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 1d7r_1_A DATA FIRST_RESID 3 DATA SEQUENCE LNDDATFWRN ARQHLVRYGG 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 0.000 176.885 176.870 0.025 0.000 1.165 3 L CA 0.000 54.851 54.840 0.018 0.000 0.813 3 L CB 0.000 42.078 42.059 0.032 0.000 0.961 4 N N 0.885 119.618 118.700 0.055 0.000 2.550 4 N HA -0.051 4.689 4.740 0.000 0.000 0.186 4 N C -0.113 175.571 175.510 0.291 0.000 1.110 4 N CA 0.592 53.710 53.050 0.113 0.000 0.912 4 N CB 0.266 38.844 38.487 0.152 0.000 0.968 4 N HN 0.525 nan 8.380 nan 0.000 0.448 5 D N 0.920 121.438 120.400 0.197 0.000 2.352 5 D HA -0.069 4.571 4.640 0.000 0.000 0.232 5 D C 0.099 176.578 176.300 0.298 0.000 1.055 5 D CA 0.265 54.404 54.000 0.232 0.000 0.891 5 D CB -0.312 40.553 40.800 0.109 0.000 0.897 5 D HN 0.107 nan 8.370 nan 0.000 0.529 6 D N 0.799 121.351 120.400 0.252 0.000 2.660 6 D HA -0.081 4.559 4.640 0.000 0.000 0.253 6 D C 1.179 177.677 176.300 0.331 0.000 1.256 6 D CA 0.020 54.138 54.000 0.198 0.000 0.914 6 D CB 0.703 41.539 40.800 0.059 0.000 1.137 6 D HN 0.067 nan 8.370 nan 0.000 0.542 7 A N 3.543 126.508 122.820 0.242 0.000 2.015 7 A HA -0.130 4.190 4.320 0.000 0.000 0.219 7 A C 2.181 179.886 177.584 0.202 0.000 1.163 7 A CA 1.415 53.596 52.037 0.238 0.000 0.646 7 A CB -0.143 18.946 19.000 0.148 0.000 0.806 7 A HN 0.609 nan 8.150 nan 0.000 0.448 8 T N -0.887 113.759 114.554 0.154 0.000 2.737 8 T HA -0.088 4.263 4.350 0.000 0.000 0.265 8 T C 1.600 176.358 174.700 0.097 0.000 1.038 8 T CA 1.458 63.623 62.100 0.109 0.000 1.144 8 T CB -0.379 68.539 68.868 0.084 0.000 0.866 8 T HN 0.495 nan 8.240 nan 0.000 0.434 9 F N 0.462 120.367 119.950 -0.076 0.000 2.069 9 F HA -0.115 4.412 4.527 0.000 0.000 0.298 9 F C 1.840 177.491 175.800 -0.248 0.000 1.113 9 F CA 1.324 59.181 58.000 -0.238 0.000 1.214 9 F CB -0.494 38.248 39.000 -0.428 0.000 0.978 9 F HN 0.212 nan 8.300 nan 0.000 0.474 10 W N 0.533 121.945 121.300 0.187 0.000 2.392 10 W HA -0.068 4.592 4.660 0.000 0.000 0.279 10 W C 2.722 179.216 176.519 -0.042 0.000 1.225 10 W CA 1.063 58.440 57.345 0.054 0.000 1.233 10 W CB -0.403 29.145 29.460 0.145 0.000 1.122 10 W HN -0.052 nan 8.180 nan 0.000 0.561 11 R N 0.730 121.323 120.500 0.153 0.000 2.066 11 R HA -0.149 4.191 4.340 0.000 0.000 0.232 11 R C 1.778 178.065 176.300 -0.022 0.000 1.131 11 R CA 1.592 57.733 56.100 0.068 0.000 0.955 11 R CB -0.489 29.848 30.300 0.061 0.000 0.851 11 R HN 0.112 nan 8.270 nan 0.000 0.432 12 N N 0.667 119.332 118.700 -0.059 0.000 2.188 12 N HA -0.111 4.629 4.740 0.000 0.000 0.184 12 N C 1.585 177.031 175.510 -0.108 0.000 1.018 12 N CA 1.390 54.418 53.050 -0.036 0.000 0.858 12 N CB -0.293 38.174 38.487 -0.034 0.000 0.989 12 N HN 0.295 nan 8.380 nan 0.000 0.426 13 A N 1.234 123.895 122.820 -0.266 0.000 1.877 13 A HA -0.110 4.210 4.320 0.000 0.000 0.216 13 A C 2.302 179.861 177.584 -0.042 0.000 1.186 13 A CA 1.162 53.050 52.037 -0.249 0.000 0.620 13 A CB -0.462 18.307 19.000 -0.385 0.000 0.822 13 A HN 0.181 nan 8.150 nan 0.000 0.443 14 R N -0.903 119.608 120.500 0.018 0.000 2.081 14 R HA -0.141 4.199 4.340 0.000 0.000 0.235 14 R C 2.505 178.774 176.300 -0.052 0.000 1.131 14 R CA 1.810 57.936 56.100 0.043 0.000 0.960 14 R CB -0.238 30.097 30.300 0.059 0.000 0.856 14 R HN 0.699 nan 8.270 nan 0.000 0.436 15 Q N -1.261 118.430 119.800 -0.182 0.000 2.083 15 Q HA -0.110 4.230 4.340 0.000 0.000 0.198 15 Q C 0.769 176.494 176.000 -0.459 0.000 0.969 15 Q CA 1.080 56.637 55.803 -0.410 0.000 0.838 15 Q CB 0.307 28.589 28.738 -0.760 0.000 0.900 15 Q HN 0.570 nan 8.270 nan 0.000 0.436 16 H N -1.571 117.494 119.070 -0.009 0.000 2.674 16 H HA 0.295 4.851 4.556 0.000 0.000 0.274 16 H C -0.347 174.989 175.328 0.012 0.000 1.121 16 H CA -0.001 56.044 56.048 -0.005 0.000 1.132 16 H CB 0.628 30.373 29.762 -0.028 0.000 1.606 16 H HN 0.089 nan 8.280 nan 0.000 0.558 17 L N 1.523 122.814 121.223 0.114 0.000 2.307 17 L HA 0.329 4.669 4.340 0.000 0.000 0.284 17 L C 0.166 177.153 176.870 0.196 0.000 1.023 17 L CA -0.982 53.950 54.840 0.154 0.000 0.810 17 L CB 2.695 44.840 42.059 0.143 0.000 1.231 17 L HN -0.164 nan 8.230 nan 0.000 0.423 18 V N 3.741 123.785 119.914 0.216 0.000 2.555 18 V HA 0.179 4.299 4.120 0.000 0.000 0.286 18 V C 0.516 176.774 176.094 0.273 0.000 1.044 18 V CA -0.272 62.151 62.300 0.204 0.000 1.026 18 V CB 0.980 32.917 31.823 0.190 0.000 0.981 18 V HN 0.662 nan 8.190 nan 0.000 0.480 19 R N 3.981 124.561 120.500 0.133 0.000 2.340 19 R HA 0.276 4.616 4.340 0.000 0.000 0.300 19 R C -0.174 176.116 176.300 -0.015 0.000 1.069 19 R CA -0.152 55.909 56.100 -0.065 0.000 0.984 19 R CB 0.504 30.720 30.300 -0.140 0.000 1.003 19 R HN 0.859 nan 8.270 nan 0.000 0.459 20 Y N -0.644 119.631 120.300 -0.042 0.000 2.641 20 Y HA 0.530 5.080 4.550 0.000 0.000 0.248 20 Y C 0.306 176.193 175.900 -0.021 0.000 1.170 20 Y CA -0.582 57.517 58.100 -0.001 0.000 1.201 20 Y CB 0.833 39.326 38.460 0.054 0.000 1.232 20 Y HN 0.677 nan 8.280 nan 0.000 0.537 21 G N -0.460 108.240 108.800 -0.168 0.000 2.801 21 G HA2 0.461 4.421 3.960 0.000 0.000 0.648 21 G HA3 0.461 4.421 3.960 0.000 0.000 0.648 21 G C -0.098 174.655 174.900 -0.246 0.000 1.415 21 G CA -0.417 44.621 45.100 -0.103 0.000 0.887 21 G HN 1.305 nan 8.290 nan 0.000 0.627 22 G N 0.187 108.874 108.800 -0.188 0.000 2.553 22 G HA2 0.439 4.399 3.960 0.000 0.000 0.242 22 G HA3 0.439 4.399 3.960 0.000 0.000 0.242 22 G C 0.256 174.975 174.900 -0.301 0.000 1.277 22 G CA 0.736 45.717 45.100 -0.198 0.000 0.910 22 G HN 2.711 nan 8.290 nan 0.000 0.576 23 T N -1.884 112.506 114.554 -0.272 0.000 2.906 23 T HA 0.656 5.006 4.350 0.000 0.000 0.295 23 T C -0.356 174.210 174.700 -0.223 0.000 1.061 23 T CA -0.709 61.219 62.100 -0.287 0.000 1.000 23 T CB 1.923 70.712 68.868 -0.132 0.000 1.103 23 T HN 0.673 nan 8.240 nan 0.000 0.486 24 F N 1.576 121.520 119.950 -0.010 0.000 2.427 24 F HA 0.323 4.850 4.527 0.000 0.000 0.352 24 F C 1.289 177.152 175.800 0.105 0.000 1.100 24 F CA -0.990 57.058 58.000 0.079 0.000 1.191 24 F CB 0.767 39.879 39.000 0.188 0.000 1.128 24 F HN 0.414 nan 8.300 nan 0.000 0.533 25 E N 4.298 124.702 120.200 0.340 0.000 2.415 25 E HA 0.027 4.377 4.350 0.000 0.000 0.262 25 E C -1.938 174.831 176.600 0.281 0.000 1.038 25 E CA -1.491 55.044 56.400 0.226 0.000 0.921 25 E CB 0.277 30.091 29.700 0.189 0.000 0.950 25 E HN 0.244 nan 8.360 nan 0.000 0.438 26 P HA 0.134 nan 4.420 nan 0.000 0.214 26 P C -0.406 177.025 177.300 0.218 0.000 1.807 26 P CA 0.236 63.353 63.100 0.028 0.000 0.921 26 P CB -0.246 31.367 31.700 -0.145 0.000 1.835 27 M N -1.054 118.786 119.600 0.399 0.000 2.664 27 M HA 0.565 5.045 4.480 0.000 0.000 0.279 27 M C -1.379 175.060 176.300 0.232 0.000 1.275 27 M CA -1.385 54.088 55.300 0.288 0.000 0.829 27 M CB 2.194 34.876 32.600 0.135 0.000 1.727 27 M HN -0.319 nan 8.290 nan 0.000 0.459 28 I N 2.888 123.455 120.570 -0.004 0.000 2.382 28 I HA 0.345 4.515 4.170 0.000 0.000 0.285 28 I C -0.674 175.363 176.117 -0.134 0.000 1.007 28 I CA -0.899 60.241 61.300 -0.268 0.000 1.142 28 I CB 1.600 39.187 38.000 -0.688 0.000 1.289 28 I HN 0.515 nan 8.210 nan 0.000 0.453 29 I N 6.590 127.117 120.570 -0.071 0.000 2.379 29 I HA 0.099 4.269 4.170 0.000 0.000 0.290 29 I C 1.329 177.423 176.117 -0.039 0.000 1.063 29 I CA 0.409 61.695 61.300 -0.025 0.000 1.351 29 I CB 0.531 38.532 38.000 0.001 0.000 1.410 29 I HN 0.687 nan 8.210 nan 0.000 0.505 30 E N 5.728 125.919 120.200 -0.015 0.000 2.201 30 E HA 0.061 4.411 4.350 0.000 0.000 0.193 30 E C 0.757 177.363 176.600 0.010 0.000 0.957 30 E CA 0.300 56.688 56.400 -0.020 0.000 0.858 30 E CB 0.780 30.462 29.700 -0.029 0.000 0.816 30 E HN 0.609 nan 8.360 nan 0.000 0.475 31 R N -0.107 120.432 120.500 0.064 0.000 2.764 31 R HA 0.663 5.003 4.340 0.000 0.000 0.270 31 R C -1.858 174.546 176.300 0.174 0.000 1.014 31 R CA -0.567 55.580 56.100 0.078 0.000 0.904 31 R CB 1.861 32.163 30.300 0.003 0.000 1.236 31 R HN -0.046 nan 8.270 nan 0.000 0.466 32 A N 1.968 124.864 122.820 0.126 0.000 2.515 32 A HA 0.722 5.042 4.320 0.000 0.000 0.298 32 A C -1.536 176.181 177.584 0.221 0.000 1.059 32 A CA -0.765 51.321 52.037 0.083 0.000 0.698 32 A CB 2.085 20.892 19.000 -0.321 0.000 1.289 32 A HN 0.721 nan 8.150 nan 0.000 0.404 33 K N 1.442 122.050 120.400 0.347 0.000 2.578 33 K HA 0.477 4.797 4.320 0.000 0.000 0.263 33 K C 0.354 177.182 176.600 0.380 0.000 0.973 33 K CA 0.433 56.917 56.287 0.328 0.000 0.909 33 K CB 0.988 33.631 32.500 0.237 0.000 1.326 33 K HN 2.566 nan 8.250 nan 0.000 0.440 34 G N 2.106 111.083 108.800 0.294 0.000 2.556 34 G HA2 -0.320 3.640 3.960 0.000 0.000 0.283 34 G HA3 -0.320 3.640 3.960 0.000 0.000 0.283 34 G C 0.270 175.298 174.900 0.215 0.000 1.177 34 G CA 0.334 45.578 45.100 0.241 0.000 0.978 34 G HN 0.600 nan 8.290 nan 0.000 0.554 35 S N 0.763 116.521 115.700 0.095 0.000 2.660 35 S HA 0.528 4.998 4.470 0.000 0.000 0.227 35 S C -0.135 174.193 174.600 -0.454 0.000 0.948 35 S CA 0.396 58.498 58.200 -0.163 0.000 0.948 35 S CB -0.199 62.817 63.200 -0.307 0.000 0.779 35 S HN 0.413 nan 8.310 nan 0.000 0.487 36 F N 1.059 121.079 119.950 0.117 0.000 2.563 36 F HA 0.611 5.138 4.527 -0.000 0.000 0.316 36 F C -0.130 175.530 175.800 -0.233 0.000 1.076 36 F CA -1.336 56.591 58.000 -0.123 0.000 0.921 36 F CB 1.655 40.459 39.000 -0.327 0.000 1.209 36 F HN -0.110 nan 8.300 nan 0.000 0.462 37 V N -0.256 119.530 119.914 -0.213 0.000 2.680 37 V HA 0.657 4.777 4.120 0.000 0.000 0.309 37 V C -1.712 174.140 176.094 -0.403 0.000 1.052 37 V CA -1.006 61.154 62.300 -0.234 0.000 0.908 37 V CB 1.612 33.330 31.823 -0.175 0.000 1.001 37 V HN 0.633 nan 8.190 nan 0.000 0.431 38 Y N 2.400 122.699 120.300 -0.002 0.000 2.393 38 Y HA 0.646 5.196 4.550 0.000 0.000 0.341 38 Y C 0.237 176.125 175.900 -0.020 0.000 0.988 38 Y CA -0.790 57.307 58.100 -0.004 0.000 1.078 38 Y CB 1.506 39.955 38.460 -0.019 0.000 1.203 38 Y HN 0.970 nan 8.280 nan 0.000 0.453 39 D N 0.814 121.271 120.400 0.095 0.000 2.451 39 D HA 0.314 4.954 4.640 0.000 0.000 0.259 39 D C 1.135 177.451 176.300 0.027 0.000 1.201 39 D CA -0.249 53.777 54.000 0.043 0.000 1.028 39 D CB 0.651 41.469 40.800 0.030 0.000 1.095 39 D HN 0.553 nan 8.370 nan 0.000 0.539 40 A N -0.128 122.681 122.820 -0.019 0.000 1.986 40 A HA -0.200 4.120 4.320 0.000 0.000 0.220 40 A C 1.505 179.080 177.584 -0.015 0.000 1.171 40 A CA 1.743 53.753 52.037 -0.045 0.000 0.640 40 A CB -0.651 18.299 19.000 -0.082 0.000 0.811 40 A HN 0.598 nan 8.150 nan 0.000 0.451 41 D N -1.695 118.709 120.400 0.006 0.000 2.355 41 D HA 0.223 4.863 4.640 0.000 0.000 0.218 41 D C 1.420 177.734 176.300 0.022 0.000 1.004 41 D CA 1.125 55.131 54.000 0.010 0.000 0.880 41 D CB 0.111 40.919 40.800 0.014 0.000 0.911 41 D HN 0.646 nan 8.370 nan 0.000 0.528 42 G N 1.582 110.411 108.800 0.048 0.000 2.176 42 G HA2 -0.306 3.654 3.960 0.000 0.000 0.232 42 G HA3 -0.306 3.654 3.960 0.000 0.000 0.232 42 G C 0.470 175.461 174.900 0.151 0.000 0.986 42 G CA -0.147 45.005 45.100 0.087 0.000 0.643 42 G HN 0.355 nan 8.290 nan 0.000 0.522 43 R N 1.001 121.554 120.500 0.089 0.000 2.522 43 R HA 0.499 4.839 4.340 0.000 0.000 0.284 43 R C 0.765 177.076 176.300 0.019 0.000 1.032 43 R CA 0.581 56.711 56.100 0.049 0.000 1.049 43 R CB 0.181 30.493 30.300 0.020 0.000 0.956 43 R HN 0.626 nan 8.270 nan 0.000 0.422 44 A N 5.549 128.333 122.820 -0.060 0.000 2.320 44 A HA 0.393 4.713 4.320 0.000 0.000 0.287 44 A C -0.639 176.880 177.584 -0.108 0.000 1.181 44 A CA -0.567 51.284 52.037 -0.310 0.000 0.831 44 A CB 0.430 19.160 19.000 -0.450 0.000 1.102 44 A HN 0.636 nan 8.150 nan 0.000 0.513 45 I N 2.817 123.337 120.570 -0.084 0.000 2.382 45 I HA 0.231 4.401 4.170 0.000 0.000 0.286 45 I C -0.220 175.936 176.117 0.066 0.000 1.002 45 I CA -0.391 60.913 61.300 0.008 0.000 1.135 45 I CB 1.694 39.671 38.000 -0.037 0.000 1.288 45 I HN 0.615 nan 8.210 nan 0.000 0.448 46 L N 6.399 127.635 121.223 0.023 0.000 2.433 46 L HA 0.238 4.578 4.340 0.000 0.000 0.275 46 L C 0.202 176.946 176.870 -0.211 0.000 1.128 46 L CA 0.407 55.043 54.840 -0.340 0.000 0.875 46 L CB 0.030 41.887 42.059 -0.337 0.000 1.171 46 L HN 0.476 nan 8.230 nan 0.000 0.463 47 D N 4.544 124.836 120.400 -0.180 0.000 2.470 47 D HA -0.019 4.621 4.640 0.000 0.000 0.226 47 D C 0.440 176.820 176.300 0.134 0.000 1.196 47 D CA 0.074 54.085 54.000 0.019 0.000 0.979 47 D CB -0.028 40.842 40.800 0.116 0.000 1.059 47 D HN 0.495 nan 8.370 nan 0.000 0.515 48 F N 1.251 121.144 119.950 -0.096 0.000 2.804 48 F HA 0.029 4.556 4.527 -0.000 0.000 0.303 48 F C 1.983 177.752 175.800 -0.052 0.000 1.154 48 F CA 0.418 58.366 58.000 -0.087 0.000 1.401 48 F CB -0.035 38.912 39.000 -0.088 0.000 1.106 48 F HN 0.303 nan 8.300 nan 0.000 0.568 49 T N -5.679 108.927 114.554 0.087 0.000 3.091 49 T HA 0.150 4.500 4.350 0.000 0.000 0.277 49 T C 0.767 175.466 174.700 -0.001 0.000 0.996 49 T CA 0.358 62.472 62.100 0.024 0.000 0.897 49 T CB -0.214 68.683 68.868 0.048 0.000 1.109 49 T HN -0.098 nan 8.240 nan 0.000 0.534 50 S N 1.144 116.842 115.700 -0.003 0.000 3.631 50 S HA 0.019 4.489 4.470 0.000 0.000 0.366 50 S C 1.466 176.057 174.600 -0.014 0.000 0.993 50 S CA 1.043 59.215 58.200 -0.048 0.000 1.167 50 S CB -1.888 61.260 63.200 -0.086 0.000 0.909 50 S HN 1.897 nan 8.310 nan 0.000 0.478 51 G N 0.929 109.779 108.800 0.084 0.000 2.536 51 G HA2 -0.354 3.606 3.960 0.000 0.000 0.277 51 G HA3 -0.354 3.606 3.960 0.000 0.000 0.277 51 G C -0.098 174.844 174.900 0.070 0.000 1.155 51 G CA 0.643 45.818 45.100 0.126 0.000 0.960 51 G HN 0.838 nan 8.290 nan 0.000 0.544 52 Q N 0.388 120.219 119.800 0.052 0.000 2.579 52 Q HA 0.657 4.997 4.340 0.000 0.000 0.344 52 Q C 0.866 176.865 176.000 -0.001 0.000 0.997 52 Q CA 0.613 56.432 55.803 0.026 0.000 0.991 52 Q CB -0.890 27.869 28.738 0.035 0.000 1.279 52 Q HN 0.736 nan 8.270 nan 0.000 0.420 53 M N -1.322 118.273 119.600 -0.009 0.000 2.653 53 M HA -0.276 4.204 4.480 0.000 0.000 0.203 53 M C 0.362 176.644 176.300 -0.030 0.000 0.502 53 M CA 0.942 56.225 55.300 -0.029 0.000 0.601 53 M CB -1.949 30.630 32.600 -0.036 0.000 2.228 53 M HN 0.222 nan 8.290 nan 0.000 0.711 54 S N -1.381 114.301 115.700 -0.031 0.000 2.613 54 S HA 0.453 4.923 4.470 0.000 0.000 0.235 54 S C 1.106 175.665 174.600 -0.068 0.000 1.073 54 S CA 0.195 58.375 58.200 -0.034 0.000 0.899 54 S CB 0.608 63.801 63.200 -0.011 0.000 0.818 54 S HN 0.687 nan 8.310 nan 0.000 0.484 55 A N 2.132 124.884 122.820 -0.114 0.000 3.076 55 A HA 0.262 4.582 4.320 0.000 0.000 0.269 55 A C 1.367 178.859 177.584 -0.154 0.000 1.916 55 A CA 0.050 51.970 52.037 -0.195 0.000 1.492 55 A CB -0.928 17.799 19.000 -0.455 0.000 1.000 55 A HN 0.243 nan 8.150 nan 0.000 0.615 56 V N 1.287 121.135 119.914 -0.110 0.000 2.407 56 V HA -0.183 3.937 4.120 0.000 0.000 0.248 56 V C 1.856 177.889 176.094 -0.102 0.000 1.055 56 V CA 2.087 64.327 62.300 -0.101 0.000 1.049 56 V CB -0.198 31.571 31.823 -0.091 0.000 0.662 56 V HN 0.813 nan 8.190 nan 0.000 0.455 57 L N -0.314 120.842 121.223 -0.111 0.000 2.653 57 L HA 0.457 4.797 4.340 0.000 0.000 0.231 57 L C 0.981 