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 1dge_1_A DATA FIRST_RESID 3 DATA SEQUENCE LNDDATFWRN ARHHLVRYGG TFEPMIIERA KGSFVYDADG RAILDFTSGQ DATA SEQUENCE MSAVLGHCHP EIVSVIGEYA GKLDHLFSGM LSRPVVDLAT RLANITPPGL DATA SEQUENCE DRALLLSTGA ESNEAAIRMA KLVTGKYEIV GFAQSWHGMT GAAASATYSA DATA SEQUENCE GRKGVGPAAV GSFAIPAPFT YRPRFERNGA YDYLAELDYA FDLIDRQSSG DATA SEQUENCE NLAAFIAEPI LSSGGIIELP DGYMAALKRK CEARGMLLIL DEAQTGVGRT DATA SEQUENCE GTMFACQRDG VTPDILTLSK TLGAGLPLAA IVTSAAIEER AHELGYLFYT DATA SEQUENCE THVSDPLPAA VGLRVLDVVQ RDGLVARANV MGDRLRRGLL DLMERFDCIG DATA SEQUENCE DVRGRGLLLG VEIVKDRRTK EPADGLGAKI TRECMNLGLS MNIVQLPGMG DATA SEQUENCE GVFRIAPPLT VSEDEIDLGL SLLGQAIERA L 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 3 L HA 0.000 nan 4.340 nan 0.000 0.249 3 L C 0.000 176.887 176.870 0.029 0.000 1.165 3 L CA 0.000 54.852 54.840 0.019 0.000 0.813 3 L CB 0.000 42.075 42.059 0.027 0.000 0.961 4 N N 0.193 118.923 118.700 0.049 0.000 2.494 4 N HA -0.046 4.694 4.740 0.001 0.000 0.182 4 N C 0.478 176.150 175.510 0.270 0.000 1.076 4 N CA 0.541 53.650 53.050 0.099 0.000 0.908 4 N CB 0.289 38.834 38.487 0.097 0.000 0.967 4 N HN 0.469 nan 8.380 nan 0.000 0.449 5 D N 0.962 121.464 120.400 0.169 0.000 2.350 5 D HA -0.122 4.518 4.640 0.001 0.000 0.216 5 D C -0.032 176.447 176.300 0.298 0.000 0.968 5 D CA 0.410 54.515 54.000 0.175 0.000 0.894 5 D CB -0.392 40.446 40.800 0.062 0.000 0.909 5 D HN 0.197 nan 8.370 nan 0.000 0.520 6 D N 0.640 121.192 120.400 0.253 0.000 3.465 6 D HA -0.143 4.497 4.640 0.001 0.000 0.252 6 D C 1.191 177.694 176.300 0.338 0.000 1.399 6 D CA 0.211 54.340 54.000 0.216 0.000 0.946 6 D CB 0.256 41.122 40.800 0.110 0.000 1.183 6 D HN 0.062 nan 8.370 nan 0.000 0.622 7 A N 3.481 126.450 122.820 0.248 0.000 2.024 7 A HA -0.187 4.133 4.320 0.001 0.000 0.220 7 A C 2.223 179.925 177.584 0.196 0.000 1.164 7 A CA 1.819 53.995 52.037 0.233 0.000 0.643 7 A CB -0.285 18.800 19.000 0.141 0.000 0.806 7 A HN 0.611 nan 8.150 nan 0.000 0.451 8 T N -1.150 113.499 114.554 0.160 0.000 2.812 8 T HA -0.043 4.307 4.350 0.001 0.000 0.264 8 T C 1.512 176.266 174.700 0.089 0.000 1.042 8 T CA 1.244 63.412 62.100 0.112 0.000 1.140 8 T CB -0.354 68.569 68.868 0.090 0.000 0.870 8 T HN 0.503 nan 8.240 nan 0.000 0.445 9 F N 0.877 120.790 119.950 -0.061 0.000 2.011 9 F HA -0.189 4.338 4.527 0.001 0.000 0.296 9 F C 1.809 177.448 175.800 -0.269 0.000 1.144 9 F CA 1.565 59.422 58.000 -0.238 0.000 1.185 9 F CB -0.617 38.136 39.000 -0.412 0.000 0.961 9 F HN 0.208 nan 8.300 nan 0.000 0.485 10 W N 0.697 122.133 121.300 0.227 0.000 2.359 10 W HA -0.153 4.507 4.660 0.001 0.000 0.275 10 W C 2.709 179.169 176.519 -0.098 0.000 1.217 10 W CA 1.355 58.739 57.345 0.065 0.000 1.196 10 W CB -0.549 28.996 29.460 0.141 0.000 1.129 10 W HN 0.042 nan 8.180 nan 0.000 0.566 11 R N 0.755 121.291 120.500 0.060 0.000 2.061 11 R HA -0.158 4.182 4.340 0.001 0.000 0.230 11 R C 1.879 178.052 176.300 -0.212 0.000 1.140 11 R CA 1.733 57.773 56.100 -0.100 0.000 0.940 11 R CB -0.680 29.616 30.300 -0.007 0.000 0.839 11 R HN 0.084 nan 8.270 nan 0.000 0.429 12 N N 0.585 119.222 118.700 -0.106 0.000 2.205 12 N HA -0.153 4.587 4.740 0.001 0.000 0.186 12 N C 1.428 176.860 175.510 -0.130 0.000 1.015 12 N CA 1.489 54.521 53.050 -0.030 0.000 0.862 12 N CB -0.251 38.202 38.487 -0.056 0.000 0.986 12 N HN 0.339 nan 8.380 nan 0.000 0.429 13 A N 0.345 122.986 122.820 -0.299 0.000 1.970 13 A HA 0.020 4.341 4.320 0.001 0.000 0.216 13 A C 2.244 179.789 177.584 -0.065 0.000 1.170 13 A CA 0.699 52.576 52.037 -0.267 0.000 0.645 13 A CB -0.180 18.551 19.000 -0.449 0.000 0.816 13 A HN 0.137 nan 8.150 nan 0.000 0.447 14 R N -1.558 118.892 120.500 -0.084 0.000 2.153 14 R HA -0.026 4.314 4.340 0.001 0.000 0.218 14 R C 1.605 177.832 176.300 -0.122 0.000 1.072 14 R CA 1.203 57.259 56.100 -0.073 0.000 0.990 14 R CB -0.187 30.034 30.300 -0.132 0.000 0.889 14 R HN 0.776 nan 8.270 nan 0.000 0.452 15 H N -2.375 116.578 119.070 -0.195 0.000 2.547 15 H HA 0.086 4.643 4.556 0.001 0.000 0.272 15 H C 0.812 175.832 175.328 -0.513 0.000 0.971 15 H CA 0.461 56.262 56.048 -0.411 0.000 1.245 15 H CB 0.556 29.866 29.762 -0.754 0.000 1.440 15 H HN 0.221 nan 8.280 nan 0.000 0.540 16 H N -0.784 118.359 119.070 0.121 0.000 3.058 16 H HA 0.237 4.794 4.556 0.001 0.000 0.266 16 H C -0.187 175.175 175.328 0.056 0.000 1.135 16 H CA 0.027 56.115 56.048 0.067 0.000 1.174 16 H CB 1.169 30.947 29.762 0.026 0.000 1.581 16 H HN 0.133 nan 8.280 nan 0.000 0.553 17 L N 1.492 122.811 121.223 0.160 0.000 2.322 17 L HA 0.354 4.694 4.340 0.001 0.000 0.279 17 L C 0.183 177.184 176.870 0.218 0.000 1.036 17 L CA -0.882 54.068 54.840 0.183 0.000 0.807 17 L CB 2.448 44.618 42.059 0.184 0.000 1.226 17 L HN -0.217 nan 8.230 nan 0.000 0.433 18 V N 3.218 123.277 119.914 0.242 0.000 2.546 18 V HA 0.253 4.374 4.120 0.001 0.000 0.284 18 V C 0.373 176.627 176.094 0.267 0.000 1.050 18 V CA -0.453 61.978 62.300 0.218 0.000 0.981 18 V CB 1.406 33.353 31.823 0.207 0.000 0.990 18 V HN 0.665 nan 8.190 nan 0.000 0.474 19 R N 3.748 124.319 120.500 0.118 0.000 2.265 19 R HA 0.261 4.601 4.340 0.001 0.000 0.314 19 R C -0.144 176.138 176.300 -0.030 0.000 1.053 19 R CA -0.129 55.923 56.100 -0.080 0.000 0.931 19 R CB 0.416 30.616 30.300 -0.166 0.000 1.024 19 R HN 0.848 nan 8.270 nan 0.000 0.457 20 Y N -0.299 119.995 120.300 -0.009 0.000 2.531 20 Y HA 0.535 5.086 4.550 0.001 0.000 0.249 20 Y C 0.467 176.364 175.900 -0.005 0.000 1.168 20 Y CA -0.488 57.624 58.100 0.021 0.000 1.226 20 Y CB 0.812 39.317 38.460 0.075 0.000 1.177 20 Y HN 0.642 nan 8.280 nan 0.000 0.527 21 G N -0.656 108.008 108.800 -0.227 0.000 2.435 21 G HA2 0.455 4.416 3.960 0.001 0.000 0.603 21 G HA3 0.455 4.416 3.960 0.001 0.000 0.603 21 G C -0.096 174.647 174.900 -0.263 0.000 1.496 21 G CA -0.440 44.574 45.100 -0.143 0.000 0.896 21 G HN 1.216 nan 8.290 nan 0.000 0.657 22 G N -0.409 108.274 108.800 -0.195 0.000 2.512 22 G HA2 0.434 4.395 3.960 0.001 0.000 0.254 22 G HA3 0.434 4.395 3.960 0.001 0.000 0.254 22 G C 0.636 175.367 174.900 -0.282 0.000 1.199 22 G CA 1.339 46.324 45.100 -0.193 0.000 0.941 22 G HN 3.064 nan 8.290 nan 0.000 0.569 23 T N -1.896 112.494 114.554 -0.273 0.000 3.435 23 T HA 0.546 4.896 4.350 0.001 0.000 0.344 23 T C -0.472 174.146 174.700 -0.135 0.000 1.211 23 T CA -0.306 61.618 62.100 -0.293 0.000 1.104 23 T CB 0.576 69.355 68.868 -0.147 0.000 1.196 23 T HN 1.264 nan 8.240 nan 0.000 0.471 24 F N 2.534 122.491 119.950 0.011 0.000 2.602 24 F HA 0.397 4.925 4.527 0.001 0.000 0.367 24 F C 1.291 177.161 175.800 0.117 0.000 1.126 24 F CA -0.189 57.873 58.000 0.103 0.000 1.321 24 F CB 0.155 39.284 39.000 0.215 0.000 1.094 24 F HN 0.619 nan 8.300 nan 0.000 0.594 25 E N 4.374 124.791 120.200 0.362 0.000 2.398 25 E HA 0.123 4.474 4.350 0.001 0.000 0.263 25 E C -2.152 174.605 176.600 0.263 0.000 1.046 25 E CA -1.759 54.779 56.400 0.229 0.000 0.908 25 E CB 0.281 30.101 29.700 0.199 0.000 0.963 25 E HN 0.124 nan 8.360 nan 0.000 0.431 26 P HA 0.174 nan 4.420 nan 0.000 0.214 26 P C -1.021 176.327 177.300 0.079 0.000 1.849 26 P CA 0.055 63.105 63.100 -0.084 0.000 1.022 26 P CB -0.557 31.036 31.700 -0.178 0.000 1.912 27 M N -0.460 119.362 119.600 0.369 0.000 2.833 27 M HA 0.527 5.008 4.480 0.001 0.000 0.270 27 M C -1.695 174.748 176.300 0.238 0.000 1.209 27 M CA -1.147 54.324 55.300 0.285 0.000 0.826 27 M CB 1.830 34.505 32.600 0.125 0.000 1.657 27 M HN -0.306 nan 8.290 nan 0.000 0.492 28 I N 2.765 123.334 120.570 -0.003 0.000 2.382 28 I HA 0.374 4.544 4.170 0.001 0.000 0.286 28 I C -0.823 175.225 176.117 -0.115 0.000 1.002 28 I CA -0.952 60.198 61.300 -0.249 0.000 1.135 28 I CB 1.649 39.289 38.000 -0.600 0.000 1.288 28 I HN 0.517 nan 8.210 nan 0.000 0.448 29 I N 5.806 126.338 120.570 -0.063 0.000 2.396 29 I HA 0.082 4.252 4.170 0.001 0.000 0.289 29 I C 1.106 177.207 176.117 -0.026 0.000 1.056 29 I CA 0.375 61.664 61.300 -0.019 0.000 1.365 29 I CB 0.800 38.800 38.000 -0.001 0.000 1.407 29 I HN 0.652 nan 8.210 nan 0.000 0.509 30 E N 5.791 125.992 120.200 0.002 0.000 2.201 30 E HA 0.112 4.463 4.350 0.001 0.000 0.193 30 E C 0.325 176.946 176.600 0.035 0.000 0.957 30 E CA 0.588 56.989 56.400 0.002 0.000 0.858 30 E CB 0.577 30.274 29.700 -0.005 0.000 0.816 30 E HN 0.655 nan 8.360 nan 0.000 0.475 31 R N -1.512 119.043 120.500 0.092 0.000 2.692 31 R HA 0.777 5.117 4.340 0.001 0.000 0.269 31 R C -1.723 174.696 176.300 0.199 0.000 1.030 31 R CA -0.737 55.430 56.100 0.111 0.000 0.882 31 R CB 1.132 31.477 30.300 0.074 0.000 1.250 31 R HN -0.024 nan 8.270 nan 0.000 0.465 32 A N 1.489 124.390 122.820 0.135 0.000 2.475 32 A HA 0.771 5.092 4.320 0.001 0.000 0.301 32 A C -1.450 176.237 177.584 0.171 0.000 1.059 32 A CA -0.746 51.325 52.037 0.057 0.000 0.710 32 A CB 2.161 20.979 19.000 -0.303 0.000 1.288 32 A HN 0.838 nan 8.150 nan 0.000 0.408 33 K N 1.192 121.735 120.400 0.239 0.000 2.569 33 K HA 0.542 4.863 4.320 0.001 0.000 0.259 33 K C 0.488 177.275 176.600 0.312 0.000 0.932 33 K CA 0.497 56.954 56.287 0.284 0.000 0.833 33 K CB 1.294 33.966 32.500 0.286 0.000 1.340 33 K HN 2.452 nan 8.250 nan 0.000 0.429 34 G N 2.010 110.970 108.800 0.267 0.000 2.622 34 G HA2 -0.339 3.622 3.960 0.001 0.000 0.307 34 G HA3 -0.339 3.622 3.960 0.001 0.000 0.307 34 G C 0.331 175.354 174.900 0.205 0.000 1.226 34 G CA 0.434 45.665 45.100 0.219 0.000 0.997 34 G HN 0.802 nan 8.290 nan 0.000 0.551 35 S N 0.676 116.402 115.700 0.044 0.000 2.660 35 S HA 0.549 5.019 4.470 0.001 0.000 0.227 35 S C -0.130 174.178 174.600 -0.486 0.000 0.948 35 S CA 0.381 58.465 58.200 -0.194 0.000 0.948 35 S CB -0.138 62.846 63.200 -0.360 0.000 0.779 35 S HN 0.429 nan 8.310 nan 0.000 0.487 36 F N 0.998 120.951 119.950 0.004 0.000 2.588 36 F HA 0.625 5.152 4.527 0.000 0.000 0.314 36 F C -0.194 175.334 175.800 -0.453 0.000 1.069 36 F CA -1.402 56.448 58.000 -0.250 0.000 0.931 36 F CB 1.631 40.367 39.000 -0.440 0.000 1.260 36 F HN -0.100 nan 8.300 nan 0.000 0.465 37 V N -0.545 119.159 119.914 -0.350 0.000 2.628 37 V HA 0.650 4.770 4.120 0.001 0.000 0.306 37 V C -1.706 174.047 176.094 -0.570 0.000 1.045 37 V CA -1.055 61.007 62.300 -0.396 0.000 0.905 37 V CB 1.575 33.245 31.823 -0.256 0.000 0.997 37 V HN 0.634 nan 8.190 nan 0.000 0.436 38 Y N 2.313 122.607 120.300 -0.010 0.000 2.364 38 Y HA 0.601 5.152 4.550 0.001 0.000 0.340 38 Y C 0.333 176.218 175.900 -0.025 0.000 0.975 38 Y CA -0.811 57.281 58.100 -0.014 0.000 1.089 38 Y CB 1.428 39.871 38.460 -0.029 0.000 1.192 38 Y HN 0.975 nan 8.280 nan 0.000 0.454 39 D N 1.058 121.522 120.400 0.108 0.000 2.398 39 D HA 0.258 4.898 4.640 0.001 0.000 0.264 39 D C 1.221 177.544 176.300 0.039 0.000 1.263 39 D CA -0.107 53.924 54.000 0.051 0.000 1.037 39 D CB 0.418 41.236 40.800 0.031 0.000 1.101 39 D HN 0.518 nan 8.370 nan 0.000 0.551 40 A N -0.574 122.241 122.820 -0.008 0.000 1.972 40 A HA -0.161 4.159 4.320 0.001 0.000 0.219 40 A C 1.583 179.161 177.584 -0.009 0.000 1.169 40 A CA 1.512 53.530 52.037 -0.031 0.000 0.635 40 A CB -0.653 18.306 19.000 -0.069 0.000 0.810 40 A HN 0.554 nan 8.150 nan 0.000 0.446 41 D N -1.458 118.946 120.400 0.006 0.000 2.349 41 D HA 0.208 4.849 4.640 0.001 0.000 0.224 41 D C 1.462 177.769 176.300 0.013 0.000 1.029 41 D CA 1.162 55.166 54.000 0.007 0.000 0.879 41 D CB 0.154 40.959 40.800 0.009 0.000 0.906 41 D HN 0.606 nan 8.370 nan 0.000 0.528 42 G N 1.441 110.263 108.800 0.036 0.000 2.175 42 G HA2 -0.320 3.640 3.960 0.001 0.000 0.244 42 G HA3 -0.320 3.640 3.960 0.001 0.000 0.244 42 G C 0.554 175.530 174.900 0.128 0.000 0.982 42 G CA -0.019 45.105 45.100 0.041 0.000 0.641 42 G HN 0.386 nan 8.290 nan 0.000 0.527 43 R N 1.079 121.643 120.500 0.106 0.000 2.484 43 R HA 0.531 4.871 4.340 0.001 0.000 0.293 43 R C 0.680 177.051 176.300 0.119 0.000 1.023 43 R CA 0.567 56.720 56.100 0.089 0.000 1.037 43 R CB 0.188 30.509 30.300 0.036 0.000 0.951 43 R HN 0.630 nan 8.270 nan 0.000 0.418 44 A N 5.870 128.726 122.820 0.060 0.000 2.289 44 A HA 0.402 4.722 4.320 0.001 0.000 0.298 44 A C -0.445 177.092 177.584 -0.079 0.000 1.208 44 A CA -0.628 51.300 52.037 -0.181 0.000 0.845 44 A CB 0.439 19.243 19.000 -0.327 0.000 1.125 44 A HN 0.740 nan 8.150 nan 0.000 0.517 45 I N 2.676 123.202 120.570 -0.072 0.000 2.362 45 I HA 0.214 4.384 4.170 0.001 0.000 0.289 45 I C -0.219 175.959 176.117 0.100 0.000 0.994 45 I CA -0.520 60.791 61.300 0.018 0.000 1.158 45 I CB 1.754 39.733 38.000 -0.035 0.000 1.315 45 I HN 0.646 nan 8.210 nan 0.000 0.451 46 L N 6.591 127.864 121.223 0.083 0.000 2.456 46 L HA 0.182 4.522 4.340 0.001 0.000 0.277 46 L C 0.273 177.033 176.870 -0.183 0.000 1.124 46 L CA 0.326 55.032 54.840 -0.224 0.000 0.880 46 L CB 0.028 41.920 42.059 -0.278 0.000 1.192 46 L HN 0.469 nan 8.230 nan 0.000 0.463 47 D N 4.651 124.958 120.400 -0.155 0.000 2.489 47 D HA -0.047 4.593 4.640 0.001 0.000 0.237 47 D C 0.405 176.802 176.300 0.162 0.000 1.212 47 D CA 0.147 54.163 54.000 0.028 0.000 1.058 47 D CB -0.025 40.841 40.800 0.109 0.000 1.098 47 D HN 0.451 nan 8.370 nan 0.000 0.509 48 F N 1.080 120.981 119.950 -0.081 0.000 2.725 48 F HA 0.033 4.560 4.527 0.000 0.000 0.303 48 F C 1.990 177.766 175.800 -0.040 0.000 1.167 48 F CA 0.303 58.260 58.000 -0.073 0.000 1.403 48 F CB -0.177 38.776 39.000 -0.079 0.000 1.077 48 F HN 0.275 nan 8.300 nan 0.000 0.537 49 T N -5.733 108.884 114.554 0.106 0.000 3.144 49 T HA 0.136 4.486 4.350 0.001 0.000 0.290 49 T C 0.812 175.519 174.700 0.012 0.000 0.966 49 T CA 0.389 62.513 62.100 0.041 0.000 0.907 49 T CB -0.250 68.653 68.868 0.060 0.000 1.152 49 T HN -0.104 nan 8.240 nan 0.000 0.532 50 S N 0.948 116.652 115.700 0.008 0.000 3.581 50 S HA -0.020 4.450 4.470 0.001 0.000 0.354 50 S C 1.544 176.130 174.600 -0.023 0.000 1.059 50 S CA 1.189 59.364 58.200 -0.041 0.000 1.060 50 S CB -1.866 61.288 63.200 -0.075 0.000 0.908 50 S HN 1.964 nan 8.310 nan 0.000 0.475 51 G N 0.832 109.672 108.800 0.067 0.000 2.588 51 G HA2 -0.347 3.614 3.960 0.001 0.000 0.273 51 G HA3 -0.347 3.614 3.960 0.001 0.000 0.273 51 G C -0.156 174.783 174.900 0.065 0.000 1.211 51 G CA 0.600 45.762 45.100 0.104 0.000 0.958 51 G HN 0.850 nan 8.290 nan 0.000 0.543 52 Q N 1.492 121.321 119.800 0.049 0.000 2.936 52 Q HA 0.586 4.927 4.340 0.001 0.000 0.383 52 Q C 1.106 177.114 176.000 0.013 0.000 1.167 52 Q CA 0.505 56.328 55.803 0.034 0.000 1.038 52 Q CB -0.776 27.990 28.738 0.047 0.000 1.409 52 Q HN 0.869 nan 8.270 nan 0.000 0.448 53 M N -1.024 118.577 119.600 0.000 0.000 2.302 53 M HA -0.281 4.199 4.480 0.001 0.000 0.200 53 M C -0.391 175.900 176.300 -0.014 0.000 0.366 53 M CA 0.967 56.259 55.300 -0.014 0.000 0.440 53 M CB -3.046 29.545 32.600 -0.015 0.000 1.475 53 M HN 0.330 nan 8.290 nan 0.000 0.905 54 S N -0.523 115.162 115.700 -0.025 0.000 2.930 54 S HA 0.386 4.857 4.470 0.001 0.000 0.253 54 S C 1.201 175.762 174.600 -0.065 0.000 1.083 54 S CA 0.341 58.523 58.200 -0.030 0.000 0.836 54 S CB 0.627 63.819 63.200 -0.012 0.000 0.814 54 S HN 0.761 nan 8.310 nan 0.000 0.467 55 A N 2.287 125.038 122.820 -0.114 0.000 3.110 55 A HA 0.260 4.580 4.320 0.001 0.000 0.265 55 A C 1.393 178.893 177.584 -0.140 