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 3god_1_D DATA FIRST_RESID 9 DATA SEQUENCE LKTILHSKRA NLYYLQHCRV LVNGGRVEYV TDEGRHSHYW NIPIANTTSL DATA SEQUENCE LLGTGTSITQ AAXRELARAG VLVGFCGGGG TPLFSANEVD VXXXXXXXXX DATA SEQUENCE XXXXXEYLQR WVGFWFDEEK RLVAARHFQR ARLERIRHSW LEDRVLRDAG DATA SEQUENCE FAVDATALAV AVEDSARALE QAPNHEHLLT EEARLSKRLF KLAAQATRYG DATA SEQUENCE EFVRAKRGSG GDPANRFLDH GNYLAYGLAA TATWVLGIPH GLAVLHGKTR DATA SEQUENCE RGGLVFDVAD LIKDSLILPQ AFLSAXRGDE EQDFRQACLD NLSRAQALDF DATA SEQUENCE XIDTLKDVAQ RST 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 9 L HA 0.000 nan 4.340 nan 0.000 0.249 9 L C 0.000 176.874 176.870 0.006 0.000 1.165 9 L CA 0.000 54.843 54.840 0.005 0.000 0.813 9 L CB 0.000 42.059 42.059 0.000 0.000 0.961 10 K N 0.681 121.088 120.400 0.013 0.000 2.276 10 K HA 0.400 4.720 4.320 -0.000 0.000 0.259 10 K C 0.870 177.469 176.600 -0.001 0.000 1.001 10 K CA 0.148 56.445 56.287 0.017 0.000 0.927 10 K CB 0.860 33.379 32.500 0.032 0.000 0.969 10 K HN 0.803 nan 8.250 nan 0.000 0.490 11 T N -3.105 111.441 114.554 -0.012 0.000 3.041 11 T HA 0.277 4.627 4.350 -0.000 0.000 0.276 11 T C 0.406 175.063 174.700 -0.073 0.000 0.948 11 T CA -0.266 61.814 62.100 -0.033 0.000 0.885 11 T CB 0.307 69.159 68.868 -0.028 0.000 1.175 11 T HN 0.299 nan 8.240 nan 0.000 0.529 12 I N 2.643 123.144 120.570 -0.115 0.000 2.447 12 I HA 0.500 4.670 4.170 -0.000 0.000 0.287 12 I C -1.057 174.894 176.117 -0.277 0.000 1.023 12 I CA -1.437 59.698 61.300 -0.274 0.000 1.083 12 I CB 1.803 39.466 38.000 -0.561 0.000 1.245 12 I HN 0.128 nan 8.210 nan 0.000 0.434 13 L N 7.154 128.261 121.223 -0.192 0.000 2.283 13 L HA 0.321 4.661 4.340 -0.000 0.000 0.287 13 L C -0.074 176.706 176.870 -0.149 0.000 1.073 13 L CA 0.200 54.975 54.840 -0.109 0.000 0.822 13 L CB -0.188 41.847 42.059 -0.040 0.000 1.186 13 L HN 0.354 nan 8.230 nan 0.000 0.436 14 H N 3.318 122.382 119.070 -0.010 0.000 2.723 14 H HA 0.095 4.651 4.556 -0.000 0.000 0.294 14 H C -0.014 175.303 175.328 -0.018 0.000 1.079 14 H CA -0.165 55.872 56.048 -0.018 0.000 1.411 14 H CB 1.174 30.918 29.762 -0.030 0.000 1.439 14 H HN 0.650 nan 8.280 nan 0.000 0.474 15 S N 4.512 120.254 115.700 0.070 0.000 2.437 15 S HA 0.003 4.473 4.470 -0.000 0.000 0.304 15 S C 0.453 175.078 174.600 0.043 0.000 1.167 15 S CA -0.475 57.751 58.200 0.044 0.000 1.106 15 S CB -0.277 62.937 63.200 0.022 0.000 1.099 15 S HN 0.500 nan 8.310 nan 0.000 0.524 16 K N 3.630 124.043 120.400 0.021 0.000 2.436 16 K HA 0.161 4.481 4.320 -0.000 0.000 0.275 16 K C 1.139 177.721 176.600 -0.030 0.000 0.999 16 K CA -0.102 56.168 56.287 -0.028 0.000 0.980 16 K CB 0.425 32.884 32.500 -0.068 0.000 0.919 16 K HN 0.659 nan 8.250 nan 0.000 0.484 17 R N 1.670 122.139 120.500 -0.051 0.000 2.580 17 R HA 0.183 4.523 4.340 -0.000 0.000 0.169 17 R C -0.033 176.229 176.300 -0.063 0.000 1.399 17 R CA -0.081 55.993 56.100 -0.043 0.000 1.206 17 R CB -0.451 29.828 30.300 -0.034 0.000 1.215 17 R HN 0.592 nan 8.270 nan 0.000 0.486 18 A N 2.166 124.934 122.820 -0.086 0.000 2.488 18 A HA 0.109 4.429 4.320 -0.000 0.000 0.249 18 A C -0.309 177.195 177.584 -0.133 0.000 1.083 18 A CA -0.020 51.956 52.037 -0.103 0.000 0.768 18 A CB -0.224 18.709 19.000 -0.111 0.000 1.017 18 A HN 0.319 nan 8.150 nan 0.000 0.496 19 N N 1.149 119.793 118.700 -0.094 0.000 3.254 19 N HA 0.280 5.020 4.740 -0.000 0.000 0.308 19 N C -0.817 174.662 175.510 -0.053 0.000 1.281 19 N CA 0.030 53.042 53.050 -0.063 0.000 1.212 19 N CB -0.064 38.466 38.487 0.072 0.000 1.478 19 N HN 0.510 nan 8.380 nan 0.000 0.548 20 L N 1.952 123.035 121.223 -0.235 0.000 2.313 20 L HA 0.470 4.810 4.340 -0.000 0.000 0.283 20 L C -1.427 175.235 176.870 -0.345 0.000 1.013 20 L CA -1.122 53.640 54.840 -0.130 0.000 0.816 20 L CB 0.194 42.200 42.059 -0.089 0.000 1.236 20 L HN 0.223 nan 8.230 nan 0.000 0.419 21 Y N 4.326 124.597 120.300 -0.047 0.000 2.409 21 Y HA 0.415 4.965 4.550 -0.000 0.000 0.339 21 Y C -0.851 175.001 175.900 -0.080 0.000 1.033 21 Y CA -0.552 57.504 58.100 -0.073 0.000 1.094 21 Y CB 1.739 40.115 38.460 -0.141 0.000 1.210 21 Y HN 0.584 nan 8.280 nan 0.000 0.456 22 Y N 3.741 124.004 120.300 -0.062 0.000 2.342 22 Y HA 0.694 5.244 4.550 -0.000 0.000 0.334 22 Y C -1.459 174.298 175.900 -0.238 0.000 1.067 22 Y CA -0.919 57.104 58.100 -0.129 0.000 1.128 22 Y CB 0.724 39.123 38.460 -0.103 0.000 1.200 22 Y HN 0.499 nan 8.280 nan 0.000 0.464 23 L N 6.305 126.956 121.223 -0.954 0.000 2.354 23 L HA 0.582 4.922 4.340 -0.000 0.000 0.269 23 L C -1.176 175.191 176.870 -0.839 0.000 1.005 23 L CA -0.983 53.276 54.840 -0.968 0.000 0.819 23 L CB 2.239 43.698 42.059 -1.000 0.000 1.311 23 L HN 0.734 nan 8.230 nan 0.000 0.423 24 Q N 0.786 120.434 119.800 -0.252 0.000 2.435 24 Q HA 0.378 4.718 4.340 -0.000 0.000 0.282 24 Q C -0.943 175.111 176.000 0.089 0.000 1.020 24 Q CA -0.923 54.782 55.803 -0.162 0.000 0.820 24 Q CB 1.693 30.434 28.738 0.005 0.000 1.436 24 Q HN 0.623 nan 8.270 nan 0.000 0.395 25 H N -1.113 118.043 119.070 0.144 0.000 2.677 25 H HA -0.168 4.388 4.556 -0.000 0.000 0.321 25 H C -0.419 175.045 175.328 0.227 0.000 1.171 25 H CA 1.153 57.306 56.048 0.174 0.000 1.139 25 H CB -1.741 28.126 29.762 0.176 0.000 1.515 25 H HN 0.954 nan 8.280 nan 0.000 0.423 26 C N -1.534 117.919 119.300 0.255 0.000 3.318 26 C HA 0.779 5.239 4.460 -0.000 0.000 0.322 26 C C -0.030 175.074 174.990 0.190 0.000 1.398 26 C CA -1.323 57.863 59.018 0.280 0.000 1.339 26 C CB 2.570 30.535 27.740 0.375 0.000 1.668 26 C HN 0.599 nan 8.230 nan 0.000 0.462 27 R N 0.996 121.610 120.500 0.191 0.000 2.387 27 R HA 0.731 5.071 4.340 -0.000 0.000 0.314 27 R C -1.325 175.039 176.300 0.107 0.000 0.958 27 R CA -0.334 55.844 56.100 0.129 0.000 0.846 27 R CB 1.536 31.901 30.300 0.107 0.000 1.147 27 R HN 0.783 nan 8.270 nan 0.000 0.447 28 V N 6.993 126.939 119.914 0.052 0.000 2.383 28 V HA 0.402 4.521 4.120 -0.000 0.000 0.275 28 V C -0.270 175.777 176.094 -0.079 0.000 1.036 28 V CA -0.472 61.792 62.300 -0.060 0.000 0.889 28 V CB 0.681 32.474 31.823 -0.050 0.000 0.985 28 V HN 0.650 nan 8.190 nan 0.000 0.459 29 L N 4.224 125.364 121.223 -0.139 0.000 2.485 29 L HA 0.919 5.259 4.340 -0.000 0.000 0.245 29 L C -0.755 176.045 176.870 -0.117 0.000 1.137 29 L CA -1.067 53.721 54.840 -0.086 0.000 0.954 29 L CB 1.679 43.717 42.059 -0.036 0.000 1.560 29 L HN 0.184 nan 8.230 nan 0.000 0.403 30 V N 0.479 120.352 119.914 -0.069 0.000 2.577 30 V HA 0.570 4.690 4.120 -0.000 0.000 0.303 30 V C -1.137 174.935 176.094 -0.035 0.000 1.042 30 V CA -0.304 61.959 62.300 -0.061 0.000 0.872 30 V CB 1.640 33.437 31.823 -0.043 0.000 0.998 30 V HN 0.817 nan 8.190 nan 0.000 0.423 31 N N 2.648 121.330 118.700 -0.030 0.000 2.399 31 N HA 0.588 5.328 4.740 -0.000 0.000 0.280 31 N C 0.493 175.997 175.510 -0.010 0.000 1.008 31 N CA 0.169 53.211 53.050 -0.013 0.000 0.894 31 N CB 1.799 40.283 38.487 -0.005 0.000 1.273 31 N HN 1.099 nan 8.380 nan 0.000 0.486 32 G N 1.918 110.714 108.800 -0.007 0.000 2.393 32 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.299 32 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.299 32 G C 1.043 175.940 174.900 -0.005 0.000 0.990 32 G CA 0.829 45.926 45.100 -0.004 0.000 1.118 32 G HN 1.242 nan 8.290 nan 0.000 0.513 33 G N -0.978 107.816 108.800 -0.009 0.000 2.189 33 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.267 33 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.267 33 G C 0.536 175.430 174.900 -0.011 0.000 0.975 33 G CA 1.273 46.368 45.100 -0.009 0.000 0.644 33 G HN 1.350 nan 8.290 nan 0.000 0.537 34 R N 0.369 120.860 120.500 -0.014 0.000 2.387 34 R HA 0.546 4.886 4.340 -0.000 0.000 0.314 34 R C 0.005 176.274 176.300 -0.050 0.000 0.958 34 R CA -0.611 55.480 56.100 -0.015 0.000 0.846 34 R CB 1.320 31.622 30.300 0.004 0.000 1.147 34 R HN 0.050 nan 8.270 nan 0.000 0.447 35 V N 4.843 124.712 119.914 -0.075 0.000 2.479 35 V HA 0.100 4.220 4.120 -0.000 0.000 0.281 35 V C 0.254 176.174 