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 1ahf_1_A DATA FIRST_RESID 5 DATA SEQUENCE MFENITAAPA DPILGLADLF RADERPGKIN LGIGLYYDET GKIPVLTSVK DATA SEQUENCE KAEQYLLENE XTTKLYLGID GIPEFGRCTQ ELLFGKGSAL INDKRARTAQ DATA SEQUENCE TPGGSGALRV AADFLAKNTS VKXXRXXXVW VSNPSWPNHK SVFNSAGLXE DATA SEQUENCE VREYAYYDAE NHTLDFDALI NSLNEAQAGD VVLFHGCCHN PTGIDPTLEQ DATA SEQUENCE WQTLAQLSVE KGWLPLFDFA YQGFARGXLE EDAEGLRAFA AMHKELIVAS DATA SEQUENCE SYSKNFGLYN ERVGACTLVA ADSETVDRAF SQMKAAIRAN YSSPPAHGAS DATA SEQUENCE VVATILSNDA LRAIWEQELT DMRQRIQRMR QLFVNTLQEK GANRDFSFII DATA SEQUENCE KQNGMFSFSG LTKEQVLRLR EEFGVYAVAS GRVNVAGMTP DNMAPLCEAI DATA SEQUENCE VXAVL 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 5 M HA 0.000 nan 4.480 nan 0.000 0.227 5 M C 0.000 176.315 176.300 0.024 0.000 1.140 5 M CA 0.000 55.148 55.300 -0.254 0.000 0.988 5 M CB 0.000 32.284 32.600 -0.526 0.000 1.302 6 F N 0.450 120.399 119.950 -0.001 0.000 2.682 6 F HA 0.425 4.951 4.527 -0.002 0.000 0.308 6 F C 1.449 177.249 175.800 -0.001 0.000 1.093 6 F CA 0.027 58.026 58.000 -0.001 0.000 1.244 6 F CB -0.410 38.590 39.000 -0.001 0.000 1.052 6 F HN 0.052 nan 8.300 nan 0.000 0.573 7 E N 1.238 121.532 120.200 0.156 0.000 2.086 7 E HA -0.254 4.095 4.350 -0.001 0.000 0.200 7 E C 1.438 178.081 176.600 0.072 0.000 1.012 7 E CA 2.004 58.456 56.400 0.086 0.000 0.812 7 E CB -0.401 29.324 29.700 0.042 0.000 0.743 7 E HN 0.420 nan 8.360 nan 0.000 0.453 8 N N 0.249 118.992 118.700 0.072 0.000 2.280 8 N HA 0.053 4.792 4.740 -0.001 0.000 0.192 8 N C -0.127 175.411 175.510 0.047 0.000 1.109 8 N CA 0.032 53.112 53.050 0.050 0.000 0.855 8 N CB -0.127 38.385 38.487 0.041 0.000 0.974 8 N HN 0.106 nan 8.380 nan 0.000 0.482 9 I N 1.666 122.272 120.570 0.061 0.000 2.598 9 I HA -0.020 4.149 4.170 -0.001 0.000 0.284 9 I C 0.820 176.944 176.117 0.011 0.000 1.140 9 I CA -0.097 61.221 61.300 0.030 0.000 1.420 9 I CB 0.144 38.150 38.000 0.011 0.000 1.387 9 I HN 0.143 nan 8.210 nan 0.000 0.553 10 T N 3.555 118.110 114.554 0.002 0.000 2.909 10 T HA 0.598 4.947 4.350 -0.001 0.000 0.289 10 T C 0.169 174.860 174.700 -0.013 0.000 1.005 10 T CA -0.879 61.219 62.100 -0.003 0.000 1.084 10 T CB 1.522 70.389 68.868 -0.002 0.000 0.975 10 T HN 0.690 nan 8.240 nan 0.000 0.509 11 A N 2.233 125.046 122.820 -0.013 0.000 2.425 11 A HA 0.659 4.978 4.320 -0.001 0.000 0.242 11 A C 0.868 178.440 177.584 -0.020 0.000 1.077 11 A CA -0.259 51.767 52.037 -0.019 0.000 0.781 11 A CB -0.511 18.481 19.000 -0.013 0.000 1.020 11 A HN 1.462 nan 8.150 nan 0.000 0.494 12 A N 2.051 124.856 122.820 -0.026 0.000 2.246 12 A HA 0.749 5.068 4.320 -0.001 0.000 0.291 12 A C -2.192 175.379 177.584 -0.022 0.000 1.103 12 A CA -1.245 50.776 52.037 -0.026 0.000 0.844 12 A CB -0.502 18.478 19.000 -0.034 0.000 1.136 12 A HN 0.737 nan 8.150 nan 0.000 0.500 13 P HA 0.536 nan 4.420 nan 0.000 0.290 13 P C -0.422 176.864 177.300 -0.024 0.000 1.276 13 P CA -0.178 62.909 63.100 -0.021 0.000 0.808 13 P CB 1.209 32.896 31.700 -0.023 0.000 0.966 14 A N 2.061 124.871 122.820 -0.016 0.000 2.406 14 A HA 0.092 4.411 4.320 -0.001 0.000 0.243 14 A C 0.467 178.036 177.584 -0.025 0.000 1.082 14 A CA -0.335 51.693 52.037 -0.016 0.000 0.786 14 A CB -0.153 18.846 19.000 -0.002 0.000 1.029 14 A HN 0.676 nan 8.150 nan 0.000 0.495 15 D N 1.681 122.063 120.400 -0.031 0.000 2.450 15 D HA 0.049 4.688 4.640 -0.001 0.000 0.247 15 D C -1.308 174.973 176.300 -0.031 0.000 1.162 15 D CA -1.071 52.900 54.000 -0.048 0.000 0.879 15 D CB 0.904 41.672 40.800 -0.054 0.000 1.163 15 D HN 0.200 nan 8.370 nan 0.000 0.472 16 P HA -0.103 nan 4.420 nan 0.000 0.221 16 P C 1.282 178.580 177.300 -0.003 0.000 1.145 16 P CA 0.996 64.082 63.100 -0.022 0.000 0.795 16 P CB 0.408 32.084 31.700 -0.039 0.000 0.775 17 I N -1.889 118.671 120.570 -0.016 0.000 2.962 17 I HA -0.037 4.132 4.170 -0.001 0.000 0.246 17 I C 2.079 178.211 176.117 0.024 0.000 1.091 17 I CA 0.129 61.439 61.300 0.015 0.000 1.469 17 I CB -0.679 37.340 38.000 0.031 0.000 1.324 17 I HN -0.247 nan 8.210 nan 0.000 0.461 18 L N 1.367 122.595 121.223 0.009 0.000 2.081 18 L HA -0.152 4.187 4.340 -0.001 0.000 0.212 18 L C 2.578 179.459 176.870 0.019 0.000 1.080 18 L CA 2.196 57.043 54.840 0.011 0.000 0.754 18 L CB -2.180 39.879 42.059 -0.000 0.000 0.893 18 L HN 0.333 nan 8.230 nan 0.000 0.433 19 G N -0.685 108.126 108.800 0.019 0.000 2.476 19 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.218 19 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.218 19 G C 1.743 176.682 174.900 0.065 0.000 1.164 19 G CA 0.721 45.840 45.100 0.033 0.000 0.768 19 G HN 0.317 nan 8.290 nan 0.000 0.560 20 L N 0.594 121.870 121.223 0.088 0.000 2.043 20 L HA -0.183 4.156 4.340 -0.001 0.000 0.212 20 L C 3.457 180.403 176.870 0.125 0.000 1.075 20 L CA 1.505 56.438 54.840 0.154 0.000 0.752 20 L CB -0.665 41.498 42.059 0.174 0.000 0.891 20 L HN 0.377 nan 8.230 nan 0.000 0.432 21 A N -0.065 122.790 122.820 0.059 0.000 1.917 21 A HA -0.270 4.049 4.320 -0.001 0.000 0.219 21 A C 1.878 179.510 177.584 0.081 0.000 1.182 21 A CA 2.115 54.171 52.037 0.032 0.000 0.633 21 A CB -0.576 18.420 19.000 -0.006 0.000 0.819 21 A HN 0.491 nan 8.150 nan 0.000 0.448 22 D N -0.179 120.260 120.400 0.064 0.000 2.087 22 D HA -0.160 4.479 4.640 -0.001 0.000 0.192 22 D C 1.899 178.239 176.300 0.067 0.000 0.993 22 D CA 1.500 55.534 54.000 0.056 0.000 0.828 22 D CB -0.433 40.392 40.800 0.041 0.000 0.968 22 D HN 0.336 nan 8.370 nan 0.000 0.448 23 L N 0.324 121.605 121.223 0.098 0.000 2.013 23 L HA -0.210 4.130 4.340 -0.001 0.000 0.212 23 L C 2.384 179.288 176.870 0.057 0.000 1.073 23 L CA 1.243 56.157 54.840 0.123 0.000 0.753 23 L CB -0.673 41.536 42.059 0.250 0.000 0.890 23 L HN -0.021 nan 8.230 nan 0.000 0.432 24 F N 0.008 119.835 119.950 -0.205 0.000 2.065 24 F HA -0.284 4.243 4.527 -0.002 0.000 0.298 24 F C 2.688 178.352 175.800 -0.227 0.000 1.112 24 F CA 1.566 59.274 58.000 -0.486 0.000 1.212 24 F CB -0.243 38.440 39.000 -0.528 0.000 0.975 24 F HN -0.043 nan 8.300 nan 0.000 0.476 25 R N 0.442 120.963 120.500 0.034 0.000 2.113 25 R HA -0.198 4.141 4.340 -0.001 0.000 0.231 25 R C 2.343 178.588 176.300 -0.092 0.000 1.129 25 R CA 1.608 57.704 56.100 -0.006 0.000 0.915 25 R CB -1.668 28.656 30.300 0.039 0.000 0.837 25 R HN 0.390 nan 8.270 nan 0.000 0.430 26 A N 1.475 124.264 122.820 -0.052 0.000 2.139 26 A HA -0.152 4.167 4.320 -0.001 0.000 0.221 26 A C 0.738 178.278 177.584 -0.074 0.000 1.159 26 A CA 0.887 52.897 52.037 -0.046 0.000 0.662 26 A CB -0.499 18.495 19.000 -0.010 0.000 0.796 26 A HN 0.267 nan 8.150 nan 0.000 0.463 27 D N -0.082 120.232 120.400 -0.143 0.000 2.336 27 D HA 0.204 4.844 4.640 -0.001 0.000 0.249 27 D C 0.654 176.854 176.300 -0.167 0.000 1.213 27 D CA -0.028 53.886 54.000 -0.143 0.000 0.870 27 D CB 0.693 41.387 40.800 -0.177 0.000 1.076 27 D HN 0.406 nan 8.370 nan 0.000 0.483 28 E N 2.088 122.231 120.200 -0.095 0.000 2.358 28 E HA -0.022 4.327 4.350 -0.001 0.000 0.195 28 E C 0.265 176.822 176.600 -0.072 0.000 1.010 28 E CA 0.132 56.484 56.400 -0.079 0.000 0.856 28 E CB 0.236 29.907 29.700 -0.049 0.000 0.795 28 E HN 0.293 nan 8.360 nan 0.000 0.504 29 R N 1.861 122.322 120.500 -0.066 0.000 2.549 29 R HA -0.073 4.266 4.340 -0.001 0.000 0.336 29 R C -1.646 174.627 176.300 -0.046 0.000 0.891 29 R CA -0.633 55.442 56.100 -0.042 0.000 1.102 29 R CB 0.017 30.306 30.300 -0.019 0.000 0.899 29 R HN 0.055 nan 8.270 nan 0.000 0.407 30 P HA -0.233 nan 4.420 nan 0.000 0.218 30 P C 0.714 178.012 177.300 -0.003 0.000 1.165 30 P CA 1.823 64.914 63.100 -0.015 0.000 0.922 30 P CB 0.125 31.823 31.700 -0.003 0.000 0.794 31 G N -0.398 108.412 108.800 0.017 0.000 3.814 31 G HA2 0.140 4.099 3.960 -0.001 0.000 0.293 31 G HA3 0.140 4.099 3.960 -0.001 0.000 0.293 31 G C -0.209 174.732 174.900 0.068 0.000 1.243 31 G CA -0.458 44.665 45.100 0.039 0.000 1.053 31 G HN 0.319 nan 8.290 nan 0.000 0.562 32 K N 0.440 120.870 120.400 0.050 0.000 2.485 32 K HA 0.320 4.639 4.320 -0.001 0.000 0.277 32 K C -0.270 176.485 176.600 0.258 0.000 0.990 32 K CA 0.285 56.646 56.287 0.123 0.000 0.994 32 K CB 1.222 33.648 32.500 -0.123 0.000 0.906 32 K HN 0.061 nan 8.250 nan 0.000 0.488 33 I N 1.808 122.598 120.570 0.367 0.000 2.474 33 I HA 0.138 4.307 4.170 -0.001 0.000 0.294 33 I C -0.627 175.690 176.117 0.335 0.000 1.005 33 I CA -1.040 60.420 61.300 0.267 0.000 1.113 33 I CB 1.826 39.909 38.000 0.137 0.000 1.289 33 I HN 0.682 nan 8.210 nan 0.000 0.436 34 N N 6.873 125.553 118.700 -0.033 0.000 2.706 34 N HA 0.362 5.101 4.740 -0.001 0.000 0.240 34 N C -0.430 174.923 175.510 -0.262 0.000 1.039 34 N CA -0.385 52.450 53.050 -0.358 0.000 0.888 34 N CB 0.656 38.373 38.487 -1.283 0.000 1.128 34 N HN 0.584 nan 8.380 nan 0.000 0.512 35 L N 1.782 122.964 121.223 -0.068 0.000 2.791 35 L HA 0.421 4.761 4.340 -0.001 0.000 0.239 35 L C 1.625 178.524 176.870 0.049 0.000 1.203 35 L CA -0.329 54.487 54.840 -0.040 0.000 1.002 35 L CB 0.092 42.132 42.059 -0.033 0.000 1.295 35 L HN 0.536 nan 8.230 nan 0.000 0.504 36 G N 0.767 109.588 108.800 0.035 0.000 2.535 36 G HA2 0.019 3.978 3.960 -0.001 0.000 0.210 36 G HA3 0.019 3.978 3.960 -0.001 0.000 0.210 36 G C 0.534 175.505 174.900 0.119 0.000 1.593 36 G CA -0.359 44.788 45.100 0.078 0.000 0.948 36 G HN 0.147 nan 8.290 nan 0.000 0.476 37 I N 1.767 122.382 120.570 0.075 0.000 2.872 37 I HA 0.328 4.497 4.170 -0.001 0.000 0.291 37 I C 1.001 177.236 176.117 0.197 0.000 1.216 37 I CA 0.087 61.457 61.300 0.116 0.000 1.424 37 I CB 0.692 38.709 38.000 0.028 0.000 1.351 37 I HN 0.236 nan 8.210 nan 0.000 0.592 38 G N 8.074 117.055 108.800 0.302 0.000 2.621 38 G HA2 0.459 4.418 3.960 -0.001 0.000 0.306 38 G HA3 0.459 4.418 3.960 -0.001 0.000 0.306 38 G C -0.866 174.058 174.900 0.041 0.000 0.893 38 G CA -0.320 44.950 45.100 0.284 0.000 1.486 38 G HN 0.320 nan 8.290 nan 0.000 0.477 39 L N 1.931 123.144 121.223 -0.017 0.000 2.381 39 L HA 0.406 4.745 4.340 -0.001 0.000 0.268 39 L C -0.621 176.258 176.870 0.014 0.000 0.997 39 L CA -1.890 52.816 54.840 -0.225 0.000 0.818 39 L CB 1.949 43.716 42.059 -0.486 0.000 1.310 39 L HN 0.527 nan 8.230 nan 0.000 0.416 40 Y N 3.142 123.481 120.300 0.065 0.000 2.365 40 Y HA 0.474 5.023 4.550 -0.002 0.000 0.340 40 Y C -1.138 174.797 175.900 0.058 0.000 1.016 40 Y CA -0.082 58.097 58.100 0.132 0.000 1.196 40 Y CB 0.354 38.947 38.460 0.222 0.000 1.167 40 Y HN 0.461 nan 8.280 nan 0.000 0.509 41 Y N 3.852 123.717 120.300 -0.726 0.000 2.534 41 Y HA 0.327 4.877 4.550 -0.001 0.000 0.329 41 Y C -0.008 175.379 175.900 -0.854 0.000 1.154 41 Y CA -1.016 56.754 58.100 -0.550 0.000 1.192 41 Y CB 0.969 39.248 38.460 -0.301 0.000 1.275 41 Y HN 0.669 nan 8.280 nan 0.000 0.491 42 D N -1.151 119.132 120.400 -0.194 0.000 2.392 42 D HA 0.215 4.854 4.640 -0.001 0.000 0.246 42 D C 0.319 176.606 176.300 -0.020 0.000 1.013 42 D CA -0.660 53.286 54.000 -0.091 0.000 0.993 42 D CB 0.812 41.670 40.800 0.098 0.000 1.219 42 D HN 0.603 nan 8.370 nan 0.000 0.538 43 E N -0.783 119.426 120.200 0.015 0.000 2.200 43 E HA -0.303 4.046 4.350 -0.001 0.000 0.211 43 E C 1.591 178.199 176.600 0.014 0.000 1.048 43 E CA 2.728 59.137 56.400 0.015 0.000 0.851 43 E CB -0.298 29.421 29.700 0.031 0.000 0.747 43 E HN 0.740 nan 8.360 nan 0.000 0.462 44 T N -3.047 111.525 114.554 0.030 0.000 3.100 44 T HA 0.203 4.552 4.350 -0.001 0.000 0.253 44 T C 1.339 176.068 174.700 0.047 0.000 1.118 44 T CA 0.532 62.653 62.100 0.035 0.000 1.058 44 T CB 0.323 69.216 68.868 0.042 0.000 0.953 44 T HN 0.350 nan 8.240 nan 0.000 0.515 45 G N 0.847 109.682 108.800 0.059 0.000 2.171 45 G HA2 -0.180 3.779 3.960 -0.001 0.000 0.238 45 G HA3 -0.180 3.779 3.960 -0.001 0.000 0.238 45 G C -0.233 174.800 174.900 0.221 0.000 1.039 45 G CA 0.192 45.364 45.100 0.119 0.000 0.759 45 G HN 0.836 nan 8.290 nan 0.000 0.501 46 K N -0.142 120.343 120.400 0.142 0.000 2.281 46 K HA 0.814 5.133 4.320 -0.001 0.000 0.242 46 K C -0.112 176.475 176.600 -0.022 0.000 0.971 46 K CA -1.478 54.858 56.287 0.082 0.000 0.834 46 K CB 0.899 33.436 32.500 0.063 0.000 1.181 46 K HN 0.175 nan 8.250 nan 0.000 0.435 47 I N 4.841 125.349 120.570 -0.103 0.000 2.377 47 I HA 0.308 4.477 4.170 -0.001 0.000 0.282 47 I C -1.975 174.167 176.117 0.041 0.000 1.091 47 I CA -1.721 59.508 61.300 -0.118 0.000 1.207 47 I CB 0.965 38.799 38.000 -0.276 0.000 1.429 47 I HN 0.448 nan 8.210 nan 0.000 0.491 48 P HA 0.283 nan 4.420 nan 0.000 0.278 48 P C -0.388 176.986 177.300 0.122 0.000 1.258 48 P CA -0.407 62.760 63.100 0.111 0.000 0.811 48 P CB 1.240 33.014 31.700 0.124 0.000 1.063 49 V N 1.805 121.774 119.914 0.092 0.000 2.546 49 V HA 0.088 4.207 4.120 -0.001 0.000 0.284 49 V C 0.859 176.996 176.094 0.072 0.000 1.050 49 V CA -0.601 61.748 62.300 0.081 0.000 0.981 49 V CB 0.499 32.364 31.823 0.070 0.000 0.990 49 V HN 0.367 nan 8.190 nan 0.000 0.474 50 L N 4.067 125.330 121.223 0.066 0.000 2.461 50 L HA 0.175 4.514 4.340 -0.001 0.000 0.272 50 L C 1.711 178.611 176.870 0.050 0.000 1.197 50 L CA 0.978 55.850 54.840 0.054 0.000 0.836 50 L CB 0.795 42.889 42.059 0.058 0.000 1.105 50 L HN 0.815 nan 8.230 nan 0.000 0.477 51 T N 0.040 114.617 114.554 0.038 0.000 2.674 51 T HA -0.179 4.170 4.350 -0.001 0.000 0.265 51 T C 1.900 176.622 174.700 0.037 0.000 1.039 51 T CA 1.776 63.896 62.100 0.034 0.000 1.150 51 T CB -0.152 68.730 68.868 0.022 0.000 0.864 51 T HN 0.861 nan 8.240 nan 0.000 0.427 52 S N 1.294 117.020 115.700 0.043 0.000 2.387 52 S HA -0.139 4.330 4.470 -0.001 0.000 0.230 52 S C 2.121 176.745 174.600 0.041 0.000 1.035 52 S CA 1.307 59.537 58.200 0.050 0.000 1.014 52 S CB -1.051 62.205 