0.171 3.972 4.120 0.039 0.000 0.253 32 V C 2.496 178.651 176.094 0.101 0.000 1.069 32 V CA 1.046 63.424 62.300 0.129 0.000 1.082 32 V CB -0.466 31.485 31.823 0.213 0.000 0.680 32 V HN 0.270 nan 8.190 nan 0.000 0.469 33 L N 0.398 121.615 121.223 -0.010 0.000 2.095 33 L HA 0.043 4.406 4.340 0.039 0.000 0.204 33 L C 2.667 179.578 176.870 0.069 0.000 1.080 33 L CA 1.537 56.289 54.840 -0.148 0.000 0.759 33 L CB -0.994 40.802 42.059 -0.438 0.000 0.914 33 L HN 0.417 nan 8.230 nan 0.000 0.439 34 G N -0.205 108.644 108.800 0.082 0.000 2.440 34 G HA2 -0.307 3.676 3.960 0.039 0.000 0.218 34 G HA3 -0.307 3.676 3.960 0.039 0.000 0.218 34 G C 1.710 176.694 174.900 0.139 0.000 1.154 34 G CA 1.055 46.247 45.100 0.153 0.000 0.767 34 G HN 0.500 nan 8.290 nan 0.000 0.552 35 S N -0.532 115.225 115.700 0.095 0.000 2.465 35 S HA -0.083 4.410 4.470 0.039 0.000 0.241 35 S C 1.766 176.342 174.600 -0.040 0.000 1.000 35 S CA 0.939 59.145 58.200 0.010 0.000 0.964 35 S CB -0.448 62.718 63.200 -0.057 0.000 0.763 35 S HN 0.459 nan 8.310 nan 0.000 0.512 36 Y N 1.535 121.858 120.300 0.038 0.000 2.458 36 Y HA 0.428 5.001 4.550 0.039 0.000 0.256 36 Y C 1.766 177.839 175.900 0.289 0.000 1.159 36 Y CA -0.370 57.802 58.100 0.121 0.000 1.261 36 Y CB 0.032 38.508 38.460 0.026 0.000 1.119 36 Y HN 0.381 nan 8.280 nan 0.000 0.524 37 G N -0.434 108.580 108.800 0.357 0.000 2.160 37 G HA2 -0.320 3.663 3.960 0.039 0.000 0.244 37 G HA3 -0.320 3.663 3.960 0.039 0.000 0.244 37 G C -0.491 174.587 174.900 0.296 0.000 1.022 37 G CA -0.417 44.839 45.100 0.260 0.000 0.741 37 G HN 0.249 nan 8.290 nan 0.000 0.508 38 Y N 1.296 121.717 120.300 0.201 0.000 2.316 38 Y HA 0.557 5.130 4.550 0.039 0.000 0.331 38 Y C 1.069 177.184 175.900 0.359 0.000 1.083 38 Y CA -0.282 57.976 58.100 0.264 0.000 1.206 38 Y CB 1.526 40.161 38.460 0.292 0.000 1.195 38 Y HN 0.172 nan 8.280 nan 0.000 0.497 39 S N 2.329 118.214 115.700 0.307 0.000 2.578 39 S HA 0.222 4.715 4.470 0.039 0.000 0.283 39 S C -0.391 174.132 174.600 -0.128 0.000 1.195 39 S CA -1.067 57.235 58.200 0.170 0.000 1.050 39 S CB 1.127 64.363 63.200 0.061 0.000 1.012 39 S HN 0.634 nan 8.310 nan 0.000 0.511 40 E N 1.534 121.533 120.200 -0.334 0.000 2.313 40 E HA 0.449 4.823 4.350 0.039 0.000 0.276 40 E C -1.100 175.234 176.600 -0.444 0.000 1.031 40 E CA -0.320 55.532 56.400 -0.914 0.000 0.857 40 E CB 0.655 29.853 29.700 -0.835 0.000 1.040 40 E HN 0.553 nan 8.360 nan 0.000 0.408 41 I N 3.537 123.887 120.570 -0.367 0.000 2.569 41 I HA 0.414 4.607 4.170 0.039 0.000 0.296 41 I C -0.970 175.090 176.117 -0.096 0.000 1.028 41 I CA -0.929 60.288 61.300 -0.138 0.000 1.082 41 I CB 1.244 39.235 38.000 -0.016 0.000 1.264 41 I HN 0.549 nan 8.210 nan 0.000 0.429 42 R N 7.032 127.495 120.500 -0.061 0.000 2.387 42 R HA 0.688 5.051 4.340 0.039 0.000 0.314 42 R C -1.485 174.810 176.300 -0.007 0.000 0.958 42 R CA -0.554 55.528 56.100 -0.030 0.000 0.846 42 R CB 1.795 32.077 30.300 -0.031 0.000 1.147 42 R HN 0.517 nan 8.270 nan 0.000 0.447 43 L N 3.239 124.458 121.223 -0.006 0.000 2.341 43 L HA 0.605 4.968 4.340 0.039 0.000 0.267 43 L C -2.028 174.845 176.870 0.006 0.000 1.009 43 L CA -2.332 52.506 54.840 -0.004 0.000 0.819 43 L CB 1.625 43.661 42.059 -0.038 0.000 1.323 43 L HN 0.384 nan 8.230 nan 0.000 0.425 44 P HA 0.201 nan 4.420 nan 0.000 0.269 44 P C 0.601 177.933 177.300 0.054 0.000 1.215 44 P CA -0.294 62.826 63.100 0.035 0.000 0.780 44 P CB 0.872 32.592 31.700 0.032 0.000 0.898 45 I N 0.318 120.931 120.570 0.073 0.000 2.716 45 I HA -0.035 4.159 4.170 0.039 0.000 0.259 45 I C 0.859 177.050 176.117 0.124 0.000 1.172 45 I CA 0.710 62.076 61.300 0.111 0.000 1.478 45 I CB 0.055 38.129 38.000 0.124 0.000 1.104 45 I HN 0.172 nan 8.210 nan 0.000 0.439 46 V N -0.948 119.028 119.914 0.102 0.000 2.417 46 V HA 0.532 4.675 4.120 0.039 0.000 0.291 46 V C -0.458 175.692 176.094 0.094 0.000 1.024 46 V CA -0.521 61.850 62.300 0.118 0.000 0.861 46 V CB 1.996 33.887 31.823 0.113 0.000 0.985 46 V HN -0.003 nan 8.190 nan 0.000 0.436 47 E N 2.551 122.834 120.200 0.138 0.000 2.355 47 E HA 0.437 4.810 4.350 0.039 0.000 0.261 47 E C -0.898 175.686 176.600 -0.028 0.000 0.943 47 E CA -1.024 55.373 56.400 -0.005 0.000 0.806 47 E CB 1.573 31.166 29.700 -0.178 0.000 1.286 47 E HN 0.763 nan 8.360 nan 0.000 0.424 48 Q N 0.872 120.605 119.800 -0.113 0.000 2.330 48 Q HA 0.062 4.425 4.340 0.039 0.000 0.279 48 Q C 0.944 176.906 176.000 -0.064 0.000 1.024 48 Q CA 0.407 56.152 55.803 -0.097 0.000 0.900 48 Q CB 0.360 29.032 28.738 -0.109 0.000 1.221 48 Q HN 0.562 nan 8.270 nan 0.000 0.396 49 T N 3.121 117.683 114.554 0.013 0.000 2.737 49 T HA -0.119 4.254 4.350 0.039 0.000 0.269 49 T C -0.976 173.773 174.700 0.081 0.000 1.040 49 T CA 1.344 63.519 62.100 0.124 0.000 1.142 49 T CB -0.879 68.024 68.868 0.058 0.000 0.861 49 T HN 0.551 nan 8.240 nan 0.000 0.456 50 P HA -0.010 nan 4.420 nan 0.000 0.220 50 P C 1.713 178.979 177.300 -0.056 0.000 1.148 50 P CA 0.603 63.691 63.100 -0.019 0.000 0.803 50 P CB -0.176 31.502 31.700 -0.037 0.000 0.782 51 L N -0.924 120.198 121.223 -0.169 0.000 2.017 51 L HA -0.129 4.234 4.340 0.039 0.000 0.208 51 L C 2.336 179.070 176.870 -0.225 0.000 1.073 51 L CA 1.994 56.666 54.840 -0.281 0.000 0.745 51 L CB -1.338 40.408 42.059 -0.521 0.000 0.894 51 L HN -0.226 nan 8.230 nan 0.000 0.432 52 F N -0.025 119.934 119.950 0.014 0.000 2.113 52 F HA -0.121 4.427 4.527 0.035 0.000 0.297 52 F C 2.381 178.200 175.800 0.033 0.000 1.103 52 F CA 1.111 59.131 58.000 0.034 0.000 1.248 52 F CB -0.857 38.165 39.000 0.037 0.000 0.999 52 F HN -0.018 nan 8.300 nan 0.000 0.475 53 K N 0.406 120.928 120.400 0.203 0.000 2.063 53 K HA -0.139 4.204 4.320 0.039 0.000 0.208 53 K C 2.189 178.838 176.600 0.081 0.000 1.048 53 K CA 1.276 57.633 56.287 0.116 0.000 0.928 53 K CB -0.532 32.011 32.500 0.073 0.000 0.713 53 K HN 0.291 nan 8.250 nan 0.000 0.442 54 R N 0.100 120.631 120.500 0.052 0.000 2.073 54 R HA 0.009 4.373 4.340 0.039 0.000 0.229 54 R C 2.371 178.706 176.300 0.060 0.000 1.120 54 R CA 1.127 57.248 56.100 0.035 0.000 0.967 54 R CB -0.233 30.067 30.300 0.000 0.000 0.862 54 R HN 0.182 nan 8.270 nan 0.000 0.436 55 A N 1.136 124.002 122.820 0.076 0.000 1.843 55 A HA -0.029 4.314 4.320 0.039 0.000 0.213 55 A C 2.122 179.836 177.584 0.217 0.000 1.202 55 A CA 0.828 52.945 52.037 0.133 0.000 0.607 55 A CB -0.351 18.714 19.000 0.109 0.000 0.847 55 A HN 0.120 nan 8.150 nan 0.000 0.445 56 I N -0.863 119.823 120.570 0.193 0.000 2.439 56 I HA 0.164 4.358 4.170 0.039 0.000 0.251 56 I C 1.184 177.318 176.117 0.028 0.000 1.139 56 I CA 0.971 62.331 61.300 0.099 0.000 1.438 56 I CB -0.419 37.657 38.000 0.127 0.000 1.085 56 I HN 0.501 nan 8.210 nan 0.000 0.427 57 G N 1.058 109.895 108.800 0.063 0.000 2.885 57 G HA2 -0.106 3.877 3.960 0.039 0.000 0.685 57 G HA3 -0.106 3.877 3.960 0.039 0.000 0.685 57 G C 0.126 175.051 174.900 0.042 0.000 1.216 57 G CA -0.688 44.438 45.100 0.044 0.000 0.790 57 G HN 0.042 nan 8.290 nan 0.000 0.631 58 E N -0.147 120.076 120.200 0.038 0.000 2.051 58 E HA -0.118 4.256 4.350 0.039 0.000 0.192 58 E C 1.861 178.474 176.600 0.023 0.000 0.991 58 E CA 1.784 58.203 56.400 0.031 0.000 0.799 58 E CB 0.130 29.845 29.700 0.026 0.000 0.748 58 E HN 0.832 nan 8.360 nan 0.000 0.449 59 V N 1.791 121.717 119.914 0.020 0.000 2.174 59 V HA 0.215 4.358 4.120 0.039 0.000 0.259 59 V C -0.623 175.479 176.094 0.014 0.000 1.261 59 V CA 0.261 62.569 62.300 0.015 0.000 1.137 59 V CB 0.323 32.154 31.823 0.014 0.000 1.290 59 V HN 0.032 nan 8.190 nan 0.000 0.486 60 T N 2.871 117.433 114.554 0.013 0.000 2.923 60 T HA 0.325 4.698 4.350 0.039 0.000 0.311 60 T C 0.483 175.188 174.700 0.010 0.000 1.183 60 T CA -0.169 61.937 62.100 0.010 0.000 1.020 60 T CB 1.705 70.577 68.868 0.007 0.000 1.165 60 T HN 0.600 nan 8.240 nan 0.000 0.482 61 D N 2.182 122.587 120.400 0.008 0.000 2.182 61 D HA -0.094 4.569 4.640 0.039 0.000 0.201 61 D C 2.106 178.414 176.300 0.012 0.000 0.986 61 D CA 0.858 54.862 54.000 0.008 0.000 0.847 61 D CB -0.352 40.452 40.800 0.006 0.000 0.942 61 D HN 0.271 nan 8.370 nan 0.000 0.467 62 V N 0.675 120.600 119.914 0.019 0.000 2.307 62 V HA -0.188 3.955 4.120 0.039 0.000 0.245 62 V C 2.630 178.734 176.094 0.016 0.000 1.045 62 V CA 1.096 63.411 62.300 0.026 0.000 1.024 62 V CB -0.250 31.595 31.823 0.036 0.000 0.651 62 V HN 0.100 nan 8.190 nan 0.000 0.449 63 V N -0.572 119.355 119.914 0.022 0.000 2.407 63 V HA -0.191 3.953 4.120 0.039 0.000 0.245 63 V C 2.362 178.462 176.094 0.010 0.000 1.041 63 V CA 1.905 64.221 62.300 0.026 0.000 1.040 63 V CB -0.428 31.423 31.823 0.047 0.000 0.671 63 V HN 0.558 nan 8.190 nan 0.000 0.455 64 E N 0.934 121.139 120.200 0.007 0.000 2.038 64 E HA -0.213 4.161 4.350 0.039 0.000 0.195 64 E C 1.794 178.385 176.600 -0.015 0.000 1.000 64 E CA 1.690 58.089 56.400 -0.002 0.000 0.803 64 E CB 0.107 29.807 29.700 -0.000 0.000 0.750 64 E HN 0.613 nan 8.360 nan 0.000 0.448 65 K N -1.522 118.869 120.400 -0.015 0.000 2.553 65 K HA 0.195 4.538 4.320 0.039 0.000 0.205 65 K C 0.551 177.133 176.600 -0.029 0.000 1.168 65 K CA 0.119 56.388 56.287 -0.031 0.000 1.043 65 K CB 0.761 33.248 32.500 -0.022 0.000 0.967 65 K HN -0.026 nan 8.250 nan 0.000 0.585 66 E N 0.711 120.908 120.200 -0.005 0.000 2.465 66 E HA 0.310 4.683 4.350 0.039 0.000 0.209 66 E C 0.075 176.693 176.600 0.030 0.000 0.951 66 E CA -0.039 56.380 56.400 0.032 0.000 0.997 66 E CB 0.470 30.211 29.700 0.068 0.000 1.025 66 E HN 0.185 nan 8.360 nan 0.000 0.500 67 M N 0.800 120.396 119.600 -0.006 0.000 2.243 67 M HA 0.142 4.646 4.480 0.039 0.000 0.341 67 M C -0.719 175.587 176.300 0.011 0.000 1.130 67 M CA 0.143 55.452 55.300 0.016 0.000 1.162 67 M CB 0.357 32.931 32.600 -0.043 0.000 1.497 67 M HN -0.043 nan 8.290 nan 0.000 0.456 68 Y N 1.378 121.716 120.300 0.065 0.000 2.594 68 Y HA 0.243 4.811 4.550 0.030 0.000 0.342 68 Y C 0.320 176.297 175.900 0.128 0.000 1.010 68 Y CA -0.273 57.895 58.100 0.113 0.000 1.270 68 Y CB 0.232 38.760 38.460 0.112 0.000 1.125 68 Y HN 0.546 nan 8.280 nan 0.000 0.513 69 T N 4.860 119.533 114.554 0.199 0.000 2.929 69 T HA 0.728 5.102 4.350 0.039 0.000 0.284 69 T C -0.802 174.033 174.700 0.225 0.000 1.014 69 T CA -0.523 61.644 62.100 0.112 0.000 1.051 69 T CB 0.943 69.828 68.868 0.029 0.000 1.028 69 T HN 0.383 nan 8.240 nan 0.000 0.485 70 F N -1.337 118.636 119.950 0.037 0.000 2.741 70 F HA 0.657 5.185 4.527 0.001 0.000 0.311 70 F C -0.908 174.903 175.800 0.019 0.000 1.149 70 F CA -1.408 56.607 58.000 0.024 0.000 0.930 70 F CB 1.265 40.278 39.000 0.022 0.000 1.312 70 F HN 0.522 nan 8.300 nan 0.000 0.450 71 E N 1.209 121.510 120.200 0.168 0.000 2.249 71 E HA 0.309 4.682 4.350 0.039 0.000 0.280 71 E C -1.460 175.215 176.600 0.124 0.000 1.016 71 E CA -0.578 55.856 56.400 0.057 0.000 0.830 71 E CB 1.273 31.008 29.700 0.059 0.000 1.081 71 E HN 0.692 nan 8.360 nan 0.000 0.395 72 D N 1.827 122.248 120.400 0.036 0.000 2.340 72 D HA 0.143 4.806 4.640 0.039 0.000 0.251 72 D C 0.465 176.801 176.300 0.060 0.000 1.080 72 D CA -0.261 53.785 54.000 0.077 0.000 0.971 72 D CB 0.929 41.739 40.800 0.016 0.000 1.137 72 D HN 0.371 nan 8.370 nan 0.000 0.475 73 R N 0.555 121.092 120.500 0.061 0.000 2.395 73 R HA -0.048 4.315 4.340 0.039 0.000 0.202 73 R C 0.326 176.640 176.300 0.023 0.000 1.088 73 R CA 0.500 56.624 56.100 0.039 0.000 1.090 73 R CB -0.381 29.941 30.300 0.036 0.000 0.876 73 R HN 0.331 nan 8.270 nan 0.000 0.477 74 N N -2.272 116.437 118.700 0.016 0.000 2.232 74 N HA 0.073 4.837 4.740 0.039 0.000 0.240 74 N C 0.773 176.283 175.510 -0.000 0.000 1.307 74 N CA 0.502 53.556 53.050 0.006 0.000 0.859 74 N CB 1.031 39.519 38.487 0.002 0.000 1.260 74 N HN 0.089 nan 8.380 nan 0.000 0.501 