176.094 -0.291 0.000 1.031 35 V CA 0.565 62.753 62.300 -0.188 0.000 1.038 35 V CB 0.852 32.563 31.823 -0.187 0.000 0.981 35 V HN 0.825 nan 8.190 nan 0.000 0.478 36 E N 3.391 123.342 120.200 -0.415 0.000 2.410 36 E HA 0.619 4.969 4.350 -0.000 0.000 0.269 36 E C -1.836 174.411 176.600 -0.589 0.000 0.937 36 E CA -0.825 55.367 56.400 -0.346 0.000 0.793 36 E CB 2.671 32.341 29.700 -0.050 0.000 1.314 36 E HN 0.627 nan 8.360 nan 0.000 0.447 37 Y N -0.340 120.057 120.300 0.162 0.000 2.346 37 Y HA 0.488 5.038 4.550 -0.000 0.000 0.332 37 Y C -0.616 175.420 175.900 0.226 0.000 0.985 37 Y CA -0.972 57.242 58.100 0.190 0.000 1.112 37 Y CB 1.538 40.152 38.460 0.257 0.000 1.170 37 Y HN 0.103 nan 8.280 nan 0.000 0.447 38 V N 2.713 122.810 119.914 0.305 0.000 2.680 38 V HA 0.709 4.829 4.120 -0.000 0.000 0.309 38 V C -0.074 176.160 176.094 0.234 0.000 1.052 38 V CA -0.649 61.789 62.300 0.230 0.000 0.908 38 V CB 2.324 34.231 31.823 0.140 0.000 1.001 38 V HN 0.917 nan 8.190 nan 0.000 0.431 39 T N -1.260 113.414 114.554 0.200 0.000 2.883 39 T HA 0.376 4.726 4.350 -0.000 0.000 0.284 39 T C 0.475 175.244 174.700 0.114 0.000 1.041 39 T CA -0.550 61.654 62.100 0.174 0.000 1.007 39 T CB 1.616 70.584 68.868 0.167 0.000 1.220 39 T HN 0.413 nan 8.240 nan 0.000 0.552 40 D N 0.442 120.899 120.400 0.094 0.000 2.221 40 D HA -0.057 4.582 4.640 -0.000 0.000 0.204 40 D C 1.023 177.353 176.300 0.051 0.000 0.982 40 D CA 1.176 55.215 54.000 0.066 0.000 0.857 40 D CB 0.109 40.942 40.800 0.055 0.000 0.934 40 D HN 0.703 nan 8.370 nan 0.000 0.475 41 E N 0.038 120.267 120.200 0.048 0.000 2.511 41 E HA 0.419 4.768 4.350 -0.000 0.000 0.214 41 E C 0.914 177.536 176.600 0.037 0.000 1.062 41 E CA -0.178 56.242 56.400 0.033 0.000 1.213 41 E CB 0.436 30.146 29.700 0.018 0.000 1.214 41 E HN 0.161 nan 8.360 nan 0.000 0.441 42 G N 2.251 111.083 108.800 0.054 0.000 2.587 42 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.212 42 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.212 42 G C -0.376 174.580 174.900 0.094 0.000 1.327 42 G CA -0.672 44.464 45.100 0.059 0.000 0.898 42 G HN 0.355 nan 8.290 nan 0.000 0.551 43 R N 0.489 121.048 120.500 0.098 0.000 2.583 43 R HA 0.121 4.461 4.340 -0.000 0.000 0.274 43 R C 0.828 177.247 176.300 0.199 0.000 0.998 43 R CA -0.047 56.151 56.100 0.163 0.000 1.081 43 R CB -0.029 30.341 30.300 0.116 0.000 0.940 43 R HN 0.709 nan 8.270 nan 0.000 0.413 44 H N 1.999 121.194 119.070 0.208 0.000 2.790 44 H HA -0.045 4.511 4.556 -0.000 0.000 0.358 44 H C 0.770 176.226 175.328 0.213 0.000 1.103 44 H CA 1.093 57.231 56.048 0.151 0.000 1.426 44 H CB 1.154 30.975 29.762 0.099 0.000 1.424 44 H HN 0.830 nan 8.280 nan 0.000 0.599 45 S N 3.258 118.894 115.700 -0.106 0.000 2.428 45 S HA -0.130 4.340 4.470 -0.000 0.000 0.230 45 S C 1.016 175.806 174.600 0.318 0.000 1.014 45 S CA 1.153 59.418 58.200 0.107 0.000 0.957 45 S CB -0.002 63.153 63.200 -0.075 0.000 0.784 45 S HN 0.761 nan 8.310 nan 0.000 0.499 46 H N -0.927 118.210 119.070 0.112 0.000 2.501 46 H HA 0.371 4.927 4.556 -0.000 0.000 0.281 46 H C 1.519 176.473 175.328 -0.622 0.000 0.988 46 H CA 0.481 56.375 56.048 -0.258 0.000 1.232 46 H CB -0.546 29.096 29.762 -0.200 0.000 1.455 46 H HN 0.402 nan 8.280 nan 0.000 0.501 47 Y N 1.199 121.396 120.300 -0.172 0.000 2.224 47 Y HA -0.283 4.267 4.550 -0.000 0.000 0.289 47 Y C 2.058 177.531 175.900 -0.712 0.000 1.146 47 Y CA 0.508 58.171 58.100 -0.729 0.000 1.182 47 Y CB -0.355 37.346 38.460 -1.266 0.000 0.983 47 Y HN 0.410 nan 8.280 nan 0.000 0.524 48 W N 0.639 121.975 121.300 0.060 0.000 2.316 48 W HA -0.303 4.356 4.660 -0.000 0.000 0.279 48 W C 0.885 177.452 176.519 0.080 0.000 1.208 48 W CA 1.230 58.685 57.345 0.183 0.000 1.182 48 W CB -1.092 28.467 29.460 0.165 0.000 1.134 48 W HN 0.162 nan 8.180 nan 0.000 0.560 49 N N 0.796 119.055 118.700 -0.735 0.000 2.336 49 N HA 0.137 4.877 4.740 -0.000 0.000 0.189 49 N C 0.000 175.267 175.510 -0.405 0.000 1.113 49 N CA -0.042 52.620 53.050 -0.646 0.000 0.858 49 N CB -0.302 37.447 38.487 -1.229 0.000 0.970 49 N HN 0.033 nan 8.380 nan 0.000 0.471 50 I N 2.061 122.367 120.570 -0.440 0.000 2.471 50 I HA 0.148 4.317 4.170 -0.000 0.000 0.286 50 I C -1.974 173.915 176.117 -0.380 0.000 1.079 50 I CA -1.624 59.294 61.300 -0.637 0.000 1.398 50 I CB 0.807 38.317 38.000 -0.818 0.000 1.403 50 I HN -0.043 nan 8.210 nan 0.000 0.530 51 P HA 0.285 nan 4.420 nan 0.000 0.281 51 P C -0.442 176.788 177.300 -0.117 0.000 1.252 51 P CA -0.148 62.865 63.100 -0.145 0.000 0.778 51 P CB 0.611 32.265 31.700 -0.077 0.000 0.895 52 I N 2.532 123.077 120.570 -0.043 0.000 2.417 52 I HA 0.421 4.591 4.170 -0.000 0.000 0.283 52 I C 0.371 176.484 176.117 -0.006 0.000 1.121 52 I CA -0.225 61.063 61.300 -0.021 0.000 1.211 52 I CB 0.146 38.150 38.000 0.006 0.000 1.492 52 I HN 0.355 nan 8.210 nan 0.000 0.522 53 A N 3.789 126.605 122.820 -0.006 0.000 2.346 53 A HA 0.415 4.734 4.320 -0.000 0.000 0.313 53 A C 0.979 178.564 177.584 0.001 0.000 1.140 53 A CA -0.767 51.272 52.037 0.003 0.000 0.826 53 A CB 0.772 19.777 19.000 0.009 0.000 1.332 53 A HN 0.629 nan 8.150 nan 0.000 0.457 54 N N -0.098 118.602 118.700 -0.000 0.000 2.635 54 N HA -0.127 4.613 4.740 -0.000 0.000 0.191 54 N C 0.805 176.308 175.510 -0.012 0.000 1.155 54 N CA 1.665 54.711 53.050 -0.007 0.000 0.927 54 N CB -0.705 37.777 38.487 -0.008 0.000 0.976 54 N HN 0.612 nan 8.380 nan 0.000 0.448 55 T N -5.105 109.447 114.554 -0.002 0.000 3.060 55 T HA 0.107 4.457 4.350 -0.000 0.000 0.249 55 T C 0.592 175.294 174.700 0.004 0.000 1.079 55 T CA -0.279 61.818 62.100 -0.004 0.000 1.013 55 T CB -0.425 68.450 68.868 0.011 0.000 0.975 55 T HN 0.027 nan 8.240 nan 0.000 0.518 56 T N 2.600 117.167 114.554 0.021 0.000 2.913 56 T HA 0.496 4.845 4.350 -0.000 0.000 0.297 56 T C -0.193 174.516 174.700 0.015 0.000 1.029 56 T CA -0.310 61.824 62.100 0.058 0.000 1.104 56 T CB 1.222 70.115 68.868 0.043 0.000 0.964 56 T HN 0.161 nan 8.240 nan 0.000 0.532 57 S N 1.444 117.174 115.700 0.050 0.000 2.557 57 S HA 0.625 5.095 4.470 -0.000 0.000 0.291 57 S C -1.317 173.362 174.600 0.132 0.000 1.116 57 S CA -0.665 57.551 58.200 0.027 0.000 0.992 57 S CB 0.994 64.137 63.200 -0.095 0.000 1.028 57 S HN 0.421 nan 8.310 nan 0.000 0.484 58 L N 3.793 125.096 121.223 0.133 0.000 2.356 58 L HA 0.623 4.962 4.340 -0.000 0.000 0.277 58 L C -1.280 175.587 176.870 -0.005 0.000 0.996 58 L CA -0.257 54.606 54.840 0.038 0.000 0.822 58 L CB 1.398 43.431 42.059 -0.042 0.000 1.256 58 L HN 0.585 nan 8.230 nan 0.000 0.413 59 L N 5.266 126.439 121.223 -0.084 0.000 2.305 59 L HA 0.471 4.811 4.340 -0.000 0.000 0.284 59 L C -1.093 175.532 176.870 -0.408 0.000 1.013 59 L CA -0.764 53.964 54.840 -0.187 0.000 0.819 59 L CB 1.572 43.611 42.059 -0.034 0.000 1.227 59 L HN 0.313 nan 8.230 nan 0.000 0.417 60 L N 3.424 124.341 121.223 -0.509 0.000 2.262 60 L HA 0.588 4.928 4.340 -0.000 0.000 0.288 60 L C 0.663 177.338 176.870 -0.325 0.000 1.035 60 L CA 0.223 54.741 54.840 -0.537 0.000 0.820 60 L CB 1.024 42.648 42.059 -0.725 0.000 1.204 60 L HN 0.620 nan 8.230 nan 0.000 0.424 61 G N 1.691 110.228 108.800 -0.437 0.000 3.019 61 G HA2 0.306 4.266 3.960 -0.000 0.000 0.152 61 G HA3 0.306 4.266 3.960 -0.000 0.000 0.152 61 G C -0.504 174.363 174.900 -0.055 0.000 1.320 61 G CA -0.350 44.658 45.100 -0.152 0.000 1.013 61 G HN 0.395 nan 8.290 nan 0.000 0.593 62 T N 0.723 115.280 114.554 0.005 0.000 2.866 62 T HA 0.352 4.702 4.350 -0.000 0.000 0.293 62 T C 1.383 175.898 174.700 -0.308 0.000 1.005 62 T CA 1.472 63.529 62.100 -0.071 0.000 1.162 62 T CB 0.248 69.094 68.868 -0.036 0.000 0.968 62 T HN 1.855 nan 8.240 nan 0.000 0.530 63 G N 3.203 111.927 108.800 -0.127 0.000 2.249 63 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.273 63 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.273 63 G C 0.296 175.194 174.900 -0.004 0.000 1.036 63 G CA 0.346 45.414 45.100 -0.053 0.000 0.824 63 G HN 1.167 nan 8.290 nan 0.000 