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 1hjv_1_C DATA FIRST_RESID 22 DATA SEQUENCE YKLVcYYTSW SQYREGDGSC FPDALDRFLc THIIYSFANI SNDHIDTWEW DATA SEQUENCE NDVTLYGMLN TLKNRNPNLK TLLSVGGWNF GSQRFSKIAS NTQSRRTFIK DATA SEQUENCE SVPPFLRTHG FDGLDLAWLY PGRRDKQHFT TLIKEMKAEF IKEAQPGKKQ DATA SEQUENCE LLLSAALSAG KVTIDSSYDI AKISQHLDFI SIMTYDFHGA WRGTTGHHSP DATA SEQUENCE LFRGQEDASP DRFSNTDYAV GYMLRLGAPA SKLVMGIPTF GRSFTLASSE DATA SEQUENCE TGVGAPISGP GIPGRFTKEA GTLAYYEIcD FLRGATVHRI LGQQVPYATK DATA SEQUENCE GNQWVGYDDQ ESVKSKVQYL KDRQLAGAMV WALDLDDFQG SFcGQDLRFP DATA SEQUENCE LTNAIKDALA AT 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 22 Y HA 0.000 nan 4.550 nan 0.000 0.201 22 Y C 0.000 175.874 175.900 -0.043 0.000 1.272 22 Y CA 0.000 58.081 58.100 -0.031 0.000 1.940 22 Y CB 0.000 38.444 38.460 -0.027 0.000 1.050 23 K N 1.779 122.216 120.400 0.063 0.000 2.180 23 K HA 0.586 4.906 4.320 -0.000 0.000 0.251 23 K C -1.100 175.453 176.600 -0.079 0.000 1.014 23 K CA -0.685 55.549 56.287 -0.088 0.000 0.913 23 K CB 0.753 33.041 32.500 -0.353 0.000 1.008 23 K HN 0.451 nan 8.250 nan 0.000 0.490 24 L N 1.957 123.122 121.223 -0.097 0.000 2.492 24 L HA 0.188 4.528 4.340 -0.000 0.000 0.259 24 L C -1.469 175.371 176.870 -0.049 0.000 1.229 24 L CA -0.348 54.464 54.840 -0.047 0.000 0.903 24 L CB 1.230 43.305 42.059 0.027 0.000 1.114 24 L HN 0.239 nan 8.230 nan 0.000 0.494 25 V N 2.643 122.467 119.914 -0.150 0.000 2.439 25 V HA 0.262 4.382 4.120 -0.000 0.000 0.271 25 V C 0.104 176.189 176.094 -0.014 0.000 1.040 25 V CA -0.021 62.214 62.300 -0.109 0.000 1.002 25 V CB 0.512 32.207 31.823 -0.214 0.000 1.000 25 V HN 0.790 nan 8.190 nan 0.000 0.477 26 c N 5.608 124.201 118.600 -0.012 0.000 2.369 26 c HA 0.586 5.156 4.570 -0.000 0.000 0.322 26 c C -0.129 173.945 174.090 -0.026 0.000 1.258 26 c CA -1.348 55.004 56.329 0.039 0.000 1.487 26 c CB 0.255 42.794 42.510 0.048 0.000 2.165 26 c HN 0.745 nan 8.230 nan 0.000 0.483 27 Y N 0.896 121.224 120.300 0.047 0.000 2.300 27 Y HA 0.428 4.978 4.550 -0.000 0.000 0.328 27 Y C 0.032 175.780 175.900 -0.254 0.000 1.270 27 Y CA 0.293 58.340 58.100 -0.088 0.000 1.352 27 Y CB 0.534 38.944 38.460 -0.084 0.000 1.286 27 Y HN 0.697 nan 8.280 nan 0.000 0.536 28 Y N 1.287 121.389 120.300 -0.331 0.000 2.406 28 Y HA 0.395 4.945 4.550 -0.000 0.000 0.340 28 Y C -0.527 174.833 175.900 -0.900 0.000 0.975 28 Y CA -1.328 56.443 58.100 -0.548 0.000 1.056 28 Y CB 1.239 39.466 38.460 -0.388 0.000 1.210 28 Y HN 0.649 nan 8.280 nan 0.000 0.448 29 T N 0.913 114.369 114.554 -1.829 0.000 2.882 29 T HA 0.302 4.652 4.350 -0.000 0.000 0.287 29 T C 0.921 174.294 174.700 -2.212 0.000 0.992 29 T CA -0.049 60.684 62.100 -2.277 0.000 1.076 29 T CB 1.365 68.552 68.868 -2.801 0.000 0.961 29 T HN 0.712 nan 8.240 nan 0.000 0.490 30 S N 1.018 115.777 115.700 -1.569 0.000 2.461 30 S HA -0.047 4.423 4.470 -0.000 0.000 0.228 30 S C 1.381 175.601 174.600 -0.633 0.000 1.005 30 S CA 0.014 57.732 58.200 -0.804 0.000 0.942 30 S CB -0.811 62.255 63.200 -0.224 0.000 0.776 30 S HN 1.002 nan 8.310 nan 0.000 0.514 31 W N 2.350 123.299 121.300 -0.585 0.000 3.290 31 W HA 0.423 5.083 4.660 -0.000 0.000 0.287 31 W C 1.389 177.563 176.519 -0.576 0.000 1.288 31 W CA -0.011 57.000 57.345 -0.557 0.000 1.725 31 W CB -0.730 28.582 29.460 -0.245 0.000 1.103 31 W HN 0.259 nan 8.180 nan 0.000 0.670 32 S N 0.747 115.840 115.700 -1.010 0.000 2.660 32 S HA -0.173 4.297 4.470 -0.000 0.000 0.228 32 S C 1.550 175.809 174.600 -0.569 0.000 0.966 32 S CA 0.987 58.718 58.200 -0.782 0.000 0.940 32 S CB -0.664 61.925 63.200 -1.018 0.000 0.773 32 S HN 0.727 nan 8.310 nan 0.000 0.535 33 Q N -0.149 119.252 119.800 -0.664 0.000 2.287 33 Q HA 0.092 4.432 4.340 -0.000 0.000 0.201 33 Q C 0.133 176.081 176.000 -0.087 0.000 0.946 33 Q CA 0.114 55.564 55.803 -0.587 0.000 0.868 33 Q CB -0.681 27.498 28.738 -0.931 0.000 0.967 33 Q HN 0.602 nan 8.270 nan 0.000 0.516 34 Y N 2.443 122.799 120.300 0.093 0.000 3.267 34 Y HA 0.280 4.830 4.550 -0.000 0.000 0.381 34 Y C -0.248 175.753 175.900 0.167 0.000 1.023 34 Y CA -0.137 58.068 58.100 0.175 0.000 2.048 34 Y CB -0.782 37.799 38.460 0.201 0.000 2.239 34 Y HN 0.055 nan 8.280 nan 0.000 0.410 35 R N 0.218 120.882 120.500 0.273 0.000 2.686 35 R HA 0.293 4.633 4.340 -0.000 0.000 0.286 35 R C -0.020 176.462 176.300 0.304 0.000 0.969 35 R CA -0.981 55.285 56.100 0.276 0.000 0.898 35 R CB 2.052 32.514 30.300 0.271 0.000 1.183 35 R HN 0.374 nan 8.270 nan 0.000 0.456 36 E N 0.836 121.197 120.200 0.269 0.000 2.458 36 E HA -0.022 4.328 4.350 -0.000 0.000 0.264 36 E C 0.972 177.787 176.600 0.357 0.000 1.097 36 E CA 0.779 57.307 56.400 0.212 0.000 0.973 36 E CB 0.377 30.086 29.700 0.015 0.000 0.963 36 E HN 0.797 nan 8.360 nan 0.000 0.451 37 G N 3.232 112.192 108.800 0.267 0.000 2.651 37 G HA2 -0.407 3.553 3.960 -0.000 0.000 0.387 37 G HA3 -0.407 3.553 3.960 -0.000 0.000 0.387 37 G C 0.498 175.614 174.900 0.360 0.000 1.291 37 G CA 0.787 46.074 45.100 0.312 0.000 0.958 37 G HN 0.787 nan 8.290 nan 0.000 0.549 38 D N 1.671 122.301 120.400 0.383 0.000 2.392 38 D HA 0.026 4.665 4.640 -0.000 0.000 0.228 38 D C 2.096 178.418 176.300 0.036 0.000 1.003 38 D CA 1.078 55.155 54.000 0.128 0.000 0.917 38 D CB -0.485 40.303 40.800 -0.019 0.000 0.890 38 D HN 0.542 nan 8.370 nan 0.000 0.532 39 G N 0.450 109.417 108.800 0.279 0.000 2.985 39 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.209 39 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.209 39 G C 0.619 175.716 174.900 0.328 0.000 1.165 39 G CA -0.186 45.045 45.100 0.220 0.000 0.776 39 G HN 0.132 nan 8.290 nan 0.000 0.541 40 S N -0.235 115.673 115.700 0.346 0.000 2.489 40 S HA 0.379 4.849 4.470 -0.000 0.000 0.277 40 S C -0.310 174.491 174.600 0.336 0.000 1.230 40 S CA -0.620 57.753 58.200 0.289 0.000 1.053 40 S CB 0.510 63.935 63.200 0.375 0.000 0.955 40 S HN 0.192 nan 8.310 nan 0.000 0.488 41 C N 6.948 126.249 119.300 0.002 0.000 2.345 41 C HA 0.777 5.237 4.460 -0.000 0.000 0.323 41 C C -1.164 173.734 174.990 -0.154 0.000 1.276 41 C CA -0.751 58.246 59.018 -0.036 0.000 1.543 41 C CB -0.861 26.525 27.740 -0.589 0.000 2.211 41 C HN 0.872 nan 8.230 nan 0.000 0.493 42 F N 5.723 125.788 119.950 0.191 0.000 2.532 42 F HA 0.447 4.974 4.527 -0.000 0.000 0.321 42 F C -1.450 174.331 175.800 -0.032 0.000 1.089 42 F CA -1.885 56.197 58.000 0.136 0.000 0.926 42 F CB 1.635 40.698 39.000 0.105 0.000 1.168 42 F HN 0.386 nan 8.300 nan 0.000 0.459 43 P HA -0.233 nan 4.420 nan 0.000 0.218 43 P C 0.904 178.150 177.300 -0.090 0.000 1.147 43 P CA 1.734 64.648 63.100 -0.310 0.000 0.827 43 P CB 0.058 31.659 31.700 -0.165 0.000 0.778 44 D N -1.408 119.022 120.400 0.050 0.000 2.349 44 D HA 0.005 4.645 4.640 -0.000 0.000 0.224 44 D C 1.319 177.666 176.300 0.078 0.000 1.029 44 D CA 0.495 54.520 54.000 0.042 0.000 0.879 44 D CB -0.328 40.499 40.800 0.045 0.000 0.906 44 D HN 0.137 nan 8.370 nan 0.000 0.528 45 A N 0.441 123.347 122.820 0.145 0.000 2.238 45 A HA 0.233 4.553 4.320 -0.000 0.000 0.210 45 A C 1.242 178.983 177.584 0.262 0.000 1.179 45 A CA -0.291 51.889 52.037 0.238 0.000 0.827 45 A CB -0.141 19.098 19.000 0.397 0.000 0.856 45 A HN 0.210 nan 8.150 nan 0.000 0.488 46 L N 0.999 122.285 121.223 0.105 0.000 2.331 46 L HA 0.196 4.536 4.340 -0.000 0.000 0.278 46 L C -0.091 176.676 176.870 -0.172 0.000 1.106 46 L CA -0.699 54.118 54.840 -0.039 0.000 0.824 46 L CB 0.562 42.544 42.059 -0.128 0.000 1.142 46 L HN 0.176 nan 8.230 nan 0.000 0.443 47 D N 3.696 123.876 120.400 -0.367 0.000 2.368 47 D HA -0.040 4.600 4.640 -0.000 0.000 0.268 47 D C 1.354 177.497 176.300 -0.261 0.000 1.298 47 D CA -0.137 53.699 54.000 -0.274 0.000 0.938 47 D CB 0.822 41.408 40.800 -0.355 0.000 1.101 47 D HN 0.566 nan 8.370 nan 0.000 0.509 48 R N 2.833 123.163 120.500 -0.284 0.000 2.241 48 R HA -0.120 4.220 4.340 -0.000 0.000 0.224 48 R C 0.739 176.780 176.300 -0.432 0.000 1.101 48 R CA 0.990 56.852 56.100 -0.398 0.000 0.995 48 R CB -0.268 29.710 30.300 -0.537 0.000 0.870 48 R HN 0.256 nan 8.270 nan 0.000 0.463 49 F N 0.219 120.124 119.950 -0.075 0.000 2.668 49 F HA 0.237 4.764 4.527 -0.000 0.000 0.297 49 F C 1.146 176.909 175.800 -0.062 0.000 1.124 49 F CA -0.709 57.259 58.000 -0.053 0.000 1.353 49 F CB 0.484 39.463 39.000 -0.035 0.000 0.992 49 F HN -0.009 nan 8.300 nan 0.000 0.524 50 L N -0.664 120.568 121.223 0.015 0.000 2.185 50 L HA 0.243 4.583 4.340 -0.000 0.000 0.198 50 L C 0.767 177.634 176.870 -0.006 0.000 1.079 50 L CA 1.276 56.095 54.840 -0.034 0.000 0.780 50 L CB -0.124 41.813 42.059 -0.203 0.000 0.955 50 L HN 0.028 nan 8.230 nan 0.000 0.462 51 c N -0.628 117.957 118.600 -0.026 0.000 2.349 51 c HA 0.505 5.075 4.570 -0.000 0.000 0.361 51 c C 1.897 176.019 174.090 0.054 0.000 1.189 51 c CA 0.127 56.467 56.329 0.018 0.000 2.155 51 c CB 1.240 43.754 42.510 0.006 0.000 2.336 51 c HN 0.630 nan 8.230 nan 0.000 0.540 52 T N -2.378 112.251 114.554 0.125 0.000 3.044 52 T HA 0.167 4.516 4.350 -0.000 0.000 0.250 52 T C 0.067 174.894 174.700 0.211 0.000 1.081 52 T CA 0.775 62.986 62.100 0.185 0.000 1.040 52 T CB -0.192 68.839 68.868 0.271 0.000 0.962 52 T HN 0.786 nan 8.240 nan 0.000 0.506 53 H N -0.518 118.544 119.070 -0.012 0.000 2.930 53 H HA 0.704 5.260 4.556 -0.000 0.000 0.371 53 H C -1.216 174.095 175.328 -0.028 0.000 1.169 53 H CA -1.174 54.875 56.048 0.002 0.000 1.157 53 H CB 1.594 31.367 29.762 0.017 0.000 1.789 53 H HN 0.158 nan 8.280 nan 0.000 0.547 54 I N 3.292 123.907 120.570 0.076 0.000 2.512 54 I HA 0.312 4.482 4.170 -0.000 0.000 0.287 54 I C -0.755 175.360 176.117 -0.003 0.000 1.069 54 I CA -0.399 60.909 61.300 0.013 0.000 1.056 54 I CB 1.753 39.757 38.000 0.006 0.000 1.229 54 I HN 0.355 nan 8.210 nan 0.000 0.429 55 I N 6.166 126.666 120.570 -0.117 0.000 2.330 55 I HA 0.232 4.402 4.170 -0.000 0.000 0.289 55 I C -0.598 175.495 176.117 -0.040 0.000 1.001 55 I CA -0.758 60.456 61.300 -0.144 0.000 1.193 55 I CB 1.125 38.883 38.000 -0.402 0.000 1.345 55 I HN 0.465 nan 8.210 nan 0.000 0.461 56 Y N 6.856 127.070 120.300 -0.144 0.000 2.442 56 Y HA 0.270 4.820 4.550 -0.000 0.000 0.330 56 Y C 0.452 176.273 175.900 -0.132 0.000 1.129 56 Y CA 0.104 58.158 58.100 -0.076 0.000 1.365 56 Y CB 0.772 39.156 38.460 -0.126 0.000 1.233 56 Y HN 0.638 nan 8.280 nan 0.000 0.529 57 S N 5.174 120.505 115.700 -0.615 0.000 2.540 57 S HA 0.716 5.186 4.470 -0.000 0.000 0.275 57 S C -1.317 172.866 174.600 -0.696 0.000 1.123 57 S CA -0.828 56.930 58.200 -0.737 0.000 0.907 57 S CB 1.309 63.673 63.200 -1.392 0.000 1.081 57 S HN 0.466 nan 8.310 nan 0.000 0.476 58 F N 0.666 120.640 119.950 0.040 0.000 2.631 58 F HA 0.897 5.423 4.527 -0.000 0.000 0.350 58 F C 0.502 176.486 175.800 0.307 0.000 1.080 58 F CA -0.707 57.382 58.000 0.149 0.000 1.026 58 F CB 1.668 40.716 39.000 0.079 0.000 1.347 58 F HN 0.957 nan 8.300 nan 0.000 0.501 59 A N 1.280 124.467 122.820 0.612 0.000 2.371 59 A HA 0.605 4.925 4.320 -0.000 0.000 0.311 59 A C -0.944 177.060 177.584 0.699 0.000 1.068 59 A CA -0.617 51.784 52.037 0.607 0.000 0.744 59 A CB 1.178 20.376 19.000 0.331 0.000 1.239 59 A HN 0.724 nan 8.150 nan 0.000 0.435 60 N N 0.389 119.540 118.700 0.752 0.000 2.418 60 N HA 0.679 5.419 4.740 -0.000 0.000 0.283 60 N C -0.815 174.903 175.510 0.346 0.000 1.267 60 N CA -0.260 53.139 53.050 0.582 0.000 0.975 60 N CB 0.482 39.013 38.487 0.073 0.000 1.167 60 N HN 0.519 nan 8.380 nan 0.000 0.581 61 I N 0.411 121.113 120.570 0.220 0.000 2.531 61 I HA 0.145 4.315 4.170 -0.000 0.000 0.283 61 I C -0.418 175.645 176.117 -0.091 0.000 1.083 61 I CA -0.420 60.906 61.300 0.043 0.000 1.071 61 I CB 1.891 39.792 38.000 -0.165 0.000 1.210 61 I HN 0.368 nan 8.210 nan 0.000 0.450 62 S N 4.879 120.569 115.700 -0.017 0.000 2.967 62 S HA 0.134 4.603 4.470 -0.000 0.000 0.254 62 S C 0.224 174.665 174.600 -0.265 0.000 1.089 62 S CA 0.058 58.243 58.200 -0.026 0.000 1.183 62 S CB -0.845 62.502 63.200 0.245 0.000 0.848 62 S HN 0.717 nan 8.310 nan 0.000 0.477 63 N N 2.488 120.921 118.700 -0.445 0.000 2.933 63 N HA -0.112 4.628 4.740 -0.000 0.000 0.269 63 N C -0.813 174.292 175.510 -0.674 0.000 1.154 63 N CA 0.473 53.251 53.050 -0.453 0.000 0.662 63 N CB -0.864 37.475 38.487 -0.246 0.000 1.049 63 N HN 0.403 nan 8.380 nan 0.000 0.549 64 D N -1.421 118.728 120.400 -0.419 0.000 2.946 64 D HA -0.235 4.405 4.640 -0.000 0.000 0.202 64 D C -0.249 176.059 176.300 0.013 0.000 1.068 64 D CA 1.818 55.712 54.000 -0.176 0.000 1.011 64 D CB -1.497 39.270 40.800 -0.056 0.000 1.105 64 D HN 0.889 nan 8.370 nan 0.000 0.425 65 H N -0.819 118.359 119.070 0.180 0.000 3.172 65 H HA 0.526 5.082 4.556 -0.000 0.000 0.322 65 H C 0.067 175.566 175.328 0.285 0.000 1.003 65 H CA -0.889 55.316 56.048 0.261 0.000 1.466 65 H CB 0.281 30.158 29.762 0.192 0.000 1.673 65 H HN 0.110 nan 8.280 nan 0.000 0.512 66 I