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 1ahy_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 0.000 176.220 176.300 -0.134 0.000 1.140 5 M CA 0.000 55.111 55.300 -0.316 0.000 0.988 5 M CB 0.000 32.236 32.600 -0.607 0.000 1.302 6 F N 0.771 120.721 119.950 -0.000 0.000 2.678 6 F HA 0.412 4.938 4.527 -0.001 0.000 0.305 6 F C 1.334 177.134 175.800 -0.001 0.000 1.090 6 F CA 0.077 58.077 58.000 -0.000 0.000 1.272 6 F CB -0.516 38.484 39.000 -0.000 0.000 1.060 6 F HN 0.121 nan 8.300 nan 0.000 0.576 7 E N 0.938 121.212 120.200 0.124 0.000 2.118 7 E HA -0.215 4.135 4.350 -0.001 0.000 0.195 7 E C 1.426 178.065 176.600 0.064 0.000 0.992 7 E CA 1.613 58.057 56.400 0.073 0.000 0.804 7 E CB -0.375 29.342 29.700 0.028 0.000 0.741 7 E HN 0.345 nan 8.360 nan 0.000 0.458 8 N N 0.762 119.502 118.700 0.066 0.000 2.230 8 N HA 0.020 4.759 4.740 -0.001 0.000 0.202 8 N C -0.116 175.424 175.510 0.051 0.000 1.119 8 N CA -0.022 53.056 53.050 0.048 0.000 0.851 8 N CB 0.053 38.562 38.487 0.036 0.000 0.990 8 N HN 0.078 nan 8.380 nan 0.000 0.497 9 I N 1.695 122.308 120.570 0.071 0.000 2.618 9 I HA -0.028 4.142 4.170 -0.001 0.000 0.284 9 I C 0.947 177.078 176.117 0.024 0.000 1.146 9 I CA 0.130 61.458 61.300 0.048 0.000 1.425 9 I CB 0.411 38.435 38.000 0.040 0.000 1.383 9 I HN 0.087 nan 8.210 nan 0.000 0.562 10 T N 4.424 118.986 114.554 0.012 0.000 2.909 10 T HA 0.546 4.895 4.350 -0.001 0.000 0.289 10 T C 0.167 174.864 174.700 -0.005 0.000 1.005 10 T CA -0.770 61.332 62.100 0.005 0.000 1.084 10 T CB 1.275 70.145 68.868 0.003 0.000 0.975 10 T HN 0.704 nan 8.240 nan 0.000 0.509 11 A N 2.914 125.731 122.820 -0.005 0.000 2.488 11 A HA 0.606 4.926 4.320 -0.001 0.000 0.249 11 A C 0.891 178.467 177.584 -0.014 0.000 1.083 11 A CA -0.203 51.827 52.037 -0.011 0.000 0.768 11 A CB -0.658 18.338 19.000 -0.007 0.000 1.017 11 A HN 1.411 nan 8.150 nan 0.000 0.496 12 A N 4.236 127.044 122.820 -0.020 0.000 2.371 12 A HA 0.624 4.943 4.320 -0.001 0.000 0.257 12 A C -1.597 175.975 177.584 -0.020 0.000 1.089 12 A CA -1.120 50.903 52.037 -0.022 0.000 0.794 12 A CB -0.536 18.446 19.000 -0.029 0.000 1.029 12 A HN 0.787 nan 8.150 nan 0.000 0.488 13 P HA 0.459 nan 4.420 nan 0.000 0.274 13 P C -0.177 177.110 177.300 -0.021 0.000 1.237 13 P CA -0.183 62.906 63.100 -0.019 0.000 0.793 13 P CB 0.693 32.380 31.700 -0.021 0.000 0.977 14 A N 0.979 123.790 122.820 -0.015 0.000 2.332 14 A HA 0.156 4.475 4.320 -0.001 0.000 0.258 14 A C 0.351 177.920 177.584 -0.024 0.000 1.087 14 A CA -0.457 51.572 52.037 -0.014 0.000 0.802 14 A CB -0.111 18.889 19.000 0.001 0.000 1.042 14 A HN 0.664 nan 8.150 nan 0.000 0.489 15 D N 1.561 121.943 120.400 -0.030 0.000 2.383 15 D HA 0.129 4.768 4.640 -0.001 0.000 0.252 15 D C -1.374 174.906 176.300 -0.034 0.000 1.166 15 D CA -1.301 52.669 54.000 -0.050 0.000 0.879 15 D CB 1.089 41.857 40.800 -0.054 0.000 1.164 15 D HN 0.168 nan 8.370 nan 0.000 0.462 16 P HA -0.103 nan 4.420 nan 0.000 0.218 16 P C 1.430 178.723 177.300 -0.011 0.000 1.148 16 P CA 1.012 64.094 63.100 -0.031 0.000 0.822 16 P CB 0.482 32.150 31.700 -0.054 0.000 0.784 17 I N -1.800 118.752 120.570 -0.029 0.000 2.594 17 I HA -0.083 4.086 4.170 -0.001 0.000 0.237 17 I C 2.075 178.207 176.117 0.025 0.000 1.071 17 I CA 0.422 61.725 61.300 0.007 0.000 1.427 17 I CB -0.794 37.215 38.000 0.015 0.000 1.218 17 I HN -0.231 nan 8.210 nan 0.000 0.444 18 L N 1.257 122.487 121.223 0.011 0.000 2.127 18 L HA -0.118 4.221 4.340 -0.001 0.000 0.211 18 L C 2.520 179.405 176.870 0.025 0.000 1.089 18 L CA 1.957 56.808 54.840 0.018 0.000 0.757 18 L CB -1.840 40.224 42.059 0.008 0.000 0.899 18 L HN 0.305 nan 8.230 nan 0.000 0.434 19 G N -0.968 107.845 108.800 0.022 0.000 2.442 19 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.219 19 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.219 19 G C 1.694 176.638 174.900 0.073 0.000 1.141 19 G CA 0.537 45.658 45.100 0.036 0.000 0.763 19 G HN 0.336 nan 8.290 nan 0.000 0.554 20 L N 0.534 121.814 121.223 0.095 0.000 2.131 20 L HA -0.089 4.250 4.340 -0.001 0.000 0.210 20 L C 3.412 180.366 176.870 0.140 0.000 1.092 20 L CA 0.907 55.849 54.840 0.171 0.000 0.759 20 L CB -0.470 41.699 42.059 0.183 0.000 0.903 20 L HN 0.352 nan 8.230 nan 0.000 0.435 21 A N 0.159 123.024 122.820 0.076 0.000 1.892 21 A HA -0.275 4.045 4.320 -0.001 0.000 0.218 21 A C 1.918 179.556 177.584 0.089 0.000 1.188 21 A CA 2.150 54.221 52.037 0.056 0.000 0.631 21 A CB -0.566 18.451 19.000 0.028 0.000 0.822 21 A HN 0.368 nan 8.150 nan 0.000 0.447 22 D N -0.190 120.253 120.400 0.072 0.000 2.092 22 D HA -0.147 4.493 4.640 -0.001 0.000 0.193 22 D C 1.881 178.223 176.300 0.069 0.000 0.994 22 D CA 1.494 55.530 54.000 0.060 0.000 0.828 22 D CB -0.409 40.419 40.800 0.047 0.000 0.963 22 D HN 0.347 nan 8.370 nan 0.000 0.450 23 L N -0.107 121.183 121.223 0.111 0.000 2.046 23 L HA -0.117 4.222 4.340 -0.001 0.000 0.208 23 L C 2.278 179.189 176.870 0.068 0.000 1.077 23 L CA 0.881 55.806 54.840 0.142 0.000 0.747 23 L CB -0.673 41.552 42.059 0.277 0.000 0.896 23 L HN -0.032 nan 8.230 nan 0.000 0.432 24 F N 0.606 120.434 119.950 -0.204 0.000 2.065 24 F HA -0.258 4.268 4.527 -0.001 0.000 0.298 24 F C 2.717 178.382 175.800 -0.224 0.000 1.112 24 F CA 1.590 59.292 58.000 -0.497 0.000 1.212 24 F CB -0.238 38.432 39.000 -0.550 0.000 0.975 24 F HN -0.060 nan 8.300 nan 0.000 0.476 25 R N 0.243 120.730 120.500 -0.022 0.000 2.103 25 R HA -0.187 4.152 4.340 -0.001 0.000 0.242 25 R C 2.211 178.437 176.300 -0.123 0.000 1.142 25 R CA 1.544 57.612 56.100 -0.053 0.000 0.960 25 R CB -1.440 28.872 30.300 0.020 0.000 0.858 25 R HN 0.422 nan 8.270 nan 0.000 0.439 26 A N 1.139 123.907 122.820 -0.087 0.000 2.169 26 A HA -0.059 4.260 4.320 -0.001 0.000 0.212 26 A C 0.603 178.129 177.584 -0.096 0.000 1.153 26 A CA -0.057 51.938 52.037 -0.069 0.000 0.756 26 A CB -0.120 18.867 19.000 -0.022 0.000 0.813 26 A HN 0.137 nan 8.150 nan 0.000 0.471 27 D N 0.656 120.956 120.400 -0.166 0.000 2.383 27 D HA 0.107 4.747 4.640 -0.001 0.000 0.252 27 D C 0.460 176.656 176.300 -0.174 0.000 1.166 27 D CA 0.220 54.136 54.000 -0.140 0.000 0.879 27 D CB 0.728 41.460 40.800 -0.112 0.000 1.164 27 D HN 0.438 nan 8.370 nan 0.000 0.462 28 E N 2.306 122.447 120.200 -0.099 0.000 2.472 28 E HA 0.038 4.387 4.350 -0.001 0.000 0.196 28 E C 0.178 176.732 176.600 -0.078 0.000 1.033 28 E CA -0.265 56.080 56.400 -0.093 0.000 0.886 28 E CB 0.377 30.041 29.700 -0.060 0.000 0.944 28 E HN 0.319 nan 8.360 nan 0.000 0.492 29 R N 2.253 122.716 120.500 -0.063 0.000 2.480 29 R HA 0.008 4.348 4.340 -0.001 0.000 0.303 29 R C -1.845 174.431 176.300 -0.041 0.000 0.985 29 R CA -0.954 55.125 56.100 -0.035 0.000 1.051 29 R CB -0.437 29.858 30.300 -0.008 0.000 0.935 29 R HN -0.008 nan 8.270 nan 0.000 0.410 30 P HA -0.207 nan 4.420 nan 0.000 0.216 30 P C 1.089 178.390 177.300 0.001 0.000 1.167 30 P CA 1.797 64.888 63.100 -0.016 0.000 0.933 30 P CB -0.098 31.600 31.700 -0.004 0.000 0.793 31 G N -0.131 108.684 108.800 0.024 0.000 3.332 31 G HA2 0.030 3.990 3.960 -0.001 0.000 0.242 31 G HA3 0.030 3.990 3.960 -0.001 0.000 0.242 31 G C 0.068 175.018 174.900 0.082 0.000 1.276 31 G CA -0.393 44.736 45.100 0.048 0.000 0.988 31 G HN 0.420 nan 8.290 nan 0.000 0.517 32 K N -0.078 120.367 120.400 0.076 0.000 2.494 32 K HA 0.283 4.603 4.320 -0.001 0.000 0.273 32 K C -0.474 176.291 176.600 0.275 0.000 0.970 32 K CA 0.406 56.794 56.287 0.168 0.000 0.963 32 K CB 0.865 33.360 32.500 -0.008 0.000 0.913 32 K HN 0.078 nan 8.250 nan 0.000 0.502 33 I N 1.292 122.089 120.570 0.377 0.000 2.534 33 I HA 0.144 4.314 4.170 -0.001 0.000 0.288 33 I C -0.989 175.236 176.117 0.179 0.000 1.077 33 I CA -1.026 60.401 61.300 0.211 0.000 1.051 33 I CB 1.984 40.042 38.000 0.096 0.000 1.234 33 I HN 0.648 nan 8.210 nan 0.000 0.425 34 N N 7.342 125.924 118.700 -0.196 0.000 2.457 34 N HA 0.458 5.197 4.740 -0.001 0.000 0.250 34 N C -0.566 174.771 175.510 -0.288 0.000 0.982 34 N CA -0.328 52.446 53.050 -0.461 0.000 0.941 34 N CB 0.996 38.819 38.487 -1.107 0.000 1.120 34 N HN 0.608 nan 8.380 nan 0.000 0.505 35 L N 2.295 123.455 121.223 -0.105 0.000 3.289 35 L HA 0.432 4.771 4.340 -0.001 0.000 0.291 35 L C 1.427 178.316 176.870 0.031 0.000 1.279 35 L CA -0.473 54.327 54.840 -0.067 0.000 1.025 35 L CB 0.617 42.634 42.059 -0.070 0.000 1.413 35 L HN 0.518 nan 8.230 nan 0.000 0.593 36 G N 0.637 109.452 108.800 0.026 0.000 2.535 36 G HA2 0.114 4.073 3.960 -0.001 0.000 0.210 36 G HA3 0.114 4.073 3.960 -0.001 0.000 0.210 36 G C 0.516 175.488 174.900 0.119 0.000 1.593 36 G CA -0.348 44.796 45.100 0.074 0.000 0.948 36 G HN 0.105 nan 8.290 nan 0.000 0.476 37 I N 2.152 122.774 120.570 0.085 0.000 2.815 37 I HA 0.217 4.387 4.170 -0.001 0.000 0.291 37 I C 1.160 177.390 176.117 0.188 0.000 1.209 37 I CA 0.035 61.409 61.300 0.123 0.000 1.431 37 I CB 0.699 38.725 38.000 0.044 0.000 1.351 37 I HN 0.251 nan 8.210 nan 0.000 0.585 38 G N 8.189 117.165 108.800 0.293 0.000 2.778 38 G HA2 0.382 4.342 3.960 -0.001 0.000 0.287 38 G HA3 0.382 4.342 3.960 -0.001 0.000 0.287 38 G C -0.687 174.243 174.900 0.050 0.000 0.747 38 G CA -0.305 44.974 45.100 0.298 0.000 1.961 38 G HN 0.277 nan 8.290 nan 0.000 0.539 39 L N 1.387 122.587 121.223 -0.038 0.000 2.362 39 L HA 0.422 4.762 4.340 -0.001 0.000 0.271 39 L C -0.475 176.370 176.870 -0.041 0.000 1.002 39 L CA -1.970 52.702 54.840 -0.280 0.000 0.818 39 L CB 1.848 43.599 42.059 -0.514 0.000 1.298 39 L HN 0.470 nan 8.230 nan 0.000 0.420 40 Y N 2.770 123.062 120.300 -0.013 0.000 2.316 40 Y HA 0.481 5.030 4.550 -0.001 0.000 0.331 40 Y C -1.186 174.713 175.900 -0.002 0.000 1.083 40 Y CA -0.074 58.088 58.100 0.104 0.000 1.206 40 Y CB 0.527 39.123 38.460 0.228 0.000 1.195 40 Y HN 0.469 nan 8.280 nan 0.000 0.497 41 Y N 3.823 123.665 120.300 -0.763 0.000 2.549 41 Y HA 0.311 4.860 4.550 -0.001 0.000 0.339 41 Y C -0.109 175.337 175.900 -0.757 0.000 1.053 41 Y CA -1.017 56.771 58.100 -0.520 0.000 1.105 41 Y CB 1.214 39.491 38.460 -0.305 0.000 1.258 41 Y HN 0.703 nan 8.280 nan 0.000 0.478 42 D N -1.133 119.186 120.400 -0.135 0.000 2.487 42 D HA 0.197 4.837 4.640 -0.001 0.000 0.262 42 D C 0.322 176.614 176.300 -0.013 0.000 1.130 42 D CA -0.588 53.385 54.000 -0.045 0.000 1.038 42 D CB 0.596 41.461 40.800 0.109 0.000 1.142 42 D HN 0.611 nan 8.370 nan 0.000 0.575 43 E N -1.090 119.122 120.200 0.021 0.000 2.187 43 E HA -0.225 4.125 4.350 -0.001 0.000 0.199 43 E C 1.544 178.154 176.600 0.015 0.000 1.004 43 E CA 1.989 58.398 56.400 0.015 0.000 0.813 43 E CB -0.430 29.286 29.700 0.028 0.000 0.736 43 E HN 0.698 nan 8.360 nan 0.000 0.468 44 T N -2.815 111.757 114.554 0.031 0.000 3.107 44 T HA 0.279 4.628 4.350 -0.001 0.000 0.249 44 T C 1.346 176.073 174.700 0.045 0.000 1.096 44 T CA 0.292 62.412 62.100 0.034 0.000 1.012 44 T CB 0.406 69.298 68.868 0.040 0.000 0.977 44 T HN 0.316 nan 8.240 nan 0.000 0.527 45 G N 1.082 109.916 108.800 0.057 0.000 2.165 45 G HA2 -0.188 3.771 3.960 -0.001 0.000 0.226 45 G HA3 -0.188 3.771 3.960 -0.001 0.000 0.226 45 G C -0.281 174.744 174.900 0.208 0.000 1.035 45 G CA 0.227 45.396 45.100 0.115 0.000 0.744 45 G HN 0.938 nan 8.290 nan 0.000 0.501 46 K N -0.171 120.311 120.400 0.137 0.000 2.400 46 K HA 0.781 5.100 4.320 -0.001 0.000 0.246 46 K C 0.294 176.882 176.600 -0.020 0.000 0.995 46 K CA -1.342 54.990 56.287 0.075 0.000 0.840 46 K CB 0.986 33.522 32.500 0.060 0.000 1.293 46 K HN 0.101 nan 8.250 nan 0.000 0.445 47 I N 3.805 124.313 120.570 -0.104 0.000 2.268 47 I HA 0.283 4.452 4.170 -0.001 0.000 0.290 47 I C -2.087 174.062 176.117 0.052 0.000 1.125 47 I CA -1.855 59.390 61.300 -0.093 0.000 1.236 47 I CB -0.219 37.655 38.000 -0.210 0.000 1.469 47 I HN 0.538 nan 8.210 nan 0.000 0.512 48 P HA 0.285 nan 4.420 nan 0.000 0.279 48 P C -0.265 177.111 177.300 0.126 0.000 1.252 48 P CA -0.378 62.789 63.100 0.111 0.000 0.811 48 P CB 1.705 33.478 31.700 0.121 0.000 1.035 49 V N 2.793 122.765 119.914 0.096 0.000 2.488 49 V HA 0.036 4.156 4.120 -0.001 0.000 0.277 49 V C 1.007 177.149 176.094 0.081 0.000 1.046 49 V CA -0.547 61.806 62.300 0.089 0.000 0.986 49 V CB 0.196 32.065 31.823 0.075 0.000 0.989 49 V HN 0.391 nan 8.190 nan 0.000 0.475 50 L N 4.678 125.949 121.223 0.080 0.000 2.492 50 L HA 0.045 4.385 4.340 -0.001 0.000 0.280 50 L C 1.804 178.712 176.870 0.063 0.000 1.240 50 L CA 1.083 55.964 54.840 0.068 0.000 0.831 50 L CB 0.204 42.310 42.059 0.078 0.000 1.100 50 L HN 0.798 nan 8.230 nan 0.000 0.505 51 T N -0.262 114.323 114.554 0.050 0.000 2.737 51 T HA -0.154 4.196 4.350 -0.001 0.000 0.265 51 T C 1.871 176.600 174.700 0.049 0.000 1.038 51 T CA 1.647 63.773 62.100 0.044 0.000 1.144 51 T CB -0.150 68.736 68.868 0.030 0.000 0.866 51 T HN 0.851 nan 8.240 nan 0.000 0.434 52 S N 1.417 117.153 115.700 0.061 0.000 2.402 52 S HA -0.117 4.352 4.470 -0.001 0.000 0.233 52 S C 2.141 176.776 174.600 0.058 0.000 1.030 52 S CA 1.122 59.363 58.200 0.067 0.000 1.003 52 S CB -1.013 62.259 63.200 0.120 0.000 0.813 52 S HN 0.298 nan 8.310 nan 0.000 0.477 53 V N 2.143 122.101 119.914 0.074 0.000 2.307 53 V HA -0.099 4.021 4.120 -0.001 0.000 0.245 53 V C 2.832 178.957 176.094 0.052 0.000 1.045 53 V CA 1.691 64.028 62.300 0.063 0.000 1.024 53 V CB -0.587 31.287 31.823 0.085 0.000 0.651 53 V HN 0.382 nan 8.190 nan 0.000 0.449 54 K N 0.329 120.763 120.400 0.057 0.000 2.103 54 K HA -0.169 4.150 4.320 -0.001 0.000 0.207 54 K C 2.130 178.761 176.600 0.051 0.000 1.048 54 K CA 1.374 57.695 56.287 0.056 0.000 0.930 54 K CB -0.323 32.207 32.500 0.050 0.000 0.716 