0.504 64 T N -2.165 112.396 114.554 0.012 0.000 2.944 64 T HA 0.858 5.208 4.350 -0.000 0.000 0.284 64 T C 0.192 174.968 174.700 0.128 0.000 1.010 64 T CA 0.335 62.468 62.100 0.054 0.000 1.025 64 T CB 2.400 71.256 68.868 -0.019 0.000 1.079 64 T HN 1.605 nan 8.240 nan 0.000 0.516 65 S N 0.373 116.151 115.700 0.129 0.000 2.638 65 S HA 0.795 5.265 4.470 -0.000 0.000 0.274 65 S C -1.210 173.474 174.600 0.140 0.000 1.157 65 S CA -0.979 57.312 58.200 0.152 0.000 0.826 65 S CB 1.486 64.742 63.200 0.094 0.000 1.139 65 S HN 1.054 nan 8.310 nan 0.000 0.474 66 I N 1.308 121.970 120.570 0.153 0.000 2.802 66 I HA 0.617 4.787 4.170 -0.000 0.000 0.298 66 I C -0.398 175.763 176.117 0.073 0.000 1.176 66 I CA -0.384 60.979 61.300 0.105 0.000 1.025 66 I CB 2.429 40.513 38.000 0.141 0.000 1.243 66 I HN 1.102 nan 8.210 nan 0.000 0.424 67 T N 1.670 116.245 114.554 0.035 0.000 2.912 67 T HA 0.225 4.575 4.350 -0.000 0.000 0.280 67 T C 0.611 175.325 174.700 0.023 0.000 0.989 67 T CA -0.379 61.735 62.100 0.024 0.000 0.995 67 T CB 1.621 70.493 68.868 0.007 0.000 1.077 67 T HN 0.710 nan 8.240 nan 0.000 0.531 68 Q N 0.367 120.178 119.800 0.018 0.000 2.084 68 Q HA -0.132 4.208 4.340 -0.000 0.000 0.202 68 Q C 2.303 178.308 176.000 0.007 0.000 0.978 68 Q CA 1.962 57.774 55.803 0.016 0.000 0.844 68 Q CB -0.878 27.867 28.738 0.012 0.000 0.898 68 Q HN 0.899 nan 8.270 nan 0.000 0.426 69 A N 1.327 124.147 122.820 -0.000 0.000 1.908 69 A HA 0.041 4.361 4.320 -0.000 0.000 0.218 69 A C 1.519 179.093 177.584 -0.017 0.000 1.181 69 A CA 1.281 53.313 52.037 -0.008 0.000 0.627 69 A CB -1.013 17.980 19.000 -0.011 0.000 0.818 69 A HN 0.551 nan 8.150 nan 0.000 0.445 73 E N 1.671 121.866 120.200 -0.008 0.000 2.106 73 E HA -0.060 4.290 4.350 -0.000 0.000 0.192 73 E C 2.001 178.596 176.600 -0.008 0.000 0.984 73 E CA 1.112 57.505 56.400 -0.011 0.000 0.806 73 E CB 0.029 29.716 29.700 -0.022 0.000 0.750 73 E HN 0.412 nan 8.360 nan 0.000 0.458 74 L N 0.355 121.573 121.223 -0.009 0.000 2.027 74 L HA -0.121 4.219 4.340 -0.000 0.000 0.206 74 L C 2.533 179.408 176.870 0.007 0.000 1.074 74 L CA 1.231 56.070 54.840 -0.002 0.000 0.745 74 L CB -0.564 41.494 42.059 -0.003 0.000 0.898 74 L HN 0.051 nan 8.230 nan 0.000 0.433 75 A N -0.188 122.639 122.820 0.013 0.000 1.930 75 A HA -0.207 4.113 4.320 -0.000 0.000 0.217 75 A C 2.432 180.022 177.584 0.010 0.000 1.175 75 A CA 1.342 53.389 52.037 0.017 0.000 0.627 75 A CB -0.546 18.468 19.000 0.023 0.000 0.815 75 A HN 0.280 nan 8.150 nan 0.000 0.443 76 R N -0.450 120.054 120.500 0.007 0.000 2.103 76 R HA -0.158 4.182 4.340 -0.000 0.000 0.242 76 R C 1.927 178.229 176.300 0.003 0.000 1.142 76 R CA 1.416 57.518 56.100 0.004 0.000 0.960 76 R CB -0.293 30.008 30.300 0.002 0.000 0.858 76 R HN 0.466 nan 8.270 nan 0.000 0.439 77 A N -0.599 122.222 122.820 0.003 0.000 2.238 77 A HA 0.205 4.524 4.320 -0.000 0.000 0.208 77 A C 1.174 178.759 177.584 0.001 0.000 1.177 77 A CA 0.707 52.745 52.037 0.002 0.000 0.804 77 A CB -0.058 18.944 19.000 0.002 0.000 0.823 77 A HN 0.541 nan 8.150 nan 0.000 0.482 78 G N -1.055 107.746 108.800 0.001 0.000 2.160 78 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.251 78 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.251 78 G C 0.123 175.019 174.900 -0.007 0.000 1.008 78 G CA 0.225 45.323 45.100 -0.004 0.000 0.724 78 G HN 0.854 nan 8.290 nan 0.000 0.514 79 V N 1.644 121.559 119.914 0.002 0.000 2.405 79 V HA 0.400 4.520 4.120 -0.000 0.000 0.264 79 V C 1.244 177.352 176.094 0.024 0.000 1.048 79 V CA -0.363 61.940 62.300 0.005 0.000 0.966 79 V CB 1.143 32.970 31.823 0.007 0.000 1.015 79 V HN 0.343 nan 8.190 nan 0.000 0.477 80 L N 5.460 126.692 121.223 0.016 0.000 2.397 80 L HA 0.452 4.792 4.340 -0.000 0.000 0.271 80 L C -0.222 176.769 176.870 0.202 0.000 1.148 80 L CA -0.114 54.783 54.840 0.095 0.000 0.825 80 L CB 1.365 43.402 42.059 -0.036 0.000 1.117 80 L HN 0.378 nan 8.230 nan 0.000 0.456 81 V N 1.709 121.779 119.914 0.259 0.000 2.656 81 V HA 0.807 4.927 4.120 -0.000 0.000 0.307 81 V C 0.251 176.392 176.094 0.078 0.000 1.051 81 V CA -0.464 61.905 62.300 0.116 0.000 0.893 81 V CB 1.748 33.570 31.823 -0.002 0.000 0.999 81 V HN 0.908 nan 8.190 nan 0.000 0.426 82 G N 2.205 110.912 108.800 -0.155 0.000 2.680 82 G HA2 0.782 4.742 3.960 -0.000 0.000 0.290 82 G HA3 0.782 4.742 3.960 -0.000 0.000 0.290 82 G C -1.919 172.724 174.900 -0.428 0.000 1.355 82 G CA -0.544 44.343 45.100 -0.355 0.000 0.903 82 G HN 0.357 nan 8.290 nan 0.000 0.474 83 F N 0.260 120.115 119.950 -0.158 0.000 2.482 83 F HA 0.587 5.114 4.527 -0.000 0.000 0.331 83 F C 0.794 176.524 175.800 -0.117 0.000 1.115 83 F CA -0.577 57.398 58.000 -0.042 0.000 0.955 83 F CB 2.122 41.180 39.000 0.098 0.000 1.136 83 F HN 0.730 nan 8.300 nan 0.000 0.452 84 C N 0.485 119.768 119.300 -0.029 0.000 3.080 84 C HA 0.973 5.433 4.460 -0.000 0.000 0.307 84 C C 0.548 175.307 174.990 -0.385 0.000 1.311 84 C CA -0.799 57.956 59.018 -0.438 0.000 1.533 84 C CB 0.986 28.598 27.740 -0.213 0.000 1.970 84 C HN 1.043 nan 8.230 nan 0.000 0.467 85 G N 0.208 108.621 108.800 -0.645 0.000 2.570 85 G HA2 0.495 4.454 3.960 -0.000 0.000 0.276 85 G HA3 0.495 4.454 3.960 -0.000 0.000 0.276 85 G C 0.502 175.464 174.900 0.102 0.000 1.346 85 G CA -0.011 45.062 45.100 -0.046 0.000 1.034 85 G HN 1.617 nan 8.290 nan 0.000 0.512 86 G N -1.931 106.959 108.800 0.150 0.000 2.313 86 G HA2 0.512 4.472 3.960 -0.000 0.000 0.250 86 G HA3 0.512 4.472 3.960 -0.000 0.000 0.250 86 G C 1.167 176.059 174.900 -0.012 0.000 1.281 86 G CA 0.788 45.968 45.100 0.133 0.000 0.917 86 G HN 1.959 nan 8.290 nan 0.000 0.501 87 G N 0.750 109.426 108.800 -0.206 0.000 2.143 87 G HA2 0.198 4.157 3.960 -0.000 0.000 0.249 87 G HA3 0.198 4.157 3.960 -0.000 0.000 0.249 87 G C 1.289 175.945 174.900 -0.407 0.000 0.981 87 G CA 0.866 45.706 45.100 -0.434 0.000 0.665 87 G HN 2.598 nan 8.290 nan 0.000 0.528 88 G N -2.309 106.366 108.800 -0.209 0.000 2.141 88 G HA2 0.234 4.194 3.960 -0.000 0.000 0.231 88 G HA3 0.234 4.194 3.960 -0.000 0.000 0.231 88 G C 0.444 175.271 174.900 -0.122 0.000 0.984 88 G CA 1.477 46.539 45.100 -0.063 0.000 0.660 88 G HN 2.398 nan 8.290 nan 0.000 0.525 89 T N 0.177 114.641 114.554 -0.150 0.000 2.932 89 T HA 0.671 5.021 4.350 -0.000 0.000 0.318 89 T C -2.912 171.664 174.700 -0.207 0.000 1.265 89 T CA -0.594 61.381 62.100 -0.208 0.000 1.036 89 T CB 2.533 71.298 68.868 -0.172 0.000 1.209 89 T HN 0.017 nan 8.240 nan 0.000 0.484 90 P HA 0.337 nan 4.420 nan 0.000 0.274 90 P C -0.877 176.094 177.300 -0.548 0.000 1.260 90 P CA -0.718 62.145 63.100 -0.394 0.000 0.793 90 P CB 0.343 31.872 31.700 -0.286 0.000 1.048 91 L N 0.965 121.968 121.223 -0.367 0.000 2.283 91 L HA 0.252 4.592 4.340 -0.000 0.000 0.287 91 L C 0.404 177.130 176.870 -0.239 0.000 1.073 91 L CA 0.216 54.844 54.840 -0.354 0.000 0.822 91 L CB -0.673 41.235 42.059 -0.251 0.000 1.186 91 L HN 0.150 nan 8.230 nan 0.000 0.436 92 F N 1.828 121.751 119.950 -0.045 0.000 2.149 92 F HA 0.203 4.730 4.527 -0.000 0.000 0.294 92 F C 1.374 177.144 175.800 -0.050 0.000 1.095 92 F CA 0.624 58.612 58.000 -0.020 0.000 1.276 92 F CB -0.423 38.585 39.000 0.014 0.000 1.023 92 F HN 0.593 nan 8.300 nan 0.000 0.480 93 S N -1.235 114.538 115.700 0.121 0.000 2.558 93 S HA 0.756 5.226 4.470 -0.000 0.000 0.277 93 S C -1.534 173.027 174.600 -0.064 0.000 1.143 93 S CA -0.167 58.053 58.200 0.034 0.000 0.865 93 S CB 0.988 64.237 63.200 0.081 0.000 1.102 93 S HN 0.429 nan 8.310 nan 0.000 0.454 94 A N 3.059 125.789 122.820 -0.150 0.000 2.612 94 A HA 0.704 5.024 4.320 -0.000 0.000 0.293 94 A C -1.023 176.551 177.584 -0.017 0.000 1.075 94 A CA -0.961 50.917 52.037 -0.266 0.000 0.680 94 A CB 0.960 19.347 19.000 -1.021 0.000 1.279 94 A HN 0.851 nan 8.150 nan 0.000 0.411 95 N N 1.487 120.282 118.700 0.158 0.000 2.492 95 N HA 0.189 4.929 4.740 -0.000 0.000 0.262 95 N C -0.424 175.276 175.510 0.316 0.000 1.202 95 N CA -0.010 53.176 53.050 0.226 0.000 0.926 