0.000 1.962 55 A CA 0.045 51.972 52.037 -0.182 0.000 1.493 55 A CB -1.119 17.635 19.000 -0.410 0.000 0.941 55 A HN 0.247 nan 8.150 nan 0.000 0.610 56 V N 0.442 120.297 119.914 -0.099 0.000 2.469 56 V HA -0.210 3.910 4.120 0.001 0.000 0.251 56 V C 1.912 177.958 176.094 -0.081 0.000 1.064 56 V CA 2.163 64.412 62.300 -0.086 0.000 1.066 56 V CB -0.233 31.544 31.823 -0.076 0.000 0.667 56 V HN 0.815 nan 8.190 nan 0.000 0.461 57 L N -1.015 120.156 121.223 -0.086 0.000 2.728 57 L HA 0.468 4.809 4.340 0.001 0.000 0.238 57 L C 0.987 177.884 176.870 0.045 0.000 1.143 57 L CA 0.485 55.292 54.840 -0.056 0.000 0.937 57 L CB -0.244 41.692 42.059 -0.206 0.000 1.225 57 L HN 0.498 nan 8.230 nan 0.000 0.507 58 G N 0.112 108.887 108.800 -0.041 0.000 2.698 58 G HA2 -0.186 3.774 3.960 0.001 0.000 0.225 58 G HA3 -0.186 3.774 3.960 0.001 0.000 0.225 58 G C -0.637 174.213 174.900 -0.084 0.000 1.345 58 G CA -0.814 44.257 45.100 -0.049 0.000 0.871 58 G HN 0.268 nan 8.290 nan 0.000 0.540 59 H N -0.820 118.300 119.070 0.083 0.000 2.489 59 H HA 0.405 4.961 4.556 0.000 0.000 0.322 59 H C 0.983 176.376 175.328 0.108 0.000 1.091 59 H CA 0.627 56.728 56.048 0.089 0.000 1.291 59 H CB 0.822 30.635 29.762 0.086 0.000 1.436 59 H HN 1.326 nan 8.280 nan 0.000 0.480 60 C N 2.874 122.302 119.300 0.214 0.000 4.533 60 C HA -0.179 4.282 4.460 0.001 0.000 0.304 60 C C 0.917 176.000 174.990 0.153 0.000 1.316 60 C CA 0.054 59.171 59.018 0.166 0.000 2.053 60 C CB -3.023 24.807 27.740 0.150 0.000 1.242 60 C HN 0.810 nan 8.230 nan 0.000 0.758 61 H N 2.479 121.588 119.070 0.065 0.000 2.955 61 H HA 0.141 4.697 4.556 0.001 0.000 0.290 61 H C -0.807 174.549 175.328 0.046 0.000 1.047 61 H CA -0.648 55.430 56.048 0.050 0.000 1.484 61 H CB 1.230 31.009 29.762 0.029 0.000 1.501 61 H HN 0.249 nan 8.280 nan 0.000 0.521 62 P HA -0.248 nan 4.420 nan 0.000 0.219 62 P C 0.944 178.328 177.300 0.140 0.000 1.151 62 P CA 1.439 64.549 63.100 0.016 0.000 0.850 62 P CB 0.373 32.028 31.700 -0.074 0.000 0.784 63 E N -0.982 119.421 120.200 0.338 0.000 2.152 63 E HA -0.059 4.291 4.350 0.001 0.000 0.192 63 E C 2.007 178.706 176.600 0.165 0.000 0.983 63 E CA 0.764 57.307 56.400 0.239 0.000 0.818 63 E CB -0.370 29.467 29.700 0.228 0.000 0.758 63 E HN 0.291 nan 8.360 nan 0.000 0.467 64 I N 1.041 121.721 120.570 0.183 0.000 2.546 64 I HA -0.133 4.038 4.170 0.001 0.000 0.255 64 I C 2.416 178.594 176.117 0.102 0.000 1.163 64 I CA 0.634 61.995 61.300 0.101 0.000 1.457 64 I CB -1.022 37.024 38.000 0.077 0.000 1.092 64 I HN -0.087 nan 8.210 nan 0.000 0.434 65 V N 0.792 120.774 119.914 0.114 0.000 2.379 65 V HA -0.181 3.939 4.120 0.001 0.000 0.245 65 V C 2.552 178.698 176.094 0.086 0.000 1.044 65 V CA 1.671 64.025 62.300 0.090 0.000 1.036 65 V CB -0.658 31.211 31.823 0.077 0.000 0.664 65 V HN 0.366 nan 8.190 nan 0.000 0.453 66 S N -0.001 115.753 115.700 0.090 0.000 2.344 66 S HA -0.222 4.248 4.470 0.001 0.000 0.217 66 S C 2.051 176.718 174.600 0.112 0.000 1.033 66 S CA 1.563 59.814 58.200 0.084 0.000 1.017 66 S CB -0.659 62.590 63.200 0.082 0.000 0.941 66 S HN 0.322 nan 8.310 nan 0.000 0.430 67 V N 2.588 122.584 119.914 0.135 0.000 2.317 67 V HA -0.218 3.902 4.120 0.001 0.000 0.251 67 V C 1.974 178.215 176.094 0.246 0.000 1.065 67 V CA 1.814 64.237 62.300 0.205 0.000 1.049 67 V CB -0.597 31.312 31.823 0.143 0.000 0.651 67 V HN 0.497 nan 8.190 nan 0.000 0.450 68 I N -0.155 120.504 120.570 0.149 0.000 2.394 68 I HA -0.107 4.064 4.170 0.001 0.000 0.251 68 I C 2.433 178.634 176.117 0.140 0.000 1.136 68 I CA 1.275 62.657 61.300 0.136 0.000 1.425 68 I CB -1.009 37.043 38.000 0.087 0.000 1.079 68 I HN 0.442 nan 8.210 nan 0.000 0.425 69 G N 0.590 109.458 108.800 0.112 0.000 2.464 69 G HA2 -0.199 3.762 3.960 0.001 0.000 0.214 69 G HA3 -0.199 3.762 3.960 0.001 0.000 0.214 69 G C 1.455 176.385 174.900 0.049 0.000 1.218 69 G CA 0.347 45.491 45.100 0.072 0.000 0.794 69 G HN 0.337 nan 8.290 nan 0.000 0.542 70 E N -0.586 119.633 120.200 0.032 0.000 2.187 70 E HA -0.201 4.150 4.350 0.001 0.000 0.199 70 E C 2.072 178.486 176.600 -0.309 0.000 1.004 70 E CA 1.298 57.619 56.400 -0.131 0.000 0.813 70 E CB -0.181 29.405 29.700 -0.191 0.000 0.736 70 E HN 0.670 nan 8.360 nan 0.000 0.468 71 Y N -0.998 119.318 120.300 0.026 0.000 2.503 71 Y HA 0.162 4.714 4.550 0.002 0.000 0.277 71 Y C 2.141 178.060 175.900 0.032 0.000 1.102 71 Y CA 0.446 58.563 58.100 0.029 0.000 1.261 71 Y CB -0.024 38.454 38.460 0.029 0.000 1.096 71 Y HN 0.007 nan 8.280 nan 0.000 0.546 72 A N 0.081 122.993 122.820 0.154 0.000 1.940 72 A HA -0.132 4.189 4.320 0.001 0.000 0.219 72 A C 2.356 179.980 177.584 0.067 0.000 1.176 72 A CA 1.927 54.028 52.037 0.106 0.000 0.631 72 A CB -1.262 17.786 19.000 0.080 0.000 0.814 72 A HN 0.432 nan 8.150 nan 0.000 0.446 73 G N -1.728 107.090 108.800 0.031 0.000 3.042 73 G HA2 0.157 4.117 3.960 0.001 0.000 0.212 73 G HA3 0.157 4.117 3.960 0.001 0.000 0.212 73 G C 1.259 176.155 174.900 -0.008 0.000 1.166 73 G CA 0.764 45.870 45.100 0.011 0.000 0.767 73 G HN 0.531 nan 8.290 nan 0.000 0.546 74 K N -0.811 119.575 120.400 -0.023 0.000 2.313 74 K HA 0.426 4.746 4.320 0.001 0.000 0.215 74 K C -0.165 176.451 176.600 0.026 0.000 1.109 74 K CA -0.063 56.195 56.287 -0.048 0.000 0.895 74 K CB 0.295 32.676 32.500 -0.198 0.000 1.234 74 K HN 0.126 nan 8.250 nan 0.000 0.463 75 L N 2.253 123.538 121.223 0.104 0.000 2.446 75 L HA 0.199 4.539 4.340 0.001 0.000 0.268 75 L C -0.757 176.231 176.870 0.196 0.000 0.975 75 L CA -0.548 54.391 54.840 0.165 0.000 0.848 75 L CB 1.783 43.983 42.059 0.236 0.000 1.225 75 L HN 0.409 nan 8.230 nan 0.000 0.410 76 D N 0.851 121.345 120.400 0.157 0.000 3.032 76 D HA 0.032 4.672 4.640 0.001 0.000 0.280 76 D C 0.268 176.691 176.300 0.206 0.000 1.381 76 D CA 0.535 54.639 54.000 0.172 0.000 1.068 76 D CB 0.193 41.086 40.800 0.155 0.000 1.148 76 D HN 0.467 nan 8.370 nan 0.000 0.401 77 H N -0.667 118.460 119.070 0.095 0.000 2.679 77 H HA 0.671 5.228 4.556 0.000 0.000 0.360 77 H C -1.397 173.984 175.328 0.087 0.000 1.105 77 H CA -0.815 55.293 56.048 0.100 0.000 1.196 77 H CB 1.400 31.238 29.762 0.127 0.000 1.636 77 H HN 0.057 nan 8.280 nan 0.000 0.531 78 L N 3.562 124.500 121.223 -0.475 0.000 2.309 78 L HA 0.363 4.703 4.340 0.001 0.000 0.261 78 L C -0.483 176.171 176.870 -0.359 0.000 1.021 78 L CA -1.411 53.258 54.840 -0.285 0.000 0.823 78 L CB 1.531 43.537 42.059 -0.089 0.000 1.366 78 L HN 0.565 nan 8.230 nan 0.000 0.423 79 F N 0.418 120.228 119.950 -0.233 0.000 2.572 79 F HA -0.015 4.512 4.527 0.000 0.000 0.370 79 F C 1.445 177.157 175.800 -0.147 0.000 1.103 79 F CA 0.125 58.040 58.000 -0.141 0.000 1.286 79 F CB 0.909 39.885 39.000 -0.040 0.000 1.105 79 F HN 0.487 nan 8.300 nan 0.000 0.583 80 S N 3.443 118.595 115.700 -0.915 0.000 2.512 80 S HA -0.141 4.330 4.470 0.001 0.000 0.253 80 S C 1.789 175.952 174.600 -0.728 0.000 0.984 80 S CA 1.229 58.896 58.200 -0.888 0.000 0.962 80 S CB -0.562 61.994 63.200 -1.073 0.000 0.747 80 S HN 0.936 nan 8.310 nan 0.000 0.525 81 G N -0.274 108.072 108.800 -0.757 0.000 3.062 81 G HA2 0.344 4.304 3.960 0.001 0.000 0.228 81 G HA3 0.344 4.304 3.960 0.001 0.000 0.228 81 G C 0.189 175.081 174.900 -0.013 0.000 1.094 81 G CA -0.420 44.541 45.100 -0.231 0.000 0.782 81 G HN 0.351 nan 8.290 nan 0.000 0.541 82 M N 1.597 121.204 119.600 0.012 0.000 2.180 82 M HA 0.415 4.895 4.480 0.001 0.000 0.358 82 M C -0.558 175.738 176.300 -0.005 0.000 1.233 82 M CA -0.016 55.322 55.300 0.064 0.000 1.114 82 M CB 1.867 34.543 32.600 0.127 0.000 1.594 82 M HN -0.125 nan 8.290 nan 0.000 0.467 83 L N 2.142 123.369 121.223 0.006 0.000 2.360 83 L HA 0.646 4.986 4.340 0.001 0.000 0.271 83 L C 0.229 177.104 176.870 0.007 0.000 1.057 83 L CA -0.380 54.456 54.840 -0.007 0.000 0.803 83 L CB 1.873 43.927 42.059 -0.007 0.000 1.207 83 L HN 0.833 nan 8.230 nan 0.000 0.445 84 S N 0.464 116.167 115.700 0.005 0.000 2.651 84 S HA 0.489 4.959 4.470 0.001 0.000 0.279 84 S C 0.395 175.008 174.600 0.021 0.000 1.148 84 S CA -1.006 57.207 58.200 0.022 0.000 0.837 84 S CB 2.016 65.234 63.200 0.032 0.000 1.138 84 S HN 0.597 nan 8.310 nan 0.000 0.478 85 R N 0.622 121.145 120.500 0.039 0.000 2.080 85 R HA 0.002 4.343 4.340 0.001 0.000 0.236 85 R C -0.950 175.361 176.300 0.019 0.000 1.137 85 R CA 1.936 58.058 56.100 0.037 0.000 0.943 85 R CB -1.784 28.550 30.300 0.056 0.000 0.846 85 R HN 0.537 nan 8.270 nan 0.000 0.431 86 P HA -0.123 nan 4.420 nan 0.000 0.216 86 P C 1.440 178.710 177.300 -0.050 0.000 1.150 86 P CA 1.082 64.150 63.100 -0.053 0.000 0.837 86 P CB -0.037 31.560 31.700 -0.171 0.000 0.786 87 V N -0.234 119.659 119.914 -0.036 0.000 2.261 87 V HA -0.197 3.924 4.120 0.001 0.000 0.246 87 V C 2.579 178.660 176.094 -0.023 0.000 1.047 87 V CA 1.843 64.124 62.300 -0.032 0.000 1.015 87 V CB -1.268 30.537 31.823 -0.031 0.000 0.642 87 V HN -0.048 nan 8.190 nan 0.000 0.446 88 V N 0.330 120.236 119.914 -0.014 0.000 2.407 88 V HA -0.245 3.875 4.120 0.001 0.000 0.248 88 V C 2.249 178.338 176.094 -0.007 0.000 1.055 88 V CA 2.117 64.411 62.300 -0.010 0.000 1.049 88 V CB -0.763 31.057 31.823 -0.005 0.000 0.662 88 V HN 0.563 nan 8.190 nan 0.000 0.455 89 D N -0.192 120.205 120.400 -0.005 0.000 2.117 89 D HA -0.120 4.520 4.640 0.001 0.000 0.198 89 D C 2.096 178.392 176.300 -0.007 0.000 0.982 89 D CA 0.938 54.937 54.000 -0.003 0.000 0.828 89 D CB -0.232 40.569 40.800 0.002 0.000 0.967 89 D HN 0.306 nan 8.370 nan 0.000 0.464 90 L N 0.645 121.858 121.223 -0.016 0.000 2.056 90 L HA -0.144 4.196 4.340 0.001 0.000 0.207 90 L C 2.199 179.065 176.870 -0.007 0.000 1.078 90 L CA 1.365 56.197 54.840 -0.015 0.000 0.749 90 L CB -0.337 41.706 42.059 -0.026 0.000 0.901 90 L HN -0.041 nan 8.230 nan 0.000 0.433 91 A N -0.590 122.223 122.820 -0.013 0.000 1.908 91 A HA -0.220 4.101 4.320 0.001 0.000 0.218 91 A C 2.186 179.764 177.584 -0.009 0.000 1.181 91 A CA 2.385 54.413 52.037 -0.014 0.000 0.627 91 A CB -0.962 18.027 19.000 -0.019 0.000 0.818 91 A HN 0.510 nan 8.150 nan 0.000 0.445 92 T N -0.685 113.866 114.554 -0.006 0.000 2.737 92 T HA -0.134 4.216 4.350 0.001 0.000 0.265 92 T C 2.084 176.788 174.700 0.007 0.000 1.038 92 T CA 1.632 63.731 62.100 -0.002 0.000 1.144 92 T CB -0.245 68.623 68.868 -0.001 0.000 0.866 92 T HN 0.515 nan 8.240 nan 0.000 0.434 93 R N 1.176 121.682 120.500 0.010 0.000 2.103 93 R HA 0.021 4.361 4.340 0.001 0.000 0.242 93 R C 2.227 178.550 176.300 0.038 0.000 1.142 93 R CA 1.413 57.526 56.100 0.021 0.000 0.960 93 R CB -1.028 29.283 30.300 0.018 0.000 0.858 93 R HN 0.390 nan 8.270 nan 0.000 0.439 94 L N -0.323 120.921 121.223 0.035 0.000 2.131 94 L HA -0.099 4.242 4.340 0.001 0.000 0.210 94 L C 2.443 179.329 176.870 0.027 0.000 1.092 94 L CA 1.249 56.119 54.840 0.050 0.000 0.759 94 L CB -0.534 41.537 42.059 0.019 0.000 0.903 94 L HN 0.380 nan 8.230 nan 0.000 0.435 95 A N 0.387 123.211 122.820 0.007 0.000 1.898 95 A HA -0.187 4.133 4.320 0.001 0.000 0.216 95 A C 1.989 179.581 177.584 0.013 0.000 1.181 95 A CA 1.751 53.785 52.037 -0.005 0.000 0.620 95 A CB -0.473 18.520 19.000 -0.012 0.000 0.819 95 A HN 0.479 nan 8.150 nan 0.000 0.442 96 N N 0.578 119.293 118.700 0.025 0.000 2.270 96 N HA -0.098 4.643 4.740 0.001 0.000 0.181 96 N C 1.677 177.222 175.510 0.058 0.000 1.016 96 N CA 1.738 54.807 53.050 0.032 0.000 0.870 96 N CB -0.524 37.978 38.487 0.025 0.000 0.979 96 N HN 0.802 nan 8.380 nan 0.000 0.431 97 I N -0.712 119.914 120.570 0.093 0.000 3.030 97 I HA 0.062 4.233 4.170 0.001 0.000 0.270 97 I C 0.774 177.049 176.117 0.263 0.000 1.211 97 I CA 0.141 61.531 61.300 0.150 0.000 1.479 97 I CB -0.590 37.496 38.000 0.144 0.000 1.105 97 I HN -0.137 nan 8.210 nan 0.000 0.447 98 T N -0.004 114.667 114.554 0.194 0.000 2.816 98 T HA 0.419 4.769 4.350 0.001 0.000 0.282 98 T C -2.271 172.463 174.700 0.058 0.000 0.993 98 T CA -1.482 60.678 62.100 0.099 0.000 0.994 98 T CB 0.354 69.109 68.868 -0.189 0.000 1.025 98 T HN -0.035 nan 8.240 nan 0.000 0.529 99 P HA 0.253 nan 4.420 nan 0.000 0.271 99 P C -2.606 174.690 177.300 -0.006 0.000 1.244 99 P CA -1.484 61.629 63.100 0.022 0.000 0.793 99 P CB -1.069 30.639 31.700 0.014 0.000 0.984 100 P HA 0.133 nan 4.420 nan 0.000 0.267 100 P C 0.883 178.170 177.300 -0.021 0.000 1.209 100 P CA 0.969 64.063 63.100 -0.009 0.000 0.763 100 P CB 0.003 31.701 31.700 -0.004 0.000 0.816 101 G N 2.502 111.285 108.800 -0.028 0.000 2.316 101 G HA2 -0.154 3.807 3.960 0.001 0.000 0.203 101 G HA3 -0.154 3.807 3.960 0.001 0.000 0.203 101 G C -0.343 174.526 174.900 -0.051 0.000 0.999 101 G CA -0.527 44.551 45.100 -0.037 0.000 0.649 101 G HN 0.450 nan 8.290 nan 0.000 0.489 102 L N 1.942 123.129 121.223 -0.059 0.000 2.276 102 L HA 0.531 4.871 4.340 0.001 0.000 0.286 102 L C 0.126 176.957 176.870 -0.064 0.000 1.024 102 L CA -0.723 54.068 54.840 -0.081 0.000 0.826 102 L CB 1.341 43.327 42.059 -0.120 0.000 1.211 102 L HN 0.078 nan 8.230 nan 0.000 0.422 103 D N 1.673 122.037 120.400 -0.061 0.000 2.531 103 D HA 0.127 4.767 4.640 0.001 0.000 0.263 103 D C 0.348 176.620 176.300 -0.047 0.000 1.057 103 D CA 0.269 54.240 54.000 -0.047 0.000 0.909 103 D CB 1.013 41.789 40.800 -0.040 0.000 1.236 103 D HN 0.401 nan 8.370 nan 0.000 0.494 104 R N 1.063 121.528 120.500 -0.058 0.000 2.534 104 R HA 0.770 5.110 4.340 0.001 0.000 0.301 104 R C -0.665 175.598 176.300 -0.062 0.000 0.961 104 R CA -0.636 55.431 56.100 -0.055 0.000 0.871 104 R CB 2.543 32.809 30.300 -0.056 0.000 1.170 104 R HN -0.084 nan 8.270 nan 0.000 0.446 105 A N 2.522 125.313 122.820 -0.050 0.000 2.322 105 A HA 0.730 5.051 4.320 0.001 0.000 0.327 105 A C -1.228 176.337 177.584 -0.033 0.000 1.134 105 A CA -0.724 51.283 52.037 -0.049 0.000 0.831 105 A CB 1.397 20.372 19.000 -0.041 0.000 1.288 105 A HN 0.547 nan 8.150 nan 0.000 0.472 106 L N 1.271 122.476 121.223 -0.030 0.000 2.372 106 L HA 0.573 4.913 4.340 0.001 0.000 0.274 106 L C -1.372 175.492 176.870 -0.009 0.000 0.988 106 L CA -0.164 54.673 54.840 -0.006 0.000 0.833 106 L CB 1.257 43.323 42.059 0.012 0.000 1.236 106 L HN 0.596 nan 8.230 nan 0.000 0.410 107 L N 6.419 127.642 121.223 -0.001 0.000 2.265 107 L HA 0.539 4.879 4.340 0.001 0.000 0.288 107 L C -0.324 176.562 176.870 0.028 0.000 1.058 107 L CA -0.171 54.672 54.840 0.003 0.000 0.809 107 L CB 0.901 42.956 42.059 -0.007 0.000 1.179 107 L HN 0.630 nan 8.230 nan 0.000 0.429 108 L N 0.975 122.221 121.223 0.039 0.000 2.205 108 L HA 0.513 4.853 4.340 0.001 0.000 0.242 108 L C 0.711 177.622 176.870 0.068 0.000 1.115 108 L CA -0.438 54.450 54.840 0.078 0.000 0.987 108 L CB 1.900 44.017 42.059 0.096 0.000 1.568 108 L HN 0.509 nan 8.230 nan 0.000 0.450 109 S N -1.641 114.112 115.700 0.088 0.000 2.517 109 S HA 0.090 4.560 4.470 0.001 0.000 0.228 109 S C 0.445 175.075 174.600 0.050 0.000 1.060 109 S CA 0.491 58.726 58.200 0.059 0.000 0.937 109 S CB 0.374 63.609 63.200 0.057 0.000 0.840 109 S HN 0.812 nan 8.310 nan 0.000 0.546 110 T N -1.417 113.177 114.554 0.068 0.000 2.910 110 T HA 0.654 5.004 4.350 0.001 0.000 0.287 110 T C 1.335 176.071 174.700 0.060 0.000 1.050 110 T CA -0.097 62.040 62.100 0.061 0.000 1.011 110 T CB 1.304 70.210 68.868 0.063 0.000 1.195 110 T HN 