54 K HN 0.463 nan 8.250 nan 0.000 0.444 55 K N 0.300 120.726 120.400 0.044 0.000 1.985 55 K HA -0.096 4.223 4.320 -0.001 0.000 0.210 55 K C 2.219 178.852 176.600 0.055 0.000 1.047 55 K CA 1.347 57.660 56.287 0.043 0.000 0.932 55 K CB -0.264 32.252 32.500 0.027 0.000 0.716 55 K HN 0.091 nan 8.250 nan 0.000 0.439 56 A N 1.807 124.643 122.820 0.027 0.000 1.948 56 A HA -0.250 4.069 4.320 -0.001 0.000 0.220 56 A C 1.922 179.547 177.584 0.068 0.000 1.177 56 A CA 1.761 53.811 52.037 0.021 0.000 0.636 56 A CB -0.490 18.480 19.000 -0.049 0.000 0.815 56 A HN 0.371 nan 8.150 nan 0.000 0.449 57 E N -1.050 119.176 120.200 0.044 0.000 2.077 57 E HA -0.261 4.088 4.350 -0.001 0.000 0.193 57 E C 2.240 178.882 176.600 0.071 0.000 0.989 57 E CA 1.370 57.800 56.400 0.051 0.000 0.800 57 E CB -0.165 29.595 29.700 0.101 0.000 0.746 57 E HN 0.824 nan 8.360 nan 0.000 0.452 58 Q N 0.424 120.271 119.800 0.078 0.000 2.061 58 Q HA -0.257 4.082 4.340 -0.001 0.000 0.204 58 Q C 2.021 178.060 176.000 0.064 0.000 0.984 58 Q CA 1.695 57.536 55.803 0.064 0.000 0.846 58 Q CB -0.423 28.352 28.738 0.063 0.000 0.902 58 Q HN 0.382 nan 8.270 nan 0.000 0.421 59 Y N 0.382 120.669 120.300 -0.021 0.000 2.151 59 Y HA -0.245 4.305 4.550 -0.000 0.000 0.284 59 Y C 1.555 177.434 175.900 -0.036 0.000 1.166 59 Y CA 1.930 60.013 58.100 -0.029 0.000 1.163 59 Y CB -0.165 38.272 38.460 -0.038 0.000 0.974 59 Y HN 0.178 nan 8.280 nan 0.000 0.511 60 L N -0.618 120.567 121.223 -0.063 0.000 2.056 60 L HA -0.217 4.122 4.340 -0.001 0.000 0.207 60 L C 2.607 179.387 176.870 -0.150 0.000 1.078 60 L CA 1.088 55.840 54.840 -0.146 0.000 0.749 60 L CB -0.700 41.321 42.059 -0.063 0.000 0.901 60 L HN 0.305 nan 8.230 nan 0.000 0.433 61 L N -0.108 121.070 121.223 -0.076 0.000 2.043 61 L HA -0.278 4.061 4.340 -0.001 0.000 0.212 61 L C 2.493 179.306 176.870 -0.096 0.000 1.075 61 L CA 1.713 56.521 54.840 -0.054 0.000 0.752 61 L CB -0.103 41.945 42.059 -0.018 0.000 0.891 61 L HN 0.365 nan 8.230 nan 0.000 0.432 62 E N -0.720 119.395 120.200 -0.141 0.000 2.112 62 E HA -0.110 4.240 4.350 -0.001 0.000 0.190 62 E C 1.573 178.045 176.600 -0.214 0.000 0.979 62 E CA 0.889 57.197 56.400 -0.154 0.000 0.814 62 E CB 0.124 29.742 29.700 -0.137 0.000 0.762 62 E HN 0.552 nan 8.360 nan 0.000 0.460 63 N N 0.565 119.048 118.700 -0.362 0.000 2.353 63 N HA 0.014 4.754 4.740 -0.001 0.000 0.185 63 N C 0.341 175.715 175.510 -0.226 0.000 1.098 63 N CA 0.210 53.043 53.050 -0.362 0.000 0.872 63 N CB 0.538 38.629 38.487 -0.661 0.000 0.970 63 N HN 0.193 nan 8.380 nan 0.000 0.467 67 T N 0.461 114.987 114.554 -0.046 0.000 2.889 67 T HA 0.582 4.932 4.350 -0.001 0.000 0.315 67 T C -1.051 173.617 174.700 -0.054 0.000 1.291 67 T CA -0.568 61.505 62.100 -0.046 0.000 1.028 67 T CB 1.799 70.644 68.868 -0.037 0.000 1.235 67 T HN -0.105 nan 8.240 nan 0.000 0.491 68 K N 2.205 122.563 120.400 -0.071 0.000 2.373 68 K HA 0.338 4.657 4.320 -0.001 0.000 0.202 68 K C 0.756 177.277 176.600 -0.131 0.000 1.025 68 K CA -0.322 55.910 56.287 -0.091 0.000 1.115 68 K CB -0.150 32.289 32.500 -0.102 0.000 0.858 68 K HN 0.562 nan 8.250 nan 0.000 0.525 69 L N 2.168 123.329 121.223 -0.103 0.000 2.781 69 L HA -0.208 4.132 4.340 -0.001 0.000 0.308 69 L C -0.037 176.795 176.870 -0.063 0.000 1.240 69 L CA 0.772 55.560 54.840 -0.087 0.000 0.873 69 L CB -0.025 42.023 42.059 -0.019 0.000 1.144 69 L HN 0.210 nan 8.230 nan 0.000 0.505 70 Y N 4.048 124.348 120.300 -0.000 0.000 2.811 70 Y HA -0.052 4.498 4.550 -0.001 0.000 0.334 70 Y C 0.958 176.860 175.900 0.004 0.000 1.247 70 Y CA 0.179 58.281 58.100 0.003 0.000 1.526 70 Y CB 0.208 38.672 38.460 0.008 0.000 1.284 70 Y HN 0.379 nan 8.280 nan 0.000 0.586 71 L N 2.190 123.525 121.223 0.186 0.000 2.482 71 L HA 0.398 4.737 4.340 -0.001 0.000 0.242 71 L C 1.185 178.121 176.870 0.110 0.000 1.210 71 L CA -0.375 54.529 54.840 0.106 0.000 0.819 71 L CB 0.169 42.267 42.059 0.064 0.000 1.203 71 L HN 0.774 nan 8.230 nan 0.000 0.495 72 G N -0.627 108.219 108.800 0.077 0.000 2.528 72 G HA2 0.371 4.330 3.960 -0.001 0.000 0.289 72 G HA3 0.371 4.330 3.960 -0.001 0.000 0.289 72 G C 0.894 175.829 174.900 0.057 0.000 1.192 72 G CA -0.592 44.543 45.100 0.059 0.000 0.921 72 G HN 0.629 nan 8.290 nan 0.000 0.512 73 I N 0.340 120.925 120.570 0.025 0.000 2.143 73 I HA -0.256 3.914 4.170 -0.001 0.000 0.245 73 I C 2.193 178.340 176.117 0.049 0.000 1.068 73 I CA 1.980 63.281 61.300 0.002 0.000 1.326 73 I CB -0.087 37.871 38.000 -0.069 0.000 1.028 73 I HN 0.584 nan 8.210 nan 0.000 0.412 74 D N 0.332 120.784 120.400 0.088 0.000 2.349 74 D HA 0.181 4.820 4.640 -0.001 0.000 0.224 74 D C 1.087 177.484 176.300 0.161 0.000 1.029 74 D CA 0.840 54.947 54.000 0.178 0.000 0.879 74 D CB -0.295 40.713 40.800 0.347 0.000 0.906 74 D HN 0.466 nan 8.370 nan 0.000 0.528 75 G N 0.619 109.480 108.800 0.102 0.000 2.527 75 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.227 75 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.227 75 G C -0.564 174.373 174.900 0.062 0.000 1.291 75 G CA -0.327 44.804 45.100 0.051 0.000 0.904 75 G HN 0.296 nan 8.290 nan 0.000 0.577 76 I N 3.091 123.683 120.570 0.036 0.000 2.379 76 I HA 0.237 4.406 4.170 -0.001 0.000 0.290 76 I C -0.882 175.313 176.117 0.129 0.000 1.063 76 I CA -1.726 59.612 61.300 0.063 0.000 1.351 76 I CB 1.797 39.811 38.000 0.023 0.000 1.410 76 I HN 0.310 nan 8.210 nan 0.000 0.505 77 P HA -0.197 nan 4.420 nan 0.000 0.216 77 P C 1.163 178.502 177.300 0.065 0.000 1.150 77 P CA 1.229 64.375 63.100 0.077 0.000 0.843 77 P CB 0.262 31.991 31.700 0.048 0.000 0.787 78 E N -1.282 118.951 120.200 0.056 0.000 2.077 78 E HA -0.157 4.193 4.350 -0.001 0.000 0.193 78 E C 1.798 178.405 176.600 0.010 0.000 0.989 78 E CA 0.758 57.169 56.400 0.019 0.000 0.800 78 E CB -1.259 28.444 29.700 0.005 0.000 0.746 78 E HN 0.265 nan 8.360 nan 0.000 0.452 79 F N 0.862 120.760 119.950 -0.086 0.000 2.069 79 F HA -0.153 4.373 4.527 -0.001 0.000 0.298 79 F C 2.162 177.928 175.800 -0.056 0.000 1.113 79 F CA 2.163 60.095 58.000 -0.113 0.000 1.214 79 F CB -0.681 38.255 39.000 -0.108 0.000 0.978 79 F HN 0.077 nan 8.300 nan 0.000 0.474 80 G N -0.198 108.622 108.800 0.034 0.000 2.418 80 G HA2 -0.306 3.653 3.960 -0.001 0.000 0.217 80 G HA3 -0.306 3.653 3.960 -0.001 0.000 0.217 80 G C 1.800 176.635 174.900 -0.107 0.000 1.158 80 G CA 0.825 45.901 45.100 -0.040 0.000 0.771 80 G HN 0.368 nan 8.290 nan 0.000 0.545 81 R N -0.586 119.871 120.500 -0.071 0.000 2.080 81 R HA -0.112 4.228 4.340 -0.001 0.000 0.236 81 R C 2.693 178.937 176.300 -0.093 0.000 1.137 81 R CA 1.922 57.986 56.100 -0.061 0.000 0.943 81 R CB -0.672 29.605 30.300 -0.039 0.000 0.846 81 R HN 0.391 nan 8.270 nan 0.000 0.431 82 C N -0.644 118.565 119.300 -0.152 0.000 2.432 82 C HA -0.064 4.395 4.460 -0.001 0.000 0.277 82 C C 2.655 177.532 174.990 -0.190 0.000 1.249 82 C CA 1.259 60.173 59.018 -0.172 0.000 1.725 82 C CB -0.880 26.719 27.740 -0.235 0.000 2.028 82 C HN 0.603 nan 8.230 nan 0.000 0.477 83 T N 0.832 115.206 114.554 -0.299 0.000 2.665 83 T HA -0.248 4.101 4.350 -0.001 0.000 0.268 83 T C 1.777 176.369 174.700 -0.181 0.000 1.035 83 T CA 1.664 63.616 62.100 -0.247 0.000 1.151 83 T CB -0.368 68.281 68.868 -0.365 0.000 0.862 83 T HN 0.666 nan 8.240 nan 0.000 0.438 84 Q N 0.356 120.088 119.800 -0.113 0.000 2.170 84 Q HA -0.100 4.240 4.340 -0.001 0.000 0.203 84 Q C 2.407 178.401 176.000 -0.010 0.000 0.976 84 Q CA 1.043 56.838 55.803 -0.014 0.000 0.858 84 Q CB -0.094 28.729 28.738 0.142 0.000 0.907 84 Q HN 0.621 nan 8.270 nan 0.000 0.433 85 E N 0.385 120.569 120.200 -0.028 0.000 2.072 85 E HA -0.153 4.197 4.350 -0.001 0.000 0.190 85 E C 1.973 178.550 176.600 -0.038 0.000 0.982 85 E CA 0.541 56.936 56.400 -0.009 0.000 0.803 85 E CB -0.028 29.663 29.700 -0.015 0.000 0.755 85 E HN 0.170 nan 8.360 nan 0.000 0.453 86 L N 1.069 122.251 121.223 -0.068 0.000 2.042 86 L HA -0.176 4.164 4.340 -0.001 0.000 0.210 86 L C 2.126 178.922 176.870 -0.125 0.000 1.076 86 L CA 1.347 56.151 54.840 -0.059 0.000 0.749 86 L CB -0.602 41.436 42.059 -0.035 0.000 0.893 86 L HN 0.107 nan 8.230 nan 0.000 0.432 87 L N -1.658 119.410 121.223 -0.259 0.000 1.993 87 L HA -0.106 4.233 4.340 -0.001 0.000 0.206 87 L C 2.173 178.749 176.870 -0.489 0.000 1.074 87 L CA 1.885 56.434 54.840 -0.485 0.000 0.746 87 L CB -1.160 40.299 42.059 -1.000 0.000 0.896 87 L HN 0.186 nan 8.230 nan 0.000 0.435 88 F N -0.520 119.422 119.950 -0.014 0.000 2.754 88 F HA 0.503 5.030 4.527 -0.001 0.000 0.297 88 F C 1.287 177.076 175.800 -0.018 0.000 1.122 88 F CA 0.172 58.156 58.000 -0.026 0.000 1.400 88 F CB -0.716 38.266 39.000 -0.032 0.000 1.117 88 F HN 0.149 nan 8.300 nan 0.000 0.587 89 G N 0.833 109.686 108.800 0.089 0.000 2.719 89 G HA2 -0.176 3.784 3.960 -0.001 0.000 0.686 89 G HA3 -0.176 3.784 3.960 -0.001 0.000 0.686 89 G C 0.551 175.487 174.900 0.060 0.000 1.201 89 G CA -0.616 44.519 45.100 0.059 0.000 0.768 89 G HN -0.070 nan 8.290 nan 0.000 0.629 90 K N 0.658 121.078 120.400 0.034 0.000 2.031 90 K HA -0.239 4.080 4.320 -0.001 0.000 0.228 90 K C 2.316 178.932 176.600 0.026 0.000 1.050 90 K CA 2.645 58.946 56.287 0.024 0.000 0.980 90 K CB -0.728 31.781 32.500 0.015 0.000 0.738 90 K HN 1.339 nan 8.250 nan 0.000 0.451 91 G N 0.796 109.610 108.800 0.025 0.000 3.605 91 G HA2 0.059 4.019 3.960 -0.001 0.000 0.277 91 G HA3 0.059 4.019 3.960 -0.001 0.000 0.277 91 G C 0.072 174.983 174.900 0.018 0.000 1.093 91 G CA -0.050 45.060 45.100 0.018 0.000 0.821 91 G HN 0.255 nan 8.290 nan 0.000 0.532 92 S N -0.045 115.676 115.700 0.035 0.000 2.553 92 S HA 0.198 4.668 4.470 -0.001 0.000 0.293 92 S C 1.967 176.561 174.600 -0.010 0.000 1.296 92 S CA 0.414 58.629 58.200 0.026 0.000 1.046 92 S CB 0.769 64.008 63.200 0.066 0.000 0.810 92 S HN 0.640 nan 8.310 nan 0.000 0.505 93 A N 4.512 127.314 122.820 -0.029 0.000 2.015 93 A HA 0.004 4.323 4.320 -0.001 0.000 0.219 93 A C 2.007 179.547 177.584 -0.074 0.000 1.163 93 A CA 1.183 53.194 52.037 -0.044 0.000 0.646 93 A CB -0.578 18.396 19.000 -0.043 0.000 0.806 93 A HN 0.790 nan 8.150 nan 0.000 0.448 94 L N -0.086 121.062 121.223 -0.125 0.000 2.046 94 L HA -0.160 4.180 4.340 -0.001 0.000 0.208 94 L C 2.372 179.156 176.870 -0.143 0.000 1.077 94 L CA 1.595 56.309 54.840 -0.210 0.000 0.747 94 L CB -0.346 41.427 42.059 -0.477 0.000 0.896 94 L HN 0.434 nan 8.230 nan 0.000 0.432 95 I N -1.121 119.403 120.570 -0.078 0.000 2.233 95 I HA -0.225 3.944 4.170 -0.001 0.000 0.243 95 I C 2.024 178.121 176.117 -0.033 0.000 1.093 95 I CA 0.780 62.063 61.300 -0.030 0.000 1.380 95 I CB -0.545 37.465 38.000 0.018 0.000 1.067 95 I HN 0.295 nan 8.210 nan 0.000 0.413 96 N N 1.329 120.011 118.700 -0.030 0.000 2.069 96 N HA -0.182 4.558 4.740 -0.001 0.000 0.191 96 N C 1.311 176.803 175.510 -0.031 0.000 1.031 96 N CA 1.490 54.525 53.050 -0.025 0.000 0.852 96 N CB -0.528 37.946 38.487 -0.021 0.000 1.018 96 N HN 0.327 nan 8.380 nan 0.000 0.423 97 D N 0.522 120.897 120.400 -0.043 0.000 2.371 97 D HA -0.064 4.576 4.640 -0.001 0.000 0.221 97 D C 0.435 176.709 176.300 -0.043 0.000 0.986 97 D CA 0.444 54.420 54.000 -0.041 0.000 0.899 97 D CB 0.016 40.789 40.800 -0.045 0.000 0.902 97 D HN -0.014 nan 8.370 nan 0.000 0.530 98 K N 0.352 120.722 120.400 -0.051 0.000 3.117 98 K HA -0.211 4.109 4.320 -0.001 0.000 0.269 98 K C 0.718 177.279 176.600 -0.064 0.000 1.098 98 K CA 0.196 56.452 56.287 -0.053 0.000 0.785 98 K CB -1.509 30.968 32.500 -0.038 0.000 1.242 98 K HN 0.280 nan 8.250 nan 0.000 0.491 99 R N -1.062 119.388 120.500 -0.083 0.000 2.161 99 R HA 0.150 4.490 4.340 -0.001 0.000 0.213 99 R C 0.929 177.169 176.300 -0.099 0.000 1.055 99 R CA 0.997 57.046 56.100 -0.085 0.000 0.996 99 R CB 0.288 30.527 30.300 -0.101 0.000 0.901 99 R HN 0.295 nan 8.270 nan 0.000 0.456 100 A N 1.767 124.512 122.820 -0.124 0.000 2.295 100 A HA 0.587 4.906 4.320 -0.001 0.000 0.318 100 A C -0.370 177.122 177.584 -0.154 0.000 1.134 100 A CA -0.577 51.395 52.037 -0.107 0.000 0.827 100 A CB 0.856 19.817 19.000 -0.065 0.000 1.136 100 A HN 0.014 nan 8.150 nan 0.000 0.493 101 R N 0.786 121.144 120.500 -0.237 0.000 2.621 101 R HA 0.594 4.934 4.340 -0.001 0.000 0.284 101 R C -1.425 174.608 176.300 -0.446 0.000 0.998 101 R CA -0.394 55.379 56.100 -0.545 0.000 0.895 101 R CB 1.684 31.324 30.300 -1.099 0.000 1.195 101 R HN 0.703 nan 8.270 nan 0.000 0.450 102 T N 1.015 115.380 114.554 -0.315 0.000 2.841 102 T HA 0.696 5.046 4.350 -0.001 0.000 0.283 102 T C -0.725 174.105 174.700 0.218 0.000 1.000 102 T CA -0.576 61.527 62.100 0.005 0.000 0.977 102 T CB 1.934 70.832 68.868 0.049 0.000 0.979 102 T HN 0.624 nan 8.240 nan 0.000 0.446 103 A N 2.733 125.776 122.820 0.371 0.000 2.331 103 A HA 0.645 4.964 4.320 -0.001 0.000 0.320 103 A C -0.217 177.552 177.584 0.309 0.000 1.138 103 A CA -0.733 51.538 52.037 0.391 0.000 0.790 103 A CB 1.135 20.337 19.000 0.336 0.000 1.206 103 A HN 0.737 nan 8.150 nan 0.000 0.470 104 Q N 1.482 121.436 119.800 0.257 0.000 2.286 104 Q HA 0.486 4.826 4.340 -0.001 0.000 0.257 104 Q C -0.260 175.790 176.000 0.083 0.000 0.941 104 Q CA 0.142 56.025 55.803 0.133 0.000 0.912 104 Q CB 0.686 29.320 28.738 -0.173 0.000 1.192 104 Q HN 0.859 nan 8.270 nan 0.000 0.410 105 T N 0.653 115.236 114.554 0.049 0.000 2.901 105 T HA 0.573 4.922 4.350 -0.001 0.000 0.293 105 T C -2.754 171.869 174.700 -0.128 0.000 1.084 105 T CA -2.186 59.921 62.100 0.012 0.000 1.008 105 T CB 1.700 70.635 68.868 0.111 0.000 1.170 105 T HN 0.407 nan 8.240 nan 0.000 0.509 106 P HA 0.418 nan 4.420 nan 0.000 0.252 106 P C 0.770 178.005 