63.200 0.094 0.000 0.836 52 S HN 0.299 nan 8.310 nan 0.000 0.466 53 V N 2.284 122.228 119.914 0.051 0.000 2.270 53 V HA -0.115 4.004 4.120 -0.001 0.000 0.245 53 V C 2.856 178.971 176.094 0.035 0.000 1.043 53 V CA 1.802 64.125 62.300 0.039 0.000 1.014 53 V CB -0.594 31.262 31.823 0.055 0.000 0.645 53 V HN 0.397 nan 8.190 nan 0.000 0.447 54 K N 0.472 120.900 120.400 0.046 0.000 2.044 54 K HA -0.209 4.110 4.320 -0.001 0.000 0.210 54 K C 2.105 178.736 176.600 0.051 0.000 1.049 54 K CA 1.581 57.899 56.287 0.051 0.000 0.927 54 K CB -0.460 32.068 32.500 0.047 0.000 0.713 54 K HN 0.478 nan 8.250 nan 0.000 0.443 55 K N 0.338 120.764 120.400 0.043 0.000 2.032 55 K HA -0.109 4.211 4.320 -0.001 0.000 0.209 55 K C 2.222 178.860 176.600 0.063 0.000 1.048 55 K CA 1.400 57.715 56.287 0.047 0.000 0.927 55 K CB -0.214 32.304 32.500 0.031 0.000 0.712 55 K HN 0.127 nan 8.250 nan 0.000 0.441 56 A N 1.522 124.361 122.820 0.032 0.000 1.969 56 A HA -0.179 4.140 4.320 -0.001 0.000 0.218 56 A C 1.906 179.540 177.584 0.083 0.000 1.169 56 A CA 1.326 53.380 52.037 0.028 0.000 0.635 56 A CB -0.297 18.672 19.000 -0.051 0.000 0.810 56 A HN 0.304 nan 8.150 nan 0.000 0.445 57 E N -0.943 119.292 120.200 0.059 0.000 2.106 57 E HA -0.230 4.119 4.350 -0.001 0.000 0.192 57 E C 2.200 178.865 176.600 0.107 0.000 0.984 57 E CA 1.274 57.729 56.400 0.091 0.000 0.806 57 E CB -0.066 29.703 29.700 0.115 0.000 0.750 57 E HN 0.812 nan 8.360 nan 0.000 0.458 58 Q N -0.141 119.716 119.800 0.096 0.000 2.079 58 Q HA -0.223 4.116 4.340 -0.001 0.000 0.200 58 Q C 1.936 177.973 176.000 0.061 0.000 0.974 58 Q CA 1.372 57.217 55.803 0.070 0.000 0.840 58 Q CB -0.277 28.502 28.738 0.067 0.000 0.898 58 Q HN 0.354 nan 8.270 nan 0.000 0.430 59 Y N 0.598 120.897 120.300 -0.002 0.000 2.128 59 Y HA -0.265 4.284 4.550 -0.001 0.000 0.284 59 Y C 1.627 177.521 175.900 -0.010 0.000 1.154 59 Y CA 2.003 60.097 58.100 -0.010 0.000 1.149 59 Y CB -0.176 38.272 38.460 -0.020 0.000 0.976 59 Y HN 0.146 nan 8.280 nan 0.000 0.505 60 L N -0.444 120.808 121.223 0.048 0.000 2.046 60 L HA -0.242 4.097 4.340 -0.001 0.000 0.208 60 L C 2.621 179.440 176.870 -0.085 0.000 1.077 60 L CA 1.203 56.022 54.840 -0.035 0.000 0.747 60 L CB -0.761 41.339 42.059 0.069 0.000 0.896 60 L HN 0.354 nan 8.230 nan 0.000 0.432 61 L N 0.048 121.253 121.223 -0.029 0.000 2.043 61 L HA -0.293 4.047 4.340 -0.001 0.000 0.212 61 L C 2.364 179.184 176.870 -0.083 0.000 1.075 61 L CA 1.870 56.689 54.840 -0.035 0.000 0.752 61 L CB -0.132 41.922 42.059 -0.009 0.000 0.891 61 L HN 0.392 nan 8.230 nan 0.000 0.432 62 E N -1.051 119.070 120.200 -0.132 0.000 2.230 62 E HA -0.083 4.266 4.350 -0.001 0.000 0.192 62 E C 1.600 178.075 176.600 -0.208 0.000 0.987 62 E CA 0.497 56.807 56.400 -0.149 0.000 0.841 62 E CB 0.219 29.833 29.700 -0.144 0.000 0.783 62 E HN 0.562 nan 8.360 nan 0.000 0.481 63 N N 0.313 118.818 118.700 -0.325 0.000 2.414 63 N HA 0.020 4.759 4.740 -0.001 0.000 0.177 63 N C 0.378 175.777 175.510 -0.186 0.000 1.062 63 N CA 0.132 52.985 53.050 -0.329 0.000 0.890 63 N CB 0.600 38.701 38.487 -0.643 0.000 1.070 63 N HN 0.153 nan 8.380 nan 0.000 0.454 67 T N 0.244 114.775 114.554 -0.039 0.000 2.886 67 T HA 0.547 4.896 4.350 -0.001 0.000 0.330 67 T C -1.200 173.470 174.700 -0.051 0.000 1.488 67 T CA -0.564 61.510 62.100 -0.044 0.000 1.054 67 T CB 1.731 70.578 68.868 -0.036 0.000 1.348 67 T HN -0.090 nan 8.240 nan 0.000 0.489 68 K N 2.448 122.804 120.400 -0.073 0.000 2.399 68 K HA 0.303 4.622 4.320 -0.001 0.000 0.204 68 K C 0.811 177.331 176.600 -0.133 0.000 1.023 68 K CA -0.347 55.884 56.287 -0.093 0.000 1.127 68 K CB -0.217 32.218 32.500 -0.108 0.000 0.856 68 K HN 0.613 nan 8.250 nan 0.000 0.514 69 L N 2.410 123.568 121.223 -0.107 0.000 2.769 69 L HA -0.192 4.148 4.340 -0.001 0.000 0.293 69 L C -0.258 176.579 176.870 -0.056 0.000 1.224 69 L CA 0.591 55.376 54.840 -0.092 0.000 0.906 69 L CB 0.006 42.053 42.059 -0.020 0.000 1.193 69 L HN 0.226 nan 8.230 nan 0.000 0.488 70 Y N 4.635 124.935 120.300 -0.001 0.000 2.987 70 Y HA -0.124 4.425 4.550 -0.001 0.000 0.339 70 Y C 0.876 176.776 175.900 0.001 0.000 1.272 70 Y CA 0.329 58.429 58.100 0.001 0.000 1.562 70 Y CB 0.085 38.547 38.460 0.003 0.000 1.253 70 Y HN 0.420 nan 8.280 nan 0.000 0.604 71 L N 2.243 123.576 121.223 0.183 0.000 2.479 71 L HA 0.463 4.802 4.340 -0.001 0.000 0.249 71 L C 1.241 178.167 176.870 0.093 0.000 1.178 71 L CA -0.565 54.334 54.840 0.099 0.000 0.811 71 L CB 0.297 42.388 42.059 0.053 0.000 1.187 71 L HN 0.795 nan 8.230 nan 0.000 0.480 72 G N -0.281 108.557 108.800 0.063 0.000 2.636 72 G HA2 0.238 4.197 3.960 -0.001 0.000 0.246 72 G HA3 0.238 4.197 3.960 -0.001 0.000 0.246 72 G C 0.872 175.795 174.900 0.038 0.000 1.216 72 G CA -0.437 44.691 45.100 0.047 0.000 0.854 72 G HN 0.642 nan 8.290 nan 0.000 0.572 73 I N 0.340 120.912 120.570 0.003 0.000 2.315 73 I HA -0.180 3.990 4.170 -0.001 0.000 0.251 73 I C 1.938 178.061 176.117 0.009 0.000 1.125 73 I CA 1.587 62.871 61.300 -0.027 0.000 1.392 73 I CB -0.016 37.926 38.000 -0.095 0.000 1.065 73 I HN 0.569 nan 8.210 nan 0.000 0.424 74 D N 0.134 120.562 120.400 0.047 0.000 2.340 74 D HA 0.189 4.829 4.640 -0.001 0.000 0.220 74 D C 1.157 177.533 176.300 0.128 0.000 1.039 74 D CA 0.788 54.866 54.000 0.130 0.000 0.866 74 D CB -0.260 40.711 40.800 0.284 0.000 0.913 74 D HN 0.361 nan 8.370 nan 0.000 0.523 75 G N 0.974 109.819 108.800 0.074 0.000 2.542 75 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.235 75 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.235 75 G C -0.440 174.481 174.900 0.035 0.000 1.286 75 G CA -0.352 44.761 45.100 0.021 0.000 0.904 75 G HN 0.295 nan 8.290 nan 0.000 0.577 76 I N 3.404 123.968 120.570 -0.011 0.000 2.494 76 I HA 0.162 4.331 4.170 -0.001 0.000 0.289 76 I C -0.674 175.516 176.117 0.122 0.000 1.106 76 I CA -1.262 60.061 61.300 0.038 0.000 1.369 76 I CB 1.330 39.331 38.000 0.000 0.000 1.410 76 I HN 0.324 nan 8.210 nan 0.000 0.523 77 P HA -0.224 nan 4.420 nan 0.000 0.215 77 P C 1.412 178.761 177.300 0.082 0.000 1.157 77 P CA 1.154 64.307 63.100 0.088 0.000 0.874 77 P CB 0.290 32.025 31.700 0.058 0.000 0.790 78 E N -0.888 119.351 120.200 0.065 0.000 2.118 78 E HA -0.196 4.153 4.350 -0.001 0.000 0.195 78 E C 1.800 178.416 176.600 0.027 0.000 0.992 78 E CA 0.921 57.339 56.400 0.029 0.000 0.804 78 E CB -1.145 28.561 29.700 0.011 0.000 0.741 78 E HN 0.174 nan 8.360 nan 0.000 0.458 79 F N -0.062 119.836 119.950 -0.086 0.000 2.134 79 F HA -0.008 4.518 4.527 -0.001 0.000 0.299 79 F C 1.984 177.745 175.800 -0.064 0.000 1.097 79 F CA 1.952 59.881 58.000 -0.119 0.000 1.264 79 F CB -0.654 38.278 39.000 -0.114 0.000 1.001 79 F HN 0.104 nan 8.300 nan 0.000 0.479 80 G N -0.057 108.825 108.800 0.137 0.000 2.433 80 G HA2 -0.293 3.666 3.960 -0.001 0.000 0.216 80 G HA3 -0.293 3.666 3.960 -0.001 0.000 0.216 80 G C 1.740 176.595 174.900 -0.075 0.000 1.186 80 G CA 0.826 45.952 45.100 0.043 0.000 0.779 80 G HN 0.284 nan 8.290 nan 0.000 0.543 81 R N -0.562 119.910 120.500 -0.047 0.000 2.096 81 R HA -0.097 4.243 4.340 -0.001 0.000 0.240 81 R C 2.730 178.972 176.300 -0.098 0.000 1.139 81 R CA 1.837 57.906 56.100 -0.052 0.000 0.952 81 R CB -0.911 29.368 30.300 -0.035 0.000 0.854 81 R HN 0.403 nan 8.270 nan 0.000 0.436 82 C N -0.913 118.291 119.300 -0.160 0.000 2.429 82 C HA -0.081 4.378 4.460 -0.001 0.000 0.277 82 C C 2.555 177.401 174.990 -0.240 0.000 1.262 82 C CA 1.393 60.288 59.018 -0.204 0.000 1.733 82 C CB -0.874 26.707 27.740 -0.265 0.000 2.010 82 C HN 0.597 nan 8.230 nan 0.000 0.483 83 T N 0.470 114.814 114.554 -0.350 0.000 2.746 83 T HA -0.210 4.139 4.350 -0.001 0.000 0.267 83 T C 1.799 176.350 174.700 -0.249 0.000 1.039 83 T CA 1.406 63.327 62.100 -0.299 0.000 1.142 83 T CB -0.322 68.312 68.868 -0.390 0.000 0.866 83 T HN 0.647 nan 8.240 nan 0.000 0.444 84 Q N 0.639 120.340 119.800 -0.165 0.000 2.096 84 Q HA -0.139 4.200 4.340 -0.001 0.000 0.204 84 Q C 2.408 178.356 176.000 -0.087 0.000 0.982 84 Q CA 1.302 57.056 55.803 -0.082 0.000 0.850 84 Q CB -0.154 28.653 28.738 0.115 0.000 0.901 84 Q HN 0.634 nan 8.270 nan 0.000 0.422 85 E N 0.263 120.423 120.200 -0.067 0.000 2.106 85 E HA -0.177 4.172 4.350 -0.001 0.000 0.192 85 E C 1.917 178.473 176.600 -0.074 0.000 0.984 85 E CA 0.589 56.966 56.400 -0.038 0.000 0.806 85 E CB -0.010 29.672 29.700 -0.031 0.000 0.750 85 E HN 0.153 nan 8.360 nan 0.000 0.458 86 L N 0.736 121.887 121.223 -0.120 0.000 2.093 86 L HA -0.134 4.205 4.340 -0.001 0.000 0.208 86 L C 1.924 178.672 176.870 -0.202 0.000 1.085 86 L CA 1.244 56.015 54.840 -0.116 0.000 0.755 86 L CB -0.354 41.645 42.059 -0.100 0.000 0.904 86 L HN 0.072 nan 8.230 nan 0.000 0.435 87 L N -1.500 119.503 121.223 -0.367 0.000 1.950 87 L HA -0.116 4.223 4.340 -0.001 0.000 0.210 87 L C 2.210 178.794 176.870 -0.477 0.000 1.079 87 L CA 1.964 56.447 54.840 -0.595 0.000 0.754 87 L CB -1.271 40.037 42.059 -1.251 0.000 0.889 87 L HN 0.136 nan 8.230 nan 0.000 0.433 88 F N -0.409 119.520 119.950 -0.036 0.000 2.512 88 F HA 0.436 4.962 4.527 -0.001 0.000 0.296 88 F C 1.334 177.117 175.800 -0.028 0.000 1.110 88 F CA 0.262 58.239 58.000 -0.038 0.000 1.446 88 F CB -0.977 37.998 39.000 -0.041 0.000 1.092 88 F HN 0.187 nan 8.300 nan 0.000 0.554 89 G N 0.416 109.277 108.800 0.102 0.000 2.697 89 G HA2 -0.160 3.799 3.960 -0.001 0.000 0.686 89 G HA3 -0.160 3.799 3.960 -0.001 0.000 0.686 89 G C 0.538 175.474 174.900 0.059 0.000 1.179 89 G CA -0.531 44.605 45.100 0.060 0.000 0.765 89 G HN -0.027 nan 8.290 nan 0.000 0.649 90 K N 0.449 120.867 120.400 0.030 0.000 2.056 90 K HA -0.230 4.089 4.320 -0.001 0.000 0.225 90 K C 2.068 178.683 176.600 0.024 0.000 1.053 90 K CA 2.387 58.686 56.287 0.021 0.000 0.966 90 K CB -0.418 32.088 32.500 0.010 0.000 0.735 90 K HN 1.246 nan 8.250 nan 0.000 0.455 91 G N 1.402 110.216 108.800 0.022 0.000 4.291 91 G HA2 0.126 4.085 3.960 -0.001 0.000 0.304 91 G HA3 0.126 4.085 3.960 -0.001 0.000 0.304 91 G C -0.131 174.780 174.900 0.017 0.000 1.264 91 G CA -0.261 44.848 45.100 0.016 0.000 1.039 91 G HN 0.220 nan 8.290 nan 0.000 0.578 92 S N -0.078 115.642 115.700 0.033 0.000 2.579 92 S HA 0.437 4.906 4.470 -0.001 0.000 0.275 92 S C 1.890 176.482 174.600 -0.013 0.000 1.345 92 S CA 0.405 58.617 58.200 0.019 0.000 1.031 92 S CB 1.273 64.501 63.200 0.046 0.000 0.892 92 S HN 0.604 nan 8.310 nan 0.000 0.529 93 A N 3.707 126.507 122.820 -0.033 0.000 1.930 93 A HA 0.022 4.341 4.320 -0.001 0.000 0.217 93 A C 2.097 179.638 177.584 -0.072 0.000 1.175 93 A CA 1.325 53.335 52.037 -0.044 0.000 0.627 93 A CB -0.949 18.024 19.000 -0.045 0.000 0.815 93 A HN 0.839 nan 8.150 nan 0.000 0.443 94 L N -0.350 120.798 121.223 -0.126 0.000 2.129 94 L HA -0.213 4.126 4.340 -0.001 0.000 0.212 94 L C 2.247 179.034 176.870 -0.139 0.000 1.087 94 L CA 1.660 56.376 54.840 -0.207 0.000 0.757 94 L CB -0.296 41.479 42.059 -0.474 0.000 0.896 94 L HN 0.453 nan 8.230 nan 0.000 0.434 95 I N -1.550 118.976 120.570 -0.073 0.000 2.585 95 I HA -0.121 4.048 4.170 -0.001 0.000 0.254 95 I C 1.795 177.897 176.117 -0.025 0.000 1.129 95 I CA 0.363 61.648 61.300 -0.025 0.000 1.455 95 I CB -0.299 37.715 38.000 0.023 0.000 1.111 95 I HN 0.247 nan 8.210 nan 0.000 0.433 96 N N 0.944 119.629 118.700 -0.026 0.000 2.270 96 N HA -0.117 4.622 4.740 -0.001 0.000 0.181 96 N C 0.842 176.337 175.510 -0.026 0.000 1.016 96 N CA 1.107 54.144 53.050 -0.021 0.000 0.870 96 N CB -0.300 38.178 38.487 -0.016 0.000 0.979 96 N HN 0.289 nan 8.380 nan 0.000 0.431 97 D N 0.909 121.286 120.400 -0.037 0.000 2.319 97 D HA 0.016 4.655 4.640 -0.001 0.000 0.230 97 D C 0.247 176.524 176.300 -0.039 0.000 1.094 97 D CA 0.107 54.086 54.000 -0.036 0.000 0.856 97 D CB 0.010 40.786 40.800 -0.040 0.000 0.915 97 D HN -0.150 nan 8.370 nan 0.000 0.517 98 K N 0.398 120.773 120.400 -0.042 0.000 3.012 98 K HA -0.237 4.082 4.320 -0.001 0.000 0.259 98 K C 0.709 177.274 176.600 -0.058 0.000 0.989 98 K CA 0.183 56.443 56.287 -0.045 0.000 0.728 98 K CB -1.253 31.228 32.500 -0.031 0.000 1.260 98 K HN 0.347 nan 8.250 nan 0.000 0.480 99 R N -1.178 119.276 120.500 -0.076 0.000 2.310 99 R HA 0.158 4.498 4.340 -0.001 0.000 0.202 99 R C 0.466 176.701 176.300 -0.108 0.000 0.933 99 R CA 0.809 56.858 56.100 -0.085 0.000 1.054 99 R CB 0.570 30.807 30.300 -0.104 0.000 0.985 99 R HN 0.236 nan 8.270 nan 0.000 0.489 100 A N 1.449 124.198 122.820 -0.118 0.000 2.374 100 A HA 0.568 4.887 4.320 -0.001 0.000 0.305 100 A C -0.683 176.805 177.584 -0.159 0.000 1.053 100 A CA -0.822 51.150 52.037 -0.109 0.000 0.726 100 A CB 1.324 20.292 19.000 -0.053 0.000 1.229 100 A HN -0.002 nan 8.150 nan 0.000 0.431 101 R N 1.670 121.992 120.500 -0.297 0.000 2.494 101 R HA 0.634 4.973 4.340 -0.001 0.000 0.305 101 R C -1.080 174.920 176.300 -0.500 0.000 0.959 101 R CA -0.338 55.373 56.100 -0.648 0.000 0.864 101 R CB 1.770 31.199 30.300 -1.451 0.000 1.159 101 R HN 0.663 nan 8.270 nan 0.000 0.446 102 T N 1.184 115.577 114.554 -0.268 0.000 2.823 102 T HA 0.585 4.934 4.350 -0.001 0.000 0.279 102 T C -0.458 174.386 174.700 0.240 0.000 0.998 102 T CA -0.568 61.548 62.100 0.026 0.000 0.994 102 T CB 1.862 70.767 68.868 0.063 0.000 0.960 102 T HN 0.633 nan 8.240 nan 0.000 0.448 103 A N 2.834 125.872 122.820 0.362 0.000 2.318 103 A HA 0.599 4.918 4.320 -0.001 0.000 0.324 103 A C -0.031 177.725 177.584 0.286 0.000 1.170 103 A CA -0.749 51.511 52.037 0.371 0.000 0.810 103 A CB 0.892 20.071 19.000 0.299 0.000 1.198 103 A HN 0.779 nan 8.150 nan 0.000 0.484 104 Q N 1.595 121.532 119.800 0.227 0.000 2.304 104 Q HA 0.459 4.798 4.340 -0.001 0.000 0.260 104 Q C -0.150 175.890 176.000 