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 1zbc_1_A DATA FIRST_RESID 1 DATA SEQUENCE YKLIcYYTSW SQYREGDGSC FPDAIDPFLc THVIYSFANI SNNEIDTWEW DATA SEQUENCE NDVTLYDTLN TLKNRNPNLK TLLSVGGWNF GPQRFSKIAS KTQSRRTFIK DATA SEQUENCE SVPPFLRTHG FDGLDLAWLY PGRRDKRHLT TLVKEMKAEF IREAQAGTEQ DATA SEQUENCE LLLSAAVSAG KIAIDRGYDI AQISRHLDFI SLLTYDFHGA WRQTVGHHSP DATA SEQUENCE LFRGQEDASS XRFSNADYAV SYMLRLGAPA NKLVMGIPTF GKSFTLASSK DATA SEQUENCE TDVGAPVSGP GIPGQFTKEK GILAYYEIcD FLQGATTHRF RDQQVPYATK DATA SEQUENCE GNQWVAYDDQ ESVKNKARYL KNRQLAGAMV WALDLDDFRG TFcGQNLTFP DATA SEQUENCE LTSAVKDVLA RA 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 1 Y HA 0.000 nan 4.550 nan 0.000 0.201 1 Y C 0.000 175.895 175.900 -0.008 0.000 1.272 1 Y CA 0.000 58.098 58.100 -0.003 0.000 1.940 1 Y CB 0.000 38.461 38.460 0.002 0.000 1.050 2 K N 3.549 124.013 120.400 0.107 0.000 2.350 2 K HA 0.473 4.796 4.320 0.005 0.000 0.279 2 K C -0.863 175.750 176.600 0.021 0.000 1.027 2 K CA -0.390 55.906 56.287 0.015 0.000 0.969 2 K CB 1.050 33.427 32.500 -0.206 0.000 0.954 2 K HN 0.512 nan 8.250 nan 0.000 0.474 3 L N 5.471 126.714 121.223 0.033 0.000 2.353 3 L HA 0.396 4.739 4.340 0.005 0.000 0.270 3 L C -1.178 175.701 176.870 0.014 0.000 1.003 3 L CA -0.626 54.229 54.840 0.026 0.000 0.862 3 L CB 0.690 42.770 42.059 0.035 0.000 1.221 3 L HN 0.611 nan 8.230 nan 0.000 0.430 4 I N 3.852 124.409 120.570 -0.021 0.000 2.312 4 I HA 0.269 4.442 4.170 0.005 0.000 0.290 4 I C -0.490 175.658 176.117 0.052 0.000 1.008 4 I CA -0.281 61.000 61.300 -0.031 0.000 1.226 4 I CB 1.108 39.017 38.000 -0.152 0.000 1.371 4 I HN 0.516 nan 8.210 nan 0.000 0.468 5 c N 6.034 124.644 118.600 0.017 0.000 2.319 5 c HA 0.458 5.032 4.570 0.005 0.000 0.323 5 c C -0.177 173.904 174.090 -0.015 0.000 1.277 5 c CA -1.028 55.327 56.329 0.043 0.000 1.517 5 c CB 0.003 42.512 42.510 -0.002 0.000 2.206 5 c HN 0.496 nan 8.230 nan 0.000 0.486 6 Y N 1.458 121.760 120.300 0.002 0.000 2.304 6 Y HA 0.406 4.959 4.550 0.006 0.000 0.328 6 Y C 0.054 175.774 175.900 -0.300 0.000 1.123 6 Y CA 0.181 58.199 58.100 -0.137 0.000 1.218 6 Y CB 0.516 38.842 38.460 -0.224 0.000 1.207 6 Y HN 0.723 nan 8.280 nan 0.000 0.495 7 Y N 2.811 122.933 120.300 -0.298 0.000 2.376 7 Y HA 0.478 5.032 4.550 0.005 0.000 0.340 7 Y C -0.449 175.016 175.900 -0.725 0.000 0.965 7 Y CA -1.106 56.717 58.100 -0.461 0.000 1.078 7 Y CB 1.350 39.615 38.460 -0.325 0.000 1.193 7 Y HN 0.632 nan 8.280 nan 0.000 0.452 8 T N 1.662 115.175 114.554 -1.735 0.000 2.794 8 T HA 0.262 4.615 4.350 0.005 0.000 0.280 8 T C 0.813 174.376 174.700 -1.895 0.000 0.987 8 T CA -0.445 60.549 62.100 -1.844 0.000 0.993 8 T CB 1.609 69.125 68.868 -2.254 0.000 0.939 8 T HN 0.722 nan 8.240 nan 0.000 0.449 9 S N 1.465 116.409 115.700 -1.258 0.000 2.387 9 S HA -0.107 4.366 4.470 0.005 0.000 0.230 9 S C 1.302 175.629 174.600 -0.456 0.000 1.035 9 S CA 2.013 59.830 58.200 -0.639 0.000 1.014 9 S CB -0.469 62.656 63.200 -0.125 0.000 0.836 9 S HN 0.995 nan 8.310 nan 0.000 0.466 10 W N 1.594 122.699 121.300 -0.325 0.000 3.180 10 W HA 0.242 4.905 4.660 0.005 0.000 0.254 10 W C 1.792 178.183 176.519 -0.214 0.000 1.318 10 W CA 0.451 57.733 57.345 -0.106 0.000 1.608 10 W CB -0.921 28.596 29.460 0.094 0.000 1.124 10 W HN 0.241 nan 8.180 nan 0.000 0.694 11 S N 1.023 116.297 115.700 -0.710 0.000 2.481 11 S HA -0.265 4.209 4.470 0.005 0.000 0.231 11 S C 1.796 176.127 174.600 -0.448 0.000 0.996 11 S CA 1.048 58.916 58.200 -0.552 0.000 0.942 11 S CB -0.823 61.928 63.200 -0.748 0.000 0.768 11 S HN 0.696 nan 8.310 nan 0.000 0.520 12 Q N -0.058 119.338 119.800 -0.674 0.000 2.291 12 Q HA -0.121 4.222 4.340 0.005 0.000 0.206 12 Q C 0.912 176.652 176.000 -0.433 0.000 0.976 12 Q CA 1.207 56.480 55.803 -0.883 0.000 0.875 12 Q CB -0.764 27.212 28.738 -1.271 0.000 0.927 12 Q HN 0.698 nan 8.270 nan 0.000 0.450 13 Y N 0.948 121.251 120.300 0.005 0.000 2.490 13 Y HA 0.274 4.827 4.550 0.005 0.000 0.281 13 Y C 0.378 176.364 175.900 0.143 0.000 1.174 13 Y CA -0.440 57.735 58.100 0.125 0.000 1.295 13 Y CB 0.160 38.723 38.460 0.171 0.000 1.062 13 Y HN -0.036 nan 8.280 nan 0.000 0.522 14 R N 2.418 123.058 120.500 0.233 0.000 2.389 14 R HA 0.096 4.440 4.340 0.005 0.000 0.295 14 R C 0.396 176.867 176.300 0.285 0.000 1.075 14 R CA -0.281 55.975 56.100 0.261 0.000 1.005 14 R CB 0.444 30.889 30.300 0.242 0.000 0.987 14 R HN 0.430 nan 8.270 nan 0.000 0.452 15 E N 2.005 122.382 120.200 0.295 0.000 2.408 15 E HA 0.267 4.620 4.350 0.005 0.000 0.259 15 E C 0.733 177.553 176.600 0.367 0.000 1.110 15 E CA -0.246 56.320 56.400 0.276 0.000 0.929 15 E CB 0.424 30.239 29.700 0.192 0.000 0.971 15 E HN 0.701 nan 8.360 nan 0.000 0.438 16 G N 2.552 111.527 108.800 0.292 0.000 2.582 16 G HA2 -0.385 3.578 3.960 0.005 0.000 0.288 16 G HA3 -0.385 3.578 3.960 0.005 0.000 0.288 16 G C 0.315 175.365 174.900 0.250 0.000 1.247 16 G CA 0.367 45.644 45.100 0.295 0.000 0.972 16 G HN 0.731 nan 8.290 nan 0.000 0.557 17 D N 1.140 121.658 120.400 0.197 0.000 2.309 17 D HA 0.016 4.659 4.640 0.005 0.000 0.212 17 D C 2.414 178.648 176.300 -0.110 0.000 0.968 17 D CA 1.684 55.696 54.000 0.020 0.000 0.882 17 D CB -0.873 39.907 40.800 -0.032 0.000 0.918 17 D HN 0.695 nan 8.370 nan 0.000 0.503 18 G N -0.052 108.695 108.800 -0.088 0.000 2.471 18 G HA2 -0.157 3.806 3.960 0.005 0.000 0.219 18 G HA3 -0.157 3.806 3.960 0.005 0.000 0.219 18 G C 0.876 175.902 174.900 0.211 0.000 1.125 18 G CA 0.114 45.189 45.100 -0.042 0.000 0.775 18 G HN 0.227 nan 8.290 nan 0.000 0.548 19 S N -0.527 115.308 115.700 0.224 0.000 2.544 19 S HA 0.242 4.715 4.470 0.005 0.000 0.290 19 S C -0.267 174.417 174.600 0.141 0.000 1.276 19 S CA -0.292 58.011 58.200 0.170 0.000 1.075 19 S CB 0.062 63.422 63.200 0.266 0.000 0.849 19 S HN 0.340 nan 8.310 nan 0.000 0.494 20 C N 7.354 126.554 119.300 -0.168 0.000 2.397 20 C HA 0.737 5.200 4.460 0.005 0.000 0.325 20 C C -1.114 173.701 174.990 -0.292 0.000 1.201 20 C CA -0.863 57.938 59.018 -0.362 0.000 1.377 20 C CB -0.769 26.458 27.740 -0.855 0.000 2.038 20 C HN 0.835 nan 8.230 nan 0.000 0.457 21 F N 5.443 125.330 119.950 -0.106 0.000 2.523 21 F HA 0.502 5.032 4.527 0.005 0.000 0.329 21 F C -1.420 174.216 175.800 -0.274 0.000 1.061 21 F CA -2.015 55.925 58.000 -0.101 0.000 0.967 21 F CB 1.184 40.143 39.000 -0.068 0.000 1.218 21 F HN 0.354 nan 8.300 nan 0.000 0.480 22 P HA -0.186 nan 4.420 nan 0.000 0.219 22 P C 1.042 178.234 177.300 -0.179 0.000 1.146 22 P CA 1.481 64.300 63.100 -0.468 0.000 0.808 22 P CB 0.094 31.563 31.700 -0.385 0.000 0.779 23 D N -0.010 120.354 120.400 -0.059 0.000 2.203 23 D HA -0.206 4.437 4.640 0.005 0.000 0.199 23 D C 1.660 177.978 176.300 0.030 0.000 0.997 23 D CA 1.402 55.394 54.000 -0.013 0.000 0.863 23 D CB -0.451 40.355 40.800 0.010 0.000 0.928 23 D HN 0.070 nan 8.370 nan 0.000 0.458 24 A N -0.457 122.399 122.820 0.059 0.000 2.238 24 A HA 0.183 4.506 4.320 0.005 0.000 0.208 24 A C 0.878 178.608 177.584 0.244 0.000 1.177 24 A CA -0.131 51.999 52.037 0.156 0.000 0.804 24 A CB -0.316 18.796 19.000 0.187 0.000 0.823 24 A HN 0.303 nan 8.150 nan 0.000 0.482 25 I N 1.145 121.776 120.570 0.101 0.000 2.416 25 I HA 0.056 4.229 4.170 0.005 0.000 0.288 25 I C -0.131 175.987 176.117 0.001 0.000 1.051 25 I CA -0.540 60.790 61.300 0.050 0.000 1.375 25 I CB 0.807 38.741 38.000 -0.110 0.000 1.407 25 I HN 0.083 nan 8.210 nan 0.000 0.516 26 D N 9.549 129.925 120.400 -0.039 0.000 2.382 26 D HA 0.073 4.717 4.640 0.005 0.000 0.259 26 D C -1.654 174.585 176.300 -0.101 0.000 1.224 26 D CA -1.934 52.060 54.000 -0.009 0.000 0.894 26 D CB 1.394 42.194 40.800 -0.001 0.000 1.127 26 D HN 0.212 nan 8.370 nan 0.000 0.487 27 P HA -0.049 nan 4.420 nan 0.000 0.222 27 P C 0.551 177.519 177.300 -0.552 0.000 1.147 27 P CA 0.876 63.751 63.100 -0.375 0.000 0.790 27 P CB 0.015 31.392 31.700 -0.538 0.000 0.780 28 F N -2.549 117.362 119.950 -0.066 0.000 2.695 28 F HA 0.181 4.711 4.527 0.005 0.000 0.303 28 F C 1.861 177.621 175.800 -0.066 0.000 1.091 28 F CA -0.227 57.740 58.000 -0.055 0.000 1.300 28 F CB -0.571 38.409 39.000 -0.033 0.000 1.071 28 F HN -0.187 nan 8.300 nan 0.000 0.578 29 L N -0.255 120.968 121.223 -0.000 0.000 1.988 29 L HA -0.027 4.316 4.340 0.005 0.000 0.207 29 L C 0.860 177.694 176.870 -0.060 0.000 1.071 29 L CA 1.439 56.242 54.840 -0.062 0.000 0.744 29 L CB -0.217 41.698 42.059 -0.240 0.000 0.893 29 L HN 0.063 nan 8.230 nan 0.000 0.433 30 c N -1.423 117.119 118.600 -0.097 0.000 2.401 30 c HA 0.460 5.033 4.570 0.005 0.000 0.356 30 c C 1.995 176.057 174.090 -0.047 0.000 1.192 30 c CA 0.017 56.312 56.329 -0.057 0.000 2.028 30 c CB 1.310 43.779 42.510 -0.069 0.000 2.344 30 c HN 0.624 nan 8.230 nan 0.000 0.525 31 T N -1.917 112.643 114.554 0.010 0.000 3.035 31 T HA 0.060 4.413 4.350 0.005 0.000 0.259 31 T C 0.138 174.740 174.700 -0.164 0.000 1.078 31 T CA 1.038 63.127 62.100 -0.019 0.000 1.132 31 T CB -0.206 68.719 68.868 0.095 0.000 0.900 31 T HN 0.790 nan 8.240 nan 0.000 0.480 32 H N -0.319 118.701 119.070 -0.083 0.000 2.759 32 H HA 0.707 5.267 4.556 0.005 0.000 0.354 32 H C -1.393 173.897 175.328 -0.063 0.000 1.074 32 H CA -0.803 55.209 56.048 -0.061 0.000 1.226 32 H CB 2.088 31.811 29.762 -0.065 0.000 1.648 32 H HN 0.029 nan 8.280 nan 0.000 0.529 33 V N 4.717 124.664 119.914 0.054 0.000 2.448 33 V HA 0.377 4.500 4.120 0.005 0.000 0.295 33 V C -0.087 176.037 176.094 0.051 0.000 1.025 33 V CA -0.594 61.715 62.300 0.015 0.000 0.859 33 V CB 1.505 33.319 31.823 -0.014 0.000 0.988 33 V HN 0.643 nan 8.190 nan 0.000 0.431 34 I N 4.567 125.108 120.570 -0.049 0.000 2.378 34 I HA 0.377 4.550 4.170 0.005 0.000 0.291 34 I C -0.937 175.207 176.117 0.046 0.000 0.992 34 I CA -0.726 60.531 61.300 -0.071 0.000 1.154 34 I CB 1.546 39.275 38.000 -0.452 0.000 1.315 34 I HN 0.601 nan 8.210 nan 0.000 0.448 35 Y N 5.308 125.631 120.300 0.039 0.000 2.336 35 Y HA 0.274 4.828 4.550 0.006 0.000 0.335 35 Y C 0.163 176.057 175.900 -0.010 0.000 1.046 35 Y CA 0.157 58.318 58.100 0.101 0.000 1.198 35 Y CB 1.165 39.761 38.460 0.227 0.000 1.182 35 Y HN 0.479 nan 8.280 nan 0.000 0.502 36 S N 6.881 122.348 115.700 -0.389 0.000 2.438 36 S HA 0.557 5.030 4.470 0.005 0.000 0.316 36 S C -1.801 172.485 174.600 -0.523 0.000 1.084 36 S CA -0.427 57.386 58.200 -0.645 0.000 1.107 36 S CB -0.163 62.392 63.200 -1.075 0.000 0.981 36 S HN 0.590 nan 8.310 nan 0.000 0.466 37 F N -0.227 119.824 119.950 0.169 0.000 2.191 37 F HA -0.083 4.447 4.527 0.005 0.000 0.518 37 F C 0.247 176.210 175.800 0.273 0.000 1.282 37 F CA -0.599 57.445 58.000 0.073 0.000 1.660 37 F CB -2.012 36.869 39.000 -0.198 0.000 2.643 37 F HN 0.591 nan 8.300 nan 0.000 0.727 38 A N 1.329 124.468 122.820 0.532 0.000 2.302 38 A HA 0.758 5.081 4.320 0.005 0.000 0.285 38 A C 0.353 178.259 177.584 0.536 0.000 1.105 38 A CA -0.268 52.070 52.037 0.502 0.000 0.816 38 A CB 0.974 20.161 19.000 0.311 0.000 1.067 38 A HN 0.617 nan 8.150 nan 0.000 0.489 39 N N -0.494 118.515 118.700 0.516 0.000 2.502 39 N HA 0.634 5.377 4.740 0.005 0.000 0.280 39 N C -1.118 174.483 175.510 0.152 0.000 1.223 39 N CA -0.556 52.744 53.050 0.418 0.000 0.966 39 N CB 0.828 39.444 38.487 0.215 0.000 1.203 39 N HN 0.488 nan 8.380 nan 0.000 0.565 40 I N 0.704 121.352 120.570 0.130 0.000 2.439 40 I HA 0.286 4.459 4.170 0.005 0.000 0.285 40 I C -0.685 175.401 176.117 -0.052 0.000 1.021 40 I CA -0.465 60.815 61.300 -0.032 0.000 1.091 40 I CB 1.661 39.531 38.000 -0.216 0.000 1.242 40 I HN 0.228 nan 8.210 nan 0.000 0.439 41 S N 3.912 119.582 115.700 -0.050 0.000 2.521 41 S HA 0.359 4.832 4.470 0.005 0.000 0.295 41 S C 0.112 174.689 174.600 -0.039 0.000 1.098 41 S CA -0.667 57.498 58.200 -0.058 0.000 0.999 41 S CB 1.506 64.680 63.200 -0.043 0.000 1.034 41 S HN 0.817 nan 8.310 nan 0.000 0.483 42 N N 2.721 121.392 118.700 -0.047 0.000 2.708 42 N HA -0.203 4.541 4.740 0.005 0.000 0.249 42 N C -0.390 175.111 175.510 -0.014 0.000 1.097 42 N CA 0.536 53.569 53.050 -0.028 0.000 0.710 42 N CB -1.079 37.402 38.487 -0.011 0.000 1.032 42 N HN 0.678 nan 8.380 nan 0.000 0.551 43 N N -1.662 117.018 118.700 -0.033 0.000 2.782 43 N HA -0.169 4.574 4.740 0.005 0.000 0.251 43 N C -1.043 174.522 175.510 0.090 0.000 1.101 43 N CA 1.519 54.563 53.050 -0.009 0.000 0.764 43 N CB -0.883 37.606 38.487 0.004 0.000 1.122 43 N HN 0.713 nan 8.380 nan 0.000 0.561 44 E N 0.057 120.300 120.200 0.071 0.000 2.288 44 E HA 0.436 4.789 4.350 0.005 0.000 0.268 44 E C 0.120 176.763 176.600 0.072 0.000 0.885 44 E CA -0.908 55.560 56.400 0.114 0.000 0.767 44 E CB 2.321 32.048 29.700 0.045 0.000 1.220 44 E HN 0.176 nan 8.360 nan 