177.300 -0.108 0.000 1.727 106 P CA 0.887 63.842 63.100 -0.241 0.000 1.134 106 P CB -0.296 31.185 31.700 -0.365 0.000 1.876 107 G N 2.618 111.384 108.800 -0.057 0.000 2.828 107 G HA2 -0.122 3.838 3.960 -0.001 0.000 0.463 107 G HA3 -0.122 3.838 3.960 -0.001 0.000 0.463 107 G C 0.994 175.892 174.900 -0.003 0.000 1.394 107 G CA -0.464 44.626 45.100 -0.016 0.000 0.862 107 G HN 0.446 nan 8.290 nan 0.000 0.540 108 G N -0.787 107.999 108.800 -0.023 0.000 2.443 108 G HA2 0.123 4.082 3.960 -0.001 0.000 0.219 108 G HA3 0.123 4.082 3.960 -0.001 0.000 0.219 108 G C 2.066 176.976 174.900 0.017 0.000 1.131 108 G CA 2.036 47.119 45.100 -0.028 0.000 0.775 108 G HN 1.177 nan 8.290 nan 0.000 0.547 109 S N 0.599 116.322 115.700 0.038 0.000 2.356 109 S HA -0.074 4.396 4.470 -0.001 0.000 0.223 109 S C 2.528 177.171 174.600 0.072 0.000 1.032 109 S CA 1.328 59.589 58.200 0.103 0.000 1.005 109 S CB -0.568 62.708 63.200 0.127 0.000 0.867 109 S HN 0.503 nan 8.310 nan 0.000 0.449 110 G N 0.837 109.668 108.800 0.050 0.000 2.422 110 G HA2 0.013 3.972 3.960 -0.001 0.000 0.218 110 G HA3 0.013 3.972 3.960 -0.001 0.000 0.218 110 G C 1.482 176.448 174.900 0.109 0.000 1.140 110 G CA 0.884 46.027 45.100 0.070 0.000 0.775 110 G HN 0.562 nan 8.290 nan 0.000 0.545 111 A N 0.452 123.326 122.820 0.090 0.000 1.897 111 A HA 0.151 4.471 4.320 -0.001 0.000 0.215 111 A C 2.315 179.965 177.584 0.109 0.000 1.181 111 A CA 1.102 53.206 52.037 0.111 0.000 0.620 111 A CB -0.374 18.686 19.000 0.099 0.000 0.821 111 A HN 0.269 nan 8.150 nan 0.000 0.443 112 L N -0.193 121.079 121.223 0.083 0.000 1.989 112 L HA -0.149 4.190 4.340 -0.001 0.000 0.211 112 L C 2.537 179.389 176.870 -0.030 0.000 1.071 112 L CA 2.297 57.162 54.840 0.042 0.000 0.749 112 L CB -1.198 40.873 42.059 0.020 0.000 0.890 112 L HN 0.477 nan 8.230 nan 0.000 0.431 113 R N -0.736 119.749 120.500 -0.025 0.000 2.105 113 R HA -0.124 4.215 4.340 -0.001 0.000 0.239 113 R C 2.153 178.492 176.300 0.065 0.000 1.135 113 R CA 1.506 57.597 56.100 -0.015 0.000 0.967 113 R CB -0.776 29.534 30.300 0.017 0.000 0.861 113 R HN 0.214 nan 8.270 nan 0.000 0.442 114 V N 0.491 120.468 119.914 0.106 0.000 2.407 114 V HA -0.187 3.933 4.120 -0.001 0.000 0.248 114 V C 2.288 178.484 176.094 0.169 0.000 1.055 114 V CA 1.880 64.251 62.300 0.119 0.000 1.049 114 V CB -0.760 31.133 31.823 0.116 0.000 0.662 114 V HN 0.551 nan 8.190 nan 0.000 0.455 115 A N -0.148 122.787 122.820 0.191 0.000 1.898 115 A HA -0.057 4.262 4.320 -0.001 0.000 0.216 115 A C 2.436 180.231 177.584 0.352 0.000 1.181 115 A CA 1.879 54.094 52.037 0.296 0.000 0.620 115 A CB -0.764 18.404 19.000 0.280 0.000 0.819 115 A HN 0.545 nan 8.150 nan 0.000 0.442 116 A N 0.230 123.216 122.820 0.276 0.000 1.865 116 A HA -0.228 4.092 4.320 -0.001 0.000 0.217 116 A C 1.779 179.484 177.584 0.201 0.000 1.191 116 A CA 2.057 54.267 52.037 0.289 0.000 0.623 116 A CB -0.726 18.377 19.000 0.172 0.000 0.826 116 A HN 0.435 nan 8.150 nan 0.000 0.444 117 D N -1.356 119.139 120.400 0.158 0.000 2.178 117 D HA -0.113 4.526 4.640 -0.001 0.000 0.201 117 D C 1.560 177.946 176.300 0.145 0.000 0.980 117 D CA 1.288 55.360 54.000 0.120 0.000 0.842 117 D CB -0.350 40.506 40.800 0.094 0.000 0.948 117 D HN 0.543 nan 8.370 nan 0.000 0.472 118 F N 0.702 120.687 119.950 0.058 0.000 2.128 118 F HA -0.104 4.422 4.527 -0.001 0.000 0.295 118 F C 1.885 177.726 175.800 0.068 0.000 1.100 118 F CA 0.707 58.738 58.000 0.052 0.000 1.260 118 F CB -0.284 38.751 39.000 0.058 0.000 1.009 118 F HN -0.157 nan 8.300 nan 0.000 0.476 119 L N 1.241 122.386 121.223 -0.130 0.000 1.994 119 L HA -0.089 4.250 4.340 -0.001 0.000 0.208 119 L C 2.723 179.515 176.870 -0.130 0.000 1.071 119 L CA 2.098 56.829 54.840 -0.181 0.000 0.745 119 L CB -1.788 40.326 42.059 0.090 0.000 0.892 119 L HN 0.303 nan 8.230 nan 0.000 0.431 120 A N -1.875 120.929 122.820 -0.026 0.000 2.070 120 A HA -0.157 4.163 4.320 -0.001 0.000 0.220 120 A C 2.217 179.775 177.584 -0.042 0.000 1.159 120 A CA 1.379 53.410 52.037 -0.010 0.000 0.656 120 A CB -0.255 18.766 19.000 0.035 0.000 0.800 120 A HN 0.341 nan 8.150 nan 0.000 0.453 121 K N -1.363 118.989 120.400 -0.079 0.000 2.380 121 K HA 0.154 4.474 4.320 -0.001 0.000 0.198 121 K C 0.302 176.831 176.600 -0.119 0.000 1.070 121 K CA 0.111 56.355 56.287 -0.071 0.000 1.040 121 K CB 0.329 32.809 32.500 -0.033 0.000 0.903 121 K HN 0.435 nan 8.250 nan 0.000 0.549 122 N N 0.595 119.152 118.700 -0.238 0.000 2.145 122 N HA -0.004 4.736 4.740 -0.001 0.000 0.219 122 N C 0.481 175.862 175.510 -0.215 0.000 1.266 122 N CA 0.290 53.194 53.050 -0.243 0.000 0.902 122 N CB 1.488 39.753 38.487 -0.369 0.000 1.078 122 N HN 0.163 nan 8.380 nan 0.000 0.513 123 T N -1.694 112.732 114.554 -0.213 0.000 2.807 123 T HA 0.337 4.687 4.350 -0.001 0.000 0.277 123 T C 0.808 175.472 174.700 -0.060 0.000 1.006 123 T CA -0.528 61.500 62.100 -0.121 0.000 1.006 123 T CB 1.524 70.323 68.868 -0.116 0.000 1.274 123 T HN -0.064 nan 8.240 nan 0.000 0.569 124 S N -0.554 115.132 115.700 -0.022 0.000 2.583 124 S HA 0.336 4.806 4.470 -0.001 0.000 0.239 124 S C 0.296 174.903 174.600 0.012 0.000 0.966 124 S CA -0.643 57.555 58.200 -0.003 0.000 0.973 124 S CB -0.682 62.525 63.200 0.010 0.000 0.794 124 S HN 0.609 nan 8.310 nan 0.000 0.463 125 V N 3.159 123.077 119.914 0.007 0.000 2.585 125 V HA 0.239 4.359 4.120 -0.001 0.000 0.296 125 V C 0.491 176.593 176.094 0.013 0.000 1.035 125 V CA 0.265 62.579 62.300 0.023 0.000 1.084 125 V CB 0.685 32.522 31.823 0.023 0.000 0.953 125 V HN 0.575 nan 8.190 nan 0.000 0.483 134 W N 4.194 125.324 121.300 -0.284 0.000 2.314 134 W HA 0.718 5.378 4.660 -0.001 0.000 0.310 134 W C 0.031 176.473 176.519 -0.128 0.000 1.075 134 W CA -0.646 56.592 57.345 -0.178 0.000 1.253 134 W CB 1.789 31.123 29.460 -0.209 0.000 1.238 134 W HN 0.578 nan 8.180 nan 0.000 0.440 135 V N 1.519 121.428 119.914 -0.008 0.000 2.815 135 V HA 0.764 4.884 4.120 -0.001 0.000 0.314 135 V C 0.317 176.114 176.094 -0.495 0.000 1.064 135 V CA -1.031 61.182 62.300 -0.146 0.000 0.952 135 V CB 1.260 33.039 31.823 -0.074 0.000 1.020 135 V HN 0.523 nan 8.190 nan 0.000 0.439 136 S N 2.820 118.059 115.700 -0.767 0.000 2.608 136 S HA 0.274 4.744 4.470 -0.001 0.000 0.261 136 S C -0.035 174.319 174.600 -0.410 0.000 1.314 136 S CA -0.295 57.295 58.200 -1.016 0.000 0.992 136 S CB 0.374 63.009 63.200 -0.941 0.000 0.935 136 S HN 1.113 nan 8.310 nan 0.000 0.564 137 N N 1.560 120.091 118.700 -0.280 0.000 2.491 137 N HA 0.414 5.154 4.740 -0.001 0.000 0.274 137 N C -2.946 172.589 175.510 0.041 0.000 1.023 137 N CA -1.833 51.175 53.050 -0.068 0.000 0.902 137 N CB 1.534 40.016 38.487 -0.009 0.000 1.267 137 N HN 0.436 nan 8.380 nan 0.000 0.503 138 P HA 0.352 nan 4.420 nan 0.000 0.284 138 P C -0.933 176.331 177.300 -0.059 0.000 1.292 138 P CA -0.410 62.686 63.100 -0.007 0.000 0.800 138 P CB 1.624 33.320 31.700 -0.007 0.000 1.188 139 S N -2.056 113.623 115.700 -0.034 0.000 2.656 139 S HA 0.429 4.898 4.470 -0.001 0.000 0.273 139 S C -1.883 172.753 174.600 0.060 0.000 1.168 139 S CA -0.618 57.594 58.200 0.019 0.000 0.817 139 S CB 0.143 63.430 63.200 0.145 0.000 1.146 139 S HN 0.401 nan 8.310 nan 0.000 0.475 140 W N 4.202 125.442 121.300 -0.100 0.000 2.505 140 W HA 0.290 4.949 4.660 -0.001 0.000 0.332 140 W C -1.998 174.398 176.519 -0.206 0.000 1.434 140 W CA -1.430 55.773 57.345 -0.236 0.000 1.320 140 W CB 0.252 29.428 29.460 -0.473 0.000 1.363 140 W HN 0.532 nan 8.180 nan 0.000 0.565 141 P HA -0.292 nan 4.420 nan 0.000 0.217 141 P C 1.211 178.141 177.300 -0.616 0.000 1.148 141 P CA 1.837 64.642 63.100 -0.492 0.000 0.828 141 P CB 0.071 31.545 31.700 -0.376 0.000 0.783 142 N N -1.621 116.347 118.700 -1.219 0.000 2.467 142 N HA -0.094 4.646 4.740 -0.001 0.000 0.184 142 N C 1.541 176.806 175.510 -0.410 0.000 1.106 142 N CA 0.101 52.587 53.050 -0.940 0.000 0.892 142 N CB -0.132 37.605 38.487 -1.251 0.000 0.969 142 N HN 0.303 nan 8.380 nan 0.000 0.454 143 H N 0.447 119.433 119.070 -0.140 0.000 2.319 143 H HA -0.099 4.456 4.556 -0.001 0.000 0.299 143 H C 2.221 177.656 175.328 0.179 0.000 1.092 143 H CA 1.189 57.340 56.048 0.173 0.000 1.302 143 H CB 0.276 30.238 29.762 0.333 0.000 1.373 143 H HN 0.035 nan 8.280 nan 0.000 0.497 144 K N 0.620 121.152 120.400 0.220 0.000 2.015 144 K HA -0.174 4.145 4.320 -0.001 0.000 0.216 144 K C 2.396 179.046 176.600 0.082 0.000 1.052 144 K CA 1.832 58.200 56.287 0.134 0.000 0.937 144 K CB -0.250 32.264 32.500 0.024 0.000 0.719 144 K HN 0.196 nan 8.250 nan 0.000 0.446 145 S N 0.807 116.496 115.700 -0.018 0.000 2.359 145 S HA -0.158 4.312 4.470 -0.001 0.000 0.224 145 S C 2.103 176.673 174.600 -0.050 0.000 1.035 145 S CA 1.659 59.830 58.200 -0.049 0.000 1.018 145 S CB -0.648 62.489 63.200 -0.104 0.000 0.876 145 S HN 0.385 nan 8.310 nan 0.000 0.448 146 V N -0.071 119.778 119.914 -0.109 0.000 2.261 146 V HA -0.170 3.950 4.120 -0.001 0.000 0.246 146 V C 1.918 177.897 176.094 -0.190 0.000 1.047 146 V CA 1.741 63.916 62.300 -0.209 0.000 1.015 146 V CB -1.446 30.172 31.823 -0.340 0.000 0.642 146 V HN 0.332 nan 8.190 nan 0.000 0.446 147 F N 2.046 122.025 119.950 0.048 0.000 2.075 147 F HA -0.065 4.461 4.527 -0.001 0.000 0.297 147 F C 2.464 178.267 175.800 0.006 0.000 1.113 147 F CA 2.191 60.208 58.000 0.028 0.000 1.218 147 F CB -1.459 37.549 39.000 0.014 0.000 0.984 147 F HN 0.190 nan 8.300 nan 0.000 0.472 148 N N -0.498 118.299 118.700 0.161 0.000 2.137 148 N HA -0.208 4.531 4.740 -0.001 0.000 0.190 148 N C 1.884 177.423 175.510 0.048 0.000 1.017 148 N CA 1.293 54.388 53.050 0.075 0.000 0.859 148 N CB -0.332 38.176 38.487 0.035 0.000 1.002 148 N HN 0.113 nan 8.380 nan 0.000 0.428 149 S N 0.027 115.747 115.700 0.033 0.000 2.419 149 S HA -0.048 4.422 4.470 -0.001 0.000 0.233 149 S C 1.829 176.446 174.600 0.029 0.000 1.016 149 S CA 0.929 59.138 58.200 0.015 0.000 0.974 149 S CB -0.066 63.131 63.200 -0.006 0.000 0.786 149 S HN 0.477 nan 8.310 nan 0.000 0.492 150 A N -0.106 122.747 122.820 0.054 0.000 2.218 150 A HA 0.499 4.818 4.320 -0.001 0.000 0.209 150 A C 1.470 179.091 177.584 0.060 0.000 1.168 150 A CA 0.759 52.836 52.037 0.067 0.000 0.804 150 A CB -0.483 18.585 19.000 0.113 0.000 0.834 150 A HN 0.881 nan 8.150 nan 0.000 0.482 151 G N -1.094 107.738 108.800 0.054 0.000 2.142 151 G HA2 -0.171 3.789 3.960 -0.001 0.000 0.225 151 G HA3 -0.171 3.789 3.960 -0.001 0.000 0.225 151 G C -0.032 174.890 174.900 0.037 0.000 1.015 151 G CA 0.345 45.467 45.100 0.036 0.000 0.716 151 G HN 0.414 nan 8.290 nan 0.000 0.508 155 V N 4.468 124.271 119.914 -0.185 0.000 2.409 155 V HA 0.598 4.717 4.120 -0.001 0.000 0.291 155 V C 0.004 175.891 176.094 -0.346 0.000 1.020 155 V CA -0.662 61.489 62.300 -0.250 0.000 0.848 155 V CB 1.413 33.166 31.823 -0.117 0.000 0.990 155 V HN 0.541 nan 8.190 nan 0.000 0.430 156 R N 3.088 123.240 120.500 -0.580 0.000 2.856 156 R HA 0.748 5.088 4.340 -0.001 0.000 0.258 156 R C -0.885 175.134 176.300 -0.469 0.000 1.066 156 R CA -0.854 54.811 56.100 -0.725 0.000 1.045 156 R CB 2.301 31.724 30.300 -1.462 0.000 1.178 156 R HN 0.691 nan 8.270 nan 0.000 0.499 157 E N 0.619 120.668 120.200 -0.252 0.000 2.277 157 E HA 0.320 4.669 4.350 -0.001 0.000 0.266 157 E C -1.364 175.397 176.600 0.268 0.000 0.901 157 E CA -0.838 55.548 56.400 -0.023 0.000 0.782 157 E CB 2.127 31.792 29.700 -0.058 0.000 1.228 157 E HN 0.467 nan 8.360 nan 0.000 0.424 158 Y N -0.749 119.663 120.300 0.185 0.000 2.393 158 Y HA 0.734 5.284 4.550 -0.001 0.000 0.341 158 Y C -0.332 175.641 175.900 0.121 0.000 0.988 158 Y CA -1.562 56.640 58.100 0.169 0.000 1.078 158 Y CB 0.841 39.354 38.460 0.089 0.000 1.203 158 Y HN 0.539 nan 8.280 nan 0.000 0.453 159 A N 3.158 126.134 122.820 0.259 0.000 2.540 159 A HA 0.238 4.558 4.320 -0.001 0.000 0.239 159 A C -0.702 177.042 177.584 0.266 0.000 1.061 159 A CA 0.504 52.650 52.037 0.183 0.000 0.758 159 A CB -0.272 18.799 19.000 0.117 0.000 0.991 159 A HN 1.053 nan 8.150 nan 0.000 0.502 160 Y N 1.436 121.761 120.300 0.042 0.000 3.199 160 Y HA 0.253 4.802 4.550 -0.001 0.000 0.211 160 Y C -0.076 175.869 175.900 0.075 0.000 0.959 160 Y CA 0.203 58.323 58.100 0.033 0.000 1.528 160 Y CB 0.083 38.477 38.460 -0.110 0.000 1.487 160 Y HN 0.666 nan 8.280 nan 0.000 0.403 161 Y N 2.583 122.919 120.300 0.061 0.000 2.310 161 Y HA 0.396 4.945 4.550 -0.001 0.000 0.326 161 Y C -0.698 175.198 175.900 -0.006 0.000 1.151 161 Y CA -1.355 56.743 58.100 -0.004 0.000 1.195 161 Y CB 0.850 39.386 38.460 0.126 0.000 1.210 161 Y HN 0.203 nan 8.280 nan 0.000 0.483 162 D N 4.695 124.762 120.400 -0.555 0.000 2.485 162 D HA 0.314 4.954 4.640 -0.001 0.000 0.229 162 D C 0.698 176.471 176.300 -0.879 0.000 1.101 162 D CA 0.183 53.867 54.000 -0.526 0.000 0.906 162 D CB 0.917 41.528 40.800 -0.314 0.000 1.019 162 D HN 0.765 nan 8.370 nan 0.000 0.516 163 A N 4.202 126.601 122.820 -0.702 0.000 1.915 163 A HA -0.278 4.042 4.320 -0.001 0.000 0.220 163 A C 1.869 179.055 177.584 -0.663 0.000 1.198 163 A CA 1.750 53.462 52.037 -0.542 0.000 0.647 163 A CB -0.415 18.482 19.000 -0.173 0.000 0.825 163 A HN 0.678 nan 8.150 nan 0.000 0.456 164 E N -0.019 119.866 120.200 -0.526 0.000 1.997 164 E HA -0.191 4.158 4.350 -0.001 0.000 0.201 164 E C 1.351 177.474 176.600 -0.796 0.000 1.011 164 E CA 1.429 57.513 56.400 -0.527 0.000 0.847 164 E CB -0.361 29.161 29.700 -0.296 0.000 0.787 164 E HN 0.923 nan 8.360 nan 0.000 0.472 165 N N 0.518 118.895 118.700 -0.540 0.000 2.421 165 N HA -0.032 4.707 4.740 -0.001 0.000 0.201 165 N C -0.886 174.407 175.510 -0.361 0.000 1.198 165 N