N 3.391 124.258 120.570 0.496 0.000 3.289 66 I HA -0.115 4.055 4.170 -0.000 0.000 0.295 66 I C -0.323 175.966 176.117 0.287 0.000 1.170 66 I CA 0.902 62.419 61.300 0.361 0.000 1.643 66 I CB -0.426 37.717 38.000 0.238 0.000 1.567 66 I HN 0.746 nan 8.210 nan 0.000 0.760 67 D N 5.939 126.546 120.400 0.345 0.000 2.181 67 D HA 0.197 4.837 4.640 -0.000 0.000 0.248 67 D C 0.282 176.820 176.300 0.397 0.000 1.020 67 D CA -0.250 54.011 54.000 0.434 0.000 0.891 67 D CB 1.738 42.750 40.800 0.353 0.000 1.187 67 D HN 0.558 nan 8.370 nan 0.000 0.443 68 T N 0.210 115.071 114.554 0.512 0.000 2.533 68 T HA -0.126 4.224 4.350 -0.000 0.000 0.366 68 T C 0.747 175.723 174.700 0.459 0.000 1.055 68 T CA -0.060 62.340 62.100 0.500 0.000 1.043 68 T CB 0.743 69.832 68.868 0.367 0.000 1.044 68 T HN 0.701 nan 8.240 nan 0.000 0.535 69 W N -0.275 121.214 121.300 0.315 0.000 4.168 69 W HA 0.262 4.922 4.660 -0.000 0.000 0.211 69 W C -0.029 176.664 176.519 0.290 0.000 1.002 69 W CA 0.060 57.587 57.345 0.303 0.000 1.903 69 W CB 0.264 29.944 29.460 0.368 0.000 0.828 69 W HN 0.562 nan 8.180 nan 0.000 0.876 70 E N 1.817 122.395 120.200 0.630 0.000 2.277 70 E HA 0.038 4.388 4.350 -0.000 0.000 0.274 70 E C 1.380 178.136 176.600 0.260 0.000 1.022 70 E CA -0.291 56.399 56.400 0.484 0.000 0.853 70 E CB 0.071 29.969 29.700 0.330 0.000 1.086 70 E HN 0.248 nan 8.360 nan 0.000 0.397 71 W N 3.492 124.945 121.300 0.256 0.000 2.342 71 W HA -0.223 4.437 4.660 -0.000 0.000 0.297 71 W C 0.741 177.341 176.519 0.135 0.000 1.213 71 W CA 1.522 58.965 57.345 0.164 0.000 1.251 71 W CB -0.959 28.587 29.460 0.142 0.000 1.136 71 W HN 0.496 nan 8.180 nan 0.000 0.526 72 N N 0.204 118.356 118.700 -0.913 0.000 2.280 72 N HA -0.059 4.680 4.740 -0.000 0.000 0.192 72 N C 0.730 175.994 175.510 -0.410 0.000 1.109 72 N CA 0.708 53.316 53.050 -0.736 0.000 0.855 72 N CB -0.598 37.154 38.487 -1.226 0.000 0.974 72 N HN -0.215 nan 8.380 nan 0.000 0.482 73 D N 0.728 120.945 120.400 -0.305 0.000 2.191 73 D HA -0.183 4.456 4.640 -0.000 0.000 0.190 73 D C 1.509 177.280 176.300 -0.881 0.000 1.007 73 D CA 1.420 55.211 54.000 -0.348 0.000 0.865 73 D CB -0.143 40.558 40.800 -0.165 0.000 0.929 73 D HN 0.186 nan 8.370 nan 0.000 0.447 74 V N 0.012 119.491 119.914 -0.726 0.000 2.913 74 V HA -0.170 3.950 4.120 -0.000 0.000 0.260 74 V C 2.212 178.103 176.094 -0.338 0.000 1.098 74 V CA 1.856 63.744 62.300 -0.687 0.000 1.121 74 V CB -0.631 31.014 31.823 -0.297 0.000 0.714 74 V HN 0.246 nan 8.190 nan 0.000 0.487 75 T N 0.016 114.416 114.554 -0.257 0.000 2.894 75 T HA 0.028 4.378 4.350 -0.000 0.000 0.258 75 T C 1.821 176.474 174.700 -0.078 0.000 1.043 75 T CA 0.730 62.755 62.100 -0.126 0.000 1.141 75 T CB -0.186 68.617 68.868 -0.108 0.000 0.873 75 T HN 0.209 nan 8.240 nan 0.000 0.449 76 L N 0.522 121.699 121.223 -0.076 0.000 2.093 76 L HA 0.013 4.352 4.340 -0.000 0.000 0.208 76 L C 2.285 179.202 176.870 0.077 0.000 1.085 76 L CA 1.374 56.254 54.840 0.067 0.000 0.755 76 L CB -1.335 40.855 42.059 0.218 0.000 0.904 76 L HN 0.234 nan 8.230 nan 0.000 0.435 77 Y N 0.193 120.353 120.300 -0.233 0.000 2.139 77 Y HA -0.241 4.309 4.550 -0.000 0.000 0.282 77 Y C 2.501 178.222 175.900 -0.299 0.000 1.179 77 Y CA 1.026 58.905 58.100 -0.367 0.000 1.161 77 Y CB -1.580 36.597 38.460 -0.472 0.000 0.970 77 Y HN 0.208 nan 8.280 nan 0.000 0.511 78 G N -0.709 108.081 108.800 -0.017 0.000 2.414 78 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.215 78 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.215 78 G C 1.777 176.651 174.900 -0.043 0.000 1.188 78 G CA 1.033 46.103 45.100 -0.049 0.000 0.783 78 G HN 0.304 nan 8.290 nan 0.000 0.537 79 M N -0.140 119.452 119.600 -0.013 0.000 2.089 79 M HA -0.124 4.356 4.480 -0.000 0.000 0.257 79 M C 2.466 178.746 176.300 -0.033 0.000 1.071 79 M CA 1.375 56.670 55.300 -0.008 0.000 1.096 79 M CB -0.572 32.050 32.600 0.036 0.000 1.330 79 M HN 0.304 nan 8.290 nan 0.000 0.403 80 L N 1.227 122.435 121.223 -0.026 0.000 1.955 80 L HA -0.202 4.138 4.340 -0.000 0.000 0.213 80 L C 2.002 178.839 176.870 -0.055 0.000 1.072 80 L CA 2.005 56.822 54.840 -0.039 0.000 0.755 80 L CB -1.155 40.938 42.059 0.057 0.000 0.888 80 L HN 0.274 nan 8.230 nan 0.000 0.432 81 N N -0.642 118.012 118.700 -0.077 0.000 2.192 81 N HA -0.196 4.544 4.740 -0.000 0.000 0.188 81 N C 1.669 177.129 175.510 -0.082 0.000 1.013 81 N CA 1.877 54.869 53.050 -0.096 0.000 0.863 81 N CB -0.606 37.787 38.487 -0.157 0.000 0.990 81 N HN 0.504 nan 8.380 nan 0.000 0.430 82 T N 1.713 116.222 114.554 -0.074 0.000 2.849 82 T HA -0.025 4.325 4.350 -0.000 0.000 0.270 82 T C 2.006 176.654 174.700 -0.086 0.000 1.066 82 T CA 0.435 62.494 62.100 -0.069 0.000 1.130 82 T CB -0.115 68.720 68.868 -0.056 0.000 0.864 82 T HN 0.207 nan 8.240 nan 0.000 0.481 83 L N 0.367 121.530 121.223 -0.100 0.000 2.353 83 L HA -0.048 4.292 4.340 -0.000 0.000 0.220 83 L C 2.423 179.199 176.870 -0.157 0.000 1.133 83 L CA 1.105 55.859 54.840 -0.142 0.000 0.798 83 L CB -0.380 41.591 42.059 -0.147 0.000 0.922 83 L HN 0.206 nan 8.230 nan 0.000 0.445 84 K N -0.166 120.167 120.400 -0.112 0.000 2.228 84 K HA -0.056 4.264 4.320 -0.000 0.000 0.202 84 K C 1.622 178.172 176.600 -0.083 0.000 1.051 84 K CA 0.913 57.143 56.287 -0.095 0.000 0.960 84 K CB -0.193 32.266 32.500 -0.068 0.000 0.743 84 K HN 0.466 nan 8.250 nan 0.000 0.458 85 N N 0.798 119.450 118.700 -0.079 0.000 2.104 85 N HA -0.187 4.553 4.740 -0.000 0.000 0.190 85 N C 1.906 177.386 175.510 -0.050 0.000 1.024 85 N CA 0.978 53.994 53.050 -0.057 0.000 0.853 85 N CB 0.005 38.461 38.487 -0.052 0.000 1.008 85 N HN 0.119 nan 8.380 nan 0.000 0.424 86 R N 0.335 120.784 120.500 -0.086 0.000 2.206 86 R HA 0.104 4.444 4.340 -0.000 0.000 0.198 86 R C -0.077 176.199 176.300 -0.040 0.000 0.986 86 R CA 0.315 56.383 56.100 -0.053 0.000 1.029 86 R CB 0.362 30.612 30.300 -0.083 0.000 0.966 86 R HN 0.046 nan 8.270 nan 0.000 0.487 87 N N 0.469 119.069 118.700 -0.167 0.000 2.918 87 N HA 0.211 4.951 4.740 -0.000 0.000 0.270 87 N C -2.323 173.158 175.510 -0.049 0.000 1.536 87 N CA -1.924 51.067 53.050 -0.099 0.000 0.877 87 N CB 1.486 39.719 38.487 -0.423 0.000 1.190 87 N HN -0.123 nan 8.380 nan 0.000 0.492 88 P HA -0.064 nan 4.420 nan 0.000 0.226 88 P C -0.439 176.857 177.300 -0.006 0.000 1.146 88 P CA 1.164 64.258 63.100 -0.010 0.000 0.773 88 P CB 0.022 31.725 31.700 0.005 0.000 0.772 89 N N -0.355 118.353 118.700 0.013 0.000 2.451 89 N HA 0.180 4.920 4.740 -0.000 0.000 0.264 89 N C -0.363 175.142 175.510 -0.007 0.000 1.167 89 N CA -0.426 52.632 53.050 0.014 0.000 0.898 89 N CB -0.004 38.509 38.487 0.044 0.000 1.176 89 N HN 0.083 nan 8.380 nan 0.000 0.507 90 L N -1.855 119.341 121.223 -0.046 0.000 2.370 90 L HA 0.663 5.003 4.340 -0.000 0.000 0.266 90 L C -1.069 175.729 176.870 -0.120 0.000 1.002 90 L CA -0.854 53.937 54.840 -0.082 0.000 0.818 90 L CB 1.423 43.433 42.059 -0.082 0.000 1.325 90 L HN -0.182 nan 8.230 nan 0.000 0.418 91 K N 0.652 120.925 120.400 -0.211 0.000 2.395 91 K HA 0.841 5.161 4.320 -0.000 0.000 0.247 91 K C -1.042 175.496 176.600 -0.102 0.000 0.973 91 K CA -0.600 55.575 56.287 -0.188 0.000 0.828 91 K CB 2.284 34.588 32.500 -0.326 0.000 1.272 91 K HN 0.884 nan 8.250 nan 0.000 0.439 92 T N -0.707 113.861 114.554 0.023 0.000 2.886 92 T HA 0.651 5.001 4.350 -0.000 0.000 0.292 92 T C -0.968 173.807 174.700 0.125 0.000 1.012 92 T CA -0.864 61.307 62.100 0.118 0.000 0.982 92 T CB 0.683 69.712 68.868 0.270 0.000 1.018 92 T HN 0.225 nan 8.240 nan 0.000 0.451 93 L N 2.465 123.704 121.223 0.025 0.000 2.341 93 L HA 0.734 5.074 4.340 -0.000 0.000 0.267 93 L C -0.822 175.853 176.870 -0.325 0.000 1.009 93 L CA -1.071 53.732 54.840 -0.062 0.000 0.819 93 L CB 1.941 44.025 42.059 0.041 0.000 1.323 93 L HN 0.676 nan 8.230 nan 0.000 0.425 94 L N 1.133 122.086 121.223 -0.450 0.000 2.287 94 L HA 0.576 4.916 4.340 -0.000 0.000 0.287 94 L C -0.098 176.709 176.870 -0.104 0.000 1.022 94 L CA 0.184 54.685 54.840 -0.566 0.000 0.814 94 L CB 1.400 42.946 42.059 -0.855 0.000 1.217 94 L HN 0.578 nan 8.230 nan 0.000 0.420 95 S N 4.128 119.868 115.700 0.067 0.000 2.475 95 S HA 0.532 5.002 4.470 -0.000 0.000 0.281 95 S C -0.803 174.054 174.600 0.430 0.000 1.198 95 S CA -0.509 57.880 58.200 0.315 0.000 1.063 95 S CB 0.938 64.443 63.200 0.509 0.000 0.972 95 S HN 0.609 nan 8.310 nan 0.000 0.486 96 V N 6.437 126.598 119.914 0.411 0.000 2.334 96 V HA 0.805 4.925 4.120 -0.000 0.000 0.281 96 V C 0.640 176.884 176.094 0.250 0.000 1.016 96 V CA 1.063 63.565 62.300 0.337 0.000 0.832 96 V CB 0.224 32.222 31.823 0.292 0.000 0.999 96 V HN 1.233 nan 8.190 nan 0.000 0.439 97 G N 4.504 113.345 108.800 0.068 0.000 2.011 97 G HA2 0.525 4.485 3.960 -0.000 0.000 0.054 97 G HA3 0.525 4.485 3.960 -0.000 0.000 0.054 97 G C 0.557 175.094 174.900 -0.605 0.000 0.853 97 G CA 0.410 45.384 45.100 -0.209 0.000 1.135 97 G HN 2.242 nan 8.290 nan 0.000 0.372 98 G N -1.562 106.472 108.800 -1.276 0.000 2.655 98 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.680 98 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.680 98 G C 0.625 175.201 174.900 -0.541 0.000 1.302 98 G CA 0.547 44.433 45.100 -2.023 0.000 0.872 98 G HN 1.539 nan 8.290 nan 0.000 0.540 99 W N 0.286 121.280 121.300 -0.510 0.000 2.418 99 W HA -0.049 4.611 4.660 -0.000 0.000 0.292 99 W C 1.969 178.370 176.519 -0.197 0.000 1.213 99 W CA 1.383 58.544 57.345 -0.306 0.000 1.283 99 W CB 0.073 29.384 29.460 -0.248 0.000 1.119 99 W HN 0.547 nan 8.180 nan 0.000 0.542 100 N N 0.510 119.089 118.700 -0.202 0.000 2.376 100 N HA -0.138 4.601 4.740 -0.000 0.000 0.177 100 N C 1.429 176.910 175.510 -0.048 0.000 1.024 100 N CA 0.932 53.861 53.050 -0.202 0.000 0.893 100 N CB -1.094 37.338 38.487 -0.092 0.000 0.980 100 N HN 0.105 nan 8.380 nan 0.000 0.439 101 F N 1.589 121.493 119.950 -0.076 0.000 2.184 101 F HA -0.119 4.408 4.527 -0.000 0.000 0.301 101 F C 1.156 176.895 175.800 -0.102 0.000 1.076 101 F CA 1.429 59.455 58.000 0.042 0.000 1.295 101 F CB -0.234 38.777 39.000 0.019 0.000 1.026 101 F HN 0.133 nan 8.300 nan 0.000 0.494 102 G N -0.701 108.090 108.800 -0.016 0.000 2.907 102 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.686 102 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.686 102 G C 0.445 175.356 174.900 0.018 0.000 1.115 102 G CA -0.296 44.727 45.100 -0.128 0.000 0.760 102 G HN 0.278 nan 8.290 nan 0.000 0.620 103 S N 0.916 116.586 115.700 -0.049 0.000 2.356 103 S HA -0.153 4.317 4.470 -0.000 0.000 0.223 103 S C 2.380 177.047 174.600 0.112 0.000 1.032 103 S CA 1.869 60.118 58.200 0.082 0.000 1.005 103 S CB -0.179 63.033 63.200 0.020 0.000 0.867 103 S HN 0.704 nan 8.310 nan 0.000 0.449 104 Q N 1.067 120.874 119.800 0.013 0.000 2.046 104 Q HA 0.030 4.370 4.340 -0.000 0.000 0.200 104 Q C 2.361 178.338 176.000 -0.038 0.000 0.975 104 Q CA 1.073 56.873 55.803 -0.006 0.000 0.836 104 Q CB -0.435 28.273 28.738 -0.050 0.000 0.896 104 Q HN 0.491 nan 8.270 nan 0.000 0.428 105 R N -0.513 119.931 120.500 -0.094 0.000 2.119 105 R HA -0.184 4.156 4.340 -0.000 0.000 0.246 105 R C 2.183 178.422 176.300 -0.103 0.000 1.146 105 R CA 1.526 57.526 56.100 -0.165 0.000 0.962 105 R CB -0.331 29.721 30.300 -0.412 0.000 0.863 105 R HN 0.148 nan 8.270 nan 0.000 0.442 106 F N 0.082 119.926 119.950 -0.176 0.000 2.128 106 F HA -0.154 4.373 4.527 -0.000 0.000 0.295 106 F C 2.816 178.187 175.800 -0.715 0.000 1.100 106 F CA 1.584 59.204 58.000 -0.633 0.000 1.260 106 F CB -0.723 37.455 39.000 -1.370 0.000 1.009 106 F HN -0.059 nan 8.300 nan 0.000 0.476 107 S N -0.260 115.344 115.700 -0.161 0.000 2.353 107 S HA -0.215 4.255 4.470 -0.000 0.000 0.222 107 S C 2.369 176.995 174.600 0.044 0.000 1.035 107 S CA 1.326 59.585 58.200 0.098 0.000 1.025 107 S CB -0.338 63.001 63.200 0.231 0.000 0.902 107 S HN 0.128 nan 8.310 nan 0.000 0.440 108 K N 0.821 121.217 120.400 -0.006 0.000 2.147 108 K HA 0.052 4.371 4.320 -0.000 0.000 0.205 108 K C 1.956 178.539 176.600 -0.027 0.000 1.049 108 K CA 1.198 57.477 56.287 -0.013 0.000 0.936 108 K CB -0.493 31.979 32.500 -0.046 0.000 0.722 108 K HN 0.532 nan 8.250 nan 0.000 0.446 109 I N -0.182 120.335 120.570 -0.089 0.000 2.716 109 I HA -0.137 4.033 4.170 -0.000 0.000 0.259 109 I C 1.938 178.031 176.117 -0.041 0.000 1.172 109 I CA 0.662 61.889 61.300 -0.122 0.000 1.478 109 I CB -0.039 37.792 38.000 -0.282 0.000 1.104 109 I HN -0.006 nan 8.210 nan 0.000 0.439 110 A N 0.178 123.012 122.820 0.022 0.000 2.169 110 A HA -0.016 4.303 4.320 -0.000 0.000 0.210 110 A C 2.319 180.072 177.584 0.282 0.000 1.168 110 A CA 0.811 52.950 52.037 0.169 0.000 0.813 110 A CB -0.245 18.896 19.000 0.236 0.000 0.861 110 A HN 0.415 nan 8.150 nan 0.000 0.481 111 S N 0.449 116.326 115.700 0.296 0.000 2.414 111 S HA -0.057 4.413 4.470 -0.000 0.000 0.227 111 S C 0.937 175.664 174.600 0.212 0.000 1.022 