95 N CB 0.545 39.184 38.487 0.254 0.000 1.078 95 N HN 0.563 nan 8.380 nan 0.000 0.454 96 E N 1.311 121.617 120.200 0.177 0.000 2.376 96 E HA 0.017 4.366 4.350 -0.000 0.000 0.266 96 E C -0.339 176.332 176.600 0.119 0.000 1.009 96 E CA -0.013 56.475 56.400 0.147 0.000 0.902 96 E CB 0.917 30.656 29.700 0.066 0.000 0.972 96 E HN 0.233 nan 8.360 nan 0.000 0.439 97 V N 4.111 124.071 119.914 0.077 0.000 2.530 97 V HA -0.009 4.111 4.120 -0.000 0.000 0.282 97 V C 0.574 176.662 176.094 -0.011 0.000 1.048 97 V CA -0.471 61.819 62.300 -0.017 0.000 0.997 97 V CB 0.791 32.547 31.823 -0.111 0.000 0.987 97 V HN 0.529 nan 8.190 nan 0.000 0.477 98 D N 3.331 123.723 120.400 -0.014 0.000 2.493 98 D HA 0.154 4.794 4.640 -0.000 0.000 0.240 98 D C 0.256 176.547 176.300 -0.014 0.000 1.142 98 D CA 0.131 54.125 54.000 -0.010 0.000 0.872 98 D CB 1.639 42.432 40.800 -0.011 0.000 1.173 98 D HN 0.287 nan 8.370 nan 0.000 0.467 115 Y N 1.994 122.323 120.300 0.047 0.000 2.457 115 Y HA 0.102 4.652 4.550 -0.000 0.000 0.292 115 Y C 1.666 177.655 175.900 0.147 0.000 1.125 115 Y CA 0.713 58.878 58.100 0.107 0.000 1.254 115 Y CB -0.027 38.468 38.460 0.057 0.000 1.012 115 Y HN 0.535 nan 8.280 nan 0.000 0.555 116 L N 0.515 121.837 121.223 0.165 0.000 2.044 116 L HA -0.166 4.173 4.340 -0.000 0.000 0.205 116 L C 2.407 179.365 176.870 0.148 0.000 1.075 116 L CA 1.816 56.735 54.840 0.133 0.000 0.747 116 L CB -1.118 40.969 42.059 0.048 0.000 0.903 116 L HN 0.277 nan 8.230 nan 0.000 0.435 117 Q N -0.645 119.210 119.800 0.092 0.000 2.077 117 Q HA -0.270 4.070 4.340 -0.000 0.000 0.206 117 Q C 2.429 178.506 176.000 0.128 0.000 0.989 117 Q CA 2.148 58.001 55.803 0.084 0.000 0.853 117 Q CB -0.131 28.630 28.738 0.039 0.000 0.907 117 Q HN 0.439 nan 8.270 nan 0.000 0.418 118 R N -0.660 119.937 120.500 0.161 0.000 2.092 118 R HA -0.133 4.207 4.340 -0.000 0.000 0.231 118 R C 2.080 178.556 176.300 0.293 0.000 1.119 118 R CA 1.357 57.592 56.100 0.224 0.000 0.970 118 R CB -0.394 30.047 30.300 0.234 0.000 0.864 118 R HN 0.537 nan 8.270 nan 0.000 0.440 119 W N 0.622 121.982 121.300 0.101 0.000 2.355 119 W HA -0.189 4.470 4.660 -0.001 0.000 0.309 119 W C 1.568 177.900 176.519 -0.311 0.000 1.206 119 W CA 1.426 58.724 57.345 -0.079 0.000 1.284 119 W CB -0.108 29.326 29.460 -0.044 0.000 1.145 119 W HN -0.091 nan 8.180 nan 0.000 0.502 120 V N 0.934 120.890 119.914 0.070 0.000 2.427 120 V HA -0.210 3.910 4.120 -0.000 0.000 0.248 120 V C 2.659 178.819 176.094 0.109 0.000 1.051 120 V CA 1.905 64.247 62.300 0.069 0.000 1.048 120 V CB -1.621 30.289 31.823 0.145 0.000 0.666 120 V HN 0.341 nan 8.190 nan 0.000 0.456 121 G N 0.549 109.412 108.800 0.105 0.000 2.550 121 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.222 121 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.222 121 G C 1.321 176.326 174.900 0.177 0.000 1.113 121 G CA 1.714 46.899 45.100 0.142 0.000 0.748 121 G HN 0.732 nan 8.290 nan 0.000 0.585 122 F N -3.541 116.443 119.950 0.056 0.000 2.740 122 F HA 0.436 4.963 4.527 0.000 0.000 0.304 122 F C 1.881 177.664 175.800 -0.029 0.000 1.098 122 F CA -0.909 57.083 58.000 -0.014 0.000 1.258 122 F CB -0.380 38.556 39.000 -0.106 0.000 1.061 122 F HN 0.056 nan 8.300 nan 0.000 0.598 123 W N 1.128 121.955 121.300 -0.789 0.000 2.342 123 W HA -0.123 4.537 4.660 -0.000 0.000 0.297 123 W C 1.080 177.363 176.519 -0.393 0.000 1.213 123 W CA 2.130 59.010 57.345 -0.776 0.000 1.251 123 W CB -0.352 28.574 29.460 -0.891 0.000 1.136 123 W HN 0.050 nan 8.180 nan 0.000 0.526 124 F N -0.150 119.828 119.950 0.047 0.000 2.748 124 F HA -0.007 4.519 4.527 -0.000 0.000 0.299 124 F C 1.158 176.896 175.800 -0.104 0.000 1.154 124 F CA 0.869 58.848 58.000 -0.034 0.000 1.446 124 F CB -0.525 38.536 39.000 0.102 0.000 1.112 124 F HN -0.323 nan 8.300 nan 0.000 0.584 125 D N 0.872 121.313 120.400 0.068 0.000 2.365 125 D HA -0.015 4.625 4.640 -0.000 0.000 0.237 125 D C 1.258 177.532 176.300 -0.042 0.000 1.190 125 D CA 0.199 54.220 54.000 0.034 0.000 0.867 125 D CB 1.028 41.871 40.800 0.073 0.000 1.050 125 D HN 0.060 nan 8.370 nan 0.000 0.491 126 E N 3.132 123.292 120.200 -0.068 0.000 2.160 126 E HA -0.202 4.148 4.350 -0.000 0.000 0.195 126 E C 1.283 177.878 176.600 -0.008 0.000 0.991 126 E CA 1.437 57.788 56.400 -0.080 0.000 0.810 126 E CB 0.219 29.883 29.700 -0.060 0.000 0.742 126 E HN 0.609 nan 8.360 nan 0.000 0.466 127 E N -0.193 120.001 120.200 -0.010 0.000 2.072 127 E HA -0.143 4.207 4.350 -0.000 0.000 0.191 127 E C 1.962 178.543 176.600 -0.033 0.000 0.985 127 E CA 1.073 57.461 56.400 -0.020 0.000 0.801 127 E CB -0.032 29.655 29.700 -0.023 0.000 0.750 127 E HN 0.166 nan 8.360 nan 0.000 0.452 128 K N 0.470 120.863 120.400 -0.012 0.000 2.209 128 K HA -0.118 4.202 4.320 -0.000 0.000 0.204 128 K C 2.150 178.720 176.600 -0.049 0.000 1.048 128 K CA 0.670 56.932 56.287 -0.041 0.000 0.940 128 K CB -0.016 32.507 32.500 0.038 0.000 0.729 128 K HN -0.035 nan 8.250 nan 0.000 0.451 129 R N 0.618 121.149 120.500 0.051 0.000 2.073 129 R HA -0.086 4.254 4.340 -0.000 0.000 0.229 129 R C 2.200 178.537 176.300 0.062 0.000 1.120 129 R CA 0.868 57.022 56.100 0.089 0.000 0.967 129 R CB -0.177 30.085 30.300 -0.064 0.000 0.862 129 R HN 0.074 nan 8.270 nan 0.000 0.436 130 L N 0.608 121.824 121.223 -0.012 0.000 2.046 130 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 130 L C 2.075 178.847 176.870 -0.163 0.000 1.077 130 L CA 1.511 56.187 54.840 -0.273 0.000 0.747 130 L CB -0.467 41.416 42.059 -0.292 0.000 0.896 130 L HN -0.026 nan 8.230 nan 0.000 0.432 131 V N 0.012 119.851 119.914 -0.125 0.000 2.282 131 V HA -0.374 3.746 4.120 -0.000 0.000 0.249 131 V C 2.773 178.813 176.094 -0.089 0.000 1.057 131 V CA 1.835 64.066 62.300 -0.115 0.000 1.032 131 V CB -1.404 30.329 31.823 -0.149 0.000 0.645 131 V HN 0.631 nan 8.190 nan 0.000 0.447 132 A N -0.149 122.582 122.820 -0.148 0.000 1.858 132 A HA -0.138 4.182 4.320 -0.000 0.000 0.216 132 A C 2.462 180.122 177.584 0.126 0.000 1.190 132 A CA 2.268 54.271 52.037 -0.056 0.000 0.617 132 A CB -0.967 17.934 19.000 -0.165 0.000 0.827 132 A HN 0.601 nan 8.150 nan 0.000 0.443 133 A N -0.109 122.720 122.820 0.015 0.000 1.892 133 A HA -0.228 4.092 4.320 -0.000 0.000 0.218 133 A C 2.247 179.877 177.584 0.076 0.000 1.188 133 A CA 1.755 53.799 52.037 0.012 0.000 0.631 133 A CB -0.561 18.411 19.000 -0.047 0.000 0.822 133 A HN 0.578 nan 8.150 nan 0.000 0.447 134 R N -1.754 118.758 120.500 0.020 0.000 2.083 134 R HA -0.199 4.141 4.340 -0.000 0.000 0.237 134 R C 2.289 178.652 176.300 0.104 0.000 1.137 134 R CA 1.797 57.919 56.100 0.036 0.000 0.951 134 R CB -0.639 29.659 30.300 -0.003 0.000 0.851 134 R HN 0.833 nan 8.270 nan 0.000 0.434 135 H N 0.115 119.240 119.070 0.091 0.000 2.353 135 H HA -0.085 4.471 4.556 -0.000 0.000 0.300 135 H C 1.750 177.185 175.328 0.179 0.000 1.090 135 H CA 1.680 57.793 56.048 0.108 0.000 1.327 135 H CB -0.265 29.544 29.762 0.079 0.000 1.383 135 H HN 0.117 nan 8.280 nan 0.000 0.508 136 F N 0.548 120.507 119.950 0.014 0.000 2.091 136 F HA -0.315 4.212 4.527 -0.000 0.000 0.299 136 F C 2.632 178.411 175.800 -0.034 0.000 1.103 136 F CA 1.394 59.406 58.000 0.019 0.000 1.228 136 F CB -0.083 39.000 39.000 0.139 0.000 0.984 136 F HN 0.291 nan 8.300 nan 0.000 0.477 137 Q N 0.211 120.107 119.800 0.161 0.000 2.084 137 Q HA -0.168 4.172 4.340 -0.000 0.000 0.202 137 Q C 2.258 178.251 176.000 -0.010 0.000 0.978 137 Q CA 1.426 57.270 55.803 0.069 0.000 0.844 137 Q CB -0.586 28.183 28.738 0.053 0.000 0.898 137 Q HN 0.470 nan 8.270 nan 0.000 0.426 138 R N 0.305 120.767 120.500 -0.064 0.000 2.083 138 R HA -0.101 4.239 4.340 -0.000 0.000 0.237 138 R C 2.303 178.534 176.300 -0.116 0.000 1.137 138 R CA 1.298 57.340 56.100 -0.097 0.000 0.951 138 R CB -0.486 29.749 30.300 -0.110 0.000 0.851 138 R HN 0.239 nan 8.270 nan 0.000 0.434 139 A N 1.676 124.363 122.820 -0.221 0.000 1.865 139 A HA -0.240 4.079 4.320 -0.000 0.000 0.217 139 A C 2.182 179.802 