0.000 0.427 45 I N 1.687 122.306 120.570 0.082 0.000 2.872 45 I HA -0.047 4.126 4.170 0.005 0.000 0.291 45 I C -0.372 175.491 176.117 -0.423 0.000 1.216 45 I CA 1.159 62.401 61.300 -0.097 0.000 1.424 45 I CB 0.369 38.257 38.000 -0.187 0.000 1.351 45 I HN 0.551 nan 8.210 nan 0.000 0.592 46 D N 3.058 123.269 120.400 -0.315 0.000 2.671 46 D HA 0.274 4.917 4.640 0.005 0.000 0.273 46 D C -1.030 175.354 176.300 0.141 0.000 1.264 46 D CA -0.112 53.785 54.000 -0.171 0.000 0.788 46 D CB 1.475 42.265 40.800 -0.018 0.000 1.324 46 D HN 0.629 nan 8.370 nan 0.000 0.424 47 T N -1.536 113.205 114.554 0.312 0.000 2.813 47 T HA 0.148 4.501 4.350 0.005 0.000 0.297 47 T C 0.403 175.326 174.700 0.371 0.000 1.036 47 T CA -0.298 62.035 62.100 0.388 0.000 1.044 47 T CB 1.038 70.057 68.868 0.251 0.000 0.993 47 T HN 0.524 nan 8.240 nan 0.000 0.535 48 W N 0.314 121.758 121.300 0.240 0.000 3.517 48 W HA 0.255 4.918 4.660 0.005 0.000 0.234 48 W C 0.067 176.732 176.519 0.243 0.000 0.972 48 W CA 0.106 57.602 57.345 0.252 0.000 2.002 48 W CB 0.145 29.805 29.460 0.334 0.000 1.018 48 W HN 0.594 nan 8.180 nan 0.000 0.712 49 E N 1.681 122.251 120.200 0.616 0.000 2.319 49 E HA 0.004 4.358 4.350 0.005 0.000 0.268 49 E C 1.418 178.179 176.600 0.269 0.000 1.050 49 E CA -0.126 56.567 56.400 0.489 0.000 0.878 49 E CB 0.178 30.108 29.700 0.383 0.000 1.066 49 E HN 0.309 nan 8.360 nan 0.000 0.406 50 W N 3.461 124.899 121.300 0.229 0.000 2.342 50 W HA -0.167 4.496 4.660 0.005 0.000 0.297 50 W C 0.609 177.201 176.519 0.121 0.000 1.213 50 W CA 1.247 58.684 57.345 0.152 0.000 1.251 50 W CB -0.675 28.874 29.460 0.147 0.000 1.136 50 W HN 0.384 nan 8.180 nan 0.000 0.526 51 N N 0.640 118.743 118.700 -0.996 0.000 2.251 51 N HA -0.051 4.693 4.740 0.005 0.000 0.217 51 N C 0.549 175.770 175.510 -0.483 0.000 1.124 51 N CA 0.262 52.774 53.050 -0.896 0.000 0.843 51 N CB -0.747 36.854 38.487 -1.477 0.000 1.024 51 N HN -0.096 nan 8.380 nan 0.000 0.501 52 D N 0.770 120.952 120.400 -0.364 0.000 2.116 52 D HA -0.167 4.476 4.640 0.005 0.000 0.193 52 D C 2.064 177.799 176.300 -0.942 0.000 0.998 52 D CA 1.552 55.226 54.000 -0.543 0.000 0.836 52 D CB -0.038 40.448 40.800 -0.523 0.000 0.951 52 D HN 0.291 nan 8.370 nan 0.000 0.449 53 V N -0.705 118.801 119.914 -0.680 0.000 2.594 53 V HA -0.175 3.948 4.120 0.005 0.000 0.253 53 V C 2.030 177.953 176.094 -0.286 0.000 1.069 53 V CA 2.085 64.050 62.300 -0.558 0.000 1.082 53 V CB -0.818 30.878 31.823 -0.211 0.000 0.680 53 V HN 0.030 nan 8.190 nan 0.000 0.469 54 T N 1.213 115.619 114.554 -0.246 0.000 2.821 54 T HA 0.047 4.400 4.350 0.005 0.000 0.267 54 T C 1.812 176.444 174.700 -0.114 0.000 1.046 54 T CA 2.046 64.059 62.100 -0.144 0.000 1.139 54 T CB -0.315 68.469 68.868 -0.140 0.000 0.871 54 T HN 0.496 nan 8.240 nan 0.000 0.454 55 L N -0.386 120.751 121.223 -0.144 0.000 2.156 55 L HA -0.032 4.311 4.340 0.005 0.000 0.208 55 L C 2.429 179.305 176.870 0.010 0.000 1.095 55 L CA 1.052 55.889 54.840 -0.004 0.000 0.770 55 L CB -0.662 41.482 42.059 0.141 0.000 0.914 55 L HN 0.240 nan 8.230 nan 0.000 0.439 56 Y N 0.602 120.768 120.300 -0.225 0.000 2.128 56 Y HA -0.318 4.235 4.550 0.005 0.000 0.284 56 Y C 2.490 178.230 175.900 -0.268 0.000 1.154 56 Y CA 1.432 59.350 58.100 -0.302 0.000 1.149 56 Y CB -0.986 37.306 38.460 -0.280 0.000 0.976 56 Y HN 0.311 nan 8.280 nan 0.000 0.505 57 D N -0.915 119.479 120.400 -0.009 0.000 2.117 57 D HA -0.134 4.509 4.640 0.005 0.000 0.198 57 D C 1.915 178.169 176.300 -0.077 0.000 0.982 57 D CA 1.936 55.902 54.000 -0.057 0.000 0.828 57 D CB -0.046 40.733 40.800 -0.034 0.000 0.967 57 D HN 0.222 nan 8.370 nan 0.000 0.464 58 T N 0.206 114.725 114.554 -0.058 0.000 2.788 58 T HA -0.125 4.228 4.350 0.005 0.000 0.268 58 T C 1.775 176.423 174.700 -0.086 0.000 1.044 58 T CA 1.011 63.074 62.100 -0.061 0.000 1.139 58 T CB -0.338 68.510 68.868 -0.034 0.000 0.867 58 T HN 0.127 nan 8.240 nan 0.000 0.454 59 L N 1.703 122.874 121.223 -0.087 0.000 2.027 59 L HA 0.018 4.361 4.340 0.005 0.000 0.206 59 L C 1.759 178.537 176.870 -0.154 0.000 1.074 59 L CA 1.816 56.590 54.840 -0.111 0.000 0.745 59 L CB -0.794 41.246 42.059 -0.031 0.000 0.898 59 L HN 0.181 nan 8.230 nan 0.000 0.433 60 N N -1.353 117.223 118.700 -0.207 0.000 2.453 60 N HA -0.149 4.594 4.740 0.005 0.000 0.183 60 N C 1.440 176.845 175.510 -0.174 0.000 1.041 60 N CA 1.137 54.042 53.050 -0.243 0.000 0.900 60 N CB -0.110 38.167 38.487 -0.349 0.000 0.961 60 N HN 0.617 nan 8.380 nan 0.000 0.443 61 T N -1.156 113.315 114.554 -0.138 0.000 3.035 61 T HA 0.033 4.386 4.350 0.005 0.000 0.268 61 T C 1.667 176.298 174.700 -0.115 0.000 1.109 61 T CA 0.393 62.426 62.100 -0.111 0.000 1.119 61 T CB -0.298 68.518 68.868 -0.086 0.000 0.900 61 T HN 0.143 nan 8.240 nan 0.000 0.503 62 L N 0.150 121.293 121.223 -0.134 0.000 2.191 62 L HA -0.027 4.317 4.340 0.005 0.000 0.212 62 L C 2.728 179.488 176.870 -0.183 0.000 1.103 62 L CA 1.327 56.075 54.840 -0.154 0.000 0.769 62 L CB -0.497 41.458 42.059 -0.173 0.000 0.908 62 L HN 0.285 nan 8.230 nan 0.000 0.438 63 K N -0.137 120.161 120.400 -0.170 0.000 2.360 63 K HA -0.101 4.222 4.320 0.005 0.000 0.201 63 K C 1.667 178.189 176.600 -0.131 0.000 1.046 63 K CA 0.666 56.854 56.287 -0.166 0.000 0.945 63 K CB -0.135 32.273 32.500 -0.152 0.000 0.750 63 K HN 0.298 nan 8.250 nan 0.000 0.464 64 N N 0.777 119.411 118.700 -0.109 0.000 2.331 64 N HA -0.076 4.668 4.740 0.005 0.000 0.180 64 N C 1.365 176.843 175.510 -0.054 0.000 1.019 64 N CA 0.937 53.943 53.050 -0.073 0.000 0.881 64 N CB 0.145 38.596 38.487 -0.060 0.000 0.972 64 N HN 0.251 nan 8.380 nan 0.000 0.435 65 R N -0.245 120.208 120.500 -0.078 0.000 2.156 65 R HA 0.113 4.456 4.340 0.005 0.000 0.207 65 R C 0.086 176.337 176.300 -0.083 0.000 1.040 65 R CA 0.287 56.372 56.100 -0.025 0.000 1.013 65 R CB 0.093 30.385 30.300 -0.014 0.000 0.931 65 R HN 0.019 nan 8.270 nan 0.000 0.465 66 N N 0.856 119.372 118.700 -0.305 0.000 2.682 66 N HA 0.183 4.926 4.740 0.005 0.000 0.252 66 N C -2.417 172.963 175.510 -0.217 0.000 1.081 66 N CA -2.285 50.529 53.050 -0.393 0.000 0.844 66 N CB 1.630 39.553 38.487 -0.940 0.000 1.167 66 N HN -0.229 nan 8.380 nan 0.000 0.523 67 P HA 0.050 nan 4.420 nan 0.000 0.230 67 P C 0.518 177.762 177.300 -0.093 0.000 1.158 67 P CA 0.683 63.730 63.100 -0.089 0.000 0.769 67 P CB 0.374 32.046 31.700 -0.047 0.000 0.807 68 N N -0.940 117.703 118.700 -0.095 0.000 2.412 68 N HA 0.008 4.751 4.740 0.005 0.000 0.184 68 N C 0.490 175.906 175.510 -0.157 0.000 1.101 68 N CA 0.106 53.098 53.050 -0.097 0.000 0.881 68 N CB -0.149 38.306 38.487 -0.054 0.000 0.969 68 N HN 0.159 nan 8.380 nan 0.000 0.459 69 L N 2.245 123.351 121.223 -0.195 0.000 2.455 69 L HA 0.065 4.408 4.340 0.005 0.000 0.272 69 L C -0.158 176.581 176.870 -0.218 0.000 1.174 69 L CA 0.665 55.367 54.840 -0.229 0.000 0.869 69 L CB 0.287 42.195 42.059 -0.252 0.000 1.130 69 L HN -0.134 nan 8.230 nan 0.000 0.474 70 K N 3.788 124.016 120.400 -0.287 0.000 2.164 70 K HA 0.488 4.812 4.320 0.005 0.000 0.258 70 K C -0.143 176.411 176.600 -0.076 0.000 0.951 70 K CA -0.491 55.671 56.287 -0.208 0.000 0.844 70 K CB 1.924 34.240 32.500 -0.307 0.000 1.099 70 K HN 0.724 nan 8.250 nan 0.000 0.435 71 T N -0.409 114.159 114.554 0.023 0.000 2.885 71 T HA 0.753 5.106 4.350 0.005 0.000 0.285 71 T C -0.286 174.590 174.700 0.292 0.000 1.019 71 T CA -0.874 61.316 62.100 0.151 0.000 1.010 71 T CB 1.098 70.035 68.868 0.115 0.000 1.022 71 T HN 0.226 nan 8.240 nan 0.000 0.466 72 L N 1.481 122.879 121.223 0.291 0.000 2.371 72 L HA 0.695 5.038 4.340 0.005 0.000 0.262 72 L C -1.095 175.723 176.870 -0.086 0.000 1.006 72 L CA -0.981 53.952 54.840 0.156 0.000 0.818 72 L CB 2.151 44.295 42.059 0.141 0.000 1.354 72 L HN 0.668 nan 8.230 nan 0.000 0.415 73 L N 0.943 121.931 121.223 -0.391 0.000 2.296 73 L HA 0.656 4.999 4.340 0.005 0.000 0.286 73 L C -0.157 176.673 176.870 -0.067 0.000 1.023 73 L CA 0.223 54.748 54.840 -0.526 0.000 0.812 73 L CB 1.669 43.157 42.059 -0.953 0.000 1.223 73 L HN 0.572 nan 8.230 nan 0.000 0.421 74 S N 4.015 119.783 115.700 0.113 0.000 2.480 74 S HA 0.710 5.183 4.470 0.005 0.000 0.286 74 S C -0.694 174.127 174.600 0.368 0.000 1.180 74 S CA -0.653 57.724 58.200 0.294 0.000 1.075 74 S CB 0.606 64.091 63.200 0.475 0.000 0.996 74 S HN 0.463 nan 8.310 nan 0.000 0.487 75 V N 4.275 124.356 119.914 0.279 0.000 2.472 75 V HA 0.927 5.050 4.120 0.005 0.000 0.290 75 V C 1.213 177.301 176.094 -0.010 0.000 1.037 75 V CA 0.194 62.585 62.300 0.153 0.000 0.908 75 V CB 0.150 32.053 31.823 0.134 0.000 0.985 75 V HN 1.271 nan 8.190 nan 0.000 0.454 76 G N 2.471 111.053 108.800 -0.364 0.000 2.785 76 G HA2 0.477 4.440 3.960 0.005 0.000 0.218 76 G HA3 0.477 4.440 3.960 0.005 0.000 0.218 76 G C 0.397 174.799 174.900 -0.831 0.000 1.251 76 G CA 0.008 44.702 45.100 -0.677 0.000 1.129 76 G HN 2.645 nan 8.290 nan 0.000 0.573 77 G N -2.399 105.721 108.800 -1.134 0.000 2.655 77 G HA2 0.050 4.013 3.960 0.005 0.000 0.680 77 G HA3 0.050 4.013 3.960 0.005 0.000 0.680 77 G C 0.717 175.144 174.900 -0.788 0.000 1.302 77 G CA 0.539 44.547 45.100 -1.820 0.000 0.872 77 G HN 1.311 nan 8.290 nan 0.000 0.540 78 W N -0.083 120.990 121.300 -0.377 0.000 2.381 78 W HA -0.052 4.611 4.660 0.007 0.000 0.301 78 W C 2.109 178.577 176.519 -0.085 0.000 1.205 78 W CA 1.424 58.664 57.345 -0.176 0.000 1.285 78 W CB -0.439 28.940 29.460 -0.135 0.000 1.133 78 W HN 0.503 nan 8.180 nan 0.000 0.521 79 N N -0.052 118.744 118.700 0.160 0.000 2.521 79 N HA -0.056 4.688 4.740 0.005 0.000 0.188 79 N C -0.369 175.309 175.510 0.281 0.000 1.146 79 N CA 0.415 53.576 53.050 0.186 0.000 0.893 79 N CB -0.652 37.949 38.487 0.190 0.000 0.975 79 N HN -0.099 nan 8.380 nan 0.000 0.451 80 F N 0.858 120.845 119.950 0.061 0.000 2.405 80 F HA 0.493 5.023 4.527 0.005 0.000 0.355 80 F C 0.961 176.747 175.800 -0.023 0.000 1.121 80 F CA -1.239 56.788 58.000 0.046 0.000 1.112 80 F CB 0.768 39.747 39.000 -0.036 0.000 1.126 80 F HN -0.081 nan 8.300 nan 0.000 0.481 81 G N 7.097 115.715 108.800 -0.305 0.000 2.334 81 G HA2 0.220 4.183 3.960 0.005 0.000 0.261 81 G HA3 0.220 4.183 3.960 0.005 0.000 0.261 81 G C -2.037 172.853 174.900 -0.017 0.000 1.257 81 G CA -1.032 43.980 45.100 -0.146 0.000 0.935 81 G HN 0.562 nan 8.290 nan 0.000 0.480 82 P HA -0.126 nan 4.420 nan 0.000 0.220 82 P C 1.470 178.863 177.300 0.155 0.000 1.148 82 P CA 0.896 64.140 63.100 0.240 0.000 0.803 82 P CB 0.333 32.241 31.700 0.346 0.000 0.782 83 Q N 0.039 119.881 119.800 0.070 0.000 2.096 83 Q HA -0.130 4.213 4.340 0.005 0.000 0.204 83 Q C 2.236 178.199 176.000 -0.062 0.000 0.982 83 Q CA 1.473 57.291 55.803 0.025 0.000 0.850 83 Q CB -0.997 27.733 28.738 -0.015 0.000 0.901 83 Q HN 0.268 nan 8.270 nan 0.000 0.422 84 R N -0.582 119.821 120.500 -0.162 0.000 2.091 84 R HA -0.132 4.211 4.340 0.005 0.000 0.238 84 R C 2.053 178.218 176.300 -0.225 0.000 1.136 84 R CA 1.404 57.341 56.100 -0.271 0.000 0.959 84 R CB -0.453 29.485 30.300 -0.603 0.000 0.856 84 R HN 0.200 nan 8.270 nan 0.000 0.437 85 F N 0.860 120.642 119.950 -0.280 0.000 2.134 85 F HA -0.187 4.343 4.527 0.005 0.000 0.299 85 F C 2.755 178.058 175.800 -0.829 0.000 1.097 85 F CA 1.386 58.948 58.000 -0.731 0.000 1.264 85 F CB -0.642 37.434 39.000 -1.539 0.000 1.001 85 F HN -0.066 nan 8.300 nan 0.000 0.479 86 S N -0.316 115.228 115.700 -0.260 0.000 2.370 86 S HA -0.221 4.252 4.470 0.005 0.000 0.226 86 S C 2.124 176.706 174.600 -0.030 0.000 1.033 86 S CA 1.562 59.777 58.200 0.026 0.000 1.011 86 S CB -0.220 63.106 63.200 0.210 0.000 0.852 86 S HN 0.371 nan 8.310 nan 0.000 0.457 87 K N 0.460 120.810 120.400 -0.083 0.000 2.097 87 K HA 0.063 4.386 4.320 0.005 0.000 0.205 87 K C 2.036 178.568 176.600 -0.114 0.000 1.050 87 K CA 1.229 57.460 56.287 -0.093 0.000 0.938 87 K CB -0.208 32.231 32.500 -0.101 0.000 0.718 87 K HN 0.424 nan 8.250 nan 0.000 0.442 88 I N 0.969 121.447 120.570 -0.153 0.000 2.202 88 I HA -0.217 3.956 4.170 0.005 0.000 0.242 88 I C 2.489 178.563 176.117 -0.072 0.000 1.091 88 I CA 1.239 62.449 61.300 -0.150 0.000 1.368 88 I CB -0.608 37.216 38.000 -0.292 0.000 1.058 88 I HN 0.110 nan 8.210 nan 0.000 0.410 89 A N 0.123 122.918 122.820 -0.042 0.000 2.014 89 A HA -0.098 4.225 4.320 0.005 0.000 0.218 89 A C 2.461 180.022 177.584 -0.039 0.000 1.163 89 A CA 1.389 53.463 52.037 0.061 0.000 0.652 89 A CB -0.488 18.644 19.000 0.220 0.000 0.808 89 A HN 0.349 nan 8.150 nan 0.000 0.449 90 S N -0.194 115.388 115.700 -0.198 0.000 2.399 90 S HA -0.052 4.421 4.470 0.005 0.000 0.231 90 S C 0.755 175.187 174.600 -0.281 0.000 1.022 90 S CA 1.023 58.912 58.200 -0.518 0.000 0.983 