0.071 nan 8.240 nan 0.000 0.540 111 G N 0.171 109.013 108.800 0.070 0.000 2.421 111 G HA2 0.018 3.979 3.960 0.001 0.000 0.216 111 G HA3 0.018 3.979 3.960 0.001 0.000 0.216 111 G C 1.667 176.600 174.900 0.055 0.000 1.171 111 G CA 0.843 45.988 45.100 0.075 0.000 0.775 111 G HN 1.139 nan 8.290 nan 0.000 0.543 112 A N 0.331 123.179 122.820 0.048 0.000 2.014 112 A HA 0.103 4.424 4.320 0.001 0.000 0.218 112 A C 2.103 179.708 177.584 0.034 0.000 1.163 112 A CA 1.825 53.871 52.037 0.015 0.000 0.652 112 A CB -0.301 18.691 19.000 -0.012 0.000 0.808 112 A HN 0.501 nan 8.150 nan 0.000 0.449 113 E N 0.573 120.814 120.200 0.068 0.000 2.072 113 E HA -0.165 4.185 4.350 0.001 0.000 0.191 113 E C 2.201 178.802 176.600 0.002 0.000 0.985 113 E CA 1.497 57.974 56.400 0.128 0.000 0.801 113 E CB -0.120 29.687 29.700 0.179 0.000 0.750 113 E HN 0.715 nan 8.360 nan 0.000 0.452 114 S N 0.814 116.497 115.700 -0.027 0.000 2.348 114 S HA -0.161 4.309 4.470 0.001 0.000 0.221 114 S C 1.789 176.315 174.600 -0.123 0.000 1.033 114 S CA 1.223 59.363 58.200 -0.099 0.000 1.010 114 S CB -0.548 62.626 63.200 -0.044 0.000 0.891 114 S HN 0.266 nan 8.310 nan 0.000 0.442 115 N N 1.912 120.573 118.700 -0.065 0.000 2.205 115 N HA -0.076 4.664 4.740 0.001 0.000 0.186 115 N C 1.751 177.203 175.510 -0.095 0.000 1.015 115 N CA 1.416 54.417 53.050 -0.082 0.000 0.862 115 N CB -0.389 38.055 38.487 -0.071 0.000 0.986 115 N HN 0.645 nan 8.380 nan 0.000 0.429 116 E N 1.143 121.301 120.200 -0.070 0.000 2.047 116 E HA -0.057 4.294 4.350 0.001 0.000 0.191 116 E C 1.993 178.529 176.600 -0.106 0.000 0.987 116 E CA 0.827 57.219 56.400 -0.013 0.000 0.799 116 E CB -0.212 29.576 29.700 0.147 0.000 0.752 116 E HN 0.310 nan 8.360 nan 0.000 0.449 117 A N 1.796 124.335 122.820 -0.469 0.000 1.940 117 A HA -0.129 4.192 4.320 0.001 0.000 0.219 117 A C 2.415 179.872 177.584 -0.210 0.000 1.176 117 A CA 1.983 53.589 52.037 -0.719 0.000 0.631 117 A CB -0.519 17.746 19.000 -1.225 0.000 0.814 117 A HN 0.278 nan 8.150 nan 0.000 0.446 118 A N 0.011 122.721 122.820 -0.183 0.000 1.855 118 A HA -0.037 4.284 4.320 0.001 0.000 0.215 118 A C 2.081 179.622 177.584 -0.072 0.000 1.191 118 A CA 1.442 53.404 52.037 -0.125 0.000 0.613 118 A CB -0.641 18.289 19.000 -0.118 0.000 0.829 118 A HN 0.465 nan 8.150 nan 0.000 0.442 119 I N -0.247 120.288 120.570 -0.059 0.000 2.335 119 I HA -0.267 3.903 4.170 0.001 0.000 0.251 119 I C 2.673 178.811 176.117 0.036 0.000 1.129 119 I CA 1.687 62.972 61.300 -0.024 0.000 1.402 119 I CB -0.277 37.702 38.000 -0.034 0.000 1.069 119 I HN 0.451 nan 8.210 nan 0.000 0.424 120 R N 1.422 121.975 120.500 0.089 0.000 2.115 120 R HA -0.155 4.186 4.340 0.001 0.000 0.226 120 R C 2.287 178.720 176.300 0.221 0.000 1.100 120 R CA 1.297 57.502 56.100 0.176 0.000 0.980 120 R CB -0.271 30.170 30.300 0.235 0.000 0.875 120 R HN 0.322 nan 8.270 nan 0.000 0.445 121 M N 0.473 120.181 119.600 0.180 0.000 2.132 121 M HA -0.040 4.441 4.480 0.001 0.000 0.263 121 M C 2.120 178.401 176.300 -0.031 0.000 1.065 121 M CA 1.952 57.232 55.300 -0.034 0.000 1.122 121 M CB -0.065 32.300 32.600 -0.393 0.000 1.365 121 M HN 0.288 nan 8.290 nan 0.000 0.411 122 A N 0.808 123.615 122.820 -0.022 0.000 1.930 122 A HA -0.135 4.185 4.320 0.001 0.000 0.217 122 A C 2.046 179.642 177.584 0.021 0.000 1.175 122 A CA 1.565 53.593 52.037 -0.014 0.000 0.627 122 A CB -0.531 18.459 19.000 -0.016 0.000 0.815 122 A HN 0.574 nan 8.150 nan 0.000 0.443 123 K N -0.721 119.710 120.400 0.050 0.000 2.097 123 K HA -0.087 4.233 4.320 0.001 0.000 0.205 123 K C 1.891 178.538 176.600 0.078 0.000 1.050 123 K CA 1.204 57.535 56.287 0.074 0.000 0.938 123 K CB -0.437 32.125 32.500 0.103 0.000 0.718 123 K HN 0.412 nan 8.250 nan 0.000 0.442 124 L N 1.336 122.613 121.223 0.090 0.000 1.973 124 L HA -0.152 4.188 4.340 0.001 0.000 0.208 124 L C 2.233 179.136 176.870 0.055 0.000 1.073 124 L CA 1.402 56.298 54.840 0.094 0.000 0.746 124 L CB -0.602 41.550 42.059 0.157 0.000 0.891 124 L HN -0.148 nan 8.230 nan 0.000 0.433 125 V N 0.002 119.933 119.914 0.029 0.000 2.250 125 V HA -0.392 3.728 4.120 0.001 0.000 0.250 125 V C 2.687 178.787 176.094 0.010 0.000 1.060 125 V CA 2.580 64.884 62.300 0.005 0.000 1.030 125 V CB -1.169 30.638 31.823 -0.027 0.000 0.643 125 V HN 0.825 nan 8.190 nan 0.000 0.445 126 T N -3.011 111.551 114.554 0.013 0.000 2.985 126 T HA 0.181 4.532 4.350 0.001 0.000 0.266 126 T C 1.602 176.315 174.700 0.021 0.000 1.076 126 T CA 1.155 63.262 62.100 0.012 0.000 1.135 126 T CB 0.205 69.077 68.868 0.008 0.000 0.890 126 T HN 1.162 nan 8.240 nan 0.000 0.480 127 G N 1.235 110.058 108.800 0.038 0.000 2.157 127 G HA2 -0.214 3.746 3.960 0.001 0.000 0.248 127 G HA3 -0.214 3.746 3.960 0.001 0.000 0.248 127 G C -0.034 174.908 174.900 0.069 0.000 0.979 127 G CA 0.394 45.525 45.100 0.051 0.000 0.650 127 G HN 0.720 nan 8.290 nan 0.000 0.529 128 K N -1.648 118.787 120.400 0.058 0.000 2.331 128 K HA 0.726 5.046 4.320 0.001 0.000 0.238 128 K C 0.347 177.003 176.600 0.093 0.000 1.058 128 K CA -0.572 55.738 56.287 0.038 0.000 0.871 128 K CB 1.020 33.483 32.500 -0.062 0.000 1.292 128 K HN 0.407 nan 8.250 nan 0.000 0.470 129 Y N -1.842 118.476 120.300 0.029 0.000 2.666 129 Y HA 0.403 4.953 4.550 0.001 0.000 0.260 129 Y C -0.551 175.358 175.900 0.014 0.000 1.089 129 Y CA -0.717 57.393 58.100 0.017 0.000 1.246 129 Y CB 0.264 38.727 38.460 0.004 0.000 1.353 129 Y HN 0.353 nan 8.280 nan 0.000 0.558 130 E N 2.810 122.792 120.200 -0.363 0.000 2.289 130 E HA 0.365 4.715 4.350 0.001 0.000 0.278 130 E C -0.533 176.066 176.600 -0.003 0.000 1.032 130 E CA -0.378 55.944 56.400 -0.130 0.000 0.854 130 E CB 1.413 31.079 29.700 -0.057 0.000 1.046 130 E HN 0.196 nan 8.360 nan 0.000 0.409 131 I N 2.914 123.489 120.570 0.009 0.000 2.530 131 I HA 0.378 4.548 4.170 0.001 0.000 0.297 131 I C -0.236 175.855 176.117 -0.042 0.000 1.011 131 I CA -0.945 60.338 61.300 -0.029 0.000 1.107 131 I CB 1.461 39.427 38.000 -0.057 0.000 1.285 131 I HN 0.232 nan 8.210 nan 0.000 0.436 132 V N 3.523 123.317 119.914 -0.201 0.000 2.680 132 V HA 0.965 5.085 4.120 0.001 0.000 0.309 132 V C 0.323 175.849 176.094 -0.947 0.000 1.052 132 V CA -0.412 61.643 62.300 -0.408 0.000 0.908 132 V CB 1.878 33.494 31.823 -0.346 0.000 1.001 132 V HN 1.027 nan 8.190 nan 0.000 0.431 133 G N 1.236 109.559 108.800 -0.795 0.000 2.687 133 G HA2 0.717 4.677 3.960 0.001 0.000 0.291 133 G HA3 0.717 4.677 3.960 0.001 0.000 0.291 133 G C -1.685 172.891 174.900 -0.540 0.000 1.420 133 G CA -0.665 43.984 45.100 -0.753 0.000 0.796 133 G HN 0.287 nan 8.290 nan 0.000 0.485 134 F N 0.324 120.259 119.950 -0.025 0.000 2.380 134 F HA 0.521 5.048 4.527 0.001 0.000 0.325 134 F C 1.664 177.384 175.800 -0.134 0.000 1.136 134 F CA -0.027 57.970 58.000 -0.005 0.000 1.171 134 F CB 1.733 40.800 39.000 0.112 0.000 1.230 134 F HN 0.519 nan 8.300 nan 0.000 0.554 135 A N 1.083 123.946 122.820 0.072 0.000 2.216 135 A HA -0.060 4.261 4.320 0.001 0.000 0.214 135 A C 1.117 178.795 177.584 0.156 0.000 1.160 135 A CA 0.817 52.828 52.037 -0.044 0.000 0.725 135 A CB -0.624 18.352 19.000 -0.040 0.000 0.784 135 A HN 0.687 nan 8.150 nan 0.000 0.472 136 Q N 0.371 120.280 119.800 0.182 0.000 2.115 136 Q HA 0.188 4.528 4.340 0.001 0.000 0.249 136 Q C -0.089 176.012 176.000 0.168 0.000 0.830 136 Q CA 0.189 56.077 55.803 0.142 0.000 1.104 136 Q CB -0.549 28.201 28.738 0.020 0.000 1.207 136 Q HN 0.504 nan 8.270 nan 0.000 0.464 137 S N 0.092 115.945 115.700 0.255 0.000 2.614 137 S HA 0.469 4.940 4.470 0.001 0.000 0.265 137 S C -0.536 174.113 174.600 0.081 0.000 1.303 137 S CA -0.561 57.725 58.200 0.142 0.000 1.000 137 S CB 1.328 64.650 63.200 0.203 0.000 0.935 137 S HN 0.513 nan 8.310 nan 0.000 0.551 138 W N 1.923 123.004 121.300 -0.366 0.000 2.802 138 W HA 0.349 5.009 4.660 0.000 0.000 0.331 138 W C -1.129 175.110 176.519 -0.466 0.000 1.021 138 W CA -0.453 56.723 57.345 -0.282 0.000 1.259 138 W CB 1.112 30.493 29.460 -0.133 0.000 1.323 138 W HN 0.956 nan 8.180 nan 0.000 0.432 139 H N 3.076 121.862 119.070 -0.474 0.000 3.233 139 H HA 0.321 4.877 4.556 0.001 0.000 0.263 139 H C 0.908 175.955 175.328 -0.469 0.000 1.168 139 H CA 0.661 56.517 56.048 -0.319 0.000 1.159 139 H CB 1.775 31.443 29.762 -0.158 0.000 1.593 139 H HN 0.525 nan 8.280 nan 0.000 0.580 140 G N 0.475 108.752 108.800 -0.871 0.000 2.334 140 G HA2 -0.076 3.884 3.960 0.001 0.000 0.566 140 G HA3 -0.076 3.884 3.960 0.001 0.000 0.566 140 G C 0.309 174.881 174.900 -0.547 0.000 1.413 140 G CA -0.435 44.331 45.100 -0.557 0.000 0.993 140 G HN -0.083 nan 8.290 nan 0.000 0.642 141 M N 0.479 119.914 119.600 -0.274 0.000 2.394 141 M HA 0.092 4.572 4.480 0.001 0.000 0.266 141 M C 2.032 178.267 176.300 -0.108 0.000 1.098 141 M CA 1.606 56.808 55.300 -0.163 0.000 1.149 141 M CB -0.929 31.664 32.600 -0.011 0.000 1.369 141 M HN 0.957 nan 8.290 nan 0.000 0.450 142 T N -0.946 113.564 114.554 -0.074 0.000 2.900 142 T HA 0.343 4.693 4.350 0.001 0.000 0.307 142 T C 1.503 176.168 174.700 -0.059 0.000 1.065 142 T CA 0.027 62.102 62.100 -0.041 0.000 1.105 142 T CB 1.045 69.913 68.868 0.000 0.000 0.979 142 T HN 0.432 nan 8.240 nan 0.000 0.544 143 G N 2.190 110.966 108.800 -0.041 0.000 3.331 143 G HA2 -0.342 3.618 3.960 0.001 0.000 0.259 143 G HA3 -0.342 3.618 3.960 0.001 0.000 0.259 143 G C 1.710 176.573 174.900 -0.061 0.000 1.004 143 G CA 1.971 47.044 45.100 -0.045 0.000 0.753 143 G HN 1.501 nan 8.290 nan 0.000 1.125 144 A N 0.188 122.984 122.820 -0.040 0.000 1.969 144 A HA 0.352 4.673 4.320 0.001 0.000 0.218 144 A C 2.873 180.408 177.584 -0.083 0.000 1.169 144 A CA 2.424 54.430 52.037 -0.052 0.000 0.635 144 A CB -0.775 18.210 19.000 -0.024 0.000 0.810 144 A HN 1.446 nan 8.150 nan 0.000 0.445 145 A N -0.033 122.737 122.820 -0.083 0.000 1.933 145 A HA 0.155 4.476 4.320 0.001 0.000 0.218 145 A C 2.417 179.897 177.584 -0.173 0.000 1.175 145 A CA 1.932 53.904 52.037 -0.108 0.000 0.628 145 A CB -0.867 18.070 19.000 -0.105 0.000 0.814 145 A HN 1.051 nan 8.150 nan 0.000 0.444 146 A N -0.934 121.769 122.820 -0.194 0.000 2.066 146 A HA 0.045 4.366 4.320 0.001 0.000 0.218 146 A C 2.258 179.688 177.584 -0.257 0.000 1.157 146 A CA 1.663 53.552 52.037 -0.248 0.000 0.670 146 A CB -0.509 18.371 19.000 -0.200 0.000 0.804 146 A HN 0.413 nan 8.150 nan 0.000 0.453 147 S N -0.728 114.849 115.700 -0.205 0.000 2.461 147 S HA 0.197 4.667 4.470 0.001 0.000 0.228 147 S C 1.729 176.153 174.600 -0.294 0.000 1.005 147 S CA 0.725 58.789 58.200 -0.227 0.000 0.942 147 S CB 0.015 63.130 63.200 -0.141 0.000 0.776 147 S HN 0.736 nan 8.310 nan 0.000 0.514 148 A N 0.910 123.608 122.820 -0.204 0.000 2.348 148 A HA 0.319 4.639 4.320 0.001 0.000 0.224 148 A C 0.669 178.268 177.584 0.026 0.000 1.227 148 A CA -0.119 51.908 52.037 -0.017 0.000 0.885 148 A CB 0.084 19.082 19.000 -0.003 0.000 0.933 148 A HN 0.278 nan 8.150 nan 0.000 0.506 149 T N -0.310 114.050 114.554 -0.323 0.000 2.806 149 T HA 0.435 4.786 4.350 0.001 0.000 0.290 149 T C -0.134 174.288 174.700 -0.463 0.000 0.966 149 T CA 0.393 62.337 62.100 -0.261 0.000 1.060 149 T CB 0.385 69.025 68.868 -0.379 0.000 0.927 149 T HN 0.342 nan 8.240 nan 0.000 0.485 150 Y N 0.087 120.411 120.300 0.040 0.000 2.610 150 Y HA 0.130 4.680 4.550 0.001 0.000 0.254 150 Y C 2.395 178.345 175.900 0.082 0.000 1.110 150 Y CA -0.399 57.736 58.100 0.057 0.000 1.238 150 Y CB 0.172 38.669 38.460 0.063 0.000 1.322 150 Y HN 0.702 nan 8.280 nan 0.000 0.547 151 S N 0.082 115.930 115.700 0.246 0.000 2.387 151 S HA 0.374 4.844 4.470 0.001 0.000 0.226 151 S C 0.984 175.687 174.600 0.172 0.000 1.026 151 S CA 0.640 58.958 58.200 0.197 0.000 0.972 151 S CB 0.033 63.349 63.200 0.193 0.000 0.814 151 S HN 0.219 nan 8.310 nan 0.000 0.477 152 A N -0.808 122.139 122.820 0.211 0.000 2.529 152 A HA 0.696 5.016 4.320 0.001 0.000 0.296 152 A C 0.825 178.486 177.584 0.129 0.000 1.205 152 A CA -0.243 51.901 52.037 0.178 0.000 0.671 152 A CB -0.308 18.824 19.000 0.220 0.000 1.301 152 A HN 1.413 nan 8.150 nan 0.000 0.450 153 G N -0.696 108.171 108.800 0.111 0.000 2.337 153 G HA2 -0.309 3.651 3.960 0.001 0.000 0.290 153 G HA3 -0.309 3.651 3.960 0.001 0.000 0.290 153 G C 0.756 175.656 174.900 -0.001 0.000 1.003 153 G CA 1.421 46.559 45.100 0.062 0.000 0.825 153 G HN 0.965 nan 8.290 nan 0.000 0.509 154 R N -0.426 120.068 120.500 -0.009 0.000 2.240 154 R HA 0.141 4.482 4.340 0.001 0.000 0.203 154 R C 1.220 177.507 176.300 -0.021 0.000 1.011 154 R CA 0.917 56.992 56.100 -0.042 0.000 1.007 154 R CB 0.050 30.325 30.300 -0.042 0.000 0.911 154 R HN 0.487 nan 8.270 nan 0.000 0.468 155 K N -1.274 119.126 120.400 -0.000 0.000 2.123 155 K HA 0.363 4.683 4.320 0.001 0.000 0.248 155 K C 0.372 176.974 176.600 0.002 0.000 0.969 155 K CA -0.025 56.264 56.287 0.003 0.000 0.882 155 K CB 1.541 34.048 32.500 0.013 0.000 1.080 155 K HN 0.092 nan 8.250 nan 0.000 0.441 156 G N 0.021 108.821 108.800 0.001 0.000 2.220 156 G HA2 -0.304 3.656 3.960 0.001 0.000 0.269 156 G HA3 -0.304 3.656 3.960 0.001 0.000 0.269 156 G C 0.509 175.408 174.900 -0.002 0.000 0.977 156 G CA 0.692 45.792 45.100 0.001 0.000 0.634 156 G HN 0.537 nan 8.290 nan 0.000 0.539 157 V N -2.127 117.783 119.914 -0.008 0.000 3.099 157 V HA 0.687 4.807 4.120 0.001 0.000 0.356 157 V C 1.251 177.334 176.094 -0.019 0.000 1.364 157 V CA 0.337 62.630 62.300 -0.012 0.000 1.229 157 V CB -0.473 31.342 31.823 -0.014 0.000 1.227 157 V HN 2.244 nan 8.190 nan 0.000 0.493 158 G N 1.137 109.926 108.800 -0.018 0.000 2.685 158 G HA2 -0.039 3.921 3.960 0.001 0.000 0.387 158 G HA3 -0.039 3.921 3.960 0.001 0.000 0.387 158 G C -2.609 172.274 174.900 -0.029 0.000 1.324 158 G CA -0.428 44.659 45.100 -0.022 0.000 0.878 158 G HN 0.558 nan 8.290 nan 0.000 0.527 159 P HA 0.633 nan 4.420 nan 0.000 0.277 159 P C 0.331 177.599 177.300 -0.053 0.000 1.240 159 P CA 0.371 63.448 63.100 -0.038 0.000 0.798 159 P CB 0.963 32.641 31.700 -0.037 0.000 0.979 160 A N 1.611 124.394 122.820 -0.063 0.000 2.259 160 A HA 0.607 4.928 4.320 0.001 0.000 0.278 160 A C 0.315 177.850 177.584 -0.082 0.000 1.107 160 A CA -0.234 51.753 52.037 -0.083 0.000 0.828 160 A CB -0.295 18.646 19.000 -0.099 0.000 1.111 160 A HN 0.658 nan 8.150 nan 0.000 0.498 161 A N -0.167 122.601 122.820 -0.087 0.000 2.520 161 A HA 0.445 4.766 4.320 0.001 0.000 0.235 161 A C 0.361 177.895 177.584 -0.083 0.000 1.065 161 A CA -0.145 51.846 52.037 -0.077 0.000 0.764 161 A CB -0.527 18.434 19.000 -0.065 0.000 1.002 161 A HN 1.223 nan 8.150 nan 0.000 0.502 162 V N 1.653 121.518 119.914 -0.081 0.000 2.637 162 V HA 0.473 4.593 4.120 0.001 0.000 0.296 162 V C 1.511 177.629 176.094 0.041 0.000 1.046 162 V CA 0.967 63.227 62.300 -0.066 0.000 1.066 162 V CB 0.146 31.888 31.823 -0.135 0.000 0.968 162 V HN 2.059 nan 8.190 nan 0.000 0.483 163 G N 3.341 112.119 108.800 -0.037 0.000 2.131 163 G HA2 -0.210 3.751 3.960 0.001 0.000 0.223 163 G HA3 -0.210 3.751 3.960 0.001 0.000 0.223 163 G C 0.139 174.731 174.900 -0.514 0.000 0.990 163 G CA 0.011 45.027 45.100 -0.139 0.000 0.671 163 G HN 0.788 nan 8.290 nan 0.000 0.521 164 S N 0.087 115.463 115.700 -0.540 0.000 2.475 164 S HA 0.812 5.283 4.470 0.001 