177.880 176.870 0.049 0.000 1.153 57 L CA 0.400 55.183 54.840 -0.095 0.000 0.933 57 L CB -0.706 41.153 42.059 -0.335 0.000 1.175 57 L HN 0.483 nan 8.230 nan 0.000 0.473 58 G N 0.028 108.797 108.800 -0.051 0.000 2.828 58 G HA2 -0.213 3.747 3.960 0.000 0.000 0.463 58 G HA3 -0.213 3.747 3.960 0.000 0.000 0.463 58 G C -0.457 174.374 174.900 -0.115 0.000 1.394 58 G CA -0.818 44.232 45.100 -0.083 0.000 0.862 58 G HN 0.292 nan 8.290 nan 0.000 0.540 59 H N -0.681 118.448 119.070 0.097 0.000 2.722 59 H HA 0.288 4.843 4.556 -0.000 0.000 0.328 59 H C 1.436 176.832 175.328 0.114 0.000 1.067 59 H CA 0.813 56.923 56.048 0.103 0.000 1.447 59 H CB 0.316 30.145 29.762 0.112 0.000 1.469 59 H HN 1.275 nan 8.280 nan 0.000 0.544 60 C N 2.796 122.226 119.300 0.216 0.000 3.727 60 C HA -0.198 4.262 4.460 0.000 0.000 0.293 60 C C 0.977 176.051 174.990 0.140 0.000 1.339 60 C CA 0.226 59.340 59.018 0.159 0.000 2.150 60 C CB -3.368 24.454 27.740 0.137 0.000 1.383 60 C HN 0.843 nan 8.230 nan 0.000 0.614 61 H N 2.410 121.515 119.070 0.057 0.000 2.929 61 H HA 0.189 4.745 4.556 -0.000 0.000 0.317 61 H C -0.371 174.981 175.328 0.041 0.000 1.031 61 H CA -0.165 55.909 56.048 0.043 0.000 1.466 61 H CB 0.949 30.724 29.762 0.022 0.000 1.482 61 H HN 0.240 nan 8.280 nan 0.000 0.561 62 P HA -0.256 nan 4.420 nan 0.000 0.218 62 P C 0.642 177.995 177.300 0.089 0.000 1.152 62 P CA 1.612 64.700 63.100 -0.019 0.000 0.857 62 P CB 0.346 31.987 31.700 -0.098 0.000 0.787 63 E N -0.960 119.376 120.200 0.226 0.000 2.152 63 E HA -0.071 4.279 4.350 0.000 0.000 0.192 63 E C 2.082 178.774 176.600 0.152 0.000 0.983 63 E CA 0.696 57.217 56.400 0.201 0.000 0.818 63 E CB -0.404 29.445 29.700 0.247 0.000 0.758 63 E HN 0.226 nan 8.360 nan 0.000 0.467 64 I N 1.319 121.994 120.570 0.175 0.000 2.202 64 I HA -0.186 3.984 4.170 0.000 0.000 0.242 64 I C 2.571 178.745 176.117 0.096 0.000 1.091 64 I CA 0.821 62.184 61.300 0.105 0.000 1.368 64 I CB -1.241 36.821 38.000 0.104 0.000 1.058 64 I HN -0.065 nan 8.210 nan 0.000 0.410 65 V N 1.020 120.995 119.914 0.102 0.000 2.332 65 V HA -0.289 3.831 4.120 0.000 0.000 0.248 65 V C 2.834 178.973 176.094 0.075 0.000 1.055 65 V CA 2.155 64.502 62.300 0.079 0.000 1.038 65 V CB -0.963 30.899 31.823 0.066 0.000 0.651 65 V HN 0.553 nan 8.190 nan 0.000 0.450 66 S N -0.475 115.272 115.700 0.079 0.000 2.348 66 S HA -0.202 4.268 4.470 0.000 0.000 0.221 66 S C 2.086 176.746 174.600 0.100 0.000 1.033 66 S CA 2.022 60.267 58.200 0.075 0.000 1.010 66 S CB -0.458 62.785 63.200 0.071 0.000 0.891 66 S HN 0.282 nan 8.310 nan 0.000 0.442 67 V N 1.461 121.446 119.914 0.118 0.000 2.252 67 V HA -0.157 3.963 4.120 0.000 0.000 0.249 67 V C 2.405 178.616 176.094 0.195 0.000 1.056 67 V CA 2.341 64.742 62.300 0.169 0.000 1.022 67 V CB -0.609 31.283 31.823 0.115 0.000 0.641 67 V HN 0.649 nan 8.190 nan 0.000 0.445 68 I N 0.064 120.708 120.570 0.122 0.000 2.127 68 I HA -0.203 3.967 4.170 0.000 0.000 0.241 68 I C 2.548 178.737 176.117 0.120 0.000 1.075 68 I CA 1.920 63.285 61.300 0.109 0.000 1.334 68 I CB -0.965 37.079 38.000 0.074 0.000 1.040 68 I HN 0.444 nan 8.210 nan 0.000 0.405 69 G N -0.324 108.532 108.800 0.093 0.000 2.459 69 G HA2 -0.326 3.634 3.960 0.000 0.000 0.217 69 G HA3 -0.326 3.634 3.960 0.000 0.000 0.217 69 G C 1.475 176.419 174.900 0.073 0.000 1.183 69 G CA 0.998 46.140 45.100 0.070 0.000 0.776 69 G HN 0.437 nan 8.290 nan 0.000 0.552 70 E N -0.691 119.558 120.200 0.082 0.000 2.113 70 E HA -0.269 4.081 4.350 0.000 0.000 0.210 70 E C 2.119 178.687 176.600 -0.054 0.000 1.040 70 E CA 1.764 58.178 56.400 0.024 0.000 0.847 70 E CB -0.234 29.518 29.700 0.086 0.000 0.755 70 E HN 0.634 nan 8.360 nan 0.000 0.459 71 Y N -1.099 119.216 120.300 0.025 0.000 2.503 71 Y HA 0.231 4.782 4.550 0.001 0.000 0.278 71 Y C 1.992 177.911 175.900 0.031 0.000 1.111 71 Y CA 0.463 58.579 58.100 0.028 0.000 1.270 71 Y CB -0.103 38.374 38.460 0.028 0.000 1.063 71 Y HN 0.123 nan 8.280 nan 0.000 0.548 72 A N 0.075 122.993 122.820 0.163 0.000 1.948 72 A HA -0.179 4.141 4.320 0.000 0.000 0.220 72 A C 2.290 179.918 177.584 0.074 0.000 1.177 72 A CA 2.027 54.127 52.037 0.106 0.000 0.636 72 A CB -1.190 17.857 19.000 0.078 0.000 0.815 72 A HN 0.431 nan 8.150 nan 0.000 0.449 73 G N -2.136 106.691 108.800 0.046 0.000 3.393 73 G HA2 0.308 4.268 3.960 0.000 0.000 0.255 73 G HA3 0.308 4.268 3.960 0.000 0.000 0.255 73 G C 0.984 175.882 174.900 -0.003 0.000 1.097 73 G CA 0.653 45.765 45.100 0.021 0.000 0.780 73 G HN 0.496 nan 8.290 nan 0.000 0.540 74 K N -1.112 119.282 120.400 -0.011 0.000 2.410 74 K HA 0.366 4.687 4.320 0.000 0.000 0.204 74 K C -0.719 175.888 176.600 0.012 0.000 1.268 74 K CA -0.104 56.152 56.287 -0.052 0.000 0.896 74 K CB 0.514 32.890 32.500 -0.206 0.000 1.401 74 K HN 0.119 nan 8.250 nan 0.000 0.479 75 L N 2.578 123.855 121.223 0.090 0.000 2.541 75 L HA 0.245 4.585 4.340 0.000 0.000 0.266 75 L C -0.874 176.111 176.870 0.193 0.000 0.966 75 L CA -0.236 54.696 54.840 0.152 0.000 0.871 75 L CB 1.688 43.883 42.059 0.226 0.000 1.232 75 L HN 0.345 nan 8.230 nan 0.000 0.408 76 D N 1.924 122.413 120.400 0.148 0.000 3.161 76 D HA 0.134 4.774 4.640 0.000 0.000 0.287 76 D C 0.188 176.602 176.300 0.190 0.000 1.343 76 D CA 0.582 54.679 54.000 0.162 0.000 1.070 76 D CB 0.206 41.096 40.800 0.150 0.000 1.188 76 D HN 0.513 nan 8.370 nan 0.000 0.409 77 H N -0.739 118.387 119.070 0.094 0.000 2.717 77 H HA 0.705 5.260 4.556 -0.000 0.000 0.366 77 H C -1.432 173.947 175.328 0.086 0.000 1.132 77 H CA -0.811 55.296 56.048 0.098 0.000 1.180 77 H CB 1.521 31.355 29.762 0.120 0.000 1.678 77 H HN 0.073 nan 8.280 nan 0.000 0.537 78 L N 3.105 123.854 121.223 -0.791 0.000 2.359 78 L HA 0.339 4.679 4.340 0.000 0.000 0.256 78 L C -0.675 175.925 176.870 -0.450 0.000 1.026 78 L CA -1.366 53.211 54.840 -0.438 0.000 0.828 78 L CB 1.694 43.666 42.059 -0.146 0.000 1.406 78 L HN 0.557 nan 8.230 nan 0.000 0.413 79 F N 0.407 120.218 119.950 -0.232 0.000 2.572 79 F HA 0.012 4.538 4.527 -0.000 0.000 0.370 79 F C 1.327 177.057 175.800 -0.118 0.000 1.103 79 F CA 0.195 58.134 58.000 -0.102 0.000 1.286 79 F CB 0.998 39.991 39.000 -0.012 0.000 1.105 79 F HN 0.437 nan 8.300 nan 0.000 0.583 80 S N 3.558 118.814 115.700 -0.740 0.000 2.584 80 S HA -0.040 4.430 4.470 0.000 0.000 0.240 80 S C 1.797 176.069 174.600 -0.545 0.000 0.975 80 S CA 0.879 58.664 58.200 -0.692 0.000 0.949 80 S CB -0.454 62.154 63.200 -0.986 0.000 0.761 80 S HN 0.920 nan 8.310 nan 0.000 0.536 81 G N 0.224 108.639 108.800 -0.642 0.000 3.126 81 G HA2 0.337 4.297 3.960 0.000 0.000 0.224 81 G HA3 0.337 4.297 3.960 0.000 0.000 0.224 81 G C 0.146 175.071 174.900 0.041 0.000 1.142 81 G CA -0.330 44.671 45.100 -0.166 0.000 0.759 81 G HN 0.361 nan 8.290 nan 0.000 0.550 82 M N 1.482 121.100 119.600 0.029 0.000 2.205 82 M HA 0.440 4.920 4.480 0.000 0.000 0.344 82 M C -0.604 175.704 176.300 0.015 0.000 1.085 82 M CA -0.319 55.028 55.300 0.078 0.000 1.001 82 M CB 2.290 34.971 32.600 0.135 0.000 1.626 82 M HN -0.156 nan 8.290 nan 0.000 0.442 83 L N 1.992 123.230 121.223 0.025 0.000 2.379 83 L HA 0.667 5.007 4.340 0.000 0.000 0.269 83 L C 0.312 177.195 176.870 0.023 0.000 1.084 83 L CA -0.405 54.443 54.840 0.013 0.000 0.802 83 L CB 1.626 43.694 42.059 0.014 0.000 1.175 83 L HN 0.809 nan 8.230 nan 0.000 0.448 84 S N 0.508 116.220 115.700 0.020 0.000 2.618 84 S HA 0.466 4.936 4.470 0.000 0.000 0.277 84 S C 0.341 174.962 174.600 0.035 0.000 1.138 84 S CA -0.976 57.246 58.200 0.037 0.000 0.844 84 S CB 2.064 65.292 63.200 0.047 0.000 1.127 84 S HN 0.592 nan 8.310 nan 0.000 0.474 85 R N 0.505 121.038 120.500 0.055 0.000 2.081 85 R HA 0.043 4.383 4.340 0.000 0.000 0.235 85 R C -1.022 175.297 176.300 0.032 0.000 1.131 85 R CA 1.882 58.013 56.100 0.052 0.000 0.960 85 R CB -1.477 28.866 30.300 0.072 0.000 0.856 85 R HN 0.539 nan 8.270 nan 0.000 0.436 86 P HA -0.098 nan 4.420 nan 0.000 0.218 86 P C 1.254 178.526 177.300 -0.047 0.000 1.149 86 P CA 0.976 64.044 63.100 -0.054 0.000 0.817 86 P CB 0.076 31.661 31.700 -0.192 0.000 0.785 87 V N -0.326 119.571 119.914 -0.030 0.000 2.261 87 V HA -0.197 3.923 4.120 0.000 0.000 0.246 87 V C 2.498 178.583 176.094 -0.016 0.000 1.047 87 V CA 1.813 64.099 62.300 -0.025 0.000 1.015 87 V CB -1.217 30.594 31.823 -0.021 0.000 0.642 87 V HN -0.044 nan 8.190 nan 0.000 0.446 88 V N 0.238 120.148 119.914 -0.006 0.000 2.343 88 V HA -0.236 3.884 4.120 0.000 0.000 0.247 88 V C 2.269 178.362 176.094 -0.002 0.000 1.051 88 V CA 2.115 64.414 62.300 -0.003 0.000 1.036 88 V CB -0.742 31.083 31.823 0.004 0.000 0.654 88 V HN 0.557 nan 8.190 nan 0.000 0.451 89 D N -0.107 120.293 120.400 0.000 0.000 2.117 89 D HA -0.141 4.499 4.640 0.000 0.000 0.197 89 D C 2.122 178.419 176.300 -0.004 0.000 0.987 89 D CA 1.061 55.062 54.000 0.001 0.000 0.829 89 D CB -0.249 40.554 40.800 0.006 0.000 0.961 89 D HN 0.294 nan 8.370 nan 0.000 0.460 90 L N 0.563 121.777 121.223 -0.014 0.000 2.017 90 L HA -0.165 4.175 4.340 0.000 0.000 0.208 90 L C 2.321 179.187 176.870 -0.006 0.000 1.073 90 L CA 1.330 56.162 54.840 -0.013 0.000 0.745 90 L CB -0.357 41.687 42.059 -0.025 0.000 0.894 90 L HN -0.020 nan 8.230 nan 0.000 0.432 91 A N -0.700 122.114 122.820 -0.010 0.000 1.917 91 A HA -0.247 4.074 4.320 0.000 0.000 0.219 91 A C 2.208 179.787 177.584 -0.008 0.000 1.182 91 A CA 2.509 54.539 52.037 -0.012 0.000 0.633 91 A CB -1.025 17.966 19.000 -0.015 0.000 0.819 91 A HN 0.483 nan 8.150 nan 0.000 0.448 92 T N -0.779 113.773 114.554 -0.004 0.000 2.708 92 T HA -0.154 4.196 4.350 0.000 0.000 0.266 92 T C 2.102 176.806 174.700 0.007 0.000 1.037 92 T CA 1.751 63.851 62.100 -0.000 0.000 1.146 92 T CB -0.238 68.631 68.868 0.002 0.000 0.865 92 T HN 0.526 nan 8.240 nan 0.000 0.435 93 R N 1.169 121.675 120.500 0.011 0.000 2.083 93 R HA 0.036 4.376 4.340 0.000 0.000 0.237 93 R C 2.266 178.589 176.300 0.039 0.000 1.137 93 R CA 1.414 57.528 56.100 0.023 0.000 0.951 93 R CB -1.014 29.298 30.300 0.020 0.000 0.851 93 R HN 0.391 nan 8.270 nan 0.000 0.434 94 L N -0.202 121.041 121.223 0.033 0.000 2.079 94 L HA -0.154 4.186 4.340 0.000 0.000 0.210 94 L C 2.488 179.366 176.870 0.013 0.000 1.081 94 L CA 1.416 56.280 54.840 0.040 0.000 0.752 94 L CB -0.627 41.438 42.059 0.010 0.000 0.896 94 L HN 0.365 nan 8.230 nan 0.000 0.433 95 A N -0.008 122.812 122.820 -0.001 0.000 1.897 95 A HA -0.165 4.155 4.320 0.000 0.000 0.215 95 A C 2.042 179.630 177.584 0.007 0.000 1.181 95 A CA 1.539 53.569 52.037 -0.012 0.000 0.620 95 A CB -0.446 18.545 19.000 -0.015 0.000 0.821 95 A HN 0.402 nan 8.150 nan 0.000 0.443 96 N N 0.327 119.039 118.700 0.020 0.000 2.244 96 N HA -0.103 4.637 4.740 0.000 0.000 0.183 96 N C 1.582 177.123 175.510 0.053 0.000 1.016 96 N CA 1.737 54.804 53.050 0.029 0.000 0.866 96 N CB -0.363 38.138 38.487 0.024 0.000 0.980 96 N HN 0.803 nan 8.380 nan 0.000 0.430 97 I N -1.846 118.778 120.570 0.089 0.000 3.968 97 I HA 0.160 4.330 4.170 0.000 0.000 0.328 97 I C 0.219 176.488 176.117 0.252 0.000 1.290 97 I CA -0.109 61.281 61.300 0.150 0.000 1.163 97 I CB -0.099 37.998 38.000 0.162 0.000 1.024 97 I HN -0.177 nan 8.210 nan 0.000 0.413 98 T N 0.056 114.697 114.554 0.144 0.000 2.902 98 T HA 0.522 4.872 4.350 0.000 0.000 0.280 98 T C -2.420 172.297 174.700 0.029 0.000 0.992 98 T CA -1.714 60.408 62.100 0.036 0.000 1.015 98 T CB 0.826 69.578 68.868 -0.193 0.000 1.044 98 T HN -0.059 nan 8.240 nan 0.000 0.520 99 P HA 0.266 nan 4.420 nan 0.000 0.271 99 P C -2.617 174.676 177.300 -0.012 0.000 1.233 99 P CA -1.431 61.678 63.100 0.014 0.000 0.789 99 P CB -1.066 30.641 31.700 0.012 0.000 0.951 100 P HA 0.115 nan 4.420 nan 0.000 0.265 100 P C 0.934 178.220 177.300 -0.024 0.000 1.193 100 P CA 1.173 64.266 63.100 -0.012 0.000 0.765 100 P CB -0.049 31.647 31.700 -0.007 0.000 0.823 101 G N 1.903 110.685 108.800 -0.030 0.000 2.211 101 G HA2 -0.159 3.801 3.960 0.000 0.000 0.201 101 G HA3 -0.159 3.801 3.960 0.000 0.000 0.201 101 G C -0.337 174.532 174.900 -0.052 0.000 0.997 101 G CA -0.524 44.553 45.100 -0.038 0.000 0.652 101 G HN 0.456 nan 8.290 nan 0.000 0.500 102 L N 1.509 122.697 121.223 -0.060 0.000 2.316 102 L HA 0.545 4.885 4.340 0.000 0.000 0.280 102 L C -0.069 176.762 176.870 -0.065 0.000 1.006 102 L CA -0.820 53.972 54.840 -0.080 0.000 0.836 102 L CB 1.503 43.491 42.059 -0.118 0.000 1.221 102 L HN 0.010 nan 8.230 nan 0.000 0.418 103 D N 1.577 121.940 120.400 -0.061 0.000 2.482 103 D HA 0.160 4.800 4.640 0.000 0.000 0.251 103 D C 0.440 176.711 176.300 -0.048 0.000 1.073 103 D CA 0.334 54.305 54.000 -0.048 0.000 0.892 103 D CB 0.984 41.759 40.800 -0.042 0.000 1.202 103 D HN 0.379 nan 8.370 nan 0.000 0.496 104 R N 0.551 121.017 120.500 -0.058 0.000 2.599 104 R HA 0.760 5.100 4.340 0.000 0.000 0.295 104 R C -0.845 175.419 176.300 -0.061 0.000 0.963 104 R CA -0.544 55.523 56.100 -0.055 0.000 0.883 104 R CB 2.660 32.925 30.300 -0.058 0.000 1.171 104 R HN -0.063 nan 8.270 nan 0.000 0.450 105 A N 2.372 125.163 122.820 -0.048 0.000 2.384 105 A HA 0.713 5.033 4.320 0.000 0.000 0.312 105 A C -1.598 175.968 177.584 -0.030 0.000 1.113 105 A CA -0.652 51.357 52.037 -0.047 0.000 0.779 105 A CB 1.482 20.458 19.000 -0.040 0.000 1.307 105 A HN 0.504 nan 8.150 nan 0.000 0.436 106 L N 1.741 122.947 121.223 -0.029 0.000 2.343 106 L HA 0.617 4.957 4.340 0.000 0.000 0.278 106 L C -1.386 175.479 176.870 -0.008 0.000 0.996 106 L CA -0.222 54.616 54.840 -0.004 0.000 0.831 106 L CB 1.141 43.207 42.059 0.011 0.000 1.232 106 L HN 0.574 nan 8.230 nan 0.000 0.413 107 L N 6.544 127.768 121.223 0.002 0.000 2.265 107 L HA 0.514 4.854 4.340 0.000 0.000 0.289 107 L C -0.226 176.658 176.870 0.024 0.000 1.033 107 L CA -0.251 54.592 54.840 0.004 0.000 0.814 107 L CB 0.923 42.980 42.059 -0.003 0.000 1.203 107 L HN 0.622 nan 8.230 nan 0.000 0.423 108 L N 0.999 122.241 121.223 0.032 0.000 2.535 108 L HA 0.547 4.887 4.340 0.000 0.000 0.259 108 L C 0.917 177.826 176.870 0.065 0.000 1.263 108 L CA -0.365 54.514 54.840 0.066 0.000 1.282 108 L CB 1.492 43.593 42.059 0.070 0.000 1.901 108 L HN 0.516 nan 8.230 nan 0.000 0.572 109 S N -1.894 113.856 115.700 0.083 0.000 2.641 109 S HA 0.092 4.562 4.470 0.000 0.000 0.239 109 S C 0.344 174.973 174.600 0.049 0.000 1.081 109 S CA 0.315 58.550 58.200 0.059 0.000 0.904 109 S CB 0.598 63.839 63.200 0.069 0.000 0.803 109 S HN 0.803 nan 8.310 nan 0.000 0.510 110 T N -1.273 113.321 114.554 0.067 0.000 2.930 110 T HA 0.654 5.004 4.350 0.000 0.000 0.290 110 T C 1.289 176.029 174.700 0.067 0.000 1.052 110 T CA -0.079 62.060 62.100 0.064 0.000 1.017 110 T CB 1.453 70.363 68.868 0.070 0.000 1.137 110 T HN 0.040 nan 8.240 nan 0.000 0.511 111 G N 0.552 109.399 108.800 0.078 0.000 2.459 111 G HA2 -0.010 3.950 3.960 0.000 0.000 0.217 111 G HA3 -0.010 3.950 3.960 0.000 0.000 0.217 111 G C 1.757 176.710 174.900 0.088 0.000 1.183 111 G CA 0.969 46.124 45.100 0.091 0.000 0.776 111 G HN 1.195 nan 8.290 nan 0.000 0.552 112 A N 0.563 123.441 122.820 0.098 0.000 1.908 112 A HA -0.098 4.222 4.320 0.000 0.000 0.218 112 A C 2.168 179.791 177.584 0.065 0.000 1.181 112 