75 G N 0.421 109.223 108.800 0.002 0.000 2.336 75 G HA2 -0.284 3.699 3.960 0.039 0.000 0.233 75 G HA3 -0.284 3.699 3.960 0.039 0.000 0.233 75 G C -0.463 174.426 174.900 -0.018 0.000 1.053 75 G CA 0.179 45.276 45.100 -0.004 0.000 0.625 75 G HN 0.470 nan 8.290 nan 0.000 0.511 76 D N 1.320 121.703 120.400 -0.027 0.000 2.533 76 D HA 0.435 5.098 4.640 0.039 0.000 0.236 76 D C 0.490 176.738 176.300 -0.086 0.000 1.137 76 D CA 1.014 54.983 54.000 -0.051 0.000 0.867 76 D CB 1.154 41.922 40.800 -0.053 0.000 1.170 76 D HN 0.253 nan 8.370 nan 0.000 0.474 77 S N 2.124 117.767 115.700 -0.095 0.000 2.489 77 S HA 0.418 4.912 4.470 0.039 0.000 0.277 77 S C -0.827 173.652 174.600 -0.201 0.000 1.230 77 S CA -0.800 57.314 58.200 -0.142 0.000 1.053 77 S CB 0.147 63.297 63.200 -0.082 0.000 0.955 77 S HN 0.211 nan 8.310 nan 0.000 0.488 78 L N 4.338 125.317 121.223 -0.407 0.000 2.346 78 L HA 0.599 4.962 4.340 0.039 0.000 0.274 78 L C 0.107 176.692 176.870 -0.475 0.000 1.007 78 L CA -0.052 54.497 54.840 -0.485 0.000 0.818 78 L CB 2.035 43.631 42.059 -0.772 0.000 1.284 78 L HN 0.623 nan 8.230 nan 0.000 0.424 79 T N 3.083 117.574 114.554 -0.105 0.000 2.879 79 T HA 0.504 4.878 4.350 0.039 0.000 0.290 79 T C -0.460 174.325 174.700 0.142 0.000 0.993 79 T CA -0.593 61.535 62.100 0.047 0.000 0.975 79 T CB 1.303 70.263 68.868 0.153 0.000 0.981 79 T HN 0.121 nan 8.240 nan 0.000 0.439 80 L N 3.940 125.232 121.223 0.115 0.000 2.540 80 L HA 0.198 4.561 4.340 0.039 0.000 0.276 80 L C 1.209 178.092 176.870 0.023 0.000 1.212 80 L CA 0.189 55.046 54.840 0.029 0.000 0.893 80 L CB 0.010 41.932 42.059 -0.229 0.000 1.138 80 L HN 0.601 nan 8.230 nan 0.000 0.491 81 R N 5.575 126.149 120.500 0.123 0.000 2.537 81 R HA 0.194 4.558 4.340 0.039 0.000 0.280 81 R C -2.083 174.175 176.300 -0.070 0.000 1.058 81 R CA -1.027 55.070 56.100 -0.005 0.000 1.057 81 R CB 0.055 30.516 30.300 0.268 0.000 0.973 81 R HN 0.440 nan 8.270 nan 0.000 0.438 82 P HA 0.004 nan 4.420 nan 0.000 0.252 82 P C -0.870 176.481 177.300 0.085 0.000 1.211 82 P CA 0.643 63.731 63.100 -0.020 0.000 0.824 82 P CB 0.503 32.164 31.700 -0.065 0.000 1.077 83 E N -2.463 117.785 120.200 0.081 0.000 2.437 83 E HA 0.576 4.949 4.350 0.039 0.000 0.280 83 E C 0.188 176.865 176.600 0.129 0.000 1.044 83 E CA -0.906 55.588 56.400 0.156 0.000 0.826 83 E CB 0.107 29.949 29.700 0.237 0.000 1.358 83 E HN -0.203 nan 8.360 nan 0.000 0.459 84 G N -0.534 108.301 108.800 0.059 0.000 2.944 84 G HA2 0.036 4.019 3.960 0.039 0.000 0.220 84 G HA3 0.036 4.019 3.960 0.039 0.000 0.220 84 G C 0.752 175.616 174.900 -0.060 0.000 1.100 84 G CA 0.586 45.568 45.100 -0.197 0.000 0.780 84 G HN 0.463 nan 8.290 nan 0.000 0.539 85 T N 1.736 116.368 114.554 0.131 0.000 2.788 85 T HA -0.002 4.371 4.350 0.039 0.000 0.268 85 T C 2.785 177.481 174.700 -0.007 0.000 1.044 85 T CA 1.351 63.495 62.100 0.074 0.000 1.139 85 T CB -0.165 68.604 68.868 -0.166 0.000 0.867 85 T HN 0.314 nan 8.240 nan 0.000 0.454 86 A N 1.679 124.507 122.820 0.013 0.000 1.877 86 A HA 0.105 4.448 4.320 0.039 0.000 0.216 86 A C 2.678 180.221 177.584 -0.068 0.000 1.186 86 A CA 1.824 53.840 52.037 -0.036 0.000 0.620 86 A CB -1.429 17.576 19.000 0.008 0.000 0.822 86 A HN 0.510 nan 8.150 nan 0.000 0.443 87 G N -1.318 107.455 108.800 -0.046 0.000 2.422 87 G HA2 -0.261 3.722 3.960 0.039 0.000 0.218 87 G HA3 -0.261 3.722 3.960 0.039 0.000 0.218 87 G C 1.723 176.618 174.900 -0.008 0.000 1.146 87 G CA 1.230 46.295 45.100 -0.059 0.000 0.769 87 G HN 0.589 nan 8.290 nan 0.000 0.547 88 C N -0.055 119.279 119.300 0.057 0.000 2.442 88 C HA -0.023 4.461 4.460 0.039 0.000 0.279 88 C C 3.045 178.110 174.990 0.126 0.000 1.237 88 C CA 1.249 60.370 59.018 0.172 0.000 1.722 88 C CB -0.982 26.984 27.740 0.376 0.000 2.056 88 C HN 0.254 nan 8.230 nan 0.000 0.469 89 V N 1.733 121.725 119.914 0.130 0.000 2.332 89 V HA -0.216 3.927 4.120 0.039 0.000 0.248 89 V C 2.835 178.881 176.094 -0.081 0.000 1.055 89 V CA 2.336 64.632 62.300 -0.008 0.000 1.038 89 V CB -0.970 30.887 31.823 0.057 0.000 0.651 89 V HN 0.545 nan 8.190 nan 0.000 0.450 90 R N 0.226 120.686 120.500 -0.067 0.000 2.091 90 R HA -0.190 4.173 4.340 0.039 0.000 0.238 90 R C 2.256 178.502 176.300 -0.089 0.000 1.136 90 R CA 1.888 57.930 56.100 -0.097 0.000 0.959 90 R CB -0.426 29.802 30.300 -0.119 0.000 0.856 90 R HN 0.501 nan 8.270 nan 0.000 0.437 91 A N -0.050 122.748 122.820 -0.038 0.000 1.969 91 A HA -0.017 4.327 4.320 0.039 0.000 0.218 91 A C 2.289 179.908 177.584 0.058 0.000 1.169 91 A CA 1.498 53.555 52.037 0.033 0.000 0.635 91 A CB -0.825 18.241 19.000 0.111 0.000 0.810 91 A HN 0.563 nan 8.150 nan 0.000 0.445 92 G N 0.363 109.139 108.800 -0.039 0.000 2.414 92 G HA2 -0.172 3.812 3.960 0.039 0.000 0.215 92 G HA3 -0.172 3.812 3.960 0.039 0.000 0.215 92 G C 1.516 176.354 174.900 -0.104 0.000 1.188 92 G CA 1.148 46.180 45.100 -0.113 0.000 0.783 92 G HN 0.470 nan 8.290 nan 0.000 0.537 93 I N 0.443 120.932 120.570 -0.135 0.000 2.179 93 I HA -0.139 4.054 4.170 0.039 0.000 0.242 93 I C 2.635 178.685 176.117 -0.111 0.000 1.088 93 I CA 1.460 62.690 61.300 -0.118 0.000 1.357 93 I CB -0.300 37.626 38.000 -0.123 0.000 1.051 93 I HN 0.252 nan 8.210 nan 0.000 0.409 94 E N 0.444 120.550 120.200 -0.156 0.000 2.153 94 E HA -0.241 4.133 4.350 0.039 0.000 0.194 94 E C 1.728 178.146 176.600 -0.302 0.000 0.988 94 E CA 1.401 57.650 56.400 -0.251 0.000 0.811 94 E CB 0.027 29.513 29.700 -0.357 0.000 0.746 94 E HN 0.640 nan 8.360 nan 0.000 0.466 95 H N -2.145 116.895 119.070 -0.049 0.000 2.575 95 H HA 0.221 4.801 4.556 0.039 0.000 0.267 95 H C 0.955 176.266 175.328 -0.028 0.000 0.966 95 H CA 0.324 56.350 56.048 -0.036 0.000 1.165 95 H CB 1.278 31.019 29.762 -0.034 0.000 1.433 95 H HN 0.317 nan 8.280 nan 0.000 0.544 96 G N 0.822 109.662 108.800 0.067 0.000 2.132 96 G HA2 -0.263 3.721 3.960 0.039 0.000 0.234 96 G HA3 -0.263 3.721 3.960 0.039 0.000 0.234 96 G C 0.894 175.819 174.900 0.042 0.000 0.989 96 G CA 0.414 45.545 45.100 0.051 0.000 0.676 96 G HN 0.354 nan 8.290 nan 0.000 0.522 97 L N -0.770 120.466 121.223 0.022 0.000 2.313 97 L HA 0.229 4.593 4.340 0.039 0.000 0.214 97 L C 2.575 179.427 176.870 -0.029 0.000 1.119 97 L CA 0.967 55.804 54.840 -0.005 0.000 0.809 97 L CB -0.245 41.803 42.059 -0.018 0.000 0.933 97 L HN 0.348 nan 8.230 nan 0.000 0.449 98 L N -2.273 118.918 121.223 -0.055 0.000 2.515 98 L HA 0.082 4.445 4.340 0.039 0.000 0.223 98 L C 0.683 177.587 176.870 0.057 0.000 1.079 98 L CA -0.295 54.501 54.840 -0.075 0.000 0.857 98 L CB -0.167 41.744 42.059 -0.248 0.000 1.050 98 L HN 0.026 nan 8.230 nan 0.000 0.476 99 Y N 2.788 123.051 120.300 -0.063 0.000 2.496 99 Y HA 0.045 4.619 4.550 0.039 0.000 0.334 99 Y C 0.841 176.727 175.900 -0.022 0.000 1.080 99 Y CA -0.608 57.469 58.100 -0.039 0.000 1.355 99 Y CB -0.558 37.881 38.460 -0.035 0.000 1.193 99 Y HN 0.213 nan 8.280 nan 0.000 0.523 100 N N 3.450 122.148 118.700 -0.003 0.000 2.721 100 N HA -0.277 4.487 4.740 0.039 0.000 0.249 100 N C -1.002 174.458 175.510 -0.084 0.000 1.072 100 N CA 1.106 54.063 53.050 -0.155 0.000 0.710 100 N CB -0.470 37.759 38.487 -0.430 0.000 0.993 100 N HN 0.761 nan 8.380 nan 0.000 0.547 101 Q N -0.274 119.519 119.800 -0.012 0.000 2.528 101 Q HA 0.469 4.833 4.340 0.039 0.000 0.289 101 Q C -1.006 175.013 176.000 0.032 0.000 1.091 101 Q CA -0.788 55.014 55.803 -0.001 0.000 0.797 101 Q CB 2.166 30.905 28.738 0.001 0.000 1.466 101 Q HN 0.244 nan 8.270 nan 0.000 0.436 102 E N 1.186 121.403 120.200 0.029 0.000 2.210 102 E HA 0.272 4.646 4.350 0.039 0.000 0.266 102 E C -1.347 175.281 176.600 0.046 0.000 0.883 102 E CA -0.525 55.900 56.400 0.042 0.000 0.761 102 E CB 1.137 30.843 29.700 0.012 0.000 1.156 102 E HN 0.279 nan 8.360 nan 0.000 0.412 103 Q N 3.034 122.888 119.800 0.089 0.000 2.372 103 Q HA 0.458 4.821 4.340 0.039 0.000 0.273 103 Q C -1.009 174.991 176.000 -0.001 0.000 1.078 103 Q CA -0.627 55.227 55.803 0.084 0.000 0.806 103 Q CB 2.318 31.186 28.738 0.218 0.000 1.332 103 Q HN 0.566 nan 8.270 nan 0.000 0.435 104 R N 2.309 122.732 120.500 -0.128 0.000 2.467 104 R HA 0.590 4.954 4.340 0.039 0.000 0.299 104 R C -0.532 175.629 176.300 -0.232 0.000 1.120 104 R CA -0.342 55.518 56.100 -0.399 0.000 0.940 104 R CB 1.099 30.913 30.300 -0.810 0.000 1.161 104 R HN 0.435 nan 8.270 nan 0.000 0.506 105 L N 2.589 123.800 121.223 -0.021 0.000 2.319 105 L HA 0.694 5.058 4.340 0.039 0.000 0.267 105 L C -0.387 176.629 176.870 0.244 0.000 1.011 105 L CA -1.025 53.881 54.840 0.109 0.000 0.818 105 L CB 1.690 43.821 42.059 0.120 0.000 1.316 105 L HN 0.550 nan 8.230 nan 0.000 0.432 106 W N 1.092 122.444 121.300 0.087 0.000 3.062 106 W HA 0.669 5.353 4.660 0.039 0.000 0.336 106 W C -2.244 174.296 176.519 0.036 0.000 1.224 106 W CA -1.049 56.266 57.345 -0.050 0.000 1.159 106 W CB 1.121 30.596 29.460 0.025 0.000 1.454 106 W HN 0.505 nan 8.180 nan 0.000 0.569 107 Y N 0.600 121.049 120.300 0.248 0.000 2.571 107 Y HA 0.835 5.410 4.550 0.042 0.000 0.341 107 Y C -1.836 174.237 175.900 0.287 0.000 1.076 107 Y CA -2.735 55.407 58.100 0.069 0.000 1.029 107 Y CB 1.474 39.962 38.460 0.047 0.000 1.308 107 Y HN 0.554 nan 8.280 nan 0.000 0.461 108 I N 1.675 122.531 120.570 0.478 0.000 2.569 108 I HA 0.898 5.092 4.170 0.039 0.000 0.290 108 I C -0.424 175.859 176.117 0.277 0.000 1.088 108 I CA -0.293 61.265 61.300 0.430 0.000 1.047 108 I CB 1.882 40.160 38.000 0.463 0.000 1.237 108 I HN 1.164 nan 8.210 nan 0.000 0.421 109 G N 5.960 114.900 108.800 0.234 0.000 2.317 109 G HA2 0.330 4.313 3.960 0.039 0.000 0.293 109 G HA3 0.330 4.313 3.960 0.039 0.000 0.293 109 G C -3.471 171.454 174.900 0.043 0.000 1.287 109 G CA -0.698 44.491 45.100 0.149 0.000 0.850 109 G HN 0.331 nan 8.290 nan 0.000 0.515 110 P HA 0.601 nan 4.420 nan 0.000 0.288 110 P C -0.523 176.406 177.300 -0.618 0.000 1.267 110 P CA -0.431 62.346 63.100 -0.538 0.000 0.815 110 P CB 1.121 32.437 31.700 -0.640 0.000 0.989 111 M N 2.121 121.116 119.600 -1.009 0.000 2.662 111 M HA 0.525 5.029 4.480 0.039 0.000 0.310 111 M C -0.821 174.824 176.300 -1.092 0.000 1.204 111 M CA -0.500 54.264 55.300 -0.895 0.000 0.891 111 M CB 1.086 33.043 32.600 -1.070 0.000 1.732 111 M HN 0.201 nan 8.290 nan 0.000 0.467 112 F N 0.845 120.642 119.950 -0.256 0.000 2.518 112 F HA 0.614 5.172 4.527 0.051 0.000 0.323 112 F C -0.072 175.888 175.800 0.267 0.000 1.129 112 F CA -0.593 57.388 58.000 -0.032 0.000 0.920 112 F CB 1.698 40.584 39.000 -0.191 0.000 1.160 112 F HN 0.379 nan 8.300 nan 0.000 0.440 113 R N 0.883 121.732 120.500 0.582 0.000 2.533 113 R HA 0.202 4.565 4.340 0.039 0.000 0.288 113 R C -1.382 175.189 176.300 0.452 0.000 1.039 113 R CA -1.101 55.299 56.100 0.499 0.000 0.909 113 R CB 1.841 32.372 30.300 0.384 0.000 1.195 113 R HN 0.682 nan 8.270 nan 0.000 0.438 114 H N 3.263 122.464 119.070 0.218 0.000 3.291 114 H HA 0.047 4.626 4.556 0.038 0.000 0.256 114 H C -0.471 174.870 175.328 0.022 0.000 1.315 114 H CA 0.529 56.573 56.048 -0.006 0.000 1.521 114 H CB 0.293 29.804 29.762 -0.418 0.000 1.621 114 H HN 0.528 nan 8.280 nan 0.000 0.498 115 E N 2.808 123.022 120.200 0.024 0.000 2.458 115 E HA 0.319 4.692 4.350 0.039 0.000 0.278 115 E C -0.865 175.726 176.600 -0.015 0.000 1.004 115 E CA -1.463 54.956 56.400 0.033 0.000 0.823 115 E CB 1.173 30.882 29.700 0.014 0.000 1.396 115 E HN 0.175 nan 8.360 nan 0.000 0.463 116 R N 1.388 121.879 120.500 -0.014 0.000 2.316 116 R HA 0.224 4.587 4.340 0.039 0.000 0.314 116 R C -2.306 173.956 176.300 -0.063 0.000 1.069 116 R CA -1.504 54.581 56.100 -0.026 0.000 0.959 116 R CB 0.036 30.327 30.300 -0.015 0.000 0.987 116 R HN 0.345 nan 8.270 nan 0.000 0.446 117 P HA -0.067 nan 4.420 nan 0.000 0.261 117 P C -0.483 176.740 177.300 -0.128 0.000 1.173 117 P CA 0.566 63.606 63.100 -0.099 0.000 0.760 117 P CB 0.646 32.324 31.700 -0.037 0.000 0.783 118 Q N 1.908 121.575 119.800 -0.223 0.000 3.078 118 Q HA 0.267 4.630 4.340 0.039 0.000 0.348 118 Q C 0.873 176.725 176.000 -0.246 0.000 0.861 118 Q CA -0.763 54.931 55.803 -0.183 0.000 0.822 118 Q CB 0.702 29.344 28.738 -0.160 0.000 1.395 118 Q HN 0.207 nan 8.270 nan 0.000 0.497 119 K N -0.112 120.193 120.400 -0.159 0.000 2.137 119 K HA 0.039 4.382 4.320 0.039 0.000 0.202 119 K C 1.580 178.091 176.600 -0.148 0.000 1.052 119 K CA 1.181 57.404 56.287 -0.107 0.000 0.961 119 K CB -0.189 32.295 32.500 -0.026 0.000 0.741 119 K HN 0.684 nan 8.250 nan 0.000 0.452 120 G N 0.665 109.362 108.800 -0.171 0.000 2.603 120 G HA2 -0.018 3.965 3.960 0.039 0.000 0.214 120 G HA3 -0.018 3.965 3.960 0.039 0.000 0.214 120 G C 0.290 175.006 174.900 -0.306 0.000 1.140 120 G CA -0.137 44.885 45.100 -0.129 0.000 0.800 120 G HN 0.104 nan 8.290 nan 0.000 0.533 121 R N -0.170 120.029 120.500 -0.503 0.000 2.393 121 R HA 0.589 4.953 4.340 0.039 0.000 0.310 121 R C -1.441 174.418 176.300 -0.734 0.000 0.968 121 R CA -0.444 55.366 56.100 -0.482 0.000 0.867 121 R CB 1.359 31.487 30.300 -0.287 0.000 1.124 121 R HN 0.238 nan 8.270 nan 0.000 0.450 122 Y N -0.028 120.267 120.300 -0.007 0.000 2.665 122 Y HA 0.413 4.986 4.550 0.038 0.000 0.336 122 Y C 1.391 177.348 175.900 0.095 0.000 1.085 122 Y CA -1.137 56.997 58.100 0.057 0.000 1.096 122 Y CB 1.416 39.945 38.460 0.115 0.000 1.301 122 Y HN 0.293 nan 8.280 nan 0.000 0.493 123 R N -0.316 120.348 120.500 0.274 0.000 2.175 123 R HA 0.070 4.434 4.340 0.039 0.000 0.202 123 R C -0.070 176.377 176.300 0.246 0.000 1.018 123 R CA 0.340 56.592 56.100 0.254 0.000 1.029 123 R CB 0.526 30.936 30.300 0.183 0.000 0.959 123 R HN 0.560 nan 8.270 nan 0.000 0.480 124 Q N 1.036 120.907 119.800 0.118 0.000 2.368 124 Q HA 0.258 4.622 4.340 0.039 0.000 0.263 124 Q C -1.423 174.512 176.000 -0.109 0.000 1.009 124 Q CA -0.563 55.091 55.803 -0.247 0.000 0.818 124 Q CB 0.899 29.468 28.738 -0.282 0.000 1.239 124 Q HN -0.029 nan 8.270 nan 0.000 0.464 125 F N 0.306 120.032 119.950 -0.372 0.000 2.654 125 F HA 0.678 5.228 4.527 0.038 0.000 0.334 125 F C -1.362 174.167 175.800 -0.451 0.000 1.078 125 F CA -1.149 56.740 58.000 -0.184 0.000 0.986 125 F CB 1.075 40.125 39.000 0.083 0.000 1.362 125 F HN 0.412 nan 8.300 nan 0.000 0.498 126 H N -0.387 118.763 119.070 0.133 0.000 2.600 126 H HA 0.558 5.138 4.556 0.040 0.000 0.357 126 H C -1.159 174.274 175.328 0.174 0.000 1.106 126 H CA -0.713 55.356 56.048 0.036 0.000 1.193 126 H CB 1.899 31.733 29.762 0.121 0.000 1.594 126 H HN 0.570 nan 8.280 nan 0.000 0.526 127 Q N 1.476 121.406 119.800 0.216 0.000 2.387 127 Q HA 0.433 4.796 4.340 0.039 0.000 0.273 127 Q C -1.327 174.879 176.000 0.343 0.000 1.089 127 Q CA -1.305 54.685 55.803 0.312 0.000 0.824 127 Q CB 3.173 32.116 28.738 0.342 0.000 1.367 127 Q HN 0.261 nan 8.270 nan 0.000 0.443 128 L N 1.117 122.529 121.223 0.316 0.000 2.333 128 L HA 0.823 5.186 4.340 0.039 0.000 0.280 128 L C -0.724 176.286 176.870 0.234 0.000 1.004 128 L CA 0.066 55.079 54.840 0.288 0.000 0.820 128 L CB 1.133 43.278 42.059 0.142 0.000 1.247 128 L HN 0.745 nan 8.230 nan 0.000 0.416 129 G N 3.481 112.253 108.800 -0.045 0.000 2.672 129 G HA2 0.641 4.624 3.960 0.039 0.000 0.292 129 G HA3 0.641 4.624 3.960 0.039 0.000 0.292 129 G C -1.766 172.694 174.900 -0.734 0.000 1.375 129 G CA -0.368 44.494 45.100 -0.397 0.000 0.890 129 G HN 0.710 nan 8.290 nan 0.000 0.476 130 C N 0.255 119.046 119.300 -0.848 0.000 2.563 130 C HA 0.839 5.323 4.460 0.039 0.000 0.314 130 C C -0.919 173.844 174.990 -0.378 0.000 1.199 130 C CA -0.881 57.789 59.018 -0.581 0.000 1.564 130 C CB 1.623 28.948 27.740 -0.691 0.000 2.173 130 C HN 0.664 nan 8.230 nan 0.000 0.485 131 E N 1.761 121.844 120.200 -0.194 0.000 2.241 131 E HA 0.508 4.882 4.350 0.039 0.000 0.263 131 E C -1.365 175.018 176.600 -0.361 0.000 0.882 131 E CA -0.349 55.889 56.400 -0.270 0.000 0.769 131 E CB 2.057 31.633 29.700 -0.206 0.000 1.185 131 E HN 0.384 nan 8.360 nan 0.000 0.415 132 V N 3.838 123.494 119.914 -0.429 0.000 2.448 132 V HA 0.513 4.657 4.120 0.039 0.000 0.295 132 V C -0.827 175.010 176.094 -0.428 0.000 1.025 132 V CA -0.667 61.446 62.300 -0.312 0.000 0.859 132 V CB 0.739 32.493 31.823 -0.115 0.000 0.988 132 V HN 0.463 nan 8.190 nan 0.000 0.431 133 F N 2.255 122.183 119.950 -0.036 0.000 2.507 133 F HA 0.775 5.325 4.527 0.038 0.000 0.325 133 F C 0.970 176.750 175.800 -0.034 0.000 1.116 133 F CA 0.111 58.083 58.000 -0.047 0.000 0.930 133 F CB 2.156 41.145 39.000 -0.019 0.000 1.146 133 F HN 0.686 nan 8.300 nan 0.000 0.447 134 G N 1.887 110.775 108.800 0.148 0.000 2.231 134 G HA2 -0.183 3.800 3.960 0.039 0.000 0.206 134 G HA3 -0.183 3.800 3.960 0.039 0.000 0.206 134 G C -0.608 174.323 174.900 0.051 0.000 0.996 134 G CA -0.627 44.527 45.100 0.089 0.000 0.645 134 G HN 0.523 nan 8.290 nan 0.000 0.498 135 L N 0.383 121.627 121.223 0.035 0.000 2.334 135 L HA 0.677 5.041 4.340 0.039 0.000 0.276 135 L C 1.126 178.020 176.870 0.040 0.000 1.014 135 L CA -0.510 54.347 54.840 0.029 0.000 0.815 135 L CB 1.943 44.013 42.059 0.018 0.000 1.268 135 L HN 0.242 nan 8.230 nan 0.000 0.428 136 Q N 1.549 121.382 119.800 0.056 0.000 2.606 136 Q HA 0.220 4.583 4.340 0.039 0.000 0.215 136 Q C 0.991 177.085 176.000 0.157 0.000 0.908 136 Q CA 0.432 56.290 55.803 0.092 0.000 0.908 136 Q CB 0.457 29.240 28.738 0.074 0.000 1.120 136 Q HN 0.844 nan 8.270 nan 0.000 0.628 137 G N 1.364 110.210 108.800 0.077 0.000 2.744 137 G HA2 0.034 4.017 3.960 0.039 0.000 0.257 137 G HA3 0.034 4.017 3.960 0.039 0.000 0.257 137 G C -1.820 172.982 174.900 -0.163 0.000 1.244 137 G CA -0.386 44.702 45.100 -0.020 0.000 0.916 137 G HN 0.330 nan 8.290 nan 0.000 0.564 138 P HA -0.045 nan 4.420 nan 0.000 0.229 138 P C 0.852 178.035 177.300 -0.194 0.000 1.160 138 P CA 1.274 64.099 63.100 -0.460 0.000 0.777 138 P CB 0.148 31.502 31.700 -0.577 0.000 0.814 139 D N 0.605 120.924 120.400 -0.134 0.000 2.144 139 D HA -0.185 4.479 4.640 0.039 0.000 0.199 139 D C 1.882 178.157 176.300 -0.042 0.000 0.984 139 D CA 0.748 54.700 54.000 -0.081 0.000 0.834 139 D CB -1.295 39.471 40.800 -0.056 0.000 0.955 139 D HN 0.150 nan 8.370 nan 0.000 0.465 140 I N 1.123 121.683 120.570 -0.016 0.000 2.546 140 I HA -0.151 4.042 4.170 0.039 0.000 0.255 140 I C 0.712 176.843 176.117 0.022 0.000 1.163 140 I CA 1.079 62.390 61.300 0.019 0.000 1.457 140 I CB -0.233 37.786 38.000 0.032 0.000 1.092 140 I HN -0.230 nan 8.210 nan 0.000 0.434 141 D N 0.939 121.344 120.400 0.008 0.000 2.144 141 D HA -0.088 4.576 4.640 0.039 0.000 0.200 141 D C 2.272 178.504 176.300 -0.113 0.000 0.978 141 D CA 1.379 55.379 54.000 -0.000 0.000 0.833 141 D CB -0.376 40.448 40.800 0.039 0.000 0.961 141 D HN 0.430 nan 8.370 nan 0.000 0.470 142 A N 0.693 123.441 122.820 -0.119 0.000 1.969 142 A HA -0.187 4.157 4.320 0.039 0.000 0.218 142 A C 2.078 179.600 177.584 -0.102 0.000 1.169 142 A CA 1.491 53.442 52.037 -0.143 0.000 0.635 142 A CB -0.579 18.343 19.000 -0.130 0.000 0.810 142 A HN 0.275 nan 8.150 nan 0.000 0.445 143 E N 0.095 120.267 120.200 -0.048 0.000 2.077 143 E HA -0.182 4.191 4.350 0.039 0.000 0.193 143 E C 1.839 178.374 176.600 -0.108 0.000 0.989 143 E CA 1.243 57.635 56.400 -0.013 0.000 0.800 143 E CB -0.239 29.503 29.700 0.071 0.000 0.746 143 E HN 0.620 nan 8.360 nan 0.000 0.452 144 L N 0.625 121.804 121.223 -0.074 0.000 2.093 144 L HA -0.145 4.218 4.340 0.039 0.000 0.208 144 L C 2.520 179.241 176.870 -0.249 0.000 1.085 144 L CA 0.811 55.605 54.840 -0.076 0.000 0.755 144 L CB -0.245 41.933 42.059 0.198 0.000 0.904 144 L HN 0.257 nan 8.230 nan 0.000 0.435 145 I N -0.937 119.466 120.570 -0.278 0.000 2.439 145 I HA -0.267 3.926 4.170 0.039 0.000 0.251 145 I C 2.498 178.511 176.117 -0.174 0.000 1.139 145 I CA 1.152 62.306 61.300 -0.244 0.000 1.438 145 I CB -0.112 37.693 38.000 -0.325 0.000 1.085 145 I HN 0.295 nan 8.210 nan 0.000 0.427 146 M N 0.157 119.644 119.600 -0.187 0.000 2.159 146 M HA -0.231 4.273 4.480 0.039 0.000 0.263 146 M C 2.365 178.469 176.300 -0.325 0.000 1.063 146 M CA 1.779 56.982 55.300 -0.161 0.000 1.110 146 M CB -0.161 32.406 32.600 -0.055 0.000 1.374 146 M HN 0.289 nan 8.290 nan 0.000 0.411 147 L N -0.061 120.806 121.223 -0.592 0.000 2.017 147 L HA -0.218 4.145 4.340 0.039 0.000 0.208 147 L C 2.596 178.738 176.870 -1.214 0.000 1.073 147 L CA 2.007 56.200 54.840 -1.078 0.000 0.745 147 L CB -0.480 40.779 42.059 -1.332 0.000 0.894 147 L HN 0.436 nan 8.230 nan 0.000 0.432 148 T N -2.749 111.135 114.554 -1.117 0.000 2.821 148 T HA -0.067 4.307 4.350 0.039 0.000 0.267 148 T C 1.891 175.686 174.700 -1.509 0.000 1.046 148 T CA 0.813 62.076 62.100 -1.394 0.000 1.139 148 T CB -0.644 67.496 68.868 -1.212 0.000 0.871 148 T HN 0.404 nan 8.240 nan 0.000 0.454 149 A N 1.887 124.152 122.820 -0.925 0.000 1.940 149 A HA -0.055 4.288 4.320 0.039 0.000 0.219 149 A C 2.518 179.833 177.584 -0.448 0.000 1.176 149 A CA 1.702 53.363 52.037 -0.628 0.000 0.631 149 A CB -0.803 18.094 19.000 -0.171 0.000 0.814 149 A HN 0.538 nan 8.150 nan 0.000 0.446 150 R N -1.504 118.756 120.500 -0.400 0.000 2.075 150 R HA -0.164 4.199 4.340 0.039 0.000 0.232 150 R C 1.948 178.163 176.300 -0.141 0.000 1.126 150 R CA 1.529 57.504 56.100 -0.207 0.000 0.963 150 R CB -0.284 29.933 30.300 -0.138 0.000 0.858 150 R HN 0.688 nan 8.270 nan 0.000 0.435 151 W N 0.165 121.183 121.300 -0.471 0.000 2.321 151 W HA -0.212 4.471 4.660 0.039 0.000 0.306 151 W C 1.915 178.317 176.519 -0.194 0.000 1.217 151 W CA 0.685 57.783 57.345 -0.411 0.000 1.257 151 W CB -1.311 27.745 29.460 -0.672 0.000 1.145 151 W HN 0.295 nan 8.180 nan 0.000 0.509 152 W N -0.187 121.110 121.300 -0.006 0.000 2.388 152 W HA -0.138 4.545 4.660 0.038 0.000 0.294 152 W C 2.499 178.997 176.519 -0.036 0.000 1.212 152 W CA 0.370 57.665 57.345 -0.084 0.000 1.271 152 W CB -0.778 28.571 29.460 -0.184 0.000 1.126 152 W HN -0.198 nan 8.180 nan 0.000 0.535 153 R N 0.534 121.127 120.500 0.155 0.000 2.073 153 R HA -0.119 4.244 4.340 0.039 0.000 0.234 153 R C 2.466 178.828 176.300 0.103 0.000 1.134 153 R CA 1.565 57.728 56.100 0.106 0.000 0.952 153 R CB -0.894 29.440 30.300 0.057 0.000 0.850 153 R HN 0.126 nan 8.270 nan 0.000 0.433 154 A N 0.784 123.665 122.820 0.102 0.000 1.933 154 A HA -0.101 4.242 4.320 0.039 0.000 0.218 154 A C 1.795 179.454 177.584 0.125 0.000 1.175 154 A CA 1.106 53.207 52.037 0.106 0.000 0.628 154 A CB -0.131 18.937 19.000 0.113 0.000 0.814 154 A HN 0.097 nan 8.150 nan 0.000 0.444 155 L N -1.170 120.122 121.223 0.114 0.000 2.592 155 L HA 0.216 4.579 4.340 0.039 0.000 0.227 155 L C 1.645 178.554 176.870 0.065 0.000 1.127 155 L CA 1.192 56.065 54.840 0.055 0.000 0.884 155 L CB -1.111 40.919 42.059 -0.049 0.000 1.065 155 L HN 0.669 nan 8.230 nan 0.000 0.457 156 G N 1.082 109.944 108.800 0.103 0.000 2.176 156 G HA2 -0.288 3.695 3.960 0.039 0.000 0.252 156 G HA3 -0.288 3.695 3.960 0.039 0.000 0.252 156 G C 0.908 175.854 174.900 0.077 0.000 1.024 156 G CA 0.630 45.787 45.100 0.095 0.000 0.755 156 G HN 0.548 nan 8.290 nan 0.000 0.507 157 I N -2.370 118.245 120.570 0.075 0.000 4.025 157 I HA 0.230 4.424 4.170 0.039 0.000 0.336 157 I C 2.039 178.197 176.117 0.067 0.000 1.390 157 I CA 0.666 61.985 61.300 0.033 0.000 1.099 157 I CB -0.067 37.860 38.000 -0.121 0.000 1.049 157 I HN 0.106 nan 8.210 nan 0.000 0.394 158 S N 1.580 117.358 115.700 0.131 0.000 2.381 158 S HA -0.217 4.277 4.470 0.039 0.000 0.230 158 S C 1.313 175.966 174.600 0.088 0.000 1.052 158 S CA 1.559 59.850 58.200 0.151 0.000 1.068 158 S CB -0.723 62.568 63.200 0.152 0.000 0.918 158 S HN 0.557 nan 