111 S CA 0.510 58.964 58.200 0.424 0.000 0.958 111 S CB -0.534 62.847 63.200 0.301 0.000 0.797 111 S HN 0.471 nan 8.310 nan 0.000 0.493 112 N N 2.374 121.152 118.700 0.130 0.000 2.399 112 N HA 0.129 4.869 4.740 -0.000 0.000 0.259 112 N C 0.535 176.090 175.510 0.075 0.000 1.160 112 N CA 0.357 53.456 53.050 0.082 0.000 0.946 112 N CB 0.582 39.100 38.487 0.052 0.000 1.156 112 N HN 0.245 nan 8.380 nan 0.000 0.489 113 T N 3.391 117.981 114.554 0.060 0.000 2.718 113 T HA -0.271 4.079 4.350 -0.000 0.000 0.266 113 T C 1.498 176.233 174.700 0.059 0.000 1.033 113 T CA 1.757 63.887 62.100 0.049 0.000 1.151 113 T CB 0.071 68.957 68.868 0.031 0.000 0.853 113 T HN 0.652 nan 8.240 nan 0.000 0.466 114 Q N 0.523 120.356 119.800 0.055 0.000 2.033 114 Q HA 0.024 4.364 4.340 -0.000 0.000 0.196 114 Q C 2.799 178.840 176.000 0.070 0.000 0.970 114 Q CA 1.306 57.144 55.803 0.057 0.000 0.828 114 Q CB -0.282 28.484 28.738 0.047 0.000 0.895 114 Q HN 0.381 nan 8.270 nan 0.000 0.440 115 S N 1.112 116.847 115.700 0.059 0.000 2.387 115 S HA -0.223 4.247 4.470 -0.000 0.000 0.230 115 S C 1.810 176.464 174.600 0.091 0.000 1.035 115 S CA 1.546 59.776 58.200 0.049 0.000 1.014 115 S CB -0.259 62.948 63.200 0.012 0.000 0.836 115 S HN 0.319 nan 8.310 nan 0.000 0.466 116 R N 1.401 121.970 120.500 0.115 0.000 2.082 116 R HA -0.139 4.201 4.340 -0.000 0.000 0.228 116 R C 2.371 178.791 176.300 0.201 0.000 1.140 116 R CA 1.753 57.961 56.100 0.180 0.000 0.920 116 R CB -0.384 30.010 30.300 0.157 0.000 0.828 116 R HN 0.129 nan 8.270 nan 0.000 0.430 117 R N 0.491 121.073 120.500 0.137 0.000 2.189 117 R HA -0.196 4.144 4.340 -0.000 0.000 0.252 117 R C 2.017 178.400 176.300 0.138 0.000 1.134 117 R CA 2.938 59.109 56.100 0.117 0.000 0.954 117 R CB -1.310 29.041 30.300 0.086 0.000 0.890 117 R HN 0.509 nan 8.270 nan 0.000 0.443 118 T N 0.640 115.285 114.554 0.153 0.000 2.635 118 T HA -0.191 4.159 4.350 -0.000 0.000 0.267 118 T C 1.501 176.342 174.700 0.235 0.000 1.040 118 T CA 1.585 63.791 62.100 0.177 0.000 1.156 118 T CB -0.609 68.368 68.868 0.183 0.000 0.863 118 T HN 0.288 nan 8.240 nan 0.000 0.430 119 F N 1.897 121.897 119.950 0.084 0.000 2.026 119 F HA -0.081 4.446 4.527 -0.000 0.000 0.296 119 F C 2.131 178.002 175.800 0.118 0.000 1.133 119 F CA 0.738 58.790 58.000 0.088 0.000 1.188 119 F CB -0.873 38.159 39.000 0.053 0.000 0.968 119 F HN 0.086 nan 8.300 nan 0.000 0.476 120 I N 0.347 120.930 120.570 0.022 0.000 2.113 120 I HA -0.409 3.761 4.170 -0.000 0.000 0.242 120 I C 2.586 178.696 176.117 -0.011 0.000 1.064 120 I CA 2.155 63.418 61.300 -0.062 0.000 1.320 120 I CB -0.698 37.334 38.000 0.054 0.000 1.028 120 I HN 0.178 nan 8.210 nan 0.000 0.406 121 K N 0.903 121.333 120.400 0.050 0.000 2.209 121 K HA -0.156 4.164 4.320 -0.000 0.000 0.204 121 K C 2.072 178.707 176.600 0.058 0.000 1.048 121 K CA 1.688 58.010 56.287 0.058 0.000 0.940 121 K CB 0.008 32.553 32.500 0.075 0.000 0.729 121 K HN 0.423 nan 8.250 nan 0.000 0.451 122 S N -0.744 115.003 115.700 0.079 0.000 2.558 122 S HA 0.002 4.472 4.470 -0.000 0.000 0.217 122 S C 1.724 176.394 174.600 0.117 0.000 0.975 122 S CA 0.275 58.556 58.200 0.135 0.000 0.912 122 S CB 0.206 63.551 63.200 0.242 0.000 0.776 122 S HN 0.053 nan 8.310 nan 0.000 0.526 123 V N 2.826 122.725 119.914 -0.025 0.000 2.255 123 V HA 0.004 4.124 4.120 -0.000 0.000 0.243 123 V C -0.367 175.726 176.094 -0.001 0.000 1.038 123 V CA 1.286 63.553 62.300 -0.054 0.000 1.008 123 V CB -1.806 29.925 31.823 -0.154 0.000 0.645 123 V HN 0.328 nan 8.190 nan 0.000 0.449 124 P HA -0.148 nan 4.420 nan 0.000 0.213 124 P C -1.223 176.066 177.300 -0.019 0.000 1.176 124 P CA 2.322 65.306 63.100 -0.194 0.000 0.919 124 P CB -1.536 30.008 31.700 -0.260 0.000 0.791 125 P HA -0.240 nan 4.420 nan 0.000 0.217 125 P C 1.618 178.990 177.300 0.119 0.000 1.151 125 P CA 1.514 64.641 63.100 0.046 0.000 0.849 125 P CB -0.544 31.183 31.700 0.046 0.000 0.787 126 F N 0.758 120.751 119.950 0.073 0.000 2.075 126 F HA -0.151 4.376 4.527 -0.000 0.000 0.297 126 F C 2.409 178.362 175.800 0.255 0.000 1.113 126 F CA 1.400 59.519 58.000 0.198 0.000 1.218 126 F CB -1.175 37.962 39.000 0.229 0.000 0.984 126 F HN -0.280 nan 8.300 nan 0.000 0.472 127 L N -0.382 121.172 121.223 0.551 0.000 1.994 127 L HA -0.207 4.133 4.340 -0.000 0.000 0.208 127 L C 2.720 179.727 176.870 0.228 0.000 1.071 127 L CA 1.071 56.177 54.840 0.444 0.000 0.745 127 L CB -0.773 41.431 42.059 0.241 0.000 0.892 127 L HN -0.038 nan 8.230 nan 0.000 0.431 128 R N -0.516 120.041 120.500 0.096 0.000 2.117 128 R HA -0.173 4.167 4.340 -0.000 0.000 0.243 128 R C 2.246 178.521 176.300 -0.043 0.000 1.143 128 R CA 1.817 57.922 56.100 0.008 0.000 0.968 128 R CB -1.295 28.990 30.300 -0.026 0.000 0.863 128 R HN 0.281 nan 8.270 nan 0.000 0.444 129 T N -0.186 114.315 114.554 -0.088 0.000 3.055 129 T HA -0.045 4.304 4.350 -0.000 0.000 0.265 129 T C 0.708 175.161 174.700 -0.412 0.000 1.111 129 T CA 0.683 62.626 62.100 -0.262 0.000 1.118 129 T CB -0.024 68.630 68.868 -0.357 0.000 0.909 129 T HN 0.277 nan 8.240 nan 0.000 0.501 130 H N -0.774 118.260 119.070 -0.060 0.000 2.512 130 H HA 0.354 4.910 4.556 -0.000 0.000 0.276 130 H C 1.685 176.799 175.328 -0.357 0.000 1.126 130 H CA 0.325 56.289 56.048 -0.140 0.000 1.060 130 H CB 0.329 30.097 29.762 0.011 0.000 1.646 130 H HN 0.453 nan 8.280 nan 0.000 0.571 131 G N 1.073 109.788 108.800 -0.141 0.000 2.175 131 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.265 131 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.265 131 G C -0.087 174.733 174.900 -0.133 0.000 0.979 131 G CA 0.046 45.045 45.100 -0.167 0.000 0.663 131 G HN 0.172 nan 8.290 nan 0.000 0.533 132 F N 1.499 121.463 119.950 0.022 0.000 2.427 132 F HA 0.368 4.895 4.527 -0.000 0.000 0.352 132 F C 1.153 176.952 175.800 -0.002 0.000 1.100 132 F CA -1.362 56.633 58.000 -0.008 0.000 1.191 132 F CB 1.004 39.987 39.000 -0.028 0.000 1.128 132 F HN 0.007 nan 8.300 nan 0.000 0.533 133 D N 2.112 122.646 120.400 0.225 0.000 2.325 133 D HA 0.283 4.923 4.640 -0.000 0.000 0.234 133 D C 0.954 177.324 176.300 0.118 0.000 1.122 133 D CA 0.400 54.472 54.000 0.120 0.000 0.850 133 D CB 0.321 41.169 40.800 0.080 0.000 0.921 133 D HN 0.694 nan 8.370 nan 0.000 0.513 134 G N 0.175 109.052 108.800 0.129 0.000 2.337 134 G HA2 0.257 4.216 3.960 -0.000 0.000 0.298 134 G HA3 0.257 4.216 3.960 -0.000 0.000 0.298 134 G C -2.108 172.882 174.900 0.150 0.000 1.335 134 G CA -0.932 44.272 45.100 0.174 0.000 0.875 134 G HN 0.077 nan 8.290 nan 0.000 0.579 135 L N -0.075 121.300 121.223 0.253 0.000 2.332 135 L HA 0.953 5.293 4.340 -0.000 0.000 0.269 135 L C -0.843 176.073 176.870 0.077 0.000 1.016 135 L CA -0.615 54.322 54.840 0.162 0.000 0.809 135 L CB 2.162 44.383 42.059 0.269 0.000 1.280 135 L HN 0.829 nan 8.230 nan 0.000 0.447 136 D N 1.419 121.885 120.400 0.110 0.000 2.936 136 D HA 0.388 5.028 4.640 -0.000 0.000 0.238 136 D C -1.742 174.707 176.300 0.249 0.000 1.248 136 D CA -0.253 53.835 54.000 0.146 0.000 0.903 136 D CB 1.123 42.048 40.800 0.208 0.000 1.544 136 D HN 0.506 nan 8.370 nan 0.000 0.543 137 L N 3.011 124.381 121.223 0.245 0.000 2.264 137 L HA 0.682 5.022 4.340 -0.000 0.000 0.287 137 L C -0.103 176.969 176.870 0.336 0.000 1.039 137 L CA -0.953 54.078 54.840 0.318 0.000 0.829 137 L CB 1.517 43.761 42.059 0.310 0.000 1.211 137 L HN 0.576 nan 8.230 nan 0.000 0.427 138 A N 4.400 127.416 122.820 0.326 0.000 2.937 138 A HA 0.228 4.548 4.320 -0.000 0.000 0.338 138 A C -0.933 176.713 177.584 0.103 0.000 1.273 138 A CA -0.389 51.792 52.037 0.240 0.000 0.937 138 A CB -0.041 19.128 19.000 0.281 0.000 1.133 138 A HN 0.724 nan 8.150 nan 0.000 0.491 139 W N 4.824 125.967 121.300 -0.261 0.000 2.295 139 W HA 0.543 5.202 4.660 -0.000 0.000 0.333 139 W C -1.573 174.792 176.519 -0.256 0.000 0.990 139 W CA -1.359 55.642 57.345 -0.574 0.000 1.453 139 W CB 0.478 29.378 29.460 -0.933 0.000 1.263 139 W HN 0.406 nan 8.180 nan 0.000 0.380 140 L N 8.432 129.733 121.223 0.130 0.000 2.335 140 L HA 0.340 4.680 4.340 -0.000 0.000 0.268 140 L C -0.938 175.783 176.870 -0.247 0.000 1.037 140 L CA -0.582 54.094 54.840 -0.274 0.000 0.895 140 L CB -0.171 41.637 42.059 -0.418 0.000 1.266 140 L HN 0.172 nan 8.230 nan 0.000 0.439 141 Y N 1.876 122.224 120.300 0.079 0.000 2.705 141 Y HA 0.579 5.129 4.550 -0.000 0.000 0.332 141 Y C -2.487 173.168 175.900 -0.408 0.000 1.157 141 Y CA -2.889 55.104 58.100 -0.179 0.000 1.091 141 Y CB 1.188 39.512 38.460 -0.227 0.000 1.301 141 Y HN 0.245 nan 8.280 nan 0.000 0.488 142 P HA 0.261 nan 4.420 nan 0.000 0.292 142 P C 0.107 177.110 177.300 -0.495 0.000 1.326 142 P CA -0.169 62.351 63.100 -0.966 0.000 0.787 142 P CB 0.855 31.573 31.700 -1.637 0.000 0.903 143 G N 3.035 111.690 108.800 -0.242 0.000 2.466 143 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.279 143 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.279 143 G C 1.014 175.785 174.900 -0.215 0.000 1.410 143 G CA -0.164 44.829 45.100 -0.178 0.000 1.065 143 G HN 0.333 nan 8.290 nan 0.000 0.547 144 R N -0.598 119.812 120.500 -0.150 0.000 2.115 144 R HA 0.000 4.340 4.340 -0.000 0.000 0.226 144 R C 2.456 178.690 176.300 -0.110 0.000 1.100 144 R CA 1.186 57.208 56.100 -0.130 0.000 0.980 144 R CB -0.143 30.104 30.300 -0.088 0.000 0.875 144 R HN 0.598 nan 8.270 nan 0.000 0.445 145 R N 0.197 120.636 120.500 -0.103 0.000 2.386 145 R HA 0.052 4.392 4.340 -0.000 0.000 0.216 145 R C -0.246 175.935 176.300 -0.198 0.000 1.119 145 R CA 0.880 56.919 56.100 -0.102 0.000 1.158 145 R CB 0.036 30.289 30.300 -0.079 0.000 1.057 145 R HN 0.119 nan 8.270 nan 0.000 0.489 146 D N -0.122 120.162 120.400 -0.194 0.000 2.497 146 D HA -0.005 4.635 4.640 -0.000 0.000 0.256 146 D C 0.684 176.905 176.300 -0.132 0.000 1.273 146 D CA -0.198 53.666 54.000 -0.227 0.000 0.812 146 D CB 0.342 41.001 40.800 -0.236 0.000 1.190 146 D HN 0.192 nan 8.370 nan 0.000 0.524 147 K N 1.317 121.654 120.400 -0.105 0.000 1.977 147 K HA -0.250 4.070 4.320 -0.000 0.000 0.218 147 K C 1.935 178.602 176.600 0.111 0.000 1.051 147 K CA 1.670 57.929 56.287 -0.047 0.000 0.953 147 K CB 0.259 32.735 32.500 -0.040 0.000 0.727 147 K HN -0.170 nan 8.250 nan 0.000 0.445 148 Q N -0.260 119.633 119.800 0.156 0.000 2.030 148 Q HA -0.188 4.152 4.340 -0.000 0.000 0.204 148 Q C 1.965 178.094 176.000 0.214 0.000 0.986 148 Q CA 2.236 58.136 55.803 0.162 0.000 0.843 148 Q CB -0.402 28.412 28.738 0.126 0.000 0.904 148 Q HN 0.473 nan 8.270 nan 0.000 0.420 149 H N -1.136 118.006 119.070 0.119 0.000 2.292 149 H HA -0.204 4.352 4.556 -0.000 0.000 0.292 149 H C 1.547 177.025 175.328 0.250 0.000 1.100 149 H CA 1.748 57.912 56.048 0.194 0.000 1.238 149 H CB -0.758 29.173 29.762 0.283 0.000 1.355 149 H HN 0.256 nan 8.280 nan 0.000 0.484 150 F N 1.299 121.360 119.950 0.186 0.000 2.065 150 F HA -0.298 4.229 4.527 -0.000 0.000 0.298 150 F C 2.445 178.292 175.800 0.079 0.000 1.112 150 F CA 2.105 60.153 58.000 0.079 0.000 1.212 150 F CB -0.954 37.898 39.000 -0.246 0.000 0.975 150 F HN 0.090 nan 8.300 nan 0.000 0.476 151 T N -0.335 114.244 114.554 0.042 0.000 2.665 151 T HA -0.242 4.108 4.350 -0.000 0.000 0.268 151 T C 1.891 176.513 174.700 -0.129 0.000 1.035 151 T CA 2.306 64.365 62.100 -0.069 0.000 1.151 151 T CB -0.758 68.129 68.868 0.032 0.000 0.862 151 T HN 0.349 nan 8.240 nan 0.000 0.438 152 T N 2.459 116.985 114.554 -0.047 0.000 2.614 152 T HA -0.084 4.266 4.350 -0.000 0.000 0.263 152 T C 1.899 176.547 174.700 -0.086 0.000 1.055 152 T CA 1.260 63.319 62.100 -0.067 0.000 1.162 152 T CB -0.689 68.165 68.868 -0.023 0.000 0.863 152 T HN 0.166 nan 8.240 nan 0.000 0.414 153 L N 1.233 122.462 121.223 0.010 0.000 2.034 153 L HA -0.153 4.187 4.340 -0.000 0.000 0.217 153 L C 2.159 178.970 176.870 -0.099 0.000 1.077 153 L CA 1.737 56.606 54.840 0.049 0.000 0.769 153 L CB -0.836 41.364 42.059 0.235 0.000 0.890 153 L HN 0.349 nan 8.230 nan 0.000 0.435 154 I N -1.078 119.336 120.570 -0.259 0.000 2.315 154 I HA -0.274 3.896 4.170 -0.000 0.000 0.248 154 I C 2.545 178.428 176.117 -0.389 0.000 1.117 154 I CA 1.334 62.432 61.300 -0.336 0.000 1.404 154 I CB -0.427 37.316 38.000 -0.429 0.000 1.071 154 I HN 0.373 nan 8.210 nan 0.000 0.419 155 K N 1.547 121.650 120.400 -0.494 0.000 1.963 155 K HA -0.224 4.096 4.320 -0.000 0.000 0.216 155 K C 1.967 178.349 176.600 -0.364 0.000 1.045 155 K CA 1.892 57.739 56.287 -0.734 0.000 0.954 155 K CB -0.143 32.029 32.500 -0.548 0.000 0.732 155 K HN 0.224 nan 8.250 nan 0.000 0.442 156 E N 0.226 120.303 120.200 -0.206 0.000 2.130 156 E HA -0.260 4.090 4.350 -0.000 0.000 0.196 156 E C 1.966 178.513 176.600 -0.089 0.000 0.998 156 E CA 1.597 57.937 56.400 -0.100 0.000 0.806 156 E CB -0.176 29.500 29.700 -0.040 0.000 0.738 156 E HN 0.297 nan 8.360 nan 0.000 0.459 157 M N 1.389 120.907 119.600 -0.137 0.000 2.108 157 