90 S CB -0.100 62.877 63.200 -0.372 0.000 0.803 90 S HN 0.569 nan 8.310 nan 0.000 0.480 91 K N 1.636 121.957 120.400 -0.131 0.000 2.293 91 K HA 0.212 4.535 4.320 0.005 0.000 0.267 91 K C 1.200 177.784 176.600 -0.026 0.000 1.010 91 K CA -0.060 56.186 56.287 -0.069 0.000 0.875 91 K CB 1.395 33.862 32.500 -0.055 0.000 1.106 91 K HN 0.210 nan 8.250 nan 0.000 0.450 92 T N -0.252 114.298 114.554 -0.008 0.000 2.685 92 T HA -0.305 4.048 4.350 0.005 0.000 0.268 92 T C 1.765 176.474 174.700 0.015 0.000 1.034 92 T CA 1.430 63.538 62.100 0.014 0.000 1.149 92 T CB -0.057 68.822 68.868 0.017 0.000 0.860 92 T HN 0.421 nan 8.240 nan 0.000 0.449 93 Q N 1.575 121.379 119.800 0.007 0.000 2.016 93 Q HA -0.029 4.314 4.340 0.005 0.000 0.200 93 Q C 2.737 178.747 176.000 0.017 0.000 0.978 93 Q CA 2.208 58.017 55.803 0.009 0.000 0.833 93 Q CB -0.550 28.189 28.738 0.002 0.000 0.895 93 Q HN 0.838 nan 8.270 nan 0.000 0.427 94 S N -0.251 115.453 115.700 0.007 0.000 2.402 94 S HA -0.144 4.329 4.470 0.005 0.000 0.229 94 S C 1.875 176.509 174.600 0.058 0.000 1.021 94 S CA 1.055 59.262 58.200 0.012 0.000 0.974 94 S CB -0.301 62.884 63.200 -0.026 0.000 0.800 94 S HN 0.341 nan 8.310 nan 0.000 0.484 95 R N 1.544 122.080 120.500 0.060 0.000 2.075 95 R HA 0.074 4.417 4.340 0.005 0.000 0.232 95 R C 2.669 179.041 176.300 0.120 0.000 1.126 95 R CA 0.982 57.153 56.100 0.118 0.000 0.963 95 R CB -0.214 30.140 30.300 0.089 0.000 0.858 95 R HN 0.362 nan 8.270 nan 0.000 0.435 96 R N -0.303 120.236 120.500 0.065 0.000 2.092 96 R HA -0.082 4.261 4.340 0.005 0.000 0.231 96 R C 1.713 178.038 176.300 0.042 0.000 1.119 96 R CA 1.935 58.058 56.100 0.038 0.000 0.970 96 R CB -0.211 30.103 30.300 0.023 0.000 0.864 96 R HN 0.266 nan 8.270 nan 0.000 0.440 97 T N 0.985 115.576 114.554 0.061 0.000 2.708 97 T HA -0.177 4.176 4.350 0.005 0.000 0.266 97 T C 1.337 176.095 174.700 0.097 0.000 1.037 97 T CA 1.521 63.660 62.100 0.065 0.000 1.146 97 T CB -0.425 68.480 68.868 0.061 0.000 0.865 97 T HN 0.243 nan 8.240 nan 0.000 0.435 98 F N 1.821 121.762 119.950 -0.016 0.000 2.095 98 F HA -0.060 4.471 4.527 0.005 0.000 0.298 98 F C 1.980 177.783 175.800 0.005 0.000 1.104 98 F CA 0.738 58.725 58.000 -0.022 0.000 1.232 98 F CB -0.772 38.207 39.000 -0.036 0.000 0.987 98 F HN 0.105 nan 8.300 nan 0.000 0.475 99 I N 0.386 120.829 120.570 -0.211 0.000 2.163 99 I HA -0.337 3.836 4.170 0.005 0.000 0.243 99 I C 2.325 178.347 176.117 -0.158 0.000 1.085 99 I CA 1.363 62.494 61.300 -0.281 0.000 1.347 99 I CB -0.507 37.413 38.000 -0.134 0.000 1.044 99 I HN 0.019 nan 8.210 nan 0.000 0.408 100 K N 0.636 120.999 120.400 -0.062 0.000 2.209 100 K HA -0.098 4.225 4.320 0.005 0.000 0.204 100 K C 2.135 178.735 176.600 -0.001 0.000 1.048 100 K CA 1.628 57.909 56.287 -0.010 0.000 0.940 100 K CB -0.623 31.884 32.500 0.011 0.000 0.729 100 K HN 0.452 nan 8.250 nan 0.000 0.451 101 S N -0.062 115.621 115.700 -0.029 0.000 2.522 101 S HA -0.012 4.461 4.470 0.005 0.000 0.227 101 S C 2.013 176.625 174.600 0.020 0.000 0.986 101 S CA 0.338 58.543 58.200 0.009 0.000 0.929 101 S CB -0.206 63.002 63.200 0.014 0.000 0.769 101 S HN -0.048 nan 8.310 nan 0.000 0.529 102 V N 2.801 122.692 119.914 -0.039 0.000 2.273 102 V HA 0.035 4.158 4.120 0.005 0.000 0.242 102 V C -0.390 175.789 176.094 0.142 0.000 1.035 102 V CA 1.305 63.624 62.300 0.033 0.000 1.013 102 V CB -1.506 30.299 31.823 -0.030 0.000 0.652 102 V HN 0.341 nan 8.190 nan 0.000 0.452 103 P HA -0.123 nan 4.420 nan 0.000 0.214 103 P C -1.423 175.909 177.300 0.052 0.000 1.163 103 P CA 2.149 65.269 63.100 0.033 0.000 0.889 103 P CB -1.363 30.360 31.700 0.038 0.000 0.790 104 P HA -0.169 nan 4.420 nan 0.000 0.215 104 P C 1.544 178.907 177.300 0.106 0.000 1.153 104 P CA 1.108 64.251 63.100 0.071 0.000 0.853 104 P CB -0.534 31.217 31.700 0.085 0.000 0.788 105 F N -0.051 119.924 119.950 0.042 0.000 2.102 105 F HA -0.168 4.362 4.527 0.005 0.000 0.298 105 F C 1.931 177.809 175.800 0.129 0.000 1.105 105 F CA 1.322 59.388 58.000 0.109 0.000 1.239 105 F CB -0.893 38.196 39.000 0.148 0.000 0.991 105 F HN -0.258 nan 8.300 nan 0.000 0.474 106 L N 0.116 121.479 121.223 0.234 0.000 2.046 106 L HA -0.188 4.155 4.340 0.005 0.000 0.208 106 L C 2.483 179.370 176.870 0.029 0.000 1.077 106 L CA 1.628 56.560 54.840 0.153 0.000 0.747 106 L CB -1.169 40.934 42.059 0.073 0.000 0.896 106 L HN 0.002 nan 8.230 nan 0.000 0.432 107 R N -1.241 119.238 120.500 -0.035 0.000 2.075 107 R HA -0.082 4.261 4.340 0.005 0.000 0.232 107 R C 2.262 178.467 176.300 -0.159 0.000 1.126 107 R CA 1.604 57.652 56.100 -0.087 0.000 0.963 107 R CB -0.816 29.441 30.300 -0.071 0.000 0.858 107 R HN 0.277 nan 8.270 nan 0.000 0.435 108 T N -0.104 114.306 114.554 -0.240 0.000 2.720 108 T HA -0.125 4.229 4.350 0.005 0.000 0.268 108 T C 1.013 175.385 174.700 -0.547 0.000 1.037 108 T CA 1.395 63.243 62.100 -0.420 0.000 1.144 108 T CB -0.222 68.290 68.868 -0.594 0.000 0.864 108 T HN 0.344 nan 8.240 nan 0.000 0.444 109 H N -0.464 118.476 119.070 -0.218 0.000 2.551 109 H HA 0.353 4.912 4.556 0.005 0.000 0.271 109 H C 1.791 176.896 175.328 -0.372 0.000 0.984 109 H CA 0.534 56.443 56.048 -0.231 0.000 1.164 109 H CB 0.207 29.851 29.762 -0.197 0.000 1.437 109 H HN 0.522 nan 8.280 nan 0.000 0.550 110 G N 0.866 109.524 108.800 -0.237 0.000 2.132 110 G HA2 -0.252 3.711 3.960 0.005 0.000 0.228 110 G HA3 -0.252 3.711 3.960 0.005 0.000 0.228 110 G C -0.264 174.405 174.900 -0.385 0.000 1.000 110 G CA -0.304 44.618 45.100 -0.297 0.000 0.693 110 G HN 0.162 nan 8.290 nan 0.000 0.515 111 F N 0.614 120.486 119.950 -0.130 0.000 2.371 111 F HA 0.447 4.977 4.527 0.005 0.000 0.329 111 F C 1.286 177.026 175.800 -0.099 0.000 1.107 111 F CA -0.568 57.362 58.000 -0.116 0.000 1.137 111 F CB 0.930 39.856 39.000 -0.124 0.000 1.214 111 F HN -0.011 nan 8.300 nan 0.000 0.536 112 D N 1.012 121.493 120.400 0.136 0.000 2.349 112 D HA 0.270 4.913 4.640 0.005 0.000 0.214 112 D C 0.700 177.022 176.300 0.035 0.000 1.063 112 D CA 0.433 54.459 54.000 0.043 0.000 0.847 112 D CB 0.675 41.493 40.800 0.031 0.000 0.933 112 D HN 0.658 nan 8.370 nan 0.000 0.513 113 G N 0.461 109.302 108.800 0.068 0.000 2.322 113 G HA2 0.357 4.320 3.960 0.005 0.000 0.295 113 G HA3 0.357 4.320 3.960 0.005 0.000 0.295 113 G C -2.325 172.613 174.900 0.064 0.000 1.369 113 G CA -0.840 44.278 45.100 0.030 0.000 0.821 113 G HN 0.046 nan 8.290 nan 0.000 0.536 114 L N 0.426 121.734 121.223 0.142 0.000 2.346 114 L HA 0.824 5.167 4.340 0.005 0.000 0.276 114 L C -1.117 175.828 176.870 0.125 0.000 1.006 114 L CA -0.638 54.296 54.840 0.157 0.000 0.817 114 L CB 2.074 44.316 42.059 0.304 0.000 1.272 114 L HN 0.630 nan 8.230 nan 0.000 0.421 115 D N 3.869 124.337 120.400 0.114 0.000 2.344 115 D HA 0.387 5.030 4.640 0.005 0.000 0.239 115 D C -1.158 175.247 176.300 0.174 0.000 1.064 115 D CA -0.175 53.895 54.000 0.117 0.000 0.829 115 D CB 1.015 41.906 40.800 0.153 0.000 1.129 115 D HN 0.521 nan 8.370 nan 0.000 0.506 116 L N 3.085 124.391 121.223 0.138 0.000 2.281 116 L HA 0.568 4.911 4.340 0.005 0.000 0.285 116 L C 0.292 177.229 176.870 0.111 0.000 1.074 116 L CA -0.718 54.207 54.840 0.142 0.000 0.817 116 L CB 1.376 43.492 42.059 0.094 0.000 1.168 116 L HN 0.576 nan 8.230 nan 0.000 0.434 117 A N 4.318 127.193 122.820 0.092 0.000 3.218 117 A HA 0.164 4.487 4.320 0.005 0.000 0.321 117 A C -0.821 176.692 177.584 -0.118 0.000 1.012 117 A CA -0.457 51.566 52.037 -0.024 0.000 0.948 117 A CB -0.067 18.921 19.000 -0.020 0.000 1.050 117 A HN 0.725 nan 8.150 nan 0.000 0.492 118 W N 3.223 124.272 121.300 -0.418 0.000 2.507 118 W HA 0.383 5.046 4.660 0.005 0.000 0.334 118 W C -0.968 175.318 176.519 -0.389 0.000 1.165 118 W CA -1.009 55.998 57.345 -0.562 0.000 1.460 118 W CB 0.193 29.078 29.460 -0.959 0.000 1.404 118 W HN 0.369 nan 8.180 nan 0.000 0.435 119 L N 9.510 130.685 121.223 -0.080 0.000 2.399 119 L HA 0.128 4.471 4.340 0.005 0.000 0.257 119 L C -0.718 175.837 176.870 -0.525 0.000 1.236 119 L CA -0.196 54.212 54.840 -0.719 0.000 1.144 119 L CB -1.068 40.348 42.059 -1.072 0.000 1.379 119 L HN 0.454 nan 8.230 nan 0.000 0.414 120 Y N 0.360 120.650 120.300 -0.017 0.000 2.901 120 Y HA -0.133 4.420 4.550 0.005 0.000 0.036 120 Y C -2.436 173.286 175.900 -0.297 0.000 2.288 120 Y CA -1.359 56.658 58.100 -0.138 0.000 1.148 120 Y CB -1.158 37.303 38.460 0.001 0.000 1.854 120 Y HN 0.411 nan 8.280 nan 0.000 0.286 121 P HA 0.271 nan 4.420 nan 0.000 0.275 121 P C 0.617 177.685 177.300 -0.386 0.000 1.228 121 P CA 0.281 62.893 63.100 -0.814 0.000 0.786 121 P CB 1.011 31.848 31.700 -1.438 0.000 0.927 122 G N 1.171 109.865 108.800 -0.176 0.000 2.537 122 G HA2 0.157 4.121 3.960 0.005 0.000 0.297 122 G HA3 0.157 4.121 3.960 0.005 0.000 0.297 122 G C 0.832 175.651 174.900 -0.136 0.000 1.310 122 G CA -0.581 44.458 45.100 -0.103 0.000 1.027 122 G HN 0.444 nan 8.290 nan 0.000 0.505 123 R N -0.599 119.849 120.500 -0.086 0.000 2.127 123 R HA -0.053 4.290 4.340 0.005 0.000 0.238 123 R C 2.396 178.652 176.300 -0.072 0.000 1.134 123 R CA 1.147 57.197 56.100 -0.083 0.000 0.975 123 R CB -0.146 30.122 30.300 -0.052 0.000 0.865 123 R HN 0.502 nan 8.270 nan 0.000 0.447 124 R N -0.189 120.294 120.500 -0.029 0.000 2.236 124 R HA -0.022 4.321 4.340 0.005 0.000 0.208 124 R C 1.025 177.347 176.300 0.036 0.000 1.036 124 R CA 0.973 57.080 56.100 0.011 0.000 1.001 124 R CB 0.144 30.481 30.300 0.062 0.000 0.896 124 R HN 0.339 nan 8.270 nan 0.000 0.464 125 D N 0.414 120.819 120.400 0.009 0.000 2.346 125 D HA -0.074 4.569 4.640 0.005 0.000 0.206 125 D C 1.475 177.668 176.300 -0.177 0.000 1.001 125 D CA 0.294 54.323 54.000 0.048 0.000 0.871 125 D CB 0.153 40.950 40.800 -0.004 0.000 0.943 125 D HN 0.143 nan 8.370 nan 0.000 0.518 126 K N 1.745 121.995 120.400 -0.250 0.000 2.052 126 K HA -0.243 4.080 4.320 0.005 0.000 0.215 126 K C 2.139 178.601 176.600 -0.230 0.000 1.053 126 K CA 1.283 57.405 56.287 -0.275 0.000 0.934 126 K CB 0.057 32.434 32.500 -0.205 0.000 0.717 126 K HN -0.058 nan 8.250 nan 0.000 0.450 127 R N -0.412 119.924 120.500 -0.274 0.000 2.096 127 R HA -0.140 4.203 4.340 0.005 0.000 0.235 127 R C 2.055 178.217 176.300 -0.230 0.000 1.127 127 R CA 1.614 57.543 56.100 -0.285 0.000 0.968 127 R CB -0.226 29.838 30.300 -0.394 0.000 0.861 127 R HN 0.488 nan 8.270 nan 0.000 0.440 128 H N 0.305 119.386 119.070 0.019 0.000 2.462 128 H HA -0.077 4.482 4.556 0.005 0.000 0.292 128 H C 2.060 177.457 175.328 0.115 0.000 1.049 128 H CA 0.680 56.781 56.048 0.087 0.000 1.334 128 H CB -0.130 29.727 29.762 0.159 0.000 1.404 128 H HN 0.206 nan 8.280 nan 0.000 0.544 129 L N 0.538 121.823 121.223 0.104 0.000 2.017 129 L HA -0.165 4.178 4.340 0.005 0.000 0.208 129 L C 2.041 178.931 176.870 0.032 0.000 1.073 129 L CA 1.486 56.344 54.840 0.030 0.000 0.745 129 L CB -0.431 41.455 42.059 -0.289 0.000 0.894 129 L HN 0.199 nan 8.230 nan 0.000 0.432 130 T N -0.646 113.903 114.554 -0.009 0.000 2.684 130 T HA -0.201 4.152 4.350 0.005 0.000 0.267 130 T C 1.751 176.459 174.700 0.014 0.000 1.036 130 T CA 2.088 64.194 62.100 0.008 0.000 1.148 130 T CB -0.337 68.526 68.868 -0.008 0.000 0.863 130 T HN 0.419 nan 8.240 nan 0.000 0.436 131 T N 2.334 116.908 114.554 0.033 0.000 2.684 131 T HA -0.082 4.271 4.350 0.005 0.000 0.267 131 T C 1.893 176.609 174.700 0.026 0.000 1.036 131 T CA 1.098 63.218 62.100 0.033 0.000 1.148 131 T CB -0.531 68.394 68.868 0.094 0.000 0.863 131 T HN 0.140 nan 8.240 nan 0.000 0.436 132 L N 1.275 122.551 121.223 0.088 0.000 2.042 132 L HA -0.063 4.281 4.340 0.005 0.000 0.210 132 L C 2.410 179.288 176.870 0.014 0.000 1.076 132 L CA 1.575 56.476 54.840 0.101 0.000 0.749 132 L CB -0.758 41.428 42.059 0.211 0.000 0.893 132 L HN 0.087 nan 8.230 nan 0.000 0.432 133 V N -0.376 119.538 119.914 -0.000 0.000 2.307 133 V HA -0.276 3.847 4.120 0.005 0.000 0.245 133 V C 2.623 178.610 176.094 -0.179 0.000 1.045 133 V CA 1.968 64.237 62.300 -0.052 0.000 1.024 133 V CB -0.631 31.202 31.823 0.017 0.000 0.651 133 V HN 0.446 nan 8.190 nan 0.000 0.449 134 K N -0.128 120.117 120.400 -0.260 0.000 2.009 134 K HA -0.234 4.089 4.320 0.005 0.000 0.210 134 K C 2.187 178.585 176.600 -0.337 0.000 1.049 134 K CA 2.054 58.020 56.287 -0.535 0.000 0.929 134 K CB -0.205 32.064 32.500 -0.385 0.000 0.714 134 K HN 0.543 nan 8.250 nan 0.000 0.440 135 E N 0.139 120.220 120.200 -0.198 0.000 2.152 135 E HA -0.163 4.190 4.350 0.005 0.000 0.192 135 E C 1.913 178.396 176.600 -0.194 0.000 0.983 135 E CA 0.782 57.094 56.400 -0.147 0.000 0.818 135 E CB 0.005 29.658 29.700 -0.078 0.000 0.758 135 E HN 0.156 nan 8.360 nan 0.000 0.467 136 M N 1.283 