A CA 2.154 54.236 52.037 0.074 0.000 0.627 112 A CB -0.516 18.523 19.000 0.064 0.000 0.818 112 A HN 0.503 nan 8.150 nan 0.000 0.445 113 E N 0.163 120.414 120.200 0.086 0.000 2.077 113 E HA -0.186 4.164 4.350 0.000 0.000 0.193 113 E C 2.286 178.882 176.600 -0.006 0.000 0.989 113 E CA 1.548 58.022 56.400 0.124 0.000 0.800 113 E CB -0.118 29.680 29.700 0.164 0.000 0.746 113 E HN 0.779 nan 8.360 nan 0.000 0.452 114 S N 0.704 116.392 115.700 -0.021 0.000 2.356 114 S HA -0.157 4.313 4.470 0.000 0.000 0.223 114 S C 1.751 176.287 174.600 -0.107 0.000 1.032 114 S CA 1.243 59.392 58.200 -0.085 0.000 1.005 114 S CB -0.421 62.762 63.200 -0.028 0.000 0.867 114 S HN 0.234 nan 8.310 nan 0.000 0.449 115 N N 1.757 120.428 118.700 -0.048 0.000 2.188 115 N HA -0.030 4.710 4.740 0.000 0.000 0.184 115 N C 1.797 177.259 175.510 -0.080 0.000 1.018 115 N CA 1.344 54.353 53.050 -0.067 0.000 0.858 115 N CB -0.429 38.032 38.487 -0.044 0.000 0.989 115 N HN 0.602 nan 8.380 nan 0.000 0.426 116 E N 1.037 121.210 120.200 -0.044 0.000 2.077 116 E HA -0.074 4.276 4.350 0.000 0.000 0.193 116 E C 1.907 178.462 176.600 -0.075 0.000 0.989 116 E CA 0.857 57.270 56.400 0.022 0.000 0.800 116 E CB -0.151 29.663 29.700 0.190 0.000 0.746 116 E HN 0.317 nan 8.360 nan 0.000 0.452 117 A N 1.631 124.167 122.820 -0.474 0.000 1.902 117 A HA -0.105 4.215 4.320 0.000 0.000 0.217 117 A C 2.410 179.871 177.584 -0.206 0.000 1.181 117 A CA 1.962 53.508 52.037 -0.818 0.000 0.623 117 A CB -0.488 17.817 19.000 -1.160 0.000 0.818 117 A HN 0.277 nan 8.150 nan 0.000 0.443 118 A N -0.248 122.468 122.820 -0.174 0.000 1.872 118 A HA 0.005 4.325 4.320 0.000 0.000 0.214 118 A C 2.111 179.662 177.584 -0.054 0.000 1.187 118 A CA 1.380 53.349 52.037 -0.112 0.000 0.614 118 A CB -0.551 18.382 19.000 -0.112 0.000 0.826 118 A HN 0.465 nan 8.150 nan 0.000 0.442 119 I N -0.848 119.697 120.570 -0.041 0.000 2.226 119 I HA -0.242 3.928 4.170 0.000 0.000 0.245 119 I C 2.704 178.855 176.117 0.057 0.000 1.100 119 I CA 1.513 62.809 61.300 -0.007 0.000 1.374 119 I CB -0.273 37.715 38.000 -0.020 0.000 1.057 119 I HN 0.366 nan 8.210 nan 0.000 0.413 120 R N 1.023 121.592 120.500 0.116 0.000 2.081 120 R HA -0.229 4.111 4.340 0.000 0.000 0.235 120 R C 2.400 178.852 176.300 0.253 0.000 1.131 120 R CA 1.823 58.050 56.100 0.211 0.000 0.960 120 R CB -0.280 30.214 30.300 0.323 0.000 0.856 120 R HN 0.310 nan 8.270 nan 0.000 0.436 121 M N 0.078 119.818 119.600 0.234 0.000 2.117 121 M HA -0.132 4.348 4.480 0.000 0.000 0.262 121 M C 2.099 178.398 176.300 -0.001 0.000 1.065 121 M CA 2.022 57.336 55.300 0.023 0.000 1.114 121 M CB -0.114 32.269 32.600 -0.363 0.000 1.361 121 M HN 0.285 nan 8.290 nan 0.000 0.408 122 A N 0.493 123.314 122.820 0.002 0.000 1.933 122 A HA -0.189 4.131 4.320 0.000 0.000 0.218 122 A C 2.024 179.629 177.584 0.035 0.000 1.175 122 A CA 1.939 53.978 52.037 0.003 0.000 0.628 122 A CB -0.514 18.485 19.000 -0.002 0.000 0.814 122 A HN 0.580 nan 8.150 nan 0.000 0.444 123 K N -0.972 119.469 120.400 0.067 0.000 2.057 123 K HA -0.046 4.274 4.320 0.000 0.000 0.206 123 K C 1.899 178.554 176.600 0.091 0.000 1.050 123 K CA 1.202 57.542 56.287 0.089 0.000 0.935 123 K CB -0.306 32.262 32.500 0.112 0.000 0.715 123 K HN 0.367 nan 8.250 nan 0.000 0.439 124 L N 0.790 122.077 121.223 0.107 0.000 1.994 124 L HA -0.157 4.183 4.340 0.000 0.000 0.208 124 L C 2.002 178.912 176.870 0.068 0.000 1.071 124 L CA 1.559 56.463 54.840 0.107 0.000 0.745 124 L CB -0.429 41.735 42.059 0.174 0.000 0.892 124 L HN -0.078 nan 8.230 nan 0.000 0.431 125 V N -0.392 119.549 119.914 0.044 0.000 2.407 125 V HA -0.266 3.854 4.120 0.000 0.000 0.248 125 V C 2.515 178.620 176.094 0.019 0.000 1.055 125 V CA 2.086 64.398 62.300 0.019 0.000 1.049 125 V CB -0.981 30.836 31.823 -0.010 0.000 0.662 125 V HN 0.786 nan 8.190 nan 0.000 0.455 126 T N -3.380 111.189 114.554 0.024 0.000 3.051 126 T HA 0.242 4.592 4.350 0.000 0.000 0.255 126 T C 1.626 176.343 174.700 0.030 0.000 1.085 126 T CA 0.876 62.988 62.100 0.020 0.000 1.109 126 T CB 0.477 69.354 68.868 0.015 0.000 0.921 126 T HN 0.918 nan 8.240 nan 0.000 0.488 127 G N 1.335 110.163 108.800 0.047 0.000 2.155 127 G HA2 -0.254 3.706 3.960 0.000 0.000 0.257 127 G HA3 -0.254 3.706 3.960 0.000 0.000 0.257 127 G C -0.025 174.923 174.900 0.079 0.000 0.983 127 G CA 0.615 45.751 45.100 0.060 0.000 0.676 127 G HN 0.699 nan 8.290 nan 0.000 0.528 128 K N -1.931 118.510 120.400 0.069 0.000 2.312 128 K HA 0.759 5.079 4.320 0.000 0.000 0.236 128 K C 0.522 177.192 176.600 0.118 0.000 1.079 128 K CA -0.489 55.825 56.287 0.045 0.000 0.900 128 K CB 0.923 33.394 32.500 -0.048 0.000 1.297 128 K HN 0.410 nan 8.250 nan 0.000 0.498 129 Y N -2.166 118.157 120.300 0.037 0.000 2.532 129 Y HA 0.375 4.925 4.550 -0.000 0.000 0.282 129 Y C -0.554 175.363 175.900 0.029 0.000 1.013 129 Y CA -0.683 57.433 58.100 0.028 0.000 1.159 129 Y CB 0.113 38.583 38.460 0.016 0.000 1.393 129 Y HN 0.347 nan 8.280 nan 0.000 0.580 130 E N 3.129 123.179 120.200 -0.251 0.000 2.344 130 E HA 0.297 4.647 4.350 0.000 0.000 0.270 130 E C -0.614 176.014 176.600 0.047 0.000 1.021 130 E CA -0.106 56.276 56.400 -0.029 0.000 0.887 130 E CB 1.214 30.927 29.700 0.020 0.000 0.997 130 E HN 0.167 nan 8.360 nan 0.000 0.429 131 I N 3.191 123.796 120.570 0.059 0.000 2.433 131 I HA 0.277 4.447 4.170 0.000 0.000 0.292 131 I C -0.318 175.789 176.117 -0.017 0.000 1.001 131 I CA -0.847 60.456 61.300 0.006 0.000 1.119 131 I CB 1.549 39.535 38.000 -0.023 0.000 1.289 131 I HN 0.241 nan 8.210 nan 0.000 0.438 132 V N 4.922 124.739 119.914 -0.163 0.000 2.459 132 V HA 0.876 4.996 4.120 0.000 0.000 0.295 132 V C 0.483 175.979 176.094 -0.998 0.000 1.029 132 V CA -0.361 61.692 62.300 -0.412 0.000 0.874 132 V CB 1.584 33.197 31.823 -0.350 0.000 0.985 132 V HN 0.976 nan 8.190 nan 0.000 0.438 133 G N 2.346 110.691 108.800 -0.758 0.000 3.015 133 G HA2 0.737 4.697 3.960 0.000 0.000 0.281 133 G HA3 0.737 4.697 3.960 0.000 0.000 0.281 133 G C -1.413 173.206 174.900 -0.468 0.000 1.386 133 G CA -0.755 43.953 45.100 -0.655 0.000 0.959 133 G HN 0.407 nan 8.290 nan 0.000 0.522 134 F N 0.293 120.259 119.950 0.028 0.000 2.385 134 F HA 0.450 4.977 4.527 -0.000 0.000 0.336 134 F C 1.591 177.400 175.800 0.015 0.000 1.100 134 F CA -0.443 57.606 58.000 0.082 0.000 1.116 134 F CB 2.227 41.331 39.000 0.174 0.000 1.166 134 F HN 0.516 nan 8.300 nan 0.000 0.511 135 A N 2.023 124.942 122.820 0.166 0.000 2.216 135 A HA -0.128 4.192 4.320 0.000 0.000 0.214 135 A C 1.307 179.007 177.584 0.194 0.000 1.160 135 A CA 1.185 53.258 52.037 0.060 0.000 0.725 135 A CB -0.423 18.596 19.000 0.033 0.000 0.784 135 A HN 0.840 nan 8.150 nan 0.000 0.472 136 Q N -0.147 119.773 119.800 0.200 0.000 2.155 136 Q HA 0.165 4.505 4.340 0.000 0.000 0.220 136 Q C 0.531 176.629 176.000 0.162 0.000 0.819 136 Q CA 0.367 56.252 55.803 0.137 0.000 1.032 136 Q CB 0.727 29.471 28.738 0.010 0.000 1.151 136 Q HN 0.613 nan 8.270 nan 0.000 0.487 137 S N -0.284 115.566 115.700 0.250 0.000 2.589 137 S HA 0.300 4.770 4.470 0.000 0.000 0.265 137 S C -0.550 174.083 174.600 0.055 0.000 1.342 137 S CA -0.540 57.750 58.200 0.151 0.000 1.005 137 S CB 0.874 64.204 63.200 0.217 0.000 0.909 137 S HN 0.452 nan 8.310 nan 0.000 0.555 138 W N 2.218 123.304 121.300 -0.357 0.000 2.835 138 W HA 0.340 5.000 4.660 -0.000 0.000 0.326 138 W C -1.161 175.079 176.519 -0.464 0.000 1.024 138 W CA -0.434 56.737 57.345 -0.289 0.000 1.267 138 W CB 0.851 30.230 29.460 -0.136 0.000 1.267 138 W HN 0.975 nan 8.180 nan 0.000 0.412 139 H N 2.901 121.765 119.070 -0.344 0.000 3.170 139 H HA 0.364 4.920 4.556 -0.000 0.000 0.264 139 H C 1.059 176.267 175.328 -0.200 0.000 1.113 139 H CA 0.899 56.864 56.048 -0.138 0.000 1.194 139 H CB 1.804 31.503 29.762 -0.104 0.000 1.553 139 H HN 0.528 nan 8.280 nan 0.000 0.538 140 G N 0.284 108.787 108.800 -0.496 0.000 2.351 140 G HA2 -0.055 3.905 3.960 0.000 0.000 0.353 140 G HA3 -0.055 3.905 3.960 0.000 0.000 0.353 140 G C 0.145 174.830 174.900 -0.358 0.000 1.358 140 G CA -0.430 44.547 45.100 -0.205 0.000 0.995 140 G HN -0.044 nan 8.290 nan 0.000 0.611 141 M N 0.621 120.147 119.600 -0.122 0.000 2.414 141 M HA 0.161 4.641 4.480 0.000 0.000 0.251 141 M C 1.613 177.865 176.300 -0.081 0.000 1.116 141 M CA 1.107 56.340 55.300 -0.112 0.000 1.056 141 M CB -0.252 32.359 32.600 0.017 0.000 1.388 141 M HN 0.855 nan 8.290 nan 0.000 0.487 142 T N -1.529 112.994 114.554 -0.052 0.000 2.904 142 T HA 0.508 4.858 4.350 0.000 0.000 0.290 142 T C 1.507 176.176 174.700 -0.052 0.000 1.018 142 T CA -0.033 62.049 62.100 -0.029 0.000 1.075 142 T CB 1.688 70.563 68.868 0.012 0.000 0.986 142 T HN 0.355 nan 8.240 nan 0.000 0.523 143 G N 1.828 110.604 108.800 -0.039 0.000 3.026 143 G HA2 -0.331 3.629 3.960 0.000 0.000 0.247 143 G HA3 -0.331 3.629 3.960 0.000 0.000 0.247 143 G C 1.718 176.580 174.900 -0.064 0.000 1.106 143 G CA 1.959 47.030 45.100 -0.048 0.000 0.754 143 G HN 1.382 nan 8.290 nan 0.000 0.899 144 A N 0.433 123.231 122.820 -0.036 0.000 1.877 144 A HA 0.237 4.557 4.320 0.000 0.000 0.216 144 A C 2.923 180.461 177.584 -0.077 0.000 1.186 144 A CA 2.894 54.904 52.037 -0.044 0.000 0.620 144 A CB -0.990 18.006 19.000 -0.007 0.000 0.822 144 A HN 1.444 nan 8.150 nan 0.000 0.443 145 A N -0.228 122.553 122.820 -0.066 0.000 1.940 145 A HA 0.120 4.440 4.320 0.000 0.000 0.219 145 A C 2.468 179.954 177.584 -0.163 0.000 1.176 145 A CA 2.184 54.171 52.037 -0.083 0.000 0.631 145 A CB -0.919 18.052 19.000 -0.047 0.000 0.814 145 A HN 1.069 nan 8.150 nan 0.000 0.446 146 A N -0.830 121.874 122.820 -0.194 0.000 1.930 146 A HA -0.010 4.310 4.320 0.000 0.000 0.217 146 A C 2.379 179.776 177.584 -0.312 0.000 1.175 146 A CA 1.800 53.669 52.037 -0.280 0.000 0.627 146 A CB -0.777 18.090 19.000 -0.220 0.000 0.815 146 A HN 0.431 nan 8.150 nan 0.000 0.443 147 S N -0.298 115.259 115.700 -0.239 0.000 2.419 147 S HA -0.005 4.466 4.470 0.000 0.000 0.233 147 S C 1.821 176.195 174.600 -0.376 0.000 1.016 147 S CA 1.072 59.117 58.200 -0.259 0.000 0.974 147 S CB -0.222 62.888 63.200 -0.151 0.000 0.786 147 S HN 0.770 nan 8.310 nan 0.000 0.492 148 A N 0.586 123.233 122.820 -0.288 0.000 2.308 148 A HA 0.292 4.612 4.320 0.000 0.000 0.217 148 A C 0.650 178.116 177.584 -0.197 0.000 1.216 148 A CA -0.048 51.887 52.037 -0.169 0.000 0.864 148 A CB 0.132 19.100 19.000 -0.054 0.000 0.902 148 A HN 0.282 nan 8.150 nan 0.000 0.499 149 T N -0.168 114.091 114.554 -0.490 0.000 2.749 149 T HA 0.442 4.792 4.350 0.000 0.000 0.287 149 T C -0.148 174.215 174.700 -0.562 0.000 0.970 149 T CA 0.082 61.928 62.100 -0.423 0.000 0.980 149 T CB 0.359 68.884 68.868 -0.572 0.000 0.924 149 T HN 0.342 nan 8.240 nan 0.000 0.456 150 Y N 0.525 120.813 120.300 -0.021 0.000 2.453 150 Y HA 0.128 4.678 4.550 0.000 0.000 0.247 150 Y C 2.487 178.418 175.900 0.052 0.000 1.124 150 Y CA -0.400 57.710 58.100 0.017 0.000 1.243 150 Y CB 0.249 38.734 38.460 0.042 0.000 1.213 150 Y HN 0.676 nan 8.280 nan 0.000 0.523 151 S N -0.069 115.749 115.700 0.198 0.000 2.481 151 S HA 0.471 4.942 4.470 0.000 0.000 0.231 151 S C 0.826 175.538 174.600 0.187 0.000 0.996 151 S CA 0.462 58.780 58.200 0.196 0.000 0.942 151 S CB -0.034 63.305 63.200 0.233 0.000 0.768 151 S HN 0.285 nan 8.310 nan 0.000 0.520 152 A N -1.428 121.485 122.820 0.154 0.000 2.415 152 A HA 0.596 4.916 4.320 0.000 0.000 0.294 152 A C 0.723 178.328 177.584 0.035 0.000 1.019 152 A CA -0.194 51.926 52.037 0.138 0.000 0.603 152 A CB -0.634 18.523 19.000 0.262 0.000 1.382 152 A HN 1.477 nan 8.150 nan 0.000 0.483 153 G N -0.713 108.114 108.800 0.045 0.000 2.189 153 G HA2 -0.293 3.667 3.960 0.000 0.000 0.267 153 G HA3 -0.293 3.667 3.960 0.000 0.000 0.267 153 G C 0.764 175.629 174.900 -0.059 0.000 0.975 153 G CA 1.163 46.255 45.100 -0.014 0.000 0.644 153 G HN 0.976 nan 8.290 nan 0.000 0.537 154 R N -0.430 120.038 120.500 -0.053 0.000 2.275 154 R HA 0.138 4.478 4.340 0.000 0.000 0.199 154 R C 0.695 176.977 176.300 -0.030 0.000 0.989 154 R CA 0.697 56.758 56.100 -0.065 0.000 1.016 154 R CB 0.077 30.345 30.300 -0.054 0.000 0.918 154 R HN 0.278 nan 8.270 nan 0.000 0.473 155 K N -0.544 119.850 120.400 -0.010 0.000 2.098 155 K HA 0.348 4.668 4.320 0.000 0.000 0.258 155 K C 0.645 177.243 176.600 -0.004 0.000 0.973 155 K CA 0.305 56.592 56.287 -0.001 0.000 0.898 155 K CB 1.482 33.988 32.500 0.011 0.000 1.057 155 K HN 0.091 nan 8.250 nan 0.000 0.447 156 G N 0.154 108.952 108.800 -0.003 0.000 2.166 156 G HA2 -0.254 3.706 3.960 0.000 0.000 0.260 156 G HA3 -0.254 3.706 3.960 0.000 0.000 0.260 156 G C 0.317 175.213 174.900 -0.007 0.000 0.986 156 G CA 0.693 45.791 45.100 -0.003 0.000 0.683 156 G HN 0.756 nan 8.290 nan 0.000 0.527 157 V N -3.105 116.801 119.914 -0.014 0.000 2.988 157 V HA 0.719 4.839 4.120 0.000 0.000 0.356 157 V C 1.049 177.128 176.094 -0.025 0.000 1.380 157 V CA 0.483 62.772 62.300 -0.019 0.000 1.184 157 V CB -0.042 31.768 31.823 -0.022 0.000 1.204 157 V HN 2.263 nan 8.190 nan 0.000 0.530 158 G N 1.380 110.166 108.800 -0.023 0.000 2.795 158 G HA2 -0.065 3.895 3.960 0.000 0.000 0.664 158 G HA3 -0.065 3.895 3.960 0.000 0.000 0.664 158 G C -2.259 172.621 174.900 -0.034 0.000 1.381 158 G CA -0.397 44.688 45.100 -0.026 0.000 0.853 158 G HN 0.635 nan 8.290 nan 0.000 0.545 159 P HA 0.530 nan 4.420 nan 0.000 0.269 159 P C 0.539 177.806 177.300 -0.056 0.000 1.215 159 P CA 0.505 63.580 63.100 -0.041 0.000 0.780 159 P CB 0.514 32.191 31.700 -0.039 0.000 0.898 160 A N 1.874 124.655 122.820 -0.065 0.000 2.249 160 A HA 0.595 4.915 4.320 0.000 0.000 0.281 160 A C 0.306 177.842 177.584 -0.081 0.000 1.127 160 A CA -0.130 51.856 52.037 -0.086 0.000 0.833 160 A CB -0.418 18.522 19.000 -0.100 0.000 1.140 160 A HN 0.648 nan 8.150 nan 0.000 0.502 161 A N -0.476 122.292 122.820 -0.086 0.000 2.498 161 A HA 0.450 4.770 4.320 0.000 0.000 0.239 161 A C 0.338 177.876 177.584 -0.076 0.000 1.068 161 A CA -0.201 51.792 52.037 -0.074 0.000 0.766 161 A CB -0.428 18.536 19.000 -0.060 0.000 1.003 161 A HN 1.057 nan 8.150 nan 0.000 0.497 162 V N 2.061 121.931 119.914 -0.074 0.000 2.673 162 V HA 0.390 4.510 4.120 0.000 0.000 0.303 162 V C 1.537 177.645 176.094 0.023 0.000 1.046 162 V CA 1.718 63.980 62.300 -0.064 0.000 1.126 162 V CB 0.366 32.111 31.823 -0.130 0.000 0.934 162 V HN 2.021 nan 8.190 nan 0.000 0.487 163 G N 3.744 112.530 108.800 -0.023 0.000 2.149 163 G HA2 -0.210 3.750 3.960 0.000 0.000 0.235 163 G HA3 -0.210 3.750 3.960 0.000 0.000 0.235 163 G C 0.152 174.848 174.900 -0.340 0.000 1.018 163 G CA 0.065 45.120 45.100 -0.075 0.000 0.728 163 G HN 0.762 nan 8.290 nan 0.000 0.508 164 S N -0.126 115.315 115.700 -0.431 0.000 2.452 164 S HA 0.785 5.255 4.470 0.000 0.000 0.284 164 S C -0.322 173.969 174.600 -0.514 0.000 1.171 164 S CA -0.158 57.869 58.200 -0.290 0.000 1.064 164 S CB 0.720 63.860 63.200 -0.100 0.000 0.967 164 S HN 0.352 nan 8.310 nan 0.000 0.484 165 F N 1.004 120.966 119.950 0.020 0.000 2.588 165 F HA 0.758 5.285 4.527 0.000 0.000 0.314 165 F C 0.238 175.863 175.800 -0.292 0.000 1.069 165 F CA -0.948 56.987 58.000 -0.108 0.000 0.931 165 F CB 1.780 40.690 39.000 -0.151 0.000 1.260 165 F HN 0.597 nan 8.300 nan 0.000 0.465 166 A N 2.102 124.782 122.820 -0.234 0.000 2.469 166 A HA 0.947 5.267 4.320 0.000 0.000 0.299 166 A C -1.214 176.244 177.584 -0.209 0.000 1.098 166 A CA -0.736 50.997 52.037 -0.506 0.000 0.737 166 A CB 1.622 19.978 19.000 -1.074 0.000 1.312 166 A HN 0.803 nan 8.150 nan 0.000 0.414 167 I N -1.737 118.781 120.570 -0.086 0.000 2.934 167 I HA 0.752 4.922 4.170 0.000 0.000 0.306 167 I C -2.978 173.276 176.117 0.227 0.000 1.110 167 I CA -2.975 58.368 61.300 0.072 0.000 1.019 167 I CB 2.410 40.478 38.000 0.115 0.000 1.227 167 I HN 0.252 nan 8.210 nan 0.000 0.434 168 P HA 0.245 nan 4.420 nan 0.000 0.271 168 P C -0.701 176.767 177.300 0.280 0.000 1.216 168 P CA -0.122 63.112 63.100 0.224 0.000 0.776 168 P CB 0.873 32.687 31.700 0.190 0.000 0.881 169 A N 4.892 127.766 122.820 0.090 0.000 2.340 169 A HA 0.538 4.858 4.320 0.000 0.000 0.268 169 A C -2.167 175.312 177.584 -0.175 0.000 1.100 169 A CA -1.546 50.288 52.037 -0.338 0.000 0.803 169 A CB -0.682 17.909 19.000 -0.681 0.000 1.043 169 A HN 0.401 nan 8.150 nan 0.000 0.488 170 P HA 0.200 nan 4.420 nan 0.000 0.275 170 P C -1.221 176.089 177.300 0.016 0.000 1.276 170 P CA 0.229 63.264 63.100 -0.108 0.000 0.782 170 P CB 0.136 31.529 31.700 -0.512 0.000 0.851 171 F N 4.479 124.434 119.950 0.008 0.000 2.434 171 F HA 0.201 4.729 4.527 0.000 0.000 0.367 171 F C 1.409 177.177 175.800 -0.052 0.000 1.093 171 F CA -1.142 56.832 58.000 -0.043 0.000 1.085 171 F CB 0.710 39.678 39.000 -0.054 0.000 1.322 171 F HN 0.232 nan 8.300 nan 0.000 0.452 172 T N 2.345 117.052 114.554 0.255 0.000 2.833 172 T HA -0.239 4.111 4.350 0.000 0.000 0.269 172 T C 1.759 176.406 174.700 -0.088 0.000 1.054 172 T CA 1.438 63.607 62.100 0.115 0.000 1.135 172 T CB -0.758 68.255 68.868 0.242 0.000 0.869 172 T HN 0.557 nan 8.240 nan 0.000 0.466 173 Y N 2.816 122.941 120.300 -0.293 0.000 2.181 173 Y HA 0.153 4.704 4.550 0.000 0.000 0.288 173 Y C 1.291 176.823 175.900 -0.614 0.000 1.146 173 Y CA 0.739 58.591 58.100 -0.413 0.000 1.164 173 Y CB -0.061 38.199 38.460 -0.333 0.000 0.982 173 Y HN 0.148 nan 8.280 nan 0.000 0.515 174 R N 1.310 121.143 120.500 -1.111 0.000 2.664 174 R HA 0.269 4.609 4.340 0.000 0.000 0.281 174 R C -2.705 173.208 176.300 -0.644 0.000 1.383 174 R CA -2.046 53.523 56.100 -0.886 0.000 1.563 174 R CB 0.529 30.309 30.300 -0.867 0.000 1.131 174 R HN 0.107 nan 8.270 nan 0.000 0.599 175 P HA 0.123 nan 4.420 nan 0.000 0.271 175 P C -0.187 176.876 177.300 -0.394 0.000 1.216 175 P CA -0.230 62.375 63.100 -0.825 0.000 0.776 175 P CB 1.073 32.261 31.700 -0.854 0.000 0.881 176 R N 0.679 121.066 120.500 -0.188 0.000 2.539 176 R HA 0.289 4.629 4.340 0.000 0.000 0.342 176 R C -0.571 175.838 176.300 0.182 0.000 0.941 176 R CA -0.122 55.990 56.100 0.019 0.000 1.146 176 R CB 0.456 30.784 30.300 0.047 0.000 1.541 176 R HN 0.355 nan 8.270 nan 0.000 0.525 177 F N 2.510 122.572 119.950 0.187 0.000 2.499 177 F HA 0.272 4.799 4.527 0.000 0.000 0.333 177 F C -0.734 175.177 175.800 0.185 0.000 1.138 177 F CA -0.846 57.243 58.000 0.148 0.000 0.945 177 F CB 1.251 40.346 39.000 0.159 0.000 1.181 177 F HN -0.054 nan 8.300 nan 0.000 0.435 178 E N 4.699 124.776 120.200 -0.205 0.000 2.277 178 E HA 0.699 5.049 4.350 0.000 0.000 0.266 178 E C -1.349 175.152 176.600 -0.165 0.000 0.901 178 E CA -1.177 55.180 56.400 -0.071 0.000 0.782 178 E CB 2.208 31.893 29.700 -0.025 0.000 1.228 178 E HN 0.574 nan 8.360 nan 0.000 0.424 179 R N 2.261 122.735 120.500 -0.044 0.000 2.518 179 R HA 0.273 4.613 4.340 0.000 0.000 0.296 179 R C -1.035 175.252 176.300 -0.023 0.000 1.080 179 R CA -0.653 55.423 56.100 -0.039 0.000 0.922 179 R CB 1.003 31.311 30.300 0.012 0.000 1.184 179 R HN 0.925 nan 8.270 nan 0.000 0.445 180 N N 1.768 120.450 118.700 -0.031 0.000 2.671 180 N HA -0.235 4.505 4.740 0.000 0.000 0.261 180 N C 0.562 176.063 175.510 -0.014 0.000 1.053 180 N CA 0.654 53.691 53.050 -0.022 0.000 0.732 180 N CB -1.176 37.301 38.487 -0.016 0.000 0.887 180 N HN 1.067 nan 8.380 nan 0.000 0.546 181 G N -1.418 107.371 108.800 -0.018 0.000 2.270 181 G HA2 -0.268 3.692 3.960 0.000 0.000 0.268 181 G HA3 -0.268 3.692 3.960 0.000 0.000 0.268 181 G C 0.294 175.203 174.900 0.014 0.000 0.982 181 G CA 1.259 46.354 45.100 -0.008 0.000 0.628 181 G HN 1.531 nan 8.290 nan 0.000 0.544 182 A N -0.634 122.199 122.820 0.022 0.000 2.312 182 A HA 0.632 4.952 4.320 0.000 0.000 0.328 182 A C -0.208 177.445 177.584 0.114 0.000 1.158 182 A CA -0.477 51.594 52.037 0.056 0.000 0.821 182 A CB 0.805 19.819 19.000 0.023 0.000 1.170 182 A HN 1.240 nan 8.150 nan 0.000 0.490 183 Y N 2.349 122.662 120.300 0.021 0.000 2.674 183 Y HA 0.218 4.768 4.550 -0.000 0.000 0.354 183 Y C -0.242 175.694 175.900 0.059 0.000 1.089 183 Y CA -0.736 57.407 58.100 0.070 0.000 1.444 183 Y CB 0.117 38.637 38.460 0.100 0.000 1.187 183 Y HN 0.595 nan 8.280 nan 0.000 0.523 184 D N 6.064 126.393 120.400 -0.117 0.000 2.479 184 D HA 0.001 4.641 4.640 0.000 0.000 0.218 184 D C 0.448 176.508 176.300 -0.399 0.000 1.131 184 D CA -0.363 53.471 54.000 -0.276 0.000 0.916 184 D CB -0.047 40.733 40.800 -0.034 0.000 1.022 184 D HN 0.657 nan 8.370 nan 0.000 0.515 185 Y N 2.000 121.932 120.300 -0.613 0.000 2.509 185 Y HA 0.020 4.570 4.550 0.000 0.000 0.293 185 Y C 1.257 177.111 175.900 -0.076 0.000 1.133 185 Y CA 0.014 57.844 58.100 -0.450 0.000 1.283 185 Y CB -0.226 37.968 38.460 -0.443 0.000 1.001 185 Y HN 0.216 nan 8.280 nan 0.000 0.555 186 L N 0.938 122.107 121.223 -0.090 0.000 2.127 186 L HA 0.180 4.520 4.340 0.000 0.000 0.203 186 L C 2.583 179.433 176.870 -0.033 0.000 1.080 186 L CA 1.237 56.079 54.840 0.003 0.000 0.768 186 L CB -1.570 40.437 42.059 -0.086 0.000 0.924 186 L HN 0.380 nan 8.230 nan 0.000 0.444 187 A N -0.854 121.937 122.820 -0.048 0.000 1.933 187 A HA -0.236 4.084 4.320 0.000 0.000 0.218 187 A C 2.301 179.744 177.584 -0.235 0.000 1.175 187 A CA 1.670 53.714 52.037 0.011 0.000 0.628 187 A CB -0.474 18.651 19.000 0.207 0.000 0.814 187 A HN 0.488 nan 8.150 nan 0.000 0.444 188 E N -0.280 119.616 120.200 -0.506 0.000 2.077 188 E HA -0.166 4.184 4.350 0.000 0.000 0.193 188 E C 1.957 178.399 176.600 -0.264 0.000 0.989 188 E CA 0.989 56.815 56.400 -0.957 0.000 0.800 188 E CB -0.189 29.221 29.700 -0.483 0.000 0.746 188 E HN 0.601 nan 8.360 nan 0.000 0.452 189 L N 0.985 122.205 121.223 -0.005 0.000 2.046 189 L HA -0.214 4.126 4.340 0.000 0.000 0.208 189 L C 1.744 178.687 176.870 0.120 0.000 1.077 189 L CA 1.707 56.629 54.840 0.137 0.000 0.747 189 L CB -0.338 41.768 42.059 0.078 0.000 0.896 189 L HN 0.204 nan 8.230 nan 0.000 0.432 190 D N -1.009 119.417 120.400 0.043 0.000 2.117 190 D HA -0.254 4.386 4.640 0.000 0.000 0.197 190 D C 1.858 178.226 176.300 0.114 0.000 0.987 190 D CA 1.365 55.405 54.000 0.068 0.000 0.829 190 D CB -0.317 40.510 40.800 0.045 0.000 0.961 190 D HN 0.406 nan 8.370 nan 0.000 0.460 191 Y N 1.671 121.929 120.300 -0.069 0.000 2.181 191 Y HA -0.218 4.332 4.550 0.000 0.000 0.288 191 Y C 2.307 178.197 175.900 -0.017 0.000 1.146 191 Y CA 1.919 59.995 58.100 -0.040 0.000 1.164 191 Y CB -0.246 38.128 38.460 -0.143 0.000 0.982 191 Y HN -0.050 nan 8.280 nan 0.000 0.515 192 A N -0.224 122.671 122.820 0.125 0.000 1.883 192 A HA -0.214 4.106 4.320 0.000 0.000 0.217 192 A C 2.100 179.632 177.584 -0.087 0.000 1.186 192 A CA 1.828 53.888 52.037 0.037 0.000 0.624 192 A CB -1.490 17.569 19.000 0.097 0.000 0.822 192 A HN 0.554 nan 8.150 nan 0.000 0.444 193 F N 0.009 119.929 119.950 -0.050 0.000 2.234 193 F HA -0.137 4.390 4.527 -0.000 0.000 0.299 193 F C 2.092 177.819 175.800 -0.121 0.000 1.087 193 F CA 1.706 59.658 58.000 -0.080 0.000 1.340 193 F CB -0.223 38.733 39.000 -0.073 0.000 1.031 193 F HN 0.367 nan 8.300 nan 0.000 0.500 194 D N 0.059 120.468 120.400 0.015 0.000 2.117 194 D HA -0.196 4.444 4.640 0.000 0.000 0.197 194 D C 2.137 178.352 176.300 -0.142 0.000 0.987 194 D CA 0.963 54.924 54.000 -0.065 0.000 0.829 194 D CB -0.168 40.569 40.800 -0.104 0.000 0.961 194 D HN 0.145 nan 8.370 nan 0.000 0.460 195 L N 0.301 121.394 121.223 -0.217 0.000 2.046 195 L HA -0.091 4.249 4.340 0.000 0.000 0.208 195 L C 2.010 178.732 176.870 -0.248 0.000 1.077 195 L CA 1.373 56.077 54.840 -0.225 0.000 0.747 195 L CB -0.671 41.245 42.059 -0.240 0.000 0.896 195 L HN 0.134 nan 8.230 nan 0.000 0.432 196 I N 0.031 120.412 120.570 -0.316 0.000 2.163 196 I HA -0.303 3.867 4.170 0.000 0.000 0.243 196 I C 2.238 178.130 176.117 -0.376 0.000 1.085 196 I CA 1.431 62.437 61.300 -0.489 0.000 1.347 196 I CB -1.458 36.196 38.000 -0.577 0.000 1.044 196 I HN 0.311 nan 8.210 nan 0.000 0.408 197 D N 0.637 120.924 120.400 -0.189 0.000 2.133 197 D HA -0.195 4.445 4.640 0.000 0.000 0.195 197 D C 2.359 178.586 176.300 -0.122 0.000 0.997 197 D CA 1.227 55.160 54.000 -0.111 0.000 0.840 197 D CB -0.197 40.580 40.800 -0.037 0.000 0.947 197 D HN 0.326 nan 8.370 nan 0.000 0.452 198 R N 0.043 120.466 120.500 -0.128 0.000 2.148 198 R HA 0.001 4.341 4.340 0.000 0.000 0.223 198 R C 2.317 178.563 176.300 -0.089 0.000 1.088 198 R CA 0.825 56.869 56.100 -0.093 0.000 0.985 198 R CB -0.007 30.245 30.300 -0.079 0.000 0.880 198 R HN 0.330 nan 8.270 nan 0.000 0.451 199 Q N -0.074 119.633 119.800 -0.155 0.000 2.204 199 Q HA 0.080 4.420 4.340 0.000 0.000 0.198 199 Q C 0.778 176.751 176.000 -0.043 0.000 0.946 199 Q CA 0.215 55.964 55.803 -0.091 0.000 0.859 199 Q CB 0.191 28.863 28.738 -0.109 0.000 0.946 199 Q HN 0.103 nan 8.270 nan 0.000 0.474 200 S N 0.884 116.465 115.700 -0.198 0.000 2.553 200 S HA -0.076 4.394 4.470 0.000 0.000 0.293 200 S C 1.001 175.612 174.600 0.018 0.000 1.296 200 S CA 0.294 58.448 58.200 -0.075 0.000 1.046 200 S CB 0.592 63.697 63.200 -0.157 0.000 0.810 200 S HN 0.402 nan 8.310 nan 0.000 0.505 201 S N 2.702 118.433 115.700 0.051 0.000 2.634 201 S HA 0.374 4.844 4.470 0.000 0.000 0.221 201 S C 1.254 175.853 174.600 -0.001 0.000 0.952 201 S CA 0.317 58.544 58.200 0.046 0.000 0.930 201 S CB -0.376 62.882 63.200 0.097 0.000 0.780 201 S HN 2.112 nan 8.310 nan 0.000 0.498 202 G N 1.712 110.492 108.800 -0.033 0.000 2.132 202 G HA2 -0.200 3.760 3.960 0.000 0.000 0.228 202 G HA3 -0.200 3.760 3.960 0.000 0.000 0.228 202 G C 0.042 174.896 174.900 -0.076 0.000 1.000 202 G CA 0.015 45.090 45.100 -0.040 0.000 0.693 202 G HN 0.543 nan 8.290 nan 0.000 0.515 203 N N 0.180 118.787 118.700 -0.156 0.000 2.497 203 N HA 0.201 4.941 4.740 0.000 0.000 0.284 203 N C 0.438 175.796 175.510 -0.254 0.000 1.459 203 N CA -0.241 52.644 53.050 -0.275 0.000 0.899 203 N CB 0.528 38.624 38.487 -0.651 0.000 1.316 203 N HN 0.375 nan 8.380 nan 0.000 0.500 204 L N 1.131 122.286 121.223 -0.112 0.000 2.500 204 L HA 0.127 4.467 4.340 0.000 0.000 0.272 204 L C 1.435 178.291 176.870 -0.023 0.000 1.149 204 L CA -0.080 54.735 54.840 -0.040 0.000 0.897 204 L CB 0.823 42.891 42.059 0.016 0.000 1.178 204 L HN 0.169 nan 8.230 nan 0.000 0.473 205 A N 3.526 126.340 122.820 -0.011 0.000 1.993 205 A HA 0.683 5.003 4.320 0.000 0.000 0.207 205 A C 0.733 178.336 177.584 0.033 0.000 1.224 205 A CA 0.836 52.879 52.037 0.009 0.000 0.749 205 A CB 0.306 19.317 19.000 0.018 0.000 0.884 205 A HN 0.740 nan 8.150 nan 0.000 0.467 206 A N -1.903 120.946 122.820 0.048 0.000 2.586 206 A HA 0.578 4.898 4.320 0.000 0.000 0.291 206 A C -1.750 175.891 177.584 0.095 0.000 1.062 206 A CA -0.419 51.661 52.037 0.072 0.000 0.666 206 A CB 0.161 19.179 19.000 0.030 0.000 1.281 206 A HN 0.632 nan 8.150 nan 0.000 0.421 207 F N 0.790 120.737 119.950 -0.004 0.000 2.458 207 F HA 0.762 5.289 4.527 -0.000 0.000 0.336 207 F C -0.382 175.377 175.800 -0.069 0.000 1.114 207 F CA -0.662 57.321 58.000 -0.028 0.000 0.987 207 F CB 1.264 40.270 39.000 0.010 0.000 1.130 207 F HN 0.612 nan 8.300 nan 0.000 0.458 208 I N 5.266 125.720 120.570 -0.192 0.000 2.433 208 I HA 0.811 4.981 4.170 0.000 0.000 0.292 208 I C -1.377 174.758 176.117 0.030 0.000 1.001 208 I CA -0.348 60.888 61.300 -0.107 0.000 1.119 208 I CB 1.267 39.062 38.000 -0.341 0.000 1.289 208 I HN 0.740 nan 8.210 nan 0.000 0.438 209 A N 5.784 128.739 122.820 0.225 0.000 2.572 209 A HA 0.651 4.971 4.320 0.000 0.000 0.295 209 A C -1.485 176.366 177.584 0.445 0.000 1.072 209 A CA -0.670 51.625 52.037 0.430 0.000 0.691 209 A CB 1.516 20.815 19.000 0.499 0.000 1.291 209 A HN 0.708 nan 8.150 nan 0.000 0.404 210 E N 1.482 121.982 120.200 0.500 0.000 2.204 210 E HA 0.409 4.759 4.350 0.000 0.000 0.276 210 E C -1.890 174.877 176.600 0.277 0.000 0.974 210 E CA -1.755 54.842 56.400 0.329 0.000 0.815 210 E CB 1.659 31.503 29.700 0.239 0.000 1.119 210 E HN 0.348 nan 8.360 nan 0.000 0.393 211 P HA -0.061 nan 4.420 nan 0.000 0.216 211 P C -0.091 177.257 177.300 0.079 0.000 1.153 211 P CA 1.209 64.397 63.100 0.146 0.000 0.844 211 P CB 0.419 32.190 31.700 0.118 0.000 0.787 212 I N -0.640 119.965 120.570 0.059 0.000 2.447 212 I HA 0.169 4.339 4.170 0.000 0.000 0.287 212 I C -0.675 175.441 176.117 -0.003 0.000 1.023 212 I CA -1.249 60.050 61.300 -0.003 0.000 1.083 212 I CB 1.985 39.978 38.000 -0.012 0.000 1.245 212 I HN -0.313 nan 8.210 nan 0.000 0.434 213 L N 5.474 126.663 121.223 -0.056 0.000 2.407 213 L HA 0.133 4.473 4.340 0.000 0.000 0.282 213 L C 1.337 178.167 176.870 -0.067 0.000 1.110 213 L CA 0.744 55.556 54.840 -0.046 0.000 0.863 213 L CB 0.816 42.808 42.059 -0.111 0.000 1.207 213 L HN 0.654 nan 8.230 nan 0.000 0.454 214 S N 1.361 117.041 115.700 -0.034 0.000 2.317 214 S HA -0.120 4.350 4.470 0.000 0.000 0.212 214 S C 2.016 176.565 174.600 -0.085 0.000 1.030 214 S CA 1.470 59.634 58.200 -0.060 0.000 0.970 214 S CB 0.117 63.286 63.200 -0.051 0.000 0.928 214 S HN 0.716 nan 8.310 nan 0.000 0.451 215 S N 0.720 116.367 115.700 -0.087 0.000 2.402 215 S HA -0.063 4.407 4.470 0.000 0.000 0.233 215 S C 1.897 176.462 174.600 -0.058 0.000 1.030 215 S CA 1.160 59.288 58.200 -0.120 0.000 1.003 215 S CB -0.918 62.199 63.200 -0.139 0.000 0.813 215 S HN 0.710 nan 8.310 nan 0.000 0.477 216 G N 0.179 108.955 108.800 -0.039 0.000 2.470 216 G HA2 0.255 4.215 3.960 0.000 0.000 0.220 216 G HA3 0.255 4.215 3.960 0.000 0.000 0.220 216 G C 0.834 175.636 174.900 -0.162 0.000 1.121 216 G CA 0.736 45.792 45.100 -0.073 0.000 0.766 216 G HN 0.886 nan 8.290 nan 0.000 0.553 217 G N -0.129 108.572 108.800 -0.164 0.000 2.165 217 G HA2 -0.051 3.909 3.960 0.000 0.000 0.144 217 G HA3 -0.051 3.909 3.960 0.000 0.000 0.144 217 G C 0.348 175.132 174.900 -0.193 0.000 1.049 217 G CA -0.339 44.650 45.100 -0.184 0.000 0.741 217 G HN 0.756 nan 8.290 nan 0.000 0.493 218 I N -0.361 120.117 120.570 -0.154 0.000 7.154 218 I HA -0.205 3.965 4.170 0.000 0.000 0.126 218 I C 0.329 176.346 176.117 -0.168 0.000 1.808 218 I CA 0.873 62.099 61.300 -0.123 0.000 2.123 218 I CB -1.858 36.097 38.000 -0.075 0.000 3.552 218 I HN 0.395 nan 8.210 nan 0.000 0.195 219 I N 2.315 122.744 120.570 -0.235 0.000 2.330 219 I HA 0.265 4.435 4.170 0.000 0.000 0.289 219 I C 0.905 176.903 176.117 -0.198 0.000 1.001 219 I CA -0.217 60.909 61.300 -0.290 0.000 1.193 219 