M HA -0.189 4.291 4.480 -0.000 0.000 0.261 157 M C 2.015 178.125 176.300 -0.317 0.000 1.066 157 M CA 1.746 56.940 55.300 -0.177 0.000 1.107 157 M CB -0.043 32.418 32.600 -0.231 0.000 1.356 157 M HN -0.169 nan 8.290 nan 0.000 0.406 158 K N -0.654 119.547 120.400 -0.331 0.000 2.155 158 K HA -0.019 4.300 4.320 -0.000 0.000 0.203 158 K C 1.828 178.400 176.600 -0.048 0.000 1.052 158 K CA 1.098 57.208 56.287 -0.295 0.000 0.948 158 K CB -0.219 32.190 32.500 -0.152 0.000 0.728 158 K HN 0.391 nan 8.250 nan 0.000 0.448 159 A N 1.460 124.263 122.820 -0.027 0.000 1.873 159 A HA -0.270 4.050 4.320 -0.000 0.000 0.218 159 A C 2.021 179.661 177.584 0.094 0.000 1.193 159 A CA 2.193 54.250 52.037 0.034 0.000 0.629 159 A CB -0.780 18.226 19.000 0.010 0.000 0.826 159 A HN 0.501 nan 8.150 nan 0.000 0.447 160 E N -0.745 119.532 120.200 0.128 0.000 2.085 160 E HA -0.173 4.177 4.350 -0.000 0.000 0.194 160 E C 1.534 178.293 176.600 0.265 0.000 0.994 160 E CA 1.403 57.912 56.400 0.181 0.000 0.801 160 E CB -0.486 29.333 29.700 0.198 0.000 0.743 160 E HN 0.527 nan 8.360 nan 0.000 0.453 161 F N 0.334 120.279 119.950 -0.007 0.000 2.250 161 F HA -0.091 4.436 4.527 -0.000 0.000 0.301 161 F C 2.035 177.840 175.800 0.009 0.000 1.077 161 F CA 0.866 58.866 58.000 -0.000 0.000 1.348 161 F CB -0.403 38.595 39.000 -0.003 0.000 1.040 161 F HN 0.125 nan 8.300 nan 0.000 0.509 162 I N -0.555 120.136 120.570 0.202 0.000 2.333 162 I HA -0.225 3.945 4.170 -0.000 0.000 0.246 162 I C 2.458 178.621 176.117 0.076 0.000 1.106 162 I CA 0.934 62.304 61.300 0.115 0.000 1.411 162 I CB -0.599 37.455 38.000 0.089 0.000 1.082 162 I HN 0.005 nan 8.210 nan 0.000 0.420 163 K N 1.662 122.107 120.400 0.074 0.000 2.001 163 K HA -0.295 4.024 4.320 -0.000 0.000 0.214 163 K C 2.230 178.848 176.600 0.031 0.000 1.050 163 K CA 2.084 58.400 56.287 0.048 0.000 0.934 163 K CB -0.296 32.233 32.500 0.050 0.000 0.718 163 K HN 0.185 nan 8.250 nan 0.000 0.443 164 E N 0.284 120.497 120.200 0.022 0.000 2.209 164 E HA -0.180 4.170 4.350 -0.000 0.000 0.196 164 E C 1.277 177.872 176.600 -0.009 0.000 0.993 164 E CA 1.389 57.783 56.400 -0.009 0.000 0.819 164 E CB -0.044 29.622 29.700 -0.056 0.000 0.745 164 E HN 0.479 nan 8.360 nan 0.000 0.477 165 A N 0.959 123.784 122.820 0.009 0.000 2.275 165 A HA -0.032 4.288 4.320 -0.000 0.000 0.212 165 A C 1.872 179.467 177.584 0.019 0.000 1.201 165 A CA 0.397 52.441 52.037 0.012 0.000 0.843 165 A CB -0.274 18.742 19.000 0.027 0.000 0.873 165 A HN 0.398 nan 8.150 nan 0.000 0.492 166 Q N 0.030 119.843 119.800 0.021 0.000 2.437 166 Q HA -0.056 4.284 4.340 -0.000 0.000 0.210 166 Q C -0.880 175.128 176.000 0.013 0.000 0.972 166 Q CA 1.088 56.903 55.803 0.020 0.000 0.903 166 Q CB -1.391 27.360 28.738 0.022 0.000 0.967 166 Q HN 0.415 nan 8.270 nan 0.000 0.486 167 P HA -0.023 nan 4.420 nan 0.000 0.214 167 P C 0.795 178.098 177.300 0.005 0.000 1.162 167 P CA 2.087 65.190 63.100 0.005 0.000 0.879 167 P CB -0.136 31.564 31.700 0.000 0.000 0.786 168 G N -2.541 106.262 108.800 0.005 0.000 4.511 168 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.220 168 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.220 168 G C -0.311 174.592 174.900 0.005 0.000 0.733 168 G CA -0.541 44.563 45.100 0.006 0.000 0.897 168 G HN 0.330 nan 8.290 nan 0.000 0.691 169 K N 0.929 121.330 120.400 0.003 0.000 2.258 169 K HA 0.513 4.833 4.320 -0.000 0.000 0.264 169 K C -0.168 176.437 176.600 0.008 0.000 1.007 169 K CA -0.546 55.742 56.287 0.000 0.000 0.941 169 K CB 1.165 33.660 32.500 -0.008 0.000 0.966 169 K HN -0.133 nan 8.250 nan 0.000 0.480 170 K N 3.059 123.464 120.400 0.008 0.000 2.402 170 K HA -0.043 4.277 4.320 -0.000 0.000 0.285 170 K C -0.169 176.446 176.600 0.024 0.000 1.054 170 K CA 0.392 56.690 56.287 0.018 0.000 1.001 170 K CB 0.580 33.090 32.500 0.016 0.000 0.946 170 K HN 0.683 nan 8.250 nan 0.000 0.473 171 Q N 3.467 123.291 119.800 0.041 0.000 2.414 171 Q HA -0.019 4.321 4.340 -0.000 0.000 0.288 171 Q C -0.434 175.616 176.000 0.083 0.000 1.086 171 Q CA 0.129 55.969 55.803 0.063 0.000 0.943 171 Q CB 0.532 29.323 28.738 0.090 0.000 1.282 171 Q HN 0.485 nan 8.270 nan 0.000 0.438 172 L N 4.309 125.591 121.223 0.099 0.000 2.305 172 L HA 0.256 4.596 4.340 -0.000 0.000 0.281 172 L C -0.063 177.037 176.870 0.383 0.000 1.085 172 L CA -0.402 54.520 54.840 0.137 0.000 0.813 172 L CB 0.430 42.346 42.059 -0.238 0.000 1.157 172 L HN 0.583 nan 8.230 nan 0.000 0.436 173 L N 3.597 124.981 121.223 0.269 0.000 2.466 173 L HA 0.339 4.679 4.340 -0.000 0.000 0.257 173 L C -0.367 176.595 176.870 0.154 0.000 1.189 173 L CA -0.300 54.653 54.840 0.187 0.000 0.813 173 L CB 0.993 43.139 42.059 0.146 0.000 1.118 173 L HN 0.416 nan 8.230 nan 0.000 0.471 174 L N 1.756 122.932 121.223 -0.079 0.000 2.573 174 L HA 0.360 4.700 4.340 -0.000 0.000 0.260 174 L C -0.218 176.453 176.870 -0.331 0.000 0.997 174 L CA 0.111 54.817 54.840 -0.223 0.000 0.890 174 L CB 1.323 43.118 42.059 -0.440 0.000 1.179 174 L HN 0.665 nan 8.230 nan 0.000 0.439 175 S N 3.211 118.658 115.700 -0.422 0.000 2.767 175 S HA 1.028 5.498 4.470 -0.000 0.000 0.300 175 S C -0.309 174.175 174.600 -0.193 0.000 1.123 175 S CA -0.127 57.698 58.200 -0.626 0.000 0.992 175 S CB 2.067 64.418 63.200 -1.415 0.000 1.138 175 S HN 1.209 nan 8.310 nan 0.000 0.550 176 A N -0.040 122.747 122.820 -0.055 0.000 2.517 176 A HA 0.802 5.122 4.320 -0.000 0.000 0.297 176 A C -0.491 177.230 177.584 0.228 0.000 1.050 176 A CA -0.472 51.650 52.037 0.141 0.000 0.694 176 A CB 1.058 20.149 19.000 0.153 0.000 1.277 176 A HN 1.642 nan 8.150 nan 0.000 0.400 177 A N 2.291 125.291 122.820 0.300 0.000 2.289 177 A HA 0.740 5.060 4.320 -0.000 0.000 0.298 177 A C -0.460 177.241 177.584 0.195 0.000 1.208 177 A CA -0.148 52.063 52.037 0.289 0.000 0.845 177 A CB -0.103 19.101 19.000 0.341 0.000 1.125 177 A HN 0.923 nan 8.150 nan 0.000 0.517 178 L N 1.624 122.898 121.223 0.085 0.000 2.371 178 L HA 0.521 4.861 4.340 -0.000 0.000 0.262 178 L C 0.627 177.487 176.870 -0.016 0.000 1.006 178 L CA -0.859 53.968 54.840 -0.022 0.000 0.818 178 L CB 2.021 43.809 42.059 -0.451 0.000 1.354 178 L HN 0.674 nan 8.230 nan 0.000 0.415 179 S N 0.576 116.310 115.700 0.057 0.000 2.558 179 S HA 0.251 4.721 4.470 -0.000 0.000 0.288 179 S C 0.875 175.439 174.600 -0.059 0.000 1.318 179 S CA 0.300 58.453 58.200 -0.078 0.000 1.056 179 S CB 1.136 64.084 63.200 -0.421 0.000 0.853 179 S HN 0.738 nan 8.310 nan 0.000 0.505 180 A N 3.936 126.704 122.820 -0.086 0.000 2.308 180 A HA 0.432 4.752 4.320 -0.000 0.000 0.217 180 A C 1.044 178.728 177.584 0.167 0.000 1.216 180 A CA 0.283 52.342 52.037 0.036 0.000 0.864 180 A CB -0.430 18.571 19.000 0.002 0.000 0.902 180 A HN 0.958 nan 8.150 nan 0.000 0.499 181 G N -0.172 108.668 108.800 0.067 0.000 2.339 181 G HA2 0.348 4.308 3.960 -0.000 0.000 0.287 181 G HA3 0.348 4.308 3.960 -0.000 0.000 0.287 181 G C 0.637 175.509 174.900 -0.048 0.000 1.163 181 G CA -0.136 45.008 45.100 0.075 0.000 0.872 181 G HN 0.354 nan 8.290 nan 0.000 0.464 182 K N 1.984 122.272 120.400 -0.187 0.000 1.980 182 K HA -0.196 4.124 4.320 -0.000 0.000 0.223 182 K C 2.534 178.975 176.600 -0.265 0.000 1.052 182 K CA 2.096 58.148 56.287 -0.392 0.000 0.974 182 K CB -0.405 31.505 32.500 -0.983 0.000 0.734 182 K HN 0.309 nan 8.250 nan 0.000 0.447 183 V N 1.105 120.843 119.914 -0.292 0.000 2.277 183 V HA -0.363 3.757 4.120 -0.000 0.000 0.255 183 V C 2.354 178.348 176.094 -0.168 0.000 1.074 183 V CA 2.571 64.756 62.300 -0.192 0.000 1.058 183 V CB -1.003 30.739 31.823 -0.136 0.000 0.656 183 V HN 0.556 nan 8.190 nan 0.000 0.449 184 T N -0.206 114.233 114.554 -0.192 0.000 2.777 184 T HA -0.040 4.310 4.350 -0.000 0.000 0.266 184 T C 1.790 176.318 174.700 -0.286 0.000 1.040 184 T CA 1.670 63.592 62.100 -0.298 0.000 1.141 184 T CB -0.245 68.343 68.868 -0.467 0.000 0.868 184 T HN 0.376 nan 8.240 nan 0.000 0.444 185 I N 1.397 121.934 120.570 -0.056 0.000 2.142 185 I HA -0.199 3.970 4.170 -0.000 0.000 0.240 185 I C 2.404 178.570 176.117 0.082 0.000 1.078 185 I CA 1.289 62.725 61.300 0.227 0.000 1.343 185 I CB -0.426 37.782 38.000 0.346 0.000 1.046 185 I HN 0.172 nan 8.210 nan 0.000 0.405 186 D N 0.871 121.299 120.400 0.047 0.000 2.087 186 D HA -0.176 4.464 4.640 -0.000 0.000 0.192 186 D C 2.155 178.415 176.300 -0.066 0.000 0.993 186 D CA 2.052 56.066 54.000 0.024 0.000 0.828 186 D CB -0.451 40.353 40.800 0.008 0.000 0.968 186 D HN 0.343 nan 8.370 nan 0.000 0.448 187 S N -0.377 115.245 115.700 -0.130 0.000 2.723 187 S HA -0.008 4.462 4.470 -0.000 0.000 0.231 187 S C 0.879 175.320 174.600 -0.265 0.000 0.967 187 S CA 0.822 58.921 58.200 -0.168 0.000 0.958 187 S CB -0.314 62.784 63.200 -0.170 0.000 0.778 187 S HN 0.201 nan 8.310 nan 0.000 0.537 188 S N -1.899 113.598 115.700 -0.339 0.000 2.843 188 S HA 0.251 4.721 4.470 -0.000 0.000 0.194 188 S C -0.896 173.371 174.600 -0.555 0.000 0.785 188 S CA -0.696 57.189 58.200 -0.526 0.000 1.333 188 S CB -0.767 61.949 63.200 -0.807 0.000 1.290 188 S HN 0.352 nan 8.310 nan 0.000 0.563 189 Y N 1.535 121.786 120.300 -0.081 0.000 2.315 189 Y HA 0.532 5.082 4.550 -0.000 0.000 0.324 189 Y C -0.613 175.300 175.900 0.022 0.000 1.062 189 Y CA -1.392 56.706 58.100 -0.003 0.000 1.159 189 Y CB 1.396 39.846 38.460 -0.016 0.000 1.145 189 Y HN 0.199 nan 8.280 nan 0.000 0.442 190 D N 4.950 125.485 120.400 0.224 0.000 2.631 190 D HA 0.137 4.776 4.640 -0.000 0.000 0.227 190 D C 1.254 177.613 176.300 0.097 0.000 1.146 190 D CA 0.160 54.233 54.000 0.121 0.000 1.009 190 D CB 0.312 41.169 40.800 0.096 0.000 1.057 190 D HN 0.466 nan 8.370 nan 0.000 0.509 191 I N 1.351 121.965 120.570 0.073 0.000 2.236 191 I HA -0.331 3.839 4.170 -0.000 0.000 0.249 191 I C 2.395 178.509 176.117 -0.005 0.000 1.102 191 I CA 0.899 62.206 61.300 0.012 0.000 1.365 191 I CB -1.466 36.511 38.000 -0.039 0.000 1.051 191 I HN 0.244 nan 8.210 nan 0.000 0.420 192 A N 1.041 123.856 122.820 -0.008 0.000 1.883 192 A HA -0.240 4.080 4.320 -0.000 0.000 0.217 192 A C 2.419 179.995 177.584 -0.013 0.000 1.186 192 A CA 1.976 54.002 52.037 -0.018 0.000 0.624 192 A CB -0.439 18.552 19.000 -0.015 0.000 0.822 192 A HN 0.446 nan 8.150 nan 0.000 0.444 193 K N -0.318 120.092 120.400 0.017 0.000 2.017 193 K HA 0.046 4.366 4.320 -0.000 0.000 0.207 193 K C 2.045 178.692 176.600 0.079 0.000 1.035 193 K CA 1.191 57.503 56.287 0.043 0.000 0.947 193 K CB -0.616 31.933 32.500 0.082 0.000 0.749 193 K HN 0.668 nan 8.250 nan 0.000 0.443 194 I N -0.024 120.601 120.570 0.092 0.000 2.290 194 I HA -0.303 3.866 4.170 -0.000 0.000 0.253 194 I C 1.672 177.809 176.117 0.033 0.000 1.112 194 I CA 1.665 63.009 61.300 0.073 0.000 1.377 194 I CB -0.433 37.573 38.000 0.009 0.000 1.060 194 I HN -0.067 nan 8.210 nan 0.000 0.428 195 S N 1.092 116.789 115.700 -0.006 0.000 2.447 195 S HA -0.159 4.311 4.470 -0.000 0.000 0.233 195 S C 1.905 176.460 174.600 -0.076 0.000 1.006 195 S CA 1.430 59.610 58.200 -0.032 0.000 0.957 195 S CB -0.330 62.851 63.200 -0.032 0.000 0.773 195 S HN 0.777 nan 8.310 nan 0.000 0.507 196 Q N 0.224 119.927 119.800 -0.161 0.000 2.311 196 Q HA -0.013 4.327 4.340 -0.000 0.000 0.203 196 Q C 1.257 177.040 176.000 -0.363 0.000 0.954 196 Q CA 1.008 56.640 55.803 -0.284 0.000 0.885 196 Q CB -0.325 28.175 28.738 -0.396 0.000 0.963 196 Q HN 0.600 nan 8.270 nan 0.000 0.471 197 H N 0.523 119.550 119.070 -0.072 0.000 2.516 197 H HA 0.274 4.830 4.556 -0.000 0.000 0.284 197 H C 0.669 175.921 175.328 -0.126 0.000 0.999 197 H CA -0.008 55.980 56.048 -0.102 0.000 1.303 197 H CB 0.567 30.251 29.762 -0.129 0.000 1.452 197 H HN 0.140 nan 8.280 nan 0.000 0.530 198 L N 2.095 123.309 121.223 -0.015 0.000 2.416 198 L HA 0.000 4.340 4.340 -0.000 0.000 0.272 198 L C 1.236 178.067 176.870 -0.066 0.000 1.161 198 L CA -0.072 54.718 54.840 -0.084 0.000 0.845 198 L CB 0.872 42.884 42.059 -0.077 0.000 1.119 198 L HN 0.071 nan 8.230 nan 0.000 0.464 199 D N 2.152 122.485 120.400 -0.112 0.000 2.269 199 D HA 0.001 4.641 4.640 -0.000 0.000 0.208 199 D C -0.144 176.231 176.300 0.124 0.000 0.963 199 D CA 1.254 55.249 54.000 -0.009 0.000 0.864 199 D CB 0.359 41.160 40.800 0.002 0.000 0.936 199 D HN 0.373 nan 8.370 nan 0.000 0.505 200 F N -1.319 118.635 119.950 0.008 0.000 2.799 200 F HA 0.464 4.991 4.527 -0.000 0.000 0.316 200 F C -2.118 173.688 175.800 0.009 0.000 1.155 200 F CA -1.444 56.556 58.000 -0.001 0.000 0.916 200 F CB 0.743 39.731 39.000 -0.019 0.000 1.294 200 F HN -0.362 nan 8.300 nan 0.000 0.447 201 I N 2.204 123.039 120.570 0.441 0.000 2.447 201 I HA 0.391 4.561 4.170 -0.000 0.000 0.287 201 I C -0.785 175.507 176.117 0.293 0.000 1.023 201 I CA -0.765 60.704 61.300 0.282 0.000 1.083 201 I CB 2.211 40.272 38.000 0.102 0.000 1.245 201 I HN 0.640 nan 8.210 nan 0.000 0.434 202 S N 6.871 122.765 115.700 0.324 0.000 2.422 202 S HA 0.444 4.914 