0.066 0.000 0.965 104 Q CA 0.242 56.104 55.803 0.098 0.000 0.898 104 Q CB 0.579 29.177 28.738 -0.234 0.000 1.196 104 Q HN 0.845 nan 8.270 nan 0.000 0.402 105 T N 0.543 115.126 114.554 0.048 0.000 2.887 105 T HA 0.566 4.915 4.350 -0.001 0.000 0.292 105 T C -2.714 171.926 174.700 -0.099 0.000 1.087 105 T CA -2.102 60.016 62.100 0.030 0.000 1.009 105 T CB 1.662 70.593 68.868 0.105 0.000 1.203 105 T HN 0.425 nan 8.240 nan 0.000 0.518 106 P HA 0.432 nan 4.420 nan 0.000 0.238 106 P C 0.630 177.866 177.300 -0.107 0.000 1.794 106 P CA 0.755 63.714 63.100 -0.236 0.000 1.088 106 P CB -0.342 31.113 31.700 -0.409 0.000 1.923 107 G N 1.671 110.440 108.800 -0.051 0.000 2.712 107 G HA2 -0.072 3.887 3.960 -0.001 0.000 0.683 107 G HA3 -0.072 3.887 3.960 -0.001 0.000 0.683 107 G C 0.927 175.831 174.900 0.005 0.000 1.320 107 G CA -0.517 44.576 45.100 -0.011 0.000 0.847 107 G HN 0.379 nan 8.290 nan 0.000 0.553 108 G N -0.487 108.308 108.800 -0.009 0.000 2.408 108 G HA2 0.100 4.059 3.960 -0.001 0.000 0.217 108 G HA3 0.100 4.059 3.960 -0.001 0.000 0.217 108 G C 2.120 177.055 174.900 0.058 0.000 1.150 108 G CA 2.157 47.254 45.100 -0.005 0.000 0.776 108 G HN 1.320 nan 8.290 nan 0.000 0.542 109 S N 0.807 116.557 115.700 0.082 0.000 2.392 109 S HA -0.146 4.323 4.470 -0.001 0.000 0.225 109 S C 2.529 177.181 174.600 0.086 0.000 1.041 109 S CA 1.547 59.831 58.200 0.139 0.000 1.100 109 S CB -0.955 62.329 63.200 0.140 0.000 1.029 109 S HN 0.528 nan 8.310 nan 0.000 0.424 110 G N 0.739 109.571 108.800 0.053 0.000 2.479 110 G HA2 -0.027 3.933 3.960 -0.001 0.000 0.220 110 G HA3 -0.027 3.933 3.960 -0.001 0.000 0.220 110 G C 1.389 176.354 174.900 0.108 0.000 1.115 110 G CA 0.978 46.116 45.100 0.063 0.000 0.757 110 G HN 0.595 nan 8.290 nan 0.000 0.560 111 A N -0.113 122.766 122.820 0.097 0.000 2.014 111 A HA 0.253 4.572 4.320 -0.001 0.000 0.218 111 A C 2.238 179.900 177.584 0.130 0.000 1.163 111 A CA 0.892 53.001 52.037 0.121 0.000 0.652 111 A CB -0.184 18.882 19.000 0.109 0.000 0.808 111 A HN 0.298 nan 8.150 nan 0.000 0.449 112 L N -0.552 120.736 121.223 0.108 0.000 2.044 112 L HA 0.020 4.360 4.340 -0.001 0.000 0.205 112 L C 2.424 179.289 176.870 -0.008 0.000 1.075 112 L CA 1.809 56.695 54.840 0.076 0.000 0.747 112 L CB -0.884 41.206 42.059 0.050 0.000 0.903 112 L HN 0.395 nan 8.230 nan 0.000 0.435 113 R N -0.695 119.797 120.500 -0.014 0.000 2.120 113 R HA -0.089 4.250 4.340 -0.001 0.000 0.234 113 R C 2.021 178.369 176.300 0.080 0.000 1.123 113 R CA 1.505 57.602 56.100 -0.005 0.000 0.975 113 R CB -0.828 29.486 30.300 0.023 0.000 0.866 113 R HN 0.216 nan 8.270 nan 0.000 0.446 114 V N 0.337 120.323 119.914 0.119 0.000 2.453 114 V HA -0.065 4.054 4.120 -0.001 0.000 0.247 114 V C 2.251 178.455 176.094 0.183 0.000 1.048 114 V CA 1.646 64.026 62.300 0.133 0.000 1.049 114 V CB -0.613 31.286 31.823 0.126 0.000 0.672 114 V HN 0.488 nan 8.190 nan 0.000 0.457 115 A N -0.051 122.894 122.820 0.208 0.000 1.930 115 A HA -0.026 4.293 4.320 -0.001 0.000 0.217 115 A C 2.401 180.211 177.584 0.377 0.000 1.175 115 A CA 1.810 54.034 52.037 0.311 0.000 0.627 115 A CB -0.645 18.539 19.000 0.307 0.000 0.815 115 A HN 0.524 nan 8.150 nan 0.000 0.443 116 A N 0.486 123.490 122.820 0.307 0.000 1.835 116 A HA -0.213 4.106 4.320 -0.001 0.000 0.215 116 A C 1.776 179.494 177.584 0.222 0.000 1.199 116 A CA 1.942 54.165 52.037 0.311 0.000 0.615 116 A CB -0.819 18.280 19.000 0.165 0.000 0.838 116 A HN 0.421 nan 8.150 nan 0.000 0.444 117 D N -1.118 119.383 120.400 0.169 0.000 2.190 117 D HA -0.156 4.483 4.640 -0.001 0.000 0.200 117 D C 1.570 177.970 176.300 0.167 0.000 0.992 117 D CA 1.445 55.524 54.000 0.132 0.000 0.854 117 D CB -0.433 40.428 40.800 0.102 0.000 0.936 117 D HN 0.517 nan 8.370 nan 0.000 0.462 118 F N 0.911 120.904 119.950 0.072 0.000 2.113 118 F HA -0.160 4.366 4.527 -0.001 0.000 0.297 118 F C 1.942 177.789 175.800 0.079 0.000 1.103 118 F CA 0.833 58.873 58.000 0.066 0.000 1.248 118 F CB -0.312 38.734 39.000 0.076 0.000 0.999 118 F HN -0.144 nan 8.300 nan 0.000 0.475 119 L N 1.157 122.366 121.223 -0.023 0.000 1.970 119 L HA -0.142 4.197 4.340 -0.001 0.000 0.212 119 L C 2.821 179.639 176.870 -0.087 0.000 1.071 119 L CA 2.170 56.947 54.840 -0.106 0.000 0.751 119 L CB -1.845 40.281 42.059 0.112 0.000 0.889 119 L HN 0.295 nan 8.230 nan 0.000 0.432 120 A N -1.428 121.397 122.820 0.008 0.000 1.948 120 A HA -0.231 4.088 4.320 -0.001 0.000 0.220 120 A C 2.327 179.895 177.584 -0.027 0.000 1.177 120 A CA 1.811 53.853 52.037 0.008 0.000 0.636 120 A CB -0.385 18.643 19.000 0.046 0.000 0.815 120 A HN 0.351 nan 8.150 nan 0.000 0.449 121 K N -1.071 119.302 120.400 -0.045 0.000 2.323 121 K HA 0.080 4.399 4.320 -0.001 0.000 0.197 121 K C 0.292 176.835 176.600 -0.095 0.000 1.043 121 K CA 0.458 56.716 56.287 -0.048 0.000 0.997 121 K CB 0.108 32.599 32.500 -0.016 0.000 0.807 121 K HN 0.503 nan 8.250 nan 0.000 0.497 122 N N 0.024 118.603 118.700 -0.201 0.000 2.194 122 N HA 0.004 4.743 4.740 -0.001 0.000 0.231 122 N C 0.505 175.878 175.510 -0.229 0.000 1.247 122 N CA 0.345 53.254 53.050 -0.234 0.000 0.884 122 N CB 1.512 39.769 38.487 -0.385 0.000 1.146 122 N HN 0.146 nan 8.380 nan 0.000 0.516 123 T N -3.461 110.986 114.554 -0.178 0.000 3.186 123 T HA 0.036 4.385 4.350 -0.001 0.000 0.292 123 T C 0.670 175.343 174.700 -0.045 0.000 0.915 123 T CA 0.700 62.729 62.100 -0.118 0.000 0.902 123 T CB -0.130 68.656 68.868 -0.137 0.000 1.192 123 T HN 0.043 nan 8.240 nan 0.000 0.563 124 S N -0.273 115.407 115.700 -0.033 0.000 3.228 124 S HA -0.170 4.299 4.470 -0.001 0.000 0.282 124 S C 0.040 174.648 174.600 0.013 0.000 1.286 124 S CA 0.406 58.604 58.200 -0.004 0.000 1.066 124 S CB -2.610 60.593 63.200 0.006 0.000 1.277 124 S HN 0.791 nan 8.310 nan 0.000 0.661 125 V N 3.180 123.100 119.914 0.010 0.000 2.614 125 V HA 0.529 4.648 4.120 -0.001 0.000 0.291 125 V C 0.616 176.722 176.094 0.020 0.000 1.049 125 V CA 0.568 62.887 62.300 0.031 0.000 1.038 125 V CB 1.500 33.344 31.823 0.034 0.000 0.980 125 V HN 0.641 nan 8.190 nan 0.000 0.481 134 W N 4.517 125.653 121.300 -0.274 0.000 2.314 134 W HA 0.702 5.361 4.660 -0.001 0.000 0.310 134 W C 0.082 176.548 176.519 -0.089 0.000 1.075 134 W CA -0.641 56.612 57.345 -0.154 0.000 1.253 134 W CB 1.804 31.155 29.460 -0.182 0.000 1.238 134 W HN 0.577 nan 8.180 nan 0.000 0.440 135 V N 1.472 121.376 119.914 -0.017 0.000 2.769 135 V HA 0.733 4.853 4.120 -0.001 0.000 0.312 135 V C 0.401 176.135 176.094 -0.601 0.000 1.058 135 V CA -1.100 61.100 62.300 -0.166 0.000 0.952 135 V CB 1.174 32.940 31.823 -0.096 0.000 1.019 135 V HN 0.513 nan 8.190 nan 0.000 0.445 136 S N 2.745 117.915 115.700 -0.883 0.000 2.589 136 S HA 0.239 4.708 4.470 -0.001 0.000 0.265 136 S C -0.005 174.322 174.600 -0.456 0.000 1.342 136 S CA -0.190 57.305 58.200 -1.176 0.000 1.005 136 S CB 0.451 63.052 63.200 -0.999 0.000 0.909 136 S HN 1.277 nan 8.310 nan 0.000 0.555 137 N N 1.714 120.232 118.700 -0.304 0.000 2.461 137 N HA 0.402 5.141 4.740 -0.001 0.000 0.284 137 N C -3.211 172.336 175.510 0.062 0.000 1.049 137 N CA -1.776 51.231 53.050 -0.072 0.000 0.889 137 N CB 2.065 40.535 38.487 -0.028 0.000 1.365 137 N HN 0.424 nan 8.380 nan 0.000 0.499 138 P HA 0.302 nan 4.420 nan 0.000 0.276 138 P C -0.665 176.625 177.300 -0.016 0.000 1.261 138 P CA -0.317 62.795 63.100 0.021 0.000 0.800 138 P CB 1.422 33.123 31.700 0.000 0.000 1.066 139 S N -1.292 114.405 115.700 -0.006 0.000 2.720 139 S HA 0.460 4.929 4.470 -0.001 0.000 0.287 139 S C -1.847 172.814 174.600 0.102 0.000 1.168 139 S CA -0.601 57.637 58.200 0.063 0.000 0.832 139 S CB 0.278 63.591 63.200 0.189 0.000 1.166 139 S HN 0.431 nan 8.310 nan 0.000 0.493 140 W N 4.081 125.356 121.300 -0.042 0.000 2.529 140 W HA 0.354 5.013 4.660 -0.002 0.000 0.319 140 W C -2.063 174.348 176.519 -0.181 0.000 1.362 140 W CA -1.844 55.371 57.345 -0.217 0.000 1.348 140 W CB 0.205 29.381 29.460 -0.473 0.000 1.403 140 W HN 0.519 nan 8.180 nan 0.000 0.519 141 P HA -0.349 nan 4.420 nan 0.000 0.218 141 P C 1.307 178.276 177.300 -0.553 0.000 1.154 141 P CA 2.000 64.850 63.100 -0.417 0.000 0.872 141 P CB 0.050 31.549 31.700 -0.336 0.000 0.790 142 N N -1.686 116.344 118.700 -1.117 0.000 2.573 142 N HA -0.142 4.597 4.740 -0.001 0.000 0.187 142 N C 1.581 176.779 175.510 -0.519 0.000 1.107 142 N CA 0.295 52.770 53.050 -0.959 0.000 0.918 142 N CB -0.189 37.462 38.487 -1.392 0.000 0.966 142 N HN 0.379 nan 8.380 nan 0.000 0.448 143 H N -0.101 118.781 119.070 -0.313 0.000 2.326 143 H HA -0.074 4.481 4.556 -0.001 0.000 0.301 143 H C 1.934 177.320 175.328 0.096 0.000 1.081 143 H CA 1.056 57.129 56.048 0.042 0.000 1.334 143 H CB 0.339 30.255 29.762 0.256 0.000 1.385 143 H HN -0.033 nan 8.280 nan 0.000 0.504 144 K N 0.595 121.087 120.400 0.153 0.000 2.020 144 K HA -0.133 4.186 4.320 -0.001 0.000 0.212 144 K C 2.385 179.010 176.600 0.041 0.000 1.050 144 K CA 1.767 58.112 56.287 0.098 0.000 0.929 144 K CB -0.331 32.172 32.500 0.005 0.000 0.714 144 K HN 0.140 nan 8.250 nan 0.000 0.443 145 S N 0.328 115.995 115.700 -0.054 0.000 2.370 145 S HA -0.180 4.289 4.470 -0.001 0.000 0.226 145 S C 2.093 176.633 174.600 -0.101 0.000 1.033 145 S CA 1.492 59.642 58.200 -0.083 0.000 1.011 145 S CB -0.971 62.151 63.200 -0.130 0.000 0.852 145 S HN 0.293 nan 8.310 nan 0.000 0.457 146 V N 0.233 120.035 119.914 -0.187 0.000 2.220 146 V HA -0.176 3.944 4.120 -0.001 0.000 0.246 146 V C 1.982 177.911 176.094 -0.275 0.000 1.049 146 V CA 1.712 63.827 62.300 -0.309 0.000 1.003 146 V CB -1.583 29.951 31.823 -0.481 0.000 0.634 146 V HN 0.316 nan 8.190 nan 0.000 0.444 147 F N 1.879 121.846 119.950 0.028 0.000 2.120 147 F HA -0.137 4.390 4.527 -0.001 0.000 0.300 147 F C 2.493 178.289 175.800 -0.007 0.000 1.095 147 F CA 2.182 60.189 58.000 0.011 0.000 1.249 147 F CB -1.467 37.529 39.000 -0.007 0.000 0.995 147 F HN 0.222 nan 8.300 nan 0.000 0.480 148 N N -0.110 118.672 118.700 0.137 0.000 2.120 148 N HA -0.143 4.596 4.740 -0.001 0.000 0.188 148 N C 1.972 177.502 175.510 0.033 0.000 1.024 148 N CA 1.506 54.592 53.050 0.060 0.000 0.852 148 N CB -0.707 37.793 38.487 0.022 0.000 1.003 148 N HN 0.121 nan 8.380 nan 0.000 0.424 149 S N 0.081 115.788 115.700 0.011 0.000 2.419 149 S HA -0.003 4.466 4.470 -0.001 0.000 0.233 149 S C 1.634 176.245 174.600 0.018 0.000 1.016 149 S CA 0.902 59.102 58.200 -0.000 0.000 0.974 149 S CB -0.098 63.088 63.200 -0.023 0.000 0.786 149 S HN 0.494 nan 8.310 nan 0.000 0.492 150 A N 0.344 123.190 122.820 0.043 0.000 2.307 150 A HA 0.522 4.842 4.320 -0.001 0.000 0.218 150 A C 1.404 179.024 177.584 0.060 0.000 1.228 150 A CA 0.458 52.532 52.037 0.062 0.000 0.857 150 A CB -0.737 18.328 19.000 0.109 0.000 0.897 150 A HN 0.768 nan 8.150 nan 0.000 0.495 151 G N -1.088 107.740 108.800 0.047 0.000 2.246 151 G HA2 -0.171 3.788 3.960 -0.001 0.000 0.273 151 G HA3 -0.171 3.788 3.960 -0.001 0.000 0.273 151 G C -0.166 174.756 174.900 0.038 0.000 1.055 151 G CA 0.577 45.696 45.100 0.033 0.000 0.851 151 G HN 0.395 nan 8.290 nan 0.000 0.500 155 V N 4.805 124.607 119.914 -0.186 0.000 2.350 155 V HA 0.497 4.616 4.120 -0.001 0.000 0.276 155 V C 0.277 176.154 176.094 -0.361 0.000 1.028 155 V CA -0.315 61.836 62.300 -0.249 0.000 0.860 155 V CB 1.182 32.942 31.823 -0.105 0.000 0.990 155 V HN 0.517 nan 8.190 nan 0.000 0.453 156 R N 3.124 123.252 120.500 -0.621 0.000 2.787 156 R HA 0.681 5.020 4.340 -0.001 0.000 0.271 156 R C -0.758 175.256 176.300 -0.477 0.000 0.993 156 R CA -0.826 54.791 56.100 -0.805 0.000 0.993 156 R CB 2.378 31.619 30.300 -1.764 0.000 1.155 156 R HN 0.692 nan 8.270 nan 0.000 0.486 157 E N 1.039 121.105 120.200 -0.224 0.000 2.212 157 E HA 0.256 4.606 4.350 -0.001 0.000 0.268 157 E C -1.463 175.293 176.600 0.261 0.000 0.902 157 E CA -0.724 55.665 56.400 -0.018 0.000 0.779 157 E CB 1.831 31.491 29.700 -0.067 0.000 1.172 157 E HN 0.409 nan 8.360 nan 0.000 0.409 158 Y N -0.209 120.209 120.300 0.196 0.000 2.429 158 Y HA 0.759 5.308 4.550 -0.001 0.000 0.342 158 Y C -0.202 175.773 175.900 0.126 0.000 1.004 158 Y CA -1.568 56.631 58.100 0.165 0.000 1.075 158 Y CB 0.749 39.249 38.460 0.067 0.000 1.214 158 Y HN 0.516 nan 8.280 nan 0.000 0.455 159 A N 2.432 125.418 122.820 0.276 0.000 2.466 159 A HA 0.317 4.637 4.320 -0.001 0.000 0.238 159 A C -0.579 177.206 177.584 0.335 0.000 1.074 159 A CA 0.533 52.695 52.037 0.209 0.000 0.774 159 A CB -0.097 18.984 19.000 0.135 0.000 1.015 159 A HN 1.102 nan 8.150 nan 0.000 0.498 160 Y N -0.435 119.911 120.300 0.077 0.000 2.623 160 Y HA 0.190 4.739 4.550 -0.001 0.000 0.274 160 Y C -0.570 175.394 175.900 0.106 0.000 1.126 160 Y CA 0.080 58.227 58.100 0.077 0.000 1.061 160 Y CB 0.137 38.573 38.460 -0.040 0.000 1.370 160 Y HN 0.685 nan 8.280 nan 0.000 0.537 161 Y N 2.603 122.906 120.300 0.005 0.000 2.352 161 Y HA 0.470 5.019 4.550 -0.001 0.000 0.339 161 Y C -0.715 175.165 175.900 -0.033 0.000 0.992 161 Y CA -1.610 56.455 58.100 -0.058 0.000 1.100 161 Y CB 0.984 39.497 38.460 0.088 0.000 1.192 161 Y HN 0.084 nan 8.280 nan 0.000 0.458 162 D N 5.204 125.251 120.400 -0.590 0.000 2.453 162 D HA 0.244 4.883 4.640 -0.001 0.000 0.223 162 D C 0.863 176.526 176.300 -1.061 0.000 1.183 162 D CA 0.493 54.126 54.000 -0.611 0.000 0.933 162 D CB 0.921 41.496 40.800 -0.376 0.000 1.038 162 D HN 0.834 nan 8.370 nan 0.000 0.513 163 A N 4.171 126.458 122.820 -0.888 0.000 1.917 163 A HA -0.250 4.069 4.320 -0.001 0.000 0.219 163 A C 1.947 179.095 177.584 -0.728 0.000 1.182 163 A CA 1.566 53.170 52.037 -0.721 0.000 0.633 163 A CB -0.305 18.533 19.000 -0.269 0.000 0.819 163 A HN 0.643 nan 8.150 nan 0.000 0.448 164 E N -0.118 