8.310 nan 0.000 0.448 159 E N 1.233 121.458 120.200 0.041 0.000 2.424 159 E HA 0.087 4.460 4.350 0.039 0.000 0.237 159 E C -0.109 176.279 176.600 -0.352 0.000 1.381 159 E CA 0.148 56.487 56.400 -0.102 0.000 1.587 159 E CB -0.279 29.346 29.700 -0.125 0.000 1.398 159 E HN 0.662 nan 8.360 nan 0.000 0.439 160 H N -1.394 117.658 119.070 -0.030 0.000 3.427 160 H HA 0.160 4.739 4.556 0.039 0.000 0.262 160 H C -0.784 174.487 175.328 -0.095 0.000 1.148 160 H CA 0.049 56.059 56.048 -0.064 0.000 1.048 160 H CB 0.882 30.584 29.762 -0.100 0.000 2.325 160 H HN -0.046 nan 8.280 nan 0.000 0.768 161 V N 1.631 121.560 119.914 0.024 0.000 2.733 161 V HA 0.475 4.618 4.120 0.039 0.000 0.306 161 V C -0.791 175.472 176.094 0.282 0.000 1.084 161 V CA -0.214 62.114 62.300 0.046 0.000 0.905 161 V CB 2.305 33.901 31.823 -0.378 0.000 1.010 161 V HN 0.247 nan 8.190 nan 0.000 0.424 162 T N 6.705 121.416 114.554 0.262 0.000 2.885 162 T HA 0.647 5.021 4.350 0.039 0.000 0.285 162 T C -0.933 173.764 174.700 -0.005 0.000 1.019 162 T CA -0.412 61.776 62.100 0.146 0.000 1.010 162 T CB 1.655 70.557 68.868 0.056 0.000 1.022 162 T HN 0.600 nan 8.240 nan 0.000 0.466 163 L N 2.314 123.381 121.223 -0.259 0.000 2.305 163 L HA 0.522 4.886 4.340 0.039 0.000 0.284 163 L C -0.433 176.300 176.870 -0.228 0.000 1.013 163 L CA -0.193 54.291 54.840 -0.594 0.000 0.819 163 L CB 0.889 42.375 42.059 -0.955 0.000 1.227 163 L HN 0.609 nan 8.230 nan 0.000 0.417 164 E N 4.530 124.633 120.200 -0.161 0.000 2.179 164 E HA 0.586 4.959 4.350 0.039 0.000 0.275 164 E C -1.489 175.125 176.600 0.023 0.000 0.945 164 E CA -0.760 55.625 56.400 -0.026 0.000 0.792 164 E CB 2.466 32.161 29.700 -0.009 0.000 1.125 164 E HN 0.486 nan 8.360 nan 0.000 0.397 165 L N 2.888 124.172 121.223 0.101 0.000 2.393 165 L HA 0.648 5.011 4.340 0.039 0.000 0.260 165 L C -1.610 175.371 176.870 0.185 0.000 1.002 165 L CA -0.391 54.551 54.840 0.169 0.000 0.818 165 L CB 2.213 44.349 42.059 0.129 0.000 1.369 165 L HN 0.575 nan 8.230 nan 0.000 0.412 166 N N 0.623 119.397 118.700 0.123 0.000 3.265 166 N HA 0.396 5.159 4.740 0.039 0.000 0.235 166 N C -2.180 173.097 175.510 -0.388 0.000 1.343 166 N CA -0.313 52.611 53.050 -0.211 0.000 0.904 166 N CB 1.849 40.252 38.487 -0.139 0.000 1.492 166 N HN 0.595 nan 8.380 nan 0.000 0.504 167 S N 0.780 116.031 115.700 -0.749 0.000 2.475 167 S HA 0.574 5.068 4.470 0.039 0.000 0.298 167 S C 0.853 175.283 174.600 -0.283 0.000 1.119 167 S CA -0.769 57.157 58.200 -0.456 0.000 1.085 167 S CB 0.094 62.952 63.200 -0.570 0.000 1.028 167 S HN 0.499 nan 8.310 nan 0.000 0.489 168 I N 2.335 122.812 120.570 -0.154 0.000 3.914 168 I HA 0.546 4.739 4.170 0.039 0.000 0.333 168 I C 0.918 176.983 176.117 -0.086 0.000 1.449 168 I CA -0.195 61.028 61.300 -0.128 0.000 1.135 168 I CB -0.711 37.245 38.000 -0.074 0.000 1.073 168 I HN 0.827 nan 8.210 nan 0.000 0.401 169 G N 2.512 111.261 108.800 -0.085 0.000 2.566 169 G HA2 -0.300 3.684 3.960 0.039 0.000 0.280 169 G HA3 -0.300 3.684 3.960 0.039 0.000 0.280 169 G C -0.037 174.854 174.900 -0.014 0.000 1.225 169 G CA 0.382 45.450 45.100 -0.054 0.000 0.966 169 G HN 0.877 nan 8.290 nan 0.000 0.560 170 S N -1.120 114.581 115.700 0.000 0.000 2.786 170 S HA 0.750 5.243 4.470 0.039 0.000 0.307 170 S C 1.430 176.051 174.600 0.036 0.000 1.121 170 S CA -0.119 58.094 58.200 0.022 0.000 0.975 170 S CB 1.376 64.588 63.200 0.020 0.000 1.220 170 S HN 0.827 nan 8.310 nan 0.000 0.550 171 L N 0.972 122.222 121.223 0.045 0.000 1.989 171 L HA -0.061 4.303 4.340 0.039 0.000 0.211 171 L C 2.572 179.470 176.870 0.047 0.000 1.071 171 L CA 1.986 56.856 54.840 0.050 0.000 0.749 171 L CB -2.272 39.816 42.059 0.048 0.000 0.890 171 L HN 0.724 nan 8.230 nan 0.000 0.431 172 E N 0.285 120.509 120.200 0.040 0.000 2.049 172 E HA -0.205 4.169 4.350 0.039 0.000 0.198 172 E C 2.295 178.922 176.600 0.045 0.000 1.007 172 E CA 1.693 58.117 56.400 0.039 0.000 0.809 172 E CB -0.500 29.219 29.700 0.032 0.000 0.749 172 E HN 0.475 nan 8.360 nan 0.000 0.450 173 A N 0.496 123.339 122.820 0.038 0.000 1.930 173 A HA -0.157 4.186 4.320 0.039 0.000 0.217 173 A C 2.121 179.748 177.584 0.070 0.000 1.175 173 A CA 1.475 53.535 52.037 0.039 0.000 0.627 173 A CB -0.329 18.675 19.000 0.007 0.000 0.815 173 A HN 0.060 nan 8.150 nan 0.000 0.443 174 R N -0.735 119.806 120.500 0.069 0.000 2.066 174 R HA -0.065 4.298 4.340 0.039 0.000 0.232 174 R C 2.437 178.831 176.300 0.157 0.000 1.131 174 R CA 1.184 57.357 56.100 0.122 0.000 0.955 174 R CB -0.378 29.977 30.300 0.091 0.000 0.851 174 R HN 0.487 nan 8.270 nan 0.000 0.432 175 A N 1.007 123.885 122.820 0.097 0.000 2.024 175 A HA -0.163 4.180 4.320 0.039 0.000 0.220 175 A C 1.721 179.345 177.584 0.067 0.000 1.164 175 A CA 1.324 53.404 52.037 0.072 0.000 0.643 175 A CB -0.508 18.523 19.000 0.050 0.000 0.806 175 A HN 0.378 nan 8.150 nan 0.000 0.451 176 N N -1.898 116.853 118.700 0.085 0.000 2.250 176 N HA -0.059 4.705 4.740 0.039 0.000 0.181 176 N C 0.755 176.328 175.510 0.105 0.000 1.017 176 N CA 0.568 53.664 53.050 0.077 0.000 0.866 176 N CB -0.104 38.428 38.487 0.076 0.000 0.985 176 N HN 0.595 nan 8.380 nan 0.000 0.429 230 D N -2.962 117.437 120.400 -0.002 0.000 2.769 230 D HA 0.464 5.128 4.640 0.039 0.000 0.219 230 D C 0.208 176.524 176.300 0.027 0.000 1.245 230 D CA -0.148 53.861 54.000 0.014 0.000 0.801 230 D CB 0.991 41.799 40.800 0.014 0.000 1.598 230 D HN 0.046 nan 8.370 nan 0.000 0.485 231 E N 0.813 121.033 120.200 0.032 0.000 2.097 231 E HA -0.224 4.149 4.350 0.039 0.000 0.196 231 E C 1.228 177.861 176.600 0.055 0.000 1.000 231 E CA 1.356 57.781 56.400 0.042 0.000 0.804 231 E CB 0.048 29.770 29.700 0.037 0.000 0.740 231 E HN 0.669 nan 8.360 nan 0.000 0.454 232 E N -0.010 120.221 120.200 0.052 0.000 2.110 232 E HA -0.090 4.284 4.350 0.039 0.000 0.193 232 E C 1.999 178.654 176.600 0.091 0.000 0.988 232 E CA 1.034 57.474 56.400 0.067 0.000 0.804 232 E CB 0.038 29.771 29.700 0.054 0.000 0.745 232 E HN 0.083 nan 8.360 nan 0.000 0.458 233 S N 0.434 116.172 115.700 0.065 0.000 2.461 233 S HA -0.019 4.475 4.470 0.039 0.000 0.228 233 S C 1.786 176.467 174.600 0.135 0.000 1.005 233 S CA 0.396 58.639 58.200 0.071 0.000 0.942 233 S CB 0.071 63.273 63.200 0.004 0.000 0.776 233 S HN 0.095 nan 8.310 nan 0.000 0.514 234 R N 1.377 121.943 120.500 0.111 0.000 2.073 234 R HA 0.039 4.403 4.340 0.039 0.000 0.229 234 R C 2.151 178.549 176.300 0.163 0.000 1.120 234 R CA 1.080 57.263 56.100 0.139 0.000 0.967 234 R CB -0.152 30.200 30.300 0.088 0.000 0.862 234 R HN 0.176 nan 8.270 nan 0.000 0.436 235 E N -1.074 119.201 120.200 0.125 0.000 2.038 235 E HA -0.226 4.147 4.350 0.039 0.000 0.195 235 E C 1.730 178.405 176.600 0.125 0.000 1.000 235 E CA 1.875 58.336 56.400 0.102 0.000 0.803 235 E CB -0.268 29.480 29.700 0.080 0.000 0.750 235 E HN 0.464 nan 8.360 nan 0.000 0.448 236 H N -1.404 117.707 119.070 0.069 0.000 2.319 236 H HA -0.182 4.397 4.556 0.039 0.000 0.297 236 H C 1.864 177.239 175.328 0.079 0.000 1.097 236 H CA 1.858 57.945 56.048 0.065 0.000 1.285 236 H CB -0.220 29.591 29.762 0.082 0.000 1.368 236 H HN 0.214 nan 8.280 nan 0.000 0.495 237 F N 0.762 120.820 119.950 0.179 0.000 2.146 237 F HA -0.073 4.477 4.527 0.039 0.000 0.298 237 F C 2.481 178.280 175.800 -0.003 0.000 1.096 237 F CA 1.259 59.315 58.000 0.093 0.000 1.275 237 F CB -0.936 38.098 39.000 0.058 0.000 1.008 237 F HN 0.295 nan 8.300 nan 0.000 0.480 238 A N 0.250 123.065 122.820 -0.007 0.000 1.877 238 A HA -0.069 4.275 4.320 0.039 0.000 0.216 238 A C 2.547 180.029 177.584 -0.169 0.000 1.186 238 A CA 1.768 53.746 52.037 -0.099 0.000 0.620 238 A CB -1.803 17.204 19.000 0.012 0.000 0.822 238 A HN 0.485 nan 8.150 nan 0.000 0.443 239 G N -0.128 108.595 108.800 -0.130 0.000 2.476 239 G HA2 -0.219 3.765 3.960 0.039 0.000 0.218 239 G HA3 -0.219 3.765 3.960 0.039 0.000 0.218 239 G C 1.517 176.281 174.900 -0.227 0.000 1.164 239 G CA 1.348 46.356 45.100 -0.153 0.000 0.768 239 G HN 0.533 nan 8.290 nan 0.000 0.560 240 L N 0.597 121.635 121.223 -0.307 0.000 2.017 240 L HA -0.060 4.303 4.340 0.039 0.000 0.208 240 L C 2.790 179.385 176.870 -0.459 0.000 1.073 240 L CA 1.829 56.450 54.840 -0.366 0.000 0.745 240 L CB -0.868 40.970 42.059 -0.368 0.000 0.894 240 L HN 0.256 nan 8.230 nan 0.000 0.432 241 C N -0.092 118.842 119.300 -0.609 0.000 2.422 241 C HA -0.151 4.333 4.460 0.039 0.000 0.279 241 C C 2.807 177.653 174.990 -0.241 0.000 1.305 241 C CA 1.128 59.787 59.018 -0.599 0.000 1.757 241 C CB -1.039 26.365 27.740 -0.561 0.000 1.962 241 C HN 0.620 nan 8.230 nan 0.000 0.499 242 K N 0.367 120.659 120.400 -0.180 0.000 2.025 242 K HA -0.133 4.210 4.320 0.039 0.000 0.207 242 K C 1.904 178.451 176.600 -0.088 0.000 1.049 242 K CA 1.295 57.527 56.287 -0.093 0.000 0.933 242 K CB -0.228 32.221 32.500 -0.087 0.000 0.714 242 K HN 0.221 nan 8.250 nan 0.000 0.438 243 L N 1.260 122.406 121.223 -0.128 0.000 2.042 243 L HA -0.164 4.199 4.340 0.039 0.000 0.210 243 L C 2.373 179.191 176.870 -0.087 0.000 1.076 243 L CA 1.297 56.073 54.840 -0.106 0.000 0.749 243 L CB -1.104 40.878 42.059 -0.129 0.000 0.893 243 L HN 0.236 nan 8.230 nan 0.000 0.432 244 L N -0.675 120.477 121.223 -0.117 0.000 2.072 244 L HA -0.118 4.246 4.340 0.039 0.000 0.205 244 L C 2.584 179.480 176.870 0.043 0.000 1.079 244 L CA 1.312 56.118 54.840 -0.057 0.000 0.752 244 L CB -0.867 41.112 42.059 -0.132 0.000 0.906 244 L HN 0.345 nan 8.230 nan 0.000 0.436 245 E N -0.307 119.942 120.200 0.080 0.000 2.051 245 E HA -0.183 4.190 4.350 0.039 0.000 0.192 245 E C 1.899 178.515 176.600 0.027 0.000 0.991 245 E CA 1.463 57.911 56.400 0.080 0.000 0.799 245 E CB 0.114 29.858 29.700 0.074 0.000 0.748 245 E HN 0.419 nan 8.360 nan 0.000 0.449 246 S N -0.112 115.591 115.700 0.005 0.000 2.584 246 S HA -0.032 4.461 4.470 0.039 0.000 0.240 246 S C 1.347 175.944 174.600 -0.005 0.000 0.975 246 S CA 0.665 58.861 58.200 -0.006 0.000 0.949 246 S CB 0.126 63.315 63.200 -0.018 0.000 0.761 246 S HN 0.394 nan 8.310 nan 0.000 0.536 247 A N -0.057 122.764 122.820 0.002 0.000 2.419 247 A HA 0.600 4.944 4.320 0.039 0.000 0.233 247 A C 1.461 179.057 177.584 0.019 0.000 1.217 247 A CA 0.419 52.459 52.037 0.004 0.000 0.944 247 A CB -0.152 18.847 19.000 -0.002 0.000 1.025 247 A HN 0.797 nan 8.150 nan 0.000 0.524 248 G N -0.121 108.695 108.800 0.028 0.000 2.147 248 G HA2 -0.213 3.770 3.960 0.039 0.000 0.244 248 G HA3 -0.213 3.770 3.960 0.039 0.000 0.244 248 G C 0.025 174.960 174.900 0.058 0.000 1.005 248 G CA 0.272 45.392 45.100 0.033 0.000 0.713 248 G HN 0.480 nan 8.290 nan 0.000 0.515 249 I N 1.644 122.262 120.570 0.081 0.000 2.363 249 I HA 0.468 4.661 4.170 0.039 0.000 0.292 249 I C 1.107 177.308 176.117 0.141 0.000 1.075 249 I CA -0.067 61.308 61.300 0.125 0.000 1.333 249 I CB 1.168 39.239 38.000 0.119 0.000 1.415 249 I HN 0.325 nan 8.210 nan 0.000 0.502 250 A N 7.900 130.779 122.820 0.098 0.000 2.454 250 A HA 0.451 4.794 4.320 0.039 0.000 0.260 250 A C -0.652 176.949 177.584 0.027 0.000 1.106 250 A CA 0.034 52.078 52.037 0.011 0.000 0.780 250 A CB -0.080 18.916 19.000 -0.006 0.000 1.044 250 A HN 0.699 nan 8.150 nan 0.000 0.498 251 Y N -0.504 119.750 120.300 -0.077 0.000 2.605 251 Y HA 0.825 5.398 4.550 0.039 0.000 0.343 251 Y C -0.309 175.549 175.900 -0.069 0.000 1.036 251 Y CA -1.146 56.885 58.100 -0.115 0.000 1.065 251 Y CB 1.094 39.469 38.460 -0.141 0.000 1.288 251 Y HN 0.377 nan 8.280 nan 0.000 0.481 252 T N 1.990 116.606 114.554 0.102 0.000 2.812 252 T HA 0.498 4.872 4.350 0.039 0.000 0.282 252 T C -0.984 173.834 174.700 0.195 0.000 0.990 252 T CA -0.773 61.360 62.100 0.055 0.000 0.960 252 T CB 1.323 70.197 68.868 0.011 0.000 0.948 252 T HN 0.611 nan 8.240 nan 0.000 0.438 253 V N 