120.733 119.600 -0.250 0.000 2.086 136 M HA -0.169 4.314 4.480 0.005 0.000 0.261 136 M C 2.016 177.938 176.300 -0.630 0.000 1.067 136 M CA 1.658 56.689 55.300 -0.449 0.000 1.116 136 M CB 0.026 32.361 32.600 -0.443 0.000 1.348 136 M HN -0.221 nan 8.290 nan 0.000 0.407 137 K N 0.200 120.349 120.400 -0.418 0.000 2.057 137 K HA 0.040 4.363 4.320 0.005 0.000 0.207 137 K C 1.821 178.346 176.600 -0.125 0.000 1.049 137 K CA 1.838 57.966 56.287 -0.264 0.000 0.931 137 K CB -0.811 31.625 32.500 -0.106 0.000 0.714 137 K HN 0.399 nan 8.250 nan 0.000 0.440 138 A N 0.448 123.189 122.820 -0.132 0.000 1.940 138 A HA -0.189 4.134 4.320 0.005 0.000 0.219 138 A C 2.125 179.702 177.584 -0.012 0.000 1.176 138 A CA 2.049 54.054 52.037 -0.054 0.000 0.631 138 A CB -0.660 18.299 19.000 -0.068 0.000 0.814 138 A HN 0.508 nan 8.150 nan 0.000 0.446 139 E N -0.796 119.376 120.200 -0.047 0.000 2.106 139 E HA -0.125 4.228 4.350 0.005 0.000 0.192 139 E C 1.512 178.241 176.600 0.215 0.000 0.984 139 E CA 1.159 57.582 56.400 0.039 0.000 0.806 139 E CB -0.353 29.343 29.700 -0.006 0.000 0.750 139 E HN 0.505 nan 8.360 nan 0.000 0.458 140 F N 0.285 120.227 119.950 -0.014 0.000 2.234 140 F HA 0.014 4.544 4.527 0.005 0.000 0.299 140 F C 2.063 177.867 175.800 0.006 0.000 1.087 140 F CA 0.517 58.515 58.000 -0.003 0.000 1.340 140 F CB -0.618 38.383 39.000 0.002 0.000 1.031 140 F HN 0.113 nan 8.300 nan 0.000 0.500 141 I N -0.637 120.050 120.570 0.195 0.000 2.252 141 I HA -0.265 3.908 4.170 0.005 0.000 0.245 141 I C 2.629 178.796 176.117 0.083 0.000 1.102 141 I CA 0.986 62.355 61.300 0.115 0.000 1.385 141 I CB -0.298 37.752 38.000 0.082 0.000 1.064 141 I HN -0.036 nan 8.210 nan 0.000 0.414 142 R N 0.654 121.201 120.500 0.078 0.000 2.073 142 R HA -0.192 4.152 4.340 0.005 0.000 0.234 142 R C 2.367 178.700 176.300 0.054 0.000 1.134 142 R CA 1.354 57.487 56.100 0.055 0.000 0.952 142 R CB -0.178 30.151 30.300 0.048 0.000 0.850 142 R HN 0.213 nan 8.270 nan 0.000 0.433 143 E N 0.135 120.380 120.200 0.074 0.000 2.204 143 E HA -0.144 4.209 4.350 0.005 0.000 0.195 143 E C 1.428 178.040 176.600 0.021 0.000 0.990 143 E CA 1.159 57.587 56.400 0.047 0.000 0.821 143 E CB 0.051 29.782 29.700 0.052 0.000 0.750 143 E HN 0.418 nan 8.360 nan 0.000 0.477 144 A N 0.548 123.385 122.820 0.028 0.000 2.119 144 A HA -0.133 4.190 4.320 0.005 0.000 0.217 144 A C 1.953 179.544 177.584 0.012 0.000 1.153 144 A CA 0.750 52.794 52.037 0.013 0.000 0.692 144 A CB -0.313 18.701 19.000 0.024 0.000 0.799 144 A HN 0.259 nan 8.150 nan 0.000 0.458 145 Q N -0.597 119.214 119.800 0.018 0.000 2.364 145 Q HA -0.059 4.284 4.340 0.005 0.000 0.209 145 Q C 1.929 177.933 176.000 0.007 0.000 0.977 145 Q CA 1.017 56.828 55.803 0.014 0.000 0.885 145 Q CB -0.314 28.434 28.738 0.017 0.000 0.941 145 Q HN 0.691 nan 8.270 nan 0.000 0.464 146 A N -0.286 122.536 122.820 0.004 0.000 2.235 146 A HA 0.265 4.588 4.320 0.005 0.000 0.208 146 A C 1.480 179.060 177.584 -0.006 0.000 1.172 146 A CA 0.797 52.833 52.037 -0.002 0.000 0.786 146 A CB -0.305 18.692 19.000 -0.004 0.000 0.804 146 A HN 0.451 nan 8.150 nan 0.000 0.479 147 G N -1.695 107.102 108.800 -0.005 0.000 2.175 147 G HA2 -0.197 3.767 3.960 0.005 0.000 0.244 147 G HA3 -0.197 3.767 3.960 0.005 0.000 0.244 147 G C 0.481 175.373 174.900 -0.014 0.000 0.982 147 G CA 0.651 45.746 45.100 -0.008 0.000 0.641 147 G HN 1.201 nan 8.290 nan 0.000 0.527 148 T N -0.324 114.219 114.554 -0.019 0.000 2.945 148 T HA 0.555 4.908 4.350 0.005 0.000 0.286 148 T C 0.335 175.019 174.700 -0.027 0.000 1.025 148 T CA 0.381 62.464 62.100 -0.028 0.000 1.039 148 T CB 1.519 70.364 68.868 -0.038 0.000 1.068 148 T HN 0.470 nan 8.240 nan 0.000 0.497 149 E N 2.453 122.635 120.200 -0.030 0.000 2.480 149 E HA 0.003 4.356 4.350 0.005 0.000 0.258 149 E C 0.178 176.758 176.600 -0.032 0.000 0.984 149 E CA 0.052 56.438 56.400 -0.023 0.000 0.930 149 E CB 0.338 30.024 29.700 -0.023 0.000 0.936 149 E HN 0.608 nan 8.360 nan 0.000 0.466 150 Q N 4.148 123.941 119.800 -0.012 0.000 2.308 150 Q HA -0.040 4.303 4.340 0.005 0.000 0.313 150 Q C -0.528 175.444 176.000 -0.047 0.000 1.075 150 Q CA -0.046 55.750 55.803 -0.011 0.000 0.995 150 Q CB 0.440 29.203 28.738 0.040 0.000 1.107 150 Q HN 0.592 nan 8.270 nan 0.000 0.380 151 L N 4.691 125.811 121.223 -0.171 0.000 2.485 151 L HA 0.037 4.380 4.340 0.005 0.000 0.275 151 L C 0.092 176.922 176.870 -0.066 0.000 1.207 151 L CA -0.022 54.634 54.840 -0.306 0.000 0.855 151 L CB 0.152 41.608 42.059 -1.005 0.000 1.114 151 L HN 0.592 nan 8.230 nan 0.000 0.485 152 L N 3.742 124.980 121.223 0.025 0.000 2.375 152 L HA 0.356 4.700 4.340 0.005 0.000 0.271 152 L C -0.378 176.628 176.870 0.225 0.000 1.107 152 L CA -0.450 54.480 54.840 0.150 0.000 0.806 152 L CB 1.276 43.445 42.059 0.184 0.000 1.146 152 L HN 0.380 nan 8.230 nan 0.000 0.447 153 L N 2.809 124.139 121.223 0.179 0.000 2.376 153 L HA 0.559 4.902 4.340 0.005 0.000 0.275 153 L C -0.235 176.557 176.870 -0.130 0.000 0.987 153 L CA 0.164 55.078 54.840 0.123 0.000 0.828 153 L CB 1.613 43.739 42.059 0.110 0.000 1.249 153 L HN 0.717 nan 8.230 nan 0.000 0.409 154 S N 3.529 119.101 115.700 -0.214 0.000 2.667 154 S HA 1.040 5.513 4.470 0.005 0.000 0.292 154 S C -0.777 173.731 174.600 -0.153 0.000 1.126 154 S CA -0.270 57.672 58.200 -0.430 0.000 0.881 154 S CB 1.935 64.554 63.200 -0.969 0.000 1.132 154 S HN 1.171 nan 8.310 nan 0.000 0.492 155 A N 0.171 122.928 122.820 -0.105 0.000 2.520 155 A HA 0.875 5.198 4.320 0.005 0.000 0.298 155 A C -0.471 177.162 177.584 0.081 0.000 1.051 155 A CA -0.529 51.521 52.037 0.022 0.000 0.690 155 A CB 1.239 20.257 19.000 0.029 0.000 1.281 155 A HN 1.762 nan 8.150 nan 0.000 0.402 156 A N 1.330 124.224 122.820 0.125 0.000 2.289 156 A HA 0.646 4.970 4.320 0.005 0.000 0.298 156 A C -0.476 177.144 177.584 0.060 0.000 1.208 156 A CA -0.305 51.808 52.037 0.126 0.000 0.845 156 A CB 0.254 19.332 19.000 0.129 0.000 1.125 156 A HN 1.281 nan 8.150 nan 0.000 0.517 157 V N 2.245 122.159 119.914 -0.001 0.000 2.604 157 V HA 0.431 4.555 4.120 0.005 0.000 0.305 157 V C 0.779 176.792 176.094 -0.135 0.000 1.043 157 V CA -0.610 61.607 62.300 -0.139 0.000 0.888 157 V CB 1.902 33.512 31.823 -0.355 0.000 0.995 157 V HN 1.038 nan 8.190 nan 0.000 0.429 158 S N 2.963 118.610 115.700 -0.089 0.000 2.563 158 S HA 0.262 4.735 4.470 0.005 0.000 0.284 158 S C 1.113 175.608 174.600 -0.175 0.000 1.331 158 S CA 0.338 58.481 58.200 -0.095 0.000 1.047 158 S CB 1.058 64.156 63.200 -0.170 0.000 0.859 158 S HN 1.149 nan 8.310 nan 0.000 0.514 159 A N 3.847 126.569 122.820 -0.164 0.000 2.308 159 A HA 0.438 4.761 4.320 0.005 0.000 0.217 159 A C 1.024 178.664 177.584 0.095 0.000 1.216 159 A CA 0.230 52.239 52.037 -0.047 0.000 0.864 159 A CB -0.452 18.497 19.000 -0.084 0.000 0.902 159 A HN 0.985 nan 8.150 nan 0.000 0.499 160 G N -0.111 108.684 108.800 -0.009 0.000 2.349 160 G HA2 0.330 4.293 3.960 0.005 0.000 0.281 160 G HA3 0.330 4.293 3.960 0.005 0.000 0.281 160 G C 0.813 175.731 174.900 0.030 0.000 1.182 160 G CA -0.390 44.747 45.100 0.061 0.000 0.899 160 G HN 0.092 nan 8.290 nan 0.000 0.455 161 K N 2.457 122.875 120.400 0.031 0.000 2.052 161 K HA -0.187 4.136 4.320 0.005 0.000 0.215 161 K C 2.280 178.818 176.600 -0.103 0.000 1.053 161 K CA 1.442 57.651 56.287 -0.130 0.000 0.934 161 K CB -0.232 31.995 32.500 -0.455 0.000 0.717 161 K HN 0.671 nan 8.250 nan 0.000 0.450 162 I N 0.374 120.880 120.570 -0.107 0.000 2.226 162 I HA -0.270 3.903 4.170 0.005 0.000 0.245 162 I C 2.428 178.517 176.117 -0.047 0.000 1.100 162 I CA 1.142 62.392 61.300 -0.083 0.000 1.374 162 I CB -0.317 37.632 38.000 -0.086 0.000 1.057 162 I HN 0.163 nan 8.210 nan 0.000 0.413 163 A N 1.007 123.793 122.820 -0.058 0.000 1.902 163 A HA -0.172 4.151 4.320 0.005 0.000 0.217 163 A C 2.281 179.940 177.584 0.126 0.000 1.181 163 A CA 1.441 53.453 52.037 -0.041 0.000 0.623 163 A CB -0.744 18.152 19.000 -0.172 0.000 0.818 163 A HN 0.367 nan 8.150 nan 0.000 0.443 164 I N -0.168 120.475 120.570 0.121 0.000 2.142 164 I HA -0.239 3.934 4.170 0.005 0.000 0.240 164 I C 1.875 178.115 176.117 0.205 0.000 1.078 164 I CA 1.583 63.002 61.300 0.197 0.000 1.343 164 I CB -0.488 37.581 38.000 0.115 0.000 1.046 164 I HN 0.233 nan 8.210 nan 0.000 0.405 165 D N 0.329 120.809 120.400 0.133 0.000 2.178 165 D HA -0.193 4.450 4.640 0.005 0.000 0.201 165 D C 2.174 178.491 176.300 0.028 0.000 0.980 165 D CA 0.961 55.012 54.000 0.085 0.000 0.842 165 D CB -0.282 40.552 40.800 0.056 0.000 0.948 165 D HN 0.287 nan 8.370 nan 0.000 0.472 166 R N 0.166 120.670 120.500 0.008 0.000 2.062 166 R HA -0.040 4.303 4.340 0.005 0.000 0.229 166 R C 1.844 178.075 176.300 -0.115 0.000 1.128 166 R CA 1.645 57.716 56.100 -0.048 0.000 0.960 166 R CB -0.182 30.083 30.300 -0.059 0.000 0.855 166 R HN 0.193 nan 8.270 nan 0.000 0.432 167 G N -1.315 107.375 108.800 -0.185 0.000 3.062 167 G HA2 0.122 4.085 3.960 0.005 0.000 0.228 167 G HA3 0.122 4.085 3.960 0.005 0.000 0.228 167 G C -0.519 174.015 174.900 -0.610 0.000 1.094 167 G CA -0.252 44.559 45.100 -0.482 0.000 0.782 167 G HN 0.170 nan 8.290 nan 0.000 0.541 168 Y N 0.277 120.486 120.300 -0.152 0.000 2.376 168 Y HA 0.435 4.988 4.550 0.005 0.000 0.340 168 Y C -0.993 174.841 175.900 -0.111 0.000 0.965 168 Y CA -1.531 56.484 58.100 -0.142 0.000 1.078 168 Y CB 2.172 40.560 38.460 -0.119 0.000 1.193 168 Y HN -0.121 nan 8.280 nan 0.000 0.452 169 D N 4.043 124.467 120.400 0.039 0.000 2.518 169 D HA 0.179 4.822 4.640 0.005 0.000 0.230 169 D C 0.888 177.192 176.300 0.008 0.000 1.138 169 D CA 0.033 54.034 54.000 0.002 0.000 0.964 169 D CB 0.400 41.187 40.800 -0.023 0.000 1.011 169 D HN 0.461 nan 8.370 nan 0.000 0.517 170 I N 2.085 122.648 120.570 -0.011 0.000 2.163 170 I HA -0.250 3.923 4.170 0.005 0.000 0.243 170 I C 2.319 178.403 176.117 -0.055 0.000 1.085 170 I CA 0.866 62.139 61.300 -0.044 0.000 1.347 170 I CB -1.305 36.633 38.000 -0.104 0.000 1.044 170 I HN 0.354 nan 8.210 nan 0.000 0.408 171 A N 0.257 123.038 122.820 -0.066 0.000 1.940 171 A HA -0.226 4.097 4.320 0.005 0.000 0.219 171 A C 2.255 179.803 177.584 -0.061 0.000 1.176 171 A CA 1.439 53.436 52.037 -0.067 0.000 0.631 171 A CB -0.449 18.512 19.000 -0.065 0.000 0.814 171 A HN 0.463 nan 8.150 nan 0.000 0.446 172 Q N -0.347 119.432 119.800 -0.035 0.000 2.062 172 Q HA -0.090 4.254 4.340 0.005 0.000 0.196 172 Q C 2.277 178.280 176.000 0.005 0.000 0.967 172 Q CA 1.630 57.425 55.803 -0.013 0.000 0.832 172 Q CB -0.489 28.267 28.738 0.029 0.000 0.899 172 Q HN 0.949 nan 8.270 nan 0.000 0.442 173 I N -1.885 118.705 120.570 0.033 0.000 2.546 173 I HA -0.092 4.082 4.170 0.005 0.000 0.255 173 I C 2.028 178.150 176.117 0.008 0.000 1.163 173 I CA 0.909 62.253 61.300 0.073 0.000 1.457 173 I CB -0.362 37.679 38.000 0.069 0.000 1.092 173 I HN -0.153 nan 8.210 nan 0.000 0.434 174 S N 2.009 117.686 115.700 -0.039 0.000 2.400 174 S HA -0.169 4.304 4.470 0.005 0.000 0.232 174 S C 2.044 176.585 174.600 -0.098 0.000 1.025 174 S CA 1.867 60.034 58.200 -0.055 0.000 0.993 174 S CB -0.469 62.695 63.200 -0.060 0.000 0.808 174 S HN 0.645 nan 8.310 nan 0.000 0.478 175 R N 0.434 120.809 120.500 -0.208 0.000 2.189 175 R HA 0.034 4.377 4.340 0.005 0.000 0.218 175 R C 1.152 177.236 176.300 -0.360 0.000 1.074 175 R CA 1.165 57.081 56.100 -0.306 0.000 0.991 175 R CB -0.543 29.519 30.300 -0.396 0.000 0.883 175 R HN 0.492 nan 8.270 nan 0.000 0.457 176 H N 0.490 119.554 119.070 -0.009 0.000 2.595 176 H HA 0.299 4.858 4.556 0.005 0.000 0.265 176 H C 0.613 175.933 175.328 -0.013 0.000 0.953 176 H CA -0.036 56.005 56.048 -0.012 0.000 1.197 176 H CB 0.446 30.192 29.762 -0.026 0.000 1.438 176 H HN 0.047 nan 8.280 nan 0.000 0.531 177 L N 1.419 122.679 121.223 0.062 0.000 2.357 177 L HA 0.109 4.452 4.340 0.005 0.000 0.273 177 L C 1.142 178.020 176.870 0.013 0.000 1.080 177 L CA -0.409 54.440 54.840 0.014 0.000 0.803 177 L CB 1.338 43.386 42.059 -0.017 0.000 1.174 177 L HN -0.032 nan 8.230 nan 0.000 0.443 178 D N 1.682 122.076 120.400 -0.011 0.000 2.194 178 D HA 0.021 4.664 4.640 0.005 0.000 0.204 178 D C -0.150 176.259 176.300 0.181 0.000 0.964 178 D CA 1.400 55.447 54.000 0.079 0.000 0.846 178 D CB 0.336 41.212 40.800 0.126 0.000 0.962 178 D HN 0.337 nan 8.370 nan 0.000 0.490 179 F N -1.156 118.809 119.950 0.025 0.000 2.693 179 F HA 0.544 5.074 4.527 0.005 0.000 0.309 179 F C -1.572 174.244 175.800 0.027 0.000 1.129 179 F CA -1.372 56.633 58.000 0.008 0.000 0.948 179 F CB 1.076 40.058 39.000 -0.030 0.000 1.315 179 F HN -0.389 nan 8.300 nan 0.000 0.447 180 I N 2.047 122.744 120.570 0.212 0.000 2.466 180 I HA 0.374 4.547 