CA 0.029 52.836 53.050 -0.404 0.000 0.838 165 N CB -0.241 38.145 38.487 -0.170 0.000 1.011 165 N HN 0.250 nan 8.380 nan 0.000 0.463 166 H N -0.271 118.593 119.070 -0.342 0.000 2.499 166 H HA -0.171 4.384 4.556 -0.001 0.000 0.321 166 H C -0.126 175.164 175.328 -0.065 0.000 1.026 166 H CA 0.996 56.864 56.048 -0.301 0.000 1.077 166 H CB -1.480 28.153 29.762 -0.214 0.000 1.612 166 H HN 0.337 nan 8.280 nan 0.000 0.374 167 T N -0.437 114.028 114.554 -0.150 0.000 2.671 167 T HA 0.411 4.760 4.350 -0.001 0.000 0.300 167 T C -0.983 173.688 174.700 -0.050 0.000 1.238 167 T CA -1.007 61.101 62.100 0.013 0.000 1.020 167 T CB 1.314 70.177 68.868 -0.008 0.000 1.503 167 T HN 0.305 nan 8.240 nan 0.000 0.497 168 L N 2.848 124.034 121.223 -0.062 0.000 2.315 168 L HA 0.349 4.689 4.340 -0.001 0.000 0.283 168 L C -0.510 176.290 176.870 -0.116 0.000 1.089 168 L CA -0.119 54.607 54.840 -0.189 0.000 0.833 168 L CB 0.546 42.485 42.059 -0.200 0.000 1.170 168 L HN 0.679 nan 8.230 nan 0.000 0.442 169 D N 4.357 124.678 120.400 -0.133 0.000 2.453 169 D HA -0.017 4.623 4.640 -0.001 0.000 0.223 169 D C 0.833 177.144 176.300 0.018 0.000 1.183 169 D CA -0.142 53.827 54.000 -0.051 0.000 0.933 169 D CB 0.423 41.182 40.800 -0.068 0.000 1.038 169 D HN 0.414 nan 8.370 nan 0.000 0.513 170 F N 2.365 122.253 119.950 -0.104 0.000 2.126 170 F HA -0.201 4.326 4.527 -0.001 0.000 0.299 170 F C 1.467 177.250 175.800 -0.027 0.000 1.096 170 F CA 1.596 59.554 58.000 -0.069 0.000 1.255 170 F CB 0.033 38.997 39.000 -0.060 0.000 0.997 170 F HN 0.345 nan 8.300 nan 0.000 0.479 171 D N -0.043 120.374 120.400 0.028 0.000 2.084 171 D HA -0.182 4.457 4.640 -0.001 0.000 0.194 171 D C 2.348 178.606 176.300 -0.070 0.000 0.990 171 D CA 1.480 55.459 54.000 -0.036 0.000 0.826 171 D CB -0.759 40.045 40.800 0.006 0.000 0.971 171 D HN 0.283 nan 8.370 nan 0.000 0.453 172 A N 1.239 124.036 122.820 -0.038 0.000 1.892 172 A HA -0.177 4.142 4.320 -0.001 0.000 0.218 172 A C 2.062 179.634 177.584 -0.021 0.000 1.188 172 A CA 1.051 53.077 52.037 -0.019 0.000 0.631 172 A CB -0.875 18.125 19.000 -0.001 0.000 0.822 172 A HN 0.277 nan 8.150 nan 0.000 0.447 173 L N -0.140 121.053 121.223 -0.051 0.000 1.971 173 L HA -0.206 4.134 4.340 -0.001 0.000 0.215 173 L C 2.393 179.169 176.870 -0.157 0.000 1.072 173 L CA 2.466 57.285 54.840 -0.036 0.000 0.758 173 L CB -1.031 40.952 42.059 -0.128 0.000 0.889 173 L HN 0.478 nan 8.230 nan 0.000 0.433 174 I N 0.193 120.584 120.570 -0.297 0.000 2.179 174 I HA -0.350 3.819 4.170 -0.001 0.000 0.242 174 I C 2.143 178.187 176.117 -0.122 0.000 1.088 174 I CA 1.762 62.912 61.300 -0.249 0.000 1.357 174 I CB -0.274 37.533 38.000 -0.323 0.000 1.051 174 I HN 0.395 nan 8.210 nan 0.000 0.409 175 N N 0.153 118.801 118.700 -0.088 0.000 2.104 175 N HA -0.192 4.547 4.740 -0.001 0.000 0.190 175 N C 1.937 177.424 175.510 -0.039 0.000 1.024 175 N CA 1.830 54.852 53.050 -0.045 0.000 0.853 175 N CB -0.143 38.329 38.487 -0.024 0.000 1.008 175 N HN 0.350 nan 8.380 nan 0.000 0.424 176 S N 0.377 116.061 115.700 -0.027 0.000 2.399 176 S HA -0.070 4.400 4.470 -0.001 0.000 0.231 176 S C 1.853 176.367 174.600 -0.143 0.000 1.022 176 S CA 0.740 58.942 58.200 0.003 0.000 0.983 176 S CB -0.538 62.732 63.200 0.117 0.000 0.803 176 S HN 0.243 nan 8.310 nan 0.000 0.480 177 L N 1.837 122.898 121.223 -0.270 0.000 2.376 177 L HA 0.015 4.355 4.340 -0.001 0.000 0.219 177 L C 2.590 179.244 176.870 -0.359 0.000 1.133 177 L CA 0.491 54.984 54.840 -0.578 0.000 0.816 177 L CB -0.672 40.997 42.059 -0.650 0.000 0.933 177 L HN 0.438 nan 8.230 nan 0.000 0.449 178 N N 0.809 119.427 118.700 -0.135 0.000 2.322 178 N HA -0.232 4.507 4.740 -0.001 0.000 0.189 178 N C 1.054 176.537 175.510 -0.045 0.000 1.012 178 N CA 1.410 54.441 53.050 -0.032 0.000 0.880 178 N CB 0.145 38.621 38.487 -0.017 0.000 0.967 178 N HN 0.582 nan 8.380 nan 0.000 0.439 179 E N -0.202 119.916 120.200 -0.136 0.000 2.479 179 E HA 0.187 4.537 4.350 -0.001 0.000 0.193 179 E C 0.378 176.923 176.600 -0.092 0.000 1.049 179 E CA -0.313 56.063 56.400 -0.040 0.000 0.870 179 E CB 0.338 30.110 29.700 0.121 0.000 0.944 179 E HN 0.221 nan 8.360 nan 0.000 0.492 180 A N 1.617 124.152 122.820 -0.475 0.000 2.440 180 A HA 0.110 4.430 4.320 -0.001 0.000 0.251 180 A C 0.094 177.720 177.584 0.070 0.000 1.089 180 A CA -0.123 51.614 52.037 -0.500 0.000 0.779 180 A CB 0.365 18.545 19.000 -1.367 0.000 1.022 180 A HN 0.084 nan 8.150 nan 0.000 0.492 181 Q N 0.304 120.215 119.800 0.186 0.000 2.185 181 Q HA 0.567 4.906 4.340 -0.001 0.000 0.225 181 Q C 0.284 176.443 176.000 0.265 0.000 0.983 181 Q CA -0.460 55.465 55.803 0.203 0.000 0.950 181 Q CB 1.247 30.087 28.738 0.170 0.000 1.176 181 Q HN 0.921 nan 8.270 nan 0.000 0.510 182 A N 0.083 123.010 122.820 0.178 0.000 2.450 182 A HA 0.465 4.785 4.320 -0.001 0.000 0.255 182 A C 0.888 178.574 177.584 0.170 0.000 1.096 182 A CA 0.729 52.862 52.037 0.159 0.000 0.778 182 A CB -0.685 18.357 19.000 0.069 0.000 1.031 182 A HN 0.913 nan 8.150 nan 0.000 0.494 183 G N 2.085 111.008 108.800 0.204 0.000 2.179 183 G HA2 -0.156 3.803 3.960 -0.001 0.000 0.220 183 G HA3 -0.156 3.803 3.960 -0.001 0.000 0.220 183 G C -0.142 174.864 174.900 0.176 0.000 0.990 183 G CA 0.206 45.405 45.100 0.165 0.000 0.646 183 G HN 0.778 nan 8.290 nan 0.000 0.517 184 D N -0.060 120.478 120.400 0.230 0.000 2.283 184 D HA 0.559 5.199 4.640 -0.001 0.000 0.248 184 D C 0.487 176.885 176.300 0.164 0.000 1.072 184 D CA -0.184 53.938 54.000 0.202 0.000 0.929 184 D CB 1.821 42.758 40.800 0.227 0.000 1.182 184 D HN 0.096 nan 8.370 nan 0.000 0.433 185 V N 1.970 121.951 119.914 0.111 0.000 2.439 185 V HA 0.290 4.409 4.120 -0.001 0.000 0.282 185 V C -0.015 176.063 176.094 -0.026 0.000 1.039 185 V CA -0.597 61.733 62.300 0.050 0.000 0.913 185 V CB 1.701 33.511 31.823 -0.022 0.000 0.983 185 V HN 0.230 nan 8.190 nan 0.000 0.460 186 V N 6.526 126.377 119.914 -0.104 0.000 2.357 186 V HA 0.406 4.525 4.120 -0.001 0.000 0.284 186 V C -0.169 175.699 176.094 -0.377 0.000 1.018 186 V CA -0.481 61.620 62.300 -0.331 0.000 0.841 186 V CB 1.604 33.057 31.823 -0.616 0.000 0.991 186 V HN 0.705 nan 8.190 nan 0.000 0.437 187 L N 5.746 126.750 121.223 -0.365 0.000 2.276 187 L HA 0.619 4.959 4.340 -0.001 0.000 0.286 187 L C -1.188 175.425 176.870 -0.428 0.000 1.061 187 L CA 0.018 54.666 54.840 -0.320 0.000 0.807 187 L CB 0.620 42.526 42.059 -0.256 0.000 1.177 187 L HN 0.481 nan 8.230 nan 0.000 0.429 188 F N 2.052 121.839 119.950 -0.272 0.000 2.546 188 F HA 0.386 4.912 4.527 -0.001 0.000 0.320 188 F C -0.228 175.534 175.800 -0.063 0.000 1.076 188 F CA -0.669 57.199 58.000 -0.220 0.000 0.928 188 F CB 1.312 39.906 39.000 -0.677 0.000 1.189 188 F HN 0.400 nan 8.300 nan 0.000 0.465 189 H N 0.937 120.180 119.070 0.288 0.000 2.652 189 H HA 0.290 4.846 4.556 -0.001 0.000 0.298 189 H C 1.102 176.682 175.328 0.420 0.000 1.076 189 H CA 0.061 56.292 56.048 0.305 0.000 1.360 189 H CB 1.261 31.190 29.762 0.278 0.000 1.421 189 H HN 0.780 nan 8.280 nan 0.000 0.464 190 G N 2.580 111.570 108.800 0.318 0.000 2.553 190 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.218 190 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.218 190 G C 0.300 175.365 174.900 0.276 0.000 1.195 190 G CA 1.259 46.283 45.100 -0.125 0.000 0.779 190 G HN 0.803 nan 8.290 nan 0.000 0.577 191 C N -5.546 114.061 119.300 0.513 0.000 3.306 191 C HA 0.562 5.021 4.460 -0.001 0.000 0.335 191 C C 0.320 175.591 174.990 0.469 0.000 1.382 191 C CA -0.896 58.438 59.018 0.526 0.000 1.254 191 C CB 0.742 28.782 27.740 0.501 0.000 1.555 191 C HN 1.052 nan 8.230 nan 0.000 0.463 192 C N 2.376 121.887 119.300 0.352 0.000 4.067 192 C HA -0.122 4.338 4.460 -0.001 0.000 0.305 192 C C 0.509 175.619 174.990 0.199 0.000 1.305 192 C CA 1.055 60.184 59.018 0.186 0.000 2.111 192 C CB -3.195 24.545 27.740 -0.000 0.000 1.339 192 C HN 1.246 nan 8.230 nan 0.000 0.668 193 H N 1.895 121.079 119.070 0.190 0.000 3.216 193 H HA -0.012 4.544 4.556 -0.001 0.000 0.283 193 H C 0.564 175.907 175.328 0.024 0.000 0.921 193 H CA 1.238 57.329 56.048 0.072 0.000 1.419 193 H CB 0.436 30.174 29.762 -0.040 0.000 1.460 193 H HN 0.682 nan 8.280 nan 0.000 0.553 194 N N 7.437 125.953 118.700 -0.306 0.000 2.439 194 N HA 0.132 4.871 4.740 -0.001 0.000 0.249 194 N C -2.216 173.036 175.510 -0.431 0.000 1.003 194 N CA -2.201 50.745 53.050 -0.173 0.000 0.942 194 N CB 1.262 39.783 38.487 0.057 0.000 1.115 194 N HN 0.419 nan 8.380 nan 0.000 0.505 195 P HA 0.156 nan 4.420 nan 0.000 0.291 195 P C 0.762 177.856 177.300 -0.343 0.000 1.388 195 P CA 0.083 62.955 63.100 -0.382 0.000 1.061 195 P CB 0.311 31.718 31.700 -0.487 0.000 1.534 196 T N -3.900 110.514 114.554 -0.234 0.000 2.857 196 T HA 0.130 4.479 4.350 -0.001 0.000 0.266 196 T C 1.727 176.432 174.700 0.008 0.000 1.048 196 T CA 1.574 63.482 62.100 -0.320 0.000 1.139 196 T CB -1.251 67.336 68.868 -0.469 0.000 0.874 196 T HN 0.180 nan 8.240 nan 0.000 0.455 197 G N 1.232 110.118 108.800 0.144 0.000 2.176 197 G HA2 -0.159 3.800 3.960 -0.001 0.000 0.253 197 G HA3 -0.159 3.800 3.960 -0.001 0.000 0.253 197 G C 0.022 175.042 174.900 0.200 0.000 0.979 197 G CA 0.067 45.267 45.100 0.168 0.000 0.641 197 G HN 0.617 nan 8.290 nan 0.000 0.530 198 I N 1.688 122.386 120.570 0.214 0.000 2.315 198 I HA 0.449 4.619 4.170 -0.001 0.000 0.291 198 I C -0.657 175.609 176.117 0.247 0.000 1.006 198 I CA -0.532 60.891 61.300 0.205 0.000 1.265 198 I CB 1.208 39.320 38.000 0.186 0.000 1.387 198 I HN -0.068 nan 8.210 nan 0.000 0.475 199 D N 7.652 128.174 120.400 0.204 0.000 2.433 199 D HA 0.543 5.183 4.640 -0.001 0.000 0.236 199 D C -2.290 174.030 176.300 0.034 0.000 1.026 199 D CA -1.214 52.914 54.000 0.213 0.000 0.884 199 D CB 1.971 42.954 40.800 0.304 0.000 1.384 199 D HN 0.202 nan 8.370 nan 0.000 0.477 200 P HA 0.172 nan 4.420 nan 0.000 0.274 200 P C 0.089 177.248 177.300 -0.235 0.000 1.256 200 P CA -0.394 62.481 63.100 -0.376 0.000 0.795 200 P CB 0.268 31.472 31.700 -0.827 0.000 1.038 201 T N -2.310 112.125 114.554 -0.198 0.000 2.810 201 T HA 0.209 4.559 4.350 -0.001 0.000 0.277 201 T C 1.250 176.029 174.700 0.132 0.000 0.973 201 T CA -0.682 61.409 62.100 -0.014 0.000 0.949 201 T CB 0.108 68.939 68.868 -0.062 0.000 1.075 201 T HN 0.239 nan 8.240 nan 0.000 0.537 202 L N -0.147 121.213 121.223 0.227 0.000 2.093 202 L HA -0.033 4.307 4.340 -0.001 0.000 0.208 202 L C 2.927 179.933 176.870 0.227 0.000 1.085 202 L CA 1.587 56.624 54.840 0.328 0.000 0.755 202 L CB -0.448 41.734 42.059 0.204 0.000 0.904 202 L HN 0.863 nan 8.230 nan 0.000 0.435 203 E N -0.553 119.700 120.200 0.089 0.000 2.077 203 E HA -0.283 4.067 4.350 -0.001 0.000 0.193 203 E C 2.128 178.720 176.600 -0.014 0.000 0.989 203 E CA 1.377 57.794 56.400 0.029 0.000 0.800 203 E CB 0.062 29.747 29.700 -0.026 0.000 0.746 203 E HN 0.597 nan 8.360 nan 0.000 0.452 204 Q N -0.854 118.855 119.800 -0.152 0.000 2.167 204 Q HA -0.164 4.175 4.340 -0.001 0.000 0.202 204 Q C 1.746 177.791 176.000 0.074 0.000 0.970 204 Q CA 1.110 56.721 55.803 -0.321 0.000 0.855 204 Q CB -0.141 28.134 28.738 -0.770 0.000 0.911 204 Q HN 0.439 nan 8.270 nan 0.000 0.438 205 W N 1.224 122.595 121.300 0.117 0.000 2.358 205 W HA -0.185 4.475 4.660 -0.001 0.000 0.303 205 W C 2.342 178.972 176.519 0.186 0.000 1.208 205 W CA 0.699 58.176 57.345 0.221 0.000 1.274 205 W CB 0.142 29.723 29.460 0.201 0.000 1.138 205 W HN 0.205 nan 8.180 nan 0.000 0.515 206 Q N -0.599 119.399 119.800 0.331 0.000 2.084 206 Q HA -0.168 4.172 4.340 -0.001 0.000 0.202 206 Q C 2.102 178.168 176.000 0.110 0.000 0.978 206 Q CA 2.400 58.301 55.803 0.163 0.000 0.844 206 Q CB -0.547 28.255 28.738 0.107 0.000 0.898 206 Q HN 0.127 nan 8.270 nan 0.000 0.426 207 T N 1.027 115.676 114.554 0.158 0.000 2.652 207 T HA -0.155 4.194 4.350 -0.001 0.000 0.267 207 T C 1.748 176.556 174.700 0.180 0.000 1.039 207 T CA 1.092 63.296 62.100 0.174 0.000 1.153 207 T CB -0.333 68.709 68.868 0.290 0.000 0.863 207 T HN 0.190 nan 8.240 nan 0.000 0.428 208 L N 0.660 122.062 121.223 0.299 0.000 2.127 208 L HA -0.135 4.205 4.340 -0.001 0.000 0.211 208 L C 2.925 179.843 176.870 0.080 0.000 1.089 208 L CA 1.134 56.166 54.840 0.322 0.000 0.757 208 L CB -0.581 41.767 42.059 0.482 0.000 0.899 208 L HN 0.269 nan 8.230 nan 0.000 0.434 209 A N -0.798 121.890 122.820 -0.220 0.000 2.015 209 A HA -0.194 4.126 4.320 -0.001 0.000 0.219 209 A C 2.198 179.592 177.584 -0.316 0.000 1.163 209 A CA 1.199 52.796 52.037 -0.732 0.000 0.646 209 A CB -0.233 18.359 19.000 -0.679 0.000 0.806 209 A HN 0.488 nan 8.150 nan 0.000 0.448 210 Q N -0.587 119.113 119.800 -0.167 0.000 2.096 210 Q HA 0.059 4.399 4.340 -0.001 0.000 0.197 210 Q C 2.059 177.956 176.000 -0.171 0.000 0.964 210 Q CA 0.797 56.509 55.803 -0.151 0.000 0.838 210 Q CB -0.231 28.455 28.738 -0.087 0.000 0.906 210 Q HN 0.619 nan 8.270 nan 0.000 0.444 211 L N 0.637 121.780 121.223 -0.133 0.000 1.944 211 L HA -0.281 4.058 4.340 -0.001 0.000 0.218 211 L C 2.716 179.295 176.870 -0.486 0.000 1.075 211 L CA 1.737 56.433 54.840 -0.240 0.000 0.767 211 L CB -0.779 41.211 42.059 -0.115 0.000 0.890 211 L HN 0.326 nan 8.230 nan 0.000 0.434 212 S N -0.753 114.715 115.700 -0.387 0.000 2.409 212 S HA -0.237 4.232 4.470 -0.001 0.000 0.237 212 S C 1.793 176.247 174.600 -0.243 0.000 1.060 212 S CA 2.153 60.177 58.200 -0.293 0.000 1.052 212 S CB -0.535 63.031 63.200 0.611 0.000 0.871 212 S HN 0.252 nan 8.310 nan 0.000 0.465 213 V N 1.506 121.277 119.914 -0.238 0.000 2.302 213 V HA -0.058 4.062 4.120 -0.001 0.000 0.243 213 V C 2.721 