4.038 124.078 119.914 0.210 0.000 2.389 253 V HA 0.380 4.524 4.120 0.039 0.000 0.264 253 V C 0.292 176.450 176.094 0.106 0.000 1.049 253 V CA -0.838 61.607 62.300 0.241 0.000 0.932 253 V CB 0.148 32.147 31.823 0.293 0.000 1.011 253 V HN 0.853 nan 8.190 nan 0.000 0.475 254 N N 4.244 122.984 118.700 0.067 0.000 2.476 254 N HA 0.248 5.011 4.740 0.039 0.000 0.257 254 N C 0.613 176.113 175.510 -0.016 0.000 0.970 254 N CA -0.430 52.632 53.050 0.020 0.000 0.938 254 N CB 1.747 40.242 38.487 0.014 0.000 1.144 254 N HN 0.598 nan 8.380 nan 0.000 0.500 255 Q N 1.800 121.584 119.800 -0.027 0.000 2.369 255 Q HA 0.054 4.417 4.340 0.039 0.000 0.206 255 Q C 0.650 176.609 176.000 -0.067 0.000 0.963 255 Q CA 0.839 56.603 55.803 -0.065 0.000 0.894 255 Q CB 0.284 28.989 28.738 -0.054 0.000 0.965 255 Q HN 0.492 nan 8.270 nan 0.000 0.475 256 R N 0.109 120.587 120.500 -0.037 0.000 2.310 256 R HA 0.162 4.525 4.340 0.039 0.000 0.202 256 R C 0.253 176.532 176.300 -0.035 0.000 0.933 256 R CA 0.007 56.091 56.100 -0.027 0.000 1.054 256 R CB 0.317 30.613 30.300 -0.007 0.000 0.985 256 R HN 0.111 nan 8.270 nan 0.000 0.489 257 L N 1.882 123.077 121.223 -0.047 0.000 2.433 257 L HA 0.195 4.559 4.340 0.039 0.000 0.284 257 L C -0.944 175.881 176.870 -0.074 0.000 1.120 257 L CA -0.108 54.701 54.840 -0.051 0.000 0.879 257 L CB 0.416 42.449 42.059 -0.044 0.000 1.232 257 L HN -0.088 nan 8.230 nan 0.000 0.454 258 V N 5.207 125.083 119.914 -0.063 0.000 2.864 258 V HA 0.544 4.687 4.120 0.039 0.000 0.314 258 V C 0.255 176.304 176.094 -0.075 0.000 1.073 258 V CA -0.971 61.289 62.300 -0.068 0.000 0.956 258 V CB 2.284 34.088 31.823 -0.032 0.000 1.023 258 V HN 0.669 nan 8.190 nan 0.000 0.435 259 R N 1.462 121.898 120.500 -0.106 0.000 2.553 259 R HA 0.435 4.799 4.340 0.039 0.000 0.263 259 R C 1.032 177.330 176.300 -0.003 0.000 1.066 259 R CA -0.080 55.955 56.100 -0.108 0.000 1.135 259 R CB 0.799 30.897 30.300 -0.337 0.000 1.148 259 R HN 0.933 nan 8.270 nan 0.000 0.558 260 G N 0.916 109.727 108.800 0.018 0.000 3.262 260 G HA2 0.165 4.148 3.960 0.039 0.000 0.228 260 G HA3 0.165 4.148 3.960 0.039 0.000 0.228 260 G C 0.016 174.919 174.900 0.004 0.000 1.197 260 G CA 0.061 45.170 45.100 0.017 0.000 0.819 260 G HN 0.079 nan 8.290 nan 0.000 0.531 261 L N 0.015 121.237 121.223 -0.001 0.000 2.401 261 L HA 0.454 4.817 4.340 0.039 0.000 0.266 261 L C -1.135 175.602 176.870 -0.222 0.000 0.991 261 L CA -0.659 54.061 54.840 -0.200 0.000 0.818 261 L CB 2.085 43.808 42.059 -0.560 0.000 1.321 261 L HN -0.136 nan 8.230 nan 0.000 0.413 262 D N 2.067 122.337 120.400 -0.217 0.000 3.163 262 D HA 0.184 4.847 4.640 0.039 0.000 0.284 262 D C 0.527 176.818 176.300 -0.014 0.000 1.368 262 D CA 0.117 54.079 54.000 -0.063 0.000 0.895 262 D CB 0.256 41.059 40.800 0.005 0.000 1.061 262 D HN 0.506 nan 8.370 nan 0.000 0.496 263 Y N -2.345 117.916 120.300 -0.065 0.000 2.471 263 Y HA 0.316 4.888 4.550 0.038 0.000 0.249 263 Y C -0.048 175.847 175.900 -0.010 0.000 1.116 263 Y CA -1.041 57.010 58.100 -0.082 0.000 1.240 263 Y CB -0.981 37.370 38.460 -0.181 0.000 1.251 263 Y HN -0.224 nan 8.280 nan 0.000 0.527 264 Y N 4.123 124.650 120.300 0.378 0.000 2.397 264 Y HA 0.177 4.751 4.550 0.039 0.000 0.335 264 Y C 1.442 177.459 175.900 0.194 0.000 1.213 264 Y CA 0.294 58.589 58.100 0.326 0.000 1.391 264 Y CB 0.636 39.212 38.460 0.193 0.000 1.293 264 Y HN 0.306 nan 8.280 nan 0.000 0.557 265 N N 1.057 119.964 118.700 0.346 0.000 3.502 265 N HA 0.127 4.890 4.740 0.039 0.000 0.226 265 N C 1.096 176.663 175.510 0.095 0.000 1.133 265 N CA -0.018 53.138 53.050 0.175 0.000 1.143 265 N CB 0.258 38.818 38.487 0.122 0.000 1.346 265 N HN 0.443 nan 8.380 nan 0.000 0.720 266 R N 0.749 121.274 120.500 0.041 0.000 2.040 266 R HA 0.232 4.596 4.340 0.039 0.000 0.219 266 R C 0.310 176.637 176.300 0.045 0.000 1.216 266 R CA 1.042 57.123 56.100 -0.031 0.000 0.952 266 R CB -0.811 29.357 30.300 -0.221 0.000 0.833 266 R HN 0.209 nan 8.270 nan 0.000 0.456 267 T N 1.657 116.293 114.554 0.138 0.000 2.888 267 T HA 0.252 4.626 4.350 0.039 0.000 0.301 267 T C -0.476 174.361 174.700 0.227 0.000 1.001 267 T CA 0.054 62.312 62.100 0.264 0.000 1.147 267 T CB 1.183 70.266 68.868 0.359 0.000 0.931 267 T HN -0.107 nan 8.240 nan 0.000 0.541 268 V N 5.187 125.208 119.914 0.179 0.000 2.686 268 V HA 0.800 4.943 4.120 0.039 0.000 0.306 268 V C -1.162 175.024 176.094 0.152 0.000 1.065 268 V CA -0.850 61.460 62.300 0.018 0.000 0.894 268 V CB 1.501 33.252 31.823 -0.119 0.000 1.004 268 V HN 0.862 nan 8.190 nan 0.000 0.424 269 F N 2.460 122.372 119.950 -0.062 0.000 2.668 269 F HA 0.878 5.429 4.527 0.040 0.000 0.309 269 F C -0.872 174.904 175.800 -0.041 0.000 1.117 269 F CA -0.915 57.049 58.000 -0.059 0.000 0.951 269 F CB 1.802 40.763 39.000 -0.065 0.000 1.323 269 F HN 0.390 nan 8.300 nan 0.000 0.451 270 E N 1.053 121.299 120.200 0.076 0.000 2.321 270 E HA 0.259 4.632 4.350 0.039 0.000 0.278 270 E C -2.324 174.329 176.600 0.090 0.000 0.902 270 E CA -0.574 55.864 56.400 0.064 0.000 0.758 270 E CB 2.164 31.876 29.700 0.020 0.000 1.213 270 E HN 0.694 nan 8.360 nan 0.000 0.426 271 W N 2.718 124.135 121.300 0.195 0.000 2.314 271 W HA 0.493 5.176 4.660 0.038 0.000 0.310 271 W C -0.545 176.013 176.519 0.066 0.000 1.075 271 W CA -0.406 57.051 57.345 0.187 0.000 1.253 271 W CB 1.298 30.960 29.460 0.337 0.000 1.238 271 W HN 0.137 nan 8.180 nan 0.000 0.440 272 V N 3.767 123.819 119.914 0.231 0.000 2.680 272 V HA 0.619 4.763 4.120 0.039 0.000 0.309 272 V C -0.193 175.941 176.094 0.066 0.000 1.052 272 V CA -0.497 61.867 62.300 0.107 0.000 0.908 272 V CB 2.331 34.192 31.823 0.064 0.000 1.001 272 V HN 0.441 nan 8.190 nan 0.000 0.431 273 T N 3.917 118.481 114.554 0.017 0.000 2.942 273 T HA 0.602 4.976 4.350 0.039 0.000 0.289 273 T C -0.491 174.215 174.700 0.009 0.000 1.044 273 T CA -0.682 61.417 62.100 -0.001 0.000 1.023 273 T CB 1.283 70.116 68.868 -0.059 0.000 1.123 273 T HN 0.898 nan 8.240 nan 0.000 0.512 280 G N 0.258 109.048 108.800 -0.017 0.000 5.452 280 G HA2 -0.340 3.643 3.960 0.039 0.000 0.310 280 G HA3 -0.340 3.643 3.960 0.039 0.000 0.310 280 G C 0.190 175.095 174.900 0.009 0.000 1.392 280 G CA 0.335 45.432 45.100 -0.006 0.000 0.942 280 G HN 0.450 nan 8.290 nan 0.000 0.776 281 T N 1.845 116.410 114.554 0.019 0.000 2.779 281 T HA 0.463 4.837 4.350 0.039 0.000 0.296 281 T C 1.398 176.135 174.700 0.062 0.000 0.938 281 T CA 0.327 62.459 62.100 0.052 0.000 1.119 281 T CB 1.930 70.826 68.868 0.047 0.000 0.891 281 T HN 0.492 nan 8.240 nan 0.000 0.526 282 V N 1.997 121.960 119.914 0.081 0.000 2.825 282 V HA 0.140 4.284 4.120 0.039 0.000 0.246 282 V C 0.999 177.201 176.094 0.180 0.000 1.068 282 V CA 0.308 62.647 62.300 0.065 0.000 1.088 282 V CB 0.494 32.271 31.823 -0.077 0.000 0.733 282 V HN 0.975 nan 8.190 nan 0.000 0.468 283 C N 0.253 119.722 119.300 0.280 0.000 2.782 283 C HA 0.844 5.328 4.460 0.039 0.000 0.328 283 C C -0.524 174.657 174.990 0.318 0.000 1.145 283 C CA -0.095 59.148 59.018 0.375 0.000 1.358 283 C CB 0.606 28.658 27.740 0.519 0.000 1.841 283 C HN 0.493 nan 8.230 nan 0.000 0.477 284 A N 3.560 126.524 122.820 0.240 0.000 2.549 284 A HA 1.028 5.371 4.320 0.039 0.000 0.297 284 A C -0.289 177.262 177.584 -0.055 0.000 1.061 284 A CA 0.305 52.367 52.037 0.041 0.000 0.690 284 A CB 1.536 20.569 19.000 0.054 0.000 1.287 284 A HN 2.284 nan 8.150 nan 0.000 0.402 285 G N -1.031 107.471 108.800 -0.496 0.000 2.489 285 G HA2 0.910 4.893 3.960 0.039 0.000 0.305 285 G HA3 0.910 4.893 3.960 0.039 0.000 0.305 285 G C -0.320 174.234 174.900 -0.577 0.000 1.311 285 G CA 0.256 45.132 45.100 -0.374 0.000 0.813 285 G HN 2.264 nan 8.290 nan 0.000 0.480 286 G N -1.361 107.469 108.800 0.050 0.000 2.321 286 G HA2 0.538 4.521 3.960 0.039 0.000 0.296 286 G HA3 0.538 4.521 3.960 0.039 0.000 0.296 286 G C -1.411 173.854 174.900 0.609 0.000 1.287 286 G CA -0.916 44.316 45.100 0.220 0.000 0.846 286 G HN 0.582 nan 8.290 nan 0.000 0.508 287 R N -0.821 120.000 120.500 0.534 0.000 2.532 287 R HA 0.567 4.930 4.340 0.039 0.000 0.272 287 R C -1.006 175.620 176.300 0.543 0.000 1.032 287 R CA -0.555 55.793 56.100 0.414 0.000 1.089 287 R CB 1.112 31.539 30.300 0.211 0.000 1.098 287 R HN 0.766 nan 8.270 nan 0.000 0.526 288 Y N -1.328 119.081 120.300 0.181 0.000 2.640 288 Y HA 0.278 4.853 4.550 0.040 0.000 0.295 288 Y C -0.497 175.443 175.900 0.067 0.000 1.023 288 Y CA -0.947 57.214 58.100 0.102 0.000 1.163 288 Y CB -0.036 38.362 38.460 -0.104 0.000 1.145 288 Y HN 0.450 nan 8.280 nan 0.000 0.609 289 D N 1.430 121.859 120.400 0.049 0.000 2.309 289 D HA -0.051 4.612 4.640 0.039 0.000 0.212 289 D C 1.888 178.220 176.300 0.052 0.000 0.968 289 D CA 1.754 55.759 54.000 0.009 0.000 0.882 289 D CB 0.119 40.931 40.800 0.020 0.000 0.918 289 D HN 0.854 nan 8.370 nan 0.000 0.503 290 G N -0.041 108.817 108.800 0.096 0.000 2.762 290 G HA2 -0.050 3.933 3.960 0.039 0.000 0.209 290 G HA3 -0.050 3.933 3.960 0.039 0.000 0.209 290 G C 1.452 176.409 174.900 0.095 0.000 1.134 290 G CA -0.192 44.959 45.100 0.086 0.000 0.781 290 G HN 0.190 nan 8.290 nan 0.000 0.528 291 L N 1.255 122.565 121.223 0.146 0.000 2.079 291 L HA -0.029 4.335 4.340 0.039 0.000 0.210 291 L C 2.722 179.638 176.870 0.076 0.000 1.081 291 L CA 1.416 56.324 54.840 0.114 0.000 0.752 291 L CB -0.284 41.832 42.059 0.095 0.000 0.896 291 L HN 0.058 nan 8.230 nan 0.000 0.433 292 V N 0.430 120.397 119.914 0.088 0.000 2.407 292 V HA -0.293 3.850 4.120 0.039 0.000 0.248 292 V C 2.565 178.650 176.094 -0.015 0.000 1.055 292 V CA 1.960 64.272 62.300 0.020 0.000 1.049 292 V CB -0.892 30.930 31.823 -0.003 0.000 0.662 292 V HN 0.753 nan 8.190 nan 0.000 0.455 293 E N 0.134 120.332 120.200 -0.003 0.000 2.112 293 E HA -0.278 4.096 4.350 0.039 0.000 0.190 293 E C 2.197 178.787 176.600 -0.017 0.000 0.979 293 E CA 1.272 57.659 56.400 -0.022 0.000 0.814 293 E CB -0.370 29.322 29.700 -0.013 0.000 0.762 293 E HN 0.641 nan 8.360 nan 0.000 0.460 294 Q N -0.065 119.737 119.800 0.004 0.000 2.096 294 Q HA -0.123 4.240 4.340 0.039 0.000 0.204 294 Q C 1.274 177.267 176.000 -0.012 0.000 0.982 294 Q CA 1.134 56.940 55.803 0.006 0.000 0.850 294 Q CB 0.106 28.862 28.738 0.030 0.000 0.901 294 Q HN 0.294 nan 8.270 nan 0.000 0.422 295 L N -0.624 120.586 121.223 -0.023 0.000 2.645 295 L HA 0.212 4.575 4.340 0.039 0.000 0.234 295 L C 1.103 177.937 176.870 -0.061 0.000 1.165 295 L CA 1.306 56.119 54.840 -0.046 0.000 0.944 295 L CB 0.155 42.180 42.059 -0.056 0.000 1.149 295 L HN 0.417 nan 8.230 nan 0.000 0.446 296 G N -2.140 106.625 108.800 -0.057 0.000 2.184 296 G HA2 -0.153 3.830 3.960 0.039 0.000 0.206 296 G HA3 -0.153 3.830 3.960 0.039 0.000 0.206 296 G C 0.607 175.454 174.900 -0.089 0.000 0.995 296 G CA -0.230 44.828 45.100 -0.070 0.000 0.651 296 G HN 0.640 nan 8.290 nan 0.000 0.511 297 G N -0.757 107.987 108.800 -0.094 0.000 2.753 297 G HA2 0.668 4.651 3.960 0.039 0.000 0.285 297 G HA3 0.668 4.651 3.960 0.039 0.000 0.285 297 G C -0.006 174.808 174.900 -0.143 0.000 1.344 297 G CA -0.858 44.166 45.100 -0.127 0.000 1.050 297 G HN 0.350 nan 8.290 nan 0.000 0.532 298 R N -0.731 119.645 120.500 -0.207 0.000 2.560 298 R HA 0.492 4.856 4.340 0.039 0.000 0.270 298 R C 0.278 176.529 176.300 -0.082 0.000 1.074 298 R CA -0.315 55.664 56.100 -0.202 0.000 1.140 298 R CB 1.170 31.214 30.300 -0.428 0.000 1.073 298 R HN 0.547 nan 8.270 nan 0.000 0.527 299 A N 1.467 124.265 122.820 -0.037 0.000 2.488 299 A HA 0.276 4.620 4.320 0.039 0.000 0.249 299 A C -0.399 177.208 177.584 0.039 0.000 1.083 299 A CA 0.362 52.404 52.037 0.007 0.000 0.768 299 A CB 0.258 19.268 19.000 0.016 0.000 1.017 299 A HN 0.630 nan 8.150 nan 0.000 0.496 300 T N 4.438 119.019 114.554 0.044 0.000 2.993 300 T