119.768 120.200 -0.523 0.000 2.007 164 E HA -0.212 4.137 4.350 -0.001 0.000 0.194 164 E C 1.516 177.780 176.600 -0.559 0.000 0.999 164 E CA 1.583 57.713 56.400 -0.449 0.000 0.811 164 E CB -0.288 29.256 29.700 -0.259 0.000 0.762 164 E HN 0.988 nan 8.360 nan 0.000 0.450 165 N N -0.720 117.713 118.700 -0.446 0.000 2.322 165 N HA 0.005 4.744 4.740 -0.001 0.000 0.194 165 N C -0.855 174.516 175.510 -0.233 0.000 1.126 165 N CA -0.028 52.845 53.050 -0.295 0.000 0.845 165 N CB 0.108 38.527 38.487 -0.113 0.000 0.976 165 N HN 0.134 nan 8.380 nan 0.000 0.475 166 H N -0.402 118.459 119.070 -0.349 0.000 2.882 166 H HA -0.159 4.396 4.556 -0.001 0.000 0.340 166 H C -0.442 174.905 175.328 0.031 0.000 1.195 166 H CA 1.092 57.019 56.048 -0.202 0.000 1.152 166 H CB -1.640 27.900 29.762 -0.370 0.000 1.590 166 H HN 0.501 nan 8.280 nan 0.000 0.421 167 T N -0.699 113.850 114.554 -0.008 0.000 2.677 167 T HA 0.339 4.689 4.350 -0.001 0.000 0.305 167 T C -1.228 173.469 174.700 -0.004 0.000 1.569 167 T CA -0.950 61.200 62.100 0.084 0.000 0.984 167 T CB 1.135 70.016 68.868 0.022 0.000 1.629 167 T HN 0.295 nan 8.240 nan 0.000 0.494 168 L N 2.647 123.829 121.223 -0.068 0.000 2.361 168 L HA 0.337 4.676 4.340 -0.001 0.000 0.278 168 L C -0.383 176.393 176.870 -0.157 0.000 1.113 168 L CA -0.036 54.657 54.840 -0.246 0.000 0.849 168 L CB 0.582 42.485 42.059 -0.260 0.000 1.155 168 L HN 0.709 nan 8.230 nan 0.000 0.452 169 D N 4.226 124.525 120.400 -0.168 0.000 2.468 169 D HA -0.007 4.632 4.640 -0.001 0.000 0.218 169 D C 0.825 177.137 176.300 0.020 0.000 1.155 169 D CA -0.177 53.782 54.000 -0.069 0.000 0.924 169 D CB 0.413 41.167 40.800 -0.076 0.000 1.029 169 D HN 0.367 nan 8.370 nan 0.000 0.515 170 F N 2.485 122.368 119.950 -0.112 0.000 2.091 170 F HA -0.227 4.299 4.527 -0.001 0.000 0.299 170 F C 1.708 177.490 175.800 -0.030 0.000 1.103 170 F CA 1.456 59.412 58.000 -0.072 0.000 1.228 170 F CB 0.119 39.081 39.000 -0.063 0.000 0.984 170 F HN 0.363 nan 8.300 nan 0.000 0.477 171 D N 0.186 120.593 120.400 0.013 0.000 2.087 171 D HA -0.212 4.428 4.640 -0.001 0.000 0.192 171 D C 2.411 178.660 176.300 -0.086 0.000 0.993 171 D CA 1.597 55.559 54.000 -0.063 0.000 0.828 171 D CB -1.133 39.658 40.800 -0.016 0.000 0.968 171 D HN 0.316 nan 8.370 nan 0.000 0.448 172 A N 1.896 124.692 122.820 -0.040 0.000 1.927 172 A HA -0.201 4.118 4.320 -0.001 0.000 0.220 172 A C 2.164 179.744 177.584 -0.006 0.000 1.185 172 A CA 1.192 53.221 52.037 -0.014 0.000 0.639 172 A CB -0.885 18.118 19.000 0.006 0.000 0.820 172 A HN 0.238 nan 8.150 nan 0.000 0.451 173 L N -0.289 120.920 121.223 -0.023 0.000 1.924 173 L HA -0.220 4.119 4.340 -0.001 0.000 0.222 173 L C 2.469 179.258 176.870 -0.135 0.000 1.081 173 L CA 2.602 57.441 54.840 -0.002 0.000 0.780 173 L CB -1.141 40.877 42.059 -0.068 0.000 0.891 173 L HN 0.478 nan 8.230 nan 0.000 0.434 174 I N 0.498 120.880 120.570 -0.313 0.000 2.113 174 I HA -0.431 3.738 4.170 -0.001 0.000 0.242 174 I C 2.141 178.176 176.117 -0.138 0.000 1.057 174 I CA 2.314 63.450 61.300 -0.274 0.000 1.314 174 I CB -0.382 37.384 38.000 -0.389 0.000 1.022 174 I HN 0.477 nan 8.210 nan 0.000 0.408 175 N N -0.034 118.604 118.700 -0.105 0.000 2.149 175 N HA -0.185 4.554 4.740 -0.001 0.000 0.188 175 N C 1.823 177.306 175.510 -0.046 0.000 1.019 175 N CA 1.737 54.752 53.050 -0.058 0.000 0.857 175 N CB -0.212 38.253 38.487 -0.037 0.000 0.997 175 N HN 0.427 nan 8.380 nan 0.000 0.426 176 S N 0.064 115.743 115.700 -0.036 0.000 2.461 176 S HA 0.065 4.534 4.470 -0.001 0.000 0.228 176 S C 1.727 176.224 174.600 -0.172 0.000 1.005 176 S CA 0.397 58.587 58.200 -0.017 0.000 0.942 176 S CB -0.312 62.947 63.200 0.097 0.000 0.776 176 S HN 0.216 nan 8.310 nan 0.000 0.514 177 L N 1.737 122.801 121.223 -0.264 0.000 2.376 177 L HA 0.038 4.377 4.340 -0.001 0.000 0.219 177 L C 2.548 179.237 176.870 -0.302 0.000 1.133 177 L CA 0.398 54.924 54.840 -0.523 0.000 0.816 177 L CB -0.658 41.058 42.059 -0.573 0.000 0.933 177 L HN 0.433 nan 8.230 nan 0.000 0.449 178 N N 0.963 119.592 118.700 -0.118 0.000 2.094 178 N HA -0.225 4.514 4.740 -0.001 0.000 0.191 178 N C 1.027 176.503 175.510 -0.057 0.000 1.023 178 N CA 1.669 54.703 53.050 -0.025 0.000 0.857 178 N CB 0.034 38.511 38.487 -0.018 0.000 1.013 178 N HN 0.561 nan 8.380 nan 0.000 0.426 179 E N 0.325 120.448 120.200 -0.128 0.000 2.461 179 E HA 0.170 4.519 4.350 -0.001 0.000 0.196 179 E C -0.084 176.423 176.600 -0.155 0.000 1.129 179 E CA -0.213 56.152 56.400 -0.058 0.000 0.902 179 E CB 0.128 29.880 29.700 0.087 0.000 0.963 179 E HN 0.198 nan 8.360 nan 0.000 0.503 180 A N 1.891 124.440 122.820 -0.451 0.000 2.279 180 A HA 0.157 4.476 4.320 -0.001 0.000 0.306 180 A C 0.074 177.672 177.584 0.025 0.000 1.300 180 A CA -0.586 51.076 52.037 -0.625 0.000 0.925 180 A CB 0.353 18.472 19.000 -1.469 0.000 1.152 180 A HN 0.135 nan 8.150 nan 0.000 0.544 181 Q N 0.948 120.844 119.800 0.158 0.000 2.535 181 Q HA 0.430 4.769 4.340 -0.001 0.000 0.228 181 Q C 0.531 176.690 176.000 0.266 0.000 1.062 181 Q CA 0.020 55.938 55.803 0.191 0.000 0.967 181 Q CB 0.605 29.441 28.738 0.164 0.000 1.273 181 Q HN 0.856 nan 8.270 nan 0.000 0.554 182 A N 0.033 122.967 122.820 0.189 0.000 2.388 182 A HA 0.476 4.795 4.320 -0.001 0.000 0.257 182 A C 0.967 178.663 177.584 0.187 0.000 1.095 182 A CA 0.496 52.642 52.037 0.182 0.000 0.791 182 A CB -0.319 18.722 19.000 0.068 0.000 1.029 182 A HN 0.931 nan 8.150 nan 0.000 0.489 183 G N 1.533 110.466 108.800 0.222 0.000 2.157 183 G HA2 -0.177 3.782 3.960 -0.001 0.000 0.248 183 G HA3 -0.177 3.782 3.960 -0.001 0.000 0.248 183 G C -0.115 174.899 174.900 0.191 0.000 0.979 183 G CA 0.341 45.550 45.100 0.181 0.000 0.650 183 G HN 0.841 nan 8.290 nan 0.000 0.529 184 D N -0.061 120.487 120.400 0.247 0.000 2.264 184 D HA 0.519 5.158 4.640 -0.001 0.000 0.249 184 D C 0.563 176.969 176.300 0.177 0.000 1.070 184 D CA -0.182 53.947 54.000 0.216 0.000 0.912 184 D CB 1.693 42.632 40.800 0.233 0.000 1.193 184 D HN 0.097 nan 8.370 nan 0.000 0.427 185 V N 2.864 122.852 119.914 0.123 0.000 2.406 185 V HA 0.208 4.327 4.120 -0.001 0.000 0.272 185 V C 0.163 176.239 176.094 -0.029 0.000 1.043 185 V CA -0.581 61.753 62.300 0.057 0.000 0.915 185 V CB 1.508 33.321 31.823 -0.016 0.000 0.988 185 V HN 0.236 nan 8.190 nan 0.000 0.466 186 V N 6.887 126.736 119.914 -0.109 0.000 2.328 186 V HA 0.356 4.475 4.120 -0.001 0.000 0.278 186 V C -0.099 175.716 176.094 -0.465 0.000 1.021 186 V CA -0.417 61.655 62.300 -0.380 0.000 0.838 186 V CB 1.524 32.941 31.823 -0.677 0.000 0.999 186 V HN 0.695 nan 8.190 nan 0.000 0.447 187 L N 6.611 127.590 121.223 -0.407 0.000 2.278 187 L HA 0.544 4.883 4.340 -0.001 0.000 0.287 187 L C -0.933 175.715 176.870 -0.370 0.000 1.072 187 L CA 0.277 54.923 54.840 -0.324 0.000 0.819 187 L CB 0.251 42.165 42.059 -0.242 0.000 1.176 187 L HN 0.447 nan 8.230 nan 0.000 0.435 188 F N 2.235 122.039 119.950 -0.243 0.000 2.492 188 F HA 0.384 4.910 4.527 -0.001 0.000 0.327 188 F C -0.047 175.690 175.800 -0.105 0.000 1.079 188 F CA -0.728 57.145 58.000 -0.211 0.000 0.967 188 F CB 1.129 39.724 39.000 -0.675 0.000 1.169 188 F HN 0.353 nan 8.300 nan 0.000 0.472 189 H N 0.925 120.122 119.070 0.212 0.000 2.723 189 H HA 0.270 4.825 4.556 -0.001 0.000 0.294 189 H C 1.184 176.654 175.328 0.238 0.000 1.079 189 H CA -0.077 56.098 56.048 0.211 0.000 1.411 189 H CB 1.201 31.104 29.762 0.235 0.000 1.439 189 H HN 0.801 nan 8.280 nan 0.000 0.474 190 G N 2.475 111.330 108.800 0.091 0.000 2.469 190 G HA2 -0.175 3.784 3.960 -0.001 0.000 0.220 190 G HA3 -0.175 3.784 3.960 -0.001 0.000 0.220 190 G C 0.238 175.103 174.900 -0.059 0.000 1.136 190 G CA 1.128 45.998 45.100 -0.384 0.000 0.759 190 G HN 0.817 nan 8.290 nan 0.000 0.562 191 C N -5.600 113.857 119.300 0.262 0.000 3.231 191 C HA 0.483 4.942 4.460 -0.001 0.000 0.343 191 C C 0.376 175.592 174.990 0.376 0.000 1.349 191 C CA -0.996 58.250 59.018 0.381 0.000 1.209 191 C CB 0.501 28.475 27.740 0.390 0.000 1.475 191 C HN 0.883 nan 8.230 nan 0.000 0.460 192 C N 2.387 121.862 119.300 0.292 0.000 3.896 192 C HA -0.130 4.330 4.460 -0.001 0.000 0.300 192 C C 0.668 175.737 174.990 0.133 0.000 1.322 192 C CA 1.206 60.299 59.018 0.126 0.000 2.130 192 C CB -3.227 24.448 27.740 -0.109 0.000 1.363 192 C HN 1.272 nan 8.230 nan 0.000 0.642 193 H N 1.727 120.895 119.070 0.164 0.000 3.223 193 H HA -0.034 4.521 4.556 -0.001 0.000 0.287 193 H C 0.546 175.892 175.328 0.031 0.000 0.910 193 H CA 1.363 57.458 56.048 0.078 0.000 1.406 193 H CB 0.456 30.210 29.762 -0.014 0.000 1.377 193 H HN 0.701 nan 8.280 nan 0.000 0.556 194 N N 7.178 125.670 118.700 -0.348 0.000 2.444 194 N HA 0.152 4.891 4.740 -0.001 0.000 0.262 194 N C -2.212 173.034 175.510 -0.440 0.000 0.974 194 N CA -2.258 50.657 53.050 -0.226 0.000 0.933 194 N CB 1.535 40.013 38.487 -0.015 0.000 1.137 194 N HN 0.394 nan 8.380 nan 0.000 0.498 195 P HA 0.125 nan 4.420 nan 0.000 0.275 195 P C 0.878 177.916 177.300 -0.437 0.000 1.310 195 P CA 0.189 63.014 63.100 -0.459 0.000 0.904 195 P CB 0.330 31.663 31.700 -0.611 0.000 1.381 196 T N -3.387 111.005 114.554 -0.269 0.000 2.812 196 T HA 0.131 4.480 4.350 -0.001 0.000 0.264 196 T C 1.716 176.430 174.700 0.024 0.000 1.042 196 T CA 1.775 63.696 62.100 -0.298 0.000 1.140 196 T CB -1.259 67.355 68.868 -0.423 0.000 0.870 196 T HN 0.188 nan 8.240 nan 0.000 0.445 197 G N 1.181 110.071 108.800 0.149 0.000 2.176 197 G HA2 -0.123 3.836 3.960 -0.001 0.000 0.232 197 G HA3 -0.123 3.836 3.960 -0.001 0.000 0.232 197 G C -0.005 175.015 174.900 0.202 0.000 0.986 197 G CA 0.011 45.218 45.100 0.178 0.000 0.643 197 G HN 0.648 nan 8.290 nan 0.000 0.522 198 I N 1.824 122.521 120.570 0.211 0.000 2.354 198 I HA 0.491 4.660 4.170 -0.001 0.000 0.292 198 I C -0.840 175.412 176.117 0.226 0.000 0.989 198 I CA -0.757 60.656 61.300 0.188 0.000 1.188 198 I CB 1.320 39.404 38.000 0.140 0.000 1.342 198 I HN -0.051 nan 8.210 nan 0.000 0.457 199 D N 7.124 127.642 120.400 0.197 0.000 2.457 199 D HA 0.512 5.151 4.640 -0.001 0.000 0.240 199 D C -2.446 173.877 176.300 0.039 0.000 1.041 199 D CA -1.231 52.904 54.000 0.225 0.000 0.861 199 D CB 1.932 42.943 40.800 0.351 0.000 1.394 199 D HN 0.197 nan 8.370 nan 0.000 0.473 200 P HA 0.101 nan 4.420 nan 0.000 0.271 200 P C 0.042 177.185 177.300 -0.263 0.000 1.233 200 P CA -0.247 62.571 63.100 -0.470 0.000 0.789 200 P CB 0.214 31.248 31.700 -1.110 0.000 0.951 201 T N -1.869 112.561 114.554 -0.206 0.000 2.918 201 T HA 0.219 4.569 4.350 -0.001 0.000 0.283 201 T C 1.362 176.126 174.700 0.107 0.000 1.001 201 T CA -0.864 61.233 62.100 -0.004 0.000 1.041 201 T CB 0.396 69.228 68.868 -0.059 0.000 1.028 201 T HN 0.258 nan 8.240 nan 0.000 0.511 202 L N 0.443 121.811 121.223 0.242 0.000 2.151 202 L HA -0.235 4.104 4.340 -0.001 0.000 0.215 202 L C 2.627 179.619 176.870 0.203 0.000 1.084 202 L CA 1.957 56.975 54.840 0.296 0.000 0.764 202 L CB -0.380 41.786 42.059 0.178 0.000 0.891 202 L HN 0.871 nan 8.230 nan 0.000 0.435 203 E N -0.927 119.317 120.200 0.074 0.000 2.072 203 E HA -0.234 4.115 4.350 -0.001 0.000 0.190 203 E C 2.139 178.712 176.600 -0.046 0.000 0.982 203 E CA 1.002 57.411 56.400 0.015 0.000 0.803 203 E CB 0.011 29.697 29.700 -0.023 0.000 0.755 203 E HN 0.559 nan 8.360 nan 0.000 0.453 204 Q N -0.611 119.058 119.800 -0.219 0.000 2.170 204 Q HA -0.167 4.173 4.340 -0.001 0.000 0.203 204 Q C 1.635 177.599 176.000 -0.060 0.000 0.976 204 Q CA 1.263 56.793 55.803 -0.455 0.000 0.858 204 Q CB -0.132 28.025 28.738 -0.970 0.000 0.907 204 Q HN 0.404 nan 8.270 nan 0.000 0.433 205 W N 0.986 122.324 121.300 0.064 0.000 2.379 205 W HA -0.167 4.492 4.660 -0.001 0.000 0.307 205 W C 2.394 178.996 176.519 0.138 0.000 1.200 205 W CA 0.700 58.149 57.345 0.173 0.000 1.297 205 W CB -0.048 29.518 29.460 0.178 0.000 1.140 205 W HN 0.170 nan 8.180 nan 0.000 0.507 206 Q N -0.405 119.579 119.800 0.306 0.000 2.077 206 Q HA -0.216 4.123 4.340 -0.001 0.000 0.206 206 Q C 2.060 178.119 176.000 0.099 0.000 0.989 206 Q CA 2.856 58.753 55.803 0.158 0.000 0.853 206 Q CB -0.595 28.209 28.738 0.109 0.000 0.907 206 Q HN 0.169 nan 8.270 nan 0.000 0.418 207 T N 0.751 115.387 114.554 0.137 0.000 2.708 207 T HA -0.112 4.237 4.350 -0.001 0.000 0.266 207 T C 1.764 176.564 174.700 0.167 0.000 1.037 207 T CA 0.949 63.143 62.100 0.157 0.000 1.146 207 T CB -0.227 68.797 68.868 0.260 0.000 0.865 207 T HN 0.176 nan 8.240 nan 0.000 0.435 208 L N 0.755 122.139 121.223 0.268 0.000 2.042 208 L HA -0.148 4.191 4.340 -0.001 0.000 0.210 208 L C 3.024 179.899 176.870 0.008 0.000 1.076 208 L CA 1.221 56.231 54.840 0.284 0.000 0.749 208 L CB -0.749 41.571 42.059 0.434 0.000 0.893 208 L HN 0.251 nan 8.230 nan 0.000 0.432 209 A N -0.272 122.375 122.820 -0.288 0.000 1.869 209 A HA -0.324 3.995 4.320 -0.001 0.000 0.218 209 A C 2.201 179.619 177.584 -0.276 0.000 1.203 209 A CA 2.121 53.728 52.037 -0.717 0.000 0.638 209 A CB -0.746 17.992 19.000 -0.436 0.000 0.831 209 A HN 0.505 nan 8.150 nan 0.000 0.450 210 Q N -0.833 118.879 119.800 -0.147 0.000 2.045 210 Q HA -0.193 4.146 4.340 -0.001 0.000 0.206 210 Q C 2.245 178.152 176.000 -0.154 0.000 0.991 210 Q CA 1.519 57.252 55.803 -0.117 0.000 0.851 210 Q CB -0.453 28.249 28.738 -0.061 0.000 0.911 210 Q HN 0.677 nan 8.270 nan 0.000 0.418 211 L N 0.999 122.145 121.223 -0.128 0.000 1.971 211 L HA -0.234 4.106 4.340 -0.001 0.000 0.215 211 L C 2.641 179.214 176.870 -0.495 0.000 1.072 211 L CA 2.257 56.965 54.840 -0.220 0.000 0.758 211 L CB -0.744 41.272 42.059 -0.070 0.000 0.889 211 L HN 0.364 nan 8.230 nan 0.000 0.433 212 S N -1.513 113.962 115.700 -0.374 0.000 2.419 212 S HA -0.140 