178.651 176.094 -0.273 0.000 1.036 213 V CA 2.004 64.128 62.300 -0.293 0.000 1.020 213 V CB -0.822 30.758 31.823 -0.405 0.000 0.657 213 V HN 0.591 nan 8.190 nan 0.000 0.453 214 E N 0.355 120.383 120.200 -0.287 0.000 2.038 214 E HA -0.312 4.038 4.350 -0.001 0.000 0.195 214 E C 2.152 178.568 176.600 -0.306 0.000 1.000 214 E CA 1.750 58.000 56.400 -0.250 0.000 0.803 214 E CB -0.033 29.534 29.700 -0.223 0.000 0.750 214 E HN 0.397 nan 8.360 nan 0.000 0.448 215 K N -1.027 119.066 120.400 -0.511 0.000 2.439 215 K HA -0.023 4.297 4.320 -0.001 0.000 0.197 215 K C 0.785 177.044 176.600 -0.569 0.000 1.041 215 K CA 0.744 56.638 56.287 -0.656 0.000 0.970 215 K CB 0.149 31.990 32.500 -1.099 0.000 0.773 215 K HN 0.369 nan 8.250 nan 0.000 0.479 216 G N 0.201 108.754 108.800 -0.412 0.000 2.182 216 G HA2 -0.175 3.785 3.960 -0.001 0.000 0.248 216 G HA3 -0.175 3.785 3.960 -0.001 0.000 0.248 216 G C -0.566 174.367 174.900 0.054 0.000 1.042 216 G CA -0.201 44.817 45.100 -0.137 0.000 0.775 216 G HN 0.069 nan 8.290 nan 0.000 0.501 217 W N -0.693 120.678 121.300 0.118 0.000 2.359 217 W HA 0.688 5.347 4.660 -0.001 0.000 0.344 217 W C 0.447 177.082 176.519 0.195 0.000 1.170 217 W CA -1.661 55.761 57.345 0.129 0.000 1.296 217 W CB 0.749 30.276 29.460 0.113 0.000 1.197 217 W HN 0.057 nan 8.180 nan 0.000 0.618 218 L N 5.696 127.165 121.223 0.410 0.000 2.264 218 L HA 0.313 4.652 4.340 -0.001 0.000 0.287 218 L C -2.162 174.879 176.870 0.284 0.000 1.039 218 L CA -1.726 53.300 54.840 0.310 0.000 0.829 218 L CB 1.005 43.204 42.059 0.233 0.000 1.211 218 L HN -0.050 nan 8.230 nan 0.000 0.427 219 P HA 0.223 nan 4.420 nan 0.000 0.280 219 P C -0.999 176.440 177.300 0.232 0.000 1.244 219 P CA -0.213 63.057 63.100 0.283 0.000 0.784 219 P CB 1.240 33.145 31.700 0.343 0.000 0.913 220 L N 3.978 125.279 121.223 0.129 0.000 2.372 220 L HA 0.488 4.827 4.340 -0.001 0.000 0.274 220 L C -1.133 175.772 176.870 0.059 0.000 0.988 220 L CA -0.787 54.141 54.840 0.146 0.000 0.833 220 L CB 0.500 42.626 42.059 0.111 0.000 1.236 220 L HN 0.183 nan 8.230 nan 0.000 0.410 221 F N 2.682 122.676 119.950 0.074 0.000 2.410 221 F HA 0.258 4.785 4.527 -0.001 0.000 0.349 221 F C 0.424 176.250 175.800 0.044 0.000 1.117 221 F CA -0.375 57.639 58.000 0.022 0.000 1.104 221 F CB 1.178 40.102 39.000 -0.127 0.000 1.122 221 F HN 0.367 nan 8.300 nan 0.000 0.483 222 D N 4.118 124.599 120.400 0.135 0.000 2.428 222 D HA 0.112 4.751 4.640 -0.001 0.000 0.221 222 D C -1.238 175.173 176.300 0.185 0.000 1.123 222 D CA -0.120 53.937 54.000 0.095 0.000 0.869 222 D CB 0.028 40.802 40.800 -0.043 0.000 1.032 222 D HN 0.119 nan 8.370 nan 0.000 0.506 223 F N 3.253 123.225 119.950 0.037 0.000 2.291 223 F HA 0.482 5.008 4.527 -0.001 0.000 0.368 223 F C 0.519 176.276 175.800 -0.072 0.000 1.085 223 F CA -1.377 56.637 58.000 0.023 0.000 1.165 223 F CB 0.758 39.748 39.000 -0.016 0.000 1.429 223 F HN 0.461 nan 8.300 nan 0.000 0.503 224 A N 3.801 126.704 122.820 0.139 0.000 2.469 224 A HA 0.192 4.512 4.320 -0.001 0.000 0.245 224 A C -0.290 177.031 177.584 -0.438 0.000 1.221 224 A CA 0.179 52.075 52.037 -0.235 0.000 0.946 224 A CB -0.141 18.604 19.000 -0.426 0.000 1.049 224 A HN 0.510 nan 8.150 nan 0.000 0.529 225 Y N 0.291 120.634 120.300 0.072 0.000 2.634 225 Y HA 0.303 4.852 4.550 -0.001 0.000 0.292 225 Y C 0.526 176.554 175.900 0.214 0.000 0.996 225 Y CA -0.639 57.560 58.100 0.165 0.000 1.165 225 Y CB 0.203 38.732 38.460 0.115 0.000 1.194 225 Y HN 0.371 nan 8.280 nan 0.000 0.585 226 Q N 0.652 120.420 119.800 -0.054 0.000 2.271 226 Q HA 0.357 4.696 4.340 -0.001 0.000 0.273 226 Q C 1.113 177.107 176.000 -0.011 0.000 1.051 226 Q CA 1.424 57.098 55.803 -0.214 0.000 0.901 226 Q CB 0.393 28.696 28.738 -0.725 0.000 1.174 226 Q HN 0.825 nan 8.270 nan 0.000 0.385 227 G N 3.293 112.092 108.800 -0.001 0.000 2.238 227 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.217 227 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.217 227 G C 0.197 174.964 174.900 -0.221 0.000 0.996 227 G CA 0.071 45.067 45.100 -0.173 0.000 0.632 227 G HN 0.657 nan 8.290 nan 0.000 0.503 228 F N 1.651 121.623 119.950 0.036 0.000 2.789 228 F HA 0.565 5.091 4.527 -0.001 0.000 0.300 228 F C 2.493 178.320 175.800 0.047 0.000 1.132 228 F CA 1.268 59.294 58.000 0.043 0.000 1.404 228 F CB 0.105 39.167 39.000 0.103 0.000 1.114 228 F HN 0.404 nan 8.300 nan 0.000 0.584 229 A N 0.561 123.516 122.820 0.224 0.000 1.972 229 A HA 0.163 4.483 4.320 -0.001 0.000 0.219 229 A C 2.102 179.752 177.584 0.110 0.000 1.467 229 A CA 0.624 52.768 52.037 0.179 0.000 0.631 229 A CB -0.116 19.014 19.000 0.217 0.000 1.143 229 A HN 0.214 nan 8.150 nan 0.000 0.502 230 R N -2.004 118.551 120.500 0.092 0.000 2.243 230 R HA 0.416 4.755 4.340 -0.001 0.000 0.193 230 R C 0.649 176.948 176.300 -0.001 0.000 0.933 230 R CA 0.628 56.757 56.100 0.049 0.000 1.105 230 R CB 0.916 31.256 30.300 0.067 0.000 1.169 230 R HN 0.634 nan 8.270 nan 0.000 0.599 234 E N 1.463 121.664 120.200 0.002 0.000 2.033 234 E HA -0.126 4.223 4.350 -0.001 0.000 0.189 234 E C 1.603 178.225 176.600 0.037 0.000 0.979 234 E CA 1.474 57.885 56.400 0.018 0.000 0.802 234 E CB 0.105 29.810 29.700 0.008 0.000 0.763 234 E HN 0.450 nan 8.360 nan 0.000 0.449 235 E N 1.478 121.701 120.200 0.037 0.000 2.070 235 E HA -0.189 4.160 4.350 -0.001 0.000 0.197 235 E C 1.739 178.396 176.600 0.095 0.000 1.004 235 E CA 1.482 57.917 56.400 0.059 0.000 0.805 235 E CB -0.179 29.554 29.700 0.055 0.000 0.744 235 E HN 0.158 nan 8.360 nan 0.000 0.451 236 D N -0.184 120.290 120.400 0.124 0.000 2.221 236 D HA -0.109 4.530 4.640 -0.001 0.000 0.204 236 D C 1.403 177.868 176.300 0.275 0.000 0.982 236 D CA 1.297 55.428 54.000 0.220 0.000 0.857 236 D CB -0.173 40.766 40.800 0.231 0.000 0.934 236 D HN 0.249 nan 8.370 nan 0.000 0.475 237 A N 0.216 123.148 122.820 0.187 0.000 2.251 237 A HA 0.001 4.321 4.320 -0.001 0.000 0.209 237 A C 1.796 179.314 177.584 -0.111 0.000 1.187 237 A CA 0.107 52.212 52.037 0.114 0.000 0.823 237 A CB -0.131 18.945 19.000 0.126 0.000 0.846 237 A HN 0.096 nan 8.150 nan 0.000 0.486 238 E N 0.148 120.294 120.200 -0.090 0.000 2.035 238 E HA -0.237 4.113 4.350 -0.001 0.000 0.204 238 E C 2.164 178.582 176.600 -0.302 0.000 1.025 238 E CA 1.346 57.672 56.400 -0.123 0.000 0.835 238 E CB -0.457 29.228 29.700 -0.024 0.000 0.764 238 E HN 0.581 nan 8.360 nan 0.000 0.457 239 G N 1.756 110.142 108.800 -0.690 0.000 2.491 239 G HA2 -0.299 3.661 3.960 -0.001 0.000 0.218 239 G HA3 -0.299 3.661 3.960 -0.001 0.000 0.218 239 G C 1.561 175.945 174.900 -0.860 0.000 1.180 239 G CA 0.794 45.074 45.100 -1.367 0.000 0.774 239 G HN 0.176 nan 8.290 nan 0.000 0.562 240 L N -0.307 120.319 121.223 -0.994 0.000 2.042 240 L HA -0.073 4.267 4.340 -0.001 0.000 0.210 240 L C 3.173 179.800 176.870 -0.406 0.000 1.076 240 L CA 1.527 55.726 54.840 -1.068 0.000 0.749 240 L CB -0.181 41.238 42.059 -1.066 0.000 0.893 240 L HN 0.167 nan 8.230 nan 0.000 0.432 241 R N -0.452 119.909 120.500 -0.232 0.000 2.120 241 R HA -0.099 4.240 4.340 -0.001 0.000 0.234 241 R C 2.262 178.569 176.300 0.012 0.000 1.123 241 R CA 1.344 57.422 56.100 -0.036 0.000 0.975 241 R CB -0.428 29.870 30.300 -0.004 0.000 0.866 241 R HN 0.478 nan 8.270 nan 0.000 0.446 242 A N -0.556 122.266 122.820 0.004 0.000 1.968 242 A HA -0.093 4.226 4.320 -0.001 0.000 0.217 242 A C 1.744 179.399 177.584 0.118 0.000 1.169 242 A CA 0.929 53.005 52.037 0.066 0.000 0.638 242 A CB -0.430 18.628 19.000 0.096 0.000 0.812 242 A HN 0.231 nan 8.150 nan 0.000 0.446 243 F N 0.172 120.114 119.950 -0.012 0.000 2.163 243 F HA 0.002 4.529 4.527 -0.001 0.000 0.297 243 F C 2.727 178.636 175.800 0.181 0.000 1.094 243 F CA 0.888 58.965 58.000 0.128 0.000 1.290 243 F CB -0.449 38.572 39.000 0.036 0.000 1.017 243 F HN 0.246 nan 8.300 nan 0.000 0.483 244 A N -0.267 122.683 122.820 0.218 0.000 2.024 244 A HA -0.108 4.212 4.320 -0.001 0.000 0.220 244 A C 2.312 179.932 177.584 0.061 0.000 1.164 244 A CA 1.735 53.840 52.037 0.114 0.000 0.643 244 A CB -1.170 17.875 19.000 0.076 0.000 0.806 244 A HN 0.319 nan 8.150 nan 0.000 0.451 245 A N -0.920 121.936 122.820 0.059 0.000 2.016 245 A HA 0.090 4.409 4.320 -0.001 0.000 0.217 245 A C 2.145 179.726 177.584 -0.005 0.000 1.162 245 A CA 1.404 53.450 52.037 0.014 0.000 0.662 245 A CB -0.305 18.700 19.000 0.007 0.000 0.812 245 A HN 0.507 nan 8.150 nan 0.000 0.450 246 M N -1.008 118.593 119.600 0.002 0.000 2.447 246 M HA 0.144 4.623 4.480 -0.001 0.000 0.266 246 M C 0.269 176.456 176.300 -0.188 0.000 1.120 246 M CA 0.409 55.634 55.300 -0.125 0.000 1.166 246 M CB -0.786 31.662 32.600 -0.253 0.000 1.349 246 M HN 0.345 nan 8.290 nan 0.000 0.463 247 H N 0.648 119.721 119.070 0.006 0.000 2.607 247 H HA 0.145 4.700 4.556 -0.001 0.000 0.367 247 H C 0.854 176.199 175.328 0.028 0.000 1.181 247 H CA 0.474 56.551 56.048 0.048 0.000 1.402 247 H CB 1.214 31.063 29.762 0.144 0.000 1.474 247 H HN -0.093 nan 8.280 nan 0.000 0.596 248 K N 0.091 120.584 120.400 0.155 0.000 2.287 248 K HA 0.142 4.462 4.320 -0.001 0.000 0.199 248 K C -0.432 176.240 176.600 0.120 0.000 1.061 248 K CA 0.585 56.927 56.287 0.091 0.000 0.976 248 K CB 0.763 33.303 32.500 0.068 0.000 0.898 248 K HN 0.633 nan 8.250 nan 0.000 0.492 249 E N 0.041 120.356 120.200 0.191 0.000 2.222 249 E HA 0.497 4.847 4.350 -0.001 0.000 0.267 249 E C -1.588 175.148 176.600 0.227 0.000 0.884 249 E CA -0.708 55.807 56.400 0.191 0.000 0.764 249 E CB 2.400 32.213 29.700 0.188 0.000 1.169 249 E HN -0.085 nan 8.360 nan 0.000 0.413 250 L N 2.536 123.879 121.223 0.200 0.000 2.622 250 L HA 0.560 4.900 4.340 -0.001 0.000 0.258 250 L C -1.939 175.070 176.870 0.230 0.000 0.996 250 L CA -0.380 54.591 54.840 0.220 0.000 0.858 250 L CB 1.963 44.141 42.059 0.198 0.000 1.449 250 L HN 0.571 nan 8.230 nan 0.000 0.411 251 I N 2.948 123.676 120.570 0.263 0.000 2.545 251 I HA 0.640 4.810 4.170 -0.001 0.000 0.292 251 I C -1.257 175.023 176.117 0.272 0.000 1.040 251 I CA -0.967 60.485 61.300 0.254 0.000 1.068 251 I CB 2.145 40.299 38.000 0.257 0.000 1.251 251 I HN 0.181 nan 8.210 nan 0.000 0.424 252 V N 4.211 124.265 119.914 0.234 0.000 2.525 252 V HA 0.636 4.755 4.120 -0.001 0.000 0.299 252 V C -0.143 176.055 176.094 0.172 0.000 1.034 252 V CA -0.628 61.800 62.300 0.214 0.000 0.863 252 V CB 1.704 33.623 31.823 0.161 0.000 0.999 252 V HN 0.822 nan 8.190 nan 0.000 0.423 253 A N 3.538 126.462 122.820 0.174 0.000 2.277 253 A HA 0.817 5.136 4.320 -0.001 0.000 0.318 253 A C 0.211 177.850 177.584 0.092 0.000 1.339 253 A CA -0.321 51.794 52.037 0.130 0.000 0.875 253 A CB 0.683 19.767 19.000 0.140 0.000 1.158 253 A HN 1.040 nan 8.150 nan 0.000 0.514 254 S N 1.348 117.061 115.700 0.020 0.000 2.621 254 S HA 0.842 5.311 4.470 -0.001 0.000 0.302 254 S C -0.072 174.406 174.600 -0.203 0.000 1.093 254 S CA -0.588 57.555 58.200 -0.096 0.000 1.017 254 S CB 1.778 64.853 63.200 -0.208 0.000 1.077 254 S HN 0.916 nan 8.310 nan 0.000 0.517 255 S N -0.182 115.332 115.700 -0.310 0.000 2.542 255 S HA 0.607 5.076 4.470 -0.001 0.000 0.293 255 S C -1.272 173.095 174.600 -0.389 0.000 1.089 255 S CA -0.598 57.434 58.200 -0.280 0.000 0.961 255 S CB 0.728 63.795 63.200 -0.222 0.000 1.062 255 S HN 0.694 nan 8.310 nan 0.000 0.483 256 Y N 1.900 122.177 120.300 -0.037 0.000 2.531 256 Y HA 0.290 4.839 4.550 -0.001 0.000 0.249 256 Y C 2.225 178.126 175.900 0.002 0.000 1.168 256 Y CA -0.137 57.966 58.100 0.006 0.000 1.226 256 Y CB 0.165 38.552 38.460 -0.122 0.000 1.177 256 Y HN 0.576 nan 8.280 nan 0.000 0.527 257 S N 0.259 115.978 115.700 0.031 0.000 2.370 257 S HA -0.199 4.270 4.470 -0.001 0.000 0.226 257 S C 1.825 176.263 174.600 -0.271 0.000 1.033 257 S CA 1.794 59.941 58.200 -0.088 0.000 1.011 257 S CB -0.002 63.195 63.200 -0.006 0.000 0.852 257 S HN 0.407 nan 8.310 nan 0.000 0.457 258 K N 1.449 121.788 120.400 -0.101 0.000 2.168 258 K HA 0.124 4.444 4.320 -0.001 0.000 0.201 258 K C 1.751 178.527 176.600 0.294 0.000 1.049 258 K CA 0.929 57.219 56.287 0.006 0.000 0.974 258 K CB -0.184 32.199 32.500 -0.195 0.000 0.792 258 K HN 0.554 nan 8.250 nan 0.000 0.463 259 N N -0.311 118.614 118.700 0.375 0.000 2.512 259 N HA -0.101 4.638 4.740 -0.001 0.000 0.183 259 N C 0.604 176.231 175.510 0.195 0.000 1.073 259 N CA 0.737 53.971 53.050 0.307 0.000 0.911 259 N CB 0.054 38.699 38.487 0.264 0.000 0.964 259 N HN 0.062 nan 8.380 nan 0.000 0.447 260 F N -0.154 119.882 119.950 0.143 0.000 2.706 260 F HA 0.394 4.920 4.527 -0.001 0.000 0.313 260 F C 1.478 177.230 175.800 -0.079 0.000 1.096 260 F CA -0.127 57.908 58.000 0.058 0.000 1.219 260 F CB 0.804 39.743 39.000 -0.102 0.000 1.051 260 F HN 0.084 nan 8.300 nan 0.000 0.568 261 G N 1.395 110.135 108.800 -0.099 0.000 2.283 261 G HA2 -0.320 3.639 3.960 -0.001 0.000 0.280 261 G HA3 -0.320 3.639 3.960 -0.001 0.000 0.280 261 G C 0.618 175.287 174.900 -0.384 0.000 1.029 261 G CA 0.469 45.359 45.100 -0.351 0.000 0.840 261 G HN 0.434 nan 8.290 nan 0.000 0.505 262 L N -0.494 120.528 121.223 -0.335 0.000 2.791 262 L HA 0.272 4.611 4.340 -0.001 0.000 0.239 262 L C 2.228 179.038 176.870 -0.101 0.000 1.203 262 L CA -0.758 53.998 54.840 -0.140 0.000 1.002 262 L CB -0.342 41.690 42.059 -0.044 0.000 1.295 262 L HN 0.312 nan 8.230 nan 0.000 0.504 263 Y N 0.670 121.004 120.300 0.057 0.000 2.012 263 Y HA -0.481 4.068 4.550 -0.001 0.000 0.243 263 Y C 2.251 178.158 175.900 0.013 0.000 1.237 263 Y CA 2.349 60.465 58.100 0.028 0.000 1.057 263 Y CB -1.239 37.232 38.460 0.018 0.000 0.866 263 Y HN 0.543 nan 8.280 nan 0.000 0.511 264 N N -0.495 