4.470 -0.000 0.000 0.298 202 S C -0.217 174.473 174.600 0.151 0.000 1.118 202 S CA -0.386 57.963 58.200 0.249 0.000 1.083 202 S CB 0.897 64.321 63.200 0.374 0.000 0.971 202 S HN 0.462 nan 8.310 nan 0.000 0.478 203 I N 4.731 125.350 120.570 0.082 0.000 2.301 203 I HA 0.230 4.400 4.170 -0.000 0.000 0.292 203 I C 0.229 176.315 176.117 -0.052 0.000 1.046 203 I CA -0.755 60.551 61.300 0.009 0.000 1.282 203 I CB 0.425 38.433 38.000 0.014 0.000 1.409 203 I HN 0.649 nan 8.210 nan 0.000 0.484 204 M N 7.135 126.641 119.600 -0.157 0.000 3.584 204 M HA 0.028 4.508 4.480 -0.000 0.000 0.190 204 M C 0.609 176.429 176.300 -0.800 0.000 1.679 204 M CA 0.135 55.120 55.300 -0.525 0.000 1.744 204 M CB -1.417 30.911 32.600 -0.454 0.000 1.228 204 M HN 0.561 nan 8.290 nan 0.000 0.532 205 T N 0.051 114.313 114.554 -0.486 0.000 4.475 205 T HA 0.315 4.665 4.350 -0.000 0.000 0.254 205 T C -0.558 173.962 174.700 -0.300 0.000 1.160 205 T CA -0.320 61.614 62.100 -0.276 0.000 1.091 205 T CB -1.114 67.781 68.868 0.046 0.000 1.377 205 T HN 0.554 nan 8.240 nan 0.000 1.057 206 Y N -2.812 117.224 120.300 -0.440 0.000 2.702 206 Y HA 0.554 5.104 4.550 -0.000 0.000 0.336 206 Y C -0.349 175.305 175.900 -0.411 0.000 1.203 206 Y CA -1.906 55.987 58.100 -0.345 0.000 1.072 206 Y CB 0.284 38.722 38.460 -0.036 0.000 1.327 206 Y HN 0.213 nan 8.280 nan 0.000 0.456 207 D N 0.120 120.673 120.400 0.256 0.000 3.062 207 D HA -0.164 4.476 4.640 -0.000 0.000 0.216 207 D C 0.063 176.385 176.300 0.038 0.000 1.097 207 D CA 0.742 54.836 54.000 0.156 0.000 0.858 207 D CB -0.974 39.862 40.800 0.060 0.000 1.092 207 D HN 0.522 nan 8.370 nan 0.000 0.438 208 F N 0.028 120.149 119.950 0.284 0.000 2.187 208 F HA 0.037 4.564 4.527 -0.000 0.000 0.295 208 F C 1.580 177.518 175.800 0.230 0.000 1.091 208 F CA 0.794 58.925 58.000 0.217 0.000 1.308 208 F CB -0.164 38.949 39.000 0.188 0.000 1.030 208 F HN 0.068 nan 8.300 nan 0.000 0.487 209 H N -0.164 119.125 119.070 0.364 0.000 2.690 209 H HA 0.477 5.032 4.556 -0.000 0.000 0.289 209 H C 0.483 175.943 175.328 0.220 0.000 1.089 209 H CA -0.666 55.510 56.048 0.213 0.000 1.299 209 H CB 0.331 30.228 29.762 0.224 0.000 1.405 209 H HN 0.133 nan 8.280 nan 0.000 0.463 210 G N 1.744 110.520 108.800 -0.040 0.000 2.476 210 G HA2 0.379 4.339 3.960 -0.000 0.000 0.269 210 G HA3 0.379 4.339 3.960 -0.000 0.000 0.269 210 G C 0.772 175.607 174.900 -0.109 0.000 1.195 210 G CA -0.098 45.042 45.100 0.066 0.000 0.843 210 G HN 0.772 nan 8.290 nan 0.000 0.545 211 A N 1.192 124.137 122.820 0.209 0.000 2.209 211 A HA 0.034 4.354 4.320 -0.000 0.000 0.212 211 A C 1.769 179.340 177.584 -0.022 0.000 1.158 211 A CA 1.140 53.270 52.037 0.155 0.000 0.742 211 A CB -0.563 18.651 19.000 0.355 0.000 0.790 211 A HN 0.919 nan 8.150 nan 0.000 0.472 212 W N -0.271 121.033 121.300 0.006 0.000 2.519 212 W HA -0.023 4.637 4.660 -0.000 0.000 0.266 212 W C 1.401 177.874 176.519 -0.075 0.000 1.253 212 W CA 0.547 57.877 57.345 -0.026 0.000 1.274 212 W CB -0.604 28.848 29.460 -0.013 0.000 1.114 212 W HN 0.253 nan 8.180 nan 0.000 0.596 213 R N 1.024 121.003 120.500 -0.868 0.000 2.152 213 R HA -0.034 4.306 4.340 -0.000 0.000 0.232 213 R C 1.984 178.045 176.300 -0.397 0.000 1.117 213 R CA 1.564 57.158 56.100 -0.844 0.000 0.981 213 R CB -0.779 28.865 30.300 -1.093 0.000 0.870 213 R HN 0.423 nan 8.270 nan 0.000 0.451 214 G N 0.869 109.468 108.800 -0.334 0.000 2.136 214 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.242 214 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.242 214 G C 0.052 174.770 174.900 -0.302 0.000 0.989 214 G CA 0.666 45.621 45.100 -0.242 0.000 0.682 214 G HN 0.484 nan 8.290 nan 0.000 0.522 215 T N -2.409 111.885 114.554 -0.434 0.000 2.932 215 T HA 0.675 5.025 4.350 -0.000 0.000 0.318 215 T C -0.047 174.211 174.700 -0.736 0.000 1.265 215 T CA 0.234 62.050 62.100 -0.472 0.000 1.036 215 T CB 1.573 70.242 68.868 -0.330 0.000 1.209 215 T HN 1.351 nan 8.240 nan 0.000 0.484 216 T N -0.407 113.614 114.554 -0.888 0.000 2.932 216 T HA 0.569 4.919 4.350 -0.000 0.000 0.312 216 T C 0.606 174.713 174.700 -0.989 0.000 1.071 216 T CA -0.102 61.236 62.100 -1.270 0.000 1.128 216 T CB 0.410 68.074 68.868 -2.006 0.000 0.984 216 T HN 1.594 nan 8.240 nan 0.000 0.549 217 G N 0.881 109.255 108.800 -0.709 0.000 2.657 217 G HA2 0.304 4.264 3.960 -0.000 0.000 0.303 217 G HA3 0.304 4.264 3.960 -0.000 0.000 0.303 217 G C -1.160 173.782 174.900 0.071 0.000 1.457 217 G CA -0.894 43.834 45.100 -0.620 0.000 0.982 217 G HN 0.993 nan 8.290 nan 0.000 0.583 218 H N 1.773 120.927 119.070 0.140 0.000 3.046 218 H HA 0.007 4.562 4.556 -0.000 0.000 0.303 218 H C 1.674 177.130 175.328 0.213 0.000 1.002 218 H CA 0.825 57.016 56.048 0.237 0.000 1.460 218 H CB 0.773 30.605 29.762 0.117 0.000 1.493 218 H HN 0.834 nan 8.280 nan 0.000 0.559 219 H N 1.671 120.885 119.070 0.241 0.000 2.563 219 H HA 0.075 4.631 4.556 -0.000 0.000 0.272 219 H C 0.205 175.820 175.328 0.479 0.000 1.005 219 H CA 0.587 56.845 56.048 0.350 0.000 1.171 219 H CB 0.527 30.400 29.762 0.184 0.000 1.351 219 H HN 0.240 nan 8.280 nan 0.000 0.602 220 S N 1.696 117.463 115.700 0.113 0.000 2.486 220 S HA 0.251 4.721 4.470 -0.000 0.000 0.144 220 S C -2.972 171.635 174.600 0.012 0.000 1.542 220 S CA -1.173 57.092 58.200 0.109 0.000 1.262 220 S CB 0.358 63.391 63.200 -0.278 0.000 1.462 220 S HN 0.290 nan 8.310 nan 0.000 0.381 221 P HA 0.252 nan 4.420 nan 0.000 0.282 221 P C 0.756 177.885 177.300 -0.284 0.000 1.259 221 P CA -0.686 62.235 63.100 -0.299 0.000 0.826 221 P CB 1.220 32.799 31.700 -0.201 0.000 1.064 222 L N 1.868 122.859 121.223 -0.386 0.000 2.034 222 L HA 0.222 4.561 4.340 -0.000 0.000 0.203 222 L C 0.491 176.854 176.870 -0.845 0.000 1.074 222 L CA 1.751 56.185 54.840 -0.676 0.000 0.748 222 L CB -1.160 40.433 42.059 -0.777 0.000 0.905 222 L HN 0.244 nan 8.230 nan 0.000 0.439 223 F N -0.990 118.836 119.950 -0.206 0.000 2.556 223 F HA 0.370 4.897 4.527 -0.000 0.000 0.327 223 F C 1.595 177.309 175.800 -0.143 0.000 1.059 223 F CA -0.599 57.311 58.000 -0.149 0.000 0.953 223 F CB 0.792 39.733 39.000 -0.098 0.000 1.227 223 F HN -0.054 nan 8.300 nan 0.000 0.478 224 R N 1.142 121.681 120.500 0.065 0.000 2.193 224 R HA 0.217 4.557 4.340 -0.000 0.000 0.229 224 R C 0.953 177.241 176.300 -0.021 0.000 1.110 224 R CA 1.080 57.159 56.100 -0.036 0.000 0.988 224 R CB -0.652 29.609 30.300 -0.065 0.000 0.871 224 R HN 0.982 nan 8.270 nan 0.000 0.458 225 G N 0.652 109.467 108.800 0.024 0.000 2.539 225 G HA2 -0.412 3.548 3.960 -0.000 0.000 0.256 225 G HA3 -0.412 3.548 3.960 -0.000 0.000 0.256 225 G C -0.972 173.913 174.900 -0.025 0.000 1.233 225 G CA 0.213 45.313 45.100 0.000 0.000 0.936 225 G HN 0.609 nan 8.290 nan 0.000 0.571 226 Q N 1.114 120.896 119.800 -0.029 0.000 2.239 226 Q HA 0.217 4.557 4.340 -0.000 0.000 0.286 226 Q C 1.888 177.859 176.000 -0.049 0.000 1.102 226 Q CA 1.197 56.978 55.803 -0.036 0.000 0.936 226 Q CB 0.324 29.043 28.738 -0.032 0.000 1.127 226 Q HN 0.770 nan 8.270 nan 0.000 0.380 227 E N 3.144 123.314 120.200 -0.051 0.000 2.130 227 E HA -0.254 4.096 4.350 -0.000 0.000 0.196 227 E C 0.150 176.709 176.600 -0.069 0.000 0.998 227 E CA 1.971 58.334 56.400 -0.062 0.000 0.806 227 E CB 0.068 29.734 29.700 -0.056 0.000 0.738 227 E HN 0.765 nan 8.360 nan 0.000 0.459 228 D N -0.585 119.779 120.400 -0.059 0.000 2.615 228 D HA 0.259 4.899 4.640 -0.000 0.000 0.236 228 D C 0.493 176.755 176.300 -0.064 0.000 1.233 228 D CA 0.159 54.122 54.000 -0.061 0.000 0.829 228 D CB 0.952 41.721 40.800 -0.051 0.000 1.024 228 D HN 0.270 nan 8.370 nan 0.000 0.490 229 A N -0.253 122.525 122.820 -0.069 0.000 2.508 229 A HA 0.456 4.776 4.320 -0.000 0.000 0.250 229 A C 0.383 177.914 177.584 -0.088 0.000 1.208 229 A CA -0.061 51.930 52.037 -0.077 0.000 0.960 229 A CB 0.296 19.256 19.000 -0.067 0.000 1.099 229 A HN 0.243 nan 8.150 nan 0.000 0.542 230 S N -1.077 114.575 115.700 -0.080 0.000 2.540 230 S HA 0.587 5.057 4.470 -0.000 0.000 0.275 230 S C -2.339 172.213 174.600 -0.080 0.000 1.123 230 S CA -1.040 57.120 58.200 -0.065 0.000 0.907 230 S CB 1.567 64.725 63.200 -0.071 0.000 1.081 230 S HN -0.073 nan 8.310 nan 0.000 0.476 231 P HA -0.096 nan 4.420 nan 0.000 0.208 231 P C -0.105 177.100 177.300 -0.159 0.000 1.180 231 P CA 1.793 64.836 63.100 -0.095 0.000 0.935 231 P CB -0.251 31.401 31.700 -0.079 0.000 0.785 232 D N -3.215 117.054 120.400 -0.219 0.000 2.449 232 D HA 0.227 4.867 4.640 -0.000 0.000 0.250 232 D C 0.692 176.681 176.300 -0.519 0.000 1.050 232 D CA -0.941 52.796 54.000 -0.439 0.000 1.024 232 D CB 0.617 41.063 40.800 -0.589 0.000 1.218 232 D HN -0.170 nan 8.370 nan 0.000 0.566 233 R N -0.708 119.312 120.500 -0.800 0.000 2.275 233 R HA 0.075 4.415 4.340 -0.000 0.000 0.199 233 R C -0.197 175.726 176.300 -0.629 0.000 0.989 233 R CA 0.346 56.092 56.100 -0.590 0.000 1.016 233 R CB -0.151 29.860 30.300 -0.481 0.000 0.918 233 R HN 0.538 nan 8.270 nan 0.000 0.473 234 F N -1.384 118.201 119.950 -0.609 0.000 2.542 234 F HA 0.506 5.033 4.527 -0.000 0.000 0.323 234 F C -0.665 174.768 175.800 -0.612 0.000 1.411 234 F CA -1.351 56.060 58.000 -0.982 0.000 1.124 234 F CB 0.683 38.536 39.000 -1.913 0.000 1.331 234 F HN -0.270 nan 8.300 nan 0.000 0.560 235 S N 1.963 117.392 115.700 -0.452 0.000 2.569 235 S HA 0.307 4.777 4.470 -0.000 0.000 0.215 235 S C -0.753 173.014 174.600 -1.388 0.000 1.096 235 S CA -0.649 57.047 58.200 -0.839 0.000 1.183 235 S CB -0.015 63.022 63.200 -0.272 0.000 1.324 235 S HN 0.767 nan 8.310 nan 0.000 0.421 236 N N -1.994 115.943 118.700 -1.272 0.000 2.825 236 N HA 0.387 5.127 4.740 -0.000 0.000 0.253 236 N C 0.483 175.785 175.510 -0.348 0.000 1.426 236 N CA -0.762 51.837 53.050 -0.752 0.000 0.851 236 N CB 0.089 38.365 38.487 -0.351 0.000 1.470 236 N HN -0.200 nan 8.380 nan 0.000 0.517 237 T N -0.823 113.628 114.554 -0.172 0.000 2.674 237 T HA -0.181 4.168 4.350 -0.000 0.000 0.265 237 T C 0.976 175.577 174.700 -0.165 0.000 1.039 237 T CA 1.946 63.987 62.100 -0.099 0.000 1.150 237 T CB -0.699 68.014 68.868 -0.258 0.000 0.864 237 T HN 0.776 nan 8.240 nan 0.000 0.427 238 D N 0.079 120.233 120.400 -0.410 0.000 2.126 238 D HA -0.215 4.425 4.640 -0.000 0.000 0.190 238 D C 1.868 178.227 176.300 0.099 0.000 1.001 238 D CA 1.552 55.413 54.000 -0.232 0.000 0.841 238 D CB -0.401 40.273 40.800 -0.210 0.000 0.949 238 D HN 0.459 nan 8.370 nan 0.000 0.446 239 Y N 0.777 121.082 120.300 0.008 0.000 2.089 239 Y HA -0.165 4.385 4.550 -0.000 0.000 0.282 239 Y C 2.315 178.293 175.900 0.130 0.000 1.139 239 Y CA 2.318 60.470 58.100 0.087 0.000 1.123 239 Y CB -1.029 37.467 38.460 0.060 0.000 0.980 239 Y HN 0.067 nan 8.280 nan 0.000 0.493 240 A N -0.100 122.978 122.820 0.429 0.000 1.896 240 A HA -0.281 4.039 4.320 -0.000 0.000 0.220 240 A C 2.367 180.074 177.584 0.206 0.000 1.206 240 A CA 2.918 55.172 52.037 0.362 0.000 0.647 240 A CB -1.581 17.613 19.000 0.323 0.000 0.828 240 A HN 0.392 nan 8.150 nan 0.000 0.455 241 V N -0.239 119.766 119.914 0.150 0.000 2.214 241 V HA -0.233 3.886 4.120 -0.000 0.000 0.245 241 V C 2.903 179.038 176.094 0.068 0.000 1.047 241 V CA 2.335 64.707 62.300 0.120 0.000 0.998 241 V CB -1.777 30.160 31.823 0.190 0.000 0.633 241 V HN 0.659 nan 8.190 nan 0.000 0.446 242 G N -1.634 107.200 108.800 0.056 0.000 2.556 242 G HA2 -0.397 3.563 3.960 -0.000 0.000 0.220 242 G HA3 -0.397 3.563 3.960 -0.000 0.000 0.220 242 G C 1.561 176.415 174.900 -0.076 0.000 1.156 242 G CA 1.629 46.720 45.100 -0.014 0.000 0.766 242 G HN 0.568 nan 8.290 nan 0.000 0.583 243 Y N 0.551 120.676 120.300 -0.292 0.000 2.128 243 Y HA -0.126 4.424 4.550 -0.000 0.000 0.284 243 Y C 2.882 178.718 175.900 -0.108 0.000 1.154 243 Y CA 2.251 60.183 58.100 -0.280 0.000 1.149 243 Y CB -0.342 37.921 38.460 -0.328 0.000 0.976 243 Y HN 0.237 nan 8.280 nan 0.000 0.505 244 M N -0.586 118.987 119.600 -0.045 0.000 2.067 244 M HA -0.230 4.250 4.480 -0.000 0.000 0.260 244 M C 2.105 178.326 176.300 -0.132 0.000 1.069 244 M CA 1.900 57.139 55.300 -0.100 0.000 1.117 244 M CB -0.415 32.181 32.600 -0.007 0.000 1.334 244 M HN 0.364 nan 8.290 nan 0.000 0.407 245 L N -0.551 120.622 121.223 -0.083 0.000 2.013 245 L HA -0.287 4.053 4.340 -0.000 0.000 0.212 245 L C 2.662 179.469 176.870 -0.104 0.000 1.073 245 L CA 1.963 56.760 54.840 -0.072 0.000 0.753 245 L CB -0.895 41.138 42.059 -0.044 0.000 0.890 245 L HN 0.402 nan 8.230 nan 0.000 0.432 246 R N 0.648 121.064 120.500 -0.141 0.000 2.152 246 R HA -0.136 4.204 4.340 -0.000 0.000 0.232 246 R C 2.059 178.244 176.300 -0.192 0.000 1.117 246 R CA 1.113 57.124 56.100 -0.149 0.000 0.981 246 R CB -0.185 30.023 30.300 -0.153 0.000 0.870 246 R HN 0.377 nan 8.270 nan 0.000 0.451 247 L N -0.269 120.788 121.223 -0.275 0.000 2.622 247 L HA 0.073 4.413 4.340 -0.000 0.000 0.233 247 L C 1.281 178.068 176.870 -0.139 0.000 1.156 