4.329 4.470 -0.001 0.000 0.235 212 S C 1.849 176.251 174.600 -0.330 0.000 1.019 212 S CA 1.231 59.157 58.200 -0.457 0.000 0.982 212 S CB -0.774 62.734 63.200 0.513 0.000 0.789 212 S HN 0.268 nan 8.310 nan 0.000 0.490 213 V N 2.321 122.067 119.914 -0.281 0.000 2.270 213 V HA -0.140 3.980 4.120 -0.001 0.000 0.245 213 V C 2.906 178.818 176.094 -0.303 0.000 1.043 213 V CA 2.137 64.231 62.300 -0.343 0.000 1.014 213 V CB -0.705 30.922 31.823 -0.326 0.000 0.645 213 V HN 0.611 nan 8.190 nan 0.000 0.447 214 E N -0.050 119.971 120.200 -0.299 0.000 2.160 214 E HA -0.286 4.064 4.350 -0.001 0.000 0.195 214 E C 1.931 178.336 176.600 -0.325 0.000 0.991 214 E CA 1.421 57.663 56.400 -0.264 0.000 0.810 214 E CB 0.085 29.651 29.700 -0.222 0.000 0.742 214 E HN 0.345 nan 8.360 nan 0.000 0.466 215 K N -0.983 119.088 120.400 -0.549 0.000 2.379 215 K HA 0.123 4.442 4.320 -0.001 0.000 0.194 215 K C 0.615 176.900 176.600 -0.525 0.000 1.031 215 K CA 0.730 56.632 56.287 -0.643 0.000 1.037 215 K CB 0.670 32.511 32.500 -1.098 0.000 0.824 215 K HN 0.260 nan 8.250 nan 0.000 0.516 216 G N 0.702 109.253 108.800 -0.415 0.000 2.212 216 G HA2 -0.173 3.786 3.960 -0.001 0.000 0.255 216 G HA3 -0.173 3.786 3.960 -0.001 0.000 0.255 216 G C -0.608 174.332 174.900 0.068 0.000 1.062 216 G CA -0.194 44.824 45.100 -0.137 0.000 0.815 216 G HN 0.041 nan 8.290 nan 0.000 0.497 217 W N -0.591 120.775 121.300 0.110 0.000 2.375 217 W HA 0.694 5.353 4.660 -0.001 0.000 0.336 217 W C 0.459 177.118 176.519 0.233 0.000 1.160 217 W CA -1.764 55.666 57.345 0.141 0.000 1.266 217 W CB 0.740 30.281 29.460 0.135 0.000 1.195 217 W HN 0.080 nan 8.180 nan 0.000 0.599 218 L N 5.877 127.375 121.223 0.458 0.000 2.257 218 L HA 0.346 4.685 4.340 -0.001 0.000 0.290 218 L C -2.201 174.902 176.870 0.388 0.000 1.044 218 L CA -1.736 53.334 54.840 0.382 0.000 0.810 218 L CB 1.334 43.556 42.059 0.273 0.000 1.193 218 L HN -0.014 nan 8.230 nan 0.000 0.425 219 P HA 0.303 nan 4.420 nan 0.000 0.290 219 P C -1.090 176.424 177.300 0.356 0.000 1.276 219 P CA -0.344 63.023 63.100 0.444 0.000 0.808 219 P CB 1.546 33.608 31.700 0.602 0.000 0.966 220 L N 4.180 125.539 121.223 0.226 0.000 2.349 220 L HA 0.532 4.872 4.340 -0.001 0.000 0.278 220 L C -1.195 175.768 176.870 0.156 0.000 0.996 220 L CA -0.734 54.238 54.840 0.220 0.000 0.825 220 L CB 0.563 42.698 42.059 0.127 0.000 1.243 220 L HN 0.166 nan 8.230 nan 0.000 0.412 221 F N 2.628 122.635 119.950 0.096 0.000 2.436 221 F HA 0.328 4.854 4.527 -0.001 0.000 0.340 221 F C 0.202 176.043 175.800 0.070 0.000 1.113 221 F CA -0.746 57.280 58.000 0.044 0.000 1.022 221 F CB 1.426 40.368 39.000 -0.097 0.000 1.128 221 F HN 0.339 nan 8.300 nan 0.000 0.466 222 D N 3.529 124.025 120.400 0.160 0.000 2.412 222 D HA 0.151 4.790 4.640 -0.001 0.000 0.224 222 D C -1.411 174.992 176.300 0.171 0.000 1.093 222 D CA -0.179 53.896 54.000 0.125 0.000 0.850 222 D CB 0.264 41.075 40.800 0.017 0.000 1.046 222 D HN 0.167 nan 8.370 nan 0.000 0.507 223 F N 3.413 123.393 119.950 0.049 0.000 2.310 223 F HA 0.495 5.021 4.527 -0.001 0.000 0.365 223 F C 0.487 176.250 175.800 -0.062 0.000 1.080 223 F CA -1.355 56.666 58.000 0.036 0.000 1.187 223 F CB 0.893 39.890 39.000 -0.005 0.000 1.465 223 F HN 0.475 nan 8.300 nan 0.000 0.496 224 A N 3.554 126.501 122.820 0.212 0.000 2.390 224 A HA 0.190 4.509 4.320 -0.001 0.000 0.232 224 A C -0.202 177.131 177.584 -0.418 0.000 1.233 224 A CA 0.237 52.167 52.037 -0.180 0.000 0.907 224 A CB -0.236 18.532 19.000 -0.386 0.000 0.967 224 A HN 0.538 nan 8.150 nan 0.000 0.512 225 Y N 0.012 120.432 120.300 0.201 0.000 2.666 225 Y HA 0.281 4.831 4.550 -0.001 0.000 0.264 225 Y C 0.539 176.663 175.900 0.374 0.000 1.054 225 Y CA -0.689 57.596 58.100 0.308 0.000 1.121 225 Y CB 0.150 38.751 38.460 0.235 0.000 1.190 225 Y HN 0.401 nan 8.280 nan 0.000 0.587 226 Q N 0.925 120.822 119.800 0.161 0.000 2.244 226 Q HA 0.336 4.675 4.340 -0.001 0.000 0.278 226 Q C 1.135 177.167 176.000 0.054 0.000 1.093 226 Q CA 1.490 57.282 55.803 -0.017 0.000 0.916 226 Q CB 0.167 28.542 28.738 -0.605 0.000 1.159 226 Q HN 0.786 nan 8.270 nan 0.000 0.384 227 G N 3.398 112.236 108.800 0.064 0.000 2.184 227 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.206 227 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.206 227 G C 0.083 174.861 174.900 -0.203 0.000 0.995 227 G CA 0.014 45.038 45.100 -0.128 0.000 0.651 227 G HN 0.657 nan 8.290 nan 0.000 0.511 228 F N 1.130 121.132 119.950 0.087 0.000 2.727 228 F HA 0.596 5.122 4.527 -0.002 0.000 0.302 228 F C 2.288 178.130 175.800 0.069 0.000 1.097 228 F CA 1.100 59.147 58.000 0.077 0.000 1.330 228 F CB 0.414 39.505 39.000 0.152 0.000 1.084 228 F HN 0.354 nan 8.300 nan 0.000 0.578 229 A N 0.315 123.279 122.820 0.241 0.000 1.997 229 A HA 0.214 4.533 4.320 -0.001 0.000 0.214 229 A C 2.095 179.750 177.584 0.119 0.000 1.458 229 A CA 0.406 52.554 52.037 0.186 0.000 0.692 229 A CB 0.016 19.142 19.000 0.210 0.000 1.145 229 A HN 0.174 nan 8.150 nan 0.000 0.515 230 R N -1.695 118.864 120.500 0.100 0.000 2.125 230 R HA 0.430 4.769 4.340 -0.001 0.000 0.195 230 R C 0.770 177.072 176.300 0.003 0.000 1.138 230 R CA 0.677 56.810 56.100 0.055 0.000 1.123 230 R CB 0.525 30.866 30.300 0.069 0.000 1.049 230 R HN 0.576 nan 8.270 nan 0.000 0.503 234 E N 1.548 121.742 120.200 -0.011 0.000 2.106 234 E HA -0.181 4.168 4.350 -0.001 0.000 0.192 234 E C 1.535 178.154 176.600 0.031 0.000 0.984 234 E CA 1.551 57.956 56.400 0.008 0.000 0.806 234 E CB 0.077 29.777 29.700 -0.000 0.000 0.750 234 E HN 0.494 nan 8.360 nan 0.000 0.458 235 E N 0.861 121.082 120.200 0.035 0.000 2.204 235 E HA -0.121 4.228 4.350 -0.001 0.000 0.194 235 E C 1.170 177.826 176.600 0.094 0.000 0.989 235 E CA 0.927 57.361 56.400 0.057 0.000 0.824 235 E CB 0.022 29.754 29.700 0.052 0.000 0.756 235 E HN 0.152 nan 8.360 nan 0.000 0.477 236 D N -0.572 119.904 120.400 0.127 0.000 2.349 236 D HA 0.085 4.724 4.640 -0.001 0.000 0.215 236 D C 0.987 177.444 176.300 0.261 0.000 1.016 236 D CA 0.509 54.640 54.000 0.219 0.000 0.870 236 D CB 0.321 41.298 40.800 0.296 0.000 0.917 236 D HN 0.175 nan 8.370 nan 0.000 0.524 237 A N 0.259 123.181 122.820 0.171 0.000 2.308 237 A HA 0.065 4.384 4.320 -0.001 0.000 0.217 237 A C 1.671 179.219 177.584 -0.059 0.000 1.216 237 A CA -0.033 52.076 52.037 0.121 0.000 0.864 237 A CB -0.058 19.004 19.000 0.103 0.000 0.902 237 A HN 0.052 nan 8.150 nan 0.000 0.499 238 E N 0.019 120.178 120.200 -0.068 0.000 2.153 238 E HA -0.121 4.228 4.350 -0.001 0.000 0.194 238 E C 1.984 178.436 176.600 -0.246 0.000 0.988 238 E CA 0.919 57.265 56.400 -0.090 0.000 0.811 238 E CB -0.141 29.557 29.700 -0.003 0.000 0.746 238 E HN 0.596 nan 8.360 nan 0.000 0.466 239 G N 1.408 109.841 108.800 -0.611 0.000 2.404 239 G HA2 -0.187 3.772 3.960 -0.001 0.000 0.214 239 G HA3 -0.187 3.772 3.960 -0.001 0.000 0.214 239 G C 1.504 175.995 174.900 -0.681 0.000 1.189 239 G CA 0.070 44.461 45.100 -1.181 0.000 0.789 239 G HN 0.114 nan 8.290 nan 0.000 0.533 240 L N -0.058 120.680 121.223 -0.808 0.000 1.971 240 L HA -0.119 4.220 4.340 -0.001 0.000 0.215 240 L C 3.137 179.803 176.870 -0.340 0.000 1.072 240 L CA 1.732 56.020 54.840 -0.920 0.000 0.758 240 L CB -0.262 41.363 42.059 -0.723 0.000 0.889 240 L HN 0.157 nan 8.230 nan 0.000 0.433 241 R N -0.543 119.858 120.500 -0.165 0.000 2.139 241 R HA -0.200 4.139 4.340 -0.001 0.000 0.243 241 R C 2.216 178.530 176.300 0.024 0.000 1.145 241 R CA 1.590 57.689 56.100 -0.003 0.000 0.976 241 R CB -0.453 29.857 30.300 0.016 0.000 0.866 241 R HN 0.567 nan 8.270 nan 0.000 0.449 242 A N -0.320 122.516 122.820 0.027 0.000 1.854 242 A HA -0.115 4.204 4.320 -0.001 0.000 0.214 242 A C 1.880 179.550 177.584 0.143 0.000 1.192 242 A CA 1.045 53.139 52.037 0.094 0.000 0.611 242 A CB -0.626 18.457 19.000 0.140 0.000 0.832 242 A HN 0.244 nan 8.150 nan 0.000 0.442 243 F N 0.445 120.373 119.950 -0.037 0.000 2.126 243 F HA -0.147 4.380 4.527 -0.001 0.000 0.299 243 F C 2.749 178.563 175.800 0.023 0.000 1.096 243 F CA 1.125 59.121 58.000 -0.006 0.000 1.255 243 F CB -0.463 38.462 39.000 -0.124 0.000 0.997 243 F HN 0.251 nan 8.300 nan 0.000 0.479 244 A N -0.521 122.382 122.820 0.139 0.000 2.125 244 A HA 0.037 4.356 4.320 -0.001 0.000 0.219 244 A C 2.255 179.867 177.584 0.045 0.000 1.156 244 A CA 1.374 53.441 52.037 0.050 0.000 0.671 244 A CB -1.063 17.907 19.000 -0.050 0.000 0.794 244 A HN 0.293 nan 8.150 nan 0.000 0.459 245 A N -1.195 121.668 122.820 0.071 0.000 2.123 245 A HA 0.196 4.516 4.320 -0.001 0.000 0.214 245 A C 1.976 179.587 177.584 0.045 0.000 1.152 245 A CA 1.215 53.277 52.037 0.042 0.000 0.728 245 A CB -0.219 18.802 19.000 0.035 0.000 0.814 245 A HN 0.486 nan 8.150 nan 0.000 0.464 246 M N -1.492 118.171 119.600 0.105 0.000 2.449 246 M HA 0.204 4.683 4.480 -0.001 0.000 0.262 246 M C -0.100 176.188 176.300 -0.021 0.000 1.152 246 M CA 0.152 55.473 55.300 0.035 0.000 1.104 246 M CB -0.224 32.379 32.600 0.005 0.000 1.416 246 M HN 0.306 nan 8.290 nan 0.000 0.519 247 H N 0.718 119.799 119.070 0.019 0.000 2.547 247 H HA 0.214 4.769 4.556 -0.001 0.000 0.362 247 H C 0.860 176.207 175.328 0.030 0.000 1.181 247 H CA 0.473 56.554 56.048 0.056 0.000 1.376 247 H CB 1.550 31.405 29.762 0.155 0.000 1.488 247 H HN -0.081 nan 8.280 nan 0.000 0.583 248 K N 0.091 120.568 120.400 0.127 0.000 2.306 248 K HA 0.146 4.465 4.320 -0.001 0.000 0.200 248 K C -0.423 176.248 176.600 0.120 0.000 1.083 248 K CA 0.487 56.819 56.287 0.075 0.000 0.959 248 K CB 0.747 33.267 32.500 0.033 0.000 0.994 248 K HN 0.642 nan 8.250 nan 0.000 0.492 249 E N 0.367 120.684 120.200 0.196 0.000 2.212 249 E HA 0.482 4.831 4.350 -0.001 0.000 0.268 249 E C -1.440 175.331 176.600 0.285 0.000 0.902 249 E CA -0.840 55.691 56.400 0.217 0.000 0.779 249 E CB 2.158 31.981 29.700 0.205 0.000 1.172 249 E HN -0.091 nan 8.360 nan 0.000 0.409 250 L N 2.026 123.393 121.223 0.239 0.000 2.710 250 L HA 0.502 4.841 4.340 -0.001 0.000 0.260 250 L C -1.806 175.214 176.870 0.250 0.000 0.993 250 L CA -0.267 54.726 54.840 0.255 0.000 0.877 250 L CB 2.101 44.277 42.059 0.195 0.000 1.461 250 L HN 0.560 nan 8.230 nan 0.000 0.413 251 I N 1.798 122.539 120.570 0.285 0.000 2.619 251 I HA 0.680 4.849 4.170 -0.001 0.000 0.292 251 I C -1.231 175.059 176.117 0.288 0.000 1.100 251 I CA -0.906 60.556 61.300 0.270 0.000 1.043 251 I CB 2.246 40.415 38.000 0.281 0.000 1.239 251 I HN 0.114 nan 8.210 nan 0.000 0.420 252 V N 4.407 124.469 119.914 0.245 0.000 2.525 252 V HA 0.672 4.791 4.120 -0.001 0.000 0.299 252 V C -0.130 176.077 176.094 0.189 0.000 1.034 252 V CA -0.618 61.822 62.300 0.233 0.000 0.863 252 V CB 1.722 33.646 31.823 0.169 0.000 0.999 252 V HN 0.805 nan 8.190 nan 0.000 0.423 253 A N 3.791 126.733 122.820 0.203 0.000 2.273 253 A HA 0.809 5.129 4.320 -0.001 0.000 0.320 253 A C 0.197 177.848 177.584 0.111 0.000 1.358 253 A CA -0.323 51.806 52.037 0.152 0.000 0.910 253 A CB 0.607 19.710 19.000 0.171 0.000 1.159 253 A HN 1.023 nan 8.150 nan 0.000 0.526 254 S N 1.415 117.123 115.700 0.014 0.000 2.566 254 S HA 0.823 5.292 4.470 -0.001 0.000 0.298 254 S C -0.207 174.247 174.600 -0.244 0.000 1.083 254 S CA -0.555 57.575 58.200 -0.118 0.000 0.978 254 S CB 1.784 64.824 63.200 -0.266 0.000 1.073 254 S HN 0.949 nan 8.310 nan 0.000 0.491 255 S N 0.318 115.828 115.700 -0.317 0.000 2.536 255 S HA 0.624 5.093 4.470 -0.001 0.000 0.298 255 S C -1.301 173.059 174.600 -0.400 0.000 1.083 255 S CA -0.573 57.452 58.200 -0.292 0.000 0.995 255 S CB 0.699 63.774 63.200 -0.209 0.000 1.058 255 S HN 0.700 nan 8.310 nan 0.000 0.488 256 Y N 2.027 122.279 120.300 -0.081 0.000 2.636 256 Y HA 0.336 4.885 4.550 -0.001 0.000 0.260 256 Y C 2.026 177.887 175.900 -0.065 0.000 1.177 256 Y CA -0.235 57.820 58.100 -0.074 0.000 1.209 256 Y CB 0.148 38.468 38.460 -0.235 0.000 1.166 256 Y HN 0.579 nan 8.280 nan 0.000 0.531 257 S N 0.010 115.707 115.700 -0.004 0.000 2.355 257 S HA -0.146 4.324 4.470 -0.001 0.000 0.222 257 S C 1.875 176.295 174.600 -0.300 0.000 1.031 257 S CA 1.550 59.683 58.200 -0.111 0.000 0.993 257 S CB 0.115 63.299 63.200 -0.026 0.000 0.859 257 S HN 0.373 nan 8.310 nan 0.000 0.453 258 K N 1.744 122.069 120.400 -0.125 0.000 2.078 258 K HA 0.077 4.396 4.320 -0.001 0.000 0.203 258 K C 1.688 178.473 176.600 0.309 0.000 1.043 258 K CA 1.071 57.348 56.287 -0.016 0.000 0.960 258 K CB -0.199 32.161 32.500 -0.234 0.000 0.761 258 K HN 0.343 nan 8.250 nan 0.000 0.448 259 N N -0.021 118.930 118.700 0.419 0.000 2.512 259 N HA -0.119 4.621 4.740 -0.001 0.000 0.183 259 N C 0.566 176.243 175.510 0.277 0.000 1.073 259 N CA 1.111 54.360 53.050 0.333 0.000 0.911 259 N CB -0.116 38.524 38.487 0.255 0.000 0.964 259 N HN 0.113 nan 8.380 nan 0.000 0.447 260 F N -1.013 118.984 119.950 0.079 0.000 2.746 260 F HA 0.425 4.951 4.527 -0.001 0.000 0.320 260 F C 1.555 177.287 175.800 -0.113 0.000 1.097 260 F CA -0.092 57.902 58.000 -0.011 0.000 1.195 260 F CB 0.521 39.412 39.000 -0.182 0.000 1.056 260 F HN 0.139 nan 8.300 nan 0.000 0.562 261 G N 1.364 110.108 108.800 -0.095 0.000 2.258 261 G HA2 -0.320 3.639 3.960 -0.001 0.000 0.274 261 G HA3 -0.320 3.639 3.960 -0.001 0.000 0.274 261 G C 0.651 175.321 174.900 -0.384 0.000 1.021 261 G CA 0.429 45.301 45.100 -0.379 0.000 0.798 261 G HN 0.408 nan 8.290 nan 0.000 0.507 262 L N -0.079 120.970 121.223 -0.290 0.000 2.851 262 L HA 0.254 4.594 4.340 -0.001 0.000 0.237 262 L C 2.190 179.004 176.870 -0.093 0.000 1.257 262 L CA -0.748 54.013 54.840 -0.132 0.000 1.061 262 L CB -0.448 41.564 42.059 -0.078 0.000 1.372 262 L HN 0.335 nan 8.230 nan 0.000 0.493 263 Y N 0.558 120.885 120.300 0.045 0.000 