I CB 1.592 39.298 38.000 -0.490 0.000 1.345 219 I HN 0.255 nan 8.210 nan 0.000 0.461 220 E N 6.715 126.833 120.200 -0.136 0.000 2.227 220 E HA 0.372 4.722 4.350 0.000 0.000 0.282 220 E C -0.839 175.659 176.600 -0.170 0.000 1.015 220 E CA -0.753 55.581 56.400 -0.110 0.000 0.823 220 E CB 1.123 30.787 29.700 -0.060 0.000 1.081 220 E HN 0.493 nan 8.360 nan 0.000 0.396 221 L N 7.053 128.171 121.223 -0.175 0.000 2.418 221 L HA 0.203 4.543 4.340 0.000 0.000 0.274 221 L C -1.770 174.976 176.870 -0.208 0.000 1.135 221 L CA -1.682 52.993 54.840 -0.275 0.000 0.870 221 L CB -0.037 41.956 42.059 -0.109 0.000 1.154 221 L HN 0.429 nan 8.230 nan 0.000 0.462 222 P HA 0.053 nan 4.420 nan 0.000 0.273 222 P C -0.851 176.392 177.300 -0.095 0.000 1.250 222 P CA -0.583 62.319 63.100 -0.329 0.000 0.793 222 P CB 0.452 31.648 31.700 -0.840 0.000 1.011 223 D N -0.124 120.312 120.400 0.060 0.000 2.583 223 D HA 0.217 4.857 4.640 0.000 0.000 0.232 223 D C 1.665 178.108 176.300 0.239 0.000 1.128 223 D CA 2.050 56.139 54.000 0.148 0.000 0.859 223 D CB -0.469 40.422 40.800 0.152 0.000 1.169 223 D HN 0.718 nan 8.370 nan 0.000 0.481 224 G N 1.905 110.807 108.800 0.170 0.000 2.212 224 G HA2 -0.438 3.522 3.960 0.000 0.000 0.266 224 G HA3 -0.438 3.522 3.960 0.000 0.000 0.266 224 G C 0.948 175.952 174.900 0.172 0.000 0.978 224 G CA 0.666 45.858 45.100 0.152 0.000 0.632 224 G HN 0.570 nan 8.290 nan 0.000 0.537 225 Y N 0.396 120.756 120.300 0.100 0.000 2.133 225 Y HA 0.153 4.703 4.550 -0.000 0.000 0.287 225 Y C 2.960 178.879 175.900 0.032 0.000 1.134 225 Y CA 2.659 60.804 58.100 0.075 0.000 1.133 225 Y CB -0.269 38.182 38.460 -0.015 0.000 0.987 225 Y HN 0.301 nan 8.280 nan 0.000 0.502 226 M N -0.553 119.154 119.600 0.179 0.000 2.149 226 M HA -0.223 4.257 4.480 0.000 0.000 0.261 226 M C 2.264 178.533 176.300 -0.051 0.000 1.064 226 M CA 1.786 57.132 55.300 0.075 0.000 1.102 226 M CB -0.232 32.440 32.600 0.121 0.000 1.369 226 M HN 0.458 nan 8.290 nan 0.000 0.408 227 A N -0.072 122.730 122.820 -0.031 0.000 1.902 227 A HA -0.081 4.239 4.320 0.000 0.000 0.217 227 A C 2.245 179.755 177.584 -0.124 0.000 1.181 227 A CA 1.840 53.842 52.037 -0.058 0.000 0.623 227 A CB -1.048 17.937 19.000 -0.024 0.000 0.818 227 A HN 0.584 nan 8.150 nan 0.000 0.443 228 A N -0.574 122.148 122.820 -0.163 0.000 1.902 228 A HA -0.020 4.300 4.320 0.000 0.000 0.217 228 A C 2.136 179.510 177.584 -0.351 0.000 1.181 228 A CA 1.719 53.614 52.037 -0.237 0.000 0.623 228 A CB -0.603 18.256 19.000 -0.235 0.000 0.818 228 A HN 0.675 nan 8.150 nan 0.000 0.443 229 L N -0.136 120.821 121.223 -0.442 0.000 2.017 229 L HA -0.114 4.226 4.340 0.000 0.000 0.208 229 L C 2.269 178.915 176.870 -0.374 0.000 1.073 229 L CA 2.730 57.276 54.840 -0.490 0.000 0.745 229 L CB -0.572 41.178 42.059 -0.515 0.000 0.894 229 L HN 0.340 nan 8.230 nan 0.000 0.432 230 K N -0.484 119.767 120.400 -0.249 0.000 2.103 230 K HA -0.176 4.144 4.320 0.000 0.000 0.207 230 K C 2.299 178.783 176.600 -0.193 0.000 1.048 230 K CA 1.340 57.520 56.287 -0.178 0.000 0.930 230 K CB -0.286 32.147 32.500 -0.111 0.000 0.716 230 K HN 0.138 nan 8.250 nan 0.000 0.444 231 R N 0.657 121.030 120.500 -0.211 0.000 2.081 231 R HA -0.043 4.297 4.340 0.000 0.000 0.235 231 R C 1.891 178.030 176.300 -0.268 0.000 1.131 231 R CA 1.229 57.208 56.100 -0.201 0.000 0.960 231 R CB -0.174 30.017 30.300 -0.180 0.000 0.856 231 R HN 0.208 nan 8.270 nan 0.000 0.436 232 K N -0.181 119.975 120.400 -0.407 0.000 2.097 232 K HA -0.096 4.224 4.320 0.000 0.000 0.206 232 K C 2.234 178.525 176.600 -0.516 0.000 1.049 232 K CA 1.131 57.036 56.287 -0.638 0.000 0.933 232 K CB -0.365 31.439 32.500 -1.160 0.000 0.717 232 K HN 0.225 nan 8.250 nan 0.000 0.442 233 C N 1.087 120.178 119.300 -0.350 0.000 2.476 233 C HA -0.020 4.440 4.460 0.000 0.000 0.278 233 C C 2.566 177.482 174.990 -0.123 0.000 1.274 233 C CA 0.405 59.326 59.018 -0.161 0.000 1.713 233 C CB -0.574 27.113 27.740 -0.089 0.000 2.039 233 C HN 0.527 nan 8.230 nan 0.000 0.484 234 E N 1.157 121.276 120.200 -0.136 0.000 2.085 234 E HA -0.197 4.153 4.350 0.000 0.000 0.194 234 E C 2.282 178.825 176.600 -0.096 0.000 0.994 234 E CA 1.454 57.794 56.400 -0.099 0.000 0.801 234 E CB -0.272 29.370 29.700 -0.097 0.000 0.743 234 E HN 0.659 nan 8.360 nan 0.000 0.453 235 A N 0.877 123.620 122.820 -0.128 0.000 2.070 235 A HA -0.125 4.195 4.320 0.000 0.000 0.220 235 A C 1.859 179.390 177.584 -0.087 0.000 1.159 235 A CA 1.078 53.048 52.037 -0.111 0.000 0.656 235 A CB -0.153 18.762 19.000 -0.142 0.000 0.800 235 A HN 0.051 nan 8.150 nan 0.000 0.453 236 R N -1.848 118.601 120.500 -0.085 0.000 2.432 236 R HA 0.282 4.622 4.340 0.000 0.000 0.260 236 R C 1.042 177.327 176.300 -0.024 0.000 0.935 236 R CA 0.505 56.579 56.100 -0.043 0.000 1.080 236 R CB 0.276 30.569 30.300 -0.012 0.000 1.155 236 R HN 0.583 nan 8.270 nan 0.000 0.531 237 G N 1.512 110.293 108.800 -0.032 0.000 2.160 237 G HA2 -0.306 3.654 3.960 0.000 0.000 0.251 237 G HA3 -0.306 3.654 3.960 0.000 0.000 0.251 237 G C 0.066 174.961 174.900 -0.009 0.000 1.008 237 G CA 0.213 45.300 45.100 -0.021 0.000 0.724 237 G HN 0.170 nan 8.290 nan 0.000 0.514 238 M N 0.045 119.644 119.600 -0.001 0.000 2.367 238 M HA 0.591 5.071 4.480 0.000 0.000 0.339 238 M C 0.820 177.129 176.300 0.015 0.000 1.177 238 M CA -0.605 54.710 55.300 0.024 0.000 1.068 238 M CB 1.397 34.041 32.600 0.074 0.000 1.602 238 M HN -0.008 nan 8.290 nan 0.000 0.457 239 L N 2.380 123.616 121.223 0.022 0.000 2.399 239 L HA 0.452 4.792 4.340 0.000 0.000 0.266 239 L C -0.630 176.263 176.870 0.038 0.000 1.114 239 L CA -0.929 53.917 54.840 0.010 0.000 0.804 239 L CB 0.982 43.040 42.059 -0.003 0.000 1.146 239 L HN 0.500 nan 8.230 nan 0.000 0.451 240 L N 3.551 124.787 121.223 0.021 0.000 2.265 240 L HA 0.486 4.826 4.340 0.000 0.000 0.289 240 L C -0.496 176.395 176.870 0.034 0.000 1.033 240 L CA 0.112 54.981 54.840 0.047 0.000 0.814 240 L CB 0.924 42.989 42.059 0.009 0.000 1.203 240 L HN 0.312 nan 8.230 nan 0.000 0.423 241 I N 6.212 126.815 120.570 0.055 0.000 2.339 241 I HA 0.311 4.481 4.170 0.000 0.000 0.290 241 I C -0.556 175.588 176.117 0.044 0.000 0.994 241 I CA -0.371 60.936 61.300 0.012 0.000 1.191 241 I CB 1.315 39.294 38.000 -0.035 0.000 1.343 241 I HN 0.414 nan 8.210 nan 0.000 0.458 242 L N 5.815 127.059 121.223 0.035 0.000 2.272 242 L HA 0.328 4.668 4.340 0.000 0.000 0.289 242 L C -0.458 176.456 176.870 0.073 0.000 1.032 242 L CA -0.443 54.444 54.840 0.078 0.000 0.810 242 L CB 1.365 43.464 42.059 0.067 0.000 1.205 242 L HN 0.549 nan 8.230 nan 0.000 0.422 243 D N 4.228 124.710 120.400 0.137 0.000 2.428 243 D HA 0.087 4.727 4.640 0.000 0.000 0.221 243 D C 0.157 176.558 176.300 0.169 0.000 1.123 243 D CA -0.033 54.063 54.000 0.160 0.000 0.869 243 D CB 0.815 41.789 40.800 0.290 0.000 1.032 243 D HN 0.463 nan 8.370 nan 0.000 0.506 244 E N 2.603 122.881 120.200 0.129 0.000 2.499 244 E HA 0.162 4.512 4.350 0.000 0.000 0.207 244 E C 1.251 177.929 176.600 0.130 0.000 1.034 244 E CA -0.358 56.127 56.400 0.141 0.000 1.098 244 E CB 0.747 30.549 29.700 0.170 0.000 1.148 244 E HN 0.554 nan 8.360 nan 0.000 0.447 245 A N 0.941 123.836 122.820 0.126 0.000 1.948 245 A HA -0.265 4.055 4.320 0.000 0.000 0.220 245 A C 2.064 179.696 177.584 0.080 0.000 1.177 245 A CA 1.492 53.593 52.037 0.107 0.000 0.636 245 A CB -0.050 19.027 19.000 0.129 0.000 0.815 245 A HN 0.234 nan 8.150 nan 0.000 0.449 246 Q N -1.942 117.903 119.800 0.075 0.000 2.396 246 Q HA -0.024 4.316 4.340 0.000 0.000 0.220 246 Q C 2.042 178.061 176.000 0.031 0.000 0.900 246 Q CA 1.217 57.043 55.803 0.038 0.000 0.925 246 Q CB 0.174 28.925 28.738 0.022 0.000 1.065 246 Q HN 0.862 nan 8.270 nan 0.000 0.535 247 T N -2.272 112.318 114.554 0.059 0.000 3.067 247 T HA 0.132 4.482 4.350 0.000 0.000 0.257 247 T C 1.038 175.776 174.700 0.064 0.000 1.105 247 T CA 0.322 62.454 62.100 0.054 0.000 1.104 247 T CB 0.054 68.968 68.868 0.077 0.000 0.925 247 T HN 0.116 nan 8.240 nan 0.000 0.498 248 G N 0.797 109.664 108.800 0.112 0.000 2.599 248 G HA2 0.434 4.394 3.960 0.000 0.000 0.264 248 G HA3 0.434 4.394 3.960 0.000 0.000 0.264 248 G C 0.152 175.040 174.900 -0.020 0.000 1.200 248 G CA -0.100 45.092 45.100 0.154 0.000 0.896 248 G HN 0.852 nan 8.290 nan 0.000 0.536 249 V N -0.108 119.681 119.914 -0.208 0.000 5.831 249 V HA -0.199 3.921 4.120 0.000 0.000 0.322 249 V C 1.884 177.853 176.094 -0.208 0.000 0.451 249 V CA 1.507 63.663 62.300 -0.240 0.000 0.687 249 V CB -2.035 29.729 31.823 -0.098 0.000 0.395 249 V HN 2.789 nan 8.190 nan 0.000 1.284 250 G N -0.164 108.485 108.800 -0.251 0.000 2.267 250 G HA2 -0.446 3.514 3.960 0.000 0.000 0.257 250 G HA3 -0.446 3.514 3.960 0.000 0.000 0.257 250 G C 0.851 175.682 174.900 -0.114 0.000 0.998 250 G CA 1.247 46.243 45.100 -0.174 0.000 0.620 250 G HN 0.960 nan 8.290 nan 0.000 0.529 251 R N 0.827 121.270 120.500 -0.096 0.000 2.133 251 R HA -0.159 4.181 4.340 0.000 0.000 0.247 251 R C 2.624 178.885 176.300 -0.065 0.000 1.151 251 R CA 2.796 58.850 56.100 -0.076 0.000 0.971 251 R CB -0.566 29.697 30.300 -0.062 0.000 0.866 251 R HN 0.686 nan 8.270 nan 0.000 0.447 252 T N -4.095 110.427 114.554 -0.053 0.000 3.107 252 T HA 0.310 4.660 4.350 0.000 0.000 0.249 252 T C 1.205 175.882 174.700 -0.039 0.000 1.096 252 T CA 0.317 62.394 62.100 -0.038 0.000 1.012 252 T CB 0.934 69.792 68.868 -0.016 0.000 0.977 252 T HN 0.481 nan 8.240 nan 0.000 0.527 253 G N 1.157 109.924 108.800 -0.054 0.000 2.218 253 G HA2 -0.158 3.802 3.960 0.000 0.000 0.216 253 G HA3 -0.158 3.802 3.960 0.000 0.000 0.216 253 G C 0.239 175.109 174.900 -0.051 0.000 0.994 253 G CA 0.020 45.092 45.100 -0.048 0.000 0.637 253 G HN 1.118 nan 8.290 nan 0.000 0.505 254 T N -2.638 111.881 114.554 -0.058 0.000 2.930 254 T HA 0.644 4.994 4.350 0.000 0.000 0.290 254 T C 1.160 175.771 174.700 -0.147 0.000 1.052 254 T CA 0.137 62.197 62.100 -0.066 0.000 1.017 254 T CB 1.849 70.707 68.868 -0.017 0.000 1.137 254 T HN 0.304 nan 8.240 nan 0.000 0.511 255 M N 0.361 119.833 119.600 -0.212 0.000 2.108 255 M HA 0.264 4.744 4.480 0.000 0.000 0.261 255 M C -0.670 175.114 176.300 -0.860 0.000 1.066 255 M CA 1.265 56.264 55.300 -0.502 0.000 1.107 255 M CB -0.866 31.428 32.600 -0.509 0.000 1.356 255 M HN 0.668 nan 8.290 nan 0.000 0.406 256 F N -2.156 117.793 119.950 -0.000 0.000 2.565 256 F HA 0.538 5.065 4.527 0.000 0.000 0.313 256 F C 0.967 176.773 175.800 0.010 0.000 1.091 256 F CA -0.595 57.408 58.000 0.006 0.000 0.915 256 F CB 0.973 39.978 39.000 0.007 0.000 1.208 256 F HN -0.060 nan 8.300 nan 0.000 0.453 257 A N 0.657 123.597 122.820 0.201 0.000 1.940 257 A HA -0.216 4.104 4.320 0.000 0.000 0.219 257 A C 2.102 179.759 177.584 0.121 0.000 1.176 257 A CA 1.980 54.090 52.037 0.122 0.000 0.631 257 A CB -1.346 17.716 19.000 0.104 0.000 0.814 257 A HN 1.033 nan 8.150 nan 0.000 0.446 258 C N -1.320 118.068 119.300 0.147 0.000 2.422 258 C HA -0.040 4.420 4.460 0.000 0.000 0.286 258 C C 2.360 177.406 174.990 0.094 0.000 1.412 258 C CA 0.865 59.945 59.018 0.104 0.000 1.786 258 C CB -1.761 26.023 27.740 0.074 0.000 1.835 258 C HN 0.644 nan 8.230 nan 0.000 0.533 259 Q N 0.724 120.598 119.800 0.123 0.000 2.172 259 Q HA -0.132 4.208 4.340 0.000 0.000 0.200 259 Q C 2.536 178.574 176.000 0.063 0.000 0.964 259 Q CA 1.430 57.290 55.803 0.096 0.000 0.855 259 Q CB -0.221 28.585 28.738 0.114 0.000 0.918 259 Q HN 0.786 nan 8.270 nan 0.000 0.444 260 R N 0.816 121.351 120.500 0.059 0.000 2.073 260 R HA -0.151 4.189 4.340 0.000 0.000 0.234 260 R C 1.542 177.867 176.300 0.043 0.000 1.134 260 R CA 1.704 57.830 56.100 0.043 0.000 0.952 260 R CB 0.027 30.349 30.300 0.037 0.000 0.850 260 R HN 0.181 nan 8.270 nan 0.000 0.433 261 D N -1.277 119.153 120.400 0.050 0.000 2.224 261 D HA -0.009 4.631 4.640 0.000 0.000 0.205 261 D C 0.852 177.176 176.300 0.039 0.000 0.965 261 D CA 1.453 55.482 54.000 0.048 0.000 0.852 261 D CB 0.351 41.186 40.800 0.059 0.000 0.947 261 D HN 0.586 nan 8.370 nan 0.000 0.494 262 G N 0.579 109.402 108.800 0.039 0.000 2.143 262 G HA2 -0.262 3.698 3.960 0.000 0.000 0.249 262 G HA3 -0.262 3.698 3.960 0.000 0.000 0.249 262 G C 0.268 175.180 174.900 0.020 0.000 0.981 262 G CA 0.351 45.468 45.100 0.029 0.000 0.665 262 G HN 0.259 nan 8.290 nan 0.000 0.528 263 V N 1.495 121.424 119.914 0.024 0.000 2.347 263 V HA 0.686 4.806 4.120 0.000 0.000 0.280 263 V C 0.706 176.805 176.094 0.008 0.000 1.021 263 V CA 0.114 62.420 62.300 0.010 0.000 0.847 263 V CB 1.511 33.340 31.823 0.009 0.000 0.990 263 V HN 0.695 nan 8.190 nan 0.000 0.444 264 T N 5.736 120.286 114.554 -0.007 0.000 2.744 264 T HA 0.553 4.903 4.350 0.000 0.000 0.291 264 T C -1.869 172.815 174.700 -0.027 0.000 0.957 264 T CA -1.664 60.425 62.100 -0.018 0.000 1.002 264 T CB 1.596 70.448 68.868 -0.026 0.000 0.919 264 T HN 0.544 nan 8.240 nan 0.000 0.468 265 P HA 0.324 nan 4.420 nan 0.000 0.275 265 P C 0.173 177.447 177.300 -0.043 0.000 1.266 265 P CA -0.288 62.795 63.100 -0.028 0.000 0.793 265 P CB 0.899 32.588 31.700 -0.019 0.000 1.074 266 D N -0.543 119.834 120.400 -0.039 0.000 2.162 266 D HA 0.082 4.722 4.640 0.000 0.000 0.203 266 D C 0.640 176.901 176.300 -0.065 0.000 0.967 266 D CA 1.364 55.335 54.000 -0.049 0.000 0.840 266 D CB 0.326 41.102 40.800 -0.040 0.000 0.972 266 D HN 0.328 nan 8.370 nan 0.000 0.482 267 I N 1.113 121.645 120.570 -0.062 0.000 2.569 267 I HA 0.208 4.378 4.170 0.000 0.000 0.290 267 I C -1.177 174.894 176.117 -0.077 0.000 1.088 267 I CA -0.972 60.279 61.300 -0.081 0.000 1.047 267 I CB 2.890 40.839 38.000 -0.086 0.000 1.237 267 I HN -0.205 nan 8.210 nan 0.000 0.421 268 L N 6.576 127.737 121.223 -0.104 0.000 2.322 268 L HA 0.671 5.011 4.340 0.000 0.000 0.281 268 L C -0.014 176.799 176.870 -0.096 0.000 1.014 268 L CA 0.206 54.978 54.840 -0.113 0.000 0.815 268 L CB 1.763 43.697 42.059 -0.208 0.000 1.247 268 L HN 0.719 nan 8.230 nan 0.000 0.421 269 T N 3.669 118.192 114.554 -0.051 0.000 2.856 269 T HA 0.799 5.149 4.350 0.000 0.000 0.283 269 T C -0.511 174.196 174.700 0.012 0.000 1.008 269 T CA -0.673 61.411 62.100 -0.028 0.000 0.997 269 T CB 1.033 69.890 68.868 -0.018 0.000 0.992 269 T HN 0.562 nan 8.240 nan 0.000 0.454 270 L N 2.275 123.510 121.223 0.019 0.000 2.376 270 L HA 0.765 5.105 4.340 0.000 0.000 0.258 270 L C 0.593 177.495 176.870 0.052 0.000 1.013 270 L CA -0.915 53.961 54.840 0.060 0.000 0.822 270 L CB 2.445 44.555 42.059 0.084 0.000 1.388 270 L HN 1.024 nan 8.230 nan 0.000 0.413 271 S N -0.869 114.868 115.700 0.062 0.000 6.091 271 S HA 0.080 4.550 4.470 0.000 0.000 0.111 271 S C 1.050 175.675 174.600 0.042 0.000 1.151 271 S CA -0.440 57.791 58.200 0.050 0.000 1.412 271 S CB 0.031 63.266 63.200 0.059 0.000 2.012 271 S HN 0.473 nan 8.310 nan 0.000 0.574 272 K N 1.667 122.094 120.400 0.045 0.000 1.988 272 K HA -0.129 4.191 4.320 0.000 0.000 0.221 272 K C 2.570 179.176 176.600 0.011 0.000 1.053 272 K CA 2.470 58.775 56.287 0.029 0.000 0.959 272 K CB -1.017 31.500 32.500 0.028 0.000 0.728 272 K HN 0.776 nan 8.250 nan 0.000 0.447 273 T N 0.742 115.302 114.554 0.010 0.000 2.759 273 T HA -0.158 4.192 4.350 0.000 0.000 0.269 273 T C 1.960 176.654 174.700 -0.010 0.000 1.042 273 T CA 1.161 63.254 62.100 -0.011 0.000 1.140 273 T CB -0.398 68.463 68.868 -0.012 0.000 0.864 273 T HN 0.087 nan 8.240 nan 0.000 0.455 274 L N 2.247 123.479 121.223 0.014 0.000 2.042 274 L HA 0.172 4.512 4.340 0.000 0.000 0.210 274 L C 2.618 179.484 176.870 -0.005 0.000 1.076 274 L CA 2.189 57.038 54.840 0.014 0.000 0.749 274 L CB -1.162 40.920 42.059 0.038 0.000 0.893 274 L HN 0.459 nan 8.230 nan 0.000 0.432 275 G N -2.250 106.548 108.800 -0.004 0.000 2.813 275 G HA2 0.214 4.174 3.960 0.000 0.000 0.209 275 G HA3 0.214 4.174 3.960 0.000 0.000 0.209 275 G C 0.942 175.831 174.900 -0.019 0.000 1.150 275 G CA 0.412 45.505 45.100 -0.011 0.000 0.785 275 G HN 0.878 nan 8.290 nan 0.000 0.535 276 A N -1.265 121.538 122.820 -0.028 0.000 2.745 276 A HA 0.194 4.514 4.320 0.000 0.000 0.296 276 A C 1.929 179.495 177.584 -0.030 0.000 1.500 276 A CA 1.825 53.836 52.037 -0.043 0.000 0.766 276 A CB -1.507 17.458 19.000 -0.058 0.000 1.030 276 A HN 2.257 nan 8.150 nan 0.000 0.489 277 G N -2.956 105.835 108.800 -0.016 0.000 2.259 277 G HA2 -0.063 3.897 3.960 0.000 0.000 0.217 277 G HA3 -0.063 3.897 3.960 0.000 0.000 0.217 277 G C 0.183 175.092 174.900 0.015 0.000 1.001 277 G CA 0.332 45.435 45.100 0.005 0.000 0.627 277 G HN 1.699 nan 8.290 nan 0.000 0.501 278 L N 2.449 123.676 121.223 0.006 0.000 2.421 278 L HA 0.624 4.965 4.340 0.000 0.000 0.263 278 L C -1.856 175.011 176.870 -0.005 0.000 1.122 278 L CA -1.541 53.299 54.840 0.001 0.000 0.804 278 L CB 0.862 42.918 42.059 -0.004 0.000 1.150 278 L HN -0.012 nan 8.230 nan 0.000 0.457 279 P HA 0.319 nan 4.420 nan 0.000 0.274 279 P C -1.101 176.190 177.300 -0.014 0.000 1.470 279 P CA -0.244 62.847 63.100 -0.016 0.000 1.001 279 P CB 0.742 32.420 31.700 -0.037 0.000 1.332 280 L N 2.703 123.926 121.223 0.001 0.000 2.445 280 L HA 0.876 5.216 4.340 0.000 0.000 0.262 280 L C -1.586 175.294 176.870 0.017 0.000 0.974 280 L CA -0.730 54.113 54.840 0.005 0.000 0.822 280 L CB 2.207 44.263 42.059 -0.005 0.000 1.339 280 L HN 0.385 nan 8.230 nan 0.000 0.409 281 A N 2.991 125.824 122.820 0.021 0.000 2.593 281 A HA 1.083 5.403 4.320 0.000 0.000 0.290 281 A C -1.498 176.092 177.584 0.010 0.000 1.126 281 A CA -0.092 51.958 52.037 0.022 0.000 0.695 281 A CB 1.576 20.593 19.000 0.030 0.000 1.290 281 A HN 1.909 nan 8.150 nan 0.000 0.414 282 A N -0.367 122.453 122.820 -0.001 0.000 2.601 282 A HA 0.752 5.072 4.320 0.000 0.000 0.291 282 A C -1.117 176.440 177.584 -0.045 0.000 1.075 282 A CA 0.152 52.176 52.037 -0.022 0.000 0.671 282 A CB 0.672 19.663 19.000 -0.015 0.000 1.277 282 A HN 2.244 nan 8.150 nan 0.000 0.417 283 I N -1.208 119.321 120.570 -0.068 0.000 2.608 283 I HA 0.900 5.070 4.170 0.000 0.000 0.295 283 I C -1.398 174.662 176.117 -0.095 0.000 1.049 283 I CA -1.098 60.147 61.300 -0.092 0.000 1.063 283 I CB 2.192 40.120 38.000 -0.120 0.000 1.248 283 I HN 0.339 nan 8.210 nan 0.000 0.424 284 V N 4.139 123.985 119.914 -0.113 0.000 2.588 284 V HA 0.669 4.790 4.120 0.000 0.000 0.304 284 V C -0.057 175.966 176.094 -0.119 0.000 1.042 284 V CA -0.255 61.976 62.300 -0.116 0.000 0.877 284 V CB 1.659 33.396 31.823 -0.143 0.000 0.996 284 V HN 0.976 nan 8.190 nan 0.000 0.425 285 T N 1.695 116.184 114.554 -0.108 0.000 2.804 285 T HA 0.584 4.934 4.350 0.000 0.000 0.290 285 T C -0.073 174.575 174.700 -0.087 0.000 1.099 285 T CA 0.067 62.105 62.100 -0.104 0.000 1.011 285 T CB 1.964 70.759 68.868 -0.122 0.000 1.291 285 T HN 1.011 nan 8.240 nan 0.000 0.523 286 S N 0.845 116.499 115.700 -0.077 0.000 2.617 286 S HA 0.572 5.042 4.470 0.000 0.000 0.269 286 S C 1.689 176.254 174.600 -0.058 0.000 1.292 286 S CA -0.068 58.095 58.200 -0.062 0.000 1.010 286 S CB 0.892 64.061 63.200 -0.053 0.000 0.944 286 S HN 0.988 nan 8.310 nan 0.000 0.536 287 A N 2.423 125.215 122.820 -0.047 0.000 1.917 287 A HA 0.051 4.371 4.320 0.000 0.000 0.219 287 A C 2.396 179.958 177.584 -0.036 0.000 1.182 287 A CA 2.036 54.048 52.037 -0.041 0.000 0.633 287 A CB -1.702 17.278 19.000 -0.033 0.000 0.819 287 A HN 1.392 nan 8.150 nan 0.000 0.448 288 A N -0.251 122.549 122.820 -0.033 0.000 1.877 288 A HA -0.093 4.227 4.320 0.000 0.000 0.216 288 A C 2.150 179.716 177.584 -0.029 0.000 1.186 288 A CA 1.602 53.623 52.037 -0.026 0.000 0.620 288 A CB -0.587 18.398 19.000 -0.024 0.000 0.822 288 A HN 0.494 nan 8.150 nan 0.000 0.443 289 I N -0.728 119.815 120.570 -0.045 0.000 2.252 289 I HA -0.205 3.965 4.170 0.000 0.000 0.245 289 I C 2.648 178.722 176.117 -0.071 0.000 1.102 289 I CA 1.474 62.738 61.300 -0.059 0.000 1.385 289 I CB -0.214 37.740 38.000 -0.076 0.000 1.064 289 I HN 0.404 nan 8.210 nan 0.000 0.414 290 E N 0.979 121.134 120.200 -0.076 0.000 2.077 290 E HA -0.237 4.113 4.350 0.000 0.000 0.193 290 E C 1.964 178.559 176.600 -0.009 0.000 0.989 290 E CA 1.303 57.658 56.400 -0.075 0.000 0.800 290 E CB 0.035 29.690 29.700 -0.075 0.000 0.746 290 E HN 0.421 nan 8.360 nan 0.000 0.452 291 E N 0.388 120.587 120.200 -0.001 0.000 2.058 291 E HA -0.221 4.129 4.350 0.000 0.000 0.194 291 E C 2.261 178.906 176.600 0.074 0.000 0.997 291 E CA 1.073 57.498 56.400 0.043 0.000 0.801 291 E CB -0.346 29.367 29.700 0.021 0.000 0.746 291 E HN 0.146 nan 8.360 nan 0.000 0.450 292 R N 0.881 121.400 120.500 0.031 0.000 2.081 292 R HA -0.084 4.256 4.340 0.000 0.000 0.235 292 R C 2.233 178.558 176.300 0.041 0.000 1.131 292 R CA 1.544 57.661 56.100 0.029 0.000 0.960 292 R CB -0.398 29.908 30.300 0.009 0.000 0.856 292 R HN 0.142 nan 8.270 nan 0.000 0.436 293 A N -0.304 122.530 122.820 0.023 0.000 1.908 293 A HA -0.251 4.069 4.320 0.000 0.000 0.218 293 A C 2.044 179.709 177.584 0.135 0.000 1.181 293 A CA 1.982 54.041 52.037 0.036 0.000 0.627 293 A CB -0.965 17.952 19.000 -0.138 0.000 0.818 293 A HN 0.642 nan 8.150 nan 0.000 0.445 294 H N -0.353 118.745 119.070 0.046 0.000 2.293 294 H HA -0.096 4.460 4.556 0.000 0.000 0.300 294 H C 1.998 177.362 175.328 0.060 0.000 1.082 294 H CA 2.074 58.165 56.048 0.071 0.000 1.308 294 H CB -0.261 29.528 29.762 0.046 0.000 1.375 294 H HN 0.587 nan 8.280 nan 0.000 0.495 295 E N -0.691 119.519 120.200 0.016 0.000 2.114 295 E HA -0.175 4.175 4.350 0.000 0.000 0.199 295 E C 1.331 177.896 176.600 -0.059 0.000 1.008 295 E CA 1.141 57.520 56.400 -0.035 0.000 0.810 295 E CB -0.020 29.693 29.700 0.022 0.000 0.739 295 E HN 0.291 nan 8.360 nan 0.000 0.456 296 L N -0.671 120.545 121.223 -0.012 0.000 2.591 296 L HA 0.125 4.465 4.340 0.000 0.000 0.228 296 L C 1.200 178.077 176.870 0.012 0.000 1.133 296 L CA 1.177 56.023 54.840 0.010 0.000 0.880 296 L CB -0.089 41.996 42.059 0.043 0.000 1.033 296 L HN 0.247 nan 8.230 nan 0.000 0.450 297 G N -1.247 107.539 108.800 -0.023 0.000 2.171 297 G HA2 -0.362 3.598 3.960 0.000 0.000 0.238 297 G HA3 -0.362 3.598 3.960 0.000 0.000 0.238 297 G C 0.178 175.124 174.900 0.077 0.000 1.039 297 G CA 0.024 45.114 45.100 -0.016 0.000 0.759 297 G HN 0.285 nan 8.290 nan 0.000 0.501 298 Y N -0.029 120.283 120.300 0.021 0.000 2.811 298 Y HA 0.412 4.962 4.550 -0.000 0.000 0.334 298 Y C 0.471 176.430 175.900 0.097 0.000 1.247 298 Y CA 0.256 58.399 58.100 0.072 0.000 1.526 298 Y CB 0.400 38.917 38.460 0.095 0.000 1.284 298 Y HN 0.326 nan 8.280 nan 0.000 0.586 299 L N 8.210 129.126 121.223 -0.512 0.000 2.409 299 L HA 0.403 4.743 4.340 0.000 0.000 0.272 299 L C -1.733 174.832 176.870 -0.507 0.000 0.980 299 L CA -0.764 53.856 54.840 -0.366 0.000 0.826 299 L CB 1.284 43.218 42.059 -0.209 0.000 1.268 299 L HN 0.846 nan 8.230 nan 0.000 0.407 300 F N 4.862 124.585 119.950 -0.378 0.000 2.883 300 F HA 0.218 4.745 4.527 -0.000 0.000 0.383 300 F C -1.361 174.417 175.800 -0.036 0.000 1.342 300 F CA -0.350 57.518 58.000 -0.220 0.000 1.150 300 F CB 0.542 39.420 39.000 -0.203 0.000 2.189 300 F HN 0.333 nan 8.300 nan 0.000 0.593 301 Y N 2.797 122.977 120.300 -0.199 0.000 2.404 301 Y HA 0.519 5.069 4.550 0.000 0.000 0.344 301 Y C 0.429 176.226 175.900 -0.172 0.000 0.970 301 Y CA -0.076 57.941 58.100 -0.138 0.000 1.180 301 Y CB 0.700 39.072 38.460 -0.145 0.000 1.138 301 Y HN 0.424 nan 8.280 nan 0.000 0.510 302 T N -0.445 113.952 114.554 -0.263 0.000 2.773 302 T HA 0.292 4.642 4.350 0.000 0.000 0.278 302 T C 0.855 175.400 174.700 -0.258 0.000 1.011 302 T CA -0.341 61.655 62.100 -0.174 0.000 1.014 302 T CB 1.431 70.261 68.868 -0.062 0.000 1.293 302 T HN 0.398 nan 8.240 nan 0.000 0.554 303 T N 0.385 114.819 114.554 -0.200 0.000 2.737 303 T HA -0.047 4.303 4.350 0.000 0.000 0.265 303 T C 1.236 175.716 174.700 -0.367 0.000 1.038 303 T CA 1.258 63.169 62.100 -0.315 0.000 1.144 303 T CB -0.433 68.138 68.868 -0.495 0.000 0.866 303 T HN 0.679 nan 8.240 nan 0.000 0.434 304 H N -0.226 118.863 119.070 0.031 0.000 2.586 304 H HA 0.388 4.944 4.556 -0.000 0.000 0.273 304 H C 0.632 175.956 175.328 -0.007 0.000 0.997 304 H CA -0.324 55.758 56.048 0.057 0.000 1.177 304 H CB -0.316 29.484 29.762 0.063 0.000 1.471 304 H HN 0.154 nan 8.280 nan 0.000 0.538 305 V N 2.013 121.921 119.914 -0.009 0.000 2.617 305 V HA -0.085 4.035 4.120 0.000 0.000 0.304 305 V C 0.387 176.436 176.094 -0.077 0.000 1.040 305 V CA 0.743 63.022 62.300 -0.034 0.000 1.149 305 V CB 0.348 32.117 31.823 -0.089 0.000 0.914 305 V HN 0.669 nan 8.190 nan 0.000 0.487 306 S N 3.155 118.833 115.700 -0.037 0.000 3.635 306 S HA -0.158 4.312 4.470 0.000 0.000 0.328 306 S C -0.150 174.422 174.600 -0.047 0.000 1.135 306 S CA 0.933 59.103 58.200 -0.050 0.000 0.942 306 S CB -1.359 61.792 63.200 -0.081 0.000 0.930 306 S HN 0.977 nan 8.310 nan 0.000 0.512 307 D N 1.342 121.741 120.400 -0.002 0.000 2.308 307 D HA 0.316 4.956 4.640 0.000 0.000 0.251 307 D C -0.816 175.489 176.300 0.008 0.000 1.127 307 D CA -1.874 52.140 54.000 0.022 0.000 0.876 307 D CB 0.981 41.875 40.800 0.156 0.000 1.176 307 D HN 0.102 nan 8.370 nan 0.000 0.446 308 P HA -0.160 nan 4.420 nan 0.000 0.216 308 P C 1.625 178.869 177.300 -0.094 0.000 1.153 308 P CA 0.379 63.466 63.100 -0.021 0.000 0.848 308 P CB 0.351 32.084 31.700 0.055 0.000 0.787 309 L N 1.164 122.380 121.223 -0.012 0.000 1.971 309 L HA -0.070 4.270 4.340 0.000 0.000 0.215 309 L C -0.810 176.007 176.870 -0.087 0.000 1.072 309 L CA 2.851 57.670 54.840 -0.036 0.000 0.758 309 L CB -2.617 39.480 42.059 0.063 0.000 0.889 309 L HN -0.011 nan 8.230 nan 0.000 0.433 310 P HA -0.108 nan 4.420 nan 0.000 0.216 310 P C 1.632 178.888 177.300 -0.073 0.000 1.153 310 P CA 2.136 65.208 63.100 -0.046 0.000 0.848 310 P CB -0.279 31.408 31.700 -0.022 0.000 0.787 311 A N 0.294 123.063 122.820 -0.084 0.000 1.902 311 A HA -0.131 4.189 4.320 0.000 0.000 0.217 311 A C 2.369 179.858 177.584 -0.160 0.000 1.181 311 A CA 2.254 54.233 52.037 -0.096 0.000 0.623 311 A CB -1.648 17.302 19.000 -0.082 0.000 0.818 311 A HN 0.197 nan 8.150 nan 0.000 0.443 312 A N -0.573 122.073 122.820 -0.290 0.000 1.972 312 A HA 0.010 4.330 4.320 0.000 0.000 0.219 312 A C 2.194 179.633 177.584 -0.241 0.000 1.169 312 A CA 1.794 53.563 52.037 -0.446 0.000 0.635 312 A CB -0.817 17.506 19.000 -1.129 0.000 0.810 312 A HN 0.412 nan 8.150 nan 0.000 0.446 313 V N -0.193 119.624 119.914 -0.160 0.000 2.358 313 V HA -0.149 3.971 4.120 0.000 0.000 0.246 313 V C 2.825 178.880 176.094 -0.064 0.000 1.047 313 V CA 1.843 64.094 62.300 -0.080 0.000 1.035 313 V CB -1.531 30.264 31.823 -0.047 0.000 0.658 313 V HN 0.582 nan 8.190 nan 0.000 0.452 314 G N 0.011 108.773 108.800 -0.063 0.000 2.440 314 G HA2 -0.257 3.703 3.960 0.000 0.000 0.218 314 G HA3 -0.257 3.703 3.960 0.000 0.000 0.218 314 G C 1.579 176.455 174.900 -0.041 0.000 1.154 314 G CA 1.167 46.241 45.100 -0.042 0.000 0.767 314 G HN 0.409 nan 8.290 nan 0.000 0.552 315 L N 0.770 121.960 121.223 -0.054 0.000 2.012 315 L HA 0.014 4.354 4.340 0.000 0.000 0.210 315 L C 2.751 179.602 176.870 -0.032 0.000 1.073 315 L CA 2.309 57.124 54.840 -0.041 0.000 0.748 315 L CB -0.647 41.379 42.059 -0.055 0.000 0.891 315 L HN 0.245 nan 8.230 nan 0.000 0.431 316 R N -1.011 119.468 120.500 -0.035 0.000 2.096 316 R HA -0.104 4.236 4.340 0.000 0.000 0.235 316 R C 2.025 178.297 176.300 -0.045 0.000 1.127 316 R CA 1.781 57.868 56.100 -0.022 0.000 0.968 316 R CB -0.808 29.491 30.300 -0.001 0.000 0.861 316 R HN 0.316 nan 8.270 nan 0.000 0.440 317 V N 0.798 120.677 119.914 -0.059 0.000 2.287 317 V HA -0.259 3.861 4.120 0.000 0.000 0.248 317 V C 2.299 178.346 176.094 -0.078 0.000 1.053 317 V CA 2.027 64.275 62.300 -0.087 0.000 1.027 317 V CB -0.466 31.312 31.823 -0.074 0.000 0.646 317 V HN 0.327 nan 8.190 nan 0.000 0.447 318 L N -0.400 120.793 121.223 -0.051 0.000 2.083 318 L HA -0.186 4.154 4.340 0.000 0.000 0.209 318 L C 2.389 179.235 176.870 -0.040 0.000 1.083 318 L CA 1.513 56.327 54.840 -0.043 0.000 0.752 318 L CB -0.804 41.246 42.059 -0.016 0.000 0.899 318 L HN 0.330 nan 8.230 nan 0.000 0.433 319 D N -0.155 120.227 120.400 -0.030 0.000 2.106 319 D HA -0.199 4.441 4.640 0.000 0.000 0.191 319 D C 2.189 178.474 176.300 -0.025 0.000 0.997 319 D CA 1.846 55.834 54.000 -0.019 0.000 0.834 319 D CB -0.255 40.541 40.800 -0.006 0.000 0.956 319 D HN 0.274 nan 8.370 nan 0.000 0.448 320 V N -0.592 119.295 119.914 -0.045 0.000 2.719 320 V HA -0.088 4.032 4.120 0.000 0.000 0.252 320 V C 2.128 178.186 176.094 -0.059 0.000 1.065 320 V CA 0.941 63.212 62.300 -0.047 0.000 1.086 320 V CB -0.223 31.550 31.823 -0.083 0.000 0.700 320 V HN 0.025 nan 8.190 nan 0.000 0.467 321 V N 0.837 120.704 119.914 -0.078 0.000 2.343 321 V HA -0.282 3.838 4.120 0.000 0.000 0.247 321 V C 2.757 178.815 176.094 -0.060 0.000 1.051 321 V CA 2.745 64.998 62.300 -0.080 0.000 1.036 321 V CB -0.788 30.976 31.823 -0.098 0.000 0.654 321 V HN 0.630 nan 8.190 nan 0.000 0.451 322 Q N -0.238 119.532 119.800 -0.050 0.000 2.020 322 Q HA -0.197 4.143 4.340 0.000 0.000 0.198 322 Q C 2.442 178.428 176.000 -0.023 0.000 0.974 322 Q CA 1.731 57.512 55.803 -0.037 0.000 0.829 322 Q CB -0.334 28.387 28.738 -0.028 0.000 0.894 322 Q HN 0.637 nan 8.270 nan 0.000 0.433 323 R N 0.921 121.412 120.500 -0.015 0.000 2.096 323 R HA -0.150 4.190 4.340 0.000 0.000 0.235 323 R C 0.475 176.775 176.300 -0.000 0.000 1.127 323 R CA 1.861 57.959 56.100 -0.003 0.000 0.968 323 R CB 0.030 30.333 30.300 0.006 0.000 0.861 323 R HN 0.116 nan 8.270 nan 0.000 0.440 324 D N -0.141 120.257 120.400 -0.003 0.000 2.325 324 D HA 0.145 4.785 4.640 0.000 0.000 0.225 324 D C 0.361 176.657 176.300 -0.007 0.000 1.096 324 D CA 0.837 54.840 54.000 0.004 0.000 0.844 324 D CB 0.578 41.390 40.800 0.019 0.000 0.925 324 D HN 0.505 nan 8.370 nan 0.000 0.513 325 G N 1.566 110.356 108.800 -0.017 0.000 2.395 325 G HA2 -0.309 3.651 3.960 0.000 0.000 0.300 325 G HA3 -0.309 3.651 3.960 0.000 0.000 0.300 325 G C 1.016 175.899 174.900 -0.029 0.000 0.998 325 G CA 0.229 45.316 45.100 -0.023 0.000 1.046 325 G HN 0.423 nan 8.290 nan 0.000 0.513 326 L N -0.913 120.286 121.223 -0.040 0.000 2.291 326 L HA -0.071 4.269 4.340 0.000 0.000 0.214 326 L C 2.813 179.648 176.870 -0.058 0.000 1.120 326 L CA 0.836 55.648 54.840 -0.046 0.000 0.799 326 L CB -0.415 41.610 42.059 -0.057 0.000 