247 L CA 1.038 55.725 54.840 -0.255 0.000 0.866 247 L CB 0.142 41.995 42.059 -0.344 0.000 0.980 247 L HN 0.757 nan 8.230 nan 0.000 0.448 248 G N -0.912 107.822 108.800 -0.110 0.000 2.428 248 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.199 248 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.199 248 G C 0.513 175.377 174.900 -0.060 0.000 1.005 248 G CA -0.197 44.859 45.100 -0.073 0.000 0.671 248 G HN 0.400 nan 8.290 nan 0.000 0.485 249 A N 1.953 124.733 122.820 -0.067 0.000 2.573 249 A HA 0.505 4.825 4.320 -0.000 0.000 0.250 249 A C -1.917 175.648 177.584 -0.033 0.000 1.049 249 A CA 0.454 52.464 52.037 -0.046 0.000 0.767 249 A CB -0.228 18.743 19.000 -0.048 0.000 0.965 249 A HN 0.228 nan 8.150 nan 0.000 0.514 250 P HA 0.345 nan 4.420 nan 0.000 0.286 250 P C 0.768 178.068 177.300 0.001 0.000 1.269 250 P CA 0.143 63.235 63.100 -0.012 0.000 0.787 250 P CB 1.500 33.194 31.700 -0.010 0.000 0.920 251 A N 3.255 126.075 122.820 -0.000 0.000 1.986 251 A HA -0.223 4.097 4.320 -0.000 0.000 0.220 251 A C 2.055 179.654 177.584 0.026 0.000 1.171 251 A CA 2.472 54.515 52.037 0.010 0.000 0.640 251 A CB -1.589 17.414 19.000 0.005 0.000 0.811 251 A HN 0.595 nan 8.150 nan 0.000 0.451 252 S N -0.818 114.896 115.700 0.023 0.000 2.453 252 S HA -0.032 4.438 4.470 -0.000 0.000 0.231 252 S C 1.299 175.925 174.600 0.043 0.000 1.005 252 S CA 1.251 59.469 58.200 0.030 0.000 0.949 252 S CB -0.159 63.052 63.200 0.018 0.000 0.774 252 S HN 0.585 nan 8.310 nan 0.000 0.510 253 K N 0.388 120.816 120.400 0.047 0.000 2.576 253 K HA 0.406 4.726 4.320 -0.000 0.000 0.209 253 K C -1.109 175.545 176.600 0.091 0.000 1.049 253 K CA -0.185 56.151 56.287 0.083 0.000 1.140 253 K CB 0.428 32.966 32.500 0.063 0.000 0.871 253 K HN 0.243 nan 8.250 nan 0.000 0.479 254 L N 1.016 122.273 121.223 0.057 0.000 2.372 254 L HA 0.318 4.657 4.340 -0.000 0.000 0.274 254 L C -1.158 175.725 176.870 0.022 0.000 0.988 254 L CA -0.736 54.134 54.840 0.049 0.000 0.833 254 L CB 1.808 43.886 42.059 0.031 0.000 1.236 254 L HN -0.229 nan 8.230 nan 0.000 0.410 255 V N 5.730 125.653 119.914 0.015 0.000 2.398 255 V HA 0.424 4.544 4.120 -0.000 0.000 0.286 255 V C 0.258 176.368 176.094 0.026 0.000 1.026 255 V CA -0.469 61.807 62.300 -0.040 0.000 0.868 255 V CB 1.555 33.276 31.823 -0.171 0.000 0.982 255 V HN 0.842 nan 8.190 nan 0.000 0.443 256 M N 4.681 124.298 119.600 0.029 0.000 2.108 256 M HA 0.561 5.041 4.480 -0.000 0.000 0.354 256 M C 0.616 176.971 176.300 0.092 0.000 1.229 256 M CA -0.196 55.140 55.300 0.061 0.000 1.081 256 M CB 0.593 33.234 32.600 0.068 0.000 1.606 256 M HN 0.780 nan 8.290 nan 0.000 0.467 257 G N 6.053 114.928 108.800 0.126 0.000 2.441 257 G HA2 0.482 4.441 3.960 -0.000 0.000 0.243 257 G HA3 0.482 4.441 3.960 -0.000 0.000 0.243 257 G C -0.713 174.350 174.900 0.272 0.000 1.281 257 G CA -0.526 44.723 45.100 0.247 0.000 0.854 257 G HN 0.829 nan 8.290 nan 0.000 0.560 258 I N 3.641 124.389 120.570 0.298 0.000 2.533 258 I HA 0.322 4.492 4.170 -0.000 0.000 0.290 258 I C -2.295 173.906 176.117 0.141 0.000 1.056 258 I CA -2.230 59.181 61.300 0.185 0.000 1.057 258 I CB 3.312 41.363 38.000 0.085 0.000 1.240 258 I HN 0.337 nan 8.210 nan 0.000 0.423 259 P HA 0.210 nan 4.420 nan 0.000 0.288 259 P C 0.106 177.300 177.300 -0.177 0.000 1.267 259 P CA -0.307 62.617 63.100 -0.294 0.000 0.815 259 P CB 1.556 32.814 31.700 -0.737 0.000 0.989 260 T N -0.731 113.808 114.554 -0.025 0.000 3.176 260 T HA 0.362 4.712 4.350 -0.000 0.000 0.263 260 T C 0.316 175.066 174.700 0.085 0.000 1.021 260 T CA -0.327 61.772 62.100 -0.002 0.000 0.905 260 T CB -0.984 67.915 68.868 0.050 0.000 1.057 260 T HN 0.390 nan 8.240 nan 0.000 0.558 261 F N -0.711 119.252 119.950 0.021 0.000 2.611 261 F HA 0.935 5.462 4.527 -0.000 0.000 0.324 261 F C 0.103 175.939 175.800 0.059 0.000 1.061 261 F CA -1.748 56.244 58.000 -0.013 0.000 0.954 261 F CB 0.918 39.870 39.000 -0.080 0.000 1.301 261 F HN 0.063 nan 8.300 nan 0.000 0.482 262 G N 0.235 109.095 108.800 0.101 0.000 2.667 262 G HA2 0.637 4.597 3.960 -0.000 0.000 0.310 262 G HA3 0.637 4.597 3.960 -0.000 0.000 0.310 262 G C -1.441 173.429 174.900 -0.051 0.000 1.259 262 G CA -1.298 43.825 45.100 0.039 0.000 1.019 262 G HN 0.636 nan 8.290 nan 0.000 0.496 263 R N 0.638 121.052 120.500 -0.142 0.000 2.422 263 R HA 0.368 4.708 4.340 -0.000 0.000 0.307 263 R C -0.201 175.825 176.300 -0.457 0.000 1.004 263 R CA -0.337 55.578 56.100 -0.309 0.000 0.882 263 R CB 1.550 31.637 30.300 -0.355 0.000 1.164 263 R HN 0.704 nan 8.270 nan 0.000 0.489 264 S N 2.334 117.771 115.700 -0.438 0.000 2.646 264 S HA 0.707 5.177 4.470 -0.000 0.000 0.276 264 S C -0.279 173.981 174.600 -0.565 0.000 1.222 264 S CA -0.418 57.560 58.200 -0.369 0.000 1.014 264 S CB 1.061 64.135 63.200 -0.210 0.000 0.991 264 S HN 0.301 nan 8.310 nan 0.000 0.533 265 F N -0.752 119.304 119.950 0.176 0.000 2.613 265 F HA 0.499 5.026 4.527 -0.000 0.000 0.314 265 F C 0.199 176.079 175.800 0.134 0.000 1.075 265 F CA -0.861 57.205 58.000 0.110 0.000 0.945 265 F CB 2.115 41.135 39.000 0.033 0.000 1.310 265 F HN 0.505 nan 8.300 nan 0.000 0.467 266 T N 3.715 118.446 114.554 0.295 0.000 2.770 266 T HA 0.529 4.879 4.350 -0.000 0.000 0.297 266 T C 0.093 174.889 174.700 0.160 0.000 0.997 266 T CA -0.525 61.700 62.100 0.208 0.000 0.949 266 T CB 0.129 69.086 68.868 0.149 0.000 0.941 266 T HN 0.286 nan 8.240 nan 0.000 0.457 267 L N 1.897 123.221 121.223 0.168 0.000 2.492 267 L HA 0.321 4.661 4.340 -0.000 0.000 0.280 267 L C 1.302 178.211 176.870 0.065 0.000 1.240 267 L CA -0.269 54.631 54.840 0.099 0.000 0.831 267 L CB 0.187 42.334 42.059 0.146 0.000 1.100 267 L HN 0.726 nan 8.230 nan 0.000 0.505 268 A N 0.471 123.307 122.820 0.027 0.000 2.551 268 A HA 0.377 4.696 4.320 -0.000 0.000 0.252 268 A C 0.381 177.977 177.584 0.020 0.000 1.199 268 A CA 0.469 52.518 52.037 0.020 0.000 0.972 268 A CB 0.251 19.250 19.000 -0.002 0.000 1.153 268 A HN 0.742 nan 8.150 nan 0.000 0.559 269 S N -1.744 113.972 115.700 0.027 0.000 2.727 269 S HA 0.396 4.866 4.470 -0.000 0.000 0.278 269 S C 0.753 175.383 174.600 0.050 0.000 1.186 269 S CA 0.454 58.671 58.200 0.029 0.000 0.836 269 S CB 0.542 63.748 63.200 0.010 0.000 1.186 269 S HN 0.759 nan 8.310 nan 0.000 0.499 270 S N -0.535 115.195 115.700 0.050 0.000 2.515 270 S HA 0.107 4.576 4.470 -0.000 0.000 0.231 270 S C 0.263 174.913 174.600 0.083 0.000 0.987 270 S CA 0.147 58.388 58.200 0.068 0.000 0.936 270 S CB -0.801 62.433 63.200 0.056 0.000 0.766 270 S HN 0.724 nan 8.310 nan 0.000 0.528 271 E N 2.037 122.274 120.200 0.061 0.000 2.376 271 E HA 0.181 4.531 4.350 -0.000 0.000 0.266 271 E C 0.555 177.221 176.600 0.111 0.000 1.009 271 E CA 0.511 56.950 56.400 0.064 0.000 0.902 271 E CB 0.654 30.361 29.700 0.013 0.000 0.972 271 E HN 0.564 nan 8.360 nan 0.000 0.439 272 T N -0.640 114.029 114.554 0.192 0.000 3.091 272 T HA 0.260 4.610 4.350 -0.000 0.000 0.277 272 T C 0.742 175.746 174.700 0.508 0.000 0.996 272 T CA -0.329 61.996 62.100 0.376 0.000 0.897 272 T CB 0.554 69.697 68.868 0.458 0.000 1.109 272 T HN 0.378 nan 8.240 nan 0.000 0.534 273 G N 1.207 110.152 108.800 0.242 0.000 2.563 273 G HA2 0.515 4.475 3.960 -0.000 0.000 0.283 273 G HA3 0.515 4.475 3.960 -0.000 0.000 0.283 273 G C -0.302 174.573 174.900 -0.043 0.000 1.309 273 G CA -0.621 44.584 45.100 0.175 0.000 1.022 273 G HN 0.312 nan 8.290 nan 0.000 0.501 274 V N 0.574 120.421 119.914 -0.112 0.000 2.673 274 V HA 0.391 4.511 4.120 -0.000 0.000 0.303 274 V C 1.590 177.518 176.094 -0.276 0.000 1.046 274 V CA 1.639 63.803 62.300 -0.226 0.000 1.126 274 V CB 0.513 32.264 31.823 -0.119 0.000 0.934 274 V HN 1.818 nan 8.190 nan 0.000 0.487 275 G N 3.492 112.041 108.800 -0.417 0.000 2.153 275 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.252 275 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.252 275 G C 0.314 175.036 174.900 -0.295 0.000 0.994 275 G CA 0.143 45.044 45.100 -0.331 0.000 0.698 275 G HN 1.520 nan 8.290 nan 0.000 0.521 276 A N 0.834 123.441 122.820 -0.355 0.000 2.340 276 A HA 0.758 5.078 4.320 -0.000 0.000 0.268 276 A C -1.063 176.354 177.584 -0.279 0.000 1.100 276 A CA -0.917 50.971 52.037 -0.249 0.000 0.803 276 A CB 0.644 19.526 19.000 -0.197 0.000 1.043 276 A HN 0.277 nan 8.150 nan 0.000 0.488 277 P HA 0.216 nan 4.420 nan 0.000 0.267 277 P C -0.534 176.667 177.300 -0.165 0.000 1.200 277 P CA 0.537 63.537 63.100 -0.167 0.000 0.772 277 P CB 0.427 32.067 31.700 -0.099 0.000 0.855 278 I N -1.098 119.369 120.570 -0.171 0.000 3.002 278 I HA 0.579 4.749 4.170 -0.000 0.000 0.310 278 I C -0.192 175.893 176.117 -0.053 0.000 1.087 278 I CA -1.105 60.127 61.300 -0.114 0.000 1.017 278 I CB 2.597 40.489 38.000 -0.181 0.000 1.226 278 I HN 0.256 nan 8.210 nan 0.000 0.443 279 S N 1.854 117.557 115.700 0.006 0.000 2.422 279 S HA 0.774 5.244 4.470 -0.000 0.000 0.226 279 S C 0.113 174.745 174.600 0.054 0.000 1.242 279 S CA -0.042 58.172 58.200 0.023 0.000 1.231 279 S CB -0.258 62.959 63.200 0.029 0.000 1.067 279 S HN 2.032 nan 8.310 nan 0.000 0.462 280 G N 2.100 110.940 108.800 0.066 0.000 2.525 280 G HA2 0.058 4.018 3.960 -0.000 0.000 0.685 280 G HA3 0.058 4.018 3.960 -0.000 0.000 0.685 280 G C -3.433 171.577 174.900 0.183 0.000 1.290 280 G CA -0.608 44.557 45.100 0.108 0.000 0.915 280 G HN 0.423 nan 8.290 nan 0.000 0.548 281 P HA 0.459 nan 4.420 nan 0.000 0.274 281 P C 0.880 178.260 177.300 0.133 0.000 1.256 281 P CA 0.631 63.849 63.100 0.197 0.000 0.795 281 P CB 0.548 32.318 31.700 0.117 0.000 1.038 282 G N 0.653 109.495 108.800 0.070 0.000 2.569 282 G HA2 0.294 4.254 3.960 -0.000 0.000 0.249 282 G HA3 0.294 4.254 3.960 -0.000 0.000 0.249 282 G C 0.263 175.192 174.900 0.048 0.000 1.216 282 G CA -0.785 44.354 45.100 0.065 0.000 0.845 282 G HN 0.432 nan 8.290 nan 0.000 0.568 283 I N 1.827 122.439 120.570 0.071 0.000 2.775 283 I HA 0.001 4.171 4.170 -0.000 0.000 0.290 283 I C -1.631 174.509 176.117 0.038 0.000 1.203 283 I CA -0.948 60.390 61.300 0.064 0.000 1.433 283 I CB 0.683 38.735 38.000 0.087 0.000 1.354 283 I HN 0.242 nan 8.210 nan 0.000 0.579 284 P HA 0.002 nan 4.420 nan 0.000 0.265 284 P C 0.091 177.409 177.300 0.029 0.000 1.187 284 P CA -0.043 63.069 63.100 0.021 0.000 0.766 284 P CB 0.433 32.149 31.700 0.027 0.000 0.820 285 G N 2.270 111.080 108.800 0.017 0.000 2.569 285 G HA2 -0.000 3.960 3.960 -0.000 0.000 0.249 285 G HA3 -0.000 3.960 3.960 -0.000 0.000 0.249 285 G C 1.020 175.971 174.900 0.085 0.000 1.216 285 G CA -0.379 44.746 45.100 0.043 0.000 0.845 285 G HN 0.351 nan 8.290 nan 0.000 0.568 286 R N 0.933 121.512 120.500 0.132 0.000 2.103 286 R HA -0.127 4.213 4.340 -0.000 0.000 0.234 286 R C 2.272 178.582 176.300 0.017 0.000 1.132 286 R CA 1.743 57.869 56.100 0.044 0.000 0.925 286 R CB -0.728 29.595 30.300 0.039 0.000 0.842 286 R HN 0.634 nan 8.270 nan 0.000 0.430 287 F N -0.148 119.882 119.950 0.132 0.000 2.234 287 F HA -0.064 4.463 4.527 -0.000 0.000 0.296 287 F C 2.565 178.434 175.800 0.115 0.000 1.089 287 F CA 1.430 59.532 58.000 0.171 0.000 1.343 287 F CB -0.939 38.258 39.000 0.329 0.000 1.040 287 F HN 0.181 nan 8.300 nan 0.000 0.498 288 T N -2.510 112.177 114.554 0.222 0.000 3.023 288 T HA -0.035 4.315 4.350 -0.000 0.000 0.266 288 T C 0.913 175.665 174.700 0.086 0.000 1.093 288 T CA 0.109 62.274 62.100 0.108 0.000 1.129 288 T CB -0.558 68.303 68.868 -0.012 0.000 0.899 288 T HN 0.151 nan 8.240 nan 0.000 0.491 289 K N 1.553 122.000 120.400 0.078 0.000 3.540 289 K HA -0.187 4.133 4.320 -0.000 0.000 0.274 289 K C -0.320 176.301 176.600 0.035 0.000 0.890 289 K CA 0.733 57.052 56.287 0.054 0.000 0.701 289 K CB -1.283 31.256 32.500 0.065 0.000 1.523 289 K HN 0.764 nan 8.250 nan 0.000 0.450 290 E N -0.049 120.159 120.200 0.013 0.000 2.313 290 E HA 0.442 4.792 4.350 -0.000 0.000 0.280 290 E C -0.824 175.765 176.600 -0.018 0.000 0.898 290 E CA -0.363 56.034 56.400 -0.005 0.000 0.803 290 E CB 1.297 30.982 29.700 -0.025 0.000 1.286 290 E HN 0.333 nan 8.360 nan 0.000 0.401 291 A N 2.296 125.114 122.820 -0.003 0.000 2.520 291 A HA 0.429 4.749 4.320 -0.000 0.000 0.235 291 A C 1.337 178.903 177.584 -0.030 0.000 1.065 291 A CA 1.085 53.121 52.037 -0.002 0.000 0.764 291 A CB -0.250 18.764 19.000 0.024 0.000 1.002 291 A HN 1.295 nan 8.150 nan 0.000 0.502 292 G N 0.990 109.760 108.800 -0.051 0.000 2.189 292 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.267 292 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.267 292 G C 0.427 175.230 174.900 -0.161 0.000 0.975 292 G CA 0.955 45.982 45.100 -0.120 0.000 0.644 292 G HN 1.327 nan 8.290 nan 0.000 0.537 293 T N 0.288 114.768 114.554 -0.123 0.000 2.887 293 T HA 0.742 5.091 4.350 -0.000 0.000 0.288 293 T C -0.426 174.203 174.700 -0.118 0.000 1.021 293 T CA -0.425 61.602 62.100 -0.122 0.000 1.000 293 T CB 2.007 70.781 68.868 -0.157 0.000 1.034 