2.003 263 Y HA -0.446 4.103 4.550 -0.002 0.000 0.261 263 Y C 2.298 178.204 175.900 0.011 0.000 1.211 263 Y CA 2.331 60.444 58.100 0.021 0.000 1.098 263 Y CB -1.056 37.411 38.460 0.013 0.000 0.925 263 Y HN 0.546 nan 8.280 nan 0.000 0.498 264 N N -0.319 118.496 118.700 0.190 0.000 2.521 264 N HA -0.085 4.654 4.740 -0.001 0.000 0.188 264 N C 0.761 176.302 175.510 0.052 0.000 1.146 264 N CA 0.559 53.669 53.050 0.100 0.000 0.893 264 N CB -0.066 38.470 38.487 0.081 0.000 0.975 264 N HN 0.451 nan 8.380 nan 0.000 0.451 265 E N 0.762 120.987 120.200 0.041 0.000 2.474 265 E HA 0.036 4.386 4.350 -0.001 0.000 0.195 265 E C -0.272 176.313 176.600 -0.024 0.000 1.039 265 E CA -0.099 56.312 56.400 0.017 0.000 0.881 265 E CB 0.283 30.007 29.700 0.039 0.000 0.970 265 E HN 0.243 nan 8.360 nan 0.000 0.486 266 R N -0.118 120.372 120.500 -0.017 0.000 2.855 266 R HA -0.108 4.231 4.340 -0.001 0.000 0.288 266 R C -0.890 175.371 176.300 -0.065 0.000 0.942 266 R CA 0.204 56.279 56.100 -0.042 0.000 0.705 266 R CB -3.020 27.234 30.300 -0.076 0.000 1.791 266 R HN -0.052 nan 8.270 nan 0.000 0.478 267 V N 0.374 120.273 119.914 -0.025 0.000 2.409 267 V HA 0.933 5.052 4.120 -0.001 0.000 0.290 267 V C 1.005 177.180 176.094 0.134 0.000 1.017 267 V CA -0.071 62.239 62.300 0.016 0.000 0.841 267 V CB 2.196 34.023 31.823 0.007 0.000 1.003 267 V HN 0.784 nan 8.190 nan 0.000 0.426 268 G N 2.623 111.514 108.800 0.152 0.000 2.606 268 G HA2 0.931 4.890 3.960 -0.001 0.000 0.300 268 G HA3 0.931 4.890 3.960 -0.001 0.000 0.300 268 G C -1.407 173.631 174.900 0.230 0.000 1.360 268 G CA -0.080 45.089 45.100 0.115 0.000 0.783 268 G HN 1.168 nan 8.290 nan 0.000 0.484 269 A N -1.717 121.184 122.820 0.136 0.000 2.594 269 A HA 0.704 5.023 4.320 -0.001 0.000 0.291 269 A C -1.321 176.338 177.584 0.126 0.000 1.105 269 A CA -0.420 51.739 52.037 0.204 0.000 0.694 269 A CB 1.588 20.746 19.000 0.263 0.000 1.291 269 A HN 1.718 nan 8.150 nan 0.000 0.410 270 C N 1.531 120.930 119.300 0.164 0.000 2.356 270 C HA 0.746 5.205 4.460 -0.001 0.000 0.324 270 C C -0.134 174.957 174.990 0.169 0.000 1.167 270 C CA -0.032 59.081 59.018 0.159 0.000 1.420 270 C CB -0.420 27.416 27.740 0.159 0.000 2.036 270 C HN 0.778 nan 8.230 nan 0.000 0.435 271 T N 6.596 121.238 114.554 0.146 0.000 2.758 271 T HA 0.387 4.736 4.350 -0.001 0.000 0.285 271 T C -0.403 174.391 174.700 0.156 0.000 0.981 271 T CA -0.234 61.952 62.100 0.144 0.000 0.965 271 T CB 0.919 69.884 68.868 0.162 0.000 0.927 271 T HN 0.560 nan 8.240 nan 0.000 0.448 272 L N 4.359 125.641 121.223 0.098 0.000 2.289 272 L HA 0.630 4.969 4.340 -0.001 0.000 0.285 272 L C -0.826 176.084 176.870 0.066 0.000 1.049 272 L CA -0.666 54.230 54.840 0.092 0.000 0.804 272 L CB 1.393 43.489 42.059 0.063 0.000 1.195 272 L HN 0.393 nan 8.230 nan 0.000 0.428 273 V N 3.808 123.781 119.914 0.097 0.000 2.540 273 V HA 0.760 4.880 4.120 -0.001 0.000 0.302 273 V C 0.005 176.145 176.094 0.076 0.000 1.035 273 V CA -0.498 61.824 62.300 0.037 0.000 0.873 273 V CB 1.651 33.459 31.823 -0.025 0.000 0.992 273 V HN 0.911 nan 8.190 nan 0.000 0.428 274 A N 3.115 125.961 122.820 0.044 0.000 2.437 274 A HA 0.909 5.229 4.320 -0.001 0.000 0.292 274 A C 1.038 178.642 177.584 0.034 0.000 1.173 274 A CA 0.065 52.142 52.037 0.067 0.000 0.785 274 A CB 1.473 20.523 19.000 0.083 0.000 1.351 274 A HN 1.195 nan 8.150 nan 0.000 0.431 275 A N -0.267 122.577 122.820 0.040 0.000 1.933 275 A HA 0.218 4.537 4.320 -0.001 0.000 0.218 275 A C 0.591 178.178 177.584 0.005 0.000 1.175 275 A CA 2.362 54.410 52.037 0.019 0.000 0.628 275 A CB -0.697 18.315 19.000 0.021 0.000 0.814 275 A HN 1.089 nan 8.150 nan 0.000 0.444 276 D N -4.831 115.575 120.400 0.011 0.000 2.596 276 D HA 0.433 5.072 4.640 -0.001 0.000 0.262 276 D C 0.476 176.779 176.300 0.006 0.000 1.210 276 D CA 0.064 54.066 54.000 0.003 0.000 0.873 276 D CB 0.369 41.174 40.800 0.007 0.000 1.408 276 D HN -0.172 nan 8.370 nan 0.000 0.441 277 S N -0.287 115.412 115.700 -0.002 0.000 2.359 277 S HA -0.268 4.201 4.470 -0.001 0.000 0.223 277 S C 1.549 176.160 174.600 0.018 0.000 1.039 277 S CA 1.786 59.985 58.200 -0.001 0.000 1.042 277 S CB -0.489 62.709 63.200 -0.004 0.000 0.915 277 S HN 0.743 nan 8.310 nan 0.000 0.439 278 E N 0.664 120.878 120.200 0.024 0.000 2.058 278 E HA -0.185 4.164 4.350 -0.001 0.000 0.194 278 E C 1.910 178.542 176.600 0.053 0.000 0.997 278 E CA 1.744 58.166 56.400 0.036 0.000 0.801 278 E CB -0.272 29.448 29.700 0.032 0.000 0.746 278 E HN 0.450 nan 8.360 nan 0.000 0.450 279 T N 0.363 114.948 114.554 0.052 0.000 2.643 279 T HA -0.146 4.203 4.350 -0.001 0.000 0.264 279 T C 1.858 176.615 174.700 0.096 0.000 1.045 279 T CA 1.253 63.397 62.100 0.073 0.000 1.155 279 T CB -0.493 68.414 68.868 0.065 0.000 0.863 279 T HN 0.115 nan 8.240 nan 0.000 0.420 280 V N 2.155 122.112 119.914 0.072 0.000 2.324 280 V HA -0.225 3.894 4.120 -0.001 0.000 0.250 280 V C 2.042 178.200 176.094 0.105 0.000 1.060 280 V CA 2.143 64.485 62.300 0.070 0.000 1.042 280 V CB -0.600 31.223 31.823 0.001 0.000 0.650 280 V HN 0.446 nan 8.190 nan 0.000 0.450 281 D N -0.666 119.786 120.400 0.088 0.000 2.117 281 D HA -0.164 4.475 4.640 -0.001 0.000 0.198 281 D C 2.299 178.701 176.300 0.169 0.000 0.982 281 D CA 1.364 55.441 54.000 0.129 0.000 0.828 281 D CB -0.292 40.559 40.800 0.086 0.000 0.967 281 D HN 0.392 nan 8.370 nan 0.000 0.464 282 R N 0.616 121.197 120.500 0.135 0.000 2.082 282 R HA -0.103 4.236 4.340 -0.001 0.000 0.234 282 R C 2.319 178.727 176.300 0.181 0.000 1.136 282 R CA 1.613 57.793 56.100 0.133 0.000 0.935 282 R CB -0.373 29.992 30.300 0.109 0.000 0.842 282 R HN 0.127 nan 8.270 nan 0.000 0.430 283 A N 0.277 123.230 122.820 0.223 0.000 1.873 283 A HA -0.250 4.070 4.320 -0.001 0.000 0.218 283 A C 2.058 179.834 177.584 0.320 0.000 1.193 283 A CA 1.673 53.911 52.037 0.335 0.000 0.629 283 A CB -0.931 18.296 19.000 0.379 0.000 0.826 283 A HN 0.479 nan 8.150 nan 0.000 0.447 284 F N 1.883 121.857 119.950 0.041 0.000 2.250 284 F HA -0.190 4.336 4.527 -0.001 0.000 0.301 284 F C 2.729 178.524 175.800 -0.009 0.000 1.077 284 F CA 1.635 59.603 58.000 -0.055 0.000 1.348 284 F CB -0.269 38.710 39.000 -0.036 0.000 1.040 284 F HN 0.349 nan 8.300 nan 0.000 0.509 285 S N -0.791 114.948 115.700 0.065 0.000 2.419 285 S HA -0.201 4.268 4.470 -0.001 0.000 0.233 285 S C 1.858 176.439 174.600 -0.032 0.000 1.016 285 S CA 0.961 59.151 58.200 -0.017 0.000 0.974 285 S CB -0.483 62.747 63.200 0.050 0.000 0.786 285 S HN 0.473 nan 8.310 nan 0.000 0.492 286 Q N 0.396 120.245 119.800 0.083 0.000 2.187 286 Q HA 0.159 4.498 4.340 -0.001 0.000 0.199 286 Q C 2.123 178.232 176.000 0.182 0.000 0.957 286 Q CA 1.036 56.949 55.803 0.184 0.000 0.857 286 Q CB -0.390 28.537 28.738 0.316 0.000 0.929 286 Q HN 0.681 nan 8.270 nan 0.000 0.453 287 M N 0.479 120.059 119.600 -0.034 0.000 2.132 287 M HA -0.151 4.328 4.480 -0.001 0.000 0.263 287 M C 1.635 177.749 176.300 -0.310 0.000 1.065 287 M CA 1.434 56.566 55.300 -0.279 0.000 1.122 287 M CB 0.134 32.335 32.600 -0.665 0.000 1.365 287 M HN -0.038 nan 8.290 nan 0.000 0.411 288 K N 0.026 120.154 120.400 -0.453 0.000 2.211 288 K HA -0.048 4.271 4.320 -0.001 0.000 0.203 288 K C 1.862 178.333 176.600 -0.215 0.000 1.050 288 K CA 1.203 57.259 56.287 -0.384 0.000 0.945 288 K CB -0.198 32.050 32.500 -0.421 0.000 0.732 288 K HN 0.393 nan 8.250 nan 0.000 0.451 289 A N 1.309 124.047 122.820 -0.136 0.000 1.898 289 A HA -0.079 4.240 4.320 -0.001 0.000 0.216 289 A C 2.344 179.881 177.584 -0.078 0.000 1.181 289 A CA 1.700 53.689 52.037 -0.081 0.000 0.620 289 A CB -0.651 18.332 19.000 -0.029 0.000 0.819 289 A HN 0.307 nan 8.150 nan 0.000 0.442 290 A N -0.278 122.512 122.820 -0.049 0.000 1.972 290 A HA -0.037 4.283 4.320 -0.001 0.000 0.219 290 A C 2.073 179.579 177.584 -0.131 0.000 1.169 290 A CA 1.428 53.443 52.037 -0.037 0.000 0.635 290 A CB -0.534 18.495 19.000 0.049 0.000 0.810 290 A HN 0.501 nan 8.150 nan 0.000 0.446 291 I N -1.445 118.999 120.570 -0.210 0.000 2.286 291 I HA -0.171 3.998 4.170 -0.001 0.000 0.245 291 I C 2.709 178.559 176.117 -0.444 0.000 1.104 291 I CA 0.751 61.810 61.300 -0.402 0.000 1.397 291 I CB -0.240 37.545 38.000 -0.359 0.000 1.072 291 I HN 0.183 nan 8.210 nan 0.000 0.417 292 R N 1.236 121.572 120.500 -0.274 0.000 2.105 292 R HA -0.106 4.233 4.340 -0.001 0.000 0.239 292 R C 1.963 178.156 176.300 -0.178 0.000 1.135 292 R CA 1.763 57.736 56.100 -0.212 0.000 0.967 292 R CB -0.612 29.599 30.300 -0.149 0.000 0.861 292 R HN 0.369 nan 8.270 nan 0.000 0.442 293 A N 0.276 123.007 122.820 -0.149 0.000 2.238 293 A HA -0.007 4.312 4.320 -0.001 0.000 0.208 293 A C 1.428 178.951 177.584 -0.102 0.000 1.177 293 A CA 0.346 52.323 52.037 -0.100 0.000 0.804 293 A CB -0.223 18.739 19.000 -0.063 0.000 0.823 293 A HN 0.254 nan 8.150 nan 0.000 0.482 294 N N -0.656 117.934 118.700 -0.183 0.000 2.378 294 N HA 0.077 4.816 4.740 -0.001 0.000 0.225 294 N C 1.060 176.496 175.510 -0.123 0.000 1.153 294 N CA 1.182 54.139 53.050 -0.155 0.000 1.134 294 N CB -0.207 38.163 38.487 -0.195 0.000 1.490 294 N HN 0.340 nan 8.380 nan 0.000 0.541 295 Y N -1.061 119.230 120.300 -0.015 0.000 2.458 295 Y HA 0.543 5.092 4.550 -0.002 0.000 0.256 295 Y C 1.412 177.300 175.900 -0.020 0.000 1.159 295 Y CA 0.469 58.562 58.100 -0.012 0.000 1.261 295 Y CB -0.136 38.321 38.460 -0.005 0.000 1.119 295 Y HN 0.269 nan 8.280 nan 0.000 0.524 296 S N 0.271 115.783 115.700 -0.313 0.000 1.402 296 S HA -0.242 4.228 4.470 -0.001 0.000 0.247 296 S C 0.343 174.881 174.600 -0.102 0.000 0.661 296 S CA 1.507 59.598 58.200 -0.182 0.000 1.198 296 S CB -1.862 61.280 63.200 -0.096 0.000 1.282 296 S HN 1.203 nan 8.310 nan 0.000 0.501 297 S N 1.892 117.667 115.700 0.125 0.000 2.579 297 S HA 0.799 5.269 4.470 -0.001 0.000 0.272 297 S C -3.398 171.405 174.600 0.338 0.000 1.141 297 S CA -0.984 57.331 58.200 0.192 0.000 0.843 297 S CB 2.520 65.784 63.200 0.107 0.000 1.122 297 S HN 0.529 nan 8.310 nan 0.000 0.468 298 P HA 0.524 nan 4.420 nan 0.000 0.282 298 P C -2.937 174.352 177.300 -0.019 0.000 1.259 298 P CA -2.042 61.086 63.100 0.047 0.000 0.826 298 P CB -0.603 31.089 31.700 -0.013 0.000 1.064 299 P HA 0.098 nan 4.420 nan 0.000 0.271 299 P C 0.423 177.668 177.300 -0.091 0.000 1.233 299 P CA 0.119 63.177 63.100 -0.069 0.000 0.764 299 P CB 0.359 32.005 31.700 -0.091 0.000 0.825 300 A N 3.474 126.261 122.820 -0.054 0.000 1.872 300 A HA -0.202 4.118 4.320 -0.001 0.000 0.214 300 A C 2.160 179.699 177.584 -0.074 0.000 1.187 300 A CA 1.192 53.184 52.037 -0.075 0.000 0.614 300 A CB -1.678 17.297 19.000 -0.043 0.000 0.826 300 A HN 0.723 nan 8.150 nan 0.000 0.442 301 H N -0.396 118.610 119.070 -0.107 0.000 2.314 301 H HA -0.272 4.284 4.556 -0.001 0.000 0.288 301 H C 2.331 177.584 175.328 -0.125 0.000 1.091 301 H CA 2.398 58.388 56.048 -0.097 0.000 1.155 301 H CB -0.642 29.076 29.762 -0.074 0.000 1.362 301 H HN 0.430 nan 8.280 nan 0.000 0.530 302 G N -0.157 108.556 108.800 -0.146 0.000 2.491 302 G HA2 -0.300 3.659 3.960 -0.001 0.000 0.218 302 G HA3 -0.300 3.659 3.960 -0.001 0.000 0.218 302 G C 1.924 176.626 174.900 -0.329 0.000 1.180 302 G CA 1.776 46.738 45.100 -0.230 0.000 0.774 302 G HN 0.640 nan 8.290 nan 0.000 0.562 303 A N 0.328 122.935 122.820 -0.354 0.000 1.902 303 A HA 0.024 4.344 4.320 -0.001 0.000 0.217 303 A C 2.702 180.097 177.584 -0.316 0.000 1.181 303 A CA 2.252 53.999 52.037 -0.484 0.000 0.623 303 A CB -0.697 17.798 19.000 -0.842 0.000 0.818 303 A HN 0.325 nan 8.150 nan 0.000 0.443 304 S N -0.545 114.996 115.700 -0.264 0.000 2.370 304 S HA -0.150 4.319 4.470 -0.001 0.000 0.226 304 S C 1.916 176.383 174.600 -0.221 0.000 1.033 304 S CA 1.483 59.571 58.200 -0.186 0.000 1.011 304 S CB -0.455 62.654 63.200 -0.153 0.000 0.852 304 S HN 0.358 nan 8.310 nan 0.000 0.457 305 V N 1.230 120.949 119.914 -0.325 0.000 2.287 305 V HA -0.152 3.967 4.120 -0.001 0.000 0.248 305 V C 2.279 178.162 176.094 -0.352 0.000 1.053 305 V CA 1.568 63.675 62.300 -0.320 0.000 1.027 305 V CB -0.685 30.918 31.823 -0.366 0.000 0.646 305 V HN 0.343 nan 8.190 nan 0.000 0.447 306 V N 0.166 119.777 119.914 -0.505 0.000 2.307 306 V HA -0.233 3.887 4.120 -0.001 0.000 0.245 306 V C 2.684 178.475 176.094 -0.504 0.000 1.045 306 V CA 1.993 63.806 62.300 -0.812 0.000 1.024 306 V CB -1.107 30.029 31.823 -1.145 0.000 0.651 306 V HN 0.560 nan 8.190 nan 0.000 0.449 307 A N -0.184 122.483 122.820 -0.256 0.000 1.933 307 A HA -0.217 4.102 4.320 -0.001 0.000 0.218 307 A C 2.390 179.863 177.584 -0.186 0.000 1.175 307 A CA 2.431 54.364 52.037 -0.174 0.000 0.628 307 A CB -0.974 17.999 19.000 -0.046 0.000 0.814 307 A HN 0.512 nan 8.150 nan 0.000 0.444 308 T N 0.363 114.804 114.554 -0.188 0.000 2.720 308 T HA -0.119 4.230 4.350 -0.001 0.000 0.268 308 T C 1.790 176.371 174.700 -0.199 0.000 1.037 308 T CA 1.597 63.575 62.100 -0.204 0.000 1.144 308 T CB -0.394 68.351 68.868 -0.206 0.000 0.864 308 T HN 0.439 nan 8.240 nan 0.000 0.444 309 I N 0.644 121.103 120.570 -0.184 0.000 2.163 309 I HA -0.078 4.091 4.170 -0.001 0.000 0.240 309 I C 2.121 178.173 176.117 -0.108 0.000 1.081 309 I CA 1.194 62.422 61.300 -0.121 0.000 1.353 309 I CB -0.325 37.642 38.000 -0.055 0.000 1.054 309 I HN 0.177 nan 8.210 nan 0.000 0.407 310 L N 0.310 121.430 121.223 -0.172 0.000 2.362 310 L HA -0.107 4.232 4.340 -0.001 0.000 0.219 310 L C 2.443 179.256 176.870 -0.094 0.000 1.134 310 L CA 1.030 55.794 54.840 -0.127 0.000 0.807 310 L CB -0.607 41.332 42.059 -0.199 0.000 0.927 310 L HN 0.331 nan 8.230 nan 0.000 0.447 311 S N -1.869 113.762 115.700 -0.114 0.000 2.501 311 S HA -0.060 4.410 4.470 -0.001 0.000 0.220 311 