118.317 118.700 0.186 0.000 2.521 264 N HA -0.087 4.652 4.740 -0.001 0.000 0.188 264 N C 0.931 176.462 175.510 0.035 0.000 1.146 264 N CA 0.610 53.713 53.050 0.088 0.000 0.893 264 N CB -0.035 38.493 38.487 0.068 0.000 0.975 264 N HN 0.422 nan 8.380 nan 0.000 0.451 265 E N 0.839 121.057 120.200 0.029 0.000 2.400 265 E HA 0.014 4.363 4.350 -0.001 0.000 0.195 265 E C -0.171 176.413 176.600 -0.028 0.000 1.012 265 E CA 0.071 56.472 56.400 0.002 0.000 0.875 265 E CB 0.207 29.926 29.700 0.033 0.000 0.859 265 E HN 0.278 nan 8.360 nan 0.000 0.498 266 R N -0.152 120.336 120.500 -0.019 0.000 2.855 266 R HA -0.103 4.236 4.340 -0.001 0.000 0.288 266 R C -0.910 175.347 176.300 -0.072 0.000 0.942 266 R CA 0.180 56.254 56.100 -0.043 0.000 0.705 266 R CB -2.999 27.259 30.300 -0.071 0.000 1.791 266 R HN -0.066 nan 8.270 nan 0.000 0.478 267 V N 0.612 120.507 119.914 -0.032 0.000 2.407 267 V HA 0.908 5.028 4.120 -0.001 0.000 0.291 267 V C 1.014 177.183 176.094 0.126 0.000 1.018 267 V CA -0.004 62.292 62.300 -0.007 0.000 0.842 267 V CB 2.162 33.980 31.823 -0.008 0.000 0.996 267 V HN 0.777 nan 8.190 nan 0.000 0.426 268 G N 2.751 111.632 108.800 0.134 0.000 2.645 268 G HA2 0.918 4.878 3.960 -0.001 0.000 0.292 268 G HA3 0.918 4.878 3.960 -0.001 0.000 0.292 268 G C -1.481 173.573 174.900 0.257 0.000 1.415 268 G CA -0.159 45.031 45.100 0.150 0.000 0.785 268 G HN 1.157 nan 8.290 nan 0.000 0.483 269 A N -1.565 121.362 122.820 0.178 0.000 2.549 269 A HA 0.640 4.959 4.320 -0.001 0.000 0.297 269 A C -1.185 176.488 177.584 0.148 0.000 1.061 269 A CA -0.373 51.806 52.037 0.236 0.000 0.690 269 A CB 1.508 20.678 19.000 0.283 0.000 1.287 269 A HN 1.764 nan 8.150 nan 0.000 0.402 270 C N 2.122 121.530 119.300 0.180 0.000 2.291 270 C HA 0.739 5.199 4.460 -0.001 0.000 0.322 270 C C 0.049 175.145 174.990 0.178 0.000 1.205 270 C CA -0.012 59.105 59.018 0.164 0.000 1.495 270 C CB -0.721 27.113 27.740 0.156 0.000 2.127 270 C HN 0.781 nan 8.230 nan 0.000 0.452 271 T N 6.884 121.530 114.554 0.153 0.000 2.749 271 T HA 0.335 4.684 4.350 -0.001 0.000 0.287 271 T C -0.365 174.430 174.700 0.159 0.000 0.970 271 T CA -0.168 62.023 62.100 0.152 0.000 0.980 271 T CB 0.827 69.799 68.868 0.173 0.000 0.924 271 T HN 0.612 nan 8.240 nan 0.000 0.456 272 L N 5.125 126.413 121.223 0.110 0.000 2.272 272 L HA 0.567 4.906 4.340 -0.001 0.000 0.289 272 L C -0.878 176.029 176.870 0.061 0.000 1.032 272 L CA -0.557 54.337 54.840 0.090 0.000 0.810 272 L CB 1.107 43.214 42.059 0.080 0.000 1.205 272 L HN 0.398 nan 8.230 nan 0.000 0.422 273 V N 4.526 124.493 119.914 0.087 0.000 2.495 273 V HA 0.757 4.877 4.120 -0.001 0.000 0.298 273 V C 0.225 176.358 176.094 0.066 0.000 1.031 273 V CA -0.475 61.843 62.300 0.031 0.000 0.871 273 V CB 1.516 33.330 31.823 -0.014 0.000 0.988 273 V HN 0.920 nan 8.190 nan 0.000 0.432 274 A N 3.322 126.165 122.820 0.038 0.000 2.437 274 A HA 0.906 5.226 4.320 -0.001 0.000 0.288 274 A C 1.055 178.659 177.584 0.032 0.000 1.201 274 A CA 0.061 52.135 52.037 0.062 0.000 0.795 274 A CB 1.354 20.401 19.000 0.078 0.000 1.359 274 A HN 1.120 nan 8.150 nan 0.000 0.435 275 A N -0.526 122.318 122.820 0.041 0.000 1.969 275 A HA 0.266 4.585 4.320 -0.001 0.000 0.218 275 A C 0.514 178.102 177.584 0.006 0.000 1.169 275 A CA 2.203 54.254 52.037 0.022 0.000 0.635 275 A CB -0.727 18.289 19.000 0.027 0.000 0.810 275 A HN 1.033 nan 8.150 nan 0.000 0.445 276 D N -4.455 115.952 120.400 0.011 0.000 2.596 276 D HA 0.364 5.003 4.640 -0.001 0.000 0.262 276 D C 0.547 176.849 176.300 0.003 0.000 1.210 276 D CA 0.078 54.079 54.000 0.002 0.000 0.873 276 D CB 0.567 41.371 40.800 0.006 0.000 1.408 276 D HN -0.106 nan 8.370 nan 0.000 0.441 277 S N -0.636 115.061 115.700 -0.005 0.000 2.383 277 S HA -0.265 4.205 4.470 -0.001 0.000 0.229 277 S C 1.421 176.028 174.600 0.011 0.000 1.030 277 S CA 1.762 59.958 58.200 -0.006 0.000 1.002 277 S CB -0.450 62.742 63.200 -0.012 0.000 0.829 277 S HN 0.524 nan 8.310 nan 0.000 0.467 278 E N -0.015 120.197 120.200 0.019 0.000 2.107 278 E HA -0.091 4.258 4.350 -0.001 0.000 0.191 278 E C 1.906 178.534 176.600 0.047 0.000 0.982 278 E CA 1.489 57.908 56.400 0.031 0.000 0.809 278 E CB -0.424 29.293 29.700 0.028 0.000 0.756 278 E HN 0.619 nan 8.360 nan 0.000 0.459 279 T N 1.024 115.607 114.554 0.049 0.000 2.668 279 T HA -0.135 4.215 4.350 -0.001 0.000 0.262 279 T C 1.934 176.688 174.700 0.090 0.000 1.045 279 T CA 1.332 63.473 62.100 0.069 0.000 1.152 279 T CB -0.553 68.353 68.868 0.064 0.000 0.864 279 T HN 0.052 nan 8.240 nan 0.000 0.419 280 V N 1.894 121.850 119.914 0.070 0.000 2.380 280 V HA -0.244 3.875 4.120 -0.001 0.000 0.251 280 V C 2.127 178.283 176.094 0.103 0.000 1.063 280 V CA 2.152 64.497 62.300 0.074 0.000 1.055 280 V CB -0.607 31.223 31.823 0.012 0.000 0.657 280 V HN 0.406 nan 8.190 nan 0.000 0.455 281 D N -0.548 119.900 120.400 0.080 0.000 2.084 281 D HA -0.154 4.485 4.640 -0.001 0.000 0.194 281 D C 2.400 178.794 176.300 0.157 0.000 0.990 281 D CA 1.495 55.561 54.000 0.111 0.000 0.826 281 D CB -0.284 40.558 40.800 0.071 0.000 0.971 281 D HN 0.383 nan 8.370 nan 0.000 0.453 282 R N 0.243 120.817 120.500 0.123 0.000 2.083 282 R HA -0.104 4.236 4.340 -0.001 0.000 0.237 282 R C 2.228 178.625 176.300 0.161 0.000 1.137 282 R CA 1.465 57.638 56.100 0.120 0.000 0.951 282 R CB -0.281 30.078 30.300 0.098 0.000 0.851 282 R HN 0.122 nan 8.270 nan 0.000 0.434 283 A N 0.109 123.047 122.820 0.196 0.000 1.902 283 A HA -0.196 4.123 4.320 -0.001 0.000 0.217 283 A C 1.954 179.691 177.584 0.254 0.000 1.181 283 A CA 1.157 53.361 52.037 0.279 0.000 0.623 283 A CB -0.651 18.532 19.000 0.305 0.000 0.818 283 A HN 0.395 nan 8.150 nan 0.000 0.443 284 F N 1.833 121.797 119.950 0.024 0.000 2.234 284 F HA -0.163 4.363 4.527 -0.001 0.000 0.299 284 F C 2.753 178.550 175.800 -0.005 0.000 1.087 284 F CA 1.518 59.492 58.000 -0.044 0.000 1.340 284 F CB -0.247 38.733 39.000 -0.033 0.000 1.031 284 F HN 0.348 nan 8.300 nan 0.000 0.500 285 S N -0.511 115.238 115.700 0.081 0.000 2.383 285 S HA -0.249 4.220 4.470 -0.001 0.000 0.229 285 S C 1.920 176.490 174.600 -0.050 0.000 1.030 285 S CA 1.207 59.402 58.200 -0.007 0.000 1.002 285 S CB -0.580 62.651 63.200 0.051 0.000 0.829 285 S HN 0.456 nan 8.310 nan 0.000 0.467 286 Q N 0.670 120.495 119.800 0.041 0.000 2.083 286 Q HA 0.084 4.423 4.340 -0.001 0.000 0.198 286 Q C 2.212 178.258 176.000 0.077 0.000 0.969 286 Q CA 1.404 57.272 55.803 0.109 0.000 0.838 286 Q CB -0.549 28.346 28.738 0.262 0.000 0.900 286 Q HN 0.737 nan 8.270 nan 0.000 0.436 287 M N 0.604 120.170 119.600 -0.056 0.000 2.149 287 M HA -0.207 4.273 4.480 -0.001 0.000 0.261 287 M C 1.723 177.829 176.300 -0.323 0.000 1.064 287 M CA 1.546 56.687 55.300 -0.265 0.000 1.102 287 M CB 0.092 32.310 32.600 -0.636 0.000 1.369 287 M HN -0.006 nan 8.290 nan 0.000 0.408 288 K N -0.094 120.044 120.400 -0.438 0.000 2.097 288 K HA -0.054 4.266 4.320 -0.001 0.000 0.205 288 K C 1.938 178.412 176.600 -0.209 0.000 1.050 288 K CA 1.290 57.356 56.287 -0.369 0.000 0.938 288 K CB -0.214 32.065 32.500 -0.368 0.000 0.718 288 K HN 0.442 nan 8.250 nan 0.000 0.442 289 A N 1.254 123.993 122.820 -0.136 0.000 1.930 289 A HA -0.079 4.240 4.320 -0.001 0.000 0.217 289 A C 2.310 179.841 177.584 -0.087 0.000 1.175 289 A CA 1.690 53.675 52.037 -0.088 0.000 0.627 289 A CB -0.586 18.389 19.000 -0.041 0.000 0.815 289 A HN 0.321 nan 8.150 nan 0.000 0.443 290 A N 0.030 122.810 122.820 -0.066 0.000 1.902 290 A HA -0.071 4.249 4.320 -0.001 0.000 0.217 290 A C 2.093 179.590 177.584 -0.144 0.000 1.181 290 A CA 1.514 53.520 52.037 -0.052 0.000 0.623 290 A CB -0.562 18.457 19.000 0.033 0.000 0.818 290 A HN 0.496 nan 8.150 nan 0.000 0.443 291 I N -1.102 119.337 120.570 -0.220 0.000 2.252 291 I HA -0.214 3.955 4.170 -0.001 0.000 0.245 291 I C 2.614 178.475 176.117 -0.427 0.000 1.102 291 I CA 1.558 62.613 61.300 -0.409 0.000 1.385 291 I CB -0.231 37.541 38.000 -0.380 0.000 1.064 291 I HN 0.271 nan 8.210 nan 0.000 0.414 292 R N 1.937 122.278 120.500 -0.265 0.000 2.105 292 R HA -0.123 4.217 4.340 -0.001 0.000 0.239 292 R C 1.912 178.107 176.300 -0.175 0.000 1.135 292 R CA 1.841 57.817 56.100 -0.206 0.000 0.967 292 R CB -0.597 29.616 30.300 -0.145 0.000 0.861 292 R HN 0.356 nan 8.270 nan 0.000 0.442 293 A N -0.358 122.372 122.820 -0.150 0.000 2.238 293 A HA 0.056 4.376 4.320 -0.001 0.000 0.208 293 A C 1.462 178.984 177.584 -0.103 0.000 1.177 293 A CA 0.700 52.677 52.037 -0.101 0.000 0.804 293 A CB -0.462 18.498 19.000 -0.067 0.000 0.823 293 A HN 0.438 nan 8.150 nan 0.000 0.482 294 N N -0.687 117.903 118.700 -0.183 0.000 2.784 294 N HA 0.055 4.794 4.740 -0.001 0.000 0.227 294 N C 0.990 176.444 175.510 -0.093 0.000 1.109 294 N CA 1.384 54.344 53.050 -0.149 0.000 1.184 294 N CB -0.114 38.254 38.487 -0.199 0.000 1.554 294 N HN 0.377 nan 8.380 nan 0.000 0.589 295 Y N -1.306 118.987 120.300 -0.011 0.000 2.481 295 Y HA 0.594 5.143 4.550 -0.001 0.000 0.247 295 Y C 1.318 177.210 175.900 -0.013 0.000 1.151 295 Y CA 0.257 58.353 58.100 -0.007 0.000 1.238 295 Y CB -0.052 38.407 38.460 -0.001 0.000 1.179 295 Y HN 0.177 nan 8.280 nan 0.000 0.524 296 S N 0.382 115.968 115.700 -0.189 0.000 1.480 296 S HA -0.251 4.219 4.470 -0.001 0.000 0.244 296 S C 0.383 174.959 174.600 -0.041 0.000 0.702 296 S CA 1.709 59.840 58.200 -0.115 0.000 1.288 296 S CB -1.802 61.356 63.200 -0.071 0.000 1.411 296 S HN 1.212 nan 8.310 nan 0.000 0.505 297 S N 1.753 117.567 115.700 0.190 0.000 2.570 297 S HA 0.792 5.261 4.470 -0.001 0.000 0.270 297 S C -3.402 171.386 174.600 0.314 0.000 1.149 297 S CA -1.031 57.307 58.200 0.230 0.000 0.837 297 S CB 2.409 65.690 63.200 0.135 0.000 1.124 297 S HN 0.489 nan 8.310 nan 0.000 0.465 298 P HA 0.508 nan 4.420 nan 0.000 0.278 298 P C -2.885 174.388 177.300 -0.046 0.000 1.258 298 P CA -1.839 61.256 63.100 -0.008 0.000 0.811 298 P CB -0.736 30.932 31.700 -0.054 0.000 1.063 299 P HA 0.164 nan 4.420 nan 0.000 0.282 299 P C 0.393 177.635 177.300 -0.098 0.000 1.274 299 P CA -0.084 62.966 63.100 -0.083 0.000 0.770 299 P CB 0.608 32.250 31.700 -0.097 0.000 0.867 300 A N 3.557 126.340 122.820 -0.061 0.000 1.858 300 A HA -0.245 4.075 4.320 -0.001 0.000 0.216 300 A C 2.038 179.568 177.584 -0.090 0.000 1.190 300 A CA 1.896 53.885 52.037 -0.081 0.000 0.617 300 A CB -1.778 17.191 19.000 -0.052 0.000 0.827 300 A HN 0.670 nan 8.150 nan 0.000 0.443 301 H N -0.724 118.279 119.070 -0.112 0.000 2.522 301 H HA -0.222 4.334 4.556 -0.001 0.000 0.289 301 H C 2.209 177.458 175.328 -0.132 0.000 1.070 301 H CA 3.009 58.995 56.048 -0.104 0.000 1.128 301 H CB -0.724 28.991 29.762 -0.079 0.000 1.440 301 H HN 0.366 nan 8.280 nan 0.000 0.651 302 G N -0.819 107.976 108.800 -0.009 0.000 2.450 302 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.220 302 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.220 302 G C 1.768 176.499 174.900 -0.281 0.000 1.130 302 G CA 1.077 46.103 45.100 -0.122 0.000 0.760 302 G HN 0.684 nan 8.290 nan 0.000 0.557 303 A N 0.416 123.040 122.820 -0.326 0.000 1.929 303 A HA 0.145 4.465 4.320 -0.001 0.000 0.216 303 A C 2.673 180.067 177.584 -0.317 0.000 1.176 303 A CA 1.927 53.679 52.037 -0.475 0.000 0.628 303 A CB -0.434 18.123 19.000 -0.739 0.000 0.816 303 A HN 0.281 nan 8.150 nan 0.000 0.444 304 S N -0.331 115.207 115.700 -0.269 0.000 2.368 304 S HA -0.131 4.339 4.470 -0.001 0.000 0.225 304 S C 1.897 176.361 174.600 -0.227 0.000 1.030 304 S CA 1.414 59.492 58.200 -0.204 0.000 0.999 304 S CB -0.389 62.695 63.200 -0.194 0.000 0.844 304 S HN 0.340 nan 8.310 nan 0.000 0.459 305 V N 1.356 121.087 119.914 -0.305 0.000 2.332 305 V HA -0.145 3.975 4.120 -0.001 0.000 0.248 305 V C 2.262 178.154 176.094 -0.338 0.000 1.055 305 V CA 1.494 63.623 62.300 -0.286 0.000 1.038 305 V CB -0.638 31.019 31.823 -0.276 0.000 0.651 305 V HN 0.342 nan 8.190 nan 0.000 0.450 306 V N 0.047 119.669 119.914 -0.487 0.000 2.358 306 V HA -0.190 3.930 4.120 -0.001 0.000 0.246 306 V C 2.638 178.431 176.094 -0.502 0.000 1.047 306 V CA 1.841 63.674 62.300 -0.779 0.000 1.035 306 V CB -0.977 30.183 31.823 -1.105 0.000 0.658 306 V HN 0.554 nan 8.190 nan 0.000 0.452 307 A N -0.425 122.230 122.820 -0.275 0.000 1.898 307 A HA -0.203 4.117 4.320 -0.001 0.000 0.216 307 A C 2.400 179.872 177.584 -0.186 0.000 1.181 307 A CA 2.362 54.290 52.037 -0.181 0.000 0.620 307 A CB -0.954 18.011 19.000 -0.059 0.000 0.819 307 A HN 0.469 nan 8.150 nan 0.000 0.442 308 T N 0.469 114.911 114.554 -0.187 0.000 2.684 308 T HA -0.126 4.223 4.350 -0.001 0.000 0.267 308 T C 1.762 176.338 174.700 -0.207 0.000 1.036 308 T CA 1.652 63.630 62.100 -0.203 0.000 1.148 308 T CB -0.398 68.354 68.868 -0.194 0.000 0.863 308 T HN 0.433 nan 8.240 nan 0.000 0.436 309 I N 0.371 120.825 120.570 -0.194 0.000 2.353 309 I HA -0.055 4.114 4.170 -0.001 0.000 0.248 309 I C 2.132 178.172 176.117 -0.129 0.000 1.119 309 I CA 1.073 62.288 61.300 -0.141 0.000 1.417 309 I CB -0.312 37.623 38.000 -0.108 0.000 1.078 309 I HN 0.221 nan 8.210 nan 0.000 0.421 310 L N 0.316 121.427 121.223 -0.186 0.000 2.240 310 L HA -0.083 4.257 4.340 -0.001 0.000 0.211 310 L C 2.453 179.261 176.870 -0.104 0.000 1.106 310 L CA 1.071 55.820 54.840 -0.151 0.000 0.793 310 L CB -0.282 41.641 42.059 -0.226 0.000 0.927 310 L HN 0.304 nan 8.230 nan 0.000 0.446 311 S N -2.143 113.485 115.700 -0.120 0.000 2.575 311 S HA -0.028 4.441 4.470 -0.001 0.000 0.215 311 S C 0.605 175.150 174.600 -0.091 0.000 0.966 311 S CA -0.384 57.758 58.200 -0.096 0.000 0.911 311 S CB -0.461 62.681 63.200 -0.097 0.000 0.780 311 