0.000 0.281 164 S C -0.433 173.790 174.600 -0.630 0.000 1.198 164 S CA -0.139 57.820 58.200 -0.402 0.000 1.063 164 S CB 0.813 63.917 63.200 -0.160 0.000 0.972 164 S HN 0.357 nan 8.310 nan 0.000 0.486 165 F N 0.671 120.624 119.950 0.006 0.000 2.613 165 F HA 0.799 5.326 4.527 0.001 0.000 0.314 165 F C 0.177 175.848 175.800 -0.214 0.000 1.075 165 F CA -0.992 56.959 58.000 -0.081 0.000 0.945 165 F CB 1.594 40.508 39.000 -0.143 0.000 1.310 165 F HN 0.609 nan 8.300 nan 0.000 0.467 166 A N 1.635 124.385 122.820 -0.117 0.000 2.515 166 A HA 0.942 5.263 4.320 0.001 0.000 0.296 166 A C -1.246 176.201 177.584 -0.227 0.000 1.094 166 A CA -0.737 51.039 52.037 -0.435 0.000 0.718 166 A CB 1.745 20.205 19.000 -0.899 0.000 1.307 166 A HN 0.831 nan 8.150 nan 0.000 0.408 167 I N -1.538 118.949 120.570 -0.139 0.000 2.892 167 I HA 0.767 4.937 4.170 0.001 0.000 0.306 167 I C -2.952 173.274 176.117 0.181 0.000 1.078 167 I CA -2.991 58.328 61.300 0.031 0.000 1.032 167 I CB 2.470 40.513 38.000 0.073 0.000 1.229 167 I HN 0.277 nan 8.210 nan 0.000 0.435 168 P HA 0.269 nan 4.420 nan 0.000 0.275 168 P C -0.636 176.814 177.300 0.251 0.000 1.228 168 P CA -0.161 63.053 63.100 0.191 0.000 0.786 168 P CB 0.997 32.793 31.700 0.160 0.000 0.927 169 A N 4.222 127.081 122.820 0.066 0.000 2.340 169 A HA 0.548 4.869 4.320 0.001 0.000 0.268 169 A C -2.153 175.329 177.584 -0.170 0.000 1.100 169 A CA -1.515 50.317 52.037 -0.340 0.000 0.803 169 A CB -0.833 17.824 19.000 -0.572 0.000 1.043 169 A HN 0.407 nan 8.150 nan 0.000 0.488 170 P HA 0.251 nan 4.420 nan 0.000 0.276 170 P C -1.230 176.131 177.300 0.102 0.000 1.253 170 P CA 0.235 63.295 63.100 -0.066 0.000 0.766 170 P CB 0.245 31.658 31.700 -0.478 0.000 0.845 171 F N 3.889 123.887 119.950 0.080 0.000 2.500 171 F HA 0.237 4.765 4.527 0.001 0.000 0.349 171 F C 1.347 177.097 175.800 -0.084 0.000 1.127 171 F CA -0.997 56.981 58.000 -0.037 0.000 0.998 171 F CB 1.141 40.099 39.000 -0.071 0.000 1.237 171 F HN 0.277 nan 8.300 nan 0.000 0.439 172 T N 3.225 117.837 114.554 0.097 0.000 2.812 172 T HA -0.185 4.165 4.350 0.001 0.000 0.264 172 T C 1.821 176.299 174.700 -0.370 0.000 1.042 172 T CA 1.370 63.430 62.100 -0.068 0.000 1.140 172 T CB -0.828 68.117 68.868 0.128 0.000 0.870 172 T HN 0.562 nan 8.240 nan 0.000 0.445 173 Y N 3.269 123.100 120.300 -0.781 0.000 2.069 173 Y HA -0.052 4.498 4.550 0.001 0.000 0.278 173 Y C 1.259 176.656 175.900 -0.839 0.000 1.175 173 Y CA 1.309 58.919 58.100 -0.816 0.000 1.134 173 Y CB -0.271 37.786 38.460 -0.672 0.000 0.965 173 Y HN 0.230 nan 8.280 nan 0.000 0.498 174 R N 0.918 120.568 120.500 -1.415 0.000 2.724 174 R HA 0.265 4.606 4.340 0.001 0.000 0.284 174 R C -2.654 173.273 176.300 -0.621 0.000 1.481 174 R CA -2.004 53.579 56.100 -0.861 0.000 1.652 174 R CB 0.460 30.414 30.300 -0.576 0.000 1.175 174 R HN 0.124 nan 8.270 nan 0.000 0.613 175 P HA 0.007 nan 4.420 nan 0.000 0.265 175 P C -0.071 176.996 177.300 -0.389 0.000 1.187 175 P CA 0.052 62.676 63.100 -0.794 0.000 0.766 175 P CB 1.016 32.338 31.700 -0.630 0.000 0.820 176 R N 0.404 120.772 120.500 -0.220 0.000 2.576 176 R HA 0.255 4.595 4.340 0.001 0.000 0.237 176 R C -0.079 176.322 176.300 0.168 0.000 0.917 176 R CA -0.154 55.950 56.100 0.008 0.000 1.002 176 R CB 0.325 30.666 30.300 0.068 0.000 1.428 176 R HN 0.346 nan 8.270 nan 0.000 0.603 177 F N 1.835 121.887 119.950 0.170 0.000 2.436 177 F HA 0.390 4.917 4.527 0.001 0.000 0.340 177 F C -0.520 175.392 175.800 0.188 0.000 1.113 177 F CA -0.679 57.413 58.000 0.153 0.000 1.022 177 F CB 1.415 40.537 39.000 0.203 0.000 1.128 177 F HN -0.242 nan 8.300 nan 0.000 0.466 178 E N 5.531 125.461 120.200 -0.450 0.000 2.224 178 E HA 0.352 4.703 4.350 0.001 0.000 0.265 178 E C -1.177 175.227 176.600 -0.328 0.000 0.878 178 E CA -0.866 55.391 56.400 -0.238 0.000 0.759 178 E CB 1.128 30.716 29.700 -0.187 0.000 1.164 178 E HN 0.530 nan 8.360 nan 0.000 0.414 179 R N 3.950 124.371 120.500 -0.132 0.000 2.371 179 R HA 0.236 4.576 4.340 0.001 0.000 0.312 179 R C -0.695 175.565 176.300 -0.067 0.000 0.980 179 R CA -0.353 55.686 56.100 -0.102 0.000 0.867 179 R CB 0.585 30.872 30.300 -0.022 0.000 1.163 179 R HN 0.865 nan 8.270 nan 0.000 0.492 180 N N 2.226 120.881 118.700 -0.076 0.000 2.669 180 N HA -0.296 4.445 4.740 0.001 0.000 0.266 180 N C 0.554 176.039 175.510 -0.043 0.000 1.024 180 N CA 1.053 54.070 53.050 -0.055 0.000 0.766 180 N CB -0.250 38.213 38.487 -0.040 0.000 0.898 180 N HN 1.102 nan 8.380 nan 0.000 0.548 181 G N -1.211 107.562 108.800 -0.045 0.000 2.475 181 G HA2 -0.122 3.838 3.960 0.001 0.000 0.209 181 G HA3 -0.122 3.838 3.960 0.001 0.000 0.209 181 G C 0.025 174.915 174.900 -0.017 0.000 1.127 181 G CA 0.441 45.523 45.100 -0.030 0.000 0.681 181 G HN 1.090 nan 8.290 nan 0.000 0.517 182 A N -0.998 121.817 122.820 -0.008 0.000 2.437 182 A HA 0.710 5.030 4.320 0.001 0.000 0.288 182 A C -0.582 177.050 177.584 0.081 0.000 1.201 182 A CA -0.265 51.791 52.037 0.032 0.000 0.795 182 A CB 0.830 19.845 19.000 0.026 0.000 1.359 182 A HN 1.430 nan 8.150 nan 0.000 0.435 183 Y N 1.390 121.687 120.300 -0.006 0.000 2.650 183 Y HA 0.284 4.834 4.550 0.001 0.000 0.342 183 Y C -0.325 175.584 175.900 0.015 0.000 1.110 183 Y CA -0.304 57.822 58.100 0.044 0.000 1.438 183 Y CB 0.261 38.774 38.460 0.089 0.000 1.181 183 Y HN 0.530 nan 8.280 nan 0.000 0.526 184 D N 6.176 126.495 120.400 -0.134 0.000 2.540 184 D HA 0.020 4.661 4.640 0.001 0.000 0.251 184 D C 0.578 176.660 176.300 -0.363 0.000 1.159 184 D CA -0.372 53.469 54.000 -0.264 0.000 0.974 184 D CB -0.287 40.499 40.800 -0.024 0.000 0.996 184 D HN 0.627 nan 8.370 nan 0.000 0.512 185 Y N 0.773 120.692 120.300 -0.636 0.000 2.256 185 Y HA -0.124 4.426 4.550 0.001 0.000 0.288 185 Y C 1.379 177.239 175.900 -0.067 0.000 1.155 185 Y CA 0.420 58.230 58.100 -0.482 0.000 1.203 185 Y CB -0.490 37.663 38.460 -0.512 0.000 0.980 185 Y HN 0.167 nan 8.280 nan 0.000 0.530 186 L N 0.945 122.147 121.223 -0.036 0.000 2.156 186 L HA 0.039 4.380 4.340 0.001 0.000 0.208 186 L C 2.581 179.467 176.870 0.028 0.000 1.095 186 L CA 1.337 56.214 54.840 0.062 0.000 0.770 186 L CB -1.743 40.298 42.059 -0.030 0.000 0.914 186 L HN 0.468 nan 8.230 nan 0.000 0.439 187 A N -1.378 121.447 122.820 0.008 0.000 2.067 187 A HA -0.136 4.184 4.320 0.001 0.000 0.217 187 A C 2.294 179.817 177.584 -0.102 0.000 1.156 187 A CA 0.906 52.985 52.037 0.070 0.000 0.683 187 A CB -0.307 18.819 19.000 0.211 0.000 0.808 187 A HN 0.439 nan 8.150 nan 0.000 0.455 188 E N -0.118 119.919 120.200 -0.272 0.000 2.072 188 E HA -0.130 4.220 4.350 0.001 0.000 0.191 188 E C 1.921 178.434 176.600 -0.145 0.000 0.985 188 E CA 0.763 56.749 56.400 -0.691 0.000 0.801 188 E CB -0.163 29.346 29.700 -0.319 0.000 0.750 188 E HN 0.566 nan 8.360 nan 0.000 0.452 189 L N 1.255 122.524 121.223 0.076 0.000 2.013 189 L HA -0.253 4.087 4.340 0.001 0.000 0.212 189 L C 1.629 178.603 176.870 0.173 0.000 1.073 189 L CA 1.949 56.909 54.840 0.199 0.000 0.753 189 L CB -0.412 41.747 42.059 0.167 0.000 0.890 189 L HN 0.210 nan 8.230 nan 0.000 0.432 190 D N -1.390 119.070 120.400 0.099 0.000 2.144 190 D HA -0.219 4.421 4.640 0.001 0.000 0.200 190 D C 1.849 178.224 176.300 0.125 0.000 0.978 190 D CA 1.091 55.153 54.000 0.103 0.000 0.833 190 D CB -0.258 40.586 40.800 0.073 0.000 0.961 190 D HN 0.426 nan 8.370 nan 0.000 0.470 191 Y N 1.758 122.029 120.300 -0.048 0.000 2.163 191 Y HA -0.147 4.403 4.550 0.001 0.000 0.288 191 Y C 2.240 178.119 175.900 -0.035 0.000 1.136 191 Y CA 1.634 59.703 58.100 -0.051 0.000 1.147 191 Y CB -0.403 37.927 38.460 -0.216 0.000 0.987 191 Y HN -0.058 nan 8.280 nan 0.000 0.509 192 A N 0.146 122.971 122.820 0.009 0.000 1.841 192 A HA -0.234 4.087 4.320 0.001 0.000 0.216 192 A C 2.130 179.640 177.584 -0.124 0.000 1.199 192 A CA 1.931 53.930 52.037 -0.062 0.000 0.621 192 A CB -1.657 17.370 19.000 0.046 0.000 0.835 192 A HN 0.518 nan 8.150 nan 0.000 0.445 193 F N 0.307 120.218 119.950 -0.066 0.000 2.236 193 F HA -0.225 4.302 4.527 0.001 0.000 0.302 193 F C 2.062 177.785 175.800 -0.128 0.000 1.073 193 F CA 2.004 59.953 58.000 -0.084 0.000 1.336 193 F CB -0.340 38.622 39.000 -0.064 0.000 1.040 193 F HN 0.463 nan 8.300 nan 0.000 0.507 194 D N -0.356 120.046 120.400 0.003 0.000 2.144 194 D HA -0.170 4.470 4.640 0.001 0.000 0.200 194 D C 2.134 178.350 176.300 -0.141 0.000 0.978 194 D CA 0.770 54.733 54.000 -0.062 0.000 0.833 194 D CB -0.099 40.651 40.800 -0.083 0.000 0.961 194 D HN 0.113 nan 8.370 nan 0.000 0.470 195 L N 0.440 121.526 121.223 -0.228 0.000 2.005 195 L HA -0.079 4.261 4.340 0.001 0.000 0.207 195 L C 2.032 178.742 176.870 -0.266 0.000 1.072 195 L CA 1.378 56.070 54.840 -0.247 0.000 0.744 195 L CB -0.915 40.971 42.059 -0.288 0.000 0.895 195 L HN 0.143 nan 8.230 nan 0.000 0.433 196 I N 0.169 120.534 120.570 -0.341 0.000 2.118 196 I HA -0.324 3.847 4.170 0.001 0.000 0.241 196 I C 2.308 178.189 176.117 -0.394 0.000 1.070 196 I CA 1.477 62.466 61.300 -0.518 0.000 1.327 196 I CB -1.455 36.191 38.000 -0.590 0.000 1.034 196 I HN 0.322 nan 8.210 nan 0.000 0.405 197 D N 0.400 120.682 120.400 -0.197 0.000 2.158 197 D HA -0.186 4.455 4.640 0.001 0.000 0.197 197 D C 2.250 178.476 176.300 -0.124 0.000 0.995 197 D CA 0.942 54.876 54.000 -0.109 0.000 0.846 197 D CB -0.146 40.640 40.800 -0.023 0.000 0.941 197 D HN 0.318 nan 8.370 nan 0.000 0.456 198 R N 0.294 120.711 120.500 -0.138 0.000 2.189 198 R HA -0.018 4.322 4.340 0.001 0.000 0.218 198 R C 2.012 178.248 176.300 -0.107 0.000 1.074 198 R CA 0.602 56.641 56.100 -0.103 0.000 0.991 198 R CB -0.226 30.023 30.300 -0.085 0.000 0.883 198 R HN 0.480 nan 8.270 nan 0.000 0.457 199 Q N 0.080 119.770 119.800 -0.184 0.000 2.391 199 Q HA 0.108 4.448 4.340 0.001 0.000 0.211 199 Q C 0.784 176.731 176.000 -0.089 0.000 0.908 199 Q CA -0.063 55.664 55.803 -0.127 0.000 0.920 199 Q CB 0.217 28.898 28.738 -0.094 0.000 1.056 199 Q HN 0.011 nan 8.270 nan 0.000 0.523 200 S N 1.384 116.954 115.700 -0.217 0.000 2.554 200 S HA -0.048 4.422 4.470 0.001 0.000 0.290 200 S C 0.982 175.591 174.600 0.016 0.000 1.309 200 S CA 0.277 58.424 58.200 -0.088 0.000 1.047 200 S CB 0.647 63.769 63.200 -0.130 0.000 0.828 200 S HN 0.426 nan 8.310 nan 0.000 0.509 201 S N 2.808 118.544 115.700 0.059 0.000 2.597 201 S HA 0.397 4.868 4.470 0.001 0.000 0.224 201 S C 1.205 175.817 174.600 0.019 0.000 0.955 201 S CA 0.330 58.566 58.200 0.058 0.000 0.933 201 S CB -0.305 62.963 63.200 0.114 0.000 0.788 201 S HN 2.086 nan 8.310 nan 0.000 0.488 202 G N 1.677 110.468 108.800 -0.016 0.000 2.134 202 G HA2 -0.183 3.777 3.960 0.001 0.000 0.209 202 G HA3 -0.183 3.777 3.960 0.001 0.000 0.209 202 G C -0.144 174.721 174.900 -0.058 0.000 0.993 202 G CA -0.098 44.987 45.100 -0.025 0.000 0.669 202 G HN 0.555 nan 8.290 nan 0.000 0.519 203 N N 0.502 119.122 118.700 -0.133 0.000 2.679 203 N HA 0.260 5.000 4.740 0.001 0.000 0.302 203 N C 0.119 175.482 175.510 -0.245 0.000 1.941 203 N CA -0.253 52.657 53.050 -0.233 0.000 0.875 203 N CB 0.796 38.985 38.487 -0.498 0.000 1.278 203 N HN 0.316 nan 8.380 nan 0.000 0.490 204 L N 0.830 121.992 121.223 -0.101 0.000 2.360 204 L HA 0.291 4.632 4.340 0.001 0.000 0.276 204 L C 1.336 178.189 176.870 -0.028 0.000 1.121 204 L CA -0.019 54.799 54.840 -0.036 0.000 0.845 204 L CB 1.074 43.150 42.059 0.029 0.000 1.143 204 L HN 0.247 nan 8.230 nan 0.000 0.452 205 A N 2.883 125.694 122.820 -0.016 0.000 2.074 205 A HA 0.756 5.077 4.320 0.001 0.000 0.200 205 A C 0.618 178.217 177.584 0.026 0.000 1.335 205 A CA 0.751 52.788 52.037 -0.000 0.000 0.922 205 A CB 0.403 19.401 19.000 -0.003 0.000 0.972 205 A HN 0.748 nan 8.150 nan 0.000 0.475 206 A N -1.765 121.083 122.820 0.046 0.000 2.511 206 A HA 0.645 4.965 4.320 0.001 0.000 0.293 206 A C -2.024 175.633 177.584 0.122 0.000 1.098 206 A CA -0.359 51.722 52.037 0.074 0.000 0.643 206 A CB 0.316 19.331 19.000 0.024 0.000 1.302 206 A HN 0.852 nan 8.150 nan 0.000 0.446 207 F N 0.288 120.222 119.950 -0.026 0.000 2.561 207 F HA 0.710 5.238 4.527 0.001 0.000 0.313 207 F C -1.346 174.396 175.800 -0.097 0.000 1.126 207 F CA -0.960 57.010 58.000 -0.050 0.000 0.918 207 F CB 1.620 40.617 39.000 -0.005 0.000 1.199 207 F HN 0.467 nan 8.300 nan 0.000 0.444 208 I N 4.361 124.822 120.570 -0.181 0.000 2.412 208 I HA 0.877 5.048 4.170 0.001 0.000 0.296 208 I C -0.479 175.662 176.117 0.040 0.000 0.987 208 I CA -1.044 60.180 61.300 -0.126 0.000 1.180 208 I CB 1.332 39.039 38.000 -0.487 0.000 1.340 208 I HN 0.663 nan 8.210 nan 0.000 0.455 209 A N 3.739 126.694 122.820 0.226 0.000 2.520 209 A HA 0.732 5.053 4.320 0.001 0.000 0.298 209 A C -0.968 176.881 177.584 0.441 0.000 1.051 209 A CA -0.704 51.581 52.037 0.414 0.000 0.690 209 A CB 1.096 20.394 19.000 0.497 0.000 1.281 209 A HN 0.717 nan 8.150 nan 0.000 0.402 210 E N 2.331 122.851 120.200 0.534 0.000 2.249 210 E HA 0.340 4.691 4.350 0.001 0.000 0.280 210 E C -1.647 175.131 176.600 0.297 0.000 1.016 210 E CA -1.827 54.789 56.400 0.361 0.000 0.830 210 E CB 1.465 31.338 29.700 0.287 0.000 1.081 210 E HN 0.402 nan 8.360 nan 0.000 0.395 211 P HA -0.052 nan 4.420 nan 0.000 0.219 211 P C 0.016 177.375 177.300 0.098 0.000 1.150 211 P CA 1.212 64.410 63.100 0.164 0.000 0.814 211 P CB 0.457 32.237 31.700 0.133 0.000 0.787 212 I N -0.501 120.117 120.570 0.079 0.000 2.478 212 I HA 0.174 4.345 4.170 0.001 0.000 0.287 212 I C -0.642 175.489 176.117 0.023 0.000 1.042 212 I CA -1.261 60.051 61.300 0.020 0.000 1.067 212 I CB 2.203 40.211 38.000 0.012 0.000 1.233 212 I HN -0.325 nan 8.210 nan 0.000 0.431 213 L N 5.303 126.508 121.223 -0.030 0.000 2.454 213 L HA 0.129 4.470 4.340 0.001 0.000 0.284 213 L C 1.466 178.312 176.870 -0.039 0.000 1.139 213 L CA 0.734 55.560 54.840 -0.022 0.000 0.911 213 L CB 0.688 42.693 42.059 -0.090 0.000 1.262 213 L HN 0.645 nan 8.230 nan 0.000 0.453 214 S N 0.873 116.569 115.700 -0.006 0.000 2.338 214 S HA -0.150 4.320 4.470 0.001 0.000 0.218 214 S C 1.988 176.546 174.600 -0.070 0.000 1.032 214 S CA 1.805 59.985 58.200 -0.034 0.000 0.999 214 S CB 0.167 63.355 63.200 -0.019 0.000 0.905 214 S HN 0.764 nan 8.310 nan 0.000 0.439 215 S N 0.521 116.179 115.700 -0.071 0.000 2.423 215 S HA 0.010 4.480 4.470 0.001 0.000 0.231 215 S C 1.767 176.318 174.600 -0.083 0.000 1.014 215 S CA 0.883 59.010 58.200 -0.121 0.000 0.965 215 S CB -0.507 62.596 63.200 -0.162 0.000 0.785 215 S HN 0.638 nan 8.310 nan 0.000 0.495 216 G N 0.438 109.203 108.800 -0.059 0.000 2.990 216 G HA2 0.371 4.331 3.960 0.001 0.000 0.206 216 G HA3 0.371 4.331 3.960 0.001 0.000 0.206 216 G C 0.796 175.591 174.900 -0.175 0.000 1.169 216 G CA 0.178 45.221 45.100 -0.095 0.000 0.819 216 G HN 0.810 nan 8.290 nan 0.000 0.517 217 G N 0.743 109.454 108.800 -0.148 0.000 2.270 217 G HA2 -0.139 3.822 3.960 0.001 0.000 0.224 217 G HA3 -0.139 3.822 3.960 0.001 0.000 0.224 217 G C 0.392 175.202 174.900 -0.150 0.000 1.079 217 G CA -0.450 44.556 45.100 -0.156 0.000 0.807 217 G HN 0.852 nan 8.290 nan 0.000 0.492 218 I N -1.024 119.479 120.570 -0.111 0.000 6.390 218 I HA -0.227 3.943 4.170 0.001 0.000 0.126 218 I C 0.717 176.773 176.117 -0.101 0.000 1.533 218 I CA 0.571 61.823 61.300 -0.080 0.000 2.474 218 I CB -1.756 36.217 38.000 -0.045 0.000 2.913 218 I HN 0.477 nan 8.210 nan 0.000 0.284 219 I N 2.893 123.369 120.570 -0.157 0.000 2.337 219 I HA 0.199 4.370 4.170 0.001 0.000 0.285 219 I C 1.091 177.129 176.117 -0.133 0.000 1.041 219 I CA -0.256 60.925 61.300 -0.197 0.000 1.199 219 I CB 0.928 38.698 38.000 -0.382 0.000 1.370 219 I HN 0.280 nan 8.210 nan 0.000 0.470 220 E N 6.457 126.617 120.200 -0.067 0.000 2.290 220 E HA 0.252 4.603 4.350 0.001 0.000 0.277 220 E C -0.555 175.975 176.600 -0.117 0.000 1.035 220 E CA -0.560 55.803 56.400 -0.061 0.000 0.873 220 E CB 0.957 30.645 29.700 -0.021 0.000 1.029 220 E HN 0.491 nan 8.360 nan 0.000 0.419 221 L N 7.434 128.573 121.223 -0.139 0.000 2.500 221 L HA 0.136 4.476 4.340 0.001 0.000 0.272 221 L C -1.710 175.045 176.870 -0.192 0.000 1.149 221 L CA -1.634 53.063 54.840 -0.239 0.000 0.897 221 L CB -0.087 41.915 42.059 -0.094 0.000 1.178 221 L HN 0.406 nan 8.230 nan 0.000 0.473 222 P HA -0.040 nan 4.420 nan 0.000 0.271 222 P C -0.648 176.529 177.300 -0.205 0.000 1.238 222 P CA -0.348 62.516 63.100 -0.393 0.000 0.794 222 P CB 0.499 31.564 31.700 -1.058 0.000 0.959 223 D N -0.702 119.668 120.400 -0.049 0.000 2.493 223 D HA 0.299 4.940 4.640 0.001 0.000 0.240 223 D C 1.497 177.923 176.300 0.210 0.000 1.142 223 D CA 2.107 56.171 54.000 0.107 0.000 0.872 223 D CB -0.382 40.502 40.800 0.139 0.000 1.173 223 D HN 0.685 nan 8.370 nan 0.000 0.467 224 G N 2.211 111.105 108.800 0.156 0.000 2.184 224 G HA2 -0.418 3.543 3.960 0.001 0.000 0.264 224 G HA3 -0.418 3.543 3.960 0.001 0.000 0.264 224 G C 0.790 175.792 174.900 0.171 0.000 0.975 224 G CA 0.691 45.883 45.100 0.153 0.000 0.642 224 G HN 0.613 nan 8.290 nan 0.000 0.536 225 Y N 0.112 120.445 120.300 0.055 0.000 2.130 225 Y HA 0.165 4.716 4.550 0.001 0.000 0.287 225 Y C 2.843 178.757 175.900 0.023 0.000 1.124 225 Y CA 2.701 60.823 58.100 0.037 0.000 1.118 225 Y CB -0.334 38.088 38.460 -0.064 0.000 0.994 225 Y HN 0.282 nan 8.280 nan 0.000 0.497 226 M N 0.479 120.163 119.600 0.140 0.000 2.073 226 M HA -0.243 4.237 4.480 0.001 0.000 0.258 226 M C 2.335 178.580 176.300 -0.093 0.000 1.070 226 M CA 2.374 57.698 55.300 0.040 0.000 1.103 226 M CB -0.775 31.880 32.600 0.091 0.000 1.321 226 M HN 0.347 nan 8.290 nan 0.000 0.405 227 A N -0.378 122.411 122.820 -0.051 0.000 1.927 227 A HA -0.159 4.161 4.320 0.001 0.000 0.220 227 A C 2.322 179.828 177.584 -0.130 0.000 1.185 227 A CA 2.496 54.492 52.037 -0.069 0.000 0.639 227 A CB -1.508 17.475 19.000 -0.029 0.000 0.820 227 A HN 0.700 nan 8.150 nan 0.000 0.451 228 A N -1.051 121.665 122.820 -0.172 0.000 1.929 228 A HA 0.128 4.448 4.320 0.001 0.000 0.216 228 A C 2.101 179.477 177.584 -0.346 0.000 1.176 228 A CA 1.515 53.415 52.037 -0.229 0.000 0.628 228 A CB -0.510 18.362 19.000 -0.214 0.000 0.816 228 A HN 0.695 nan 8.150 nan 0.000 0.444 229 L N 0.168 121.116 121.223 -0.458 0.000 1.994 229 L HA -0.107 4.234 4.340 0.001 0.000 0.208 229 L C 2.256 178.890 176.870 -0.393 0.000 1.071 229 L CA 2.791 57.329 54.840 -0.503 0.000 0.745 229 L CB -0.693 41.055 42.059 -0.519 0.000 0.892 229 L HN 0.338 nan 8.230 nan 0.000 0.431 230 K N -0.279 119.958 120.400 -0.271 0.000 2.113 230 K HA -0.197 4.124 4.320 0.001 0.000 0.208 230 K C 2.251 178.726 176.600 -0.208 0.000 1.047 230 K CA 1.658 57.825 56.287 -0.199 0.000 0.928 230 K CB -0.222 32.202 32.500 -0.127 0.000 0.716 230 K HN 0.310 nan 8.250 nan 0.000 0.446 231 R N -0.198 120.167 120.500 -0.225 0.000 2.189 231 R HA 0.026 4.366 4.340 0.001 0.000 0.218 231 R C 1.822 177.952 176.300 -0.283 0.000 1.074 231 R CA 0.864 56.837 56.100 -0.211 0.000 0.991 231 R CB 0.080 30.277 30.300 -0.172 0.000 0.883 231 R HN 0.133 nan 8.270 nan 0.000 0.457 232 K N -0.165 119.982 120.400 -0.422 0.000 2.116 232 K HA -0.034 4.287 4.320 0.001 0.000 0.203 232 K C 2.089 178.372 176.600 -0.529 0.000 1.052 232 K CA 0.851 56.748 56.287 -0.651 0.000 0.952 232 K CB -0.035 31.727 32.500 -1.229 0.000 0.729 232 K HN 0.205 nan 8.250 nan 0.000 0.446 233 C N 1.445 120.522 119.300 -0.372 0.000 2.453 233 C HA -0.054 4.407 4.460 0.001 0.000 0.277 233 C C 2.505 177.412 174.990 -0.138 0.000 1.262 233 C CA 0.658 59.568 59.018 -0.180 0.000 1.718 233 C CB -0.668 27.004 27.740 -0.113 0.000 2.031 233 C HN 0.526 nan 8.230 nan 0.000 0.480 234 E N 1.080 121.191 120.200 -0.147 0.000 2.070 234 E HA -0.227 4.123 4.350 0.001 0.000 0.197 234 E C 2.300 178.838 176.600 -0.103 0.000 1.004 234 E CA 1.581 57.915 56.400 -0.109 0.000 0.805 234 E CB -0.283 29.355 29.700 -0.102 0.000 0.744 234 E HN 0.675 nan 8.360 nan 0.000 0.451 235 A N 0.744 123.483 122.820 -0.135 0.000 2.019 235 A HA -0.141 4.180 4.320 0.001 0.000 0.219 235 A C 1.899 179.429 177.584 -0.091 0.000 1.164 235 A CA 1.219 53.187 52.037 -0.116 0.000 0.644 235 A CB -0.179 18.735 19.000 -0.144 0.000 0.805 235 A HN 0.067 nan 8.150 nan 0.000 0.449 236 R N -2.086 118.360 120.500 -0.091 0.000 2.334 236 R HA 0.287 4.628 4.340 0.001 0.000 0.212 236 R C 1.150 177.433 176.300 -0.028 0.000 0.897 236 R CA 0.588 56.660 56.100 -0.046 0.000 1.056 236 R CB 0.292 30.585 30.300 -0.011 0.000 1.046 236 R HN 0.624 nan 8.270 nan 0.000 0.513 237 G N 0.910 109.689 108.800 -0.035 0.000 2.141 237 G HA2 -0.273 3.687 3.960 0.001 0.000 0.231 237 G HA3 -0.273 3.687 3.960 0.001 0.000 0.231 237 G C 0.089 174.982 174.900 -0.012 0.000 0.984 237 G CA -0.179 44.907 45.100 -0.024 0.000 0.660 237 G HN 0.113 nan 8.290 nan 0.000 0.525 238 M N 0.557 120.155 119.600 -0.003 0.000 2.342 238 M HA 0.587 5.067 4.480 0.001 0.000 0.332 238 M C 0.876 177.183 176.300 0.011 0.000 1.166 238 M CA -0.433 54.881 55.300 0.023 0.000 1.086 238 M CB 1.184 33.830 32.600 0.077 0.000 1.541 238 M HN 0.008 nan 8.290 nan 0.000 0.462 239 L N 2.129 123.364 121.223 0.020 0.000 2.421 239 L HA 0.519 4.860 4.340 0.001 0.000 0.263 239 L C -0.715 176.176 176.870 0.036 0.000 1.122 239 L CA -0.892 53.951 54.840 0.006 0.000 0.804 239 L CB 1.132 43.186 42.059 -0.008 0.000 1.150 239 L HN 0.530 nan 8.230 nan 0.000 0.457 240 L N 2.721 123.953 121.223 0.016 0.000 2.343 240 L HA 0.522 4.863 4.340 0.001 0.000 0.278 240 L C -0.699 176.186 176.870 0.025 0.000 0.996 240 L CA 0.106 54.971 54.840 0.041 0.000 0.831 240 L CB 1.189 43.244 42.059 -0.006 0.000 1.232 240 L HN 0.319 nan 8.230 nan 0.000 0.413 241 I N 5.916 126.511 120.570 0.043 0.000 2.354 241 I HA 0.345 4.515 4.170 0.001 0.000 0.292 241 I C -0.618 175.518 176.117 0.033 0.000 0.989 241 I CA -0.492 60.809 61.300 0.001 0.000 1.188 241 I CB 1.481 39.457 38.000 -0.041 0.000 1.342 241 I HN 0.440 nan 8.210 nan 0.000 0.457 242 L N 5.504 126.743 121.223 0.026 0.000 2.282 242 L HA 0.321 4.661 4.340 0.001 0.000 0.288 242 L C -0.349 176.563 176.870 0.070 0.000 1.033 242 L CA -0.471 54.413 54.840 0.073 0.000 0.807 242 L CB 1.440 43.539 42.059 0.066 0.000 1.209 242 L HN 0.547 nan 8.230 nan 0.000 0.423 243 D N 4.010 124.489 120.400 0.132 0.000 2.468 243 D HA 0.057 4.698 4.640 0.001 0.000 0.218 243 D C 0.133 176.529 176.300 0.160 0.000 1.155 243 D CA -0.053 54.038 54.000 0.151 0.000 0.924 243 D CB 0.604 41.567 40.800 0.273 0.000 1.029 243 D HN 0.443 nan 8.370 nan 0.000 0.515 244 E N 2.345 122.618 120.200 0.123 0.000 2.320 244 E HA 0.149 4.499 4.350 0.001 0.000 0.234 244 E C 1.039 177.722 176.600 0.138 0.000 1.290 244 E CA -0.340 56.147 56.400 0.144 0.000 1.545 244 E CB 0.649 30.458 29.700 0.181 0.000 1.379 244 E HN 0.493 nan 8.360 nan 0.000 0.437 245 A N 0.621 123.520 122.820 0.132 0.000 1.969 245 A HA -0.190 4.131 4.320 0.001 0.000 0.218 245 A C 1.987 179.629 177.584 0.097 0.000 1.169 245 A CA 1.215 53.323 52.037 0.118 0.000 0.635 245 A CB 0.112 19.197 19.000 0.142 0.000 0.810 245 A HN 0.246 nan 8.150 nan 0.000 0.445 246 Q N -1.861 117.995 119.800 0.094 0.000 2.316 246 Q HA 0.002 4.342 4.340 0.001 0.000 0.235 246 Q C 1.797 177.824 176.000 0.045 0.000 0.863 246 Q CA 1.011 56.850 55.803 0.059 0.000 0.939 246 Q CB 0.518 29.287 28.738 0.051 0.000 1.108 246 Q HN 0.816 nan 8.270 nan 0.000 0.522 247 T N -3.166 111.431 114.554 0.071 0.000 3.015 247 T HA 0.185 4.535 4.350 0.001 0.000 0.250 247 T C 1.029 175.775 174.700 0.076 0.000 1.057 247 T CA 0.298 62.437 62.100 0.065 0.000 1.066 247 T CB 0.287 69.205 68.868 0.084 0.000 0.959 247 T HN 0.109 nan 8.240 nan 0.000 0.488 248 G N 0.977 109.854 108.800 0.128 0.000 2.616 248 G HA2 0.433 4.393 3.960 0.001 0.000 0.268 248 G HA3 0.433 4.393 3.960 0.001 0.000 0.268 248 G C 0.204 175.098 174.900 -0.009 0.000 1.213 248 G CA 0.031 45.233 45.100 0.170 0.000 0.926 248 G HN 0.940 nan 8.290 nan 0.000 0.523 249 V N -0.521 119.279 119.914 -0.189 0.000 5.831 249 V HA -0.199 3.921 4.120 0.001 0.000 0.322 249 V C 1.899 177.884 176.094 -0.181 0.000 0.451 249 V CA 1.513 63.688 62.300 -0.207 0.000 0.687 249 V CB -2.099 29.670 31.823 -0.089 0.000 0.395 249 V HN 2.804 nan 8.190 nan 0.000 1.284 250 G N 0.000 108.670 108.800 -0.217 0.000 2.304 250 G HA2 -0.456 3.504 3.960 0.001 0.000 0.252 250 G HA3 -0.456 3.504 3.960 0.001 0.000 0.252 250 G C 0.852 175.693 174.900 -0.097 0.000 1.014 250 G CA 1.221 46.230 45.100 -0.151 0.000 0.619 250 G HN 1.074 nan 8.290 nan 0.000 0.525 251 R N 0.989 121.442 120.500 -0.080 0.000 2.174 251 R HA -0.149 4.192 4.340 0.001 0.000 0.253 251 R C 2.348 178.618 176.300 -0.051 0.000 1.165 251 R CA 2.702 58.766 56.100 -0.060 0.000 0.984 251 R CB -0.535 29.737 30.300 -0.047 0.000 0.873 251 R HN 0.750 nan 8.270 nan 0.000 0.456 252 T N -4.278 110.252 114.554 -0.041 0.000 3.176 252 T HA 0.357 4.707 4.350 0.001 0.000 0.263 252 T C 0.999 175.681 174.700 -0.030 0.000 1.021 252 T CA 0.110 62.194 62.100 -0.028 0.000 0.905 252 T CB 0.995 69.859 68.868 -0.006 0.000 1.057 252 T HN 0.432 nan 8.240 nan 0.000 0.558 253 G N 1.129 109.903 108.800 -0.044 0.000 2.176 253 G HA2 -0.170 3.790 3.960 0.001 0.000 0.232 253 G HA3 -0.170 3.790 3.960 0.001 0.000 0.232 253 G C 0.178 175.052 174.900 -0.043 0.000 0.986 253 G CA 0.169 45.245 45.100 -0.040 0.000 0.643 253 G HN 1.300 nan 8.290 nan 0.000 0.522 254 T N -3.611 110.910 114.554 -0.055 0.000 2.883 254 T HA 0.705 5.056 4.350 0.001 0.000 0.296 254 T C 1.206 175.817 174.700 -0.149 0.000 1.117 254 T CA -0.154 61.907 62.100 -0.065 0.000 1.006 254 T CB 1.683 70.541 68.868 -0.016 0.000 1.191 254 T HN -0.104 nan 8.240 nan 0.000 0.508 255 M N 0.003 119.465 119.600 -0.231 0.000 2.065 255 M HA 0.183 4.663 4.480 0.001 0.000 0.259 255 M C -0.368 175.435 176.300 -0.830 0.000 1.069 255 M CA 1.578 56.544 55.300 -0.556 0.000 1.110 255 M CB -0.925 31.266 32.600 -0.681 0.000 1.328 255 M HN 0.672 nan 8.290 nan 0.000 0.405 256 F N -1.881 118.071 119.950 0.003 0.000 2.540 256 F HA 0.486 5.013 4.527 0.001 0.000 0.317 256 F C 1.012 176.821 175.800 0.015 0.000 1.104 256 F CA -0.767 57.239 58.000 0.010 0.000 0.913 256 F CB 0.678 39.684 39.000 0.011 0.000 1.170 256 F HN -0.005 nan 8.300 nan 0.000 0.450 257 A N 0.922 123.858 122.820 0.193 0.000 1.978 257 A HA -0.214 4.106 4.320 0.001 0.000 0.220 257 A C 2.157 179.815 177.584 0.124 0.000 1.170 257 A CA 1.963 54.073 52.037 0.121 0.000 0.636 257 A CB -1.376 17.686 19.000 0.103 0.000 0.810 257 A HN 1.056 nan 8.150 nan 0.000 0.448 258 C N -0.972 118.419 119.300 0.152 0.000 2.409 258 C HA -0.112 4.348 4.460 0.001 0.000 0.288 258 C C 2.348 177.398 174.990 0.099 0.000 1.395 258 C CA 1.029 60.112 59.018 0.109 0.000 1.792 258 C CB -1.836 25.949 27.740 0.076 0.000 1.847 258 C HN 0.656 nan 8.230 nan 0.000 0.534 259 Q N 0.499 120.375 119.800 0.127 0.000 2.224 259 Q HA -0.123 4.218 4.340 0.001 0.000 0.203 259 Q C 2.468 178.506 176.000 0.063 0.000 0.970 259 Q CA 1.335 57.196 55.803 0.096 0.000 0.865 259 Q CB -0.197 28.605 28.738 0.107 0.000 0.922 259 Q HN 0.762 nan 8.270 nan 0.000 0.445 260 R N 1.109 121.644 120.500 0.059 0.000 2.082 260 R HA -0.150 4.190 4.340 0.001 0.000 0.228 260 R C 1.675 178.001 176.300 0.043 0.000 1.140 260 R CA 1.950 58.076 56.100 0.044 0.000 0.920 260 R CB -0.078 30.247 30.300 0.041 0.000 0.828 260 R HN 0.232 nan 8.270 nan 0.000 0.430 261 D N -0.998 119.432 120.400 0.050 0.000 2.265 261 D HA -0.084 4.556 4.640 0.001 0.000 0.208 261 D C 0.814 177.137 176.300 0.037 0.000 0.977 261 D CA 1.496 55.524 54.000 0.047 0.000 0.871 261 D CB -0.030 40.804 40.800 0.057 0.000 0.925 261 D HN 0.657 nan 8.370 nan 0.000 0.485 262 G N 0.620 109.443 108.800 0.037 0.000 2.176 262 G HA2 -0.262 3.698 3.960 0.001 0.000 0.252 262 G HA3 -0.262 3.698 3.960 0.001 0.000 0.252 262 G C 0.091 175.001 174.900 0.017 0.000 1.024 262 G CA 0.128 45.244 45.100 0.027 0.000 0.755 262 G HN 0.289 nan 8.290 nan 0.000 0.507 263 V N 1.332 121.258 119.914 0.020 0.000 2.350 263 V HA 0.644 4.765 4.120 0.001 0.000 0.285 263 V C 0.733 176.828 176.094 0.002 0.000 1.014 263 V CA 0.062 62.365 62.300 0.004 0.000 0.831 263 V CB 1.624 33.448 31.823 0.003 0.000 1.000 263 V HN 0.712 nan 8.190 nan 0.000 0.433 264 T N 6.533 121.081 114.554 -0.011 0.000 2.817 264 T HA 0.520 4.871 4.350 0.001 0.000 0.293 264 T C -1.859 172.822 174.700 -0.032 0.000 0.964 264 T CA -1.364 60.724 62.100 -0.021 0.000 1.085 264 T CB 1.498 70.350 68.868 -0.027 0.000 0.921 264 T HN 0.484 nan 8.240 nan 0.000 0.502 265 P HA 0.341 nan 4.420 nan 0.000 0.277 265 P C 0.248 177.518 177.300 -0.050 0.000 1.276 265 P CA -0.348 62.731 63.100 -0.036 0.000 0.788 265 P CB 0.815 32.497 31.700 -0.030 0.000 1.114 266 D N -0.905 119.467 120.400 -0.046 0.000 2.216 266 D HA 0.131 4.771 4.640 0.001 0.000 0.208 266 D C 0.589 176.847 176.300 -0.070 0.000 0.960 266 D CA 1.259 55.227 54.000 -0.054 0.000 0.861 266 D CB 0.381 41.154 40.800 -0.045 0.000 0.985 266 D HN 0.307 nan 8.370 nan 0.000 0.493 267 I N 0.957 121.485 120.570 -0.070 0.000 2.619 267 I HA 0.259 4.430 4.170 0.001 0.000 0.292 267 I C -1.170 174.897 176.117 -0.085 0.000 1.100 267 I CA -0.975 60.272 61.300 -0.089 0.000 1.043 267 I CB 2.976 40.920 38.000 -0.093 0.000 1.239 267 I HN -0.224 nan 8.210 nan 0.000 0.420 268 L N 5.788 126.944 121.223 -0.111 0.000 2.341 268 L HA 0.731 5.072 4.340 0.001 0.000 0.278 268 L C -0.175 176.632 176.870 -0.105 0.000 1.005 268 L CA 0.173 54.941 54.840 -0.119 0.000 0.818 268 L CB 2.024 43.957 42.059 -0.209 0.000 1.259 268 L HN 0.731 nan 8.230 nan 0.000 0.418 269 T N 3.393 117.912 114.554 -0.058 0.000 2.807 269 T HA 0.745 5.095 4.350 0.001 0.000 0.279 269 T C -0.467 174.237 174.700 0.006 0.000 0.993 269 T CA -0.622 61.457 62.100 -0.035 0.000 0.970 269 T CB 0.880 69.729 68.868 -0.031 0.000 0.950 269 T HN 0.548 nan 8.240 nan 0.000 0.441 270 L N 2.471 123.701 121.223 0.011 0.000 2.319 270 L HA 0.821 5.161 4.340 0.001 0.000 0.267 270 L C 0.618 177.519 176.870 0.052 0.000 1.011 270 L CA -0.755 54.118 54.840 0.055 0.000 0.818 270 L CB 2.145 44.252 42.059 0.081 0.000 1.316 270 L HN 0.830 nan 8.230 nan 0.000 0.432 271 S N -0.901 114.839 115.700 0.067 0.000 5.086 271 S HA 0.145 4.616 4.470 0.001 0.000 0.156 271 S C 1.084 175.714 174.600 0.050 0.000 1.290 271 S CA -0.409 57.826 58.200 0.058 0.000 1.070 271 S CB 0.021 63.267 63.200 0.076 0.000 2.069 271 S HN 0.579 nan 8.310 nan 0.000 0.699 272 K N 1.137 121.571 120.400 0.056 0.000 2.032 272 K HA -0.191 4.130 4.320 0.001 0.000 0.218 272 K C 2.001 178.612 