0.925 326 L HN 0.354 nan 8.230 nan 0.000 0.446 327 V N 0.267 120.140 119.914 -0.067 0.000 2.307 327 V HA -0.255 3.865 4.120 0.000 0.000 0.245 327 V C 2.796 178.857 176.094 -0.055 0.000 1.045 327 V CA 1.847 64.102 62.300 -0.075 0.000 1.024 327 V CB -0.876 30.893 31.823 -0.090 0.000 0.651 327 V HN 0.469 nan 8.190 nan 0.000 0.449 328 A N 0.204 122.999 122.820 -0.042 0.000 1.902 328 A HA -0.251 4.069 4.320 0.000 0.000 0.217 328 A C 2.354 179.921 177.584 -0.028 0.000 1.181 328 A CA 2.047 54.066 52.037 -0.030 0.000 0.623 328 A CB -0.585 18.401 19.000 -0.022 0.000 0.818 328 A HN 0.479 nan 8.150 nan 0.000 0.443 329 R N -0.130 120.353 120.500 -0.028 0.000 2.113 329 R HA -0.194 4.146 4.340 0.000 0.000 0.244 329 R C 2.212 178.493 176.300 -0.033 0.000 1.142 329 R CA 1.929 58.014 56.100 -0.025 0.000 0.953 329 R CB -0.557 29.730 30.300 -0.023 0.000 0.860 329 R HN 0.441 nan 8.270 nan 0.000 0.438 330 A N 0.659 123.452 122.820 -0.045 0.000 1.986 330 A HA -0.205 4.115 4.320 0.000 0.000 0.220 330 A C 1.778 179.334 177.584 -0.046 0.000 1.171 330 A CA 1.853 53.858 52.037 -0.054 0.000 0.640 330 A CB -0.593 18.369 19.000 -0.064 0.000 0.811 330 A HN 0.472 nan 8.150 nan 0.000 0.451 331 N N -0.283 118.395 118.700 -0.037 0.000 2.250 331 N HA -0.063 4.677 4.740 0.000 0.000 0.181 331 N C 1.702 177.198 175.510 -0.023 0.000 1.017 331 N CA 1.467 54.500 53.050 -0.029 0.000 0.866 331 N CB -0.177 38.296 38.487 -0.023 0.000 0.985 331 N HN 0.298 nan 8.380 nan 0.000 0.429 332 V N 1.652 121.554 119.914 -0.021 0.000 2.407 332 V HA -0.082 4.038 4.120 0.000 0.000 0.245 332 V C 2.335 178.420 176.094 -0.014 0.000 1.041 332 V CA 1.036 63.328 62.300 -0.014 0.000 1.040 332 V CB -0.236 31.582 31.823 -0.009 0.000 0.671 332 V HN 0.223 nan 8.190 nan 0.000 0.455 333 M N 0.307 119.894 119.600 -0.021 0.000 2.254 333 M HA 0.007 4.487 4.480 0.000 0.000 0.265 333 M C 2.289 178.567 176.300 -0.035 0.000 1.066 333 M CA 1.737 57.023 55.300 -0.023 0.000 1.123 333 M CB -1.635 30.947 32.600 -0.031 0.000 1.388 333 M HN 0.426 nan 8.290 nan 0.000 0.425 334 G N 0.213 108.987 108.800 -0.043 0.000 2.402 334 G HA2 -0.258 3.702 3.960 0.000 0.000 0.216 334 G HA3 -0.258 3.702 3.960 0.000 0.000 0.216 334 G C 1.215 176.096 174.900 -0.032 0.000 1.162 334 G CA 1.305 46.375 45.100 -0.050 0.000 0.777 334 G HN 0.484 nan 8.290 nan 0.000 0.539 335 D N -0.184 120.203 120.400 -0.021 0.000 2.117 335 D HA -0.092 4.548 4.640 0.000 0.000 0.198 335 D C 2.377 178.674 176.300 -0.006 0.000 0.982 335 D CA 0.905 54.898 54.000 -0.012 0.000 0.828 335 D CB -0.125 40.670 40.800 -0.008 0.000 0.967 335 D HN 0.262 nan 8.370 nan 0.000 0.464 336 R N -0.039 120.459 120.500 -0.004 0.000 2.070 336 R HA -0.089 4.251 4.340 0.000 0.000 0.233 336 R C 2.450 178.756 176.300 0.010 0.000 1.137 336 R CA 0.961 57.065 56.100 0.006 0.000 0.945 336 R CB -0.511 29.795 30.300 0.010 0.000 0.845 336 R HN 0.299 nan 8.270 nan 0.000 0.430 337 L N 0.852 122.076 121.223 0.000 0.000 2.046 337 L HA -0.210 4.130 4.340 0.000 0.000 0.208 337 L C 2.723 179.596 176.870 0.004 0.000 1.077 337 L CA 1.625 56.469 54.840 0.005 0.000 0.747 337 L CB -0.455 41.575 42.059 -0.047 0.000 0.896 337 L HN 0.318 nan 8.230 nan 0.000 0.432 338 R N -0.051 120.442 120.500 -0.010 0.000 2.083 338 R HA -0.208 4.133 4.340 0.000 0.000 0.237 338 R C 2.371 178.674 176.300 0.005 0.000 1.137 338 R CA 1.654 57.750 56.100 -0.006 0.000 0.951 338 R CB -0.151 30.142 30.300 -0.012 0.000 0.851 338 R HN 0.368 nan 8.270 nan 0.000 0.434 339 R N -0.701 119.802 120.500 0.006 0.000 2.081 339 R HA -0.083 4.257 4.340 0.000 0.000 0.235 339 R C 2.390 178.698 176.300 0.014 0.000 1.131 339 R CA 1.311 57.416 56.100 0.009 0.000 0.960 339 R CB -0.524 29.780 30.300 0.007 0.000 0.856 339 R HN 0.401 nan 8.270 nan 0.000 0.436 340 G N 1.344 110.156 108.800 0.021 0.000 2.421 340 G HA2 -0.231 3.729 3.960 0.000 0.000 0.216 340 G HA3 -0.231 3.729 3.960 0.000 0.000 0.216 340 G C 1.448 176.370 174.900 0.036 0.000 1.171 340 G CA 0.514 45.631 45.100 0.029 0.000 0.775 340 G HN 0.132 nan 8.290 nan 0.000 0.543 341 L N -0.136 121.109 121.223 0.038 0.000 2.083 341 L HA -0.033 4.307 4.340 0.000 0.000 0.209 341 L C 2.843 179.737 176.870 0.040 0.000 1.083 341 L CA 0.521 55.388 54.840 0.044 0.000 0.752 341 L CB -0.376 41.704 42.059 0.035 0.000 0.899 341 L HN 0.181 nan 8.230 nan 0.000 0.433 342 L N -0.788 120.450 121.223 0.024 0.000 2.093 342 L HA -0.180 4.160 4.340 0.000 0.000 0.208 342 L C 2.185 179.063 176.870 0.013 0.000 1.085 342 L CA 0.924 55.775 54.840 0.018 0.000 0.755 342 L CB -0.576 41.489 42.059 0.011 0.000 0.904 342 L HN 0.232 nan 8.230 nan 0.000 0.435 343 D N 0.155 120.561 120.400 0.009 0.000 2.144 343 D HA -0.139 4.501 4.640 0.000 0.000 0.199 343 D C 2.405 178.692 176.300 -0.021 0.000 0.984 343 D CA 1.132 55.126 54.000 -0.010 0.000 0.834 343 D CB -0.047 40.746 40.800 -0.011 0.000 0.955 343 D HN 0.288 nan 8.370 nan 0.000 0.465 344 L N 0.489 121.725 121.223 0.022 0.000 2.083 344 L HA -0.116 4.224 4.340 0.000 0.000 0.209 344 L C 2.538 179.461 176.870 0.088 0.000 1.083 344 L CA 0.788 55.670 54.840 0.071 0.000 0.752 344 L CB -0.325 41.842 42.059 0.180 0.000 0.899 344 L HN 0.062 nan 8.230 nan 0.000 0.433 345 M N -0.556 119.091 119.600 0.078 0.000 2.460 345 M HA -0.175 4.305 4.480 0.000 0.000 0.263 345 M C 1.813 178.131 176.300 0.029 0.000 1.071 345 M CA 1.494 56.842 55.300 0.079 0.000 1.096 345 M CB 0.045 32.679 32.600 0.056 0.000 1.408 345 M HN 0.184 nan 8.290 nan 0.000 0.463 346 E N -0.110 120.080 120.200 -0.017 0.000 2.112 346 E HA -0.135 4.215 4.350 0.000 0.000 0.190 346 E C 1.922 178.464 176.600 -0.096 0.000 0.979 346 E CA 0.794 57.169 56.400 -0.042 0.000 0.814 346 E CB 0.218 29.889 29.700 -0.047 0.000 0.762 346 E HN 0.412 nan 8.360 nan 0.000 0.460 347 R N -0.326 120.054 120.500 -0.199 0.000 2.075 347 R HA 0.059 4.399 4.340 0.000 0.000 0.226 347 R C 0.116 176.161 176.300 -0.425 0.000 1.114 347 R CA 0.857 56.712 56.100 -0.408 0.000 0.972 347 R CB 0.049 29.934 30.300 -0.693 0.000 0.869 347 R HN -0.016 nan 8.270 nan 0.000 0.437 348 F N 0.669 120.627 119.950 0.013 0.000 2.411 348 F HA 0.216 4.743 4.527 -0.000 0.000 0.352 348 F C 0.813 176.627 175.800 0.024 0.000 1.123 348 F CA -0.766 57.245 58.000 0.018 0.000 1.044 348 F CB 1.597 40.610 39.000 0.022 0.000 1.135 348 F HN -0.080 nan 8.300 nan 0.000 0.461 349 D N 1.611 122.138 120.400 0.213 0.000 2.371 349 D HA -0.099 4.541 4.640 0.000 0.000 0.221 349 D C 2.010 178.387 176.300 0.127 0.000 0.986 349 D CA 0.794 54.873 54.000 0.133 0.000 0.899 349 D CB 0.010 40.866 40.800 0.094 0.000 0.902 349 D HN 0.649 nan 8.370 nan 0.000 0.530 350 C N -0.134 119.256 119.300 0.149 0.000 2.481 350 C HA 0.217 4.677 4.460 0.000 0.000 0.275 350 C C 1.272 176.324 174.990 0.103 0.000 1.419 350 C CA -0.701 58.376 59.018 0.098 0.000 1.773 350 C CB -1.370 26.399 27.740 0.048 0.000 1.862 350 C HN 0.005 nan 8.230 nan 0.000 0.530 351 I N 2.347 122.996 120.570 0.131 0.000 2.301 351 I HA 0.371 4.541 4.170 0.000 0.000 0.292 351 I C 1.484 177.649 176.117 0.080 0.000 1.046 351 I CA 0.322 61.687 61.300 0.108 0.000 1.282 351 I CB 0.902 38.978 38.000 0.127 0.000 1.409 351 I HN 0.342 nan 8.210 nan 0.000 0.484 352 G N 4.017 112.853 108.800 0.060 0.000 2.595 352 G HA2 0.005 3.965 3.960 0.000 0.000 0.213 352 G HA3 0.005 3.965 3.960 0.000 0.000 0.213 352 G C -0.009 174.824 174.900 -0.112 0.000 1.141 352 G CA 0.348 45.497 45.100 0.083 0.000 0.806 352 G HN 0.566 nan 8.290 nan 0.000 0.530 353 D N -1.406 118.840 120.400 -0.255 0.000 2.717 353 D HA 0.461 5.101 4.640 0.000 0.000 0.223 353 D C -1.359 174.831 176.300 -0.182 0.000 1.240 353 D CA -0.347 53.423 54.000 -0.383 0.000 0.801 353 D CB 2.376 42.562 40.800 -1.023 0.000 1.556 353 D HN -0.109 nan 8.370 nan 0.000 0.462 354 V N 3.822 123.665 119.914 -0.118 0.000 2.443 354 V HA 0.662 4.782 4.120 0.000 0.000 0.293 354 V C -0.085 175.978 176.094 -0.052 0.000 1.021 354 V CA -0.537 61.731 62.300 -0.054 0.000 0.848 354 V CB 1.306 33.117 31.823 -0.019 0.000 0.998 354 V HN 0.623 nan 8.190 nan 0.000 0.424 355 R N 3.314 123.789 120.500 -0.043 0.000 2.885 355 R HA 0.995 5.335 4.340 0.000 0.000 0.260 355 R C 0.101 176.385 176.300 -0.027 0.000 1.107 355 R CA -0.328 55.755 56.100 -0.029 0.000 0.978 355 R CB 1.995 32.282 30.300 -0.021 0.000 1.227 355 R HN 1.185 nan 8.270 nan 0.000 0.473 356 G N 0.016 108.801 108.800 -0.025 0.000 2.362 356 G HA2 0.032 3.992 3.960 0.000 0.000 0.517 356 G HA3 0.032 3.992 3.960 0.000 0.000 0.517 356 G C -1.583 173.302 174.900 -0.026 0.000 1.256 356 G CA -0.477 44.604 45.100 -0.032 0.000 1.027 356 G HN 0.696 nan 8.290 nan 0.000 0.491 357 R N -0.475 120.007 120.500 -0.030 0.000 2.626 357 R HA 0.559 4.899 4.340 0.000 0.000 0.274 357 R C 1.037 177.315 176.300 -0.037 0.000 1.031 357 R CA 0.772 56.856 56.100 -0.026 0.000 0.898 357 R CB 1.356 31.646 30.300 -0.017 0.000 1.222 357 R HN 2.715 nan 8.270 nan 0.000 0.455 358 G N 2.749 111.527 108.800 -0.037 0.000 2.629 358 G HA2 -0.340 3.620 3.960 0.000 0.000 0.313 358 G HA3 -0.340 3.620 3.960 0.000 0.000 0.313 358 G C 0.156 175.017 174.900 -0.066 0.000 1.217 358 G CA 0.459 45.531 45.100 -0.047 0.000 0.994 358 G HN 0.499 nan 8.290 nan 0.000 0.549 359 L N 0.159 121.334 121.223 -0.080 0.000 2.912 359 L HA 0.485 4.825 4.340 0.000 0.000 0.240 359 L C 0.088 176.889 176.870 -0.116 0.000 1.262 359 L CA -0.215 54.558 54.840 -0.113 0.000 1.058 359 L CB 0.418 42.402 42.059 -0.125 0.000 1.383 359 L HN 0.326 nan 8.230 nan 0.000 0.512 360 L N 1.257 122.428 121.223 -0.087 0.000 2.457 360 L HA 0.498 4.838 4.340 0.000 0.000 0.252 360 L C -0.946 175.885 176.870 -0.065 0.000 1.132 360 L CA -0.215 54.581 54.840 -0.075 0.000 0.938 360 L CB 0.801 42.829 42.059 -0.053 0.000 1.246 360 L HN -0.095 nan 8.230 nan 0.000 0.476 361 L N 2.163 123.341 121.223 -0.075 0.000 2.322 361 L HA 0.960 5.300 4.340 0.000 0.000 0.269 361 L C 0.514 177.366 176.870 -0.031 0.000 1.012 361 L CA -0.601 54.206 54.840 -0.054 0.000 0.815 361 L CB 1.931 43.952 42.059 -0.064 0.000 1.295 361 L HN 0.516 nan 8.230 nan 0.000 0.438 362 G N 0.316 109.106 108.800 -0.016 0.000 2.591 362 G HA2 0.636 4.596 3.960 0.000 0.000 0.306 362 G HA3 0.636 4.596 3.960 0.000 0.000 0.306 362 G C -1.924 172.992 174.900 0.027 0.000 1.334 362 G CA -0.387 44.718 45.100 0.009 0.000 0.981 362 G HN 0.291 nan 8.290 nan 0.000 0.491 363 V N 1.327 121.294 119.914 0.088 0.000 2.409 363 V HA 0.365 4.485 4.120 0.000 0.000 0.290 363 V C -0.180 175.972 176.094 0.097 0.000 1.017 363 V CA -0.785 61.575 62.300 0.100 0.000 0.841 363 V CB 1.448 33.373 31.823 0.169 0.000 1.003 363 V HN 0.882 nan 8.190 nan 0.000 0.426 364 E N 5.284 125.488 120.200 0.007 0.000 2.130 364 E HA 0.369 4.720 4.350 0.000 0.000 0.284 364 E C -0.701 175.922 176.600 0.039 0.000 1.018 364 E CA -0.656 55.749 56.400 0.008 0.000 0.817 364 E CB 0.766 30.460 29.700 -0.011 0.000 1.078 364 E HN 0.499 nan 8.360 nan 0.000 0.396 365 I N 5.990 126.581 120.570 0.035 0.000 2.395 365 I HA 0.167 4.337 4.170 0.000 0.000 0.289 365 I C 0.420 176.571 176.117 0.055 0.000 1.023 365 I CA -0.398 60.931 61.300 0.049 0.000 1.350 365 I CB 0.460 38.474 38.000 0.024 0.000 1.409 365 I HN 0.384 nan 8.210 nan 0.000 0.507 366 V N 3.807 123.764 119.914 0.072 0.000 3.141 366 V HA 0.628 4.748 4.120 0.000 0.000 0.312 366 V C 0.329 176.455 176.094 0.053 0.000 1.157 366 V CA -0.808 61.536 62.300 0.073 0.000 1.041 366 V CB 2.282 34.172 31.823 0.111 0.000 1.071 366 V HN 0.657 nan 8.190 nan 0.000 0.441 367 K N 0.345 120.769 120.400 0.040 0.000 2.172 367 K HA 0.221 4.541 4.320 0.000 0.000 0.203 367 K C 0.609 177.230 176.600 0.035 0.000 1.040 367 K CA 1.198 57.504 56.287 0.031 0.000 0.974 367 K CB 0.039 32.550 32.500 0.019 0.000 0.857 367 K HN 0.902 nan 8.250 nan 0.000 0.464 368 D N 0.879 121.297 120.400 0.030 0.000 2.427 368 D HA 0.093 4.733 4.640 0.000 0.000 0.226 368 D C -0.418 175.904 176.300 0.036 0.000 1.076 368 D CA -0.263 53.753 54.000 0.026 0.000 0.849 368 D CB 0.828 41.634 40.800 0.010 0.000 1.052 368 D HN 0.097 nan 8.370 nan 0.000 0.515 369 R N 3.094 123.624 120.500 0.050 0.000 2.526 369 R HA -0.008 4.332 4.340 0.000 0.000 0.223 369 R C 0.082 176.410 176.300 0.047 0.000 1.250 369 R CA 0.445 56.585 56.100 0.068 0.000 1.227 369 R CB 0.088 30.435 30.300 0.077 0.000 1.109 369 R HN 0.297 nan 8.270 nan 0.000 0.499 370 R N -3.493 117.018 120.500 0.020 0.000 2.725 370 R HA 0.140 4.480 4.340 0.000 0.000 0.207 370 R C 1.445 177.727 176.300 -0.031 0.000 0.924 370 R CA 0.314 56.412 56.100 -0.003 0.000 1.098 370 R CB -0.016 30.284 30.300 -0.000 0.000 1.602 370 R HN -0.032 nan 8.270 nan 0.000 0.615 371 T N 1.268 115.807 114.554 -0.026 0.000 3.067 371 T HA 0.102 4.452 4.350 0.000 0.000 0.257 371 T C 0.033 174.694 174.700 -0.065 0.000 1.105 371 T CA 0.164 62.238 62.100 -0.043 0.000 1.104 371 T CB -0.026 68.827 68.868 -0.026 0.000 0.925 371 T HN 0.156 nan 8.240 nan 0.000 0.498 372 K N 1.755 122.128 120.400 -0.044 0.000 3.148 372 K HA -0.155 4.165 4.320 0.000 0.000 0.267 372 K C -0.233 176.348 176.600 -0.032 0.000 0.996 372 K CA 0.256 56.515 56.287 -0.047 0.000 0.737 372 K CB -0.966 31.396 32.500 -0.230 0.000 1.308 372 K HN 0.407 nan 8.250 nan 0.000 0.470 373 E N 1.527 121.723 120.200 -0.005 0.000 2.229 373 E HA 0.164 4.514 4.350 0.000 0.000 0.283 373 E C -2.454 174.158 176.600 0.019 0.000 1.030 373 E CA -2.334 54.065 56.400 -0.002 0.000 0.836 373 E CB 0.950 30.648 29.700 -0.004 0.000 1.068 373 E HN -0.052 nan 8.360 nan 0.000 0.401 374 P HA -0.025 nan 4.420 nan 0.000 0.264 374 P C -1.159 176.148 177.300 0.012 0.000 1.193 374 P CA 0.125 63.239 63.100 0.023 0.000 0.763 374 P CB 0.512 32.223 31.700 0.017 0.000 0.810 375 A N 3.349 126.175 122.820 0.010 0.000 2.376 375 A HA 0.110 4.431 4.320 0.000 0.000 0.298 375 A C 0.545 178.122 177.584 -0.012 0.000 1.271 375 A CA -0.418 51.620 52.037 0.002 0.000 0.926 375 A CB -0.450 18.554 19.000 0.007 0.000 1.141 375 A HN 0.600 nan 8.150 nan 0.000 0.539 376 D N 3.125 123.520 120.400 -0.009 0.000 2.346 376 D HA 0.251 4.891 4.640 0.000 0.000 0.267 376 D C 1.214 177.504 176.300 -0.017 0.000 1.320 376 D CA 1.179 55.171 54.000 -0.013 0.000 0.951 376 D CB -0.001 40.794 40.800 -0.008 0.000 1.079 376 D HN 1.013 nan 8.370 nan 0.000 0.509 377 G N 3.592 112.376 108.800 -0.025 0.000 2.284 377 G HA2 -0.359 3.601 3.960 0.000 0.000 0.247 377 G HA3 -0.359 3.601 3.960 0.000 0.000 0.247 377 G C 0.916 175.804 174.900 -0.020 0.000 1.012 377 G CA 0.349 45.435 45.100 -0.024 0.000 0.618 377 G HN 0.557 nan 8.290 nan 0.000 0.521 378 L N 2.013 123.226 121.223 -0.017 0.000 2.083 378 L HA 0.250 4.590 4.340 0.000 0.000 0.209 378 L C 2.731 179.604 176.870 0.005 0.000 1.083 378 L CA 3.229 58.064 54.840 -0.008 0.000 0.752 378 L CB -1.062 40.994 42.059 -0.005 0.000 0.899 378 L HN 0.429 nan 8.230 nan 0.000 0.433 379 G N -1.059 107.722 108.800 -0.032 0.000 2.459 379 G HA2 -0.286 3.674 3.960 0.000 0.000 0.217 379 G HA3 -0.286 3.674 3.960 0.000 0.000 0.217 379 G C 1.616 176.510 174.900 -0.009 0.000 1.183 379 G CA 0.909 45.959 45.100 -0.084 0.000 0.776 379 G HN 0.626 nan 8.290 nan 0.000 