4.170 0.005 0.000 0.289 180 I C -0.750 175.489 176.117 0.203 0.000 1.026 180 I CA -0.789 60.584 61.300 0.122 0.000 1.078 180 I CB 2.197 40.226 38.000 0.048 0.000 1.249 180 I HN 0.625 nan 8.210 nan 0.000 0.429 181 S N 6.710 122.543 115.700 0.221 0.000 2.452 181 S HA 0.465 4.939 4.470 0.005 0.000 0.284 181 S C -0.214 174.466 174.600 0.133 0.000 1.171 181 S CA -0.519 57.828 58.200 0.245 0.000 1.064 181 S CB 0.852 64.273 63.200 0.369 0.000 0.967 181 S HN 0.382 nan 8.310 nan 0.000 0.484 182 L N 4.346 125.632 121.223 0.105 0.000 2.265 182 L HA 0.337 4.681 4.340 0.005 0.000 0.288 182 L C -0.195 176.655 176.870 -0.034 0.000 1.058 182 L CA -0.460 54.396 54.840 0.026 0.000 0.809 182 L CB 0.637 42.727 42.059 0.051 0.000 1.179 182 L HN 0.589 nan 8.230 nan 0.000 0.429 183 L N 4.514 125.640 121.223 -0.163 0.000 2.533 183 L HA 0.057 4.401 4.340 0.005 0.000 0.239 183 L C 0.894 177.388 176.870 -0.627 0.000 1.376 183 L CA -0.173 54.377 54.840 -0.482 0.000 1.240 183 L CB -0.672 41.145 42.059 -0.403 0.000 1.487 183 L HN 0.656 nan 8.230 nan 0.000 0.419 184 T N -2.601 111.744 114.554 -0.349 0.000 3.820 184 T HA 0.084 4.438 4.350 0.005 0.000 0.224 184 T C 0.309 174.990 174.700 -0.033 0.000 0.869 184 T CA -0.245 61.759 62.100 -0.159 0.000 0.932 184 T CB -0.812 68.156 68.868 0.168 0.000 1.259 184 T HN 0.522 nan 8.240 nan 0.000 0.676 185 Y N -2.041 118.225 120.300 -0.057 0.000 2.863 185 Y HA 0.561 5.114 4.550 0.005 0.000 0.254 185 Y C -0.199 175.838 175.900 0.227 0.000 1.124 185 Y CA -1.809 56.372 58.100 0.136 0.000 1.203 185 Y CB -0.282 38.300 38.460 0.204 0.000 1.269 185 Y HN 0.296 nan 8.280 nan 0.000 0.586 186 D N 0.299 120.701 120.400 0.003 0.000 2.945 186 D HA 0.278 4.921 4.640 0.005 0.000 0.366 186 D C -0.478 175.931 176.300 0.183 0.000 1.352 186 D CA -0.297 53.817 54.000 0.190 0.000 0.810 186 D CB -0.433 40.462 40.800 0.159 0.000 1.170 186 D HN 0.186 nan 8.370 nan 0.000 0.461 187 F N 0.461 120.660 119.950 0.416 0.000 2.660 187 F HA 0.302 4.832 4.527 0.005 0.000 0.302 187 F C 0.642 176.778 175.800 0.558 0.000 1.103 187 F CA 0.040 58.276 58.000 0.394 0.000 1.340 187 F CB 0.018 39.176 39.000 0.264 0.000 1.048 187 F HN 0.211 nan 8.300 nan 0.000 0.551 188 H N -0.848 118.568 119.070 0.577 0.000 3.093 188 H HA 0.479 5.038 4.556 0.005 0.000 0.312 188 H C -0.842 174.265 175.328 -0.368 0.000 1.213 188 H CA -0.275 55.917 56.048 0.239 0.000 1.366 188 H CB 1.577 31.502 29.762 0.271 0.000 1.998 188 H HN 0.042 nan 8.280 nan 0.000 0.522 189 G N 1.852 109.815 108.800 -1.396 0.000 3.163 189 G HA2 0.562 4.525 3.960 0.005 0.000 0.266 189 G HA3 0.562 4.525 3.960 0.005 0.000 0.266 189 G C 0.587 175.048 174.900 -0.732 0.000 3.692 189 G CA 0.541 45.244 45.100 -0.662 0.000 0.490 189 G HN 1.417 nan 8.290 nan 0.000 0.318 190 A N 1.094 123.908 122.820 -0.009 0.000 4.159 190 A HA -0.257 4.066 4.320 0.005 0.000 0.263 190 A C 1.777 179.368 177.584 0.012 0.000 0.889 190 A CA 2.364 54.484 52.037 0.139 0.000 1.227 190 A CB -2.536 16.493 19.000 0.048 0.000 1.051 190 A HN 1.749 nan 8.150 nan 0.000 0.820 191 W N -0.762 120.584 121.300 0.077 0.000 2.721 191 W HA 0.298 4.962 4.660 0.006 0.000 0.245 191 W C 0.867 177.370 176.519 -0.027 0.000 1.276 191 W CA 0.352 57.707 57.345 0.017 0.000 1.342 191 W CB -0.322 29.139 29.460 0.003 0.000 1.135 191 W HN 0.265 nan 8.180 nan 0.000 0.654 192 R N 1.286 121.914 120.500 0.214 0.000 2.670 192 R HA 0.183 4.526 4.340 0.005 0.000 0.289 192 R C 0.567 176.872 176.300 0.008 0.000 0.965 192 R CA -0.553 55.605 56.100 0.097 0.000 0.899 192 R CB 1.485 31.802 30.300 0.028 0.000 1.173 192 R HN 0.157 nan 8.270 nan 0.000 0.456 193 Q N 0.550 120.351 119.800 0.000 0.000 2.265 193 Q HA 0.118 4.462 4.340 0.005 0.000 0.217 193 Q C -0.241 175.702 176.000 -0.095 0.000 0.916 193 Q CA 0.279 56.065 55.803 -0.029 0.000 0.948 193 Q CB 0.241 28.975 28.738 -0.007 0.000 1.020 193 Q HN 0.498 nan 8.270 nan 0.000 0.462 194 T N -2.054 112.418 114.554 -0.137 0.000 2.926 194 T HA 0.487 4.840 4.350 0.005 0.000 0.289 194 T C -0.307 174.109 174.700 -0.474 0.000 1.054 194 T CA -0.753 61.211 62.100 -0.226 0.000 1.015 194 T CB 1.998 70.801 68.868 -0.109 0.000 1.167 194 T HN -0.108 nan 8.240 nan 0.000 0.526 195 V N 0.579 120.081 119.914 -0.686 0.000 2.567 195 V HA 0.807 4.930 4.120 0.005 0.000 0.289 195 V C 0.509 176.014 176.094 -0.981 0.000 1.049 195 V CA 0.474 62.036 62.300 -1.230 0.000 0.969 195 V CB 1.184 32.028 31.823 -1.633 0.000 0.995 195 V HN 1.283 nan 8.190 nan 0.000 0.471 196 G N 2.904 111.006 108.800 -1.164 0.000 2.489 196 G HA2 0.300 4.263 3.960 0.005 0.000 0.291 196 G HA3 0.300 4.263 3.960 0.005 0.000 0.291 196 G C -1.780 172.950 174.900 -0.284 0.000 1.487 196 G CA -0.668 43.969 45.100 -0.771 0.000 0.795 196 G HN 0.674 nan 8.290 nan 0.000 0.513 197 H N 0.049 119.143 119.070 0.039 0.000 2.527 197 H HA 0.255 4.814 4.556 0.006 0.000 0.321 197 H C 1.343 176.821 175.328 0.250 0.000 1.087 197 H CA 0.276 56.490 56.048 0.277 0.000 1.337 197 H CB 1.330 31.283 29.762 0.319 0.000 1.440 197 H HN 0.811 nan 8.280 nan 0.000 0.490 198 H N 0.863 120.156 119.070 0.371 0.000 2.548 198 H HA 0.085 4.645 4.556 0.005 0.000 0.268 198 H C 0.347 176.008 175.328 0.556 0.000 0.975 198 H CA 0.536 56.856 56.048 0.454 0.000 1.195 198 H CB 0.465 30.417 29.762 0.317 0.000 1.397 198 H HN 0.282 nan 8.280 nan 0.000 0.572 199 S N -0.199 115.593 115.700 0.153 0.000 2.526 199 S HA 0.315 4.788 4.470 0.005 0.000 0.220 199 S C -2.982 171.629 174.600 0.019 0.000 1.159 199 S CA -1.305 56.997 58.200 0.170 0.000 1.196 199 S CB 0.680 63.867 63.200 -0.020 0.000 1.225 199 S HN 0.138 nan 8.310 nan 0.000 0.432 200 P HA 0.190 nan 4.420 nan 0.000 0.275 200 P C 0.724 177.879 177.300 -0.242 0.000 1.228 200 P CA -0.557 62.419 63.100 -0.205 0.000 0.786 200 P CB 1.258 32.847 31.700 -0.185 0.000 0.927 201 L N 2.454 123.469 121.223 -0.345 0.000 2.102 201 L HA 0.238 4.581 4.340 0.005 0.000 0.202 201 L C 0.475 176.837 176.870 -0.847 0.000 1.076 201 L CA 1.697 56.150 54.840 -0.646 0.000 0.761 201 L CB -0.676 40.922 42.059 -0.769 0.000 0.921 201 L HN 0.209 nan 8.230 nan 0.000 0.444 202 F N -0.845 118.990 119.950 -0.191 0.000 2.594 202 F HA 0.391 4.921 4.527 0.005 0.000 0.335 202 F C 1.657 177.362 175.800 -0.158 0.000 1.058 202 F CA -0.664 57.245 58.000 -0.152 0.000 0.981 202 F CB 0.677 39.615 39.000 -0.103 0.000 1.289 202 F HN -0.114 nan 8.300 nan 0.000 0.490 203 R N 1.181 121.742 120.500 0.102 0.000 2.083 203 R HA 0.115 4.459 4.340 0.005 0.000 0.237 203 R C 0.440 176.693 176.300 -0.080 0.000 1.137 203 R CA 1.296 57.372 56.100 -0.040 0.000 0.951 203 R CB -0.860 29.416 30.300 -0.040 0.000 0.851 203 R HN 1.126 nan 8.270 nan 0.000 0.434 204 G N 2.651 111.425 108.800 -0.043 0.000 2.956 204 G HA2 -0.237 3.726 3.960 0.005 0.000 0.263 204 G HA3 -0.237 3.726 3.960 0.005 0.000 0.263 204 G C 0.422 175.277 174.900 -0.074 0.000 1.090 204 G CA 0.253 45.306 45.100 -0.078 0.000 1.185 204 G HN 0.654 nan 8.290 nan 0.000 0.566 205 Q N -0.313 119.455 119.800 -0.052 0.000 2.388 205 Q HA -0.276 4.067 4.340 0.005 0.000 0.216 205 Q C 1.668 177.635 176.000 -0.054 0.000 0.997 205 Q CA 2.183 57.955 55.803 -0.051 0.000 0.923 205 Q CB -0.270 28.445 28.738 -0.040 0.000 0.922 205 Q HN 0.821 nan 8.270 nan 0.000 0.435 206 E N 1.398 121.566 120.200 -0.055 0.000 1.992 206 E HA -0.160 4.193 4.350 0.005 0.000 0.202 206 E C 0.633 177.191 176.600 -0.070 0.000 1.007 206 E CA 1.229 57.597 56.400 -0.053 0.000 0.857 206 E CB -0.221 29.453 29.700 -0.044 0.000 0.796 206 E HN 0.434 nan 8.360 nan 0.000 0.486 207 D N -1.930 118.415 120.400 -0.092 0.000 2.356 207 D HA 0.202 4.845 4.640 0.005 0.000 0.258 207 D C 0.118 176.349 176.300 -0.115 0.000 1.279 207 D CA 0.895 54.835 54.000 -0.100 0.000 1.016 207 D CB 0.744 41.478 40.800 -0.111 0.000 1.107 207 D HN 0.174 nan 8.370 nan 0.000 0.544 208 A N -0.996 121.742 122.820 -0.136 0.000 2.249 208 A HA 0.069 4.392 4.320 0.005 0.000 0.157 208 A C 1.543 178.990 177.584 -0.229 0.000 1.879 208 A CA 0.748 52.684 52.037 -0.169 0.000 1.424 208 A CB -0.851 18.069 19.000 -0.133 0.000 1.616 208 A HN 0.352 nan 8.150 nan 0.000 0.377 209 S N 0.361 115.946 115.700 -0.192 0.000 2.365 209 S HA -0.040 4.433 4.470 0.005 0.000 0.221 209 S C 1.153 175.568 174.600 -0.308 0.000 1.037 209 S CA 2.245 60.320 58.200 -0.209 0.000 1.060 209 S CB -0.163 62.956 63.200 -0.134 0.000 0.974 209 S HN 0.609 nan 8.310 nan 0.000 0.427 213 F N 2.025 121.614 119.950 -0.601 0.000 2.789 213 F HA 0.415 4.945 4.527 0.005 0.000 0.300 213 F C 0.788 176.336 175.800 -0.420 0.000 1.132 213 F CA 0.031 57.508 58.000 -0.872 0.000 1.404 213 F CB 0.746 39.326 39.000 -0.699 0.000 1.114 213 F HN -0.108 nan 8.300 nan 0.000 0.584 214 S N 1.441 116.987 115.700 -0.256 0.000 3.266 214 S HA 0.246 4.719 4.470 0.005 0.000 0.209 214 S C -0.274 173.633 174.600 -1.155 0.000 1.409 214 S CA -0.513 57.399 58.200 -0.480 0.000 1.179 214 S CB -1.187 61.981 63.200 -0.053 0.000 1.218 214 S HN 0.517 nan 8.310 nan 0.000 0.514 215 N N -1.183 116.768 118.700 -1.249 0.000 2.708 215 N HA 0.636 5.379 4.740 0.005 0.000 0.257 215 N C 0.539 175.689 175.510 -0.600 0.000 1.373 215 N CA -0.794 51.697 53.050 -0.931 0.000 0.843 215 N CB 0.537 38.787 38.487 -0.395 0.000 1.503 215 N HN -0.072 nan 8.380 nan 0.000 0.504 216 A N 0.070 122.741 122.820 -0.247 0.000 1.908 216 A HA -0.230 4.094 4.320 0.005 0.000 0.218 216 A C 1.661 179.223 177.584 -0.037 0.000 1.181 216 A CA 2.264 54.303 52.037 0.004 0.000 0.627 216 A CB -1.173 17.768 19.000 -0.098 0.000 0.818 216 A HN 0.914 nan 8.150 nan 0.000 0.445 217 D N -2.061 118.224 120.400 -0.192 0.000 2.117 217 D HA -0.227 4.416 4.640 0.005 0.000 0.197 217 D C 1.749 178.137 176.300 0.146 0.000 0.987 217 D CA 1.592 55.576 54.000 -0.027 0.000 0.829 217 D CB -0.304 40.483 40.800 -0.021 0.000 0.961 217 D HN 0.530 nan 8.370 nan 0.000 0.460 218 Y N 0.473 120.792 120.300 0.031 0.000 2.242 218 Y HA -0.060 4.493 4.550 0.005 0.000 0.291 218 Y C 2.183 178.164 175.900 0.135 0.000 1.137 218 Y CA 1.700 59.852 58.100 0.087 0.000 1.181 218 Y CB -0.468 38.028 38.460 0.061 0.000 0.989 218 Y HN 0.064 nan 8.280 nan 0.000 0.527 219 A N -0.597 122.380 122.820 0.262 0.000 1.877 219 A HA -0.171 4.152 4.320 0.005 0.000 0.216 219 A C 2.315 179.980 177.584 0.136 0.000 1.186 219 A CA 2.064 54.252 52.037 0.252 0.000 0.620 219 A CB -1.335 17.881 19.000 0.360 0.000 0.822 219 A HN 0.327 nan 8.150 nan 0.000 0.443 220 V N -0.126 119.869 119.914 0.134 0.000 2.261 220 V HA -0.239 3.884 4.120 0.005 0.000 0.246 220 V C 2.818 178.943 176.094 0.052 0.000 1.047 220 V CA 2.415 64.785 62.300 0.117 0.000 1.015 220 V CB -0.900 31.049 31.823 0.210 0.000 0.642 220 V HN 0.567 nan 8.190 nan 0.000 0.446 221 S N -1.311 114.405 115.700 0.027 0.000 2.370 221 S HA -0.235 4.238 4.470 0.005 0.000 0.226 221 S C 1.890 176.449 174.600 -0.069 0.000 1.033 221 S CA 1.855 60.038 58.200 -0.028 0.000 1.011 221 S CB -0.464 62.709 63.200 -0.044 0.000 0.852 221 S HN 0.644 nan 8.310 nan 0.000 0.457 222 Y N 1.996 122.103 120.300 -0.321 0.000 2.181 222 Y HA -0.074 4.479 4.550 0.005 0.000 0.288 222 Y C 2.251 178.060 175.900 -0.152 0.000 1.146 222 Y CA 1.146 59.065 58.100 -0.302 0.000 1.164 222 Y CB -0.417 37.823 38.460 -0.366 0.000 0.982 222 Y HN 0.138 nan 8.280 nan 0.000 0.515 223 M N -0.545 118.984 119.600 -0.118 0.000 2.086 223 M HA -0.220 4.264 4.480 0.005 0.000 0.261 223 M C 2.340 178.549 176.300 -0.152 0.000 1.067 223 M CA 1.465 56.668 55.300 -0.163 0.000 1.116 223 M CB -1.381 31.179 32.600 -0.066 0.000 1.348 223 M HN 0.329 nan 8.290 nan 0.000 0.407 224 L N -0.766 120.402 121.223 -0.092 0.000 2.043 224 L HA -0.249 4.094 4.340 0.005 0.000 0.212 224 L C 2.850 179.658 176.870 -0.103 0.000 1.075 224 L CA 1.295 56.091 54.840 -0.074 0.000 0.752 224 L CB -0.737 41.298 42.059 -0.040 0.000 0.891 224 L HN 0.337 nan 8.230 nan 0.000 0.432 225 R N 0.234 120.654 120.500 -0.133 0.000 2.092 225 R HA -0.128 4.215 4.340 0.005 0.000 0.231 225 R C 2.044 178.226 176.300 -0.198 0.000 1.119 225 R CA 1.075 57.090 56.100 -0.141 0.000 0.970 225 R CB -0.100 30.126 30.300 -0.124 0.000 0.864 225 R HN 0.308 nan 8.270 nan 0.000 0.440 226 L N -0.323 120.714 121.223 -0.310 0.000 2.551 226 L HA 0.000 4.343 4.340 0.005 0.000 0.228 226 L C 1.322 178.087 176.870 -0.174 0.000 1.153 226 L CA 1.787 56.450 54.840 -0.295 0.000 0.851 226 L CB -0.486 41.331 42.059 -0.403 0.000 0.959 226 L HN 0.604 nan 8.230 nan 0.000 0.451 227 G N -1.130 107.587 108.800 -0.138 0.000 2.192 227 G HA2 -0.180 3.783 3.960 0.005 0.000 0.193 227 G HA3 -0.180 3.783 3.960 0.005 0.000 0.193 227 G C 0.526 175.377 174.900 -0.082 0.000 0.999 227 G