293 T HN 0.417 nan 8.240 nan 0.000 0.467 294 L N 1.735 122.895 121.223 -0.105 0.000 2.543 294 L HA 0.656 4.996 4.340 -0.000 0.000 0.265 294 L C -0.058 176.722 176.870 -0.151 0.000 0.945 294 L CA -1.156 53.583 54.840 -0.168 0.000 0.869 294 L CB 1.821 43.733 42.059 -0.246 0.000 1.294 294 L HN 0.769 nan 8.230 nan 0.000 0.405 295 A N 1.296 123.926 122.820 -0.318 0.000 2.272 295 A HA 0.251 4.571 4.320 -0.000 0.000 0.275 295 A C 0.395 177.773 177.584 -0.344 0.000 1.096 295 A CA 0.098 51.910 52.037 -0.376 0.000 0.822 295 A CB 0.215 18.698 19.000 -0.861 0.000 1.088 295 A HN 0.738 nan 8.150 nan 0.000 0.495 296 Y N 0.585 120.700 120.300 -0.308 0.000 2.165 296 Y HA -0.305 4.245 4.550 -0.000 0.000 0.286 296 Y C 2.145 177.903 175.900 -0.237 0.000 1.155 296 Y CA 2.675 60.654 58.100 -0.202 0.000 1.164 296 Y CB -0.795 37.634 38.460 -0.052 0.000 0.978 296 Y HN 0.797 nan 8.280 nan 0.000 0.513 297 Y N -1.120 118.984 120.300 -0.328 0.000 2.274 297 Y HA -0.091 4.459 4.550 -0.000 0.000 0.290 297 Y C 1.829 177.368 175.900 -0.602 0.000 1.145 297 Y CA 1.338 59.060 58.100 -0.630 0.000 1.203 297 Y CB -1.200 36.572 38.460 -1.147 0.000 0.984 297 Y HN 0.148 nan 8.280 nan 0.000 0.533 298 E N 0.753 120.592 120.200 -0.601 0.000 2.216 298 E HA -0.018 4.332 4.350 -0.000 0.000 0.192 298 E C 2.043 178.538 176.600 -0.175 0.000 0.988 298 E CA 0.968 57.214 56.400 -0.257 0.000 0.834 298 E CB -0.087 29.463 29.700 -0.250 0.000 0.772 298 E HN 0.567 nan 8.360 nan 0.000 0.479 299 I N 0.617 120.993 120.570 -0.323 0.000 2.233 299 I HA -0.262 3.908 4.170 -0.000 0.000 0.243 299 I C 2.283 178.237 176.117 -0.272 0.000 1.093 299 I CA 0.521 61.606 61.300 -0.358 0.000 1.380 299 I CB -0.331 37.343 38.000 -0.544 0.000 1.067 299 I HN 0.221 nan 8.210 nan 0.000 0.413 300 c N 0.595 118.951 118.600 -0.407 0.000 2.403 300 c HA -0.219 4.351 4.570 -0.000 0.000 0.279 300 c C 2.583 176.635 174.090 -0.063 0.000 1.269 300 c CA 1.101 57.255 56.329 -0.291 0.000 1.774 300 c CB -1.048 41.269 42.510 -0.322 0.000 1.993 300 c HN 0.563 nan 8.230 nan 0.000 0.496 301 D N -0.425 119.992 120.400 0.029 0.000 2.085 301 D HA -0.135 4.505 4.640 -0.000 0.000 0.199 301 D C 1.946 178.306 176.300 0.101 0.000 0.981 301 D CA 1.056 55.126 54.000 0.117 0.000 0.834 301 D CB -0.415 40.525 40.800 0.233 0.000 0.992 301 D HN 0.460 nan 8.370 nan 0.000 0.457 302 F N 1.758 121.674 119.950 -0.057 0.000 2.111 302 F HA -0.251 4.275 4.527 -0.000 0.000 0.300 302 F C 2.222 177.974 175.800 -0.080 0.000 1.088 302 F CA 1.354 59.314 58.000 -0.067 0.000 1.243 302 F CB -0.359 38.575 39.000 -0.110 0.000 0.996 302 F HN -0.022 nan 8.300 nan 0.000 0.483 303 L N 0.385 121.684 121.223 0.127 0.000 2.349 303 L HA -0.165 4.175 4.340 -0.000 0.000 0.220 303 L C 0.920 177.744 176.870 -0.076 0.000 1.130 303 L CA 0.630 55.481 54.840 0.018 0.000 0.791 303 L CB -0.687 41.378 42.059 0.009 0.000 0.918 303 L HN 0.030 nan 8.230 nan 0.000 0.444 304 R N 0.447 120.897 120.500 -0.082 0.000 2.370 304 R HA 0.219 4.559 4.340 -0.000 0.000 0.309 304 R C 1.144 177.368 176.300 -0.128 0.000 1.059 304 R CA 0.604 56.656 56.100 -0.080 0.000 0.981 304 R CB 0.187 30.457 30.300 -0.051 0.000 0.972 304 R HN 0.257 nan 8.270 nan 0.000 0.437 305 G N 1.344 110.080 108.800 -0.107 0.000 2.184 305 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.264 305 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.264 305 G C 0.254 175.060 174.900 -0.156 0.000 0.975 305 G CA 0.251 45.282 45.100 -0.116 0.000 0.642 305 G HN 0.844 nan 8.290 nan 0.000 0.536 306 A N -0.918 121.788 122.820 -0.190 0.000 2.242 306 A HA 0.870 5.190 4.320 -0.000 0.000 0.304 306 A C 0.321 177.819 177.584 -0.144 0.000 1.100 306 A CA 0.598 52.508 52.037 -0.212 0.000 0.860 306 A CB 1.077 19.912 19.000 -0.275 0.000 1.168 306 A HN 0.677 nan 8.150 nan 0.000 0.503 307 T N 0.536 114.997 114.554 -0.155 0.000 2.786 307 T HA 0.508 4.858 4.350 -0.000 0.000 0.283 307 T C -0.482 173.975 174.700 -0.404 0.000 0.992 307 T CA -0.193 61.752 62.100 -0.258 0.000 0.954 307 T CB 0.903 69.612 68.868 -0.265 0.000 0.934 307 T HN 0.445 nan 8.240 nan 0.000 0.440 308 V N 4.564 124.241 119.914 -0.394 0.000 2.743 308 V HA 0.489 4.609 4.120 -0.000 0.000 0.301 308 V C -0.358 175.354 176.094 -0.637 0.000 1.057 308 V CA -0.710 61.358 62.300 -0.387 0.000 1.006 308 V CB 1.299 33.042 31.823 -0.133 0.000 1.024 308 V HN 0.804 nan 8.190 nan 0.000 0.473 309 H N 3.306 122.098 119.070 -0.464 0.000 3.181 309 H HA 0.368 4.924 4.556 -0.000 0.000 0.331 309 H C -0.661 174.519 175.328 -0.247 0.000 0.988 309 H CA -0.847 54.930 56.048 -0.453 0.000 1.449 309 H CB 1.309 30.523 29.762 -0.913 0.000 1.749 309 H HN 0.469 nan 8.280 nan 0.000 0.501 310 R N 3.403 123.915 120.500 0.020 0.000 2.343 310 R HA 0.194 4.534 4.340 -0.000 0.000 0.326 310 R C 0.394 176.744 176.300 0.082 0.000 1.055 310 R CA -0.390 55.722 56.100 0.020 0.000 0.961 310 R CB 0.037 30.342 30.300 0.008 0.000 0.978 310 R HN 0.530 nan 8.270 nan 0.000 0.443 311 I N 4.701 125.345 120.570 0.123 0.000 2.671 311 I HA -0.165 4.005 4.170 -0.000 0.000 0.285 311 I C 2.109 178.260 176.117 0.057 0.000 1.148 311 I CA 0.112 61.496 61.300 0.140 0.000 1.386 311 I CB 0.335 38.415 38.000 0.132 0.000 1.406 311 I HN 0.525 nan 8.210 nan 0.000 0.540 312 L N 5.651 126.906 121.223 0.053 0.000 1.978 312 L HA -0.238 4.102 4.340 -0.000 0.000 0.218 312 L C 2.336 179.216 176.870 0.018 0.000 1.075 312 L CA 2.197 57.054 54.840 0.028 0.000 0.767 312 L CB -0.440 41.631 42.059 0.020 0.000 0.890 312 L HN 0.877 nan 8.230 nan 0.000 0.434 313 G N -2.018 106.791 108.800 0.014 0.000 2.511 313 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.217 313 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.217 313 G C 1.320 176.257 174.900 0.062 0.000 1.133 313 G CA 0.104 45.212 45.100 0.014 0.000 0.792 313 G HN 0.469 nan 8.290 nan 0.000 0.539 314 Q N -0.731 119.086 119.800 0.029 0.000 2.356 314 Q HA 0.130 4.470 4.340 -0.000 0.000 0.205 314 Q C 0.476 176.448 176.000 -0.047 0.000 0.901 314 Q CA -0.090 55.712 55.803 -0.002 0.000 0.938 314 Q CB 0.482 29.157 28.738 -0.106 0.000 1.081 314 Q HN 0.177 nan 8.270 nan 0.000 0.517 315 Q N -0.723 119.069 119.800 -0.014 0.000 2.503 315 Q HA -0.131 4.209 4.340 -0.000 0.000 0.267 315 Q C -0.737 175.185 176.000 -0.129 0.000 1.030 315 Q CA 1.055 56.839 55.803 -0.032 0.000 1.041 315 Q CB -2.412 26.340 28.738 0.023 0.000 1.406 315 Q HN 0.369 nan 8.270 nan 0.000 0.524 316 V N -3.512 116.290 119.914 -0.187 0.000 3.007 316 V HA 0.927 5.047 4.120 -0.000 0.000 0.311 316 V C -2.617 173.383 176.094 -0.157 0.000 1.120 316 V CA -2.207 59.922 62.300 -0.284 0.000 0.980 316 V CB 2.814 34.183 31.823 -0.757 0.000 1.033 316 V HN -0.083 nan 8.190 nan 0.000 0.429 317 P HA 0.523 nan 4.420 nan 0.000 0.290 317 P C -1.983 175.209 177.300 -0.180 0.000 1.283 317 P CA -0.335 62.634 63.100 -0.218 0.000 0.869 317 P CB 1.556 33.025 31.700 -0.386 0.000 1.100 318 Y N -0.223 119.962 120.300 -0.192 0.000 2.421 318 Y HA 0.800 5.350 4.550 -0.000 0.000 0.339 318 Y C -1.587 174.184 175.900 -0.216 0.000 0.996 318 Y CA -1.443 56.454 58.100 -0.338 0.000 1.046 318 Y CB 1.130 39.166 38.460 -0.706 0.000 1.226 318 Y HN 0.572 nan 8.280 nan 0.000 0.445 319 A N 2.640 125.444 122.820 -0.026 0.000 2.356 319 A HA 0.854 5.174 4.320 -0.000 0.000 0.323 319 A C -0.765 176.841 177.584 0.037 0.000 1.119 319 A CA -0.566 51.455 52.037 -0.027 0.000 0.790 319 A CB 1.724 20.861 19.000 0.229 0.000 1.273 319 A HN 0.999 nan 8.150 nan 0.000 0.452 320 T N 0.416 115.032 114.554 0.104 0.000 3.032 320 T HA 0.573 4.923 4.350 -0.000 0.000 0.312 320 T C -1.302 173.485 174.700 0.146 0.000 1.078 320 T CA -0.548 61.704 62.100 0.253 0.000 1.028 320 T CB 0.759 69.814 68.868 0.311 0.000 1.091 320 T HN 0.810 nan 8.240 nan 0.000 0.457 321 K N 3.325 123.800 120.400 0.125 0.000 2.501 321 K HA 0.611 4.931 4.320 -0.000 0.000 0.252 321 K C 0.747 177.361 176.600 0.022 0.000 0.934 321 K CA 0.184 56.417 56.287 -0.089 0.000 0.797 321 K CB 1.378 33.590 32.500 -0.479 0.000 1.270 321 K HN 1.067 nan 8.250 nan 0.000 0.431 322 G N 3.109 111.927 108.800 0.030 0.000 2.594 322 G HA2 -0.402 3.558 3.960 -0.000 0.000 0.297 322 G HA3 -0.402 3.558 3.960 -0.000 0.000 0.297 322 G C 0.284 175.264 174.900 0.133 0.000 1.273 322 G CA 0.619 45.758 45.100 0.064 0.000 0.974 322 G HN 0.898 nan 8.290 nan 0.000 0.552 323 N N 1.178 119.961 118.700 0.139 0.000 2.370 323 N HA 0.040 4.780 4.740 -0.000 0.000 0.198 323 N C 0.323 175.978 175.510 0.240 0.000 1.156 323 N CA 0.819 53.971 53.050 0.170 0.000 0.839 323 N CB 0.181 38.744 38.487 0.126 0.000 0.989 323 N HN 0.596 nan 8.380 nan 0.000 0.468 324 Q N 0.065 120.049 119.800 0.306 0.000 2.245 324 Q HA 0.273 4.613 4.340 -0.000 0.000 0.256 324 Q C -1.450 174.879 176.000 0.549 0.000 0.942 324 Q CA -0.288 55.761 55.803 0.410 0.000 0.896 324 Q CB 1.712 30.753 28.738 0.505 0.000 1.272 324 Q HN 0.384 nan 8.270 nan 0.000 0.442 325 W N 2.202 123.656 121.300 0.257 0.000 2.830 325 W HA 0.541 5.201 4.660 -0.000 0.000 0.335 325 W C -1.520 175.067 176.519 0.112 0.000 1.043 325 W CA -0.691 56.819 57.345 0.274 0.000 1.239 325 W CB 1.306 30.945 29.460 0.298 0.000 1.378 325 W HN 0.346 nan 8.180 nan 0.000 0.456 326 V N 6.184 126.118 119.914 0.034 0.000 2.686 326 V HA 0.859 4.979 4.120 -0.000 0.000 0.306 326 V C -0.379 175.704 176.094 -0.019 0.000 1.065 326 V CA -0.478 61.792 62.300 -0.050 0.000 0.894 326 V CB 1.572 33.176 31.823 -0.366 0.000 1.004 326 V HN 0.651 nan 8.190 nan 0.000 0.424 327 G N 5.700 114.537 108.800 0.061 0.000 2.343 327 G HA2 0.678 4.638 3.960 -0.000 0.000 0.319 327 G HA3 0.678 4.638 3.960 -0.000 0.000 0.319 327 G C -1.197 173.615 174.900 -0.147 0.000 1.126 327 G CA -0.073 44.961 45.100 -0.110 0.000 0.889 327 G HN 1.224 nan 8.290 nan 0.000 0.457 328 Y N -0.447 119.729 120.300 -0.206 0.000 3.008 328 Y HA 0.739 5.289 4.550 -0.000 0.000 0.306 328 Y C -1.516 174.459 175.900 0.125 0.000 1.643 328 Y CA -1.824 56.236 58.100 -0.066 0.000 1.087 328 Y CB 0.605 39.051 38.460 -0.023 0.000 1.760 328 Y HN 0.396 nan 8.280 nan 0.000 0.438 329 D N 0.486 120.899 120.400 0.022 0.000 2.646 329 D HA 0.452 5.091 4.640 -0.000 0.000 0.245 329 D C -1.531 174.757 176.300 -0.021 0.000 1.099 329 D CA -0.407 53.542 54.000 -0.086 0.000 0.849 329 D CB 1.823 42.571 40.800 -0.088 0.000 1.448 329 D HN 0.601 nan 8.370 nan 0.000 0.489 330 D N 0.451 120.819 120.400 -0.053 0.000 2.621 330 D HA 0.241 4.881 4.640 -0.000 0.000 0.255 330 D C 0.753 177.028 176.300 -0.041 0.000 1.122 330 D CA -0.574 53.440 54.000 0.022 0.000 1.096 330 D CB 0.463 41.374 40.800 0.185 0.000 1.282 330 D HN 0.064 nan 8.370 nan 0.000 0.619 331 Q N -0.121 119.686 119.800 0.012 0.000 2.030 331 Q HA -0.172 4.168 4.340 -0.000 0.000 0.204 331 Q C 1.805 177.808 176.000 0.005 0.000 0.986 331 Q CA 2.010 57.819 55.803 0.010 0.000 0.843 331 Q CB -0.290 28.480 28.738 0.053 0.000 0.904 331 Q HN 0.710 nan 8.270 nan 0.000 0.420 332 E N -0.053 120.157 120.200 0.017 0.000 2.097 332 E HA -0.256 4.094 4.350 -0.000 0.000 0.196 332 E C 1.887 178.479 176.600 -0.015 0.000 1.000 332 E CA 1.653 58.056 56.400 0.006 0.000 0.804 332 E CB -0.036 29.670 29.700 0.010 0.000 0.740 332 E HN 0.450 nan 8.360 nan 0.000 0.454 333 S N -0.194 115.483 115.700 -0.039 0.000 2.406 333 S HA -0.095 4.375 4.470 -0.000 0.000 0.224 333 S C 2.216 176.778 174.600 -0.064 0.000 1.030 333 S CA 0.932 59.092 58.200 -0.066 0.000 0.958 333 S CB -0.341 62.791 63.200 -0.112 0.000 0.811 333 S HN 0.285 nan 8.310 nan 0.000 0.489 334 V N 0.393 120.271 119.914 -0.059 0.000 2.626 334 V HA 0.044 4.163 4.120 -0.000 0.000 0.252 334 V C 2.446 178.523 176.094 -0.029 0.000 1.067 334 V CA 1.902 64.172 62.300 -0.049 0.000 1.081 334 V CB -1.087 30.706 31.823 -0.051 0.000 0.686 334 V HN 0.510 nan 8.190 nan 0.000 0.468 335 K N 0.719 121.108 120.400 -0.018 0.000 2.097 335 K HA -0.117 4.203 4.320 -0.000 0.000 0.205 335 K C 2.282 178.883 176.600 0.002 0.000 1.050 335 K CA 1.649 57.933 56.287 -0.005 0.000 0.938 335 K CB -0.194 32.309 32.500 0.005 0.000 0.718 335 K HN 0.571 nan 8.250 nan 0.000 0.442 336 S N 1.106 116.807 115.700 0.001 0.000 2.355 336 S HA -0.074 4.396 4.470 -0.000 0.000 0.222 336 S C 1.607 176.227 174.600 0.033 0.000 1.031 336 S CA 1.175 59.389 58.200 0.024 0.000 0.993 336 S CB -0.081 63.128 63.200 0.015 0.000 0.859 336 S HN 0.345 nan 8.310 nan 0.000 0.453 337 K N 0.844 121.234 120.400 -0.016 0.000 2.147 337 K HA -0.017 4.303 4.320 -0.000 0.000 0.205 337 K C 2.003 178.631 176.600 0.046 0.000 1.049 337 K CA 0.981 57.256 56.287 -0.021 0.000 0.936 337 K CB -0.374 32.082 32.500 -0.074 0.000 0.722 337 K HN 0.209 nan 8.250 nan 0.000 0.446 338 V N 1.825 121.742 119.914 0.004 0.000 2.307 338 V HA -0.239 3.881 4.120 -0.000 0.000 0.245 338 V C 2.250 178.318 176.094 -0.044 0.000 1.045 338 V CA 1.624 63.902 62.300 -0.037 0.000 1.024 338 V CB -0.491 31.301 