177.584 0.061 0.000 1.191 139 A CA 1.730 53.719 52.037 -0.080 0.000 0.623 139 A CB -0.609 18.268 19.000 -0.205 0.000 0.826 139 A HN 0.356 nan 8.150 nan 0.000 0.444 140 R N -0.171 120.353 120.500 0.040 0.000 2.091 140 R HA -0.108 4.232 4.340 -0.000 0.000 0.238 140 R C 1.944 178.228 176.300 -0.028 0.000 1.136 140 R CA 1.828 57.952 56.100 0.040 0.000 0.959 140 R CB -0.570 29.771 30.300 0.068 0.000 0.856 140 R HN 0.475 nan 8.270 nan 0.000 0.437 141 L N 0.921 122.118 121.223 -0.044 0.000 2.042 141 L HA -0.179 4.161 4.340 -0.000 0.000 0.210 141 L C 2.941 179.767 176.870 -0.073 0.000 1.076 141 L CA 1.647 56.440 54.840 -0.078 0.000 0.749 141 L CB -0.602 41.417 42.059 -0.067 0.000 0.893 141 L HN 0.437 nan 8.230 nan 0.000 0.432 142 E N 0.315 120.491 120.200 -0.041 0.000 2.072 142 E HA -0.205 4.145 4.350 -0.000 0.000 0.191 142 E C 2.279 178.858 176.600 -0.036 0.000 0.985 142 E CA 0.963 57.348 56.400 -0.026 0.000 0.801 142 E CB 0.149 29.848 29.700 -0.001 0.000 0.750 142 E HN 0.327 nan 8.360 nan 0.000 0.452 143 R N 0.333 120.783 120.500 -0.083 0.000 2.092 143 R HA -0.050 4.290 4.340 -0.000 0.000 0.231 143 R C 2.560 178.845 176.300 -0.025 0.000 1.119 143 R CA 0.708 56.733 56.100 -0.124 0.000 0.970 143 R CB -0.779 29.362 30.300 -0.266 0.000 0.864 143 R HN 0.327 nan 8.270 nan 0.000 0.440 144 I N 0.546 121.060 120.570 -0.093 0.000 2.127 144 I HA -0.307 3.863 4.170 -0.000 0.000 0.241 144 I C 2.871 178.903 176.117 -0.142 0.000 1.075 144 I CA 1.449 62.610 61.300 -0.232 0.000 1.334 144 I CB -0.386 37.334 38.000 -0.467 0.000 1.040 144 I HN 0.124 nan 8.210 nan 0.000 0.405 145 R N 0.217 120.660 120.500 -0.094 0.000 2.096 145 R HA -0.298 4.042 4.340 -0.000 0.000 0.240 145 R C 2.507 178.846 176.300 0.066 0.000 1.139 145 R CA 2.338 58.428 56.100 -0.017 0.000 0.952 145 R CB -0.497 29.797 30.300 -0.009 0.000 0.854 145 R HN 0.427 nan 8.270 nan 0.000 0.436 146 H N 0.078 119.140 119.070 -0.013 0.000 2.270 146 H HA -0.088 4.468 4.556 -0.000 0.000 0.299 146 H C 2.249 177.608 175.328 0.053 0.000 1.077 146 H CA 2.695 58.743 56.048 0.000 0.000 1.294 146 H CB -0.237 29.494 29.762 -0.051 0.000 1.371 146 H HN 0.367 nan 8.280 nan 0.000 0.491 147 S N -1.093 114.626 115.700 0.032 0.000 2.414 147 S HA -0.114 4.356 4.470 -0.000 0.000 0.227 147 S C 1.879 176.568 174.600 0.148 0.000 1.022 147 S CA 0.769 58.979 58.200 0.017 0.000 0.958 147 S CB -0.557 62.714 63.200 0.118 0.000 0.797 147 S HN 0.533 nan 8.310 nan 0.000 0.493 148 W N 1.465 122.750 121.300 -0.025 0.000 2.476 148 W HA 0.408 5.067 4.660 -0.000 0.000 0.281 148 W C 1.992 178.527 176.519 0.027 0.000 1.230 148 W CA -0.085 57.307 57.345 0.078 0.000 1.287 148 W CB -0.412 29.122 29.460 0.123 0.000 1.108 148 W HN 0.288 nan 8.180 nan 0.000 0.567 149 L N -1.355 119.976 121.223 0.179 0.000 2.924 149 L HA 0.107 4.446 4.340 -0.000 0.000 0.172 149 L C 2.245 179.110 176.870 -0.008 0.000 1.292 149 L CA 0.167 55.052 54.840 0.076 0.000 0.870 149 L CB -0.985 41.112 42.059 0.063 0.000 1.305 149 L HN -0.244 nan 8.230 nan 0.000 0.535 150 E N 0.406 120.577 120.200 -0.048 0.000 2.086 150 E HA -0.230 4.119 4.350 -0.000 0.000 0.200 150 E C 0.537 177.045 176.600 -0.153 0.000 1.012 150 E CA 1.184 57.533 56.400 -0.084 0.000 0.812 150 E CB -0.248 29.425 29.700 -0.046 0.000 0.743 150 E HN 0.395 nan 8.360 nan 0.000 0.453 151 D N -0.522 119.695 120.400 -0.305 0.000 2.210 151 D HA 0.079 4.719 4.640 -0.000 0.000 0.249 151 D C 0.446 176.669 176.300 -0.129 0.000 1.078 151 D CA -0.212 53.635 54.000 -0.254 0.000 0.875 151 D CB 1.397 41.952 40.800 -0.408 0.000 1.175 151 D HN -0.185 nan 8.370 nan 0.000 0.440 152 R N 2.060 122.512 120.500 -0.079 0.000 2.210 152 R HA 0.016 4.356 4.340 -0.000 0.000 0.203 152 R C 2.078 178.355 176.300 -0.040 0.000 1.010 152 R CA 0.835 56.908 56.100 -0.046 0.000 1.008 152 R CB -0.357 29.923 30.300 -0.034 0.000 0.923 152 R HN 0.525 nan 8.270 nan 0.000 0.469 153 V N -0.609 119.273 119.914 -0.053 0.000 2.250 153 V HA -0.327 3.793 4.120 -0.000 0.000 0.250 153 V C 1.896 177.958 176.094 -0.052 0.000 1.060 153 V CA 1.932 64.201 62.300 -0.051 0.000 1.030 153 V CB -0.941 30.846 31.823 -0.060 0.000 0.643 153 V HN 0.203 nan 8.190 nan 0.000 0.445 154 L N 0.010 121.192 121.223 -0.069 0.000 1.989 154 L HA -0.214 4.126 4.340 -0.000 0.000 0.211 154 L C 3.033 179.924 176.870 0.036 0.000 1.071 154 L CA 2.640 57.434 54.840 -0.076 0.000 0.749 154 L CB -0.808 41.140 42.059 -0.186 0.000 0.890 154 L HN 0.371 nan 8.230 nan 0.000 0.431 155 R N 0.325 120.855 120.500 0.049 0.000 2.091 155 R HA -0.203 4.137 4.340 -0.000 0.000 0.238 155 R C 1.922 178.232 176.300 0.016 0.000 1.136 155 R CA 1.990 58.115 56.100 0.042 0.000 0.959 155 R CB -0.248 30.060 30.300 0.013 0.000 0.856 155 R HN 0.322 nan 8.270 nan 0.000 0.437 156 D N 0.149 120.548 120.400 -0.001 0.000 2.144 156 D HA -0.119 4.521 4.640 -0.000 0.000 0.199 156 D C 1.276 177.574 176.300 -0.004 0.000 0.984 156 D CA 1.590 55.585 54.000 -0.008 0.000 0.834 156 D CB -0.121 40.669 40.800 -0.017 0.000 0.955 156 D HN 0.452 nan 8.370 nan 0.000 0.465 157 A N -0.471 122.346 122.820 -0.004 0.000 2.276 157 A HA 0.429 4.749 4.320 -0.000 0.000 0.212 157 A C 1.510 179.106 177.584 0.020 0.000 1.230 157 A CA 0.906 52.940 52.037 -0.005 0.000 0.844 157 A CB -0.177 18.805 19.000 -0.030 0.000 0.860 157 A HN 0.244 nan 8.150 nan 0.000 0.486 158 G N -1.962 106.858 108.800 0.034 0.000 2.138 158 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.193 158 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.193 158 G C -0.058 174.889 174.900 0.078 0.000 0.998 158 G CA 0.005 45.129 45.100 0.041 0.000 0.668 158 G HN 0.643 nan 8.290 nan 0.000 0.516 159 F N 2.416 122.306 119.950 -0.101 0.000 2.541 159 F HA 0.633 5.160 4.527 -0.000 0.000 0.351 159 F C 0.960 176.680 175.800 -0.134 0.000 1.209 159 F CA -0.964 56.944 58.000 -0.152 0.000 1.277 159 F CB 0.083 38.941 39.000 -0.238 0.000 1.632 159 F HN 0.363 nan 8.300 nan 0.000 0.619 160 A N 5.689 128.322 122.820 -0.313 0.000 3.037 160 A HA 0.482 4.801 4.320 -0.000 0.000 0.272 160 A C -0.252 177.106 177.584 -0.376 0.000 1.723 160 A CA -0.424 51.455 52.037 -0.264 0.000 1.413 160 A CB -1.343 17.571 19.000 -0.144 0.000 1.112 160 A HN 0.397 nan 8.150 nan 0.000 0.606 161 V N 0.023 119.634 119.914 -0.504 0.000 2.686 161 V HA 0.152 4.272 4.120 -0.000 0.000 0.295 161 V C 0.617 176.615 176.094 -0.161 0.000 1.055 161 V CA -1.033 61.027 62.300 -0.400 0.000 1.050 161 V CB 0.774 32.410 31.823 -0.311 0.000 0.984 161 V HN 0.615 nan 8.190 nan 0.000 0.482 162 D N 3.061 123.397 120.400 -0.107 0.000 2.389 162 D HA 0.108 4.748 4.640 -0.000 0.000 0.278 162 D C 1.266 177.558 176.300 -0.013 0.000 1.398 162 D CA 0.819 54.789 54.000 -0.050 0.000 1.090 162 D CB 0.907 41.685 40.800 -0.037 0.000 1.108 162 D HN 0.790 nan 8.370 nan 0.000 0.532 163 A N 3.343 126.156 122.820 -0.011 0.000 1.903 163 A HA -0.252 4.068 4.320 -0.000 0.000 0.219 163 A C 2.222 179.810 177.584 0.008 0.000 1.191 163 A CA 2.087 54.132 52.037 0.013 0.000 0.638 163 A CB -0.550 18.454 19.000 0.006 0.000 0.823 163 A HN 0.572 nan 8.150 nan 0.000 0.451 164 T N 0.159 114.711 114.554 -0.004 0.000 2.708 164 T HA -0.016 4.334 4.350 -0.000 0.000 0.266 164 T C 2.222 176.917 174.700 -0.008 0.000 1.037 164 T CA 1.760 63.856 62.100 -0.006 0.000 1.146 164 T CB -0.513 68.350 68.868 -0.009 0.000 0.865 164 T HN 0.641 nan 8.240 nan 0.000 0.435 165 A N 0.967 123.782 122.820 -0.008 0.000 1.969 165 A HA 0.039 4.359 4.320 -0.000 0.000 0.218 165 A C 2.240 179.815 177.584 -0.016 0.000 1.169 165 A CA 1.108 53.139 52.037 -0.011 0.000 0.635 165 A CB -0.743 18.252 19.000 -0.008 0.000 0.810 165 A HN 0.411 nan 8.150 nan 0.000 0.445 166 L N -0.158 121.065 121.223 -0.001 0.000 1.994 166 L HA -0.088 4.252 4.340 -0.000 0.000 0.208 166 L C 2.691 179.526 176.870 -0.058 0.000 1.071 166 L CA 2.321 57.149 54.840 -0.020 0.000 0.745 166 L CB -0.668 41.426 42.059 0.057 0.000 0.892 166 L HN 0.314 nan 8.230 nan 0.000 0.431 167 A N -1.190 