HA 0.548 4.921 4.350 0.039 0.000 0.312 300 T C -2.980 171.753 174.700 0.057 0.000 1.115 300 T CA -0.760 61.380 62.100 0.067 0.000 1.027 300 T CB 1.790 70.703 68.868 0.074 0.000 1.116 300 T HN 0.428 nan 8.240 nan 0.000 0.464 301 P HA 0.644 nan 4.420 nan 0.000 0.274 301 P C -1.308 175.968 177.300 -0.040 0.000 1.231 301 P CA -0.419 62.684 63.100 0.005 0.000 0.790 301 P CB 0.618 32.333 31.700 0.024 0.000 0.951 302 A N 1.179 123.866 122.820 -0.222 0.000 2.589 302 A HA 0.702 5.045 4.320 0.039 0.000 0.296 302 A C -1.468 175.718 177.584 -0.664 0.000 1.062 302 A CA -0.490 51.245 52.037 -0.503 0.000 0.686 302 A CB 1.171 19.725 19.000 -0.742 0.000 1.282 302 A HN 0.271 nan 8.150 nan 0.000 0.404 303 V N -0.516 119.116 119.914 -0.471 0.000 3.087 303 V HA 1.007 5.150 4.120 0.039 0.000 0.306 303 V C 0.338 176.500 176.094 0.114 0.000 1.187 303 V CA -0.008 62.268 62.300 -0.040 0.000 0.999 303 V CB 1.464 33.356 31.823 0.115 0.000 1.049 303 V HN 2.211 nan 8.190 nan 0.000 0.431 304 G N 1.127 110.157 108.800 0.384 0.000 2.430 304 G HA2 0.837 4.821 3.960 0.039 0.000 0.300 304 G HA3 0.837 4.821 3.960 0.039 0.000 0.300 304 G C -1.785 173.365 174.900 0.416 0.000 1.330 304 G CA 0.008 45.275 45.100 0.279 0.000 0.813 304 G HN 1.710 nan 8.290 nan 0.000 0.487 305 F N -2.370 117.730 119.950 0.251 0.000 2.779 305 F HA 0.945 5.495 4.527 0.039 0.000 0.316 305 F C -0.489 175.441 175.800 0.217 0.000 1.164 305 F CA -1.188 56.938 58.000 0.210 0.000 0.924 305 F CB 1.302 40.463 39.000 0.268 0.000 1.348 305 F HN 1.428 nan 8.300 nan 0.000 0.467 306 A N 1.953 125.102 122.820 0.548 0.000 2.572 306 A HA 0.824 5.168 4.320 0.039 0.000 0.295 306 A C -1.719 176.175 177.584 0.516 0.000 1.072 306 A CA -0.641 51.676 52.037 0.467 0.000 0.691 306 A CB 2.061 21.306 19.000 0.408 0.000 1.291 306 A HN 1.237 nan 8.150 nan 0.000 0.404 307 M N 1.745 121.619 119.600 0.456 0.000 2.457 307 M HA 0.646 5.149 4.480 0.039 0.000 0.300 307 M C -0.135 176.343 176.300 0.297 0.000 1.141 307 M CA -0.394 55.128 55.300 0.371 0.000 0.901 307 M CB 2.025 34.843 32.600 0.365 0.000 1.687 307 M HN 0.963 nan 8.290 nan 0.000 0.449 308 G N 4.314 113.264 108.800 0.250 0.000 2.448 308 G HA2 0.388 4.371 3.960 0.039 0.000 0.309 308 G HA3 0.388 4.371 3.960 0.039 0.000 0.309 308 G C 0.439 175.437 174.900 0.163 0.000 1.027 308 G CA -0.503 44.753 45.100 0.259 0.000 1.104 308 G HN 0.920 nan 8.290 nan 0.000 0.428 309 L N 1.715 123.045 121.223 0.178 0.000 2.191 309 L HA -0.112 4.251 4.340 0.039 0.000 0.212 309 L C 2.637 179.449 176.870 -0.097 0.000 1.103 309 L CA 1.031 55.867 54.840 -0.006 0.000 0.769 309 L CB -0.001 42.101 42.059 0.071 0.000 0.908 309 L HN 0.479 nan 8.230 nan 0.000 0.438 310 E N -0.282 120.030 120.200 0.187 0.000 2.107 310 E HA -0.148 4.226 4.350 0.039 0.000 0.191 310 E C 2.292 178.939 176.600 0.078 0.000 0.982 310 E CA 0.878 57.406 56.400 0.212 0.000 0.809 310 E CB 0.053 29.992 29.700 0.398 0.000 0.756 310 E HN 0.334 nan 8.360 nan 0.000 0.459 311 R N -0.131 120.415 120.500 0.076 0.000 2.090 311 R HA -0.047 4.316 4.340 0.039 0.000 0.228 311 R C 2.203 178.442 176.300 -0.101 0.000 1.110 311 R CA 0.591 56.698 56.100 0.012 0.000 0.973 311 R CB -0.265 30.052 30.300 0.028 0.000 0.869 311 R HN 0.118 nan 8.270 nan 0.000 0.440 312 L N 0.722 121.853 121.223 -0.152 0.000 1.994 312 L HA -0.131 4.232 4.340 0.039 0.000 0.208 312 L C 2.076 178.745 176.870 -0.335 0.000 1.071 312 L CA 1.603 56.293 54.840 -0.249 0.000 0.745 312 L CB -0.408 41.498 42.059 -0.254 0.000 0.892 312 L HN -0.113 nan 8.230 nan 0.000 0.431 313 V N -0.571 119.074 119.914 -0.449 0.000 2.392 313 V HA -0.277 3.866 4.120 0.039 0.000 0.249 313 V C 2.516 178.423 176.094 -0.311 0.000 1.059 313 V CA 1.531 63.507 62.300 -0.539 0.000 1.051 313 V CB -0.661 30.618 31.823 -0.906 0.000 0.658 313 V HN 0.390 nan 8.190 nan 0.000 0.455 314 L N -0.785 120.325 121.223 -0.188 0.000 2.093 314 L HA -0.084 4.279 4.340 0.039 0.000 0.208 314 L C 2.114 178.902 176.870 -0.136 0.000 1.085 314 L CA 1.720 56.502 54.840 -0.096 0.000 0.755 314 L CB -0.677 41.371 42.059 -0.017 0.000 0.904 314 L HN 0.324 nan 8.230 nan 0.000 0.435 315 L N -1.837 119.276 121.223 -0.183 0.000 2.095 315 L HA -0.063 4.300 4.340 0.039 0.000 0.204 315 L C 2.295 179.020 176.870 -0.243 0.000 1.080 315 L CA 1.394 56.107 54.840 -0.211 0.000 0.759 315 L CB -0.475 41.439 42.059 -0.241 0.000 0.914 315 L HN 0.024 nan 8.230 nan 0.000 0.439 316 V N -0.110 119.634 119.914 -0.284 0.000 2.237 316 V HA -0.334 3.809 4.120 0.039 0.000 0.245 316 V C 2.548 178.506 176.094 -0.227 0.000 1.046 316 V CA 2.146 64.257 62.300 -0.316 0.000 1.007 316 V CB -0.891 30.618 31.823 -0.522 0.000 0.638 316 V HN 0.534 nan 8.190 nan 0.000 0.445 317 Q N -0.271 119.410 119.800 -0.199 0.000 2.217 317 Q HA -0.252 4.112 4.340 0.039 0.000 0.209 317 Q C 2.285 178.238 176.000 -0.077 0.000 0.988 317 Q CA 1.901 57.643 55.803 -0.101 0.000 0.878 317 Q CB -0.368 28.325 28.738 -0.074 0.000 0.909 317 Q HN 0.725 nan 8.270 nan 0.000 0.424 318 A N -0.112 122.641 122.820 -0.111 0.000 1.861 318 A HA -0.024 4.319 4.320 0.039 0.000 0.212 318 A C 2.134 179.640 177.584 -0.130 0.000 1.199 318 A CA 0.679 52.653 52.037 -0.105 0.000 0.613 318 A CB -0.310 18.618 19.000 -0.121 0.000 0.846 318 A HN 0.191 nan 8.150 nan 0.000 0.446 319 V N 0.719 120.513 119.914 -0.199 0.000 3.129 319 V HA 0.010 4.153 4.120 0.039 0.000 0.259 319 V C 0.951 176.977 176.094 -0.112 0.000 1.116 319 V CA 1.340 63.492 62.300 -0.247 0.000 1.127 319 V CB -0.427 31.110 31.823 -0.478 0.000 0.742 319 V HN 0.577 nan 8.190 nan 0.000 0.474 320 N N -0.067 118.588 118.700 -0.074 0.000 2.553 320 N HA 0.157 4.921 4.740 0.039 0.000 0.298 320 N C -1.458 174.074 175.510 0.037 0.000 1.596 320 N CA -1.173 51.879 53.050 0.003 0.000 0.910 320 N CB 0.957 39.452 38.487 0.013 0.000 1.336 320 N HN 0.208 nan 8.380 nan 0.000 0.497 321 P HA -0.233 nan 4.420 nan 0.000 0.236 321 P C -0.048 177.281 177.300 0.048 0.000 1.128 321 P CA 1.650 64.763 63.100 0.021 0.000 0.971 321 P CB 0.315 32.022 31.700 0.012 0.000 0.766 322 E N -1.764 118.473 120.200 0.061 0.000 2.830 322 E HA 0.172 4.546 4.350 0.039 0.000 0.225 322 E C -0.420 176.232 176.600 0.088 0.000 1.109 322 E CA -0.816 55.620 56.400 0.060 0.000 1.392 322 E CB -0.478 29.239 29.700 0.027 0.000 1.349 322 E HN 0.180 nan 8.360 nan 0.000 0.433 323 F N 2.163 122.098 119.950 -0.025 0.000 2.487 323 F HA 0.152 4.703 4.527 0.039 0.000 0.364 323 F C 0.170 175.957 175.800 -0.022 0.000 1.126 323 F CA -0.216 57.767 58.000 -0.028 0.000 1.135 323 F CB 0.164 39.136 39.000 -0.046 0.000 1.127 323 F HN -0.219 nan 8.300 nan 0.000 0.559 324 K N 4.603 124.919 120.400 -0.140 0.000 2.118 324 K HA 0.776 5.120 4.320 0.039 0.000 0.254 324 K C -0.772 175.763 176.600 -0.108 0.000 0.961 324 K CA -0.583 55.667 56.287 -0.063 0.000 0.876 324 K CB 1.594 34.057 32.500 -0.062 0.000 1.077 324 K HN 0.624 nan 8.250 nan 0.000 0.440 325 A N 1.568 124.382 122.820 -0.011 0.000 2.269 325 A HA 0.410 4.753 4.320 0.039 0.000 0.327 325 A C -1.089 176.493 177.584 -0.004 0.000 1.112 325 A CA -0.638 51.398 52.037 -0.002 0.000 0.865 325 A CB 0.080 19.120 19.000 0.065 0.000 1.227 325 A HN 0.892 nan 8.150 nan 0.000 0.498 326 D N 0.401 120.803 120.400 0.004 0.000 2.506 326 D HA 0.360 5.023 4.640 0.039 0.000 0.234 326 D C -2.488 173.835 176.300 0.037 0.000 1.143 326 D CA -0.384 53.624 54.000 0.013 0.000 0.871 326 D CB -0.306 40.505 40.800 0.019 0.000 1.190 326 D HN 0.181 nan 8.370 nan 0.000 0.459 327 P HA 0.085 nan 4.420 nan 0.000 0.278 327 P C 0.639 177.987 177.300 0.081 0.000 1.238 327 P CA -0.733 62.407 63.100 0.067 0.000 0.794 327 P CB 1.466 33.201 31.700 0.059 0.000 0.955 328 V N 0.060 120.048 119.914 0.124 0.000 3.608 328 V HA 0.161 4.305 4.120 0.039 0.000 0.269 328 V C 0.474 176.599 176.094 0.050 0.000 1.245 328 V CA 0.477 62.834 62.300 0.095 0.000 1.138 328 V CB -0.157 31.746 31.823 0.132 0.000 0.841 328 V HN 0.174 nan 8.190 nan 0.000 0.451 329 V N 1.016 120.981 119.914 0.085 0.000 2.709 329 V HA 0.489 4.632 4.120 0.039 0.000 0.308 329 V C -0.048 176.086 176.094 0.067 0.000 1.062 329 V CA -0.315 62.011 62.300 0.044 0.000 0.901 329 V CB 2.146 34.005 31.823 0.060 0.000 1.003 329 V HN 0.278 nan 8.190 nan 0.000 0.425 330 D N 3.144 123.566 120.400 0.036 0.000 2.615 330 D HA 0.297 4.961 4.640 0.039 0.000 0.259 330 D C 0.149 176.474 176.300 0.041 0.000 0.999 330 D CA 0.929 54.950 54.000 0.034 0.000 0.938 330 D CB 1.143 41.950 40.800 0.012 0.000 1.121 330 D HN 0.367 nan 8.370 nan 0.000 0.487 331 I N 0.464 121.051 120.570 0.029 0.000 2.465 331 I HA 0.214 4.408 4.170 0.039 0.000 0.291 331 I C -1.205 174.943 176.117 0.051 0.000 1.014 331 I CA -0.979 60.340 61.300 0.031 0.000 1.093 331 I CB 2.283 40.273 38.000 -0.017 0.000 1.267 331 I HN -0.184 nan 8.210 nan 0.000 0.431 332 Y N 6.597 126.881 120.300 -0.026 0.000 2.331 332 Y HA 0.520 5.093 4.550 0.039 0.000 0.338 332 Y C -0.867 175.013 175.900 -0.033 0.000 0.992 332 Y CA -0.700 57.386 58.100 -0.024 0.000 1.121 332 Y CB 1.484 39.972 38.460 0.048 0.000 1.184 332 Y HN 0.427 nan 8.280 nan 0.000 0.469 333 L N 7.609 128.503 121.223 -0.549 0.000 2.259 333 L HA 0.447 4.810 4.340 0.039 0.000 0.288 333 L C -1.131 175.500 176.870 -0.397 0.000 1.051 333 L CA -0.671 53.957 54.840 -0.354 0.000 0.824 333 L CB 0.301 42.172 42.059 -0.314 0.000 1.206 333 L HN 0.456 nan 8.230 nan 0.000 0.429 334 V N 4.561 124.369 119.914 -0.176 0.000 2.530 334 V HA 0.619 4.762 4.120 0.039 0.000 0.282 334 V C 0.354 176.337 176.094 -0.185 0.000 1.048 334 V CA -0.253 61.940 62.300 -0.178 0.000 0.997 334 V CB 1.152 32.801 31.823 -0.290 0.000 0.987 334 V HN 0.852 nan 8.190 nan 0.000 0.477 335 A N 3.951 126.719 122.820 -0.088 0.000 2.485 335 A HA 0.750 5.093 4.320 0.039 0.000 0.285 335 A C -0.609 177.069 177.584 0.156 0.000 1.045 335 A CA -0.336 51.723 52.037 0.037 0.000 0.792 335 A CB 1.923 20.916 19.000 -0.013 0.000 1.307 335 A HN 0.671 nan 8.150 nan 0.000 0.406 336 S N 0.509 116.390 115.700 0.302 0.000 2.661 336 S HA 0.970 5.463 4.470 0.039 0.000 0.285 336 S C -0.106 174.547 174.600 0.088 0.000 1.138 336 S CA 0.638 58.955 58.200 0.195 0.000 0.855 336 S CB 1.850 65.176 63.200 0.209 0.000 1.136 336 S HN 2.740 nan 8.310 nan 0.000 0.484 337 G N 0.576 109.387 108.800 0.018 0.000 2.515 337 G HA2 0.423 4.407 3.960 0.039 0.000 0.686 337 G HA3 0.423 4.407 3.960 0.039 0.000 0.686 337 G C -0.354 174.551 174.900 0.007 0.000 1.274 337 G CA -0.349 44.747 45.100 -0.007 0.000 0.874 337 G HN 1.377 nan 8.290 nan 0.000 0.631 338 A N 0.417 123.237 122.820 -0.000 0.000 2.491 338 A HA 0.535 4.879 4.320 0.039 0.000 0.261 338 A C 1.062 178.652 177.584 0.010 0.000 1.101 338 A CA 1.380 53.419 52.037 0.004 0.000 0.772 338 A CB -0.361 18.638 19.000 -0.001 0.000 1.043 338 A HN 1.946 nan 8.150 nan 0.000 0.501 339 D N 1.511 121.919 120.400 0.013 0.000 2.811 339 D HA -0.147 4.517 4.640 0.039 0.000 0.231 339 D C 0.985 177.296 176.300 0.018 0.000 1.157 339 D CA 1.862 55.871 54.000 0.015 0.000 0.716 339 D CB -1.665 39.142 40.800 0.011 0.000 1.077 339 D HN 0.609 nan 8.370 nan 0.000 0.428 340 T N -1.061 113.507 114.554 0.024 0.000 2.985 340 T HA -0.120 4.254 4.350 0.039 0.000 0.266 340 T C 1.861 176.575 174.700 0.023 0.000 1.076 340 T CA 0.710 62.827 62.100 0.027 0.000 1.135 340 T CB 0.081 68.974 68.868 0.041 0.000 0.890 340 T HN 0.207 nan 8.240 nan 0.000 0.480 341 Q N 0.890 120.707 119.800 0.028 0.000 2.135 341 Q HA -0.068 4.295 4.340 0.039 0.000 0.204 341 Q C 2.602 178.616 176.000 0.024 0.000 0.981 341 Q CA 1.081 56.903 55.803 0.031 0.000 0.856 341 Q CB -0.498 28.275 28.738 0.058 0.000 0.902 341 Q HN 0.411 nan 8.270 nan 0.000 0.425 342 S N -0.067 115.646 115.700 0.021 0.000 2.383 342 S HA -0.092 4.401 4.470 0.039 