31.823 -0.051 0.000 0.651 338 V HN 0.332 nan 8.190 nan 0.000 0.449 339 Q N -1.182 118.619 119.800 0.002 0.000 2.135 339 Q HA -0.262 4.078 4.340 -0.000 0.000 0.204 339 Q C 2.145 178.155 176.000 0.017 0.000 0.981 339 Q CA 2.297 58.103 55.803 0.006 0.000 0.856 339 Q CB -0.354 28.409 28.738 0.041 0.000 0.902 339 Q HN 0.801 nan 8.270 nan 0.000 0.425 340 Y N 1.873 122.151 120.300 -0.037 0.000 2.097 340 Y HA -0.279 4.270 4.550 -0.000 0.000 0.282 340 Y C 1.944 177.814 175.900 -0.049 0.000 1.152 340 Y CA 1.784 59.870 58.100 -0.024 0.000 1.136 340 Y CB -0.265 38.148 38.460 -0.078 0.000 0.975 340 Y HN 0.153 nan 8.280 nan 0.000 0.498 341 L N -0.179 121.017 121.223 -0.045 0.000 2.093 341 L HA -0.045 4.295 4.340 -0.000 0.000 0.208 341 L C 1.889 178.621 176.870 -0.230 0.000 1.085 341 L CA 1.772 56.526 54.840 -0.143 0.000 0.755 341 L CB -1.250 40.783 42.059 -0.044 0.000 0.904 341 L HN -0.043 nan 8.230 nan 0.000 0.435 342 K N 0.253 120.499 120.400 -0.256 0.000 2.148 342 K HA -0.119 4.201 4.320 -0.000 0.000 0.204 342 K C 1.634 178.172 176.600 -0.103 0.000 1.050 342 K CA 1.408 57.558 56.287 -0.229 0.000 0.942 342 K CB -0.301 32.062 32.500 -0.228 0.000 0.724 342 K HN 0.361 nan 8.250 nan 0.000 0.446 343 D N 0.166 120.472 120.400 -0.157 0.000 2.178 343 D HA -0.081 4.559 4.640 -0.000 0.000 0.202 343 D C 1.478 177.677 176.300 -0.168 0.000 0.974 343 D CA 0.857 54.772 54.000 -0.141 0.000 0.841 343 D CB 0.141 40.840 40.800 -0.168 0.000 0.953 343 D HN -0.011 nan 8.370 nan 0.000 0.478 344 R N 0.502 120.849 120.500 -0.256 0.000 2.317 344 R HA 0.123 4.463 4.340 -0.000 0.000 0.208 344 R C -0.027 176.219 176.300 -0.090 0.000 0.914 344 R CA -0.007 55.971 56.100 -0.204 0.000 1.060 344 R CB -0.062 30.059 30.300 -0.299 0.000 1.015 344 R HN 0.324 nan 8.270 nan 0.000 0.498 345 Q N 0.965 120.738 119.800 -0.046 0.000 2.443 345 Q HA -0.187 4.153 4.340 -0.000 0.000 0.337 345 Q C -0.654 175.387 176.000 0.068 0.000 1.401 345 Q CA 0.468 56.304 55.803 0.055 0.000 0.943 345 Q CB -1.634 27.130 28.738 0.042 0.000 1.177 345 Q HN 0.321 nan 8.270 nan 0.000 0.394 346 L N -1.017 120.234 121.223 0.046 0.000 2.431 346 L HA 0.427 4.767 4.340 -0.000 0.000 0.260 346 L C 1.557 178.506 176.870 0.130 0.000 1.098 346 L CA 0.228 55.095 54.840 0.045 0.000 0.800 346 L CB 0.437 42.490 42.059 -0.009 0.000 1.210 346 L HN 0.383 nan 8.230 nan 0.000 0.465 347 A N 0.698 123.565 122.820 0.078 0.000 2.125 347 A HA 0.332 4.652 4.320 -0.000 0.000 0.219 347 A C 0.923 178.563 177.584 0.093 0.000 1.156 347 A CA 1.338 53.421 52.037 0.077 0.000 0.671 347 A CB -0.542 18.457 19.000 -0.002 0.000 0.794 347 A HN 1.004 nan 8.150 nan 0.000 0.459 348 G N -3.001 105.817 108.800 0.030 0.000 2.320 348 G HA2 0.547 4.507 3.960 -0.000 0.000 0.274 348 G HA3 0.547 4.507 3.960 -0.000 0.000 0.274 348 G C -0.720 174.134 174.900 -0.077 0.000 1.324 348 G CA -0.251 44.831 45.100 -0.030 0.000 0.957 348 G HN 1.313 nan 8.290 nan 0.000 0.481 349 A N -0.287 122.492 122.820 -0.068 0.000 2.340 349 A HA 0.858 5.178 4.320 -0.000 0.000 0.331 349 A C -0.004 177.574 177.584 -0.009 0.000 1.140 349 A CA -0.366 51.655 52.037 -0.027 0.000 0.801 349 A CB 1.715 20.706 19.000 -0.016 0.000 1.234 349 A HN 1.504 nan 8.150 nan 0.000 0.469 350 M N 2.554 122.190 119.600 0.060 0.000 2.528 350 M HA 0.673 5.153 4.480 -0.000 0.000 0.321 350 M C -1.779 174.653 176.300 0.220 0.000 1.153 350 M CA -0.448 54.930 55.300 0.130 0.000 0.951 350 M CB 1.630 34.353 32.600 0.206 0.000 1.705 350 M HN 0.447 nan 8.290 nan 0.000 0.451 351 V N 3.580 123.654 119.914 0.267 0.000 2.960 351 V HA 0.672 4.792 4.120 -0.000 0.000 0.315 351 V C -1.310 175.063 176.094 0.465 0.000 1.087 351 V CA -0.647 61.827 62.300 0.289 0.000 0.982 351 V CB 2.493 34.424 31.823 0.180 0.000 1.039 351 V HN 0.907 nan 8.190 nan 0.000 0.437 352 W N 2.973 124.372 121.300 0.164 0.000 3.097 352 W HA 0.729 5.388 4.660 -0.000 0.000 0.325 352 W C -1.264 175.330 176.519 0.124 0.000 1.056 352 W CA -0.368 57.063 57.345 0.143 0.000 1.254 352 W CB 1.515 31.041 29.460 0.108 0.000 1.202 352 W HN 0.853 nan 8.180 nan 0.000 0.400 353 A N 4.664 127.341 122.820 -0.238 0.000 2.479 353 A HA 0.591 4.910 4.320 -0.000 0.000 0.296 353 A C 0.334 177.799 177.584 -0.199 0.000 1.121 353 A CA -0.690 51.068 52.037 -0.465 0.000 0.743 353 A CB 1.577 19.878 19.000 -1.166 0.000 1.323 353 A HN 0.611 nan 8.150 nan 0.000 0.415 354 L N -0.241 120.924 121.223 -0.096 0.000 2.261 354 L HA -0.170 4.170 4.340 -0.000 0.000 0.216 354 L C 1.227 178.083 176.870 -0.023 0.000 1.114 354 L CA 2.038 56.950 54.840 0.120 0.000 0.777 354 L CB -0.464 41.716 42.059 0.202 0.000 0.910 354 L HN 0.950 nan 8.230 nan 0.000 0.440 355 D N -1.806 118.412 120.400 -0.303 0.000 2.358 355 D HA 0.033 4.673 4.640 -0.000 0.000 0.224 355 D C 1.461 177.521 176.300 -0.399 0.000 1.123 355 D CA 0.146 53.793 54.000 -0.588 0.000 0.833 355 D CB 0.133 40.508 40.800 -0.708 0.000 0.946 355 D HN 0.239 nan 8.370 nan 0.000 0.505 356 L N -0.856 120.247 121.223 -0.199 0.000 2.749 356 L HA 0.221 4.561 4.340 -0.000 0.000 0.242 356 L C 0.699 177.608 176.870 0.066 0.000 1.103 356 L CA -0.233 54.561 54.840 -0.077 0.000 0.906 356 L CB 0.405 42.413 42.059 -0.086 0.000 1.228 356 L HN 0.077 nan 8.230 nan 0.000 0.517 357 D N 0.836 121.280 120.400 0.073 0.000 2.354 357 D HA -0.035 4.605 4.640 -0.000 0.000 0.247 357 D C -0.397 176.019 176.300 0.193 0.000 1.138 357 D CA -0.116 53.968 54.000 0.141 0.000 0.958 357 D CB 1.376 42.230 40.800 0.090 0.000 1.144 357 D HN -0.104 nan 8.370 nan 0.000 0.458 358 D N 1.702 122.244 120.400 0.237 0.000 2.541 358 D HA -0.057 4.583 4.640 -0.000 0.000 0.231 358 D C 1.093 177.292 176.300 -0.168 0.000 1.163 358 D CA -0.286 53.794 54.000 0.135 0.000 1.077 358 D CB -0.949 39.944 40.800 0.154 0.000 1.110 358 D HN 0.313 nan 8.370 nan 0.000 0.499 359 F N 0.988 120.549 119.950 -0.647 0.000 2.365 359 F HA -0.061 4.466 4.527 -0.000 0.000 0.300 359 F C 1.689 177.232 175.800 -0.427 0.000 1.090 359 F CA 0.524 57.836 58.000 -1.146 0.000 1.408 359 F CB -0.600 37.882 39.000 -0.865 0.000 1.060 359 F HN 0.171 nan 8.300 nan 0.000 0.534 360 Q N 1.309 120.564 119.800 -0.909 0.000 1.922 360 Q HA 0.133 4.473 4.340 -0.000 0.000 0.201 360 Q C 2.157 178.002 176.000 -0.258 0.000 0.979 360 Q CA 1.931 57.340 55.803 -0.658 0.000 0.841 360 Q CB -1.091 27.307 28.738 -0.567 0.000 0.903 360 Q HN 0.645 nan 8.270 nan 0.000 0.431 361 G N -0.267 108.450 108.800 -0.139 0.000 2.192 361 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.193 361 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.193 361 G C 0.880 175.756 174.900 -0.041 0.000 0.999 361 G CA 0.872 45.950 45.100 -0.037 0.000 0.659 361 G HN 0.417 nan 8.290 nan 0.000 0.503 362 S N -0.678 114.969 115.700 -0.088 0.000 2.475 362 S HA 0.348 4.818 4.470 -0.000 0.000 0.224 362 S C 1.798 176.288 174.600 -0.184 0.000 1.042 362 S CA 0.993 59.088 58.200 -0.176 0.000 0.935 362 S CB -0.278 62.727 63.200 -0.325 0.000 0.801 362 S HN 0.206 nan 8.310 nan 0.000 0.509 363 F N 1.956 121.828 119.950 -0.130 0.000 2.163 363 F HA 0.104 4.631 4.527 -0.000 0.000 0.297 363 F C 2.143 177.890 175.800 -0.088 0.000 1.094 363 F CA 0.352 58.297 58.000 -0.093 0.000 1.290 363 F CB -0.558 38.397 39.000 -0.075 0.000 1.017 363 F HN 0.279 nan 8.300 nan 0.000 0.483 364 c N 0.187 118.851 118.600 0.107 0.000 2.693 364 c HA 0.599 5.169 4.570 -0.000 0.000 0.286 364 c C 1.511 175.620 174.090 0.032 0.000 1.277 364 c CA -0.161 56.185 56.329 0.028 0.000 1.705 364 c CB -1.594 40.930 42.510 0.023 0.000 1.879 364 c HN 0.776 nan 8.230 nan 0.000 0.607 365 G N 0.867 109.676 108.800 0.015 0.000 2.575 365 G HA2 -0.222 3.737 3.960 -0.000 0.000 0.267 365 G HA3 -0.222 3.737 3.960 -0.000 0.000 0.267 365 G C 0.306 175.216 174.900 0.017 0.000 1.264 365 G CA 0.940 46.041 45.100 0.001 0.000 0.935 365 G HN 0.329 nan 8.290 nan 0.000 0.568 366 Q N -1.896 117.914 119.800 0.017 0.000 2.223 366 Q HA -0.211 4.128 4.340 -0.000 0.000 0.150 366 Q C 1.153 177.166 176.000 0.021 0.000 0.715 366 Q CA 3.179 58.998 55.803 0.027 0.000 1.376 366 Q CB -1.509 27.258 28.738 0.048 0.000 1.373 366 Q HN 1.559 nan 8.270 nan 0.000 0.940 367 D N -1.872 118.534 120.400 0.010 0.000 3.076 367 D HA -0.210 4.430 4.640 -0.000 0.000 0.218 367 D C -0.179 176.135 176.300 0.024 0.000 1.156 367 D CA 1.255 55.256 54.000 0.002 0.000 0.921 367 D CB -1.661 39.138 40.800 -0.002 0.000 1.113 367 D HN 0.463 nan 8.370 nan 0.000 0.418 368 L N -2.162 119.087 121.223 0.045 0.000 2.334 368 L HA 0.677 5.017 4.340 -0.000 0.000 0.272 368 L C 0.372 177.301 176.870 0.099 0.000 1.020 368 L CA -0.757 54.128 54.840 0.075 0.000 0.812 368 L CB 1.051 43.160 42.059 0.083 0.000 1.264 368 L HN -0.178 nan 8.230 nan 0.000 0.439 369 R N 1.153 121.746 120.500 0.155 0.000 2.596 369 R HA 0.531 4.871 4.340 -0.000 0.000 0.267 369 R C -0.716 175.798 176.300 0.357 0.000 1.026 369 R CA -0.793 55.446 56.100 0.231 0.000 1.087 369 R CB 0.328 30.865 30.300 0.394 0.000 1.132 369 R HN 0.691 nan 8.270 nan 0.000 0.531 370 F N 0.600 120.632 119.950 0.137 0.000 2.783 370 F HA -0.199 4.328 4.527 -0.000 0.000 0.222 370 F C -1.165 174.709 175.800 0.124 0.000 1.028 370 F CA -0.308 57.779 58.000 0.145 0.000 0.862 370 F CB -0.963 38.108 39.000 0.119 0.000 0.744 370 F HN 0.550 nan 8.300 nan 0.000 0.850 371 P HA -0.247 nan 4.420 nan 0.000 0.216 371 P C 1.700 179.077 177.300 0.129 0.000 1.154 371 P CA 1.870 65.090 63.100 0.200 0.000 0.865 371 P CB 0.208 32.070 31.700 0.271 0.000 0.789 372 L N -0.886 120.373 121.223 0.060 0.000 2.049 372 L HA -0.071 4.269 4.340 -0.000 0.000 0.203 372 L C 2.731 179.624 176.870 0.039 0.000 1.074 372 L CA 2.119 56.930 54.840 -0.048 0.000 0.749 372 L CB -1.847 40.075 42.059 -0.229 0.000 0.907 372 L HN 0.010 nan 8.230 nan 0.000 0.439 373 T N -0.491 114.133 114.554 0.117 0.000 2.759 373 T HA -0.138 4.212 4.350 -0.000 0.000 0.269 373 T C 1.696 176.461 174.700 0.108 0.000 1.042 373 T CA 1.292 63.470 62.100 0.131 0.000 1.140 373 T CB -0.286 68.709 68.868 0.212 0.000 0.864 373 T HN 0.262 nan 8.240 nan 0.000 0.455 374 N N 1.196 119.977 118.700 0.135 0.000 2.270 374 N HA 0.100 4.839 4.740 -0.000 0.000 0.181 374 N C 2.132 177.687 175.510 0.075 0.000 1.016 374 N CA 1.068 54.180 53.050 0.103 0.000 0.870 374 N CB -0.385 38.178 38.487 0.126 0.000 0.979 374 N HN 0.463 nan 8.380 nan 0.000 0.431 375 A N 1.300 124.161 122.820 0.069 0.000 1.898 375 A HA -0.013 4.307 4.320 -0.000 0.000 0.216 375 A C 2.281 179.884 177.584 0.032 0.000 1.181 375 A CA 0.696 52.761 52.037 0.046 0.000 0.620 375 A CB -0.564 18.456 19.000 0.034 0.000 0.819 375 A HN 0.169 nan 8.150 nan 0.000 0.442 376 I N -0.225 120.362 120.570 0.030 0.000 2.208 376 I HA -0.298 3.872 4.170 -0.000 0.000 0.245 376 I C 2.563 178.694 176.117 0.023 0.000 1.097 376 I CA 1.969 63.280 61.300 0.019 0.000 1.363 376 I CB -0.263 37.751 38.000 0.024 0.000 1.051 376 I HN 0.442 nan 8.210 nan 0.000 0.413 377 K N 1.119 121.543 120.400 0.039 0.000 1.984 377 K HA -0.216 4.103 4.320 -0.000 0.000 0.209 377 K C 1.732 178.358 176.600 0.043 0.000 1.046 377 K CA 1.993 58.307 56.287 0.044 0.000 0.934 377 K CB -0.132 32.398 32.500 0.051 0.000 0.717 377 K HN 0.179 nan 8.250 nan 0.000 0.438 378 D N 0.806 121.231 120.400 0.041 0.000 2.106 378 D HA -0.211 4.429 4.640 -0.000 0.000 0.191 378 D C 1.885 178.206 176.300 0.034 0.000 0.997 378 D CA 1.730 55.753 54.000 0.038 0.000 0.834 378 D CB -0.458 40.364 40.800 0.037 0.000 0.956 378 D HN 0.434 nan 8.370 nan 0.000 0.448 379 A N 0.731 123.567 122.820 0.026 0.000 1.978 379 A HA -0.141 4.179 4.320 -0.000 0.000 0.220 379 A C 2.446 180.037 177.584 0.010 0.000 1.170 379 A CA 0.913 52.959 52.037 0.016 0.000 0.636 379 A CB -0.783 18.219 19.000 0.004 0.000 0.810 379 A HN 0.218 nan 8.150 nan 0.000 0.448 380 L N -1.287 119.944 121.223 0.014 0.000 2.083 380 L HA -0.095 4.245 4.340 -0.000 0.000 0.209 380 L C 1.651 178.598 176.870 0.128 0.000 1.083 380 L CA 0.954 55.806 54.840 0.019 0.000 0.752 380 L CB -0.242 41.842 42.059 0.041 0.000 0.899 380 L HN 0.415 nan 8.230 nan 0.000 0.433 381 A N -0.062 122.822 122.820 0.107 0.000 2.937 381 A HA 0.706 5.026 4.320 -0.000 0.000 0.338 381 A C -0.413 177.213 177.584 0.069 0.000 1.273 381 A CA 0.101 52.203 52.037 0.109 0.000 0.937 381 A CB 0.029 19.079 19.000 0.082 0.000 1.133 381 A HN 0.185 nan 8.150 nan 0.000 0.491 382 A N 1.280 124.142 122.820 0.070 0.000 2.562 382 A HA 0.754 5.074 4.320 -0.000 0.000 0.305 382 A C -0.431 177.181 177.584 0.046 0.000 1.059 382 A CA 0.159 52.224 52.037 0.047 0.000 0.835 382 A CB 0.207 19.229 19.000 0.036 0.000 1.299 382 A HN 1.714 nan 8.150 nan 0.000 0.392 383 T N 0.000 114.578 114.554 0.039 0.000 3.816 383 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 383 T CA 0.000 62.121 62.100 0.035 0.000 1.349 383 T CB 0.000 68.896 68.868 0.046 0.000 0.612 383 T HN 0.000 nan 8.240 nan 0.000 0.658