S HN 0.421 nan 8.310 nan 0.000 0.514 312 N N 0.708 119.349 118.700 -0.099 0.000 2.476 312 N HA 0.306 5.045 4.740 -0.001 0.000 0.257 312 N C -0.456 175.022 175.510 -0.053 0.000 0.970 312 N CA -0.400 52.594 53.050 -0.093 0.000 0.938 312 N CB 1.241 39.644 38.487 -0.142 0.000 1.144 312 N HN -0.174 nan 8.380 nan 0.000 0.500 313 D N 2.430 122.807 120.400 -0.038 0.000 2.158 313 D HA -0.213 4.427 4.640 -0.001 0.000 0.197 313 D C 1.702 177.995 176.300 -0.011 0.000 0.995 313 D CA 1.628 55.617 54.000 -0.018 0.000 0.846 313 D CB -0.022 40.767 40.800 -0.017 0.000 0.941 313 D HN 0.641 nan 8.370 nan 0.000 0.456 314 A N 0.226 123.032 122.820 -0.022 0.000 1.854 314 A HA -0.051 4.268 4.320 -0.001 0.000 0.214 314 A C 2.243 179.824 177.584 -0.004 0.000 1.192 314 A CA 0.777 52.804 52.037 -0.016 0.000 0.611 314 A CB -0.781 18.204 19.000 -0.024 0.000 0.832 314 A HN 0.190 nan 8.150 nan 0.000 0.442 315 L N -0.966 120.248 121.223 -0.015 0.000 2.083 315 L HA -0.179 4.161 4.340 -0.001 0.000 0.209 315 L C 2.778 179.686 176.870 0.064 0.000 1.083 315 L CA 1.755 56.598 54.840 0.005 0.000 0.752 315 L CB -0.427 41.609 42.059 -0.038 0.000 0.899 315 L HN 0.482 nan 8.230 nan 0.000 0.433 316 R N 0.429 120.966 120.500 0.062 0.000 2.096 316 R HA -0.172 4.167 4.340 -0.001 0.000 0.235 316 R C 2.303 178.692 176.300 0.148 0.000 1.127 316 R CA 1.449 57.639 56.100 0.150 0.000 0.968 316 R CB -0.242 30.124 30.300 0.109 0.000 0.861 316 R HN 0.323 nan 8.270 nan 0.000 0.440 317 A N 0.751 123.606 122.820 0.057 0.000 1.902 317 A HA -0.110 4.209 4.320 -0.001 0.000 0.217 317 A C 2.149 179.725 177.584 -0.014 0.000 1.181 317 A CA 1.456 53.498 52.037 0.008 0.000 0.623 317 A CB -0.474 18.521 19.000 -0.008 0.000 0.818 317 A HN 0.380 nan 8.150 nan 0.000 0.443 318 I N -2.320 118.259 120.570 0.014 0.000 2.179 318 I HA -0.265 3.905 4.170 -0.001 0.000 0.242 318 I C 2.416 178.523 176.117 -0.017 0.000 1.088 318 I CA 1.659 62.958 61.300 -0.001 0.000 1.357 318 I CB -0.387 37.625 38.000 0.020 0.000 1.051 318 I HN 0.734 nan 8.210 nan 0.000 0.409 319 W N 2.421 123.638 121.300 -0.137 0.000 2.333 319 W HA -0.230 4.429 4.660 -0.001 0.000 0.316 319 W C 2.334 178.698 176.519 -0.258 0.000 1.215 319 W CA 1.636 58.849 57.345 -0.219 0.000 1.278 319 W CB -0.350 28.954 29.460 -0.259 0.000 1.154 319 W HN 0.063 nan 8.180 nan 0.000 0.486 320 E N -0.320 119.531 120.200 -0.581 0.000 2.267 320 E HA -0.292 4.058 4.350 -0.001 0.000 0.197 320 E C 1.914 178.172 176.600 -0.571 0.000 0.998 320 E CA 1.457 57.374 56.400 -0.805 0.000 0.830 320 E CB -0.203 29.242 29.700 -0.425 0.000 0.751 320 E HN 0.328 nan 8.360 nan 0.000 0.491 321 Q N 1.030 120.604 119.800 -0.377 0.000 2.165 321 Q HA -0.065 4.274 4.340 -0.001 0.000 0.197 321 Q C 1.593 177.419 176.000 -0.290 0.000 0.952 321 Q CA 1.151 56.792 55.803 -0.270 0.000 0.848 321 Q CB 0.148 28.788 28.738 -0.162 0.000 0.931 321 Q HN 0.199 nan 8.270 nan 0.000 0.470 322 E N -0.221 119.797 120.200 -0.304 0.000 2.058 322 E HA -0.210 4.139 4.350 -0.001 0.000 0.194 322 E C 1.827 178.182 176.600 -0.407 0.000 0.997 322 E CA 1.333 57.567 56.400 -0.277 0.000 0.801 322 E CB -0.198 29.380 29.700 -0.204 0.000 0.746 322 E HN 0.275 nan 8.360 nan 0.000 0.450 323 L N 0.742 121.580 121.223 -0.642 0.000 2.046 323 L HA -0.173 4.166 4.340 -0.001 0.000 0.208 323 L C 2.273 178.795 176.870 -0.580 0.000 1.077 323 L CA 1.889 56.278 54.840 -0.751 0.000 0.747 323 L CB -0.654 40.742 42.059 -1.106 0.000 0.896 323 L HN 0.049 nan 8.230 nan 0.000 0.432 324 T N -0.441 113.830 114.554 -0.472 0.000 2.788 324 T HA -0.155 4.194 4.350 -0.001 0.000 0.268 324 T C 1.412 175.972 174.700 -0.234 0.000 1.044 324 T CA 1.463 63.370 62.100 -0.321 0.000 1.139 324 T CB -0.342 68.374 68.868 -0.253 0.000 0.867 324 T HN 0.436 nan 8.240 nan 0.000 0.454 325 D N 1.103 121.368 120.400 -0.224 0.000 2.097 325 D HA -0.024 4.615 4.640 -0.001 0.000 0.195 325 D C 2.150 178.380 176.300 -0.117 0.000 0.989 325 D CA 0.973 54.892 54.000 -0.134 0.000 0.827 325 D CB -0.363 40.377 40.800 -0.100 0.000 0.966 325 D HN 0.384 nan 8.370 nan 0.000 0.456 326 M N 0.338 119.780 119.600 -0.264 0.000 2.082 326 M HA -0.204 4.275 4.480 -0.001 0.000 0.258 326 M C 2.418 178.687 176.300 -0.051 0.000 1.071 326 M CA 1.475 56.571 55.300 -0.340 0.000 1.103 326 M CB -0.410 31.770 32.600 -0.700 0.000 1.307 326 M HN -0.044 nan 8.290 nan 0.000 0.409 327 R N 0.563 120.972 120.500 -0.151 0.000 2.103 327 R HA -0.219 4.121 4.340 -0.001 0.000 0.242 327 R C 2.003 178.321 176.300 0.030 0.000 1.142 327 R CA 2.019 58.105 56.100 -0.024 0.000 0.960 327 R CB -0.227 29.999 30.300 -0.123 0.000 0.858 327 R HN 0.514 nan 8.270 nan 0.000 0.439 328 Q N -0.340 119.454 119.800 -0.009 0.000 2.079 328 Q HA -0.122 4.218 4.340 -0.001 0.000 0.200 328 Q C 2.323 178.357 176.000 0.056 0.000 0.974 328 Q CA 1.265 57.076 55.803 0.014 0.000 0.840 328 Q CB -0.136 28.594 28.738 -0.014 0.000 0.898 328 Q HN 0.285 nan 8.270 nan 0.000 0.430 329 R N 0.652 121.208 120.500 0.093 0.000 2.091 329 R HA -0.154 4.185 4.340 -0.001 0.000 0.238 329 R C 2.139 178.513 176.300 0.123 0.000 1.136 329 R CA 1.217 57.393 56.100 0.127 0.000 0.959 329 R CB -0.291 30.147 30.300 0.229 0.000 0.856 329 R HN 0.307 nan 8.270 nan 0.000 0.437 330 I N 1.078 121.749 120.570 0.169 0.000 2.142 330 I HA -0.331 3.839 4.170 -0.001 0.000 0.240 330 I C 2.327 178.492 176.117 0.079 0.000 1.078 330 I CA 1.512 62.892 61.300 0.134 0.000 1.343 330 I CB -0.311 37.800 38.000 0.185 0.000 1.046 330 I HN 0.297 nan 8.210 nan 0.000 0.405 331 Q N 0.240 120.086 119.800 0.077 0.000 2.291 331 Q HA -0.197 4.142 4.340 -0.001 0.000 0.206 331 Q C 2.200 178.230 176.000 0.051 0.000 0.976 331 Q CA 1.062 56.901 55.803 0.060 0.000 0.875 331 Q CB -0.261 28.509 28.738 0.053 0.000 0.927 331 Q HN 0.523 nan 8.270 nan 0.000 0.450 332 R N 0.017 120.547 120.500 0.049 0.000 2.062 332 R HA 0.025 4.365 4.340 -0.001 0.000 0.226 332 R C 2.238 178.563 176.300 0.042 0.000 1.125 332 R CA 0.987 57.112 56.100 0.041 0.000 0.966 332 R CB -0.037 30.285 30.300 0.038 0.000 0.861 332 R HN 0.186 nan 8.270 nan 0.000 0.433 333 M N 0.397 120.020 119.600 0.037 0.000 2.202 333 M HA -0.163 4.317 4.480 -0.001 0.000 0.262 333 M C 1.941 178.273 176.300 0.053 0.000 1.063 333 M CA 1.531 56.846 55.300 0.025 0.000 1.097 333 M CB -0.755 31.836 32.600 -0.015 0.000 1.382 333 M HN 0.108 nan 8.290 nan 0.000 0.413 334 R N 0.176 120.710 120.500 0.056 0.000 2.075 334 R HA -0.165 4.174 4.340 -0.001 0.000 0.230 334 R C 2.292 178.659 176.300 0.111 0.000 1.140 334 R CA 1.704 57.857 56.100 0.088 0.000 0.928 334 R CB -0.366 29.975 30.300 0.069 0.000 0.834 334 R HN 0.522 nan 8.270 nan 0.000 0.429 335 Q N 0.532 120.373 119.800 0.068 0.000 2.181 335 Q HA -0.194 4.146 4.340 -0.001 0.000 0.205 335 Q C 2.159 178.186 176.000 0.044 0.000 0.980 335 Q CA 1.113 56.944 55.803 0.047 0.000 0.862 335 Q CB -0.396 28.362 28.738 0.032 0.000 0.905 335 Q HN 0.258 nan 8.270 nan 0.000 0.429 336 L N 0.505 121.764 121.223 0.060 0.000 2.083 336 L HA -0.112 4.227 4.340 -0.001 0.000 0.209 336 L C 2.206 179.121 176.870 0.075 0.000 1.083 336 L CA 1.401 56.272 54.840 0.052 0.000 0.752 336 L CB -0.666 41.422 42.059 0.047 0.000 0.899 336 L HN 0.088 nan 8.230 nan 0.000 0.433 337 F N -0.390 119.520 119.950 -0.067 0.000 2.075 337 F HA -0.191 4.336 4.527 -0.001 0.000 0.297 337 F C 2.457 178.186 175.800 -0.119 0.000 1.113 337 F CA 2.091 60.029 58.000 -0.103 0.000 1.218 337 F CB -0.926 38.006 39.000 -0.113 0.000 0.984 337 F HN 0.059 nan 8.300 nan 0.000 0.472 338 V N 0.333 120.130 119.914 -0.196 0.000 2.261 338 V HA -0.309 3.810 4.120 -0.001 0.000 0.246 338 V C 1.963 177.935 176.094 -0.202 0.000 1.047 338 V CA 2.658 64.783 62.300 -0.292 0.000 1.015 338 V CB -1.272 30.460 31.823 -0.151 0.000 0.642 338 V HN 0.500 nan 8.190 nan 0.000 0.446 339 N N 0.506 119.145 118.700 -0.102 0.000 2.037 339 N HA -0.196 4.544 4.740 -0.001 0.000 0.196 339 N C 1.862 177.320 175.510 -0.087 0.000 1.034 339 N CA 2.526 55.535 53.050 -0.069 0.000 0.861 339 N CB -0.567 37.900 38.487 -0.033 0.000 1.039 339 N HN 0.647 nan 8.380 nan 0.000 0.427 340 T N 0.980 115.476 114.554 -0.098 0.000 2.788 340 T HA -0.086 4.264 4.350 -0.001 0.000 0.268 340 T C 1.770 176.379 174.700 -0.152 0.000 1.044 340 T CA 0.566 62.609 62.100 -0.095 0.000 1.139 340 T CB -0.259 68.573 68.868 -0.060 0.000 0.867 340 T HN 0.034 nan 8.240 nan 0.000 0.454 341 L N 1.238 122.295 121.223 -0.277 0.000 1.970 341 L HA -0.100 4.240 4.340 -0.001 0.000 0.212 341 L C 2.674 179.449 176.870 -0.158 0.000 1.071 341 L CA 1.783 56.425 54.840 -0.331 0.000 0.751 341 L CB -1.304 40.394 42.059 -0.602 0.000 0.889 341 L HN 0.192 nan 8.230 nan 0.000 0.432 342 Q N 0.425 120.158 119.800 -0.112 0.000 1.956 342 Q HA -0.280 4.060 4.340 -0.001 0.000 0.208 342 Q C 2.149 178.124 176.000 -0.041 0.000 0.998 342 Q CA 2.364 58.140 55.803 -0.045 0.000 0.855 342 Q CB -0.660 28.059 28.738 -0.032 0.000 0.928 342 Q HN 0.586 nan 8.270 nan 0.000 0.418 343 E N -0.675 119.498 120.200 -0.045 0.000 2.448 343 E HA -0.230 4.120 4.350 -0.001 0.000 0.203 343 E C 1.170 177.748 176.600 -0.035 0.000 1.046 343 E CA 1.119 57.499 56.400 -0.033 0.000 0.871 343 E CB -0.039 29.643 29.700 -0.030 0.000 0.790 343 E HN 0.228 nan 8.360 nan 0.000 0.545 344 K N -1.489 118.881 120.400 -0.050 0.000 2.355 344 K HA 0.147 4.467 4.320 -0.001 0.000 0.198 344 K C 0.859 177.436 176.600 -0.038 0.000 1.039 344 K CA 0.633 56.891 56.287 -0.047 0.000 1.075 344 K CB 0.803 33.262 32.500 -0.068 0.000 0.870 344 K HN 0.228 nan 8.250 nan 0.000 0.540 345 G N -0.260 108.522 108.800 -0.031 0.000 2.624 345 G HA2 -0.147 3.812 3.960 -0.001 0.000 0.190 345 G HA3 -0.147 3.812 3.960 -0.001 0.000 0.190 345 G C 0.087 174.990 174.900 0.004 0.000 1.008 345 G CA -0.292 44.800 45.100 -0.013 0.000 0.731 345 G HN 0.422 nan 8.290 nan 0.000 0.478 346 A N 0.911 123.736 122.820 0.008 0.000 2.630 346 A HA 0.270 4.590 4.320 -0.001 0.000 0.231 346 A C 1.339 178.970 177.584 0.078 0.000 1.023 346 A CA 1.782 53.865 52.037 0.077 0.000 0.773 346 A CB -0.092 19.000 19.000 0.153 0.000 0.923 346 A HN 1.231 nan 8.150 nan 0.000 0.497 347 N N 2.215 120.967 118.700 0.086 0.000 2.182 347 N HA -0.051 4.688 4.740 -0.001 0.000 0.186 347 N C 0.735 176.258 175.510 0.022 0.000 1.036 347 N CA 0.861 53.937 53.050 0.044 0.000 0.850 347 N CB -0.323 38.183 38.487 0.033 0.000 1.010 347 N HN 0.747 nan 8.380 nan 0.000 0.432 348 R N 0.487 120.985 120.500 -0.003 0.000 2.919 348 R HA 0.096 4.436 4.340 -0.001 0.000 0.284 348 R C -0.730 175.478 176.300 -0.153 0.000 1.104 348 R CA -0.045 55.958 56.100 -0.162 0.000 1.207 348 R CB -0.274 29.762 30.300 -0.440 0.000 1.162 348 R HN 0.317 nan 8.270 nan 0.000 0.561 349 D N -0.488 119.780 120.400 -0.220 0.000 2.461 349 D HA 0.175 4.814 4.640 -0.001 0.000 0.240 349 D C -0.678 175.536 176.300 -0.144 0.000 1.094 349 D CA -0.488 53.458 54.000 -0.090 0.000 0.868 349 D CB 0.232 41.030 40.800 -0.002 0.000 1.062 349 D HN 0.360 nan 8.370 nan 0.000 0.530 350 F N 1.863 121.754 119.950 -0.098 0.000 2.693 350 F HA 0.058 4.585 4.527 -0.001 0.000 0.303 350 F C 2.426 177.845 175.800 -0.634 0.000 1.143 350 F CA -0.006 57.730 58.000 -0.440 0.000 1.389 350 F CB -0.049 38.685 39.000 -0.443 0.000 1.060 350 F HN 0.415 nan 8.300 nan 0.000 0.535 351 S N 0.329 115.947 115.700 -0.137 0.000 2.465 351 S HA -0.272 4.197 4.470 -0.001 0.000 0.241 351 S C 1.903 176.470 174.600 -0.055 0.000 1.000 351 S CA 1.109 59.267 58.200 -0.071 0.000 0.964 351 S CB -1.314 61.902 63.200 0.027 0.000 0.763 351 S HN 0.533 nan 8.310 nan 0.000 0.512 352 F N 0.693 120.667 119.950 0.040 0.000 2.451 352 F HA 0.299 4.826 4.527 -0.001 0.000 0.299 352 F C 1.824 177.682 175.800 0.097 0.000 1.101 352 F CA -0.190 57.842 58.000 0.054 0.000 1.436 352 F CB -0.666 38.306 39.000 -0.046 0.000 1.074 352 F HN 0.145 nan 8.300 nan 0.000 0.553 353 I N 0.709 121.012 120.570 -0.445 0.000 2.394 353 I HA -0.223 3.947 4.170 -0.001 0.000 0.251 353 I C 2.242 178.375 176.117 0.026 0.000 1.136 353 I CA 0.915 62.114 61.300 -0.168 0.000 1.425 353 I CB -0.389 37.478 38.000 -0.221 0.000 1.079 353 I HN 0.186 nan 8.210 nan 0.000 0.425 354 I N 1.585 122.163 120.570 0.014 0.000 2.567 354 I HA -0.237 3.933 4.170 -0.001 0.000 0.257 354 I C 2.140 178.309 176.117 0.087 0.000 1.184 354 I CA 1.461 62.794 61.300 0.054 0.000 1.451 354 I CB -0.903 37.121 38.000 0.040 0.000 1.089 354 I HN 0.393 nan 8.210 nan 0.000 0.441 355 K N 0.810 121.283 120.400 0.121 0.000 2.417 355 K HA 0.127 4.446 4.320 -0.001 0.000 0.196 355 K C 0.230 176.926 176.600 0.160 0.000 1.023 355 K CA -0.072 56.299 56.287 0.139 0.000 1.122 355 K CB 0.131 32.721 32.500 0.150 0.000 0.850 355 K HN 0.366 nan 8.250 nan 0.000 0.521 356 Q N 1.214 121.112 119.800 0.163 0.000 2.215 356 Q HA 0.314 4.653 4.340 -0.001 0.000 0.256 356 Q C -0.995 175.083 176.000 0.130 0.000 0.972 356 Q CA -0.712 55.193 55.803 0.168 0.000 0.889 356 Q CB 1.365 30.223 28.738 0.199 0.000 1.281 356 Q HN 0.162 nan 8.270 nan 0.000 0.456 357 N N -0.276 118.501 118.700 0.128 0.000 2.361 357 N HA 0.660 5.399 4.740 -0.001 0.000 0.302 357 N C -0.429 175.105 175.510 0.040 0.000 1.074 357 N CA -0.221 52.892 53.050 0.105 0.000 0.850 357 N CB 1.693 40.266 38.487 0.144 0.000 1.228 357 N HN 0.798 nan 8.380 nan 0.000 0.491 358 G N 0.502 109.307 108.800 0.008 0.000 2.526 358 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.250 358 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.250 358 G C 0.504 175.253 174.900 -0.252 0.000 1.289 358 G CA -0.575 44.426 45.100 -0.165 0.000 0.947 358 G HN 0.467 nan 8.290 nan 0.000 0.517 