CA -0.024 45.018 45.100 -0.096 0.000 0.659 227 G HN 0.531 nan 8.290 nan 0.000 0.503 228 A N 1.433 124.201 122.820 -0.088 0.000 2.451 228 A HA 0.643 4.967 4.320 0.005 0.000 0.266 228 A C -1.587 175.971 177.584 -0.044 0.000 1.119 228 A CA -0.574 51.426 52.037 -0.062 0.000 0.786 228 A CB 0.064 19.027 19.000 -0.061 0.000 1.061 228 A HN 0.173 nan 8.150 nan 0.000 0.503 229 P HA 0.259 nan 4.420 nan 0.000 0.271 229 P C 0.851 178.148 177.300 -0.005 0.000 1.218 229 P CA 0.284 63.372 63.100 -0.020 0.000 0.780 229 P CB 1.045 32.735 31.700 -0.017 0.000 0.901 230 A N 3.642 126.460 122.820 -0.003 0.000 1.940 230 A HA -0.229 4.095 4.320 0.005 0.000 0.219 230 A C 1.617 179.214 177.584 0.022 0.000 1.176 230 A CA 2.014 54.057 52.037 0.009 0.000 0.631 230 A CB -1.477 17.525 19.000 0.004 0.000 0.814 230 A HN 0.710 nan 8.150 nan 0.000 0.446 231 N N -0.552 118.155 118.700 0.013 0.000 2.609 231 N HA -0.076 4.667 4.740 0.005 0.000 0.190 231 N C 0.801 176.333 175.510 0.037 0.000 1.157 231 N CA 1.216 54.275 53.050 0.015 0.000 0.918 231 N CB -0.242 38.244 38.487 -0.001 0.000 0.978 231 N HN 0.564 nan 8.380 nan 0.000 0.448 232 K N -0.589 119.840 120.400 0.048 0.000 2.402 232 K HA 0.292 4.615 4.320 0.005 0.000 0.204 232 K C -0.192 176.474 176.600 0.111 0.000 1.056 232 K CA -0.211 56.128 56.287 0.087 0.000 1.069 232 K CB 0.844 33.382 32.500 0.064 0.000 0.888 232 K HN 0.131 nan 8.250 nan 0.000 0.546 233 L N 1.978 123.249 121.223 0.081 0.000 2.289 233 L HA 0.327 4.670 4.340 0.005 0.000 0.285 233 L C -0.703 176.227 176.870 0.101 0.000 1.049 233 L CA -0.772 54.120 54.840 0.087 0.000 0.804 233 L CB 1.658 43.752 42.059 0.059 0.000 1.195 233 L HN -0.225 nan 8.230 nan 0.000 0.428 234 V N 4.892 124.882 119.914 0.126 0.000 2.483 234 V HA 0.330 4.453 4.120 0.005 0.000 0.297 234 V C -0.017 176.163 176.094 0.143 0.000 1.027 234 V CA -0.461 61.912 62.300 0.121 0.000 0.855 234 V CB 1.871 33.770 31.823 0.126 0.000 0.995 234 V HN 0.744 nan 8.190 nan 0.000 0.424 235 M N 3.767 123.451 119.600 0.140 0.000 2.146 235 M HA 0.539 5.022 4.480 0.005 0.000 0.357 235 M C 0.708 177.125 176.300 0.196 0.000 1.261 235 M CA -0.118 55.277 55.300 0.159 0.000 1.106 235 M CB 0.736 33.435 32.600 0.164 0.000 1.612 235 M HN 0.836 nan 8.290 nan 0.000 0.470 236 G N 6.012 114.951 108.800 0.230 0.000 2.403 236 G HA2 0.515 4.478 3.960 0.005 0.000 0.259 236 G HA3 0.515 4.478 3.960 0.005 0.000 0.259 236 G C -0.766 174.373 174.900 0.398 0.000 1.244 236 G CA -0.517 44.806 45.100 0.373 0.000 0.849 236 G HN 0.791 nan 8.290 nan 0.000 0.532 237 I N 4.232 125.028 120.570 0.376 0.000 2.499 237 I HA 0.314 4.487 4.170 0.005 0.000 0.288 237 I C -2.230 173.979 176.117 0.152 0.000 1.048 237 I CA -2.188 59.250 61.300 0.230 0.000 1.062 237 I CB 3.310 41.392 38.000 0.137 0.000 1.238 237 I HN 0.346 nan 8.210 nan 0.000 0.426 238 P HA 0.249 nan 4.420 nan 0.000 0.285 238 P C -0.176 177.042 177.300 -0.137 0.000 1.269 238 P CA -0.316 62.640 63.100 -0.240 0.000 0.844 238 P CB 2.173 33.444 31.700 -0.714 0.000 1.094 239 T N 0.654 115.198 114.554 -0.016 0.000 3.145 239 T HA 0.344 4.697 4.350 0.005 0.000 0.281 239 T C -0.070 174.730 174.700 0.168 0.000 1.003 239 T CA -0.196 61.936 62.100 0.053 0.000 0.901 239 T CB -0.578 68.360 68.868 0.117 0.000 1.112 239 T HN 0.406 nan 8.240 nan 0.000 0.535 240 F N -0.886 119.113 119.950 0.082 0.000 2.679 240 F HA 0.929 5.459 4.527 0.005 0.000 0.341 240 F C 0.161 176.023 175.800 0.102 0.000 1.095 240 F CA -1.550 56.484 58.000 0.056 0.000 1.004 240 F CB 0.623 39.624 39.000 0.002 0.000 1.388 240 F HN -0.105 nan 8.300 nan 0.000 0.505 241 G N 0.112 109.038 108.800 0.210 0.000 2.658 241 G HA2 0.595 4.558 3.960 0.005 0.000 0.292 241 G HA3 0.595 4.558 3.960 0.005 0.000 0.292 241 G C -1.912 172.982 174.900 -0.009 0.000 1.320 241 G CA -1.218 43.926 45.100 0.073 0.000 0.933 241 G HN 0.511 nan 8.290 nan 0.000 0.476 242 K N 0.671 120.952 120.400 -0.199 0.000 2.292 242 K HA 0.542 4.865 4.320 0.005 0.000 0.257 242 K C -0.377 176.041 176.600 -0.302 0.000 0.940 242 K CA -0.484 55.611 56.287 -0.320 0.000 0.811 242 K CB 1.904 34.133 32.500 -0.451 0.000 1.120 242 K HN 0.669 nan 8.250 nan 0.000 0.428 243 S N 2.075 117.510 115.700 -0.442 0.000 2.578 243 S HA 0.782 5.255 4.470 0.005 0.000 0.301 243 S C -0.555 173.710 174.600 -0.559 0.000 1.091 243 S CA -0.675 57.329 58.200 -0.327 0.000 1.032 243 S CB 0.746 63.801 63.200 -0.241 0.000 1.064 243 S HN 0.380 nan 8.310 nan 0.000 0.508 244 F N -0.197 119.842 119.950 0.149 0.000 2.588 244 F HA 0.468 4.998 4.527 0.004 0.000 0.310 244 F C 0.260 176.140 175.800 0.133 0.000 1.082 244 F CA -0.762 57.309 58.000 0.119 0.000 0.929 244 F CB 2.488 41.552 39.000 0.105 0.000 1.254 244 F HN 0.497 nan 8.300 nan 0.000 0.455 245 T N 3.910 118.630 114.554 0.277 0.000 2.743 245 T HA 0.467 4.820 4.350 0.005 0.000 0.293 245 T C -0.025 174.776 174.700 0.168 0.000 0.945 245 T CA -0.486 61.731 62.100 0.194 0.000 1.030 245 T CB 0.249 69.192 68.868 0.125 0.000 0.912 245 T HN 0.282 nan 8.240 nan 0.000 0.483 246 L N 2.403 123.723 121.223 0.161 0.000 2.426 246 L HA 0.317 4.660 4.340 0.005 0.000 0.271 246 L C 1.488 178.395 176.870 0.062 0.000 1.169 246 L CA -0.433 54.463 54.840 0.094 0.000 0.836 246 L CB 0.457 42.589 42.059 0.121 0.000 1.112 246 L HN 0.765 nan 8.230 nan 0.000 0.465 247 A N 1.720 124.555 122.820 0.025 0.000 2.195 247 A HA 0.166 4.489 4.320 0.005 0.000 0.210 247 A C 0.885 178.481 177.584 0.021 0.000 1.165 247 A CA 0.778 52.827 52.037 0.021 0.000 0.806 247 A CB -0.001 19.001 19.000 0.003 0.000 0.847 247 A HN 0.750 nan 8.150 nan 0.000 0.482 248 S N -1.883 113.830 115.700 0.022 0.000 2.794 248 S HA 0.397 4.870 4.470 0.005 0.000 0.299 248 S C 0.686 175.312 174.600 0.044 0.000 1.179 248 S CA 0.439 58.654 58.200 0.026 0.000 0.838 248 S CB 0.745 63.951 63.200 0.011 0.000 1.206 248 S HN 0.674 nan 8.310 nan 0.000 0.523 249 S N -0.580 115.146 115.700 0.045 0.000 2.603 249 S HA 0.173 4.646 4.470 0.005 0.000 0.220 249 S C 0.464 175.107 174.600 0.073 0.000 0.967 249 S CA -0.054 58.184 58.200 0.063 0.000 0.920 249 S CB -0.637 62.595 63.200 0.053 0.000 0.773 249 S HN 0.727 nan 8.310 nan 0.000 0.529 250 K N 0.963 121.394 120.400 0.052 0.000 2.298 250 K HA 0.266 4.589 4.320 0.005 0.000 0.280 250 K C -0.038 176.609 176.600 0.078 0.000 1.032 250 K CA 0.224 56.541 56.287 0.050 0.000 0.958 250 K CB 0.546 33.052 32.500 0.011 0.000 0.978 250 K HN 0.089 nan 8.250 nan 0.000 0.472 251 T N 2.037 116.669 114.554 0.131 0.000 3.004 251 T HA 0.036 4.389 4.350 0.005 0.000 0.266 251 T C -0.571 174.282 174.700 0.254 0.000 0.986 251 T CA -0.215 62.042 62.100 0.262 0.000 0.902 251 T CB 0.010 69.113 68.868 0.392 0.000 1.118 251 T HN 0.758 nan 8.240 nan 0.000 0.522 252 D N 1.167 121.637 120.400 0.116 0.000 2.403 252 D HA 0.330 4.973 4.640 0.005 0.000 0.278 252 D C 0.064 176.371 176.300 0.012 0.000 1.230 252 D CA -0.735 53.329 54.000 0.105 0.000 1.062 252 D CB -0.106 40.743 40.800 0.082 0.000 1.119 252 D HN -0.097 nan 8.370 nan 0.000 0.557 253 V N -0.062 119.887 119.914 0.059 0.000 2.540 253 V HA 0.357 4.480 4.120 0.005 0.000 0.297 253 V C 1.609 177.658 176.094 -0.076 0.000 1.024 253 V CA 1.100 63.404 62.300 0.006 0.000 1.105 253 V CB -0.250 31.610 31.823 0.062 0.000 0.938 253 V HN 0.972 nan 8.190 nan 0.000 0.482 254 G N 3.473 112.180 108.800 -0.154 0.000 2.175 254 G HA2 -0.098 3.865 3.960 0.005 0.000 0.244 254 G HA3 -0.098 3.865 3.960 0.005 0.000 0.244 254 G C 0.451 175.249 174.900 -0.169 0.000 0.982 254 G CA 0.088 45.102 45.100 -0.143 0.000 0.641 254 G HN 1.654 nan 8.290 nan 0.000 0.527 255 A N 1.277 123.964 122.820 -0.221 0.000 2.566 255 A HA 0.544 4.867 4.320 0.005 0.000 0.245 255 A C -1.159 176.284 177.584 -0.235 0.000 1.056 255 A CA 0.080 51.993 52.037 -0.207 0.000 0.757 255 A CB -0.013 18.845 19.000 -0.237 0.000 0.979 255 A HN 0.247 nan 8.150 nan 0.000 0.508 256 P HA 0.280 nan 4.420 nan 0.000 0.268 256 P C -0.567 176.655 177.300 -0.131 0.000 1.208 256 P CA -0.048 62.979 63.100 -0.122 0.000 0.777 256 P CB 0.670 32.331 31.700 -0.065 0.000 0.875 257 V N 1.343 121.190 119.914 -0.111 0.000 2.876 257 V HA 0.294 4.417 4.120 0.005 0.000 0.312 257 V C 0.937 177.030 176.094 -0.002 0.000 1.085 257 V CA -0.047 62.210 62.300 -0.071 0.000 0.945 257 V CB 2.045 33.780 31.823 -0.147 0.000 1.017 257 V HN 0.662 nan 8.190 nan 0.000 0.428 258 S N 1.325 117.050 115.700 0.042 0.000 2.523 258 S HA 0.620 5.093 4.470 0.005 0.000 0.217 258 S C 0.506 175.147 174.600 0.069 0.000 0.996 258 S CA 0.410 58.639 58.200 0.048 0.000 0.921 258 S CB 0.648 63.874 63.200 0.045 0.000 0.829 258 S HN 1.772 nan 8.310 nan 0.000 0.495 259 G N 1.376 110.242 108.800 0.110 0.000 2.359 259 G HA2 0.333 4.296 3.960 0.005 0.000 0.293 259 G HA3 0.333 4.296 3.960 0.005 0.000 0.293 259 G C -3.558 171.438 174.900 0.160 0.000 1.300 259 G CA -0.657 44.513 45.100 0.117 0.000 0.888 259 G HN 0.097 nan 8.290 nan 0.000 0.541 260 P HA 0.400 nan 4.420 nan 0.000 0.272 260 P C 0.831 178.116 177.300 -0.026 0.000 1.230 260 P CA 0.545 63.613 63.100 -0.053 0.000 0.788 260 P CB 0.791 32.421 31.700 -0.116 0.000 0.949 261 G N 1.524 110.274 108.800 -0.082 0.000 2.667 261 G HA2 0.362 4.325 3.960 0.005 0.000 0.250 261 G HA3 0.362 4.325 3.960 0.005 0.000 0.250 261 G C 0.424 175.308 174.900 -0.026 0.000 1.212 261 G CA -0.793 44.296 45.100 -0.018 0.000 0.874 261 G HN 0.635 nan 8.290 nan 0.000 0.561 262 I N -1.044 119.532 120.570 0.010 0.000 2.836 262 I HA 0.328 4.502 4.170 0.005 0.000 0.285 262 I C -2.167 173.940 176.117 -0.015 0.000 1.174 262 I CA -1.675 59.629 61.300 0.006 0.000 1.405 262 I CB 0.346 38.365 38.000 0.032 0.000 1.385 262 I HN 0.146 nan 8.210 nan 0.000 0.594 263 P HA 0.169 nan 4.420 nan 0.000 0.270 263 P C -0.018 177.273 177.300 -0.015 0.000 1.223 263 P CA -0.130 62.954 63.100 -0.026 0.000 0.785 263 P CB 0.442 32.132 31.700 -0.017 0.000 0.923 264 G N 0.343 109.134 108.800 -0.015 0.000 2.448 264 G HA2 0.088 4.052 3.960 0.005 0.000 0.285 264 G HA3 0.088 4.052 3.960 0.005 0.000 0.285 264 G C 0.621 175.522 174.900 0.002 0.000 1.176 264 G CA -0.365 44.739 45.100 0.006 0.000 0.852 264 G HN 0.562 nan 8.290 nan 0.000 0.530 265 Q N 0.473 120.247 119.800 -0.044 0.000 2.248 265 Q HA -0.138 4.205 4.340 0.005 0.000 0.208 265 Q C 1.066 176.861 176.000 -0.342 0.000 0.984 265 Q CA 1.772 57.429 55.803 -0.243 0.000 0.875 265 Q CB -0.095 28.390 28.738 -0.423 0.000 0.910 265 Q HN 0.686 nan 8.270 nan 0.000 0.433 266 F N -1.835 118.172 119.950 0.095 0.000 2.592 266 F HA 0.082 4.613 4.527 0.007 0.000 0.280 266 F C 2.391 178.259 175.800 0.112 0.000 1.083 266 F CA 0.814 58.896 58.000 0.138 0.000 1.365 266 F CB 0.103 39.248 39.000 0.243 0.000 1.100 266 F HN 0.092 nan 8.300 nan 0.000 0.633 267 T N -2.698 112.000 114.554 0.239 0.000 3.057 267 T HA 0.061 4.414 4.350 0.005 0.000 0.254 267 T C 0.860 175.619 174.700 0.098 0.000 1.094 267 T CA 0.018 62.207 62.100 0.148 0.000 1.088 267 T CB -0.385 68.514 68.868 0.052 0.000 0.934 267 T HN 0.106 nan 8.240 nan 0.000 0.497 268 K N 1.368 121.808 120.400 0.067 0.000 3.078 268 K HA -0.199 4.124 4.320 0.005 0.000 0.261 268 K C -0.257 176.350 176.600 0.011 0.000 0.947 268 K CA 0.717 57.025 56.287 0.034 0.000 0.702 268 K CB -1.329 31.201 32.500 0.050 0.000 1.318 268 K HN 0.728 nan 8.250 nan 0.000 0.473 269 E N 1.368 121.559 120.200 -0.014 0.000 2.244 269 E HA 0.143 4.496 4.350 0.005 0.000 0.260 269 E C -0.901 175.655 176.600 -0.074 0.000 0.884 269 E CA -0.905 55.467 56.400 -0.046 0.000 0.777 269 E CB 0.985 30.650 29.700 -0.057 0.000 1.197 269 E HN 0.097 nan 8.360 nan 0.000 0.416 270 K N 2.156 122.513 120.400 -0.072 0.000 2.489 270 K HA 0.235 4.558 4.320 0.005 0.000 0.278 270 K C 0.875 177.393 176.600 -0.137 0.000 1.000 270 K CA 0.691 56.926 56.287 -0.086 0.000 1.012 270 K CB 0.451 32.911 32.500 -0.066 0.000 0.903 270 K HN 0.842 nan 8.250 nan 0.000 0.485 271 G N 1.959 110.654 108.800 -0.175 0.000 2.217 271 G HA2 -0.216 3.747 3.960 0.005 0.000 0.246 271 G HA3 -0.216 3.747 3.960 0.005 0.000 0.246 271 G C 0.042 174.779 174.900 -0.272 0.000 0.990 271 G CA -0.303 44.634 45.100 -0.271 0.000 0.627 271 G HN 0.542 nan 8.290 nan 0.000 0.522 272 I N 0.798 121.249 120.570 -0.199 0.000 2.647 272 I HA 0.598 4.771 4.170 0.005 0.000 0.295 272 I C -0.243 175.800 176.117 -0.123 0.000 1.078 272 I CA -0.770 60.435 61.300 -0.159 0.000 1.048 272 I CB 1.950 39.825 38.000 -0.208 0.000 1.239 272 I HN -0.019 nan 8.210 nan 0.000 0.421 273 L N 3.947 125.118 121.223 -0.087 0.000 2.381 273 L HA 0.661 5.004 4.340 0.005 0.000 0.268 273 L C 0.216 177.031 176.870 -0.092 0.000 0.997 273 L CA -0.722 54.042 54.840 -0.126 0.000 0.818 