176.600 0.019 0.000 1.054 272 K CA 2.343 58.654 56.287 0.040 0.000 0.941 272 K CB -0.784 31.744 32.500 0.047 0.000 0.720 272 K HN 0.703 nan 8.250 nan 0.000 0.449 273 T N -0.385 114.181 114.554 0.021 0.000 3.055 273 T HA -0.023 4.327 4.350 0.001 0.000 0.265 273 T C 1.807 176.506 174.700 -0.001 0.000 1.111 273 T CA 0.415 62.515 62.100 -0.000 0.000 1.118 273 T CB -0.037 68.831 68.868 -0.001 0.000 0.909 273 T HN 0.034 nan 8.240 nan 0.000 0.501 274 L N 1.854 123.090 121.223 0.021 0.000 2.072 274 L HA 0.362 4.703 4.340 0.001 0.000 0.205 274 L C 2.578 179.447 176.870 -0.002 0.000 1.079 274 L CA 1.800 56.651 54.840 0.020 0.000 0.752 274 L CB -0.906 41.178 42.059 0.041 0.000 0.906 274 L HN 0.367 nan 8.230 nan 0.000 0.436 275 G N -1.979 106.821 108.800 -0.000 0.000 2.572 275 G HA2 0.115 4.076 3.960 0.001 0.000 0.216 275 G HA3 0.115 4.076 3.960 0.001 0.000 0.216 275 G C 1.112 176.000 174.900 -0.020 0.000 1.133 275 G CA 0.504 45.599 45.100 -0.009 0.000 0.791 275 G HN 0.797 nan 8.290 nan 0.000 0.538 276 A N -1.704 121.100 122.820 -0.027 0.000 2.829 276 A HA 0.130 4.450 4.320 0.001 0.000 0.267 276 A C 1.919 179.476 177.584 -0.044 0.000 1.370 276 A CA 2.179 54.188 52.037 -0.047 0.000 0.900 276 A CB -1.489 17.475 19.000 -0.061 0.000 1.044 276 A HN 2.201 nan 8.150 nan 0.000 0.691 277 G N -3.649 105.137 108.800 -0.023 0.000 2.624 277 G HA2 0.154 4.114 3.960 0.001 0.000 0.190 277 G HA3 0.154 4.114 3.960 0.001 0.000 0.190 277 G C 0.014 174.919 174.900 0.008 0.000 1.008 277 G CA 0.213 45.308 45.100 -0.008 0.000 0.731 277 G HN 1.112 nan 8.290 nan 0.000 0.478 278 L N 1.871 123.095 121.223 0.002 0.000 2.416 278 L HA 0.662 5.003 4.340 0.001 0.000 0.263 278 L C -1.876 174.993 176.870 -0.003 0.000 1.065 278 L CA -2.050 52.790 54.840 -0.000 0.000 0.798 278 L CB 1.009 43.065 42.059 -0.005 0.000 1.267 278 L HN -0.070 nan 8.230 nan 0.000 0.467 279 P HA 0.339 nan 4.420 nan 0.000 0.245 279 P C -1.290 176.003 177.300 -0.013 0.000 1.740 279 P CA -0.227 62.864 63.100 -0.014 0.000 1.125 279 P CB 0.694 32.374 31.700 -0.032 0.000 1.747 280 L N 2.381 123.605 121.223 0.001 0.000 2.409 280 L HA 0.918 5.258 4.340 0.001 0.000 0.262 280 L C -1.423 175.457 176.870 0.018 0.000 0.992 280 L CA -0.723 54.120 54.840 0.005 0.000 0.817 280 L CB 2.259 44.315 42.059 -0.005 0.000 1.350 280 L HN 0.402 nan 8.230 nan 0.000 0.411 281 A N 2.685 125.518 122.820 0.021 0.000 2.601 281 A HA 1.032 5.352 4.320 0.001 0.000 0.291 281 A C -1.679 175.912 177.584 0.011 0.000 1.075 281 A CA -0.020 52.030 52.037 0.022 0.000 0.671 281 A CB 1.225 20.243 19.000 0.030 0.000 1.277 281 A HN 1.815 nan 8.150 nan 0.000 0.417 282 A N -0.291 122.529 122.820 -0.001 0.000 2.599 282 A HA 0.836 5.157 4.320 0.001 0.000 0.290 282 A C -1.216 176.341 177.584 -0.046 0.000 1.101 282 A CA 0.163 52.188 52.037 -0.020 0.000 0.674 282 A CB 0.689 19.682 19.000 -0.013 0.000 1.277 282 A HN 2.341 nan 8.150 nan 0.000 0.419 283 I N -1.385 119.146 120.570 -0.067 0.000 2.545 283 I HA 0.845 5.016 4.170 0.001 0.000 0.292 283 I C -1.430 174.629 176.117 -0.096 0.000 1.040 283 I CA -0.987 60.258 61.300 -0.092 0.000 1.068 283 I CB 2.149 40.077 38.000 -0.120 0.000 1.251 283 I HN 0.309 nan 8.210 nan 0.000 0.424 284 V N 4.824 124.668 119.914 -0.116 0.000 2.448 284 V HA 0.667 4.787 4.120 0.001 0.000 0.295 284 V C 0.079 176.100 176.094 -0.123 0.000 1.025 284 V CA -0.216 62.012 62.300 -0.121 0.000 0.859 284 V CB 1.479 33.209 31.823 -0.155 0.000 0.988 284 V HN 0.952 nan 8.190 nan 0.000 0.431 285 T N 2.104 116.593 114.554 -0.109 0.000 2.838 285 T HA 0.554 4.904 4.350 0.001 0.000 0.292 285 T C -0.146 174.502 174.700 -0.088 0.000 1.113 285 T CA -0.103 61.934 62.100 -0.106 0.000 1.008 285 T CB 1.952 70.745 68.868 -0.124 0.000 1.259 285 T HN 0.952 nan 8.240 nan 0.000 0.520 286 S N 1.143 116.796 115.700 -0.080 0.000 2.584 286 S HA 0.559 5.029 4.470 0.001 0.000 0.273 286 S C 1.653 176.219 174.600 -0.058 0.000 1.311 286 S CA -0.062 58.100 58.200 -0.063 0.000 1.034 286 S CB 1.004 64.171 63.200 -0.055 0.000 0.939 286 S HN 0.972 nan 8.310 nan 0.000 0.513 287 A N 2.981 125.773 122.820 -0.046 0.000 1.940 287 A HA 0.079 4.399 4.320 0.001 0.000 0.219 287 A C 2.391 179.955 177.584 -0.033 0.000 1.176 287 A CA 1.890 53.904 52.037 -0.039 0.000 0.631 287 A CB -1.635 17.346 19.000 -0.030 0.000 0.814 287 A HN 1.415 nan 8.150 nan 0.000 0.446 288 A N -0.157 122.644 122.820 -0.032 0.000 1.908 288 A HA -0.102 4.219 4.320 0.001 0.000 0.218 288 A C 2.128 179.693 177.584 -0.031 0.000 1.181 288 A CA 1.617 53.638 52.037 -0.026 0.000 0.627 288 A CB -0.547 18.438 19.000 -0.026 0.000 0.818 288 A HN 0.518 nan 8.150 nan 0.000 0.445 289 I N -0.965 119.576 120.570 -0.048 0.000 2.286 289 I HA -0.160 4.011 4.170 0.001 0.000 0.245 289 I C 2.610 178.682 176.117 -0.075 0.000 1.104 289 I CA 1.257 62.519 61.300 -0.064 0.000 1.397 289 I CB -0.271 37.680 38.000 -0.082 0.000 1.072 289 I HN 0.394 nan 8.210 nan 0.000 0.417 290 E N 1.241 121.395 120.200 -0.076 0.000 2.077 290 E HA -0.235 4.115 4.350 0.001 0.000 0.193 290 E C 1.927 178.524 176.600 -0.006 0.000 0.989 290 E CA 1.297 57.654 56.400 -0.072 0.000 0.800 290 E CB 0.051 29.706 29.700 -0.074 0.000 0.746 290 E HN 0.401 nan 8.360 nan 0.000 0.452 291 E N 0.370 120.573 120.200 0.005 0.000 2.085 291 E HA -0.189 4.161 4.350 0.001 0.000 0.194 291 E C 2.191 178.834 176.600 0.071 0.000 0.994 291 E CA 0.666 57.096 56.400 0.049 0.000 0.801 291 E CB -0.216 29.500 29.700 0.027 0.000 0.743 291 E HN 0.071 nan 8.360 nan 0.000 0.453 292 R N 0.621 121.137 120.500 0.028 0.000 2.075 292 R HA 0.021 4.361 4.340 0.001 0.000 0.232 292 R C 2.101 178.418 176.300 0.028 0.000 1.126 292 R CA 1.231 57.343 56.100 0.020 0.000 0.963 292 R CB -0.652 29.646 30.300 -0.003 0.000 0.858 292 R HN 0.140 nan 8.270 nan 0.000 0.435 293 A N -0.352 122.473 122.820 0.009 0.000 1.902 293 A HA -0.220 4.100 4.320 0.001 0.000 0.217 293 A C 2.091 179.753 177.584 0.131 0.000 1.181 293 A CA 1.921 53.970 52.037 0.021 0.000 0.623 293 A CB -0.823 18.081 19.000 -0.161 0.000 0.818 293 A HN 0.535 nan 8.150 nan 0.000 0.443 294 H N 0.260 119.359 119.070 0.049 0.000 2.319 294 H HA -0.118 4.438 4.556 0.001 0.000 0.299 294 H C 1.893 177.259 175.328 0.063 0.000 1.092 294 H CA 2.155 58.250 56.048 0.078 0.000 1.302 294 H CB -0.176 29.618 29.762 0.054 0.000 1.373 294 H HN 0.640 nan 8.280 nan 0.000 0.497 295 E N -0.468 119.715 120.200 -0.028 0.000 2.153 295 E HA -0.123 4.228 4.350 0.001 0.000 0.194 295 E C 1.333 177.884 176.600 -0.083 0.000 0.988 295 E CA 0.710 57.051 56.400 -0.097 0.000 0.811 295 E CB 0.078 29.769 29.700 -0.015 0.000 0.746 295 E HN 0.311 nan 8.360 nan 0.000 0.466 296 L N -0.387 120.822 121.223 -0.024 0.000 2.599 296 L HA 0.155 4.495 4.340 0.001 0.000 0.230 296 L C 1.267 178.143 176.870 0.011 0.000 1.141 296 L CA 1.120 55.962 54.840 0.002 0.000 0.877 296 L CB -0.430 41.651 42.059 0.037 0.000 1.009 296 L HN 0.271 nan 8.230 nan 0.000 0.447 297 G N -1.457 107.334 108.800 -0.015 0.000 2.142 297 G HA2 -0.360 3.600 3.960 0.001 0.000 0.225 297 G HA3 -0.360 3.600 3.960 0.001 0.000 0.225 297 G C 0.237 175.194 174.900 0.095 0.000 1.015 297 G CA 0.020 45.123 45.100 0.005 0.000 0.716 297 G HN 0.271 nan 8.290 nan 0.000 0.508 298 Y N -0.492 119.832 120.300 0.039 0.000 2.904 298 Y HA 0.336 4.886 4.550 0.000 0.000 0.336 298 Y C 0.267 176.233 175.900 0.110 0.000 1.263 298 Y CA 0.614 58.762 58.100 0.081 0.000 1.547 298 Y CB 0.372 38.889 38.460 0.095 0.000 1.272 298 Y HN 0.536 nan 8.280 nan 0.000 0.596 299 L N 7.879 128.766 121.223 -0.560 0.000 2.439 299 L HA 0.460 4.800 4.340 0.001 0.000 0.270 299 L C -1.923 174.669 176.870 -0.465 0.000 0.972 299 L CA -0.428 54.180 54.840 -0.386 0.000 0.836 299 L CB 1.245 43.197 42.059 -0.178 0.000 1.255 299 L HN 0.648 nan 8.230 nan 0.000 0.404 300 F N 5.354 125.057 119.950 -0.413 0.000 2.824 300 F HA 0.334 4.861 4.527 0.000 0.000 0.368 300 F C -1.639 174.130 175.800 -0.051 0.000 1.398 300 F CA -0.355 57.507 58.000 -0.230 0.000 1.142 300 F CB 0.475 39.358 39.000 -0.195 0.000 1.997 300 F HN 0.406 nan 8.300 nan 0.000 0.598 301 Y N 2.430 122.565 120.300 -0.276 0.000 2.328 301 Y HA 0.558 5.108 4.550 0.001 0.000 0.337 301 Y C 0.424 176.171 175.900 -0.256 0.000 1.008 301 Y CA -0.239 57.743 58.100 -0.197 0.000 1.129 301 Y CB 1.023 39.377 38.460 -0.176 0.000 1.185 301 Y HN 0.450 nan 8.280 nan 0.000 0.476 302 T N -0.554 113.911 114.554 -0.148 0.000 2.858 302 T HA 0.318 4.668 4.350 0.001 0.000 0.285 302 T C 0.665 175.274 174.700 -0.152 0.000 1.052 302 T CA -0.308 61.730 62.100 -0.104 0.000 1.009 302 T CB 1.431 70.273 68.868 -0.044 0.000 1.241 302 T HN 0.438 nan 8.240 nan 0.000 0.542 303 T N 0.140 114.605 114.554 -0.148 0.000 2.896 303 T HA 0.019 4.369 4.350 0.001 0.000 0.263 303 T C 1.154 175.635 174.700 -0.364 0.000 1.050 303 T CA 0.943 62.873 62.100 -0.283 0.000 1.140 303 T CB -0.334 68.256 68.868 -0.464 0.000 0.877 303 T HN 0.700 nan 8.240 nan 0.000 0.457 304 H N -0.041 119.054 119.070 0.041 0.000 2.549 304 H HA 0.399 4.955 4.556 0.001 0.000 0.279 304 H C 0.597 175.916 175.328 -0.015 0.000 1.018 304 H CA -0.338 55.739 56.048 0.048 0.000 1.175 304 H CB -0.166 29.641 29.762 0.074 0.000 1.485 304 H HN 0.158 nan 8.280 nan 0.000 0.543 305 V N 2.221 122.131 119.914 -0.006 0.000 2.599 305 V HA -0.063 4.057 4.120 0.001 0.000 0.300 305 V C 0.230 176.270 176.094 -0.089 0.000 1.034 305 V CA 0.476 62.751 62.300 -0.040 0.000 1.115 305 V CB 0.353 32.105 31.823 -0.118 0.000 0.934 305 V HN 0.676 nan 8.190 nan 0.000 0.485 306 S N 3.620 119.289 115.700 -0.051 0.000 3.711 306 S HA -0.155 4.315 4.470 0.001 0.000 0.374 306 S C -0.406 174.158 174.600 -0.060 0.000 0.969 306 S CA 0.822 58.983 58.200 -0.065 0.000 1.198 306 S CB -1.274 61.863 63.200 -0.106 0.000 0.903 306 S HN 0.940 nan 8.310 nan 0.000 0.493 307 D N 0.933 121.326 120.400 -0.012 0.000 2.233 307 D HA 0.396 5.036 4.640 0.001 0.000 0.240 307 D C -1.006 175.298 176.300 0.006 0.000 1.074 307 D CA -2.033 51.976 54.000 0.016 0.000 0.838 307 D CB 1.329 42.210 40.800 0.136 0.000 1.124 307 D HN 0.031 nan 8.370 nan 0.000 0.475 308 P HA -0.240 nan 4.420 nan 0.000 0.214 308 P C 1.832 179.083 177.300 -0.082 0.000 1.164 308 P CA 0.881 63.975 63.100 -0.010 0.000 0.942 308 P CB 0.386 32.131 31.700 0.074 0.000 0.791 309 L N -0.505 120.712 121.223 -0.009 0.000 1.976 309 L HA -0.197 4.143 4.340 0.001 0.000 0.223 309 L C -0.449 176.363 176.870 -0.098 0.000 1.081 309 L CA 3.199 58.017 54.840 -0.036 0.000 0.784 309 L CB -1.946 40.149 42.059 0.059 0.000 0.896 309 L HN 0.080 nan 8.230 nan 0.000 0.438 310 P HA -0.186 nan 4.420 nan 0.000 0.215 310 P C 1.358 178.611 177.300 -0.079 0.000 1.157 310 P CA 2.081 65.151 63.100 -0.051 0.000 0.868 310 P CB -0.200 31.486 31.700 -0.023 0.000 0.788 311 A N 0.232 123.001 122.820 -0.085 0.000 1.917 311 A HA -0.193 4.127 4.320 0.001 0.000 0.219 311 A C 2.398 179.891 177.584 -0.153 0.000 1.182 311 A CA 2.550 54.530 52.037 -0.095 0.000 0.633 311 A CB -1.686 17.263 19.000 -0.086 0.000 0.819 311 A HN 0.217 nan 8.150 nan 0.000 0.448 312 A N -0.749 121.908 122.820 -0.271 0.000 1.933 312 A HA -0.002 4.318 4.320 0.001 0.000 0.218 312 A C 2.237 179.672 177.584 -0.248 0.000 1.175 312 A CA 1.819 53.602 52.037 -0.423 0.000 0.628 312 A CB -0.869 17.487 19.000 -1.073 0.000 0.814 312 A HN 0.409 nan 8.150 nan 0.000 0.444 313 V N -0.190 119.622 119.914 -0.170 0.000 2.307 313 V HA -0.164 3.956 4.120 0.001 0.000 0.245 313 V C 2.822 178.875 176.094 -0.068 0.000 1.045 313 V CA 1.940 64.187 62.300 -0.087 0.000 1.024 313 V CB -1.400 30.391 31.823 -0.053 0.000 0.651 313 V HN 0.607 nan 8.190 nan 0.000 0.449 314 G N -0.295 108.466 108.800 -0.065 0.000 2.432 314 G HA2 -0.241 3.720 3.960 0.001 0.000 0.219 314 G HA3 -0.241 3.720 3.960 0.001 0.000 0.219 314 G C 1.553 176.427 174.900 -0.043 0.000 1.135 314 G CA 1.010 46.083 45.100 -0.045 0.000 0.767 314 G HN 0.406 nan 8.290 nan 0.000 0.550 315 L N 0.761 121.951 121.223 -0.055 0.000 2.046 315 L HA 0.090 4.431 4.340 0.001 0.000 0.208 315 L C 2.719 179.569 176.870 -0.034 0.000 1.077 315 L CA 1.931 56.748 54.840 -0.040 0.000 0.747 315 L CB -0.703 41.328 42.059 -0.047 0.000 0.896 315 L HN 0.225 nan 8.230 nan 0.000 0.432 316 R N -0.738 119.739 120.500 -0.039 0.000 2.091 316 R HA -0.123 4.218 4.340 0.001 0.000 0.238 316 R C 2.081 178.346 176.300 -0.060 0.000 1.136 316 R CA 2.042 58.123 56.100 -0.032 0.000 0.959 316 R CB -1.051 29.238 30.300 -0.017 0.000 0.856 316 R HN 0.279 nan 8.270 nan 0.000 0.437 317 V N 1.051 120.922 119.914 -0.070 0.000 2.282 317 V HA -0.288 3.832 4.120 0.001 0.000 0.249 317 V C 2.273 178.318 176.094 -0.083 0.000 1.057 317 V CA 2.246 64.489 62.300 -0.094 0.000 1.032 317 V CB -0.524 31.255 31.823 -0.074 0.000 0.645 317 V HN 0.336 nan 8.190 nan 0.000 0.447 318 L N -0.544 120.646 121.223 -0.054 0.000 2.156 318 L HA -0.104 4.237 4.340 0.001 0.000 0.208 318 L C 2.256 179.101 176.870 -0.042 0.000 1.095 318 L CA 1.243 56.055 54.840 -0.046 0.000 0.770 318 L CB -0.846 41.200 42.059 -0.021 0.000 0.914 318 L HN 0.287 nan 8.230 nan 0.000 0.439 319 D N 0.292 120.671 120.400 -0.034 0.000 2.117 319 D HA -0.158 4.482 4.640 0.001 0.000 0.198 319 D C 2.361 178.644 176.300 -0.029 0.000 0.982 319 D CA 1.692 55.679 54.000 -0.022 0.000 0.828 319 D CB -0.233 40.562 40.800 -0.007 0.000 0.967 319 D HN 0.286 nan 8.370 nan 0.000 0.464 320 V N 0.203 120.085 119.914 -0.053 0.000 2.295 320 V HA -0.212 3.908 4.120 0.001 0.000 0.246 320 V C 2.293 178.352 176.094 -0.058 0.000 1.049 320 V CA 1.494 63.757 62.300 -0.063 0.000 1.024 320 V CB -0.712 31.045 31.823 -0.109 0.000 0.648 320 V HN 0.023 nan 8.190 nan 0.000 0.447 321 V N 0.257 120.126 119.914 -0.076 0.000 2.282 321 V HA -0.332 3.789 4.120 0.001 0.000 0.249 321 V C 2.687 178.748 176.094 -0.055 0.000 1.057 321 V CA 2.753 65.009 62.300 -0.073 0.000 1.032 321 V CB -0.928 30.841 31.823 -0.091 0.000 0.645 321 V HN 0.679 nan 8.190 nan 0.000 0.447 322 Q N 0.298 120.069 119.800 -0.048 0.000 1.948 322 Q HA -0.243 4.098 4.340 0.001 0.000 0.205 322 Q C 2.393 178.380 176.000 -0.022 0.000 0.992 322 Q CA 2.615 58.398 55.803 -0.035 0.000 0.849 322 Q CB -0.330 28.393 28.738 -0.025 0.000 0.918 322 Q HN 0.756 nan 8.270 nan 0.000 0.421 323 R N 0.050 120.542 120.500 -0.012 0.000 2.103 323 R HA -0.157 4.184 4.340 0.001 0.000 0.234 323 R C 1.386 177.686 176.300 0.001 0.000 1.132 323 R CA 1.856 57.956 56.100 -0.001 0.000 0.925 323 R CB -1.090 29.215 30.300 0.009 0.000 0.842 323 R HN 0.202 nan 8.270 nan 0.000 0.430 324 D N 0.600 121.002 120.400 0.004 0.000 2.403 324 D HA 0.037 4.678 4.640 0.001 0.000 0.227 324 D C 0.787 177.086 176.300 -0.001 0.000 0.995 324 D CA 1.341 55.347 54.000 0.011 0.000 0.928 324 D CB -0.401 40.417 40.800 0.030 0.000 0.887 324 D HN 0.669 nan 8.370 nan 0.000 0.529 325 G N 1.054 109.846 108.800 -0.013 0.000 2.366 325 G HA2 -0.315 3.646 3.960 0.001 0.000 0.299 325 G HA3 -0.315 3.646 3.960 0.001 0.000 0.299 325 G C 0.898 175.783 174.900 -0.025 0.000 1.020 325 G CA 0.219 45.307 45.100 -0.020 0.000 1.026 325 G HN 0.433 nan 8.290 nan 0.000 0.512 326 L N -0.902 120.301 121.223 -0.033 0.000 2.376 326 L HA -0.041 4.299 4.340 0.001 0.000 0.219 