S C 0.780 175.332 174.600 -0.080 0.000 0.997 311 S CA -0.274 57.872 58.200 -0.091 0.000 0.919 311 S CB -0.442 62.703 63.200 -0.092 0.000 0.778 311 S HN 0.447 nan 8.310 nan 0.000 0.523 312 N N 1.287 119.932 118.700 -0.093 0.000 2.426 312 N HA 0.266 5.005 4.740 -0.001 0.000 0.257 312 N C -0.385 175.097 175.510 -0.047 0.000 1.002 312 N CA -0.328 52.670 53.050 -0.087 0.000 0.942 312 N CB 1.064 39.471 38.487 -0.133 0.000 1.112 312 N HN -0.034 nan 8.380 nan 0.000 0.499 313 D N 2.494 122.873 120.400 -0.035 0.000 2.158 313 D HA -0.209 4.430 4.640 -0.001 0.000 0.197 313 D C 1.627 177.920 176.300 -0.013 0.000 0.995 313 D CA 1.519 55.509 54.000 -0.018 0.000 0.846 313 D CB 0.036 40.825 40.800 -0.018 0.000 0.941 313 D HN 0.607 nan 8.370 nan 0.000 0.456 314 A N 0.456 123.262 122.820 -0.022 0.000 1.840 314 A HA -0.024 4.295 4.320 -0.001 0.000 0.214 314 A C 2.179 179.758 177.584 -0.008 0.000 1.198 314 A CA 0.648 52.675 52.037 -0.018 0.000 0.608 314 A CB -0.874 18.113 19.000 -0.023 0.000 0.839 314 A HN 0.172 nan 8.150 nan 0.000 0.443 315 L N -0.807 120.407 121.223 -0.016 0.000 2.079 315 L HA -0.222 4.118 4.340 -0.001 0.000 0.210 315 L C 2.850 179.758 176.870 0.063 0.000 1.081 315 L CA 1.797 56.639 54.840 0.004 0.000 0.752 315 L CB -0.421 41.618 42.059 -0.034 0.000 0.896 315 L HN 0.490 nan 8.230 nan 0.000 0.433 316 R N 0.017 120.555 120.500 0.063 0.000 2.081 316 R HA -0.195 4.145 4.340 -0.001 0.000 0.235 316 R C 2.300 178.674 176.300 0.122 0.000 1.131 316 R CA 1.506 57.698 56.100 0.152 0.000 0.960 316 R CB -0.212 30.155 30.300 0.112 0.000 0.856 316 R HN 0.359 nan 8.270 nan 0.000 0.436 317 A N 0.817 123.656 122.820 0.032 0.000 1.933 317 A HA -0.118 4.201 4.320 -0.001 0.000 0.218 317 A C 2.117 179.673 177.584 -0.046 0.000 1.175 317 A CA 1.290 53.313 52.037 -0.024 0.000 0.628 317 A CB -0.404 18.579 19.000 -0.029 0.000 0.814 317 A HN 0.354 nan 8.150 nan 0.000 0.444 318 I N -2.339 118.224 120.570 -0.011 0.000 2.252 318 I HA -0.234 3.935 4.170 -0.001 0.000 0.245 318 I C 2.398 178.488 176.117 -0.045 0.000 1.102 318 I CA 1.453 62.738 61.300 -0.026 0.000 1.385 318 I CB -0.347 37.654 38.000 0.000 0.000 1.064 318 I HN 0.741 nan 8.210 nan 0.000 0.414 319 W N 2.503 123.702 121.300 -0.169 0.000 2.355 319 W HA -0.204 4.455 4.660 -0.001 0.000 0.309 319 W C 2.236 178.577 176.519 -0.297 0.000 1.206 319 W CA 1.498 58.682 57.345 -0.269 0.000 1.284 319 W CB -0.341 28.907 29.460 -0.353 0.000 1.145 319 W HN 0.054 nan 8.180 nan 0.000 0.502 320 E N -0.198 119.582 120.200 -0.699 0.000 2.267 320 E HA -0.306 4.043 4.350 -0.001 0.000 0.197 320 E C 1.944 178.167 176.600 -0.628 0.000 0.998 320 E CA 1.437 57.279 56.400 -0.931 0.000 0.830 320 E CB -0.229 29.124 29.700 -0.580 0.000 0.751 320 E HN 0.312 nan 8.360 nan 0.000 0.491 321 Q N 1.084 120.635 119.800 -0.414 0.000 2.163 321 Q HA -0.104 4.235 4.340 -0.001 0.000 0.198 321 Q C 1.562 177.382 176.000 -0.300 0.000 0.954 321 Q CA 1.244 56.871 55.803 -0.292 0.000 0.851 321 Q CB 0.224 28.854 28.738 -0.181 0.000 0.928 321 Q HN 0.266 nan 8.270 nan 0.000 0.459 322 E N -0.039 119.970 120.200 -0.319 0.000 2.051 322 E HA -0.189 4.160 4.350 -0.001 0.000 0.192 322 E C 1.869 178.226 176.600 -0.404 0.000 0.991 322 E CA 1.104 57.336 56.400 -0.280 0.000 0.799 322 E CB -0.272 29.306 29.700 -0.202 0.000 0.748 322 E HN 0.258 nan 8.360 nan 0.000 0.449 323 L N 1.439 122.282 121.223 -0.633 0.000 1.971 323 L HA -0.193 4.146 4.340 -0.001 0.000 0.215 323 L C 2.311 178.844 176.870 -0.561 0.000 1.072 323 L CA 2.132 56.541 54.840 -0.719 0.000 0.758 323 L CB -1.063 40.370 42.059 -1.042 0.000 0.889 323 L HN 0.035 nan 8.230 nan 0.000 0.433 324 T N -0.276 113.986 114.554 -0.485 0.000 2.737 324 T HA -0.184 4.165 4.350 -0.001 0.000 0.269 324 T C 1.456 176.017 174.700 -0.231 0.000 1.040 324 T CA 1.590 63.495 62.100 -0.326 0.000 1.142 324 T CB -0.393 68.312 68.868 -0.272 0.000 0.861 324 T HN 0.448 nan 8.240 nan 0.000 0.456 325 D N 0.689 120.957 120.400 -0.221 0.000 2.144 325 D HA 0.011 4.650 4.640 -0.001 0.000 0.200 325 D C 2.067 178.303 176.300 -0.106 0.000 0.978 325 D CA 0.885 54.808 54.000 -0.128 0.000 0.833 325 D CB -0.256 40.490 40.800 -0.090 0.000 0.961 325 D HN 0.416 nan 8.370 nan 0.000 0.470 326 M N 0.133 119.583 119.600 -0.249 0.000 2.077 326 M HA -0.117 4.363 4.480 -0.001 0.000 0.261 326 M C 2.378 178.660 176.300 -0.031 0.000 1.070 326 M CA 1.156 56.262 55.300 -0.323 0.000 1.125 326 M CB -0.150 32.033 32.600 -0.696 0.000 1.339 326 M HN -0.098 nan 8.290 nan 0.000 0.409 327 R N 0.711 121.141 120.500 -0.117 0.000 2.082 327 R HA -0.220 4.119 4.340 -0.001 0.000 0.234 327 R C 2.044 178.372 176.300 0.047 0.000 1.136 327 R CA 2.122 58.226 56.100 0.006 0.000 0.935 327 R CB -0.400 29.838 30.300 -0.103 0.000 0.842 327 R HN 0.461 nan 8.270 nan 0.000 0.430 328 Q N -0.315 119.482 119.800 -0.005 0.000 2.197 328 Q HA -0.203 4.137 4.340 -0.001 0.000 0.207 328 Q C 2.300 178.334 176.000 0.057 0.000 0.984 328 Q CA 1.626 57.439 55.803 0.017 0.000 0.869 328 Q CB -0.167 28.564 28.738 -0.012 0.000 0.906 328 Q HN 0.323 nan 8.270 nan 0.000 0.426 329 R N 0.519 121.076 120.500 0.094 0.000 2.092 329 R HA -0.100 4.239 4.340 -0.001 0.000 0.231 329 R C 2.036 178.419 176.300 0.138 0.000 1.119 329 R CA 0.950 57.131 56.100 0.135 0.000 0.970 329 R CB -0.091 30.346 30.300 0.228 0.000 0.864 329 R HN 0.276 nan 8.270 nan 0.000 0.440 330 I N 1.071 121.746 120.570 0.175 0.000 2.202 330 I HA -0.292 3.877 4.170 -0.001 0.000 0.242 330 I C 2.371 178.538 176.117 0.083 0.000 1.091 330 I CA 1.278 62.660 61.300 0.137 0.000 1.368 330 I CB -0.282 37.820 38.000 0.170 0.000 1.058 330 I HN 0.218 nan 8.210 nan 0.000 0.410 331 Q N 0.596 120.446 119.800 0.083 0.000 2.197 331 Q HA -0.224 4.115 4.340 -0.001 0.000 0.207 331 Q C 2.272 178.305 176.000 0.054 0.000 0.984 331 Q CA 1.286 57.127 55.803 0.064 0.000 0.869 331 Q CB -0.332 28.439 28.738 0.055 0.000 0.906 331 Q HN 0.569 nan 8.270 nan 0.000 0.426 332 R N -0.003 120.529 120.500 0.053 0.000 2.062 332 R HA 0.019 4.358 4.340 -0.001 0.000 0.229 332 R C 2.295 178.622 176.300 0.045 0.000 1.128 332 R CA 0.971 57.098 56.100 0.045 0.000 0.960 332 R CB -0.181 30.144 30.300 0.041 0.000 0.855 332 R HN 0.247 nan 8.270 nan 0.000 0.432 333 M N 0.498 120.123 119.600 0.041 0.000 2.202 333 M HA -0.132 4.347 4.480 -0.001 0.000 0.262 333 M C 2.094 178.429 176.300 0.059 0.000 1.063 333 M CA 1.426 56.743 55.300 0.029 0.000 1.097 333 M CB -0.771 31.822 32.600 -0.011 0.000 1.382 333 M HN 0.066 nan 8.290 nan 0.000 0.413 334 R N 0.556 121.092 120.500 0.060 0.000 2.096 334 R HA -0.166 4.173 4.340 -0.001 0.000 0.229 334 R C 2.394 178.762 176.300 0.114 0.000 1.134 334 R CA 1.919 58.075 56.100 0.093 0.000 0.917 334 R CB -0.218 30.124 30.300 0.070 0.000 0.832 334 R HN 0.475 nan 8.270 nan 0.000 0.430 335 Q N 0.177 120.018 119.800 0.068 0.000 2.170 335 Q HA -0.196 4.143 4.340 -0.001 0.000 0.203 335 Q C 2.152 178.177 176.000 0.042 0.000 0.976 335 Q CA 1.187 57.016 55.803 0.043 0.000 0.858 335 Q CB -0.353 28.402 28.738 0.030 0.000 0.907 335 Q HN 0.321 nan 8.270 nan 0.000 0.433 336 L N 0.325 121.583 121.223 0.059 0.000 2.156 336 L HA -0.076 4.263 4.340 -0.001 0.000 0.208 336 L C 2.135 179.052 176.870 0.078 0.000 1.095 336 L CA 1.177 56.048 54.840 0.052 0.000 0.770 336 L CB -0.497 41.590 42.059 0.047 0.000 0.914 336 L HN 0.050 nan 8.230 nan 0.000 0.439 337 F N -0.056 119.854 119.950 -0.067 0.000 2.051 337 F HA -0.180 4.346 4.527 -0.001 0.000 0.296 337 F C 2.501 178.230 175.800 -0.119 0.000 1.122 337 F CA 2.185 60.123 58.000 -0.103 0.000 1.201 337 F CB -1.117 37.813 39.000 -0.116 0.000 0.978 337 F HN 0.035 nan 8.300 nan 0.000 0.472 338 V N 0.499 120.298 119.914 -0.192 0.000 2.282 338 V HA -0.340 3.779 4.120 -0.001 0.000 0.249 338 V C 1.967 177.942 176.094 -0.199 0.000 1.057 338 V CA 2.772 64.892 62.300 -0.301 0.000 1.032 338 V CB -1.248 30.475 31.823 -0.167 0.000 0.645 338 V HN 0.501 nan 8.190 nan 0.000 0.447 339 N N 0.471 119.111 118.700 -0.102 0.000 2.084 339 N HA -0.137 4.602 4.740 -0.001 0.000 0.190 339 N C 1.888 177.351 175.510 -0.079 0.000 1.030 339 N CA 2.341 55.350 53.050 -0.067 0.000 0.849 339 N CB -0.567 37.902 38.487 -0.030 0.000 1.012 339 N HN 0.633 nan 8.380 nan 0.000 0.423 340 T N 1.301 115.806 114.554 -0.082 0.000 2.684 340 T HA -0.116 4.233 4.350 -0.001 0.000 0.267 340 T C 1.748 176.373 174.700 -0.124 0.000 1.036 340 T CA 0.639 62.694 62.100 -0.076 0.000 1.148 340 T CB -0.381 68.466 68.868 -0.035 0.000 0.863 340 T HN 0.021 nan 8.240 nan 0.000 0.436 341 L N 1.537 122.616 121.223 -0.240 0.000 1.963 341 L HA -0.191 4.148 4.340 -0.001 0.000 0.220 341 L C 2.734 179.532 176.870 -0.121 0.000 1.076 341 L CA 1.810 56.486 54.840 -0.272 0.000 0.772 341 L CB -1.370 40.399 42.059 -0.484 0.000 0.892 341 L HN 0.377 nan 8.230 nan 0.000 0.435 342 Q N -0.139 119.606 119.800 -0.092 0.000 1.985 342 Q HA -0.294 4.045 4.340 -0.001 0.000 0.207 342 Q C 1.972 177.951 176.000 -0.035 0.000 0.996 342 Q CA 2.283 58.063 55.803 -0.038 0.000 0.851 342 Q CB -0.503 28.215 28.738 -0.033 0.000 0.921 342 Q HN 0.625 nan 8.270 nan 0.000 0.418 343 E N -0.151 120.024 120.200 -0.042 0.000 2.501 343 E HA -0.177 4.172 4.350 -0.001 0.000 0.203 343 E C 0.701 177.282 176.600 -0.032 0.000 1.072 343 E CA 0.715 57.096 56.400 -0.032 0.000 0.885 343 E CB 0.172 29.853 29.700 -0.030 0.000 0.813 343 E HN 0.114 nan 8.360 nan 0.000 0.556 344 K N -1.785 118.591 120.400 -0.040 0.000 2.477 344 K HA 0.185 4.504 4.320 -0.001 0.000 0.208 344 K C 0.221 176.802 176.600 -0.031 0.000 1.117 344 K CA 0.447 56.711 56.287 -0.038 0.000 1.039 344 K CB 1.356 33.822 32.500 -0.057 0.000 0.937 344 K HN 0.203 nan 8.250 nan 0.000 0.570 345 G N 0.504 109.292 108.800 -0.021 0.000 1.672 345 G HA2 0.089 4.048 3.960 -0.001 0.000 0.110 345 G HA3 0.089 4.048 3.960 -0.001 0.000 0.110 345 G C -0.833 174.072 174.900 0.008 0.000 1.946 345 G CA -0.108 44.987 45.100 -0.008 0.000 1.302 345 G HN 0.699 nan 8.290 nan 0.000 0.416 346 A N 0.455 123.290 122.820 0.025 0.000 1.411 346 A HA 0.043 4.362 4.320 -0.001 0.000 0.183 346 A C 1.284 178.902 177.584 0.057 0.000 1.192 346 A CA 1.916 54.004 52.037 0.085 0.000 0.677 346 A CB -1.198 17.900 19.000 0.164 0.000 1.075 346 A HN 2.324 nan 8.150 nan 0.000 0.161 347 N N 2.578 121.306 118.700 0.046 0.000 2.106 347 N HA -0.115 4.624 4.740 -0.001 0.000 0.188 347 N C 0.820 176.310 175.510 -0.033 0.000 1.029 347 N CA 1.585 54.639 53.050 0.007 0.000 0.848 347 N CB -0.274 38.215 38.487 0.004 0.000 1.007 347 N HN 0.884 nan 8.380 nan 0.000 0.423 348 R N 0.062 120.510 120.500 -0.087 0.000 2.801 348 R HA 0.162 4.502 4.340 -0.001 0.000 0.273 348 R C -0.724 175.417 176.300 -0.265 0.000 1.080 348 R CA -0.263 55.682 56.100 -0.257 0.000 1.197 348 R CB -0.048 29.915 30.300 -0.562 0.000 1.109 348 R HN 0.288 nan 8.270 nan 0.000 0.535 349 D N -0.183 120.053 120.400 -0.274 0.000 2.349 349 D HA 0.140 4.779 4.640 -0.001 0.000 0.232 349 D C -0.744 175.420 176.300 -0.227 0.000 1.071 349 D CA -0.495 53.416 54.000 -0.148 0.000 0.832 349 D CB 0.516 41.290 40.800 -0.043 0.000 1.086 349 D HN 0.377 nan 8.370 nan 0.000 0.504 350 F N 1.820 121.689 119.950 -0.135 0.000 2.641 350 F HA 0.094 4.620 4.527 -0.001 0.000 0.302 350 F C 2.375 177.791 175.800 -0.640 0.000 1.098 350 F CA -0.106 57.633 58.000 -0.434 0.000 1.318 350 F CB 0.106 38.838 39.000 -0.445 0.000 1.035 350 F HN 0.454 nan 8.300 nan 0.000 0.551 351 S N 0.471 116.066 115.700 -0.174 0.000 2.440 351 S HA -0.291 4.178 4.470 -0.001 0.000 0.238 351 S C 2.005 176.510 174.600 -0.158 0.000 1.010 351 S CA 1.364 59.486 58.200 -0.129 0.000 0.972 351 S CB -1.370 61.822 63.200 -0.014 0.000 0.774 351 S HN 0.511 nan 8.310 nan 0.000 0.501 352 F N 1.041 120.984 119.950 -0.011 0.000 2.408 352 F HA 0.215 4.741 4.527 -0.001 0.000 0.300 352 F C 1.829 177.677 175.800 0.081 0.000 1.090 352 F CA -0.023 57.983 58.000 0.011 0.000 1.427 352 F CB -0.791 38.151 39.000 -0.097 0.000 1.070 352 F HN 0.147 nan 8.300 nan 0.000 0.549 353 I N 1.133 121.312 120.570 -0.651 0.000 2.530 353 I HA -0.249 3.920 4.170 -0.001 0.000 0.257 353 I C 2.042 178.154 176.117 -0.009 0.000 1.179 353 I CA 1.105 62.239 61.300 -0.277 0.000 1.440 353 I CB -0.318 37.503 38.000 -0.298 0.000 1.087 353 I HN 0.288 nan 8.210 nan 0.000 0.440 354 I N 0.603 121.168 120.570 -0.008 0.000 3.226 354 I HA -0.140 4.029 4.170 -0.001 0.000 0.277 354 I C 1.653 177.820 176.117 0.084 0.000 1.243 354 I CA 0.788 62.115 61.300 0.045 0.000 1.459 354 I CB -0.455 37.562 38.000 0.028 0.000 1.093 354 I HN 0.282 nan 8.210 nan 0.000 0.453 355 K N 0.924 121.396 120.400 0.120 0.000 2.404 355 K HA 0.161 4.480 4.320 -0.001 0.000 0.194 355 K C 0.464 177.161 176.600 0.161 0.000 1.023 355 K CA -0.001 56.369 56.287 0.138 0.000 1.094 355 K CB 0.083 32.673 32.500 0.150 0.000 0.841 355 K HN 0.342 nan 8.250 nan 0.000 0.523 356 Q N 1.497 121.401 119.800 0.174 0.000 2.259 356 Q HA 0.213 4.553 4.340 -0.001 0.000 0.249 356 Q C -0.788 175.296 176.000 0.140 0.000 0.914 356 Q CA -0.299 55.614 55.803 0.184 0.000 0.904 356 Q CB 1.185 30.057 28.738 0.222 0.000 1.213 356 Q HN 0.225 nan 8.270 nan 0.000 0.428 357 N N -0.105 118.677 118.700 0.137 0.000 2.472 357 N HA 0.624 5.363 4.740 -0.001 0.000 0.289 357 N C -0.090 175.450 175.510 0.049 0.000 1.156 357 N CA -0.106 53.011 53.050 0.112 0.000 0.940 357 N CB 1.468 40.041 38.487 0.144 0.000 1.200 357 N HN 0.753 nan 8.380 nan 0.000 0.511 358 G N 0.310 109.126 108.800 0.026 0.000 2.593 358 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.237 358 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.237 358 G C 0.630 175.393 174.900 -0.228 0.000 1.312 358 G CA -0.166 44.857 45.100 -0.128 0.000 0.896 358 G HN 0.470 nan 8.290 nan 0.000 0.574 359 M N -0.430 118.836 119.600 -0.557 0.000 2.229 359 M HA 0.162 4.641 4.480 -0.001 0.000 0.264 359 M C 0.636 176.585 176.300 -0.586 0.000 1.063 359 M CA 1.512 56.416 55.300 -0.660 0.000 1.114 359 M CB -0.234 31.689 32.600 -1.129 0.000 1.387 359 M HN 0.301 nan 8.290 nan 0.000 0.420 360 F N -0.597 119.297 119.950 -0.093 0.000 2.556 360 F HA 0.436 4.962 4.527 -0.002 0.000 0.327 360 F C 0.380 176.194 175.800 0.023 0.000 1.059 360 F CA -1.413 56.566 58.000 -0.034 0.000 0.953 360 F CB 1.114 40.103 39.000 -0.019 0.000 1.227 360 F HN -0.174 nan 8.300 nan 0.000 0.478 361 S N 0.637 116.519 115.700 0.304 0.000 2.503 361 S HA 0.604 5.073 4.470 -0.001 0.000 0.301 361 S C -1.222 173.635 174.600 0.428 0.000 1.087 361 S CA -0.581 57.806 58.200 0.312 0.000 1.042 361 S CB 1.302 64.646 63.200 0.240 0.000 1.043 361 S HN 0.438 nan 8.310 nan 0.000 0.489 362 F N 3.968 124.065 119.950 0.245 0.000 2.406 362 F HA 0.320 4.846 4.527 -0.001 0.000 0.358 362 F C 1.786 177.830 175.800 0.406 0.000 1.161 362 F CA -1.457 56.672 58.000 0.215 0.000 1.185 362 F CB 0.232 39.259 39.000 0.046 0.000 1.421 362 F HN 0.893 nan 8.300 nan 0.000 0.576 363 S N 2.491 118.417 115.700 0.377 0.000 2.442 363 S HA -0.013 4.456 4.470 -0.001 0.000 0.236 363 S C 1.726 176.619 174.600 0.488 0.000 1.007 363 S CA 0.762 59.232 58.200 0.450 0.000 0.965 363 S CB -0.715 62.675 63.200 0.318 0.000 0.773 363 S HN 1.317 nan 8.310 nan 0.000 0.504 364 G N 0.305 109.217 108.800 0.185 0.000 2.160 364 G HA2 -0.192 3.767 3.960 -0.001 0.000 0.244 364 G HA3 -0.192 3.767 3.960 -0.001 0.000 0.244 364 G C -0.325 174.658 174.900 0.138 0.000 1.022 364 G CA 0.240 45.426 45.100 0.143 0.000 0.741 364 G HN 0.537 nan 8.290 nan 0.000 0.508 365 L N 1.125 122.409 121.223 0.101 0.000 2.343 365 L HA 0.775 5.114 4.340 -0.001 0.000 0.275 365 L C 1.300 178.186 176.870 0.026 0.000 1.056 365 L CA 0.268 55.167 54.840 0.099 0.000 0.804 365 L CB 1.505 43.630 42.059 0.110 0.000 1.203 365 L HN 0.440 nan 8.230 nan 0.000 0.440 366 T N 0.196 114.770 114.554 0.034 0.000 2.847 366 T HA 0.255 4.604 4.350 -0.001 0.000 0.279 366 T C 1.212 175.922 174.700 0.016 0.000 0.984 366 T CA 0.117 62.225 62.100 0.013 0.000 0.988 366 T CB 0.679 69.558 68.868 0.017 0.000 1.040 366 T HN 0.726 nan 8.240 nan 0.000 0.528 367 K N 0.712 121.118 120.400 0.011 0.000 2.103 367 K HA -0.180 4.139 4.320 -0.001 0.000 0.207 367 K C 1.713 178.324 176.600 0.017 0.000 1.048 367 K CA 1.973 58.269 56.287 0.015 0.000 0.930 367 K CB -0.280 32.228 32.500 0.014 0.000 0.716 367 K HN 0.646 nan 8.250 nan 0.000 0.444 368 E N 0.932 121.143 120.200 0.019 0.000 2.152 368 E HA -0.097 4.252 4.350 -0.001 0.000 0.192 368 E C 2.142 178.762 176.600 0.033 0.000 0.983 368 E CA 1.161 57.574 56.400 0.021 0.000 0.818 368 E CB 0.014 29.726 29.700 0.020 0.000 0.758 368 E HN 0.423 nan 8.360 nan 0.000 0.467 369 Q N 0.005 119.830 119.800 0.042 0.000 2.079 369 Q HA -0.124 4.215 4.340 -0.001 0.000 0.200 369 Q C 2.424 178.459 176.000 0.060 0.000 0.974 369 Q CA 1.615 57.455 55.803 0.061 0.000 0.840 369 Q CB -0.147 28.632 28.738 0.068 0.000 0.898 369 Q HN 0.373 nan 8.270 nan 0.000 0.430 370 V N -0.729 119.210 119.914 0.041 0.000 2.427 370 V HA -0.192 3.927 4.120 -0.001 0.000 0.248 370 V C 1.950 178.046 176.094 0.004 0.000 1.051 370 V CA 1.273 63.590 62.300 0.028 0.000 1.048 370 V CB -0.515 31.324 31.823 0.027 0.000 0.666 370 V HN 0.351 nan 8.190 nan 0.000 0.456 371 L N 0.747 121.972 121.223 0.003 0.000 2.042 371 L HA -0.156 4.184 4.340 -0.001 0.000 0.210 371 L C 2.810 179.666 176.870 -0.023 0.000 1.076 371 L CA 2.827 57.657 54.840 -0.018 0.000 0.749 371 L CB -1.131 40.925 42.059 -0.006 0.000 0.893 371 L HN 0.518 nan 8.230 nan 0.000 0.432 372 R N -0.548 119.961 120.500 0.016 0.000 2.066 372 R HA -0.144 4.195 4.340 -0.001 0.000 0.232 372 R C 2.462 178.816 176.300 0.090 0.000 1.131 372 R CA 1.232 57.354 56.100 0.036 0.000 0.955 372 R CB -0.288 30.065 30.300 0.088 0.000 0.851 372 R HN 0.332 nan 8.270 nan 0.000 0.432 373 L N 0.514 121.828 121.223 0.153 0.000 2.013 373 L HA -0.249 4.090 4.340 -0.001 0.000 0.212 373 L C 2.895 179.816 176.870 0.085 0.000 1.073 373 L CA 1.869 56.853 54.840 0.241 0.000 0.753 373 L CB -0.565 41.561 42.059 0.111 0.000 0.890 373 L HN 0.338 nan 8.230 nan 0.000 0.432 374 R N 0.146 120.586 120.500 -0.099 0.000 2.151 374 R HA -0.212 4.127 4.340 -0.001 0.000 0.220 374 R C 2.193 178.378 176.300 -0.191 0.000 1.120 374 R CA 1.774 57.686 56.100 -0.312 0.000 0.882 374 R CB -0.272 29.749 30.300 -0.464 0.000 0.806 374 R HN 0.117 nan 8.270 nan 0.000 0.440 375 E N 0.701 120.812 120.200 -0.149 0.000 2.082 375 E HA -0.259 4.090 4.350 -0.001 0.000 0.215 375 E C 1.886 178.382 176.600 -0.172 0.000 1.048 375 E CA 1.937 58.263 56.400 -0.123 0.000 0.869 375 E CB -0.384 29.256 29.700 -0.100 0.000 0.773 375 E HN 0.426 nan 8.360 nan 0.000 0.466 376 E N -1.359 118.687 120.200 -0.257 0.000 2.006 376 E HA -0.102 4.247 4.350 -0.001 0.000 0.192 376 E C 1.788 177.988 176.600 -0.668 0.000 0.993 376 E CA 1.097 57.158 56.400 -0.566 0.000 0.808 376 E CB -0.111 29.033 29.700 -0.927 0.000 0.764 376 E HN 0.264 nan 8.360 nan 0.000 0.449 377 F N -1.160 118.776 119.950 -0.024 0.000 2.695 377 F HA 0.311 4.837 4.527 -0.001 0.000 0.303 377 F C 1.414 177.217 175.800 0.006 0.000 1.091 377 F CA 0.428 58.424 58.000 -0.007 0.000 1.300 377 F CB 0.842 39.842 39.000 0.001 0.000 1.071 377 F HN 0.142 nan 8.300 nan 0.000 0.578 378 G N 0.954 109.811 108.800 0.094 0.000 2.143 378 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.248 378 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.248 378 G C -0.118 174.919 174.900 0.230 0.000 0.991 378 G CA 0.118 45.301 45.100 0.139 0.000 0.689 378 G HN 0.185 nan 8.290 nan 0.000 0.522 379 V N 0.531 120.526 119.914 0.135 0.000 2.439 379 V HA 0.583 4.703 4.120 -0.001 0.000 0.282 379 V C -0.103 176.014 176.094 0.040 0.000 1.039 379 V CA -0.929 61.475 62.300 0.173 0.000 0.913 379 V CB 1.155 33.047 31.823 0.116 0.000 0.983 379 V HN 0.208 nan 8.190 nan 0.000 0.460 380 Y N 3.023 123.411 120.300 0.146 0.000 2.331 380 Y HA 0.721 5.270 4.550 -0.001 0.000 0.338 380 Y C 0.423 176.355 175.900 0.052 0.000 0.976 380 Y CA -0.378 57.795 58.100 0.122 0.000 1.137 380 Y CB 1.659 40.215 38.460 0.159 0.000 1.172 380 Y HN 0.760 nan 8.280 nan 0.000 0.478 381 A N 2.611 125.502 122.820 0.119 0.000 2.454 381 A HA 0.760 5.079 4.320 -0.001 0.000 0.302 381 A C -0.991 176.647 177.584 0.090 0.000 1.079 381 A CA -0.778 51.315 52.037 0.095 0.000 0.731 381 A CB 0.944 19.983 19.000 0.066 0.000 1.299 381 A HN 0.480 nan 8.150 nan 0.000 0.413 382 V N 1.086 121.051 119.914 0.086 0.000 3.237 382 V HA 0.260 4.379 4.120 -0.001 0.000 0.305 382 V C 1.857 177.991 176.094 0.066 0.000 1.096 382 V CA 1.006 63.350 62.300 0.073 0.000 1.130 382 V CB 1.379 33.234 31.823 0.053 0.000 1.048 382 V HN 1.279 nan 8.190 nan 0.000 0.484 383 A N 2.008 124.862 122.820 0.056 0.000 2.067 383 A HA -0.080 4.239 4.320 -0.001 0.000 0.219 383 A C 2.148 179.763 177.584 0.051 0.000 1.158 383 A CA 1.536 53.600 52.037 0.045 0.000 0.661 383 A CB -0.552 18.469 19.000 0.035 0.000 0.801 383 A HN 0.966 nan 8.150 nan 0.000 0.452 384 S N -1.216 114.540 115.700 0.093 0.000 2.469 384 S HA 0.238 4.707 4.470 -0.001 0.000 0.238 384 S C 1.520 176.115 174.600 -0.007 0.000 0.998 384 S CA 0.959 59.243 58.200 0.140 0.000 0.957 384 S CB -0.503 62.938 63.200 0.401 0.000 0.764 384 S HN 1.818 nan 8.310 nan 0.000 0.514 385 G N 1.397 110.215 108.800 0.029 0.000 2.131 385 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.223 385 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.223 385 G C 0.040 174.991 174.900 0.085 0.000 0.990 385 G CA -0.103 44.998 45.100 0.001 0.000 0.671 385 G HN 0.578 nan 8.290 nan 0.000 0.521 386 R N 0.538 121.152 120.500 0.190 0.000 2.298 386 R HA 0.503 4.843 4.340 -0.001 0.000 0.310 386 R C 0.219 176.618 176.300 0.165 0.000 1.068 386 R CA 0.375 56.637 56.100 0.269 0.000 0.957 386 R CB 0.903 31.320 30.300 0.196 0.000 1.003 386 R HN 0.681 nan 8.270 nan 0.000 0.454 387 V N 1.854 121.881 119.914 0.188 0.000 2.555 387 V HA 0.376 4.495 4.120 -0.001 0.000 0.302 387 V C -0.004 176.205 176.094 0.193 0.000 1.038 387 V CA -1.127 61.242 62.300 0.115 0.000 0.887 387 V CB 1.620 33.429 31.823 -0.023 0.000 0.991 387 V HN 0.828 nan 8.190 nan 0.000 0.434 388 N N 2.817 121.622 118.700 0.175 0.000 2.402 388 N HA 0.235 4.974 4.740 -0.001 0.000 0.252 388 N C 0.781 176.239 175.510 -0.087 0.000 1.118 388 N CA -0.420 52.709 53.050 0.133 0.000 0.945 388 N CB 1.536 40.094 38.487 0.119 0.000 1.147 388 N HN 0.625 nan 8.380 nan 0.000 0.495 389 V N 3.916 123.748 119.914 -0.137 0.000 2.427 389 V HA -0.194 3.925 4.120 -0.001 0.000 0.248 389 V C 2.292 178.295 176.094 -0.151 0.000 1.051 389 V CA 1.984 64.164 62.300 -0.200 0.000 1.048 389 V CB -0.722 31.002 31.823 -0.166 0.000 0.666 389 V HN 0.860 nan 8.190 nan 0.000 0.456 390 A N 0.421 123.178 122.820 -0.104 0.000 2.186 390 A HA -0.079 4.240 4.320 -0.001 0.000 0.219 390 A C 2.125 179.656 177.584 -0.087 0.000 1.159 390 A CA 1.642 53.651 52.037 -0.046 0.000 0.680 390 A CB -0.685 18.349 19.000 0.057 0.000 0.787 390 A HN 0.576 nan 8.150 nan 0.000 0.467 391 G N -1.818 106.886 108.800 -0.160 0.000 3.088 391 G HA2 0.374 4.333 3.960 -0.001 0.000 0.217 391 G HA3 0.374 4.333 3.960 -0.001 0.000 0.217 391 G C 0.452 175.106 174.900 -0.409 0.000 1.159 391 G CA -0.356 44.467 45.100 -0.461 0.000 0.760 391 G HN 0.422 nan 8.290 nan 0.000 0.550 392 M N 1.827 121.272 119.600 -0.259 0.000 2.277 392 M HA 0.424 4.904 4.480 -0.001 0.000 0.350 392 M C 0.102 176.314 176.300 -0.147 0.000 1.180 392 M CA -0.067 55.108 55.300 -0.208 0.000 1.103 392 M CB 1.824 34.296 32.600 -0.212 0.000 1.577 392 M HN 0.126 nan 8.290 nan 0.000 0.459 393 T N -0.494 113.994 114.554 -0.110 0.000 2.900 393 T HA 0.479 4.829 4.350 -0.001 0.000 0.303 393 T C -2.516 172.164 174.700 -0.034 0.000 1.142 393 T CA -1.771 60.290 62.100 -0.065 0.000 1.007 393 T CB 1.745 70.576 68.868 -0.061 0.000 1.156 393 T HN 0.314 nan 8.240 nan 0.000 0.490 394 P HA -0.097 nan 4.420 nan 0.000 0.218 394 P C 0.850 178.148 177.300 -0.003 0.000 1.146 394 P CA 1.142 64.240 63.100 -0.003 0.000 0.820 394 P CB 0.079 31.781 31.700 0.004 0.000 0.778 395 D N -0.807 119.588 120.400 -0.008 0.000 2.183 395 D HA -0.077 4.562 4.640 -0.001 0.000 0.205 395 D C 1.353 177.649 176.300 -0.006 0.000 0.962 395 D CA 1.081 55.078 54.000 -0.004 0.000 0.849 395 D CB -0.460 40.340 40.800 -0.000 0.000 0.978 395 D HN 0.350 nan 8.370 nan 0.000 0.488 396 N N 0.399 119.088 118.700 -0.019 0.000 2.336 396 N HA -0.046 4.693 4.740 -0.001 0.000 0.189 396 N C 1.557 177.059 175.510 -0.012 0.000 1.113 396 N CA 0.099 53.138 53.050 -0.018 0.000 0.858 396 N CB -0.238 38.227 38.487 -0.037 0.000 0.970 396 N HN -0.031 nan 8.380 nan 0.000 0.471 397 M N 1.199 120.794 119.600 -0.008 0.000 2.082 397 M HA -0.065 4.414 4.480 -0.001 0.000 0.258 397 M C 1.975 178.285 176.300 0.016 0.000 1.071 397 M CA 1.813 57.121 55.300 0.013 0.000 1.103 397 M CB -0.750 31.864 32.600 0.023 0.000 1.307 397 M HN 0.299 nan 8.290 nan 0.000 0.409 398 A N 0.279 123.101 122.820 0.004 0.000 1.849 398 A HA -0.146 4.173 4.320 -0.001 0.000 0.217 398 A C -0.211 177.366 177.584 -0.011 0.000 1.202 398 A CA 2.166 54.200 52.037 -0.004 0.000 0.629 398 A CB -2.486 16.512 19.000 -0.003 0.000 0.834 398 A HN 0.472 nan 8.150 nan 0.000 0.447 399 P HA -0.165 nan 4.420 nan 0.000 0.216 399 P C 1.765 179.053 177.300 -0.019 0.000 1.153 399 P CA 1.417 64.515 63.100 -0.004 0.000 0.858 399 P CB -0.292 31.419 31.700 0.018 0.000 0.789 400 L N -0.446 120.774 121.223 -0.005 0.000 2.012 400 L HA -0.138 4.201 4.340 -0.001 0.000 0.210 400 L C 2.147 179.006 176.870 -0.018 0.000 1.073 400 L CA 2.078 56.916 54.840 -0.002 0.000 0.748 400 L CB -1.499 40.565 42.059 0.007 0.000 0.891 400 L HN -0.079 nan 8.230 nan 0.000 0.431 401 C N -0.031 119.264 119.300 -0.008 0.000 2.448 401 C HA -0.024 4.435 4.460 -0.001 0.000 0.280 401 C C 2.520 177.450 174.990 -0.101 0.000 1.398 401 C CA 0.813 59.803 59.018 -0.046 0.000 1.774 401 C CB -1.091 26.620 27.740 -0.048 0.000 1.888 401 C HN 0.653 nan 8.230 nan 0.000 0.519 402 E N 0.805 120.941 120.200 -0.105 0.000 2.102 402 E HA 0.008 4.357 4.350 -0.001 0.000 0.190 402 E C 2.250 178.691 176.600 -0.265 0.000 0.971 402 E CA 0.938 57.255 56.400 -0.137 0.000 0.821 402 E CB -0.207 29.439 29.700 -0.089 0.000 0.777 402 E HN 0.554 nan 8.360 nan 0.000 0.460 403 A N 0.572 123.184 122.820 -0.347 0.000 2.216 403 A HA -0.061 4.258 4.320 -0.001 0.000 0.214 403 A C 1.923 179.191 177.584 -0.526 0.000 1.160 403 A CA 0.685 52.266 52.037 -0.760 0.000 0.725 403 A CB -0.378 18.233 19.000 -0.648 0.000 0.784 403 A HN 0.149 nan 8.150 nan 0.000 0.472 404 I N -1.075 119.339 120.570 -0.260 0.000 2.585 404 I HA -0.050 4.119 4.170 -0.001 0.000 0.254 404 I C 1.044 177.084 176.117 -0.129 0.000 1.129 404 I CA 0.214 61.421 61.300 -0.155 0.000 1.455 404 I CB 0.109 38.048 38.000 -0.101 0.000 1.111 404 I HN 0.060 nan 8.210 nan 0.000 0.433 408 V N -2.202 117.701 119.914 -0.018 0.000 3.398 408 V HA 0.491 4.610 4.120 -0.001 0.000 0.298 408 V C 0.705 176.837 176.094 0.063 0.000 1.496 408 V CA -0.205 62.132 62.300 0.063 0.000 1.044 408 V CB -0.575 31.302 31.823 0.091 0.000 0.880 408 V HN 0.279 nan 8.190 nan 0.000 0.443 409 L N 0.000 121.256 121.223 0.054 0.000 2.949 409 L HA 0.000 4.339 4.340 -0.001 0.000 0.249 409 L CA 0.000 54.883 54.840 0.072 0.000 0.813 409 L CB 0.000 42.111 42.059 0.087 0.000 0.961 409 L HN 0.000 nan 8.230 nan 0.000 0.502