273 L CB 2.182 44.123 42.059 -0.198 0.000 1.310 273 L HN 0.665 nan 8.230 nan 0.000 0.416 274 A N 0.984 123.658 122.820 -0.243 0.000 2.366 274 A HA 0.112 4.436 4.320 0.005 0.000 0.249 274 A C 0.400 177.812 177.584 -0.287 0.000 1.084 274 A CA 0.073 51.908 52.037 -0.336 0.000 0.794 274 A CB 0.098 18.564 19.000 -0.890 0.000 1.034 274 A HN 0.769 nan 8.150 nan 0.000 0.491 275 Y N 1.488 121.659 120.300 -0.216 0.000 2.207 275 Y HA -0.318 4.235 4.550 0.006 0.000 0.287 275 Y C 1.987 177.794 175.900 -0.155 0.000 1.156 275 Y CA 2.764 60.797 58.100 -0.113 0.000 1.182 275 Y CB -0.664 37.805 38.460 0.016 0.000 0.979 275 Y HN 0.825 nan 8.280 nan 0.000 0.521 276 Y N -1.075 119.080 120.300 -0.241 0.000 2.333 276 Y HA -0.046 4.507 4.550 0.005 0.000 0.290 276 Y C 1.861 177.497 175.900 -0.440 0.000 1.144 276 Y CA 1.258 59.063 58.100 -0.492 0.000 1.228 276 Y CB -1.156 36.786 38.460 -0.864 0.000 0.985 276 Y HN 0.150 nan 8.280 nan 0.000 0.542 277 E N 0.739 120.619 120.200 -0.533 0.000 2.158 277 E HA -0.040 4.313 4.350 0.005 0.000 0.191 277 E C 2.044 178.562 176.600 -0.135 0.000 0.982 277 E CA 1.053 57.330 56.400 -0.205 0.000 0.823 277 E CB -0.147 29.430 29.700 -0.204 0.000 0.766 277 E HN 0.548 nan 8.360 nan 0.000 0.468 278 I N 0.632 121.043 120.570 -0.265 0.000 2.315 278 I HA -0.303 3.870 4.170 0.005 0.000 0.248 278 I C 2.220 178.184 176.117 -0.254 0.000 1.117 278 I CA 0.548 61.673 61.300 -0.291 0.000 1.404 278 I CB -0.171 37.586 38.000 -0.404 0.000 1.071 278 I HN 0.245 nan 8.210 nan 0.000 0.419 279 c N 0.428 118.813 118.600 -0.357 0.000 2.413 279 c HA -0.211 4.362 4.570 0.005 0.000 0.277 279 c C 2.524 176.579 174.090 -0.059 0.000 1.265 279 c CA 1.424 57.604 56.329 -0.249 0.000 1.752 279 c CB -1.002 41.353 42.510 -0.258 0.000 1.998 279 c HN 0.560 nan 8.230 nan 0.000 0.489 280 D N -0.521 119.896 120.400 0.028 0.000 2.137 280 D HA -0.117 4.526 4.640 0.005 0.000 0.202 280 D C 1.837 178.175 176.300 0.062 0.000 0.970 280 D CA 0.770 54.824 54.000 0.090 0.000 0.837 280 D CB -0.361 40.556 40.800 0.196 0.000 0.981 280 D HN 0.456 nan 8.370 nan 0.000 0.475 281 F N 0.285 120.184 119.950 -0.084 0.000 2.202 281 F HA -0.137 4.393 4.527 0.005 0.000 0.301 281 F C 1.722 177.449 175.800 -0.121 0.000 1.082 281 F CA 0.793 58.732 58.000 -0.101 0.000 1.313 281 F CB -0.021 38.894 39.000 -0.141 0.000 1.024 281 F HN 0.006 nan 8.300 nan 0.000 0.495 282 L N 0.416 121.640 121.223 0.002 0.000 2.201 282 L HA -0.110 4.233 4.340 0.005 0.000 0.212 282 L C 0.878 177.660 176.870 -0.146 0.000 1.105 282 L CA 1.235 56.027 54.840 -0.080 0.000 0.775 282 L CB -1.299 40.720 42.059 -0.067 0.000 0.913 282 L HN 0.119 nan 8.230 nan 0.000 0.440 283 Q N -0.514 119.210 119.800 -0.126 0.000 2.257 283 Q HA 0.371 4.714 4.340 0.005 0.000 0.273 283 Q C 1.134 177.036 176.000 -0.163 0.000 1.153 283 Q CA 0.969 56.704 55.803 -0.113 0.000 0.922 283 Q CB -0.165 28.529 28.738 -0.074 0.000 1.242 283 Q HN 0.413 nan 8.270 nan 0.000 0.409 284 G N 1.476 110.188 108.800 -0.147 0.000 2.176 284 G HA2 -0.209 3.754 3.960 0.005 0.000 0.232 284 G HA3 -0.209 3.754 3.960 0.005 0.000 0.232 284 G C 0.122 174.905 174.900 -0.196 0.000 0.986 284 G CA -0.197 44.811 45.100 -0.154 0.000 0.643 284 G HN 0.839 nan 8.290 nan 0.000 0.522 285 A N -0.285 122.396 122.820 -0.232 0.000 2.269 285 A HA 0.848 5.171 4.320 0.005 0.000 0.319 285 A C 0.384 177.868 177.584 -0.167 0.000 1.110 285 A CA 0.484 52.377 52.037 -0.239 0.000 0.847 285 A CB 0.927 19.744 19.000 -0.304 0.000 1.161 285 A HN 0.665 nan 8.150 nan 0.000 0.497 286 T N 2.009 116.467 114.554 -0.161 0.000 2.767 286 T HA 0.507 4.860 4.350 0.005 0.000 0.288 286 T C 0.318 174.751 174.700 -0.445 0.000 0.963 286 T CA 0.008 61.954 62.100 -0.256 0.000 1.019 286 T CB 0.493 69.243 68.868 -0.196 0.000 0.923 286 T HN 0.828 nan 8.240 nan 0.000 0.468 287 T N 1.833 116.102 114.554 -0.475 0.000 2.875 287 T HA 0.591 4.944 4.350 0.005 0.000 0.284 287 T C -0.592 173.644 174.700 -0.774 0.000 0.995 287 T CA -0.897 60.913 62.100 -0.483 0.000 1.060 287 T CB 0.982 69.730 68.868 -0.201 0.000 0.967 287 T HN 0.554 nan 8.240 nan 0.000 0.476 288 H N 0.963 119.713 119.070 -0.533 0.000 2.949 288 H HA 0.707 5.266 4.556 0.005 0.000 0.356 288 H C -0.587 174.373 175.328 -0.613 0.000 1.212 288 H CA -0.962 54.688 56.048 -0.663 0.000 1.136 288 H CB 2.256 31.328 29.762 -1.149 0.000 1.869 288 H HN 0.676 nan 8.280 nan 0.000 0.556 289 R N 0.873 121.226 120.500 -0.245 0.000 2.564 289 R HA 0.292 4.635 4.340 0.005 0.000 0.284 289 R C -1.443 174.840 176.300 -0.027 0.000 1.031 289 R CA -0.667 55.335 56.100 -0.163 0.000 0.904 289 R CB 1.200 31.453 30.300 -0.078 0.000 1.199 289 R HN 0.229 nan 8.270 nan 0.000 0.443 290 F N 4.248 124.297 119.950 0.166 0.000 2.462 290 F HA 0.207 4.737 4.527 0.005 0.000 0.360 290 F C 1.726 177.564 175.800 0.064 0.000 1.134 290 F CA -0.457 57.625 58.000 0.137 0.000 1.148 290 F CB 0.753 39.819 39.000 0.109 0.000 1.147 290 F HN 0.586 nan 8.300 nan 0.000 0.550 291 R N 2.111 122.745 120.500 0.223 0.000 2.094 291 R HA -0.228 4.115 4.340 0.005 0.000 0.239 291 R C 1.648 178.023 176.300 0.124 0.000 1.137 291 R CA 2.518 58.697 56.100 0.132 0.000 0.943 291 R CB -0.353 30.003 30.300 0.095 0.000 0.850 291 R HN 0.708 nan 8.270 nan 0.000 0.433 292 D N -0.966 119.506 120.400 0.121 0.000 2.183 292 D HA -0.143 4.500 4.640 0.005 0.000 0.203 292 D C 1.500 177.874 176.300 0.124 0.000 0.969 292 D CA 1.002 55.049 54.000 0.077 0.000 0.842 292 D CB -0.309 40.505 40.800 0.022 0.000 0.957 292 D HN 0.373 nan 8.370 nan 0.000 0.484 293 Q N -0.470 119.395 119.800 0.108 0.000 2.331 293 Q HA 0.041 4.384 4.340 0.005 0.000 0.203 293 Q C 0.062 176.095 176.000 0.055 0.000 0.944 293 Q CA 0.280 56.112 55.803 0.048 0.000 0.892 293 Q CB 0.050 28.727 28.738 -0.102 0.000 0.983 293 Q HN 0.310 nan 8.270 nan 0.000 0.482 294 Q N -0.386 119.483 119.800 0.114 0.000 2.481 294 Q HA -0.132 4.211 4.340 0.005 0.000 0.283 294 Q C -1.139 174.838 176.000 -0.039 0.000 1.292 294 Q CA 0.460 56.301 55.803 0.063 0.000 0.819 294 Q CB -1.987 26.812 28.738 0.101 0.000 1.202 294 Q HN 0.278 nan 8.270 nan 0.000 0.446 295 V N -3.970 115.920 119.914 -0.040 0.000 3.012 295 V HA 0.860 4.983 4.120 0.005 0.000 0.307 295 V C -2.621 173.410 176.094 -0.105 0.000 1.166 295 V CA -2.112 60.073 62.300 -0.191 0.000 0.974 295 V CB 2.350 33.806 31.823 -0.611 0.000 1.040 295 V HN -0.029 nan 8.190 nan 0.000 0.428 296 P HA 0.618 nan 4.420 nan 0.000 0.283 296 P C -1.892 175.303 177.300 -0.175 0.000 1.278 296 P CA -0.345 62.580 63.100 -0.292 0.000 0.834 296 P CB 1.646 33.038 31.700 -0.514 0.000 1.150 297 Y N -2.395 117.748 120.300 -0.261 0.000 2.597 297 Y HA 0.830 5.383 4.550 0.004 0.000 0.340 297 Y C -1.825 173.999 175.900 -0.126 0.000 1.097 297 Y CA -1.522 56.413 58.100 -0.273 0.000 1.037 297 Y CB 0.792 38.806 38.460 -0.743 0.000 1.305 297 Y HN 0.644 nan 8.280 nan 0.000 0.463 298 A N 1.164 123.930 122.820 -0.091 0.000 2.515 298 A HA 0.938 5.261 4.320 0.005 0.000 0.296 298 A C -1.198 176.391 177.584 0.008 0.000 1.094 298 A CA -0.718 51.280 52.037 -0.066 0.000 0.718 298 A CB 1.739 20.791 19.000 0.086 0.000 1.307 298 A HN 0.884 nan 8.150 nan 0.000 0.408 299 T N 0.728 115.344 114.554 0.104 0.000 2.900 299 T HA 0.717 5.070 4.350 0.005 0.000 0.303 299 T C -0.975 173.800 174.700 0.125 0.000 1.142 299 T CA -0.722 61.516 62.100 0.230 0.000 1.007 299 T CB 1.790 70.840 68.868 0.304 0.000 1.156 299 T HN 0.693 nan 8.240 nan 0.000 0.490 300 K N 0.895 121.377 120.400 0.136 0.000 2.575 300 K HA 0.488 4.811 4.320 0.005 0.000 0.255 300 K C 0.585 177.220 176.600 0.058 0.000 0.953 300 K CA 0.174 56.432 56.287 -0.047 0.000 0.840 300 K CB 1.243 33.495 32.500 -0.413 0.000 1.303 300 K HN 0.971 nan 8.250 nan 0.000 0.438 301 G N 3.674 112.501 108.800 0.045 0.000 2.622 301 G HA2 -0.406 3.558 3.960 0.005 0.000 0.307 301 G HA3 -0.406 3.558 3.960 0.005 0.000 0.307 301 G C 0.112 175.087 174.900 0.124 0.000 1.226 301 G CA 0.769 45.911 45.100 0.069 0.000 0.997 301 G HN 0.858 nan 8.290 nan 0.000 0.551 302 N N 1.020 119.799 118.700 0.132 0.000 2.279 302 N HA 0.204 4.947 4.740 0.005 0.000 0.226 302 N C 0.088 175.730 175.510 0.220 0.000 1.126 302 N CA 0.362 53.507 53.050 0.159 0.000 0.846 302 N CB 0.611 39.169 38.487 0.118 0.000 1.050 302 N HN 0.532 nan 8.380 nan 0.000 0.502 303 Q N 0.332 120.299 119.800 0.278 0.000 2.316 303 Q HA 0.282 4.625 4.340 0.005 0.000 0.264 303 Q C -1.572 174.705 176.000 0.462 0.000 0.987 303 Q CA -0.260 55.753 55.803 0.350 0.000 0.852 303 Q CB 1.854 30.832 28.738 0.400 0.000 1.287 303 Q HN 0.454 nan 8.270 nan 0.000 0.448 304 W N 3.462 124.899 121.300 0.229 0.000 2.619 304 W HA 0.564 5.226 4.660 0.004 0.000 0.327 304 W C -1.300 175.332 176.519 0.188 0.000 1.027 304 W CA -0.539 56.959 57.345 0.256 0.000 1.233 304 W CB 1.192 30.802 29.460 0.249 0.000 1.370 304 W HN 0.271 nan 8.180 nan 0.000 0.453 305 V N 5.654 125.479 119.914 -0.148 0.000 2.487 305 V HA 0.721 4.845 4.120 0.005 0.000 0.298 305 V C 0.029 175.995 176.094 -0.214 0.000 1.028 305 V CA -1.002 61.186 62.300 -0.187 0.000 0.860 305 V CB 1.121 32.663 31.823 -0.468 0.000 0.991 305 V HN 0.655 nan 8.190 nan 0.000 0.427 306 A N 5.492 128.303 122.820 -0.014 0.000 2.276 306 A HA 0.897 5.220 4.320 0.005 0.000 0.316 306 A C -0.814 176.856 177.584 0.144 0.000 1.229 306 A CA -0.308 51.674 52.037 -0.091 0.000 0.851 306 A CB 0.452 19.367 19.000 -0.142 0.000 1.165 306 A HN 1.156 nan 8.150 nan 0.000 0.513 307 Y N -0.291 120.027 120.300 0.030 0.000 2.896 307 Y HA 0.780 5.333 4.550 0.006 0.000 0.317 307 Y C -1.224 174.796 175.900 0.199 0.000 1.444 307 Y CA -1.731 56.447 58.100 0.129 0.000 1.084 307 Y CB 0.906 39.414 38.460 0.080 0.000 1.382 307 Y HN 0.440 nan 8.280 nan 0.000 0.471 308 D N 1.020 121.471 120.400 0.084 0.000 2.646 308 D HA 0.286 4.929 4.640 0.005 0.000 0.245 308 D C -1.500 174.797 176.300 -0.006 0.000 1.099 308 D CA -0.225 53.732 54.000 -0.073 0.000 0.849 308 D CB 2.414 43.178 40.800 -0.060 0.000 1.448 308 D HN 0.722 nan 8.370 nan 0.000 0.489 309 D N -0.045 120.318 120.400 -0.062 0.000 2.650 309 D HA 0.120 4.764 4.640 0.005 0.000 0.255 309 D C 1.044 177.319 176.300 -0.041 0.000 1.135 309 D CA -0.385 53.642 54.000 0.045 0.000 1.099 309 D CB 0.702 41.629 40.800 0.212 0.000 1.273 309 D HN 0.133 nan 8.370 nan 0.000 0.628 310 Q N -0.784 119.022 119.800 0.010 0.000 2.061 310 Q HA -0.218 4.125 4.340 0.005 0.000 0.204 310 Q C 1.662 177.661 176.000 -0.001 0.000 0.984 310 Q CA 2.056 57.859 55.803 0.000 0.000 0.846 310 Q CB -0.133 28.631 28.738 0.044 0.000 0.902 310 Q HN 0.656 nan 8.270 nan 0.000 0.421 311 E N 0.799 121.004 120.200 0.008 0.000 2.077 311 E HA -0.173 4.180 4.350 0.005 0.000 0.193 311 E C 1.971 178.560 176.600 -0.017 0.000 0.989 311 E CA 1.836 58.237 56.400 0.001 0.000 0.800 311 E CB -0.149 29.555 29.700 0.006 0.000 0.746 311 E HN 0.295 nan 8.360 nan 0.000 0.452 312 S N -0.534 115.139 115.700 -0.044 0.000 2.383 312 S HA -0.097 4.376 4.470 0.005 0.000 0.227 312 S C 2.156 176.725 174.600 -0.052 0.000 1.026 312 S CA 1.049 59.210 58.200 -0.064 0.000 0.981 312 S CB -0.557 62.575 63.200 -0.114 0.000 0.818 312 S HN 0.150 nan 8.310 nan 0.000 0.472 313 V N 2.213 122.098 119.914 -0.048 0.000 2.358 313 V HA -0.103 4.020 4.120 0.005 0.000 0.246 313 V C 2.694 178.781 176.094 -0.013 0.000 1.047 313 V CA 1.834 64.113 62.300 -0.034 0.000 1.035 313 V CB -0.577 31.217 31.823 -0.049 0.000 0.658 313 V HN 0.506 nan 8.190 nan 0.000 0.452 314 K N -0.149 120.246 120.400 -0.008 0.000 2.057 314 K HA -0.173 4.150 4.320 0.005 0.000 0.207 314 K C 2.132 178.740 176.600 0.013 0.000 1.049 314 K CA 1.397 57.685 56.287 0.003 0.000 0.931 314 K CB -0.340 32.165 32.500 0.008 0.000 0.714 314 K HN 0.434 nan 8.250 nan 0.000 0.440 315 N N 1.411 120.120 118.700 0.015 0.000 2.069 315 N HA -0.178 4.565 4.740 0.005 0.000 0.191 315 N C 1.569 177.108 175.510 0.048 0.000 1.031 315 N CA 1.429 54.501 53.050 0.036 0.000 0.852 315 N CB 0.095 38.596 38.487 0.024 0.000 1.018 315 N HN 0.152 nan 8.380 nan 0.000 0.423 316 K N 0.556 120.960 120.400 0.006 0.000 2.063 316 K HA -0.091 4.232 4.320 0.005 0.000 0.208 316 K C 2.098 178.752 176.600 0.090 0.000 1.048 316 K CA 1.315 57.612 56.287 0.017 0.000 0.928 316 K CB -0.123 32.367 32.500 -0.016 0.000 0.713 316 K HN 0.186 nan 8.250 nan 0.000 0.442 317 A N 1.360 124.205 122.820 0.041 0.000 1.877 317 A HA -0.170 4.153 4.320 0.005 0.000 0.216 317 A C 2.042 179.615 177.584 -0.018 0.000 1.186 317 A CA 1.344 53.382 52.037 0.001 0.000 0.620 317 A CB -0.396 18.587 19.000 -0.028 0.000 0.822 317 A HN 0.191 nan 8.150 nan 0.000 0.443 318 R N -2.088 118.421 120.500 0.015 0.000 2.091 