0.000 0.227 342 S C 1.862 176.465 174.600 0.006 0.000 1.026 342 S CA 0.944 59.153 58.200 0.015 0.000 0.981 342 S CB -0.026 63.182 63.200 0.012 0.000 0.818 342 S HN 0.475 nan 8.310 nan 0.000 0.472 343 A N 1.332 124.155 122.820 0.005 0.000 1.877 343 A HA 0.118 4.461 4.320 0.039 0.000 0.216 343 A C 2.383 179.961 177.584 -0.011 0.000 1.186 343 A CA 1.838 53.875 52.037 0.000 0.000 0.620 343 A CB -1.282 17.722 19.000 0.006 0.000 0.822 343 A HN 0.613 nan 8.150 nan 0.000 0.443 344 A N -0.394 122.416 122.820 -0.017 0.000 1.865 344 A HA -0.179 4.164 4.320 0.039 0.000 0.217 344 A C 2.286 179.833 177.584 -0.062 0.000 1.191 344 A CA 1.984 53.993 52.037 -0.047 0.000 0.623 344 A CB -0.586 18.377 19.000 -0.061 0.000 0.826 344 A HN 0.528 nan 8.150 nan 0.000 0.444 345 M N -0.797 118.779 119.600 -0.041 0.000 2.229 345 M HA -0.109 4.395 4.480 0.039 0.000 0.264 345 M C 2.484 178.767 176.300 -0.029 0.000 1.063 345 M CA 1.250 56.529 55.300 -0.036 0.000 1.114 345 M CB -0.464 32.143 32.600 0.012 0.000 1.387 345 M HN 0.520 nan 8.290 nan 0.000 0.420 346 A N 0.351 123.159 122.820 -0.019 0.000 1.929 346 A HA -0.124 4.219 4.320 0.039 0.000 0.216 346 A C 2.062 179.633 177.584 -0.022 0.000 1.176 346 A CA 1.103 53.131 52.037 -0.015 0.000 0.628 346 A CB -0.645 18.350 19.000 -0.008 0.000 0.816 346 A HN 0.418 nan 8.150 nan 0.000 0.444 347 L N -0.242 120.965 121.223 -0.027 0.000 2.093 347 L HA 0.002 4.366 4.340 0.039 0.000 0.208 347 L C 2.619 179.464 176.870 -0.042 0.000 1.085 347 L CA 1.962 56.784 54.840 -0.030 0.000 0.755 347 L CB -0.760 41.281 42.059 -0.030 0.000 0.904 347 L HN 0.336 nan 8.230 nan 0.000 0.435 348 A N -0.681 122.103 122.820 -0.060 0.000 1.877 348 A HA -0.187 4.157 4.320 0.039 0.000 0.216 348 A C 2.126 179.678 177.584 -0.054 0.000 1.186 348 A CA 1.702 53.694 52.037 -0.075 0.000 0.620 348 A CB -0.615 18.322 19.000 -0.106 0.000 0.822 348 A HN 0.512 nan 8.150 nan 0.000 0.443 349 E N -0.403 119.772 120.200 -0.041 0.000 2.085 349 E HA -0.233 4.140 4.350 0.039 0.000 0.194 349 E C 2.168 178.755 176.600 -0.023 0.000 0.994 349 E CA 1.385 57.768 56.400 -0.028 0.000 0.801 349 E CB -0.433 29.255 29.700 -0.019 0.000 0.743 349 E HN 0.688 nan 8.360 nan 0.000 0.453 350 R N 0.745 121.232 120.500 -0.021 0.000 2.070 350 R HA -0.091 4.273 4.340 0.039 0.000 0.233 350 R C 2.601 178.892 176.300 -0.016 0.000 1.137 350 R CA 1.068 57.159 56.100 -0.015 0.000 0.945 350 R CB -0.327 29.965 30.300 -0.013 0.000 0.845 350 R HN 0.128 nan 8.270 nan 0.000 0.430 351 L N 0.252 121.462 121.223 -0.022 0.000 2.265 351 L HA -0.133 4.231 4.340 0.039 0.000 0.215 351 L C 2.669 179.525 176.870 -0.023 0.000 1.117 351 L CA 1.214 56.041 54.840 -0.022 0.000 0.782 351 L CB -0.316 41.724 42.059 -0.031 0.000 0.914 351 L HN 0.199 nan 8.230 nan 0.000 0.441 352 R N -0.161 120.322 120.500 -0.027 0.000 2.073 352 R HA -0.108 4.255 4.340 0.039 0.000 0.229 352 R C 1.866 178.157 176.300 -0.016 0.000 1.120 352 R CA 1.270 57.355 56.100 -0.025 0.000 0.967 352 R CB -0.220 30.063 30.300 -0.028 0.000 0.862 352 R HN 0.375 nan 8.270 nan 0.000 0.436 353 D N 0.522 120.915 120.400 -0.013 0.000 2.144 353 D HA -0.156 4.508 4.640 0.039 0.000 0.199 353 D C 1.437 177.733 176.300 -0.006 0.000 0.984 353 D CA 1.295 55.290 54.000 -0.008 0.000 0.834 353 D CB 0.052 40.848 40.800 -0.007 0.000 0.955 353 D HN 0.390 nan 8.370 nan 0.000 0.465 354 E N -0.392 119.804 120.200 -0.007 0.000 2.190 354 E HA 0.042 4.415 4.350 0.039 0.000 0.191 354 E C 0.198 176.796 176.600 -0.003 0.000 0.978 354 E CA 0.217 56.614 56.400 -0.004 0.000 0.839 354 E CB 0.403 30.102 29.700 -0.002 0.000 0.787 354 E HN 0.127 nan 8.360 nan 0.000 0.473 355 L N 2.064 123.283 121.223 -0.006 0.000 2.387 355 L HA 0.333 4.696 4.340 0.039 0.000 0.259 355 L C -2.527 174.339 176.870 -0.007 0.000 1.050 355 L CA -1.923 52.913 54.840 -0.005 0.000 0.922 355 L CB 1.096 43.151 42.059 -0.007 0.000 1.280 355 L HN -0.237 nan 8.230 nan 0.000 0.449 356 P HA 0.171 nan 4.420 nan 0.000 0.267 356 P C 0.932 178.230 177.300 -0.004 0.000 1.205 356 P CA 0.261 63.358 63.100 -0.004 0.000 0.765 356 P CB 0.900 32.600 31.700 -0.001 0.000 0.828 357 G N 1.828 110.625 108.800 -0.005 0.000 2.198 357 G HA2 -0.155 3.829 3.960 0.039 0.000 0.260 357 G HA3 -0.155 3.829 3.960 0.039 0.000 0.260 357 G C 0.072 174.967 174.900 -0.007 0.000 1.025 357 G CA 0.094 45.191 45.100 -0.005 0.000 0.769 357 G HN 0.633 nan 8.290 nan 0.000 0.507 358 V N -3.117 116.789 119.914 -0.012 0.000 2.539 358 V HA 0.756 4.900 4.120 0.039 0.000 0.292 358 V C 0.375 176.456 176.094 -0.023 0.000 1.045 358 V CA -1.627 60.665 62.300 -0.014 0.000 0.945 358 V CB 1.658 33.472 31.823 -0.015 0.000 0.993 358 V HN 0.233 nan 8.190 nan 0.000 0.464 359 K N 4.257 124.644 120.400 -0.022 0.000 2.273 359 K HA 0.591 4.935 4.320 0.039 0.000 0.287 359 K C -0.888 175.682 176.600 -0.050 0.000 1.089 359 K CA -0.084 56.182 56.287 -0.036 0.000 0.909 359 K CB 1.091 33.577 32.500 -0.023 0.000 1.123 359 K HN 0.727 nan 8.250 nan 0.000 0.473 360 L N 4.044 125.222 121.223 -0.075 0.000 2.356 360 L HA 0.496 4.860 4.340 0.039 0.000 0.277 360 L C -1.155 175.620 176.870 -0.158 0.000 0.996 360 L CA -0.511 54.269 54.840 -0.099 0.000 0.822 360 L CB 1.335 43.341 42.059 -0.088 0.000 1.256 360 L HN 0.622 nan 8.230 nan 0.000 0.413 361 M N 3.838 123.309 119.600 -0.214 0.000 2.243 361 M HA 0.429 4.933 4.480 0.039 0.000 0.324 361 M C -0.881 175.113 176.300 -0.510 0.000 1.031 361 M CA -0.414 54.697 55.300 -0.316 0.000 0.949 361 M CB 1.809 34.212 32.600 -0.328 0.000 1.615 361 M HN 0.571 nan 8.290 nan 0.000 0.430 362 T N 3.773 118.040 114.554 -0.478 0.000 2.723 362 T HA 0.159 4.533 4.350 0.039 0.000 0.297 362 T C -0.040 174.238 174.700 -0.703 0.000 0.925 362 T CA -0.336 61.406 62.100 -0.597 0.000 1.030 362 T CB -0.209 68.325 68.868 -0.557 0.000 0.905 362 T HN 0.729 nan 8.240 nan 0.000 0.502 363 N N 2.886 121.182 118.700 -0.673 0.000 2.353 363 N HA -0.063 4.701 4.740 0.039 0.000 0.248 363 N C -0.436 174.964 175.510 -0.183 0.000 1.240 363 N CA 0.716 53.607 53.050 -0.265 0.000 0.862 363 N CB 0.341 38.785 38.487 -0.072 0.000 1.086 363 N HN 0.549 nan 8.380 nan 0.000 0.453 364 H N 0.859 119.956 119.070 0.044 0.000 2.980 364 H HA 0.397 4.976 4.556 0.039 0.000 0.367 364 H C 0.631 175.992 175.328 0.055 0.000 1.206 364 H CA -0.072 55.994 56.048 0.031 0.000 1.126 364 H CB 1.839 31.612 29.762 0.020 0.000 1.838 364 H HN 0.794 nan 8.280 nan 0.000 0.552 365 G N 0.703 109.603 108.800 0.167 0.000 2.143 365 G HA2 -0.053 3.930 3.960 0.039 0.000 0.248 365 G HA3 -0.053 3.930 3.960 0.039 0.000 0.248 365 G C 0.817 175.769 174.900 0.087 0.000 0.991 365 G CA 1.019 46.178 45.100 0.098 0.000 0.689 365 G HN 1.435 nan 8.290 nan 0.000 0.522 366 G N -1.005 107.851 108.800 0.094 0.000 2.569 366 G HA2 0.458 4.441 3.960 0.039 0.000 0.259 366 G HA3 0.458 4.441 3.960 0.039 0.000 0.259 366 G C 1.227 176.177 174.900 0.084 0.000 1.263 366 G CA 1.372 46.519 45.100 0.077 0.000 0.928 366 G HN 2.808 nan 8.290 nan 0.000 0.572 367 G N -1.560 107.280 108.800 0.067 0.000 2.742 367 G HA2 0.468 4.452 3.960 0.039 0.000 0.686 367 G HA3 0.468 4.452 3.960 0.039 0.000 0.686 367 G C -0.429 174.512 174.900 0.068 0.000 1.220 367 G CA 0.463 45.601 45.100 0.063 0.000 0.783 367 G HN 2.517 nan 8.290 nan 0.000 0.646 368 N N 0.304 119.033 118.700 0.048 0.000 2.424 368 N HA 0.523 5.286 4.740 0.039 0.000 0.257 368 N C 1.142 176.716 175.510 0.107 0.000 1.250 368 N CA -0.807 52.273 53.050 0.050 0.000 0.946 368 N CB 0.316 38.809 38.487 0.009 0.000 1.175 368 N HN 0.246 nan 8.380 nan 0.000 0.477 369 F N -0.440 119.391 119.950 -0.199 0.000 2.154 369 F HA -0.133 4.418 4.527 0.039 0.000 0.301 369 F C 2.202 177.721 175.800 -0.469 0.000 1.087 369 F CA 1.331 59.064 58.000 -0.445 0.000 1.274 369 F CB -0.780 37.969 39.000 -0.418 0.000 1.009 369 F HN 0.668 nan 8.300 nan 0.000 0.485 370 K N 0.524 120.943 120.400 0.033 0.000 2.057 370 K HA -0.177 4.167 4.320 0.039 0.000 0.207 370 K C 2.036 178.663 176.600 0.046 0.000 1.049 370 K CA 1.473 57.809 56.287 0.082 0.000 0.931 370 K CB -0.056 32.498 32.500 0.088 0.000 0.714 370 K HN 0.090 nan 8.250 nan 0.000 0.440 371 K N 0.247 120.659 120.400 0.020 0.000 2.002 371 K HA -0.165 4.179 4.320 0.039 0.000 0.209 371 K C 2.372 178.973 176.600 0.002 0.000 1.048 371 K CA 1.944 58.242 56.287 0.018 0.000 0.930 371 K CB -0.146 32.371 32.500 0.028 0.000 0.714 371 K HN 0.256 nan 8.250 nan 0.000 0.438 372 Q N -0.297 119.487 119.800 -0.027 0.000 2.135 372 Q HA -0.164 4.199 4.340 0.039 0.000 0.204 372 Q C 1.955 177.940 176.000 -0.024 0.000 0.981 372 Q CA 1.401 57.197 55.803 -0.012 0.000 0.856 372 Q CB -0.106 28.588 28.738 -0.073 0.000 0.902 372 Q HN 0.223 nan 8.270 nan 0.000 0.425 373 F N -0.040 119.900 119.950 -0.018 0.000 2.206 373 F HA -0.003 4.547 4.527 0.039 0.000 0.298 373 F C 2.302 178.040 175.800 -0.104 0.000 1.090 373 F CA 0.607 58.570 58.000 -0.062 0.000 1.323 373 F CB -0.958 38.025 39.000 -0.028 0.000 1.028 373 F HN 0.031 nan 8.300 nan 0.000 0.492 374 A N 0.337 123.214 122.820 0.094 0.000 1.930 374 A HA -0.173 4.171 4.320 0.039 0.000 0.217 374 A C 2.360 179.888 177.584 -0.093 0.000 1.175 374 A CA 1.288 53.327 52.037 0.003 0.000 0.627 374 A CB -0.603 18.400 19.000 0.004 0.000 0.815 374 A HN 0.299 nan 8.150 nan 0.000 0.443 375 R N -0.337 120.080 120.500 -0.138 0.000 2.096 375 R HA -0.082 4.281 4.340 0.039 0.000 0.235 375 R C 2.429 178.496 176.300 -0.390 0.000 1.127 375 R CA 1.182 57.141 56.100 -0.235 0.000 0.968 375 R CB -0.510 29.696 30.300 -0.156 0.000 0.861 375 R HN 0.498 nan 8.270 nan 0.000 0.440 376 A N 1.698 124.182 122.820 -0.559 0.000 1.933 376 A HA -0.199 4.145 4.320 0.039 0.000 0.218 376 A C 1.561 179.085 177.584 -0.100 0.000 1.175 376 A CA 1.767 53.550 52.037 -0.423 0.000 0.628 376 A CB -0.337 18.582 19.000 -0.134 0.000 0.814 376 A HN 0.224 nan 8.150 nan 0.000 0.444 377 D N -0.356 119.989 120.400 -0.091 0.000 2.117 377 D HA -0.161 4.502 4.640 0.039 0.000 0.198 377 D C 1.881 178.125 176.300 -0.093 0.000 0.982 377 D CA 1.494 55.457 54.000 -0.062 0.000 0.828 377 D CB -0.294 40.472 40.800 -0.055 0.000 0.967 377 D HN 0.619 nan 8.370 nan 0.000 0.464 378 K N 0.250 120.538 120.400 -0.188 0.000 2.074 378 K HA -0.177 4.167 4.320 0.039 0.000 0.209 378 K C 1.733 178.134 176.600 -0.332 0.000 1.048 378 K CA 1.219 57.311 56.287 -0.325 0.000 0.926 378 K CB -0.192 31.997 32.500 -0.518 0.000 0.713 378 K HN 0.187 nan 8.250 nan 0.000 0.444 379 W N -0.070 121.186 121.300 -0.073 0.000 3.139 379 W HA 0.198 4.881 4.660 0.038 0.000 0.260 379 W C 1.011 177.525 176.519 -0.010 0.000 1.312 379 W CA 0.324 57.654 57.345 -0.024 0.000 1.606 379 W CB 0.415 29.878 29.460 0.004 0.000 1.118 379 W HN 0.417 nan 8.180 nan 0.000 0.675 380 G N 0.515 109.406 108.800 0.151 0.000 2.137 380 G HA2 -0.144 3.839 3.960 0.039 0.000 0.237 380 G HA3 -0.144 3.839 3.960 0.039 0.000 0.237 380 G C 0.350 175.310 174.900 0.100 0.000 1.002 380 G CA -0.365 44.794 45.100 0.098 0.000 0.702 380 G HN 0.472 nan 8.290 nan 0.000 0.515 381 A N -0.609 122.285 122.820 0.123 0.000 2.483 381 A HA 0.659 5.002 4.320 0.039 0.000 0.238 381 A C 1.314 178.928 177.584 0.050 0.000 1.070 381 A CA 1.041 53.141 52.037 0.106 0.000 0.770 381 A CB 0.256 19.350 19.000 0.157 0.000 1.008 381 A HN 0.508 nan 8.150 nan 0.000 0.497 382 R N 0.488 121.007 120.500 0.033 0.000 2.156 382 R HA 0.231 4.594 4.340 0.039 0.000 0.207 382 R C -0.484 175.807 176.300 -0.015 0.000 1.040 382 R CA 0.682 56.784 56.100 0.004 0.000 1.013 382 R CB 0.346 30.646 30.300 0.001 0.000 0.931 382 R HN 0.555 nan 8.270 nan 0.000 0.465 383 V N 0.023 119.934 119.914 -0.005 0.000 2.925 383 V HA 0.630 4.773 4.120 0.039 0.000 0.311 383 V C -1.059 175.037 176.094 0.003 0.000 1.104 383 V CA -1.156 61.125 