326 L C 2.705 179.545 176.870 -0.051 0.000 1.133 326 L CA 0.590 55.407 54.840 -0.038 0.000 0.816 326 L CB -0.197 41.836 42.059 -0.045 0.000 0.933 326 L HN 0.352 nan 8.230 nan 0.000 0.449 327 V N -0.154 119.724 119.914 -0.060 0.000 2.809 327 V HA -0.160 3.960 4.120 0.001 0.000 0.256 327 V C 2.515 178.579 176.094 -0.050 0.000 1.080 327 V CA 1.561 63.820 62.300 -0.069 0.000 1.102 327 V CB -0.249 31.521 31.823 -0.087 0.000 0.705 327 V HN 0.469 nan 8.190 nan 0.000 0.475 328 A N -0.462 122.335 122.820 -0.038 0.000 1.943 328 A HA -0.056 4.265 4.320 0.001 0.000 0.213 328 A C 2.355 179.924 177.584 -0.025 0.000 1.181 328 A CA 0.891 52.912 52.037 -0.028 0.000 0.653 328 A CB -0.396 18.592 19.000 -0.020 0.000 0.833 328 A HN 0.380 nan 8.150 nan 0.000 0.451 329 R N -0.245 120.241 120.500 -0.024 0.000 2.103 329 R HA -0.181 4.159 4.340 0.001 0.000 0.242 329 R C 2.338 178.620 176.300 -0.029 0.000 1.142 329 R CA 1.356 57.444 56.100 -0.021 0.000 0.960 329 R CB -0.394 29.896 30.300 -0.017 0.000 0.858 329 R HN 0.490 nan 8.270 nan 0.000 0.439 330 A N 1.138 123.935 122.820 -0.039 0.000 1.986 330 A HA -0.217 4.103 4.320 0.001 0.000 0.220 330 A C 1.736 179.295 177.584 -0.043 0.000 1.171 330 A CA 1.764 53.772 52.037 -0.048 0.000 0.640 330 A CB -0.485 18.482 19.000 -0.056 0.000 0.811 330 A HN 0.381 nan 8.150 nan 0.000 0.451 331 N N -0.441 118.239 118.700 -0.033 0.000 2.290 331 N HA -0.041 4.699 4.740 0.001 0.000 0.179 331 N C 1.751 177.249 175.510 -0.021 0.000 1.016 331 N CA 1.414 54.449 53.050 -0.026 0.000 0.871 331 N CB -0.127 38.348 38.487 -0.020 0.000 0.987 331 N HN 0.313 nan 8.380 nan 0.000 0.431 332 V N 1.753 121.656 119.914 -0.019 0.000 2.239 332 V HA -0.147 3.974 4.120 0.001 0.000 0.242 332 V C 2.426 178.512 176.094 -0.014 0.000 1.038 332 V CA 1.179 63.472 62.300 -0.012 0.000 1.002 332 V CB -0.356 31.462 31.823 -0.008 0.000 0.641 332 V HN 0.160 nan 8.190 nan 0.000 0.449 333 M N 0.938 120.526 119.600 -0.019 0.000 2.108 333 M HA -0.105 4.375 4.480 0.001 0.000 0.261 333 M C 2.309 178.588 176.300 -0.034 0.000 1.066 333 M CA 2.012 57.298 55.300 -0.022 0.000 1.107 333 M CB -2.064 30.517 32.600 -0.031 0.000 1.356 333 M HN 0.436 nan 8.290 nan 0.000 0.406 334 G N -0.408 108.367 108.800 -0.042 0.000 2.469 334 G HA2 -0.300 3.661 3.960 0.001 0.000 0.220 334 G HA3 -0.300 3.661 3.960 0.001 0.000 0.220 334 G C 1.271 176.151 174.900 -0.033 0.000 1.136 334 G CA 1.617 46.688 45.100 -0.049 0.000 0.759 334 G HN 0.549 nan 8.290 nan 0.000 0.562 335 D N -0.489 119.899 120.400 -0.021 0.000 2.194 335 D HA -0.036 4.604 4.640 0.001 0.000 0.204 335 D C 2.349 178.645 176.300 -0.006 0.000 0.964 335 D CA 0.658 54.651 54.000 -0.012 0.000 0.846 335 D CB -0.148 40.647 40.800 -0.007 0.000 0.962 335 D HN 0.296 nan 8.370 nan 0.000 0.490 336 R N 0.078 120.575 120.500 -0.005 0.000 2.070 336 R HA -0.091 4.249 4.340 0.001 0.000 0.233 336 R C 2.415 178.721 176.300 0.009 0.000 1.137 336 R CA 1.079 57.182 56.100 0.005 0.000 0.945 336 R CB -0.571 29.735 30.300 0.010 0.000 0.845 336 R HN 0.285 nan 8.270 nan 0.000 0.430 337 L N 0.871 122.093 121.223 -0.002 0.000 2.042 337 L HA -0.239 4.102 4.340 0.001 0.000 0.210 337 L C 2.865 179.737 176.870 0.002 0.000 1.076 337 L CA 1.776 56.616 54.840 -0.000 0.000 0.749 337 L CB -0.414 41.609 42.059 -0.059 0.000 0.893 337 L HN 0.345 nan 8.230 nan 0.000 0.432 338 R N -0.065 120.429 120.500 -0.010 0.000 2.080 338 R HA -0.229 4.111 4.340 0.001 0.000 0.236 338 R C 2.378 178.682 176.300 0.007 0.000 1.137 338 R CA 1.782 57.879 56.100 -0.004 0.000 0.943 338 R CB -0.222 30.073 30.300 -0.010 0.000 0.846 338 R HN 0.297 nan 8.270 nan 0.000 0.431 339 R N -0.490 120.015 120.500 0.008 0.000 2.096 339 R HA -0.128 4.212 4.340 0.001 0.000 0.240 339 R C 2.434 178.746 176.300 0.020 0.000 1.139 339 R CA 1.655 57.762 56.100 0.013 0.000 0.952 339 R CB -0.754 29.553 30.300 0.011 0.000 0.854 339 R HN 0.485 nan 8.270 nan 0.000 0.436 340 G N 1.005 109.822 108.800 0.027 0.000 2.446 340 G HA2 -0.259 3.701 3.960 0.001 0.000 0.217 340 G HA3 -0.259 3.701 3.960 0.001 0.000 0.217 340 G C 1.433 176.361 174.900 0.046 0.000 1.168 340 G CA 0.658 45.781 45.100 0.038 0.000 0.771 340 G HN 0.141 nan 8.290 nan 0.000 0.551 341 L N -0.167 121.082 121.223 0.043 0.000 2.013 341 L HA -0.094 4.246 4.340 0.001 0.000 0.212 341 L C 2.974 179.872 176.870 0.047 0.000 1.073 341 L CA 0.871 55.739 54.840 0.046 0.000 0.753 341 L CB -0.432 41.646 42.059 0.032 0.000 0.890 341 L HN 0.209 nan 8.230 nan 0.000 0.432 342 L N -0.643 120.598 121.223 0.031 0.000 2.131 342 L HA -0.244 4.097 4.340 0.001 0.000 0.210 342 L C 2.214 179.103 176.870 0.031 0.000 1.092 342 L CA 0.968 55.824 54.840 0.027 0.000 0.759 342 L CB -0.584 41.484 42.059 0.015 0.000 0.903 342 L HN 0.299 nan 8.230 nan 0.000 0.435 343 D N -0.170 120.249 120.400 0.031 0.000 2.097 343 D HA -0.166 4.474 4.640 0.001 0.000 0.195 343 D C 2.184 178.506 176.300 0.036 0.000 0.989 343 D CA 0.963 54.977 54.000 0.022 0.000 0.827 343 D CB -0.126 40.686 40.800 0.019 0.000 0.966 343 D HN 0.056 nan 8.370 nan 0.000 0.456 344 L N 0.697 121.973 121.223 0.087 0.000 2.013 344 L HA -0.158 4.182 4.340 0.001 0.000 0.212 344 L C 2.459 179.450 176.870 0.202 0.000 1.073 344 L CA 1.372 56.327 54.840 0.193 0.000 0.753 344 L CB -0.949 41.236 42.059 0.211 0.000 0.890 344 L HN 0.128 nan 8.230 nan 0.000 0.432 345 M N -1.087 118.589 119.600 0.126 0.000 2.149 345 M HA -0.272 4.209 4.480 0.001 0.000 0.261 345 M C 2.184 178.519 176.300 0.059 0.000 1.064 345 M CA 1.750 57.112 55.300 0.103 0.000 1.102 345 M CB -0.080 32.554 32.600 0.057 0.000 1.369 345 M HN 0.272 nan 8.290 nan 0.000 0.408 346 E N -0.369 119.840 120.200 0.015 0.000 2.077 346 E HA -0.252 4.098 4.350 0.001 0.000 0.193 346 E C 2.067 178.615 176.600 -0.087 0.000 0.989 346 E CA 1.298 57.682 56.400 -0.026 0.000 0.800 346 E CB 0.031 29.711 29.700 -0.033 0.000 0.746 346 E HN 0.458 nan 8.360 nan 0.000 0.452 347 R N -0.684 119.715 120.500 -0.169 0.000 2.062 347 R HA -0.047 4.293 4.340 0.001 0.000 0.231 347 R C -0.126 175.848 176.300 -0.543 0.000 1.136 347 R CA 1.021 56.850 56.100 -0.451 0.000 0.948 347 R CB 0.048 29.930 30.300 -0.696 0.000 0.845 347 R HN -0.055 nan 8.270 nan 0.000 0.430 348 F N 0.641 120.598 119.950 0.011 0.000 2.436 348 F HA 0.229 4.756 4.527 0.001 0.000 0.340 348 F C 0.707 176.519 175.800 0.021 0.000 1.113 348 F CA -0.987 57.023 58.000 0.016 0.000 1.022 348 F CB 1.612 40.624 39.000 0.019 0.000 1.128 348 F HN -0.059 nan 8.300 nan 0.000 0.466 349 D N 1.099 121.612 120.400 0.188 0.000 2.269 349 D HA -0.118 4.523 4.640 0.001 0.000 0.208 349 D C 2.189 178.564 176.300 0.125 0.000 0.963 349 D CA 0.987 55.059 54.000 0.121 0.000 0.864 349 D CB -0.292 40.560 40.800 0.086 0.000 0.936 349 D HN 0.672 nan 8.370 nan 0.000 0.505 350 C N 0.520 119.907 119.300 0.146 0.000 2.425 350 C HA 0.020 4.480 4.460 0.001 0.000 0.277 350 C C 1.562 176.613 174.990 0.102 0.000 1.280 350 C CA -0.684 58.397 59.018 0.105 0.000 1.744 350 C CB -1.445 26.341 27.740 0.077 0.000 1.989 350 C HN 0.073 nan 8.230 nan 0.000 0.491 351 I N 2.522 123.163 120.570 0.118 0.000 2.581 351 I HA 0.253 4.424 4.170 0.001 0.000 0.285 351 I C 1.572 177.730 176.117 0.068 0.000 1.129 351 I CA 0.821 62.177 61.300 0.094 0.000 1.397 351 I CB 0.643 38.708 38.000 0.109 0.000 1.399 351 I HN 0.467 nan 8.210 nan 0.000 0.537 352 G N 4.052 112.878 108.800 0.044 0.000 2.833 352 G HA2 0.067 4.028 3.960 0.001 0.000 0.210 352 G HA3 0.067 4.028 3.960 0.001 0.000 0.210 352 G C -0.113 174.687 174.900 -0.167 0.000 1.139 352 G CA 0.227 45.355 45.100 0.046 0.000 0.771 352 G HN 0.574 nan 8.290 nan 0.000 0.535 353 D N -1.454 118.788 120.400 -0.263 0.000 2.745 353 D HA 0.321 4.961 4.640 0.001 0.000 0.221 353 D C -1.408 174.775 176.300 -0.195 0.000 1.237 353 D CA -0.324 53.440 54.000 -0.393 0.000 0.781 353 D CB 2.089 42.286 40.800 -1.005 0.000 1.575 353 D HN 0.176 nan 8.370 nan 0.000 0.482 354 V N 3.870 123.708 119.914 -0.127 0.000 2.447 354 V HA 0.860 4.980 4.120 0.001 0.000 0.292 354 V C -1.054 175.011 176.094 -0.048 0.000 1.021 354 V CA -0.229 62.037 62.300 -0.056 0.000 0.850 354 V CB 0.948 32.760 31.823 -0.019 0.000 1.005 354 V HN 0.690 nan 8.190 nan 0.000 0.426 355 R N 4.751 125.231 120.500 -0.034 0.000 2.947 355 R HA 1.044 5.384 4.340 0.001 0.000 0.253 355 R C 0.296 176.589 176.300 -0.012 0.000 1.208 355 R CA -0.402 55.689 56.100 -0.016 0.000 1.012 355 R CB 1.506 31.806 30.300 -0.000 0.000 1.267 355 R HN 1.736 nan 8.270 nan 0.000 0.473 356 G N -0.006 108.789 108.800 -0.008 0.000 2.352 356 G HA2 0.057 4.018 3.960 0.001 0.000 0.324 356 G HA3 0.057 4.018 3.960 0.001 0.000 0.324 356 G C -1.497 173.396 174.900 -0.013 0.000 1.249 356 G CA -0.501 44.591 45.100 -0.014 0.000 1.053 356 G HN 0.690 nan 8.290 nan 0.000 0.492 357 R N -0.966 119.523 120.500 -0.018 0.000 2.604 357 R HA 0.592 4.932 4.340 0.001 0.000 0.270 357 R C 0.881 177.164 176.300 -0.028 0.000 1.052 357 R CA 1.160 57.250 56.100 -0.017 0.000 0.902 357 R CB 1.438 31.733 30.300 -0.008 0.000 1.233 357 R HN 2.666 nan 8.270 nan 0.000 0.455 358 G N 2.084 110.865 108.800 -0.031 0.000 2.614 358 G HA2 -0.336 3.624 3.960 0.001 0.000 0.303 358 G HA3 -0.336 3.624 3.960 0.001 0.000 0.303 358 G C -0.305 174.559 174.900 -0.060 0.000 1.270 358 G CA 0.233 45.308 45.100 -0.042 0.000 0.988 358 G HN 0.407 nan 8.290 nan 0.000 0.551 359 L N 0.295 121.474 121.223 -0.074 0.000 2.779 359 L HA 0.508 4.849 4.340 0.001 0.000 0.239 359 L C 0.632 177.439 176.870 -0.104 0.000 1.245 359 L CA 0.529 55.305 54.840 -0.106 0.000 1.064 359 L CB -0.362 41.625 42.059 -0.121 0.000 1.350 359 L HN 0.499 nan 8.230 nan 0.000 0.455 360 L N 0.235 121.413 121.223 -0.076 0.000 2.488 360 L HA 0.448 4.789 4.340 0.001 0.000 0.250 360 L C -0.969 175.871 176.870 -0.051 0.000 1.280 360 L CA -0.023 54.781 54.840 -0.062 0.000 0.929 360 L CB 0.616 42.651 42.059 -0.039 0.000 1.200 360 L HN -0.160 nan 8.230 nan 0.000 0.495 361 L N 1.586 122.773 121.223 -0.061 0.000 2.352 361 L HA 0.904 5.245 4.340 0.001 0.000 0.269 361 L C 0.638 177.496 176.870 -0.019 0.000 1.034 361 L CA -0.557 54.258 54.840 -0.042 0.000 0.806 361 L CB 1.625 43.652 42.059 -0.054 0.000 1.244 361 L HN 0.512 nan 8.230 nan 0.000 0.447 362 G N 0.680 109.477 108.800 -0.004 0.000 2.732 362 G HA2 0.563 4.523 3.960 0.001 0.000 0.295 362 G HA3 0.563 4.523 3.960 0.001 0.000 0.295 362 G C -1.749 173.168 174.900 0.029 0.000 1.456 362 G CA -0.242 44.868 45.100 0.017 0.000 1.050 362 G HN 0.266 nan 8.290 nan 0.000 0.525 363 V N 1.930 121.896 119.914 0.086 0.000 2.347 363 V HA 0.353 4.474 4.120 0.001 0.000 0.280 363 V C 0.096 176.242 176.094 0.086 0.000 1.021 363 V CA -0.661 61.696 62.300 0.095 0.000 0.847 363 V CB 1.464 33.383 31.823 0.160 0.000 0.990 363 V HN 0.865 nan 8.190 nan 0.000 0.444 364 E N 5.692 125.897 120.200 0.009 0.000 1.993 364 E HA 0.269 4.620 4.350 0.001 0.000 0.271 364 E C -0.318 176.310 176.600 0.047 0.000 1.008 364 E CA -0.752 55.656 56.400 0.014 0.000 0.814 364 E CB 0.454 30.155 29.700 0.002 0.000 1.098 364 E HN 0.470 nan 8.360 nan 0.000 0.407 365 I N 4.512 125.110 120.570 0.046 0.000 2.683 365 I HA 0.024 4.195 4.170 0.001 0.000 0.286 365 I C 0.186 176.342 176.117 0.064 0.000 1.175 365 I CA 0.225 61.561 61.300 0.060 0.000 1.429 365 I CB 0.517 38.539 38.000 0.036 0.000 1.371 365 I HN 0.367 nan 8.210 nan 0.000 0.569 366 V N 6.934 126.895 119.914 0.079 0.000 3.049 366 V HA 0.243 4.363 4.120 0.001 0.000 0.309 366 V C 0.901 177.035 176.094 0.067 0.000 1.148 366 V CA -0.827 61.524 62.300 0.084 0.000 0.990 366 V CB 2.551 34.452 31.823 0.130 0.000 1.039 366 V HN 0.834 nan 8.190 nan 0.000 0.430 367 K N 1.823 122.255 120.400 0.052 0.000 2.057 367 K HA -0.021 4.300 4.320 0.001 0.000 0.206 367 K C 0.270 176.898 176.600 0.047 0.000 1.050 367 K CA 1.919 58.231 56.287 0.043 0.000 0.935 367 K CB 0.187 32.705 32.500 0.029 0.000 0.715 367 K HN 0.865 nan 8.250 nan 0.000 0.439 368 D N -2.105 118.324 120.400 0.048 0.000 2.871 368 D HA 0.054 4.695 4.640 0.001 0.000 0.209 368 D C -0.261 176.070 176.300 0.052 0.000 1.292 368 D CA -0.502 53.526 54.000 0.047 0.000 0.869 368 D CB 1.047 41.867 40.800 0.033 0.000 1.663 368 D HN -0.083 nan 8.370 nan 0.000 0.557 369 R N 1.193 121.730 120.500 0.062 0.000 2.119 369 R HA -0.219 4.122 4.340 0.001 0.000 0.246 369 R C 2.045 178.371 176.300 0.044 0.000 1.146 369 R CA 2.378 58.521 56.100 0.071 0.000 0.962 369 R CB -0.065 30.276 30.300 0.068 0.000 0.863 369 R HN 0.494 nan 8.270 nan 0.000 0.442 370 R N -0.661 119.855 120.500 0.026 0.000 2.082 370 R HA -0.090 4.250 4.340 0.001 0.000 0.234 370 R C 2.297 178.591 176.300 -0.010 0.000 1.136 370 R CA 2.161 58.265 56.100 0.007 0.000 0.935 370 R CB -1.017 29.285 30.300 0.004 0.000 0.842 370 R HN 0.224 nan 8.270 nan 0.000 0.430 371 T N 0.022 114.572 114.554 -0.007 0.000 2.985 371 T HA 0.051 4.402 4.350 0.001 0.000 0.266 371 T C 0.381 175.060 174.700 -0.035 0.000 1.076 371 T CA 0.387 62.474 62.100 -0.021 0.000 1.135 371 T CB -0.084 68.778 68.868 -0.010 0.000 0.890 371 T HN 0.221 nan 8.240 nan 0.000 0.480 372 K N 1.304 121.699 120.400 -0.008 0.000 3.239 372 K HA -0.146 4.175 4.320 0.001 0.000 0.270 372 K C -0.376 176.217 176.600 -0.011 0.000 1.049 372 K CA 0.223 56.506 56.287 -0.006 0.000 0.769 372 K CB -1.187 31.245 32.500 -0.112 0.000 1.305 372 K HN 0.541 nan 8.250 nan 0.000 0.469 373 E N 1.201 121.408 120.200 0.012 0.000 2.197 373 E HA 0.199 4.549 4.350 0.001 0.000 0.281 373 E C -2.402 174.215 176.600 0.028 0.000 0.995 373 E CA -2.528 53.878 56.400 0.010 0.000 0.808 373 E CB 1.040 30.744 29.700 0.007 0.000 1.093 373 E HN -0.053 nan 8.360 nan 0.000 0.394 374 P HA -0.004 nan 4.420 nan 0.000 0.267 374 P C -1.245 176.065 177.300 0.018 0.000 1.205 374 P CA 0.025 63.142 63.100 0.028 0.000 0.765 374 P CB 0.763 32.475 31.700 0.020 0.000 0.828 375 A N 3.329 126.160 122.820 0.018 0.000 2.527 375 A HA 0.169 4.489 4.320 0.001 0.000 0.313 375 A C -0.120 177.461 177.584 -0.005 0.000 1.410 375 A CA -0.328 51.716 52.037 0.011 0.000 1.060 375 A CB -0.967 18.045 19.000 0.021 0.000 1.137 375 A HN 0.408 nan 8.150 nan 0.000 0.542 376 D N 2.147 122.544 120.400 -0.004 0.000 2.426 376 D HA 0.353 4.993 4.640 0.001 0.000 0.261 376 D C 1.501 177.793 176.300 -0.013 0.000 1.245 376 D CA 1.986 55.980 54.000 -0.010 0.000 0.917 376 D CB 0.298 41.095 40.800 -0.005 0.000 1.123 376 D HN 0.857 nan 8.370 nan 0.000 0.508 377 G N 2.448 111.235 108.800 -0.022 0.000 2.205 377 G HA2 -0.365 3.595 3.960 0.001 0.000 0.269 377 G HA3 -0.365 3.595 3.960 0.001 0.000 0.269 377 G C 1.054 175.948 174.900 -0.010 0.000 0.977 377 G CA 0.660 45.748 45.100 -0.019 0.000 0.652 377 G HN 0.519 nan 8.290 nan 0.000 0.539 378 L N 1.241 122.460 121.223 -0.006 0.000 2.156 378 L HA 0.355 4.696 4.340 0.001 0.000 0.208 378 L C 2.619 179.504 176.870 0.025 0.000 1.095 378 L CA 2.880 57.726 54.840 0.009 0.000 0.770 378 L CB -1.028 41.039 42.059 0.014 0.000 0.914 378 L HN 0.254 nan 8.230 nan 0.000 0.439 379 G N -0.595 108.202 108.800 -0.005 0.000 2.440 379 G HA2 -0.294 3.667 3.960 0.001 0.000 0.218 379 G HA3 -0.294 3.667 3.960 0.001 0.000 0.218 379 G C 1.577 176.500 174.900 0.038 0.000 1.154 379 G CA 0.803 45.884 