121.611 122.820 -0.031 0.000 1.972 167 A HA -0.144 4.176 4.320 -0.000 0.000 0.219 167 A C 2.244 179.803 177.584 -0.040 0.000 1.169 167 A CA 1.897 53.912 52.037 -0.036 0.000 0.635 167 A CB -1.108 17.881 19.000 -0.018 0.000 0.810 167 A HN 0.352 nan 8.150 nan 0.000 0.446 168 V N -0.183 119.711 119.914 -0.034 0.000 2.295 168 V HA -0.262 3.858 4.120 -0.000 0.000 0.246 168 V C 3.064 179.132 176.094 -0.044 0.000 1.049 168 V CA 1.944 64.225 62.300 -0.032 0.000 1.024 168 V CB -1.290 30.519 31.823 -0.024 0.000 0.648 168 V HN 0.624 nan 8.190 nan 0.000 0.447 169 A N -0.214 122.570 122.820 -0.059 0.000 1.883 169 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 169 A C 2.416 179.943 177.584 -0.095 0.000 1.186 169 A CA 2.287 54.276 52.037 -0.079 0.000 0.624 169 A CB -0.798 18.139 19.000 -0.105 0.000 0.822 169 A HN 0.323 nan 8.150 nan 0.000 0.444 170 V N 0.196 120.044 119.914 -0.111 0.000 2.261 170 V HA -0.289 3.831 4.120 -0.000 0.000 0.246 170 V C 2.471 178.522 176.094 -0.072 0.000 1.047 170 V CA 2.411 64.644 62.300 -0.111 0.000 1.015 170 V CB -0.914 30.836 31.823 -0.121 0.000 0.642 170 V HN 0.669 nan 8.190 nan 0.000 0.446 171 E N -0.183 119.984 120.200 -0.055 0.000 2.051 171 E HA -0.239 4.111 4.350 -0.000 0.000 0.192 171 E C 1.987 178.567 176.600 -0.034 0.000 0.991 171 E CA 1.501 57.878 56.400 -0.038 0.000 0.799 171 E CB -0.271 29.412 29.700 -0.029 0.000 0.748 171 E HN 0.583 nan 8.360 nan 0.000 0.449 172 D N 0.437 120.816 120.400 -0.035 0.000 2.092 172 D HA -0.119 4.521 4.640 -0.000 0.000 0.193 172 D C 2.143 178.426 176.300 -0.030 0.000 0.994 172 D CA 1.178 55.161 54.000 -0.028 0.000 0.828 172 D CB -0.334 40.449 40.800 -0.028 0.000 0.963 172 D HN -0.041 nan 8.370 nan 0.000 0.450 173 S N 0.266 115.941 115.700 -0.042 0.000 2.356 173 S HA -0.128 4.341 4.470 -0.000 0.000 0.223 173 S C 2.103 176.683 174.600 -0.034 0.000 1.032 173 S CA 1.087 59.263 58.200 -0.041 0.000 1.005 173 S CB -0.383 62.780 63.200 -0.061 0.000 0.867 173 S HN 0.376 nan 8.310 nan 0.000 0.449 174 A N 2.034 124.831 122.820 -0.039 0.000 1.884 174 A HA -0.238 4.082 4.320 -0.000 0.000 0.219 174 A C 2.158 179.729 177.584 -0.022 0.000 1.197 174 A CA 1.883 53.902 52.037 -0.031 0.000 0.637 174 A CB -0.647 18.334 19.000 -0.033 0.000 0.827 174 A HN 0.412 nan 8.150 nan 0.000 0.450 175 R N -1.049 119.439 120.500 -0.020 0.000 2.073 175 R HA -0.098 4.242 4.340 -0.000 0.000 0.234 175 R C 2.566 178.860 176.300 -0.011 0.000 1.134 175 R CA 1.311 57.402 56.100 -0.014 0.000 0.952 175 R CB -0.470 29.822 30.300 -0.013 0.000 0.850 175 R HN 0.543 nan 8.270 nan 0.000 0.433 176 A N 1.046 123.860 122.820 -0.010 0.000 1.908 176 A HA -0.160 4.159 4.320 -0.000 0.000 0.218 176 A C 2.172 179.758 177.584 0.002 0.000 1.181 176 A CA 1.220 53.257 52.037 -0.001 0.000 0.627 176 A CB -0.592 18.407 19.000 -0.001 0.000 0.818 176 A HN 0.211 nan 8.150 nan 0.000 0.445 177 L N -0.459 120.761 121.223 -0.005 0.000 1.989 177 L HA -0.226 4.114 4.340 -0.000 0.000 0.211 177 L C 2.659 179.523 176.870 -0.010 0.000 1.071 177 L CA 1.574 56.412 54.840 -0.005 0.000 0.749 177 L CB -0.635 41.418 42.059 -0.009 0.000 0.890 177 L HN 0.353 nan 8.230 nan 0.000 0.431 178 E N 0.008 120.200 120.200 -0.013 0.000 2.160 178 E HA -0.268 4.082 4.350 -0.000 0.000 0.195 178 E C 2.160 178.748 176.600 -0.021 0.000 0.991 178 E CA 1.359 57.748 56.400 -0.017 0.000 0.810 178 E CB -0.200 29.491 29.700 -0.015 0.000 0.742 178 E HN 0.626 nan 8.360 nan 0.000 0.466 179 Q N -0.003 119.788 119.800 -0.015 0.000 2.331 179 Q HA 0.163 4.503 4.340 -0.000 0.000 0.203 179 Q C 0.594 176.579 176.000 -0.024 0.000 0.944 179 Q CA 0.258 56.050 55.803 -0.018 0.000 0.892 179 Q CB 0.247 28.980 28.738 -0.009 0.000 0.983 179 Q HN 0.099 nan 8.270 nan 0.000 0.482 180 A N 1.936 124.753 122.820 -0.006 0.000 2.565 180 A HA 0.040 4.359 4.320 -0.000 0.000 0.237 180 A C -1.757 175.781 177.584 -0.077 0.000 1.053 180 A CA -0.785 51.254 52.037 0.003 0.000 0.755 180 A CB 0.045 19.083 19.000 0.063 0.000 0.980 180 A HN 0.077 nan 8.150 nan 0.000 0.506 181 P HA 0.088 nan 4.420 nan 0.000 0.245 181 P C -0.470 176.748 177.300 -0.136 0.000 1.203 181 P CA 0.753 63.748 63.100 -0.175 0.000 0.792 181 P CB 0.234 31.791 31.700 -0.240 0.000 0.997 182 N N -3.555 115.082 118.700 -0.105 0.000 3.277 182 N HA 0.109 4.849 4.740 -0.000 0.000 0.278 182 N C 0.349 175.865 175.510 0.010 0.000 1.544 182 N CA -0.765 52.260 53.050 -0.041 0.000 0.869 182 N CB -0.071 38.422 38.487 0.009 0.000 1.584 182 N HN -0.305 nan 8.380 nan 0.000 0.564 183 H N -0.562 118.520 119.070 0.019 0.000 2.353 183 H HA -0.008 4.548 4.556 -0.000 0.000 0.300 183 H C 0.866 176.219 175.328 0.041 0.000 1.090 183 H CA 2.359 58.416 56.048 0.014 0.000 1.327 183 H CB 0.249 30.003 29.762 -0.014 0.000 1.383 183 H HN 0.657 nan 8.280 nan 0.000 0.508 184 E N -0.342 119.986 120.200 0.213 0.000 2.058 184 E HA -0.240 4.110 4.350 -0.000 0.000 0.194 184 E C 1.866 178.524 176.600 0.096 0.000 0.997 184 E CA 1.514 57.996 56.400 0.137 0.000 0.801 184 E CB -0.245 29.536 29.700 0.136 0.000 0.746 184 E HN 0.656 nan 8.360 nan 0.000 0.450 185 H N 0.449 119.529 119.070 0.017 0.000 2.357 185 H HA -0.069 4.487 4.556 -0.000 0.000 0.301 185 H C 1.988 177.313 175.328 -0.005 0.000 1.082 185 H CA 1.041 57.091 56.048 0.003 0.000 1.342 185 H CB -0.303 29.455 29.762 -0.006 0.000 1.389 185 H HN 0.030 nan 8.280 nan 0.000 0.511 186 L N 0.244 121.530 121.223 0.106 0.000 1.990 186 L HA -0.194 4.146 4.340 -0.000 0.000 0.213 186 L C 2.114 179.002 176.870 0.031 0.000 1.072 186 L CA 1.490 56.351 54.840 0.035 0.000 0.755 186 L CB -0.756 41.288 42.059 -0.025 0.000 0.889 186 L HN 0.266 nan 8.230 nan 0.000 0.432 187 L N -1.520 119.727 121.223 0.040 0.000 1.989 187 L HA -0.290 4.050 4.340 -0.000 0.000 0.211 187 L C 2.376 179.248 176.870 0.004 0.000 1.071 187 L CA 2.023 56.874 54.840 0.018 0.000 0.749 187 L CB -0.862 41.207 42.059 0.017 0.000 0.890 187 L HN 0.334 nan 8.230 nan 0.000 0.431 188 T N -0.904 113.644 114.554 -0.011 0.000 2.597 188 T HA -0.234 4.116 4.350 -0.000 0.000 0.267 188 T C 1.765 176.459 174.700 -0.009 0.000 1.053 188 T CA 1.603 63.686 62.100 -0.027 0.000 1.165 188 T CB -0.237 68.579 68.868 -0.087 0.000 0.863 188 T HN 0.287 nan 8.240 nan 0.000 0.427 189 E N 0.757 120.958 120.200 0.000 0.000 2.118 189 E HA -0.130 4.220 4.350 -0.000 0.000 0.195 189 E C 2.276 178.874 176.600 -0.002 0.000 0.992 189 E CA 0.731 57.132 56.400 0.002 0.000 0.804 189 E CB -0.410 29.296 29.700 0.011 0.000 0.741 189 E HN 0.530 nan 8.360 nan 0.000 0.458 190 E N 0.780 120.983 120.200 0.004 0.000 2.110 190 E HA -0.161 4.188 4.350 -0.000 0.000 0.193 190 E C 1.851 178.454 176.600 0.005 0.000 0.988 190 E CA 1.158 57.561 56.400 0.006 0.000 0.804 190 E CB 0.047 29.759 29.700 0.019 0.000 0.745 190 E HN 0.138 nan 8.360 nan 0.000 0.458 191 A N 1.535 124.364 122.820 0.015 0.000 1.855 191 A HA -0.141 4.179 4.320 -0.000 0.000 0.215 191 A C 2.281 179.879 177.584 0.023 0.000 1.191 191 A CA 1.413 53.471 52.037 0.034 0.000 0.613 191 A CB -0.528 18.500 19.000 0.045 0.000 0.829 191 A HN 0.206 nan 8.150 nan 0.000 0.442 192 R N -0.987 119.520 120.500 0.012 0.000 2.119 192 R HA -0.202 4.138 4.340 -0.000 0.000 0.246 192 R C 2.097 178.382 176.300 -0.025 0.000 1.146 192 R CA 1.642 57.745 56.100 0.006 0.000 0.962 192 R CB -0.672 29.628 30.300 0.001 0.000 0.863 192 R HN 0.528 nan 8.270 nan 0.000 0.442 193 L N 0.453 121.646 121.223 -0.049 0.000 2.056 193 L HA -0.093 4.246 4.340 -0.000 0.000 0.207 193 L C 2.022 178.796 176.870 -0.161 0.000 1.078 193 L CA 1.821 56.604 54.840 -0.096 0.000 0.749 193 L CB -0.481 41.520 42.059 -0.098 0.000 0.901 193 L HN -0.047 nan 8.230 nan 0.000 0.433 194 S N -0.338 115.260 115.700 -0.169 0.000 2.368 194 S HA -0.238 4.231 4.470 -0.000 0.000 0.225 194 S C 1.952 176.224 174.600 -0.546 0.000 1.030 194 S CA 1.596 59.569 58.200 -0.377 0.000 0.999 194 S CB -0.313 62.743 63.200 -0.239 0.000 0.844 194 S HN 0.514 nan 8.310 nan 0.000 0.459 195 K N 1.331 121.661 