359 M N -0.534 118.712 119.600 -0.590 0.000 2.296 359 M HA 0.153 4.633 4.480 -0.001 0.000 0.265 359 M C 0.290 176.232 176.300 -0.597 0.000 1.064 359 M CA 1.531 56.429 55.300 -0.670 0.000 1.109 359 M CB -0.155 31.774 32.600 -1.118 0.000 1.396 359 M HN 0.271 nan 8.290 nan 0.000 0.430 360 F N -0.219 119.666 119.950 -0.109 0.000 2.482 360 F HA 0.364 4.890 4.527 -0.001 0.000 0.331 360 F C 0.292 176.102 175.800 0.016 0.000 1.115 360 F CA -1.564 56.409 58.000 -0.045 0.000 0.955 360 F CB 1.022 39.996 39.000 -0.044 0.000 1.136 360 F HN -0.171 nan 8.300 nan 0.000 0.452 361 S N 1.713 117.588 115.700 0.292 0.000 2.509 361 S HA 0.622 5.091 4.470 -0.001 0.000 0.297 361 S C -1.103 173.741 174.600 0.407 0.000 1.118 361 S CA -0.628 57.743 58.200 0.285 0.000 1.074 361 S CB 1.514 64.835 63.200 0.201 0.000 1.038 361 S HN 0.370 nan 8.310 nan 0.000 0.498 362 F N 3.466 123.534 119.950 0.198 0.000 2.335 362 F HA 0.333 4.860 4.527 -0.001 0.000 0.365 362 F C 1.708 177.717 175.800 0.349 0.000 1.122 362 F CA -1.684 56.422 58.000 0.175 0.000 1.151 362 F CB 0.650 39.664 39.000 0.024 0.000 1.282 362 F HN 0.854 nan 8.300 nan 0.000 0.513 363 S N 2.380 118.275 115.700 0.324 0.000 2.447 363 S HA 0.048 4.518 4.470 -0.001 0.000 0.233 363 S C 1.778 176.642 174.600 0.440 0.000 1.006 363 S CA 0.731 59.177 58.200 0.410 0.000 0.957 363 S CB -0.551 62.817 63.200 0.280 0.000 0.773 363 S HN 1.308 nan 8.310 nan 0.000 0.507 364 G N 0.219 109.109 108.800 0.150 0.000 2.159 364 G HA2 -0.194 3.765 3.960 -0.001 0.000 0.256 364 G HA3 -0.194 3.765 3.960 -0.001 0.000 0.256 364 G C -0.159 174.795 174.900 0.090 0.000 0.977 364 G CA 0.208 45.373 45.100 0.109 0.000 0.652 364 G HN 0.474 nan 8.290 nan 0.000 0.531 365 L N 0.895 122.165 121.223 0.078 0.000 2.439 365 L HA 0.670 5.010 4.340 -0.001 0.000 0.261 365 L C 1.226 178.094 176.870 -0.004 0.000 1.153 365 L CA 0.069 54.950 54.840 0.068 0.000 0.808 365 L CB 1.005 43.108 42.059 0.073 0.000 1.126 365 L HN 0.113 nan 8.230 nan 0.000 0.460 366 T N 1.576 116.138 114.554 0.012 0.000 2.913 366 T HA 0.186 4.536 4.350 -0.001 0.000 0.287 366 T C 1.248 175.946 174.700 -0.003 0.000 1.008 366 T CA -0.597 61.503 62.100 -0.001 0.000 1.067 366 T CB 0.797 69.674 68.868 0.014 0.000 0.996 366 T HN 0.584 nan 8.240 nan 0.000 0.513 367 K N 1.962 122.358 120.400 -0.007 0.000 2.160 367 K HA -0.190 4.129 4.320 -0.001 0.000 0.206 367 K C 1.437 178.038 176.600 0.002 0.000 1.047 367 K CA 1.608 57.892 56.287 -0.005 0.000 0.930 367 K CB -0.004 32.494 32.500 -0.003 0.000 0.720 367 K HN 0.487 nan 8.250 nan 0.000 0.450 368 E N 1.273 121.477 120.200 0.008 0.000 2.112 368 E HA -0.088 4.262 4.350 -0.001 0.000 0.190 368 E C 2.115 178.729 176.600 0.025 0.000 0.979 368 E CA 0.882 57.291 56.400 0.014 0.000 0.814 368 E CB 0.070 29.779 29.700 0.015 0.000 0.762 368 E HN 0.328 nan 8.360 nan 0.000 0.460 369 Q N -0.142 119.674 119.800 0.028 0.000 2.123 369 Q HA -0.104 4.235 4.340 -0.001 0.000 0.199 369 Q C 2.344 178.364 176.000 0.034 0.000 0.966 369 Q CA 1.478 57.305 55.803 0.040 0.000 0.845 369 Q CB 0.029 28.793 28.738 0.043 0.000 0.907 369 Q HN 0.350 nan 8.270 nan 0.000 0.439 370 V N -1.045 118.879 119.914 0.016 0.000 2.667 370 V HA -0.134 3.986 4.120 -0.001 0.000 0.252 370 V C 1.860 177.945 176.094 -0.015 0.000 1.065 370 V CA 0.978 63.279 62.300 0.002 0.000 1.083 370 V CB -0.330 31.491 31.823 -0.004 0.000 0.692 370 V HN 0.307 nan 8.190 nan 0.000 0.468 371 L N 0.723 121.941 121.223 -0.008 0.000 2.056 371 L HA -0.039 4.301 4.340 -0.001 0.000 0.207 371 L C 2.742 179.603 176.870 -0.015 0.000 1.078 371 L CA 2.268 57.095 54.840 -0.022 0.000 0.749 371 L CB -1.276 40.777 42.059 -0.009 0.000 0.901 371 L HN 0.400 nan 8.230 nan 0.000 0.433 372 R N -0.898 119.620 120.500 0.029 0.000 2.066 372 R HA -0.124 4.215 4.340 -0.001 0.000 0.232 372 R C 2.392 178.795 176.300 0.173 0.000 1.131 372 R CA 1.202 57.349 56.100 0.080 0.000 0.955 372 R CB -0.199 30.172 30.300 0.120 0.000 0.851 372 R HN 0.318 nan 8.270 nan 0.000 0.432 373 L N 0.218 121.554 121.223 0.187 0.000 2.127 373 L HA -0.210 4.129 4.340 -0.001 0.000 0.211 373 L C 2.712 179.680 176.870 0.163 0.000 1.089 373 L CA 1.458 56.465 54.840 0.277 0.000 0.757 373 L CB -0.328 41.774 42.059 0.072 0.000 0.899 373 L HN 0.216 nan 8.230 nan 0.000 0.434 374 R N 0.237 120.715 120.500 -0.038 0.000 2.055 374 R HA -0.187 4.152 4.340 -0.001 0.000 0.228 374 R C 2.197 178.406 176.300 -0.152 0.000 1.143 374 R CA 1.566 57.514 56.100 -0.255 0.000 0.945 374 R CB -0.174 29.900 30.300 -0.376 0.000 0.841 374 R HN 0.085 nan 8.270 nan 0.000 0.429 375 E N 0.020 120.162 120.200 -0.098 0.000 2.110 375 E HA -0.147 4.202 4.350 -0.001 0.000 0.193 375 E C 1.671 178.203 176.600 -0.113 0.000 0.988 375 E CA 1.657 58.009 56.400 -0.081 0.000 0.804 375 E CB 0.201 29.863 29.700 -0.063 0.000 0.745 375 E HN 0.455 nan 8.360 nan 0.000 0.458 376 E N -1.594 118.510 120.200 -0.160 0.000 2.162 376 E HA 0.005 4.355 4.350 -0.001 0.000 0.193 376 E C 0.679 176.945 176.600 -0.557 0.000 0.953 376 E CA 0.417 56.548 56.400 -0.449 0.000 0.849 376 E CB 0.230 29.464 29.700 -0.776 0.000 0.810 376 E HN 0.278 nan 8.360 nan 0.000 0.470 377 F N -0.902 119.042 119.950 -0.011 0.000 2.682 377 F HA 0.402 4.929 4.527 -0.001 0.000 0.308 377 F C 1.259 177.080 175.800 0.036 0.000 1.093 377 F CA 0.113 58.119 58.000 0.010 0.000 1.244 377 F CB 0.566 39.572 39.000 0.010 0.000 1.052 377 F HN -0.005 nan 8.300 nan 0.000 0.573 378 G N 1.112 110.020 108.800 0.180 0.000 2.179 378 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.257 378 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.257 378 G C -0.120 174.979 174.900 0.332 0.000 1.010 378 G CA 0.246 45.487 45.100 0.236 0.000 0.736 378 G HN 0.232 nan 8.290 nan 0.000 0.513 379 V N 0.809 120.846 119.914 0.205 0.000 2.383 379 V HA 0.482 4.601 4.120 -0.001 0.000 0.275 379 V C -0.082 176.076 176.094 0.107 0.000 1.036 379 V CA -0.810 61.606 62.300 0.193 0.000 0.889 379 V CB 0.807 32.687 31.823 0.095 0.000 0.985 379 V HN 0.227 nan 8.190 nan 0.000 0.459 380 Y N 3.725 124.080 120.300 0.092 0.000 2.353 380 Y HA 0.700 5.250 4.550 -0.001 0.000 0.340 380 Y C 0.500 176.407 175.900 0.011 0.000 0.972 380 Y CA -0.314 57.827 58.100 0.069 0.000 1.157 380 Y CB 1.395 39.907 38.460 0.088 0.000 1.157 380 Y HN 0.736 nan 8.280 nan 0.000 0.495 381 A N 2.419 125.292 122.820 0.088 0.000 2.437 381 A HA 0.864 5.183 4.320 -0.001 0.000 0.292 381 A C -1.228 176.393 177.584 0.061 0.000 1.173 381 A CA -0.809 51.266 52.037 0.064 0.000 0.785 381 A CB 0.975 19.995 19.000 0.034 0.000 1.351 381 A HN 0.405 nan 8.150 nan 0.000 0.431 382 V N 1.034 120.981 119.914 0.055 0.000 2.567 382 V HA 0.424 4.543 4.120 -0.001 0.000 0.289 382 V C 1.715 177.827 176.094 0.030 0.000 1.049 382 V CA 0.443 62.770 62.300 0.044 0.000 0.969 382 V CB 1.194 33.036 31.823 0.032 0.000 0.995 382 V HN 1.298 nan 8.190 nan 0.000 0.471 383 A N 3.428 126.260 122.820 0.020 0.000 2.009 383 A HA -0.196 4.124 4.320 -0.001 0.000 0.222 383 A C 2.185 179.770 177.584 0.002 0.000 1.175 383 A CA 2.490 54.532 52.037 0.008 0.000 0.651 383 A CB -0.676 18.327 19.000 0.005 0.000 0.815 383 A HN 1.073 nan 8.150 nan 0.000 0.459 384 S N -1.933 113.783 115.700 0.027 0.000 2.555 384 S HA 0.322 4.792 4.470 -0.001 0.000 0.230 384 S C 1.445 175.954 174.600 -0.151 0.000 0.978 384 S CA 1.040 59.248 58.200 0.014 0.000 0.934 384 S CB -0.439 62.887 63.200 0.211 0.000 0.766 384 S HN 2.009 nan 8.310 nan 0.000 0.533 385 G N 1.376 110.137 108.800 -0.067 0.000 2.130 385 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.216 385 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.216 385 G C -0.027 174.874 174.900 0.001 0.000 0.999 385 G CA -0.112 44.934 45.100 -0.090 0.000 0.686 385 G HN 0.666 nan 8.290 nan 0.000 0.515 386 R N 0.324 120.908 120.500 0.140 0.000 2.298 386 R HA 0.549 4.889 4.340 -0.001 0.000 0.310 386 R C 0.533 176.926 176.300 0.154 0.000 1.068 386 R CA 0.204 56.459 56.100 0.258 0.000 0.957 386 R CB 0.838 31.234 30.300 0.159 0.000 1.003 386 R HN 0.648 nan 8.270 nan 0.000 0.454 387 V N 1.321 121.342 119.914 0.178 0.000 2.715 387 V HA 0.408 4.527 4.120 -0.001 0.000 0.310 387 V C -0.380 175.827 176.094 0.189 0.000 1.054 387 V CA -1.076 61.286 62.300 0.104 0.000 0.928 387 V CB 1.815 33.616 31.823 -0.037 0.000 1.007 387 V HN 0.864 nan 8.190 nan 0.000 0.437 388 N N 2.157 120.937 118.700 0.133 0.000 2.439 388 N HA 0.312 5.051 4.740 -0.001 0.000 0.243 388 N C 0.757 176.208 175.510 -0.098 0.000 1.088 388 N CA -0.431 52.673 53.050 0.091 0.000 0.940 388 N CB 1.511 40.053 38.487 0.091 0.000 1.180 388 N HN 0.643 nan 8.380 nan 0.000 0.505 389 V N 3.261 123.094 119.914 -0.134 0.000 2.626 389 V HA -0.173 3.946 4.120 -0.001 0.000 0.252 389 V C 2.103 178.110 176.094 -0.145 0.000 1.067 389 V CA 1.852 64.039 62.300 -0.189 0.000 1.081 389 V CB -0.567 31.168 31.823 -0.147 0.000 0.686 389 V HN 0.800 nan 8.190 nan 0.000 0.468 390 A N 0.309 123.067 122.820 -0.104 0.000 2.239 390 A HA 0.155 4.474 4.320 -0.001 0.000 0.209 390 A C 2.047 179.575 177.584 -0.094 0.000 1.171 390 A CA 1.169 53.169 52.037 -0.061 0.000 0.768 390 A CB -0.554 18.474 19.000 0.047 0.000 0.790 390 A HN 0.544 nan 8.150 nan 0.000 0.478 391 G N -1.315 107.377 108.800 -0.180 0.000 3.126 391 G HA2 0.365 4.324 3.960 -0.001 0.000 0.224 391 G HA3 0.365 4.324 3.960 -0.001 0.000 0.224 391 G C 0.468 175.101 174.900 -0.445 0.000 1.142 391 G CA -0.361 44.456 45.100 -0.471 0.000 0.759 391 G HN 0.427 nan 8.290 nan 0.000 0.550 392 M N 2.035 121.470 119.600 -0.276 0.000 2.216 392 M HA 0.420 4.899 4.480 -0.001 0.000 0.356 392 M C 0.176 176.383 176.300 -0.154 0.000 1.205 392 M CA -0.153 55.018 55.300 -0.215 0.000 1.122 392 M CB 1.663 34.140 32.600 -0.204 0.000 1.571 392 M HN 0.103 nan 8.290 nan 0.000 0.464 393 T N -1.118 113.366 114.554 -0.117 0.000 2.901 393 T HA 0.525 4.874 4.350 -0.001 0.000 0.293 393 T C -2.489 172.188 174.700 -0.039 0.000 1.084 393 T CA -1.809 60.249 62.100 -0.071 0.000 1.008 393 T CB 1.802 70.630 68.868 -0.067 0.000 1.170 393 T HN 0.311 nan 8.240 nan 0.000 0.509 394 P HA 0.036 nan 4.420 nan 0.000 0.225 394 P C 0.696 177.993 177.300 -0.005 0.000 1.148 394 P CA 0.820 63.917 63.100 -0.006 0.000 0.779 394 P CB 0.096 31.797 31.700 0.001 0.000 0.780 395 D N -0.875 119.519 120.400 -0.010 0.000 2.271 395 D HA -0.049 4.590 4.640 -0.001 0.000 0.206 395 D C 1.379 177.674 176.300 -0.008 0.000 0.967 395 D CA 0.816 54.812 54.000 -0.006 0.000 0.867 395 D CB -0.218 40.580 40.800 -0.002 0.000 0.960 395 D HN 0.293 nan 8.370 nan 0.000 0.509 396 N N -0.046 118.641 118.700 -0.021 0.000 2.254 396 N HA -0.031 4.708 4.740 -0.001 0.000 0.190 396 N C 1.508 177.008 175.510 -0.016 0.000 1.107 396 N CA 0.101 53.139 53.050 -0.022 0.000 0.869 396 N CB -0.309 38.152 38.487 -0.043 0.000 0.983 396 N HN -0.060 nan 8.380 nan 0.000 0.487 397 M N 0.660 120.254 119.600 -0.010 0.000 2.202 397 M HA 0.117 4.597 4.480 -0.001 0.000 0.262 397 M C 1.763 178.072 176.300 0.014 0.000 1.063 397 M CA 1.184 56.492 55.300 0.014 0.000 1.097 397 M CB -0.312 32.302 32.600 0.024 0.000 1.382 397 M HN 0.322 nan 8.290 nan 0.000 0.413 398 A N 0.667 123.488 122.820 0.003 0.000 1.826 398 A HA 0.001 4.320 4.320 -0.001 0.000 0.214 398 A C -0.330 177.250 177.584 -0.006 0.000 1.212 398 A CA 1.288 53.324 52.037 -0.003 0.000 0.605 398 A CB -2.245 16.755 19.000 -0.000 0.000 0.861 398 A HN 0.438 nan 8.150 nan 0.000 0.447 399 P HA -0.152 nan 4.420 nan 0.000 0.218 399 P C 1.595 178.890 177.300 -0.009 0.000 1.146 399 P CA 1.238 64.344 63.100 0.009 0.000 0.813 399 P CB -0.198 31.519 31.700 0.029 0.000 0.778 400 L N -0.403 120.815 121.223 -0.008 0.000 2.023 400 L HA -0.036 4.304 4.340 -0.001 0.000 0.205 400 L C 2.096 178.945 176.870 -0.035 0.000 1.073 400 L CA 1.938 56.769 54.840 -0.014 0.000 0.745 400 L CB -1.441 40.618 42.059 -0.000 0.000 0.900 400 L HN -0.116 nan 8.230 nan 0.000 0.435 401 C N 0.273 119.560 119.300 -0.021 0.000 2.449 401 C HA -0.043 4.416 4.460 -0.001 0.000 0.283 401 C C 2.530 177.448 174.990 -0.120 0.000 1.453 401 C CA 0.693 59.666 59.018 -0.076 0.000 1.779 401 C CB -1.258 26.423 27.740 -0.097 0.000 1.779 401 C HN 0.617 nan 8.230 nan 0.000 0.546 402 E N 0.815 120.950 120.200 -0.107 0.000 2.086 402 E HA -0.036 4.314 4.350 -0.001 0.000 0.190 402 E C 2.418 178.867 176.600 -0.251 0.000 0.975 402 E CA 0.942 57.267 56.400 -0.125 0.000 0.813 402 E CB -0.145 29.516 29.700 -0.065 0.000 0.768 402 E HN 0.632 nan 8.360 nan 0.000 0.457 403 A N 1.563 124.175 122.820 -0.346 0.000 1.858 403 A HA -0.195 4.124 4.320 -0.001 0.000 0.216 403 A C 2.163 179.361 177.584 -0.643 0.000 1.190 403 A CA 1.141 52.698 52.037 -0.801 0.000 0.617 403 A CB -0.720 17.899 19.000 -0.636 0.000 0.827 403 A HN 0.127 nan 8.150 nan 0.000 0.443 404 I N -0.388 119.984 120.570 -0.329 0.000 2.091 404 I HA -0.217 3.952 4.170 -0.001 0.000 0.239 404 I C 1.467 177.482 176.117 -0.170 0.000 1.061 404 I CA 0.775 61.951 61.300 -0.207 0.000 1.317 404 I CB -0.648 37.260 38.000 -0.153 0.000 1.031 404 I HN 0.128 nan 8.210 nan 0.000 0.401 408 V N -1.143 118.735 119.914 -0.060 0.000 3.644 408 V HA 0.460 4.579 4.120 -0.001 0.000 0.267 408 V C 0.963 177.080 176.094 0.037 0.000 1.277 408 V CA 0.002 62.314 62.300 0.021 0.000 1.096 408 V CB -0.539 31.302 31.823 0.029 0.000 0.828 408 V HN 0.342 nan 8.190 nan 0.000 0.446 409 L N 0.000 121.243 121.223 0.033 0.000 2.949 409 L HA 0.000 4.339 4.340 -0.001 0.000 0.249 409 L CA 0.000 54.877 54.840 0.062 0.000 0.813 409 L CB 0.000 42.109 42.059 0.084 0.000 0.961 409 L HN 0.000 nan 8.230 nan 0.000 0.502