0.552 380 A N 0.373 123.174 122.820 -0.031 0.000 1.933 380 A HA -0.008 4.312 4.320 0.000 0.000 0.218 380 A C 2.286 179.887 177.584 0.028 0.000 1.175 380 A CA 2.026 54.061 52.037 -0.004 0.000 0.628 380 A CB -0.354 18.632 19.000 -0.023 0.000 0.814 380 A HN 0.372 nan 8.150 nan 0.000 0.444 381 K N -0.527 119.886 120.400 0.021 0.000 2.002 381 K HA -0.064 4.256 4.320 0.000 0.000 0.209 381 K C 1.886 178.508 176.600 0.037 0.000 1.048 381 K CA 1.559 57.857 56.287 0.017 0.000 0.930 381 K CB -0.357 32.144 32.500 0.002 0.000 0.714 381 K HN 0.543 nan 8.250 nan 0.000 0.438 382 I N 0.918 121.535 120.570 0.077 0.000 2.127 382 I HA -0.314 3.856 4.170 0.000 0.000 0.241 382 I C 2.184 178.376 176.117 0.124 0.000 1.075 382 I CA 1.549 62.908 61.300 0.099 0.000 1.334 382 I CB -0.674 37.461 38.000 0.224 0.000 1.040 382 I HN 0.247 nan 8.210 nan 0.000 0.405 383 T N 0.205 114.916 114.554 0.261 0.000 2.699 383 T HA -0.264 4.086 4.350 0.000 0.000 0.268 383 T C 1.993 176.747 174.700 0.091 0.000 1.036 383 T CA 1.447 63.690 62.100 0.238 0.000 1.147 383 T CB -0.388 68.622 68.868 0.236 0.000 0.862 383 T HN 0.323 nan 8.240 nan 0.000 0.446 384 R N 0.762 121.298 120.500 0.059 0.000 2.073 384 R HA -0.101 4.239 4.340 0.000 0.000 0.234 384 R C 2.452 178.755 176.300 0.005 0.000 1.134 384 R CA 1.307 57.422 56.100 0.024 0.000 0.952 384 R CB -0.056 30.252 30.300 0.012 0.000 0.850 384 R HN 0.358 nan 8.270 nan 0.000 0.433 385 E N 0.175 120.373 120.200 -0.003 0.000 2.106 385 E HA -0.181 4.169 4.350 0.000 0.000 0.192 385 E C 2.190 178.767 176.600 -0.038 0.000 0.984 385 E CA 0.990 57.377 56.400 -0.023 0.000 0.806 385 E CB -0.457 29.223 29.700 -0.032 0.000 0.750 385 E HN 0.420 nan 8.360 nan 0.000 0.458 386 C N 0.961 120.231 119.300 -0.050 0.000 2.388 386 C HA -0.192 4.268 4.460 0.000 0.000 0.277 386 C C 2.832 177.788 174.990 -0.057 0.000 1.210 386 C CA 1.287 60.257 59.018 -0.080 0.000 1.743 386 C CB -0.898 26.776 27.740 -0.111 0.000 2.047 386 C HN 0.406 nan 8.230 nan 0.000 0.458 387 M N 1.720 121.304 119.600 -0.027 0.000 2.106 387 M HA -0.126 4.354 4.480 0.000 0.000 0.259 387 M C 1.730 178.021 176.300 -0.015 0.000 1.068 387 M CA 1.749 57.041 55.300 -0.013 0.000 1.100 387 M CB -0.897 31.708 32.600 0.009 0.000 1.351 387 M HN 0.338 nan 8.290 nan 0.000 0.404 388 N N 0.201 118.892 118.700 -0.015 0.000 2.043 388 N HA -0.130 4.610 4.740 0.000 0.000 0.193 388 N C 1.667 177.165 175.510 -0.021 0.000 1.037 388 N CA 1.701 54.742 53.050 -0.014 0.000 0.851 388 N CB -0.693 37.784 38.487 -0.015 0.000 1.027 388 N HN 0.430 nan 8.380 nan 0.000 0.422 389 L N -0.612 120.592 121.223 -0.031 0.000 2.447 389 L HA -0.047 4.293 4.340 0.000 0.000 0.225 389 L C 1.099 177.944 176.870 -0.042 0.000 1.148 389 L CA 0.896 55.713 54.840 -0.039 0.000 0.808 389 L CB -0.607 41.420 42.059 -0.053 0.000 0.928 389 L HN 0.388 nan 8.230 nan 0.000 0.448 390 G N 0.269 109.045 108.800 -0.039 0.000 2.131 390 G HA2 -0.225 3.735 3.960 0.000 0.000 0.201 390 G HA3 -0.225 3.735 3.960 0.000 0.000 0.201 390 G C -0.182 174.686 174.900 -0.053 0.000 1.000 390 G CA -0.350 44.731 45.100 -0.032 0.000 0.680 390 G HN 0.189 nan 8.290 nan 0.000 0.514 391 L N 1.744 122.914 121.223 -0.089 0.000 2.342 391 L HA 0.680 5.020 4.340 0.000 0.000 0.276 391 L C 0.303 177.119 176.870 -0.090 0.000 0.997 391 L CA -0.564 54.184 54.840 -0.153 0.000 0.838 391 L CB 1.683 43.602 42.059 -0.234 0.000 1.224 391 L HN 0.190 nan 8.230 nan 0.000 0.416 392 S N 6.327 121.996 115.700 -0.052 0.000 2.455 392 S HA 0.494 4.964 4.470 0.000 0.000 0.278 392 S C -0.017 174.617 174.600 0.057 0.000 1.216 392 S CA -0.504 57.705 58.200 0.015 0.000 1.055 392 S CB 0.127 63.349 63.200 0.037 0.000 0.939 392 S HN 0.554 nan 8.310 nan 0.000 0.494 393 M N 3.952 123.595 119.600 0.072 0.000 2.796 393 M HA 0.491 4.971 4.480 0.000 0.000 0.303 393 M C -0.331 176.073 176.300 0.174 0.000 1.240 393 M CA -0.758 54.621 55.300 0.131 0.000 0.831 393 M CB 1.699 34.348 32.600 0.082 0.000 1.750 393 M HN 0.713 nan 8.290 nan 0.000 0.484 394 N N 1.208 120.051 118.700 0.239 0.000 2.549 394 N HA 0.359 5.099 4.740 0.000 0.000 0.290 394 N C -2.136 173.452 175.510 0.130 0.000 1.122 394 N CA -0.182 52.957 53.050 0.149 0.000 0.885 394 N CB 2.224 40.750 38.487 0.064 0.000 1.455 394 N HN 0.720 nan 8.380 nan 0.000 0.521 395 I N 3.685 124.247 120.570 -0.013 0.000 2.498 395 I HA 0.487 4.657 4.170 0.000 0.000 0.301 395 I C -0.710 175.302 176.117 -0.175 0.000 0.984 395 I CA -0.626 60.518 61.300 -0.261 0.000 1.204 395 I CB 1.688 39.311 38.000 -0.629 0.000 1.362 395 I HN 0.270 nan 8.210 nan 0.000 0.471 396 V N 4.010 123.818 119.914 -0.177 0.000 2.540 396 V HA 0.546 4.666 4.120 0.000 0.000 0.302 396 V C -0.830 175.196 176.094 -0.113 0.000 1.035 396 V CA -0.675 61.549 62.300 -0.126 0.000 0.873 396 V CB 1.434 33.191 31.823 -0.111 0.000 0.992 396 V HN 0.821 nan 8.190 nan 0.000 0.428 397 Q N 3.600 123.351 119.800 -0.083 0.000 2.357 397 Q HA 0.771 5.111 4.340 0.000 0.000 0.266 397 Q C -1.515 174.473 176.000 -0.020 0.000 1.021 397 Q CA -0.135 55.635 55.803 -0.056 0.000 0.784 397 Q CB 1.459 30.162 28.738 -0.058 0.000 1.243 397 Q HN 0.913 nan 8.270 nan 0.000 0.465 398 L N 5.383 126.606 121.223 -0.000 0.000 2.333 398 L HA 0.694 5.034 4.340 0.000 0.000 0.269 398 L C -2.094 174.801 176.870 0.041 0.000 1.010 398 L CA -2.053 52.802 54.840 0.025 0.000 0.818 398 L CB 1.653 43.729 42.059 0.028 0.000 1.306 398 L HN 0.610 nan 8.230 nan 0.000 0.430 399 P HA 0.082 nan 4.420 nan 0.000 0.261 399 P C 0.759 178.096 177.300 0.062 0.000 1.183 399 P CA 0.757 63.887 63.100 0.049 0.000 0.761 399 P CB 0.683 32.415 31.700 0.054 0.000 0.785 400 G N 2.157 110.988 108.800 0.050 0.000 2.205 400 G HA2 -0.255 3.705 3.960 0.000 0.000 0.261 400 G HA3 -0.255 3.705 3.960 0.000 0.000 0.261 400 G C 0.044 174.984 174.900 0.067 0.000 0.980 400 G CA 0.359 45.489 45.100 0.050 0.000 0.632 400 G HN 0.516 nan 8.290 nan 0.000 0.533 401 M N -0.108 119.550 119.600 0.096 0.000 2.796 401 M HA 0.652 5.132 4.480 0.000 0.000 0.303 401 M C 0.944 177.300 176.300 0.095 0.000 1.240 401 M CA -0.312 55.074 55.300 0.142 0.000 0.831 401 M CB 1.589 34.340 32.600 0.252 0.000 1.750 401 M HN 0.217 nan 8.290 nan 0.000 0.484 402 G N -0.412 108.460 108.800 0.120 0.000 2.562 402 G HA2 0.535 4.495 3.960 0.000 0.000 0.275 402 G HA3 0.535 4.495 3.960 0.000 0.000 0.275 402 G C -0.191 174.720 174.900 0.018 0.000 1.196 402 G CA -0.678 44.462 45.100 0.067 0.000 0.908 402 G HN 0.858 nan 8.290 nan 0.000 0.524 403 G N -1.462 107.308 108.800 -0.051 0.000 2.398 403 G HA2 0.426 4.386 3.960 0.000 0.000 0.246 403 G HA3 0.426 4.386 3.960 0.000 0.000 0.246 403 G C -0.463 174.323 174.900 -0.189 0.000 1.289 403 G CA -0.097 44.917 45.100 -0.143 0.000 0.869 403 G HN 0.632 nan 8.290 nan 0.000 0.543 404 V N 2.830 122.623 119.914 -0.201 0.000 2.448 404 V HA 0.368 4.488 4.120 0.000 0.000 0.295 404 V C -0.432 175.532 176.094 -0.218 0.000 1.025 404 V CA -0.717 61.487 62.300 -0.160 0.000 0.859 404 V CB 1.428 33.211 31.823 -0.067 0.000 0.988 404 V HN 0.611 nan 8.190 nan 0.000 0.431 405 F N 3.882 123.822 119.950 -0.016 0.000 2.427 405 F HA 0.469 4.996 4.527 0.000 0.000 0.352 405 F C 1.091 176.876 175.800 -0.025 0.000 1.100 405 F CA -0.251 57.741 58.000 -0.013 0.000 1.191 405 F CB 0.853 39.855 39.000 0.003 0.000 1.128 405 F HN 0.281 nan 8.300 nan 0.000 0.533 406 R N 5.451 126.047 120.500 0.161 0.000 2.239 406 R HA 0.473 4.813 4.340 0.000 0.000 0.332 406 R C -0.980 175.353 176.300 0.054 0.000 0.988 406 R CA -0.470 55.665 56.100 0.058 0.000 0.859 406 R CB 1.011 31.309 30.300 -0.004 0.000 1.148 406 R HN 0.596 nan 8.270 nan 0.000 0.482 407 I N 2.017 122.590 120.570 0.005 0.000 2.339 407 I HA 0.429 4.599 4.170 0.000 0.000 0.290 407 I C 0.117 176.132 176.117 -0.170 0.000 0.994 407 I CA -0.496 60.755 61.300 -0.081 0.000 1.191 407 I CB 1.855 39.793 38.000 -0.104 0.000 1.343 407 I HN 0.609 nan 8.210 nan 0.000 0.458 408 A N 8.234 130.928 122.820 -0.211 0.000 2.969 408 A HA 0.547 4.867 4.320 0.000 0.000 0.303 408 A C -2.868 174.581 177.584 -0.224 0.000 1.198 408 A CA -1.022 50.894 52.037 -0.200 0.000 0.819 408 A CB 0.337 19.269 19.000 -0.114 0.000 1.385 408 A HN 0.340 nan 8.150 nan 0.000 0.479 409 P HA 0.456 nan 4.420 nan 0.000 0.278 409 P C -2.815 174.382 177.300 -0.172 0.000 1.258 409 P CA -1.621 61.312 63.100 -0.278 0.000 0.811 409 P CB -0.030 31.402 31.700 -0.446 0.000 1.063 410 P HA 0.033 nan 4.420 nan 0.000 0.266 410 P C 1.050 178.300 177.300 -0.082 0.000 1.186 410 P CA 0.415 63.459 63.100 -0.094 0.000 0.767 410 P CB 0.177 31.837 31.700 -0.068 0.000 0.820 411 L N 1.205 122.384 121.223 -0.074 0.000 2.465 411 L HA -0.079 4.261 4.340 0.000 0.000 0.224 411 L C 1.738 178.587 176.870 -0.034 0.000 1.145 411 L CA 1.485 56.287 54.840 -0.064 0.000 0.834 411 L CB -1.177 40.840 42.059 -0.069 0.000 0.944 411 L HN 0.477 nan 8.230 nan 0.000 0.451 412 T N -3.602 110.944 114.554 -0.014 0.000 3.107 412 T HA 0.089 4.439 4.350 0.000 0.000 0.249 412 T C 0.801 175.517 174.700 0.026 0.000 1.096 412 T CA -0.265 61.850 62.100 0.026 0.000 1.012 412 T CB -0.211 68.704 68.868 0.078 0.000 0.977 412 T HN 0.036 nan 8.240 nan 0.000 0.527 413 V N 3.702 123.616 119.914 0.001 0.000 2.843 413 V HA 0.252 4.372 4.120 0.000 0.000 0.305 413 V C 0.683 176.797 176.094 0.034 0.000 1.120 413 V CA 0.117 62.424 62.300 0.012 0.000 1.254 413 V CB 0.603 32.419 31.823 -0.012 0.000 0.901 413 V HN 0.770 nan 8.190 nan 0.000 0.503 414 S N 4.629 120.364 115.700 0.059 0.000 2.669 414 S HA 0.362 4.832 4.470 0.000 0.000 0.270 414 S C 0.892 175.530 174.600 0.063 0.000 1.225 414 S CA 0.052 58.291 58.200 0.064 0.000 0.991 414 S CB 1.321 64.573 63.200 0.086 0.000 0.987 414 S HN 0.806 nan 8.310 nan 0.000 0.552 415 E N 0.922 121.154 120.200 0.053 0.000 2.106 415 E HA -0.152 4.198 4.350 0.000 0.000 0.192 415 E C 0.933 177.570 176.600 0.061 0.000 0.984 415 E CA 1.212 57.642 56.400 0.049 0.000 0.806 415 E CB -0.355 29.367 29.700 0.037 0.000 0.750 415 E HN 0.680 nan 8.360 nan 0.000 0.458 416 D N 1.248 121.688 120.400 0.067 0.000 2.144 416 D HA -0.115 4.525 4.640 0.000 0.000 0.200 416 D C 1.769 178.126 176.300 0.094 0.000 0.978 416 D CA 0.875 54.918 54.000 0.073 0.000 0.833 416 D CB -0.106 40.738 40.800 0.073 0.000 0.961 416 D HN 0.295 nan 8.370 nan 0.000 0.470 417 E N 0.069 120.338 120.200 0.116 0.000 2.106 417 E HA -0.083 4.267 4.350 0.000 0.000 0.192 417 E C 2.135 178.817 176.600 0.136 0.000 0.984 417 E CA 0.271 56.748 56.400 0.129 0.000 0.806 417 E CB 0.188 29.955 29.700 0.111 0.000 0.750 417 E HN 0.222 nan 8.360 nan 0.000 0.458 418 I N 1.536 122.197 120.570 0.153 0.000 2.315 418 I HA -0.210 3.960 4.170 0.000 0.000 0.248 418 I C 1.538 177.742 176.117 0.145 0.000 1.117 418 I CA 1.238 62.663 61.300 0.209 0.000 1.404 418 I CB -0.572 37.503 38.000 0.126 0.000 1.071 418 I HN 0.089 nan 8.210 nan 0.000 0.419 419 D N 0.720 121.170 120.400 0.084 0.000 2.097 419 D HA -0.164 4.476 4.640 0.000 0.000 0.197 419 D C 2.069 178.382 176.300 0.022 0.000 0.984 419 D CA 0.814 54.845 54.000 0.051 0.000 0.826 419 D CB -0.354 40.471 40.800 0.042 0.000 0.973 419 D HN 0.112 nan 8.370 nan 0.000 0.460 420 L N 1.096 122.329 121.223 0.016 0.000 1.990 420 L HA -0.102 4.238 4.340 0.000 0.000 0.213 420 L C 2.232 179.030 176.870 -0.119 0.000 1.072 420 L CA 2.371 57.198 54.840 -0.022 0.000 0.755 420 L CB -1.141 40.931 42.059 0.021 0.000 0.889 420 L HN 0.106 nan 8.230 nan 0.000 0.432 421 G N -0.626 108.033 108.800 -0.235 0.000 2.446 421 G HA2 -0.251 3.709 3.960 0.000 0.000 0.217 421 G HA3 -0.251 3.709 3.960 0.000 0.000 0.217 421 G C 1.515 176.275 174.900 -0.232 0.000 1.168 421 G CA 0.927 45.705 45.100 -0.537 0.000 0.771 421 G HN 0.347 nan 8.290 nan 0.000 0.551 422 L N 1.030 122.226 121.223 -0.044 0.000 2.042 422 L HA -0.032 4.308 4.340 0.000 0.000 0.210 422 L C 3.032 179.894 176.870 -0.014 0.000 1.076 422 L CA 1.755 56.601 54.840 0.010 0.000 0.749 422 L CB -1.318 40.769 42.059 0.047 0.000 0.893 422 L HN 0.291 nan 8.230 nan 0.000 0.432 423 S N -0.519 115.166 115.700 -0.025 0.000 2.378 423 S HA -0.187 4.283 4.470 0.000 0.000 0.221 423 S C 2.080 176.661 174.600 -0.033 0.000 1.037 423 S CA 1.474 59.664 58.200 -0.017 0.000 1.069 423 S CB -0.276 62.912 63.200 -0.020 0.000 1.006 423 S HN 0.360 nan 8.310 nan 0.000 0.423 424 L N 0.882 122.060 121.223 -0.075 0.000 2.043 424 L HA -0.166 4.174 4.340 0.000 0.000 0.212 424 L C 2.540 179.349 176.870 -0.102 0.000 1.075 424 L CA 1.214 55.998 54.840 -0.094 0.000 0.752 424 L CB -0.677 41.296 42.059 -0.144 0.000 0.891 424 L HN 0.369 nan 8.230 nan 0.000 0.432 425 L N 0.317 121.467 121.223 -0.121 0.000 2.083 425 L HA -0.078 4.262 4.340 0.000 0.000 0.209 425 L C 2.332 179.163 176.870 -0.065 0.000 1.083 425 L CA 2.048 56.809 54.840 -0.132 0.000 0.752 425 L CB -0.876 41.097 42.059 -0.143 0.000 0.899 425 L HN 0.123 nan 8.230 nan 0.000 0.433 426 G N -1.460 107.360 108.800 0.034 0.000 2.402 426 G HA2 -0.229 3.732 3.960 0.000 0.000 0.216 426 G HA3 -0.229 3.732 3.960 0.000 0.000 0.216 426 G C 1.367 176.337 174.900 0.117 0.000 1.162 426 G CA 0.653 45.864 45.100 0.185 0.000 0.777 426 G HN 0.565 nan 8.290 nan 0.000 0.539 427 Q N 0.463 120.290 119.800 0.045 0.000 2.124 427 Q HA 0.015 4.355 4.340 0.000 0.000 0.202 427 Q C 2.912 178.896 176.000 -0.027 0.000 0.977 427 Q CA 1.208 57.024 55.803 0.022 0.000 0.850 427 Q CB -0.302 28.436 28.738 -0.000 0.000 0.901 427 Q HN 0.461 nan 8.270 nan 0.000 0.429 428 A N 1.423 124.202 122.820 -0.068 0.000 1.898 428 A HA -0.145 4.175 4.320 0.000 0.000 0.216 428 A C 2.102 179.601 177.584 -0.142 0.000 1.181 428 A CA 1.004 52.984 52.037 -0.096 0.000 0.620 428 A CB -0.547 18.381 19.000 -0.119 0.000 0.819 428 A HN 0.260 nan 8.150 nan 0.000 0.442 429 I N 0.243 120.669 120.570 -0.241 0.000 2.090 429 I HA -0.300 3.870 4.170 0.000 0.000 0.236 429 I C 2.676 178.545 176.117 -0.413 0.000 1.064 429 I CA 1.996 63.009 61.300 -0.479 0.000 1.324 429 I CB -1.032 36.323 38.000 -1.074 0.000 1.044 429 I HN 0.684 nan 8.210 nan 0.000 0.399 430 E N 2.088 122.132 120.200 -0.260 0.000 2.219 430 E HA -0.319 4.031 4.350 0.000 0.000 0.198 430 E C 2.258 178.852 176.600 -0.009 0.000 0.998 430 E CA 1.723 58.137 56.400 0.022 0.000 0.818 430 E CB -0.358 29.481 29.700 0.232 0.000 0.741 430 E HN 0.464 nan 8.360 nan 0.000 0.477 431 R N 0.468 120.944 120.500 -0.039 0.000 2.093 431 R HA 0.045 4.385 4.340 0.000 0.000 0.224 431 R C 2.166 178.444 176.300 -0.036 0.000 1.101 431 R CA 1.150 57.234 56.100 -0.026 0.000 0.979 431 R CB -0.221 30.064 30.300 -0.025 0.000 0.877 431 R HN 0.222 nan 8.270 nan 0.000 0.441 432 A N 0.779 123.561 122.820 -0.063 0.000 2.169 432 A HA 0.211 4.531 4.320 0.000 0.000 0.212 432 A C 0.847 178.404 177.584 -0.045 0.000 1.153 432 A CA 0.108 52.115 52.037 -0.050 0.000 0.756 432 A CB -0.121 18.848 19.000 -0.052 0.000 0.813 432 A HN 0.220 nan 8.150 nan 0.000 0.471 433 L N 0.000 121.190 121.223 -0.055 0.000 2.949 433 L HA 0.000 4.340 4.340 0.000 0.000 0.249 433 L CA 0.000 54.821 54.840 -0.031 0.000 0.813 433 L CB 0.000 42.042 42.059 -0.028 0.000 0.961 433 L HN 0.000 nan 8.230 nan 0.000 0.502