45.100 -0.032 0.000 0.767 379 G HN 0.621 nan 8.290 nan 0.000 0.552 380 A N 0.205 123.026 122.820 0.002 0.000 2.015 380 A HA 0.078 4.398 4.320 0.001 0.000 0.219 380 A C 2.354 179.961 177.584 0.038 0.000 1.163 380 A CA 1.659 53.706 52.037 0.017 0.000 0.646 380 A CB -0.201 18.794 19.000 -0.009 0.000 0.806 380 A HN 0.257 nan 8.150 nan 0.000 0.448 381 K N -0.097 120.324 120.400 0.035 0.000 2.001 381 K HA -0.028 4.292 4.320 0.001 0.000 0.208 381 K C 1.867 178.490 176.600 0.038 0.000 1.048 381 K CA 1.413 57.715 56.287 0.025 0.000 0.932 381 K CB -0.535 31.972 32.500 0.012 0.000 0.715 381 K HN 0.574 nan 8.250 nan 0.000 0.437 382 I N 1.176 121.793 120.570 0.079 0.000 2.208 382 I HA -0.284 3.887 4.170 0.001 0.000 0.245 382 I C 2.181 178.346 176.117 0.080 0.000 1.097 382 I CA 1.419 62.766 61.300 0.078 0.000 1.363 382 I CB -0.606 37.500 38.000 0.176 0.000 1.051 382 I HN 0.158 nan 8.210 nan 0.000 0.413 383 T N 0.115 114.789 114.554 0.200 0.000 2.821 383 T HA -0.168 4.182 4.350 0.001 0.000 0.267 383 T C 2.018 176.755 174.700 0.061 0.000 1.046 383 T CA 1.049 63.253 62.100 0.174 0.000 1.139 383 T CB -0.246 68.770 68.868 0.246 0.000 0.871 383 T HN 0.325 nan 8.240 nan 0.000 0.454 384 R N 0.930 121.454 120.500 0.041 0.000 2.075 384 R HA -0.080 4.260 4.340 0.001 0.000 0.232 384 R C 2.172 178.467 176.300 -0.007 0.000 1.126 384 R CA 1.154 57.261 56.100 0.012 0.000 0.963 384 R CB -0.029 30.274 30.300 0.006 0.000 0.858 384 R HN 0.249 nan 8.270 nan 0.000 0.435 385 E N 0.357 120.548 120.200 -0.016 0.000 2.110 385 E HA -0.174 4.177 4.350 0.001 0.000 0.193 385 E C 2.129 178.697 176.600 -0.054 0.000 0.988 385 E CA 1.068 57.446 56.400 -0.036 0.000 0.804 385 E CB -0.455 29.218 29.700 -0.045 0.000 0.745 385 E HN 0.417 nan 8.360 nan 0.000 0.458 386 C N 0.593 119.852 119.300 -0.068 0.000 2.436 386 C HA -0.140 4.321 4.460 0.001 0.000 0.277 386 C C 2.760 177.710 174.990 -0.068 0.000 1.241 386 C CA 0.822 59.782 59.018 -0.097 0.000 1.721 386 C CB -0.831 26.828 27.740 -0.135 0.000 2.043 386 C HN 0.379 nan 8.230 nan 0.000 0.472 387 M N 2.133 121.710 119.600 -0.038 0.000 2.088 387 M HA -0.155 4.326 4.480 0.001 0.000 0.256 387 M C 1.796 178.081 176.300 -0.026 0.000 1.071 387 M CA 1.823 57.110 55.300 -0.022 0.000 1.097 387 M CB -0.954 31.645 32.600 -0.002 0.000 1.315 387 M HN 0.373 nan 8.290 nan 0.000 0.406 388 N N -0.006 118.679 118.700 -0.026 0.000 2.137 388 N HA -0.156 4.585 4.740 0.001 0.000 0.190 388 N C 1.606 177.099 175.510 -0.029 0.000 1.017 388 N CA 1.562 54.598 53.050 -0.025 0.000 0.859 388 N CB -0.689 37.784 38.487 -0.023 0.000 1.002 388 N HN 0.434 nan 8.380 nan 0.000 0.428 389 L N -0.833 120.366 121.223 -0.040 0.000 2.554 389 L HA 0.221 4.562 4.340 0.001 0.000 0.226 389 L C 1.089 177.931 176.870 -0.046 0.000 1.137 389 L CA 0.345 55.158 54.840 -0.045 0.000 0.863 389 L CB -0.218 41.806 42.059 -0.059 0.000 0.985 389 L HN 0.225 nan 8.230 nan 0.000 0.451 390 G N 0.788 109.562 108.800 -0.044 0.000 2.164 390 G HA2 -0.223 3.737 3.960 0.001 0.000 0.212 390 G HA3 -0.223 3.737 3.960 0.001 0.000 0.212 390 G C -0.285 174.579 174.900 -0.060 0.000 1.031 390 G CA -0.350 44.729 45.100 -0.035 0.000 0.730 390 G HN 0.166 nan 8.290 nan 0.000 0.501 391 L N 1.387 122.551 121.223 -0.099 0.000 2.343 391 L HA 0.707 5.047 4.340 0.001 0.000 0.278 391 L C 0.169 176.975 176.870 -0.107 0.000 0.996 391 L CA -0.620 54.118 54.840 -0.170 0.000 0.831 391 L CB 1.766 43.675 42.059 -0.251 0.000 1.232 391 L HN 0.202 nan 8.230 nan 0.000 0.413 392 S N 6.543 122.202 115.700 -0.069 0.000 2.416 392 S HA 0.556 5.026 4.470 0.001 0.000 0.287 392 S C -0.065 174.564 174.600 0.048 0.000 1.139 392 S CA -0.619 57.582 58.200 0.002 0.000 1.058 392 S CB 0.208 63.424 63.200 0.027 0.000 0.967 392 S HN 0.584 nan 8.310 nan 0.000 0.495 393 M N 3.782 123.416 119.600 0.057 0.000 2.819 393 M HA 0.535 5.015 4.480 0.001 0.000 0.300 393 M C -0.307 176.094 176.300 0.168 0.000 1.237 393 M CA -0.894 54.475 55.300 0.115 0.000 0.813 393 M CB 1.640 34.265 32.600 0.042 0.000 1.755 393 M HN 0.718 nan 8.290 nan 0.000 0.484 394 N N 0.689 119.536 118.700 0.245 0.000 2.324 394 N HA 0.512 5.252 4.740 0.001 0.000 0.285 394 N C -2.405 173.203 175.510 0.164 0.000 1.076 394 N CA -0.345 52.807 53.050 0.170 0.000 0.864 394 N CB 2.955 41.491 38.487 0.082 0.000 1.632 394 N HN 0.769 nan 8.380 nan 0.000 0.478 395 I N 2.682 123.252 120.570 -0.001 0.000 2.569 395 I HA 0.518 4.688 4.170 0.001 0.000 0.296 395 I C -0.811 175.200 176.117 -0.176 0.000 1.028 395 I CA -0.793 60.373 61.300 -0.222 0.000 1.082 395 I CB 1.761 39.455 38.000 -0.511 0.000 1.264 395 I HN 0.379 nan 8.210 nan 0.000 0.429 396 V N 3.944 123.744 119.914 -0.190 0.000 2.628 396 V HA 0.719 4.839 4.120 0.001 0.000 0.306 396 V C -1.041 174.965 176.094 -0.146 0.000 1.045 396 V CA -0.446 61.765 62.300 -0.149 0.000 0.905 396 V CB 1.607 33.349 31.823 -0.134 0.000 0.997 396 V HN 0.882 nan 8.190 nan 0.000 0.436 397 Q N 3.342 123.075 119.800 -0.113 0.000 2.274 397 Q HA 0.764 5.104 4.340 0.001 0.000 0.268 397 Q C -2.018 173.949 176.000 -0.056 0.000 1.015 397 Q CA -0.288 55.461 55.803 -0.090 0.000 0.775 397 Q CB 1.780 30.463 28.738 -0.091 0.000 1.256 397 Q HN 0.913 nan 8.270 nan 0.000 0.442 398 L N 4.584 125.784 121.223 -0.040 0.000 2.279 398 L HA 0.759 5.099 4.340 0.001 0.000 0.262 398 L C -2.176 174.695 176.870 0.001 0.000 1.019 398 L CA -2.136 52.694 54.840 -0.017 0.000 0.823 398 L CB 1.592 43.640 42.059 -0.018 0.000 1.358 398 L HN 0.651 nan 8.230 nan 0.000 0.432 399 P HA 0.179 nan 4.420 nan 0.000 0.266 399 P C 0.623 177.942 177.300 0.032 0.000 1.195 399 P CA 0.521 63.634 63.100 0.022 0.000 0.768 399 P CB 0.510 32.228 31.700 0.030 0.000 0.838 400 G N 1.095 109.914 108.800 0.031 0.000 2.175 400 G HA2 -0.276 3.685 3.960 0.001 0.000 0.265 400 G HA3 -0.276 3.685 3.960 0.001 0.000 0.265 400 G C 0.116 175.050 174.900 0.057 0.000 0.979 400 G CA 0.269 45.391 45.100 0.037 0.000 0.663 400 G HN 0.472 nan 8.290 nan 0.000 0.533 401 M N -0.599 119.037 119.600 0.060 0.000 2.727 401 M HA 0.588 5.069 4.480 0.001 0.000 0.300 401 M C 0.832 177.171 176.300 0.065 0.000 1.246 401 M CA -0.188 55.171 55.300 0.098 0.000 0.835 401 M CB 2.043 34.693 32.600 0.083 0.000 1.755 401 M HN 0.187 nan 8.290 nan 0.000 0.473 402 G N -0.303 108.554 108.800 0.096 0.000 2.502 402 G HA2 0.584 4.545 3.960 0.001 0.000 0.305 402 G HA3 0.584 4.545 3.960 0.001 0.000 0.305 402 G C -0.213 174.683 174.900 -0.006 0.000 1.190 402 G CA -0.618 44.513 45.100 0.051 0.000 0.933 402 G HN 0.815 nan 8.290 nan 0.000 0.503 403 G N -1.495 107.261 108.800 -0.074 0.000 2.441 403 G HA2 0.433 4.393 3.960 0.001 0.000 0.243 403 G HA3 0.433 4.393 3.960 0.001 0.000 0.243 403 G C -0.519 174.255 174.900 -0.210 0.000 1.281 403 G CA -0.077 44.919 45.100 -0.174 0.000 0.854 403 G HN 0.635 nan 8.290 nan 0.000 0.560 404 V N 2.591 122.369 119.914 -0.227 0.000 2.448 404 V HA 0.369 4.489 4.120 0.001 0.000 0.295 404 V C -0.661 175.295 176.094 -0.230 0.000 1.025 404 V CA -0.784 61.417 62.300 -0.166 0.000 0.859 404 V CB 1.397 33.171 31.823 -0.082 0.000 0.988 404 V HN 0.556 nan 8.190 nan 0.000 0.431 405 F N 3.897 123.836 119.950 -0.019 0.000 2.410 405 F HA 0.494 5.022 4.527 0.001 0.000 0.348 405 F C 1.049 176.835 175.800 -0.023 0.000 1.106 405 F CA -0.306 57.685 58.000 -0.015 0.000 1.163 405 F CB 0.844 39.843 39.000 -0.002 0.000 1.129 405 F HN 0.307 nan 8.300 nan 0.000 0.516 406 R N 5.031 125.633 120.500 0.170 0.000 2.229 406 R HA 0.539 4.879 4.340 0.001 0.000 0.328 406 R C -0.888 175.458 176.300 0.077 0.000 1.009 406 R CA -0.475 55.669 56.100 0.073 0.000 0.864 406 R CB 1.106 31.412 30.300 0.010 0.000 1.085 406 R HN 0.569 nan 8.270 nan 0.000 0.453 407 I N 2.069 122.649 120.570 0.017 0.000 2.362 407 I HA 0.412 4.582 4.170 0.001 0.000 0.289 407 I C -0.020 176.006 176.117 -0.152 0.000 0.994 407 I CA -0.530 60.731 61.300 -0.065 0.000 1.158 407 I CB 1.880 39.830 38.000 -0.084 0.000 1.315 407 I HN 0.674 nan 8.210 nan 0.000 0.451 408 A N 8.014 130.718 122.820 -0.194 0.000 3.158 408 A HA 0.560 4.881 4.320 0.001 0.000 0.302 408 A C -2.832 174.623 177.584 -0.216 0.000 1.162 408 A CA -1.071 50.856 52.037 -0.183 0.000 0.824 408 A CB 0.190 19.133 19.000 -0.096 0.000 1.322 408 A HN 0.332 nan 8.150 nan 0.000 0.510 409 P HA 0.403 nan 4.420 nan 0.000 0.274 409 P C -2.720 174.478 177.300 -0.171 0.000 1.246 409 P CA -1.300 61.616 63.100 -0.308 0.000 0.795 409 P CB -0.151 31.240 31.700 -0.515 0.000 1.006 410 P HA 0.087 nan 4.420 nan 0.000 0.270 410 P C 1.007 178.262 177.300 -0.075 0.000 1.227 410 P CA 0.181 63.231 63.100 -0.083 0.000 0.788 410 P CB 0.274 31.940 31.700 -0.056 0.000 0.926 411 L N 0.477 121.663 121.223 -0.062 0.000 2.376 411 L HA -0.070 4.270 4.340 0.001 0.000 0.219 411 L C 1.733 178.587 176.870 -0.026 0.000 1.133 411 L CA 1.574 56.382 54.840 -0.053 0.000 0.816 411 L CB -1.034 40.990 42.059 -0.057 0.000 0.933 411 L HN 0.476 nan 8.230 nan 0.000 0.449 412 T N -2.692 111.859 114.554 -0.005 0.000 3.188 412 T HA 0.166 4.517 4.350 0.001 0.000 0.250 412 T C 0.637 175.351 174.700 0.023 0.000 1.077 412 T CA -0.370 61.746 62.100 0.028 0.000 0.967 412 T CB -0.880 68.033 68.868 0.076 0.000 1.006 412 T HN 0.053 nan 8.240 nan 0.000 0.552 413 V N 1.822 121.735 119.914 -0.001 0.000 2.788 413 V HA 0.423 4.543 4.120 0.001 0.000 0.307 413 V C 0.704 176.813 176.094 0.025 0.000 1.069 413 V CA -0.952 61.352 62.300 0.007 0.000 1.173 413 V CB -0.030 31.785 31.823 -0.013 0.000 0.925 413 V HN 0.565 nan 8.190 nan 0.000 0.492 414 S N 1.510 117.237 115.700 0.046 0.000 2.693 414 S HA 0.394 4.864 4.470 0.001 0.000 0.276 414 S C 0.705 175.338 174.600 0.054 0.000 1.192 414 S CA -0.097 58.134 58.200 0.053 0.000 0.994 414 S CB 1.544 64.785 63.200 0.068 0.000 1.012 414 S HN 0.776 nan 8.310 nan 0.000 0.550 415 E N 0.950 121.178 120.200 0.048 0.000 2.077 415 E HA -0.168 4.182 4.350 0.001 0.000 0.193 415 E C 1.657 178.292 176.600 0.059 0.000 0.989 415 E CA 1.910 58.337 56.400 0.046 0.000 0.800 415 E CB -0.132 29.590 29.700 0.036 0.000 0.746 415 E HN 0.817 nan 8.360 nan 0.000 0.452 416 D N 0.693 121.132 120.400 0.064 0.000 2.092 416 D HA -0.239 4.402 4.640 0.001 0.000 0.193 416 D C 1.557 177.911 176.300 0.090 0.000 0.994 416 D CA 1.233 55.276 54.000 0.072 0.000 0.828 416 D CB -0.632 40.213 40.800 0.076 0.000 0.963 416 D HN 0.285 nan 8.370 nan 0.000 0.450 417 E N 0.516 120.782 120.200 0.110 0.000 2.130 417 E HA -0.133 4.217 4.350 0.001 0.000 0.196 417 E C 2.484 179.162 176.600 0.130 0.000 0.998 417 E CA 0.544 57.012 56.400 0.114 0.000 0.806 417 E CB -0.036 29.709 29.700 0.076 0.000 0.738 417 E HN 0.381 nan 8.360 nan 0.000 0.459 418 I N 1.281 121.941 120.570 0.150 0.000 2.163 418 I HA -0.239 3.932 4.170 0.001 0.000 0.240 418 I C 1.842 178.053 176.117 0.156 0.000 1.081 418 I CA 1.195 62.622 61.300 0.212 0.000 1.353 418 I CB -0.303 37.772 38.000 0.125 0.000 1.054 418 I HN 0.070 nan 8.210 nan 0.000 0.407 419 D N 0.800 121.255 120.400 0.092 0.000 2.123 419 D HA -0.200 4.441 4.640 0.001 0.000 0.196 419 D C 1.977 178.299 176.300 0.036 0.000 0.992 419 D CA 1.072 55.109 54.000 0.061 0.000 0.833 419 D CB -0.365 40.464 40.800 0.047 0.000 0.954 419 D HN 0.184 nan 8.370 nan 0.000 0.455 420 L N 0.777 122.017 121.223 0.029 0.000 1.989 420 L HA -0.080 4.260 4.340 0.001 0.000 0.211 420 L C 2.197 179.010 176.870 -0.095 0.000 1.071 420 L CA 2.484 57.318 54.840 -0.009 0.000 0.749 420 L CB -1.010 41.066 42.059 0.028 0.000 0.890 420 L HN 0.069 nan 8.230 nan 0.000 0.431 421 G N -0.502 108.178 108.800 -0.199 0.000 2.418 421 G HA2 -0.263 3.697 3.960 0.001 0.000 0.217 421 G HA3 -0.263 3.697 3.960 0.001 0.000 0.217 421 G C 1.547 176.306 174.900 -0.235 0.000 1.158 421 G CA 0.857 45.659 45.100 -0.497 0.000 0.771 421 G HN 0.375 nan 8.290 nan 0.000 0.545 422 L N 1.195 122.396 121.223 -0.037 0.000 2.127 422 L HA -0.005 4.335 4.340 0.001 0.000 0.211 422 L C 2.921 179.786 176.870 -0.008 0.000 1.089 422 L CA 1.630 56.485 54.840 0.026 0.000 0.757 422 L CB -0.725 41.376 42.059 0.070 0.000 0.899 422 L HN 0.184 nan 8.230 nan 0.000 0.434 423 S N -0.889 114.796 115.700 -0.026 0.000 2.329 423 S HA -0.073 4.397 4.470 0.001 0.000 0.215 423 S C 1.912 176.487 174.600 -0.042 0.000 1.031 423 S CA 1.058 59.248 58.200 -0.017 0.000 0.985 423 S CB -0.280 62.909 63.200 -0.018 0.000 0.917 423 S HN 0.381 nan 8.310 nan 0.000 0.441 424 L N 1.622 122.795 121.223 -0.084 0.000 2.021 424 L HA -0.176 4.164 4.340 0.001 0.000 0.215 424 L C 2.480 179.275 176.870 -0.125 0.000 1.074 424 L CA 1.200 55.976 54.840 -0.107 0.000 0.760 424 L CB -0.697 41.272 42.059 -0.150 0.000 0.889 424 L HN 0.329 nan 8.230 nan 0.000 0.433 425 L N 0.010 121.143 121.223 -0.150 0.000 2.042 425 L HA -0.180 4.160 4.340 0.001 0.000 0.210 425 L C 2.435 179.222 176.870 -0.138 0.000 1.076 425 L CA 2.012 56.750 54.840 -0.171 0.000 0.749 425 L CB -0.883 41.088 42.059 -0.147 0.000 0.893 425 L HN 0.342 nan 8.230 nan 0.000 0.432 426 G N -1.062 107.709 108.800 -0.050 0.000 2.421 426 G HA2 -0.281 3.679 3.960 0.001 0.000 0.216 426 G HA3 -0.281 3.679 3.960 0.001 0.000 0.216 426 G C 1.379 176.278 174.900 -0.003 0.000 1.171 426 G CA 0.482 45.603 45.100 0.036 0.000 0.775 426 G HN 0.463 nan 8.290 nan 0.000 0.543 427 Q N 0.233 120.025 119.800 -0.012 0.000 2.084 427 Q HA -0.027 4.314 4.340 0.001 0.000 0.202 427 Q C 3.011 178.974 176.000 -0.062 0.000 0.978 427 Q CA 1.292 57.087 55.803 -0.013 0.000 0.844 427 Q CB -0.292 28.434 28.738 -0.018 0.000 0.898 427 Q HN 0.472 nan 8.270 nan 0.000 0.426 428 A N 0.906 123.664 122.820 -0.105 0.000 1.933 428 A HA -0.162 4.158 4.320 0.001 0.000 0.218 428 A C 2.006 179.492 177.584 -0.162 0.000 1.175 428 A CA 1.113 53.077 52.037 -0.121 0.000 0.628 428 A CB -0.546 18.369 19.000 -0.141 0.000 0.814 428 A HN 0.305 nan 8.150 nan 0.000 0.444 429 I N -1.051 119.358 120.570 -0.268 0.000 2.439 429 I HA -0.177 3.993 4.170 0.001 0.000 0.251 429 I C 2.488 178.359 176.117 -0.410 0.000 1.139 429 I CA 1.533 62.572 61.300 -0.434 0.000 1.438 429 I CB -0.394 37.099 38.000 -0.845 0.000 1.085 429 I HN 0.518 nan 8.210 nan 0.000 0.427 430 E N 1.775 121.820 120.200 -0.257 0.000 2.047 430 E HA -0.256 4.094 4.350 0.001 0.000 0.191 430 E C 2.264 178.876 176.600 0.020 0.000 0.987 430 E CA 1.198 57.617 56.400 0.031 0.000 0.799 430 E CB 0.021 29.820 29.700 0.164 0.000 0.752 430 E HN 0.410 nan 8.360 nan 0.000 0.449 431 R N -0.277 120.213 120.500 -0.018 0.000 2.307 431 R HA 0.132 4.472 4.340 0.001 0.000 0.199 431 R C 1.604 177.893 176.300 -0.019 0.000 1.000 431 R CA 0.936 57.030 56.100 -0.010 0.000 1.023 431 R CB 0.109 30.402 30.300 -0.011 0.000 0.908 431 R HN 0.099 nan 8.270 nan 0.000 0.473 432 A N 0.981 123.776 122.820 -0.041 0.000 2.147 432 A HA 0.259 4.579 4.320 0.001 0.000 0.211 432 A C 0.719 178.293 177.584 -0.017 0.000 1.160 432 A CA -0.112 51.905 52.037 -0.033 0.000 0.781 432 A CB 0.020 18.993 19.000 -0.045 0.000 0.842 432 A HN 0.239 nan 8.150 nan 0.000 0.475 433 L N 0.000 121.218 121.223 -0.008 0.000 2.949 433 L HA 0.000 4.340 4.340 0.001 0.000 0.249 433 L CA 0.000 54.849 54.840 0.015 0.000 0.813 433 L CB 0.000 42.082 42.059 0.039 0.000 0.961 433 L HN 0.000 nan 8.230 nan 0.000 0.502