62.300 -0.032 0.000 0.954 383 V CB 1.874 33.667 31.823 -0.051 0.000 1.022 383 V HN 0.131 nan 8.190 nan 0.000 0.427 384 A N 2.621 125.430 122.820 -0.019 0.000 2.355 384 A HA 0.899 5.242 4.320 0.039 0.000 0.317 384 A C -0.663 176.920 177.584 -0.002 0.000 1.094 384 A CA -0.621 51.447 52.037 0.051 0.000 0.764 384 A CB 1.828 20.895 19.000 0.112 0.000 1.230 384 A HN 1.630 nan 8.150 nan 0.000 0.448 385 V N 1.293 121.202 119.914 -0.008 0.000 2.417 385 V HA 0.771 4.914 4.120 0.039 0.000 0.291 385 V C -0.373 175.705 176.094 -0.027 0.000 1.024 385 V CA -0.609 61.672 62.300 -0.032 0.000 0.861 385 V CB 0.841 32.634 31.823 -0.051 0.000 0.985 385 V HN 0.607 nan 8.190 nan 0.000 0.436 386 V N 5.963 125.869 119.914 -0.013 0.000 2.617 386 V HA 0.610 4.754 4.120 0.039 0.000 0.298 386 V C -0.224 175.877 176.094 0.011 0.000 1.048 386 V CA -0.495 61.778 62.300 -0.045 0.000 0.964 386 V CB 1.527 33.348 31.823 -0.004 0.000 1.004 386 V HN 0.861 nan 8.190 nan 0.000 0.466 387 L N 3.867 125.117 121.223 0.045 0.000 2.573 387 L HA 0.718 5.081 4.340 0.039 0.000 0.260 387 L C 0.282 177.255 176.870 0.171 0.000 0.997 387 L CA 0.339 55.233 54.840 0.089 0.000 0.890 387 L CB 1.061 43.139 42.059 0.033 0.000 1.179 387 L HN 0.745 nan 8.230 nan 0.000 0.439 388 G N 1.610 110.537 108.800 0.211 0.000 2.510 388 G HA2 0.313 4.296 3.960 0.039 0.000 0.280 388 G HA3 0.313 4.296 3.960 0.039 0.000 0.280 388 G C 0.336 175.282 174.900 0.076 0.000 1.386 388 G CA -0.094 45.100 45.100 0.157 0.000 1.047 388 G HN 0.646 nan 8.290 nan 0.000 0.527 389 E N -0.369 119.854 120.200 0.037 0.000 2.072 389 E HA -0.130 4.244 4.350 0.039 0.000 0.191 389 E C 2.818 179.434 176.600 0.026 0.000 0.985 389 E CA 1.565 57.980 56.400 0.023 0.000 0.801 389 E CB -0.115 29.588 29.700 0.006 0.000 0.750 389 E HN 0.422 nan 8.360 nan 0.000 0.452 390 S N 1.755 117.472 115.700 0.028 0.000 2.353 390 S HA -0.249 4.245 4.470 0.039 0.000 0.222 390 S C 1.908 176.530 174.600 0.036 0.000 1.035 390 S CA 1.365 59.582 58.200 0.030 0.000 1.025 390 S CB -0.429 62.790 63.200 0.032 0.000 0.902 390 S HN 0.107 nan 8.310 nan 0.000 0.440 391 E N 1.176 121.406 120.200 0.050 0.000 2.160 391 E HA -0.032 4.341 4.350 0.039 0.000 0.195 391 E C 2.133 178.755 176.600 0.035 0.000 0.991 391 E CA 0.909 57.338 56.400 0.048 0.000 0.810 391 E CB -0.724 29.013 29.700 0.061 0.000 0.742 391 E HN 0.420 nan 8.360 nan 0.000 0.466 392 V N 0.651 120.586 119.914 0.034 0.000 2.358 392 V HA -0.248 3.895 4.120 0.039 0.000 0.246 392 V C 2.157 178.263 176.094 0.020 0.000 1.047 392 V CA 1.845 64.160 62.300 0.024 0.000 1.035 392 V CB -0.759 31.078 31.823 0.024 0.000 0.658 392 V HN 0.363 nan 8.190 nan 0.000 0.452 393 A N 0.347 123.178 122.820 0.019 0.000 1.897 393 A HA -0.137 4.206 4.320 0.039 0.000 0.215 393 A C 1.857 179.451 177.584 0.016 0.000 1.181 393 A CA 1.628 53.674 52.037 0.015 0.000 0.620 393 A CB -0.522 18.487 19.000 0.014 0.000 0.821 393 A HN 0.579 nan 8.150 nan 0.000 0.443 394 N N -0.394 118.317 118.700 0.019 0.000 2.461 394 N HA 0.135 4.898 4.740 0.039 0.000 0.188 394 N C 1.133 176.654 175.510 0.019 0.000 1.134 394 N CA 0.966 54.028 53.050 0.019 0.000 0.878 394 N CB 0.053 38.553 38.487 0.023 0.000 0.972 394 N HN 0.633 nan 8.380 nan 0.000 0.456 395 G N 0.505 109.316 108.800 0.019 0.000 2.168 395 G HA2 -0.321 3.663 3.960 0.039 0.000 0.257 395 G HA3 -0.321 3.663 3.960 0.039 0.000 0.257 395 G C 0.466 175.378 174.900 0.021 0.000 0.997 395 G CA 1.190 46.300 45.100 0.017 0.000 0.708 395 G HN 0.507 nan 8.290 nan 0.000 0.520 396 T N -2.440 112.130 114.554 0.026 0.000 2.880 396 T HA 0.896 5.270 4.350 0.039 0.000 0.279 396 T C 0.090 174.807 174.700 0.030 0.000 0.990 396 T CA 0.173 62.291 62.100 0.030 0.000 0.938 396 T CB 2.384 71.274 68.868 0.036 0.000 1.206 396 T HN 1.819 nan 8.240 nan 0.000 0.573 397 A N 0.210 123.049 122.820 0.031 0.000 2.517 397 A HA 0.631 4.974 4.320 0.039 0.000 0.297 397 A C -0.828 176.772 177.584 0.027 0.000 1.050 397 A CA -0.823 51.229 52.037 0.025 0.000 0.694 397 A CB 1.498 20.504 19.000 0.009 0.000 1.277 397 A HN 0.771 nan 8.150 nan 0.000 0.400 398 V N 2.026 121.959 119.914 0.033 0.000 2.498 398 V HA 0.374 4.517 4.120 0.039 0.000 0.279 398 V C -0.013 176.071 176.094 -0.017 0.000 1.048 398 V CA -0.331 61.985 62.300 0.028 0.000 0.967 398 V CB 1.400 33.262 31.823 0.064 0.000 0.988 398 V HN 0.622 nan 8.190 nan 0.000 0.473 399 V N 5.766 125.644 119.914 -0.060 0.000 2.347 399 V HA 0.387 4.530 4.120 0.039 0.000 0.280 399 V C 0.113 176.123 176.094 -0.141 0.000 1.021 399 V CA -0.639 61.573 62.300 -0.147 0.000 0.847 399 V CB 1.431 33.057 31.823 -0.327 0.000 0.990 399 V HN 0.828 nan 8.190 nan 0.000 0.444 400 K N 4.136 124.457 120.400 -0.132 0.000 2.339 400 K HA 0.268 4.612 4.320 0.039 0.000 0.264 400 K C -0.548 175.961 176.600 -0.152 0.000 0.986 400 K CA -0.568 55.629 56.287 -0.151 0.000 0.866 400 K CB 1.037 33.402 32.500 -0.226 0.000 1.103 400 K HN 0.736 nan 8.250 nan 0.000 0.441 401 D N 6.396 126.721 120.400 -0.125 0.000 2.374 401 D HA 0.033 4.697 4.640 0.039 0.000 0.240 401 D C 1.168 177.404 176.300 -0.106 0.000 1.229 401 D CA -0.101 53.840 54.000 -0.097 0.000 0.895 401 D CB 0.782 41.544 40.800 -0.062 0.000 1.046 401 D HN 0.629 nan 8.370 nan 0.000 0.498 402 L N 3.601 124.758 121.223 -0.111 0.000 2.191 402 L HA -0.175 4.189 4.340 0.039 0.000 0.212 402 L C 2.384 179.203 176.870 -0.085 0.000 1.103 402 L CA 0.905 55.669 54.840 -0.125 0.000 0.769 402 L CB -0.211 41.788 42.059 -0.101 0.000 0.908 402 L HN 0.304 nan 8.230 nan 0.000 0.438 403 R N -0.023 120.442 120.500 -0.058 0.000 2.148 403 R HA -0.078 4.285 4.340 0.039 0.000 0.227 403 R C 1.877 178.152 176.300 -0.041 0.000 1.103 403 R CA 1.558 57.633 56.100 -0.041 0.000 0.983 403 R CB -0.237 30.046 30.300 -0.027 0.000 0.874 403 R HN 0.400 nan 8.270 nan 0.000 0.451 404 S N -2.579 113.093 115.700 -0.047 0.000 2.728 404 S HA 0.353 4.846 4.470 0.039 0.000 0.257 404 S C 1.300 175.871 174.600 -0.049 0.000 1.060 404 S CA -0.100 58.077 58.200 -0.039 0.000 1.126 404 S CB 1.488 64.673 63.200 -0.025 0.000 1.099 404 S HN 0.458 nan 8.310 nan 0.000 0.617 405 G N 2.844 111.599 108.800 -0.075 0.000 2.253 405 G HA2 -0.335 3.649 3.960 0.039 0.000 0.251 405 G HA3 -0.335 3.649 3.960 0.039 0.000 0.251 405 G C -0.017 174.840 174.900 -0.072 0.000 0.998 405 G CA 0.136 45.182 45.100 -0.089 0.000 0.621 405 G HN 0.856 nan 8.290 nan 0.000 0.524 406 E N 1.738 121.910 120.200 -0.047 0.000 2.463 406 E HA 0.185 4.558 4.350 0.039 0.000 0.248 406 E C 0.245 176.824 176.600 -0.035 0.000 1.106 406 E CA 0.639 57.024 56.400 -0.025 0.000 0.946 406 E CB -0.175 29.523 29.700 -0.003 0.000 0.971 406 E HN 0.747 nan 8.360 nan 0.000 0.478 407 Q N 2.582 122.367 119.800 -0.025 0.000 2.331 407 Q HA 0.437 4.800 4.340 0.039 0.000 0.267 407 Q C -0.898 175.109 176.000 0.012 0.000 1.006 407 Q CA -0.913 54.874 55.803 -0.027 0.000 0.818 407 Q CB 1.785 30.503 28.738 -0.034 0.000 1.276 407 Q HN 0.541 nan 8.270 nan 0.000 0.450 408 T N -0.768 113.800 114.554 0.024 0.000 2.912 408 T HA 0.808 5.181 4.350 0.039 0.000 0.288 408 T C -0.306 174.430 174.700 0.059 0.000 1.030 408 T CA -0.781 61.359 62.100 0.066 0.000 1.020 408 T CB 1.732 70.687 68.868 0.144 0.000 1.056 408 T HN 0.736 nan 8.240 nan 0.000 0.480 409 A N 1.953 124.810 122.820 0.062 0.000 2.301 409 A HA 0.698 5.041 4.320 0.039 0.000 0.298 409 A C -0.236 177.391 177.584 0.072 0.000 1.185 409 A CA -0.631 51.441 52.037 0.058 0.000 0.830 409 A CB 0.314 19.344 19.000 0.051 0.000 1.112 409 A HN 0.843 nan 8.150 nan 0.000 0.508 410 V N 1.616 121.573 119.914 0.072 0.000 2.769 410 V HA 0.658 4.801 4.120 0.039 0.000 0.312 410 V C 0.749 176.875 176.094 0.053 0.000 1.061 410 V CA -0.449 61.901 62.300 0.084 0.000 0.931 410 V CB 1.821 33.728 31.823 0.140 0.000 1.010 410 V HN 1.237 nan 8.190 nan 0.000 0.433 411 A N 2.250 125.096 122.820 0.043 0.000 2.445 411 A HA 0.229 4.572 4.320 0.039 0.000 0.242 411 A C 0.982 178.583 177.584 0.029 0.000 1.075 411 A CA 0.082 52.137 52.037 0.031 0.000 0.777 411 A CB 0.109 19.123 19.000 0.023 0.000 1.013 411 A HN 0.957 nan 8.150 nan 0.000 0.493 412 Q N 0.303 120.116 119.800 0.022 0.000 2.226 412 Q HA -0.161 4.203 4.340 0.039 0.000 0.204 412 Q C 0.672 176.681 176.000 0.015 0.000 0.975 412 Q CA 1.758 57.571 55.803 0.017 0.000 0.866 412 Q CB -0.016 28.729 28.738 0.011 0.000 0.915 412 Q HN 0.849 nan 8.270 nan 0.000 0.440 413 D N -0.496 119.913 120.400 0.015 0.000 2.277 413 D HA -0.043 4.620 4.640 0.039 0.000 0.208 413 D C 1.069 177.379 176.300 0.017 0.000 0.962 413 D CA 0.728 54.736 54.000 0.013 0.000 0.865 413 D CB 0.175 40.981 40.800 0.010 0.000 0.939 413 D HN 0.063 nan 8.370 nan 0.000 0.510 414 S N 0.424 116.139 115.700 0.024 0.000 2.540 414 S HA 0.019 4.513 4.470 0.039 0.000 0.218 414 S C 2.281 176.915 174.600 0.057 0.000 0.977 414 S CA -0.173 58.046 58.200 0.032 0.000 0.918 414 S CB 0.628 63.844 63.200 0.026 0.000 0.806 414 S HN 0.252 nan 8.310 nan 0.000 0.496 415 V N 0.775 120.720 119.914 0.052 0.000 2.343 415 V HA -0.085 4.058 4.120 0.039 0.000 0.247 415 V C 2.473 178.603 176.094 0.061 0.000 1.051 415 V CA 1.571 63.908 62.300 0.062 0.000 1.036 415 V CB -1.656 30.180 31.823 0.023 0.000 0.654 415 V HN 0.393 nan 8.190 nan 0.000 0.451 416 A N 1.210 124.051 122.820 0.035 0.000 1.873 416 A HA -0.134 4.209 4.320 0.039 0.000 0.218 416 A C 2.550 180.160 177.584 0.043 0.000 1.193 416 A CA 3.233 55.286 52.037 0.027 0.000 0.629 416 A CB -1.372 17.637 19.000 0.014 0.000 0.826 416 A HN 1.033 nan 8.150 nan 0.000 0.447 417 A N -1.710 121.137 122.820 0.045 0.000 1.940 417 A HA -0.248 4.096 4.320 0.039 0.000 0.219 417 A C 2.127 179.759 177.584 0.081 0.000 1.176 417 A CA 2.107 54.169 52.037 0.042 0.000 0.631 417 A CB -0.866 18.146 19.000 0.020 0.000 0.814 417 A HN 0.717 nan 8.150 nan 0.000 0.446 418 H N -0.003 119.064 119.070 -0.005 0.000 2.389 418 H HA 0.047 4.627 4.556 0.039 0.000 0.299 418 H C 1.794 177.118 175.328 -0.007 0.000 1.081 418 H CA 1.638 57.683 56.048 -0.005 0.000 1.345 418 H CB -0.259 29.501 29.762 -0.004 0.000 1.393 418 H HN 0.431 nan 8.280 nan 0.000 0.520 419 L N -0.248 121.047 121.223 0.121 0.000 2.072 419 L HA -0.106 4.257 4.340 0.039 0.000 0.205 419 L C 2.912 179.812 176.870 0.049 0.000 1.079 419 L CA 0.913 55.777 54.840 0.039 0.000 0.752 419 L CB -0.299 41.761 42.059 0.002 0.000 0.906 419 L HN 0.131 nan 8.230 nan 0.000 0.436 420 R N -0.432 120.097 120.500 0.048 0.000 2.103 420 R HA -0.176 4.188 4.340 0.039 0.000 0.242 420 R C 2.263 178.586 176.300 0.038 0.000 1.142 420 R CA 2.099 58.219 56.100 0.032 0.000 0.960 420 R CB -0.762 29.552 30.300 0.024 0.000 0.858 420 R HN 0.393 nan 8.270 nan 0.000 0.439 421 T N 1.480 116.069 114.554 0.058 0.000 2.708 421 T HA -0.095 4.279 4.350 0.039 0.000 0.266 421 T C 1.865 176.601 174.700 0.060 0.000 1.037 421 T CA 0.994 63.126 62.100 0.053 0.000 1.146 421 T CB -0.128 68.773 68.868 0.056 0.000 0.865 421 T HN 0.157 nan 8.240 nan 0.000 0.435 422 L N 0.108 121.383 121.223 0.087 0.000 2.217 422 L HA 0.066 4.429 4.340 0.039 0.000 0.211 422 L C 2.232 179.116 176.870 0.023 0.000 1.107 422 L CA 0.863 55.736 54.840 0.055 0.000 0.783 422 L CB -0.349 41.733 42.059 0.038 0.000 0.919 422 L HN 0.288 nan 8.230 nan 0.000 0.442 423 L N -1.591 119.644 121.223 0.018 0.000 2.262 423 L HA 0.281 4.644 4.340 0.039 0.000 0.197 423 L C 1.014 177.889 176.870 0.007 0.000 1.073 423 L CA 0.626 55.471 54.840 0.009 0.000 0.800 423 L CB -0.130 41.932 42.059 0.005 0.000 0.987 423 L HN 0.261 nan 8.230 nan 0.000 0.470 424 G N 0.000 108.806 108.800 0.009 0.000 5.446 424 G HA2 0.000 3.983 3.960 0.039 0.000 0.244 424 G HA3 0.000 3.983 3.960 0.039 0.000 0.244 424 G CA 0.000 45.103 45.100 0.006 0.000 0.502 424 G HN 0.000 nan 8.290 nan 0.000 0.925