318 R HA -0.194 4.149 4.340 0.005 0.000 0.238 318 R C 2.168 178.494 176.300 0.044 0.000 1.136 318 R CA 1.891 58.001 56.100 0.016 0.000 0.959 318 R CB -0.584 29.747 30.300 0.052 0.000 0.856 318 R HN 0.725 nan 8.270 nan 0.000 0.437 319 Y N 2.247 122.543 120.300 -0.006 0.000 2.128 319 Y HA -0.225 4.328 4.550 0.006 0.000 0.284 319 Y C 2.092 177.994 175.900 0.004 0.000 1.154 319 Y CA 1.686 59.794 58.100 0.014 0.000 1.149 319 Y CB -0.233 38.215 38.460 -0.020 0.000 0.976 319 Y HN 0.041 nan 8.280 nan 0.000 0.505 320 L N -0.144 121.102 121.223 0.038 0.000 2.141 320 L HA -0.128 4.215 4.340 0.005 0.000 0.209 320 L C 1.906 178.715 176.870 -0.101 0.000 1.094 320 L CA 1.869 56.684 54.840 -0.042 0.000 0.763 320 L CB -1.121 40.975 42.059 0.062 0.000 0.908 320 L HN 0.266 nan 8.230 nan 0.000 0.437 321 K N 0.654 120.977 120.400 -0.128 0.000 2.002 321 K HA -0.128 4.195 4.320 0.005 0.000 0.209 321 K C 1.915 178.487 176.600 -0.046 0.000 1.048 321 K CA 1.587 57.800 56.287 -0.124 0.000 0.930 321 K CB -0.133 32.259 32.500 -0.181 0.000 0.714 321 K HN 0.439 nan 8.250 nan 0.000 0.438 322 N N 0.900 119.543 118.700 -0.093 0.000 2.272 322 N HA -0.150 4.594 4.740 0.005 0.000 0.185 322 N C 1.362 176.797 175.510 -0.125 0.000 1.014 322 N CA 1.052 54.049 53.050 -0.089 0.000 0.870 322 N CB -0.070 38.370 38.487 -0.078 0.000 0.975 322 N HN 0.186 nan 8.380 nan 0.000 0.433 323 R N 0.603 120.977 120.500 -0.209 0.000 2.334 323 R HA 0.161 4.504 4.340 0.005 0.000 0.216 323 R C -0.063 176.199 176.300 -0.063 0.000 0.905 323 R CA -0.016 55.979 56.100 -0.174 0.000 1.064 323 R CB 0.246 30.367 30.300 -0.300 0.000 1.046 323 R HN 0.217 nan 8.270 nan 0.000 0.508 324 Q N 0.452 120.250 119.800 -0.003 0.000 2.494 324 Q HA -0.186 4.157 4.340 0.005 0.000 0.272 324 Q C -0.629 175.419 176.000 0.079 0.000 1.145 324 Q CA 0.434 56.277 55.803 0.067 0.000 0.943 324 Q CB -1.735 27.018 28.738 0.026 0.000 1.338 324 Q HN 0.379 nan 8.270 nan 0.000 0.492 325 L N -1.019 120.257 121.223 0.089 0.000 2.472 325 L HA 0.282 4.625 4.340 0.005 0.000 0.260 325 L C 1.720 178.683 176.870 0.155 0.000 1.209 325 L CA 0.482 55.378 54.840 0.093 0.000 0.817 325 L CB 0.128 42.233 42.059 0.077 0.000 1.106 325 L HN 0.245 nan 8.230 nan 0.000 0.479 326 A N 0.882 123.764 122.820 0.104 0.000 2.067 326 A HA 0.301 4.624 4.320 0.005 0.000 0.219 326 A C 0.978 178.651 177.584 0.149 0.000 1.158 326 A CA 1.417 53.505 52.037 0.085 0.000 0.661 326 A CB -0.438 18.586 19.000 0.039 0.000 0.801 326 A HN 1.018 nan 8.150 nan 0.000 0.452 327 G N -3.056 105.836 108.800 0.152 0.000 2.351 327 G HA2 0.568 4.531 3.960 0.005 0.000 0.279 327 G HA3 0.568 4.531 3.960 0.005 0.000 0.279 327 G C -0.852 174.090 174.900 0.071 0.000 1.297 327 G CA -0.141 45.041 45.100 0.135 0.000 0.886 327 G HN 1.217 nan 8.290 nan 0.000 0.493 328 A N -0.418 122.433 122.820 0.051 0.000 2.354 328 A HA 0.881 5.204 4.320 0.005 0.000 0.321 328 A C -0.238 177.402 177.584 0.092 0.000 1.125 328 A CA -0.500 51.583 52.037 0.076 0.000 0.799 328 A CB 1.855 20.894 19.000 0.064 0.000 1.293 328 A HN 1.396 nan 8.150 nan 0.000 0.452 329 M N 2.242 121.944 119.600 0.171 0.000 2.393 329 M HA 0.580 5.063 4.480 0.005 0.000 0.316 329 M C -2.092 174.397 176.300 0.316 0.000 1.087 329 M CA -0.534 54.921 55.300 0.258 0.000 0.937 329 M CB 1.566 34.384 32.600 0.363 0.000 1.668 329 M HN 0.388 nan 8.290 nan 0.000 0.438 330 V N 5.531 125.641 119.914 0.326 0.000 2.378 330 V HA 0.343 4.466 4.120 0.005 0.000 0.288 330 V C -0.923 175.415 176.094 0.406 0.000 1.016 330 V CA -0.631 61.848 62.300 0.298 0.000 0.840 330 V CB 1.835 33.763 31.823 0.174 0.000 0.994 330 V HN 0.876 nan 8.190 nan 0.000 0.431 331 W N 6.886 128.312 121.300 0.210 0.000 2.357 331 W HA 0.602 5.265 4.660 0.005 0.000 0.317 331 W C 0.153 176.759 176.519 0.146 0.000 1.101 331 W CA -0.013 57.440 57.345 0.179 0.000 1.380 331 W CB 0.908 30.423 29.460 0.092 0.000 1.266 331 W HN 0.944 nan 8.180 nan 0.000 0.419 332 A N 5.729 128.253 122.820 -0.493 0.000 2.385 332 A HA -0.226 4.098 4.320 0.005 0.000 0.266 332 A C 0.481 177.972 177.584 -0.154 0.000 1.293 332 A CA 0.185 51.867 52.037 -0.590 0.000 0.687 332 A CB -1.574 16.908 19.000 -0.864 0.000 1.272 332 A HN 0.813 nan 8.150 nan 0.000 0.310 333 L N 1.034 122.220 121.223 -0.061 0.000 2.137 333 L HA -0.238 4.106 4.340 0.005 0.000 0.213 333 L C 2.485 179.461 176.870 0.178 0.000 1.085 333 L CA 2.243 57.180 54.840 0.162 0.000 0.760 333 L CB -0.328 41.827 42.059 0.159 0.000 0.893 333 L HN 0.961 nan 8.230 nan 0.000 0.434 334 D N -0.513 119.839 120.400 -0.080 0.000 2.363 334 D HA -0.111 4.532 4.640 0.005 0.000 0.226 334 D C 1.772 178.129 176.300 0.095 0.000 1.020 334 D CA 0.601 54.501 54.000 -0.168 0.000 0.892 334 D CB 0.127 40.666 40.800 -0.435 0.000 0.900 334 D HN 0.427 nan 8.370 nan 0.000 0.531 335 L N -0.162 121.116 121.223 0.092 0.000 2.616 335 L HA 0.170 4.513 4.340 0.005 0.000 0.229 335 L C 0.942 177.952 176.870 0.234 0.000 1.110 335 L CA -0.257 54.658 54.840 0.125 0.000 0.884 335 L CB 0.185 42.282 42.059 0.064 0.000 1.115 335 L HN -0.128 nan 8.230 nan 0.000 0.481 336 D N 0.396 120.978 120.400 0.302 0.000 2.383 336 D HA -0.022 4.622 4.640 0.005 0.000 0.248 336 D C -0.280 176.226 176.300 0.344 0.000 1.170 336 D CA -0.228 53.969 54.000 0.328 0.000 0.977 336 D CB 1.118 42.120 40.800 0.337 0.000 1.120 336 D HN -0.157 nan 8.370 nan 0.000 0.481 337 D N 1.172 121.722 120.400 0.251 0.000 2.541 337 D HA -0.030 4.613 4.640 0.005 0.000 0.231 337 D C 1.043 177.150 176.300 -0.322 0.000 1.163 337 D CA -0.226 53.773 54.000 -0.000 0.000 1.077 337 D CB -0.930 39.929 40.800 0.098 0.000 1.110 337 D HN 0.334 nan 8.370 nan 0.000 0.499 338 F N 0.940 120.602 119.950 -0.480 0.000 2.325 338 F HA 0.094 4.624 4.527 0.005 0.000 0.299 338 F C 1.802 177.251 175.800 -0.586 0.000 1.090 338 F CA 0.381 57.783 58.000 -0.996 0.000 1.392 338 F CB -0.302 38.284 39.000 -0.689 0.000 1.053 338 F HN 0.040 nan 8.300 nan 0.000 0.521 339 R N 0.670 120.617 120.500 -0.922 0.000 2.161 339 R HA 0.182 4.525 4.340 0.005 0.000 0.213 339 R C 1.652 177.787 176.300 -0.275 0.000 1.055 339 R CA 0.676 56.483 56.100 -0.488 0.000 0.996 339 R CB -0.571 29.414 30.300 -0.525 0.000 0.901 339 R HN 0.554 nan 8.270 nan 0.000 0.456 340 G N 1.137 109.787 108.800 -0.250 0.000 2.176 340 G HA2 -0.281 3.682 3.960 0.005 0.000 0.252 340 G HA3 -0.281 3.682 3.960 0.005 0.000 0.252 340 G C 0.588 175.443 174.900 -0.074 0.000 1.024 340 G CA 0.846 45.883 45.100 -0.105 0.000 0.755 340 G HN 0.475 nan 8.290 nan 0.000 0.507 341 T N -3.850 110.647 114.554 -0.096 0.000 3.132 341 T HA 0.545 4.899 4.350 0.005 0.000 0.274 341 T C 1.330 175.862 174.700 -0.279 0.000 1.011 341 T CA 0.469 62.453 62.100 -0.193 0.000 0.899 341 T CB -0.035 68.641 68.868 -0.320 0.000 1.089 341 T HN 0.153 nan 8.240 nan 0.000 0.543 342 F N 0.454 120.307 119.950 -0.162 0.000 2.653 342 F HA 0.382 4.912 4.527 0.004 0.000 0.288 342 F C 1.510 177.254 175.800 -0.094 0.000 1.121 342 F CA -0.890 57.039 58.000 -0.118 0.000 1.384 342 F CB 0.334 39.269 39.000 -0.108 0.000 1.115 342 F HN 0.215 nan 8.300 nan 0.000 0.599 343 c N 1.338 119.998 118.600 0.100 0.000 2.339 343 c HA 0.643 5.216 4.570 0.005 0.000 0.361 343 c C 1.544 175.654 174.090 0.033 0.000 1.378 343 c CA -0.180 56.172 56.329 0.037 0.000 1.763 343 c CB -1.662 40.877 42.510 0.049 0.000 2.632 343 c HN 0.842 nan 8.230 nan 0.000 0.576 344 G N 1.792 110.598 108.800 0.009 0.000 2.601 344 G HA2 -0.287 3.676 3.960 0.005 0.000 0.306 344 G HA3 -0.287 3.676 3.960 0.005 0.000 0.306 344 G C 0.291 175.194 174.900 0.005 0.000 1.172 344 G CA 0.358 45.459 45.100 0.002 0.000 0.966 344 G HN 0.856 nan 8.290 nan 0.000 0.542 345 Q N 1.575 121.388 119.800 0.021 0.000 2.873 345 Q HA -0.081 4.263 4.340 0.005 0.000 0.385 345 Q C 0.024 176.034 176.000 0.017 0.000 1.117 345 Q CA 1.398 57.215 55.803 0.024 0.000 1.167 345 Q CB -0.167 28.597 28.738 0.044 0.000 1.105 345 Q HN 0.605 nan 8.270 nan 0.000 0.444 346 N N 2.256 120.960 118.700 0.006 0.000 2.683 346 N HA 0.158 4.901 4.740 0.005 0.000 0.256 346 N C -0.715 174.803 175.510 0.013 0.000 1.270 346 N CA 0.119 53.166 53.050 -0.005 0.000 0.954 346 N CB 0.059 38.538 38.487 -0.012 0.000 1.289 346 N HN 0.464 nan 8.380 nan 0.000 0.508 347 L N 0.243 121.485 121.223 0.033 0.000 2.264 347 L HA 0.270 4.613 4.340 0.005 0.000 0.289 347 L C 0.154 177.060 176.870 0.060 0.000 1.044 347 L CA -0.294 54.581 54.840 0.058 0.000 0.807 347 L CB 0.940 43.045 42.059 0.077 0.000 1.192 347 L HN 0.039 nan 8.230 nan 0.000 0.425 348 T N 4.546 119.144 114.554 0.074 0.000 2.851 348 T HA 0.219 4.573 4.350 0.005 0.000 0.298 348 T C -0.090 174.730 174.700 0.200 0.000 0.977 348 T CA 0.287 62.416 62.100 0.047 0.000 1.126 348 T CB -0.168 68.766 68.868 0.111 0.000 0.916 348 T HN 0.447 nan 8.240 nan 0.000 0.529 349 F N 4.082 124.105 119.950 0.122 0.000 2.891 349 F HA -0.153 4.378 4.527 0.006 0.000 0.272 349 F C -1.331 174.530 175.800 0.101 0.000 1.004 349 F CA -0.164 57.912 58.000 0.127 0.000 0.938 349 F CB -1.314 37.753 39.000 0.111 0.000 0.939 349 F HN 0.534 nan 8.300 nan 0.000 0.833 350 P HA -0.176 nan 4.420 nan 0.000 0.217 350 P C 1.802 179.163 177.300 0.101 0.000 1.150 350 P CA 1.206 64.407 63.100 0.169 0.000 0.832 350 P CB 0.353 32.176 31.700 0.205 0.000 0.787 351 L N 0.006 121.251 121.223 0.037 0.000 2.005 351 L HA -0.078 4.266 4.340 0.005 0.000 0.207 351 L C 2.650 179.537 176.870 0.029 0.000 1.072 351 L CA 2.163 56.964 54.840 -0.066 0.000 0.744 351 L CB -2.124 39.811 42.059 -0.207 0.000 0.895 351 L HN -0.014 nan 8.230 nan 0.000 0.433 352 T N -1.223 113.394 114.554 0.105 0.000 2.746 352 T HA -0.153 4.200 4.350 0.005 0.000 0.267 352 T C 2.087 176.830 174.700 0.070 0.000 1.039 352 T CA 1.567 63.722 62.100 0.092 0.000 1.142 352 T CB -0.237 68.695 68.868 0.105 0.000 0.866 352 T HN 0.258 nan 8.240 nan 0.000 0.444 353 S N 1.485 117.248 115.700 0.105 0.000 2.356 353 S HA -0.042 4.431 4.470 0.005 0.000 0.223 353 S C 2.638 177.271 174.600 0.056 0.000 1.032 353 S CA 0.940 59.190 58.200 0.084 0.000 1.005 353 S CB -0.660 62.610 63.200 0.116 0.000 0.867 353 S HN 0.606 nan 8.310 nan 0.000 0.449 354 A N 1.281 124.131 122.820 0.051 0.000 1.917 354 A HA -0.116 4.207 4.320 0.005 0.000 0.219 354 A C 2.352 179.947 177.584 0.018 0.000 1.182 354 A CA 1.862 53.917 52.037 0.031 0.000 0.633 354 A CB -1.043 17.969 19.000 0.019 0.000 0.819 354 A HN 0.356 nan 8.150 nan 0.000 0.448 355 V N 0.230 120.155 119.914 0.018 0.000 2.343 355 V HA -0.266 3.858 4.120 0.005 0.000 0.247 355 V C 2.550 178.646 176.094 0.003 0.000 1.051 355 V CA 2.360 64.665 62.300 0.008 0.000 1.036 355 V CB -0.663 31.172 31.823 0.019 0.000 0.654 355 V HN 0.712 nan 8.190 nan 0.000 0.451 356 K N -0.052 120.358 120.400 0.017 0.000 2.057 356 K HA -0.241 4.082 4.320 0.005 0.000 0.207 356 K C 1.832 178.443 176.600 0.018 0.000 1.049 356 K CA 1.953 58.253 56.287 0.020 0.000 0.931 356 K CB -0.254 32.264 32.500 0.029 0.000 0.714 356 K HN 0.434 nan 8.250 nan 0.000 0.440 357 D N 0.409 120.821 120.400 0.020 0.000 2.123 357 D HA -0.146 4.498 4.640 0.005 0.000 0.196 357 D C 1.971 178.274 176.300 0.005 0.000 0.992 357 D CA 1.049 55.060 54.000 0.019 0.000 0.833 357 D CB -0.195 40.618 40.800 0.023 0.000 0.954 357 D HN 0.049 nan 8.370 nan 0.000 0.455 358 V N 0.727 120.635 119.914 -0.010 0.000 2.358 358 V HA -0.195 3.928 4.120 0.005 0.000 0.246 358 V C 2.448 178.500 176.094 -0.071 0.000 1.047 358 V CA 0.917 63.198 62.300 -0.032 0.000 1.035 358 V CB -0.312 31.488 31.823 -0.039 0.000 0.658 358 V HN 0.122 nan 8.190 nan 0.000 0.452 359 L N 0.645 121.811 121.223 -0.095 0.000 2.079 359 L HA -0.105 4.239 4.340 0.005 0.000 0.210 359 L C 2.425 179.295 176.870 0.001 0.000 1.081 359 L CA 2.177 56.925 54.840 -0.154 0.000 0.752 359 L CB -1.176 40.827 42.059 -0.093 0.000 0.896 359 L HN 0.318 nan 8.230 nan 0.000 0.433 360 A N -1.553 121.286 122.820 0.032 0.000 2.248 360 A HA -0.149 4.174 4.320 0.005 0.000 0.210 360 A C 2.418 180.040 177.584 0.064 0.000 1.174 360 A CA 0.915 52.990 52.037 0.065 0.000 0.750 360 A CB -0.635 18.393 19.000 0.046 0.000 0.780 360 A HN 0.376 nan 8.150 nan 0.000 0.478 361 R N -0.829 119.700 120.500 0.047 0.000 2.189 361 R HA 0.306 4.649 4.340 0.005 0.000 0.203 361 R C 1.353 177.698 176.300 0.076 0.000 1.012 361 R CA 0.566 56.694 56.100 0.046 0.000 1.015 361 R CB -0.258 30.050 30.300 0.014 0.000 0.938 361 R HN 0.497 nan 8.270 nan 0.000 0.472 362 A N 0.000 122.904 122.820 0.140 0.000 2.254 362 A HA 0.000 4.323 4.320 0.005 0.000 0.244 362 A CA 0.000 52.119 52.037 0.137 0.000 0.836 362 A CB 0.000 19.149 19.000 0.249 0.000 0.831 362 A HN 0.000 nan 8.150 nan 0.000 0.486