120.400 -0.115 0.000 2.074 195 K HA -0.168 4.152 4.320 -0.000 0.000 0.209 195 K C 2.249 178.888 176.600 0.066 0.000 1.048 195 K CA 1.540 57.909 56.287 0.135 0.000 0.926 195 K CB -0.142 32.462 32.500 0.172 0.000 0.713 195 K HN 0.202 nan 8.250 nan 0.000 0.444 196 R N 0.499 120.980 120.500 -0.031 0.000 2.092 196 R HA -0.054 4.286 4.340 -0.000 0.000 0.231 196 R C 2.158 178.431 176.300 -0.045 0.000 1.119 196 R CA 1.315 57.401 56.100 -0.023 0.000 0.970 196 R CB -0.202 30.066 30.300 -0.052 0.000 0.864 196 R HN 0.241 nan 8.270 nan 0.000 0.440 197 L N -0.067 121.064 121.223 -0.153 0.000 2.093 197 L HA -0.116 4.224 4.340 -0.000 0.000 0.208 197 L C 2.091 178.994 176.870 0.056 0.000 1.085 197 L CA 0.897 55.675 54.840 -0.104 0.000 0.755 197 L CB -0.493 41.401 42.059 -0.276 0.000 0.904 197 L HN 0.153 nan 8.230 nan 0.000 0.435 198 F N 0.678 120.697 119.950 0.115 0.000 2.069 198 F HA -0.231 4.296 4.527 -0.000 0.000 0.298 198 F C 2.668 178.376 175.800 -0.154 0.000 1.113 198 F CA 1.331 59.335 58.000 0.005 0.000 1.214 198 F CB -0.836 38.320 39.000 0.260 0.000 0.978 198 F HN -0.023 nan 8.300 nan 0.000 0.474 199 K N 0.625 121.146 120.400 0.201 0.000 2.009 199 K HA -0.193 4.126 4.320 -0.000 0.000 0.210 199 K C 2.149 178.747 176.600 -0.003 0.000 1.049 199 K CA 1.545 57.896 56.287 0.106 0.000 0.929 199 K CB -0.516 32.060 32.500 0.126 0.000 0.714 199 K HN 0.240 nan 8.250 nan 0.000 0.440 200 L N 0.351 121.590 121.223 0.026 0.000 2.042 200 L HA -0.198 4.142 4.340 -0.000 0.000 0.210 200 L C 2.615 179.438 176.870 -0.078 0.000 1.076 200 L CA 1.296 56.149 54.840 0.022 0.000 0.749 200 L CB -0.505 41.638 42.059 0.140 0.000 0.893 200 L HN 0.313 nan 8.230 nan 0.000 0.432 201 A N -0.106 122.652 122.820 -0.103 0.000 1.902 201 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 201 A C 2.544 179.720 177.584 -0.679 0.000 1.181 201 A CA 1.681 53.512 52.037 -0.343 0.000 0.623 201 A CB -0.717 18.064 19.000 -0.365 0.000 0.818 201 A HN 0.401 nan 8.150 nan 0.000 0.443 202 A N -0.585 121.684 122.820 -0.920 0.000 1.865 202 A HA -0.263 4.057 4.320 -0.000 0.000 0.217 202 A C 2.139 179.647 177.584 -0.127 0.000 1.191 202 A CA 1.877 53.598 52.037 -0.527 0.000 0.623 202 A CB -0.741 18.152 19.000 -0.179 0.000 0.826 202 A HN 0.636 nan 8.150 nan 0.000 0.444 203 Q N -0.757 118.977 119.800 -0.111 0.000 2.061 203 Q HA -0.128 4.212 4.340 -0.000 0.000 0.204 203 Q C 2.387 178.324 176.000 -0.105 0.000 0.984 203 Q CA 1.522 57.290 55.803 -0.059 0.000 0.846 203 Q CB -0.462 28.246 28.738 -0.050 0.000 0.902 203 Q HN 0.692 nan 8.270 nan 0.000 0.421 204 A N 0.647 123.338 122.820 -0.214 0.000 2.032 204 A HA -0.198 4.122 4.320 -0.000 0.000 0.221 204 A C 2.030 179.504 177.584 -0.182 0.000 1.165 204 A CA 1.989 53.833 52.037 -0.323 0.000 0.645 204 A CB -0.583 17.959 19.000 -0.762 0.000 0.807 204 A HN 0.530 nan 8.150 nan 0.000 0.453 205 T N -5.635 108.883 114.554 -0.060 0.000 3.091 205 T HA 0.383 4.733 4.350 -0.000 0.000 0.277 205 T C 0.445 175.222 174.700 0.128 0.000 0.996 205 T CA 0.136 62.282 62.100 0.077 0.000 0.897 205 T CB -0.048 68.947 68.868 0.211 0.000 1.109 205 T HN 0.460 nan 8.240 nan 0.000 0.534 206 R N -0.168 120.385 120.500 0.088 0.000 3.336 206 R HA -0.211 4.129 4.340 -0.000 0.000 0.260 206 R C 0.014 176.410 176.300 0.161 0.000 1.032 206 R CA 0.512 56.668 56.100 0.093 0.000 0.693 206 R CB -2.418 27.917 30.300 0.058 0.000 1.134 206 R HN 0.562 nan 8.270 nan 0.000 0.433 207 Y N -0.086 120.276 120.300 0.103 0.000 2.365 207 Y HA 0.099 4.649 4.550 -0.000 0.000 0.293 207 Y C 1.689 177.683 175.900 0.157 0.000 1.119 207 Y CA 1.914 60.124 58.100 0.183 0.000 1.203 207 Y CB 0.579 39.239 38.460 0.334 0.000 1.026 207 Y HN 0.554 nan 8.280 nan 0.000 0.549 208 G N 0.824 109.748 108.800 0.206 0.000 2.660 208 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.215 208 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.215 208 G C -0.674 174.386 174.900 0.268 0.000 1.345 208 G CA -0.356 44.826 45.100 0.137 0.000 0.877 208 G HN 0.286 nan 8.290 nan 0.000 0.549 209 E N -0.616 119.699 120.200 0.191 0.000 2.765 209 E HA 0.289 4.638 4.350 -0.000 0.000 0.256 209 E C -0.389 176.455 176.600 0.407 0.000 0.935 209 E CA 0.841 57.375 56.400 0.223 0.000 0.954 209 E CB 0.233 30.003 29.700 0.118 0.000 0.908 209 E HN 0.578 nan 8.360 nan 0.000 0.500 210 F N 3.663 123.764 119.950 0.252 0.000 2.547 210 F HA 0.447 4.973 4.527 -0.000 0.000 0.316 210 F C -1.311 174.578 175.800 0.148 0.000 1.121 210 F CA -0.811 57.353 58.000 0.273 0.000 0.911 210 F CB 1.232 40.439 39.000 0.345 0.000 1.179 210 F HN 0.109 nan 8.300 nan 0.000 0.443 211 V N 5.554 125.033 119.914 -0.725 0.000 2.531 211 V HA 0.434 4.554 4.120 -0.000 0.000 0.301 211 V C -0.422 175.100 176.094 -0.954 0.000 1.034 211 V CA -0.962 61.008 62.300 -0.550 0.000 0.865 211 V CB 1.513 33.179 31.823 -0.261 0.000 0.995 211 V HN 0.675 nan 8.190 nan 0.000 0.424 212 R N 3.748 123.880 120.500 -0.613 0.000 2.458 212 R HA 0.454 4.794 4.340 -0.000 0.000 0.303 212 R C 0.069 176.197 176.300 -0.288 0.000 1.013 212 R CA 0.510 56.322 56.100 -0.480 0.000 1.026 212 R CB 0.294 30.447 30.300 -0.246 0.000 0.948 212 R HN 0.913 nan 8.270 nan 0.000 0.417 213 A N 5.731 128.394 122.820 -0.263 0.000 2.290 213 A HA 0.385 4.705 4.320 -0.000 0.000 0.310 213 A C -0.458 177.076 177.584 -0.085 0.000 1.202 213 A CA -0.849 51.094 52.037 -0.156 0.000 0.837 213 A CB 0.487 19.394 19.000 -0.155 0.000 1.139 213 A HN 0.681 nan 8.150 nan 0.000 0.509 214 K N 1.981 122.351 120.400 -0.049 0.000 2.440 214 K HA 0.036 4.356 4.320 -0.000 0.000 0.270 214 K C 0.244 176.835 176.600 -0.015 0.000 0.980 214 K CA -0.124 56.154 56.287 -0.015 0.000 0.953 214 K CB 0.473 32.969 32.500 -0.006 0.000 0.925 214 K HN 0.737 nan 8.250 nan 0.000 0.497 215 R N 0.080 120.582 120.500 0.004 0.000 2.494 215 R HA -0.078 4.262 4.340 -0.000 0.000 0.291 215 R C 1.091 177.388 176.300 -0.005 0.000 0.953 215 R CA 1.714 57.820 56.100 0.009 0.000 1.098 215 R CB -0.315 30.002 30.300 0.029 0.000 0.911 215 R HN 0.951 nan 8.270 nan 0.000 0.407 216 G N 1.433 110.223 108.800 -0.017 0.000 2.253 216 G HA2 -0.369 3.590 3.960 -0.000 0.000 0.251 216 G HA3 -0.369 3.590 3.960 -0.000 0.000 0.251 216 G C 0.700 175.573 174.900 -0.045 0.000 0.998 216 G CA 0.643 45.725 45.100 -0.031 0.000 0.621 216 G HN 0.690 nan 8.290 nan 0.000 0.524 217 S N 0.326 115.999 115.700 -0.046 0.000 2.524 217 S HA 0.513 4.983 4.470 -0.000 0.000 0.216 217 S C 1.328 175.887 174.600 -0.068 0.000 0.987 217 S CA 1.126 59.296 58.200 -0.051 0.000 0.909 217 S CB 0.273 63.448 63.200 -0.042 0.000 0.781 217 S HN 1.655 nan 8.310 nan 0.000 0.521 218 G N -0.406 108.344 108.800 -0.083 0.000 2.356 218 G HA2 0.521 4.481 3.960 -0.000 0.000 0.298 218 G HA3 0.521 4.481 3.960 -0.000 0.000 0.298 218 G C 0.637 175.476 174.900 -0.102 0.000 1.145 218 G CA -0.299 44.740 45.100 -0.101 0.000 0.850 218 G HN 0.349 nan 8.290 nan 0.000 0.487 219 G N 1.101 109.845 108.800 -0.095 0.000 2.833 219 G HA2 0.080 4.040 3.960 -0.000 0.000 0.210 219 G HA3 0.080 4.040 3.960 -0.000 0.000 0.210 219 G C 0.518 175.353 174.900 -0.108 0.000 1.139 219 G CA 0.093 45.133 45.100 -0.099 0.000 0.771 219 G HN 0.757 nan 8.290 nan 0.000 0.535 220 D N 0.925 121.278 120.400 -0.078 0.000 2.399 220 D HA 0.095 4.735 4.640 -0.000 0.000 0.241 220 D C -1.748 174.493 176.300 -0.099 0.000 1.133 220 D CA -1.272 52.708 54.000 -0.033 0.000 0.890 220 D CB 1.760 42.608 40.800 0.080 0.000 1.201 220 D HN -0.075 nan 8.370 nan 0.000 0.432 221 P HA -0.233 nan 4.420 nan 0.000 0.217 221 P C 1.330 178.371 177.300 -0.431 0.000 1.158 221 P CA 2.595 65.465 63.100 -0.385 0.000 0.887 221 P CB -0.010 31.642 31.700 -0.081 0.000 0.792 222 A N -0.582 122.122 122.820 -0.193 0.000 1.858 222 A HA -0.227 4.092 4.320 -0.000 0.000 0.216 222 A C 2.266 179.642 177.584 -0.346 0.000 1.190 222 A CA 1.868 53.577 52.037 -0.547 0.000 0.617 222 A CB -1.558 16.610 19.000 -1.386 0.000 0.827 222 A HN 0.121 nan 8.150 nan 0.000 0.443 223 N N -0.364 118.281 118.700 -0.090 0.000 2.205 223 N HA -0.132 4.607 4.740 -0.000 0.000 0.186 223 N C 1.891 177.306 175.510 -0.157 0.000 1.015 223 N CA 1.185 54.191 53.050 -0.073 0.000 0.862 223 N CB -0.326 38.105 38.487 -0.093 0.000 0.986 223 N HN 0.520 nan 8.380 nan 0.000 0.429 224 R N -0.491 119.847 120.500 -0.270 0.000 2.062 224 R HA -0.009 4.331 4.340 -0.000 0.000 0.229 224 R C 1.943 178.073 176.300 -0.283 0.000 1.128 224 R CA 0.965 56.871 56.100 -0.323 0.000 0.960 224 R CB -0.299 29.686 30.300 -0.524 0.000 0.855 224 R HN 0.138 nan 8.270 nan 0.000 0.432 225 F N 1.082 120.783 119.950 -0.416 0.000 2.186 225 F HA -0.082 4.444 4.527 -0.000 0.000 0.299 225 F C 2.163 177.640 175.800 -0.538 0.000 1.090 225 F CA 0.848 58.329 58.000 -0.865 0.000 1.307 225 F CB -0.657 37.646 39.000 -1.162 0.000 1.019 225 F HN -0.048 nan 8.300 nan 0.000 0.489 226 L N -0.422 120.727 121.223 -0.124 0.000 2.046 226 L HA -0.233 4.107 4.340 -0.000 0.000 0.208 226 L C 2.132 179.037 176.870 0.058 0.000 1.077 226 L CA 1.343 56.182 54.840 -0.002 0.000 0.747 226 L CB -0.627 41.425 42.059 -0.012 0.000 0.896 226 L HN 0.017 nan 8.230 nan 0.000 0.432 227 D N -1.456 118.963 120.400 0.032 0.000 2.117 227 D HA -0.215 4.425 4.640 -0.000 0.000 0.198 227 D C 1.963 178.370 176.300 0.179 0.000 0.982 227 D CA 1.272 55.319 54.000 0.079 0.000 0.828 227 D CB -0.230 40.587 40.800 0.027 0.000 0.967 227 D HN 0.457 nan 8.370 nan 0.000 0.464 228 H N -0.055 119.059 119.070 0.072 0.000 2.357 228 H HA -0.039 4.516 4.556 -0.000 0.000 0.301 228 H C 2.109 177.628 175.328 0.319 0.000 1.082 228 H CA 1.245 57.407 56.048 0.191 0.000 1.342 228 H CB 0.040 29.927 29.762 0.208 0.000 1.389 228 H HN 0.139 nan 8.280 nan 0.000 0.511 229 G N 0.774 109.780 108.800 0.343 0.000 2.440 229 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.218 229 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.218 229 G C 1.504 176.427 174.900 0.039 0.000 1.154 229 G CA 0.796 46.042 45.100 0.243 0.000 0.767 229 G HN 0.402 nan 8.290 nan 0.000 0.552 230 N N -0.288 118.403 118.700 -0.014 0.000 2.166 230 N HA -0.125 4.615 4.740 -0.000 0.000 0.186 230 N C 1.758 176.852 175.510 -0.693 0.000 1.019 230 N CA 1.038 53.889 53.050 -0.332 0.000 0.856 230 N CB -0.551 37.789 38.487 -0.245 0.000 0.993 230 N HN 0.506 nan 8.380 nan 0.000 0.426 231 Y N 1.740 121.859 120.300 -0.301 0.000 2.165 231 Y HA -0.108 4.441 4.550 -0.000 0.000 0.286 231 Y C 2.031 177.924 175.900 -0.013 0.000 1.155 231 Y CA 1.400 59.469 58.100 -0.051 0.000 1.164 231 Y CB -0.337 38.233 38.460 0.184 0.000 0.978 231 Y HN -0.017 nan 8.280 nan 0.000 0.513 232 L N -0.338 120.898 121.223 0.022 0.000 2.131 232 L HA -0.176 4.163 4.340 -0.000 0.000 0.210 232 L C 2.737 179.514 176.870 -0.155 0.000 1.092 232 L CA 1.070 55.855 54.840 -0.091 0.000 0.759 232 L CB -1.039 40.981 42.059 -0.065 0.000 0.903 232 L HN 0.324 nan 8.230 nan 0.000 0.435 233 A N -0.709 122.003 122.820 -0.181 0.000 1.929 233 A HA -0.163 4.157 4.320 -0.000 0.000 0.216 233 A C 2.029 179.595 177.584 -0.030 0.000 1.176 233 A CA 0.924 52.887 52.037 -0.123 0.000 0.628 233 A CB -0.607 18.323 19.000 -0.117 0.000 0.816 233 A HN 0.314 nan 8.150 nan 0.000 0.444 234 Y N 0.422 120.718 120.300 -0.006 0.000 2.207 234 Y HA -0.103 4.447 4.550 -0.000 0.000 0.287 234 Y C 2.733 178.557 175.900 -0.127 0.000 1.156 234 Y CA 0.369 58.456 58.100 -0.022 0.000 1.182 234 Y CB -1.468 37.013 38.460 0.036 0.000 0.979 234 Y HN 0.291 nan 8.280 nan 0.000 0.521 235 G N -0.239 108.525 108.800 -0.061 0.000 2.440 235 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.218 235 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.218 235 G C 1.664 176.511 174.900 -0.088 0.000 1.154 235 G CA 1.053 46.068 45.100 -0.142 0.000 0.767 235 G HN 0.305 nan 8.290 nan 0.000 0.552 236 L N 1.007 122.193 121.223 -0.061 0.000 2.072 236 L HA 0.214 4.554 4.340 -0.000 0.000 0.205 236 L C 3.266 180.137 176.870 0.002 0.000 1.079 236 L CA 1.596 56.415 54.840 -0.035 0.000 0.752 236 L CB -0.703 41.332 42.059 -0.039 0.000 0.906 236 L HN 0.261 nan 8.230 nan 0.000 0.436 237 A N -0.498 122.338 122.820 0.028 0.000 1.883 237 A HA -0.233 4.087 4.320 -0.000 0.000 0.217 237 A C 2.488 180.069 177.584 -0.006 0.000 1.186 237 A CA 1.997 54.056 52.037 0.036 0.000 0.624 237 A CB -1.079 17.975 19.000 0.091 0.000 0.822 237 A HN 0.405 nan 8.150 nan 0.000 0.444 238 A N -1.049 121.744 122.820 -0.045 0.000 1.940 238 A HA -0.131 4.189 4.320 -0.000 0.000 0.219 238 A C 2.294 179.937 177.584 0.098 0.000 1.176 238 A CA 2.432 54.450 52.037 -0.033 0.000 0.631 238 A CB -1.322 17.628 19.000 -0.083 0.000 0.814 238 A HN 0.470 nan 8.150 nan 0.000 0.446 239 T N 0.207 114.809 114.554 0.080 0.000 2.777 239 T HA 0.017 4.367 4.350 -0.000 0.000 0.266 239 T C 2.231 177.065 174.700 0.223 0.000 1.040 239 T CA 1.474 63.703 62.100 0.215 0.000 1.141 239 T CB -0.455 68.490 68.868 0.130 0.000 0.868 239 T HN 0.618 nan 8.240 nan 0.000 0.444 240 A N 2.051 124.919 122.820 0.080 0.000 1.883 240 A HA -0.162 4.158 4.320 -0.000 0.000 0.217 240 A C 2.665 180.229 177.584 -0.033 0.000 1.186 240 A CA 2.426 54.463 52.037 -0.000 0.000 0.624 240 A CB -1.395 17.587 19.000 -0.029 0.000 0.822 240 A HN 0.636 nan 8.150 nan 0.000 0.444 241 T N -4.229 110.325 114.554 -0.000 0.000 2.821 241 T HA -0.221 4.129 4.350 -0.000 0.000 0.267 241 T C 1.636 176.353 174.700 0.027 0.000 1.046 241 T CA 1.529 63.605 62.100 -0.041 0.000 1.139 241 T CB -0.517 68.349 68.868 -0.004 0.000 0.871 241 T HN 0.657 nan 8.240 nan 0.000 0.454 242 W N 3.246 124.512 121.300 -0.056 0.000 2.354 242 W HA -0.111 4.548 4.660 -0.001 0.000 0.315 242 W C 2.308 178.793 176.519 -0.057 0.000 1.206 242 W CA 1.790 59.105 57.345 -0.050 0.000 1.290 242 W CB -0.888 28.557 29.460 -0.026 0.000 1.152 242 W HN 0.201 nan 8.180 nan 0.000 0.489 243 V N 0.304 120.010 119.914 -0.347 0.000 2.720 243 V HA -0.185 3.935 4.120 -0.000 0.000 0.256 243 V C 1.752 177.623 176.094 -0.372 0.000 1.082 243 V CA 2.134 64.055 62.300 -0.631 0.000 1.101 243 V CB -0.922 30.634 31.823 -0.445 0.000 0.693 243 V HN 0.326 nan 8.190 nan 0.000 0.479 244 L N 0.830 121.903 121.223 -0.249 0.000 2.607 244 L HA 0.507 4.847 4.340 -0.000 0.000 0.228 244 L C 1.797 178.630 176.870 -0.061 0.000 1.123 244 L CA 0.565 55.295 54.840 -0.183 0.000 0.890 244 L CB -0.245 41.613 42.059 -0.335 0.000 1.103 244 L HN 0.586 nan 8.230 nan 0.000 0.468 245 G N 1.502 110.237 108.800 -0.109 0.000 2.176 245 G HA2 -0.284 3.675 3.960 -0.000 0.000 0.252 245 G HA3 -0.284 3.675 3.960 -0.000 0.000 0.252 245 G C 0.011 174.864 174.900 -0.078 0.000 1.024 245 G CA -0.044 45.019 45.100 -0.063 0.000 0.755 245 G HN 0.306 nan 8.290 nan 0.000 0.507 246 I N 1.273 121.759 120.570 -0.139 0.000 2.339 246 I HA 0.345 4.515 4.170 -0.000 0.000 0.290 246 I C -1.957 174.027 176.117 -0.221 0.000 0.994 246 I CA -2.588 58.559 61.300 -0.255 0.000 1.191 246 I CB 1.838 39.521 38.000 -0.528 0.000 1.343 246 I HN -0.138 nan 8.210 nan 0.000 0.458 247 P HA 0.114 nan 4.420 nan 0.000 0.271 247 P C 0.064 177.273 177.300 -0.152 0.000 1.218 247 P CA -0.019 62.955 63.100 -0.210 0.000 0.780 247 P CB 0.413 31.987 31.700 -0.210 0.000 0.901 248 H N 1.006 119.954 119.070 -0.202 0.000 2.495 248 H HA -0.021 4.535 4.556 -0.000 0.000 0.287 248 H C 1.834 177.032 175.328 -0.217 0.000 1.033 248 H CA 0.549 56.463 56.048 -0.222 0.000 1.307 248 H CB -0.040 29.586 29.762 -0.226 0.000 1.401 248 H HN 0.569 nan 8.280 nan 0.000 0.555 249 G N 0.447 109.194 108.800 -0.089 0.000 3.124 249 G HA2 0.067 4.027 3.960 -0.000 0.000 0.212 249 G HA3 0.067 4.027 3.960 -0.000 0.000 0.212 249 G C 0.418 175.163 174.900 -0.257 0.000 1.181 249 G CA -0.061 44.957 45.100 -0.137 0.000 0.803 249 G HN 0.206 nan 8.290 nan 0.000 0.529 250 L N 1.635 122.691 121.223 -0.279 0.000 2.709 250 L HA 0.481 4.821 4.340 -0.000 0.000 0.236 250 L C 0.788 177.813 176.870 0.259 0.000 1.266 250 L CA -0.771 53.791 54.840 -0.463 0.000 0.987 250 L CB 0.779 42.453 42.059 -0.642 0.000 1.306 250 L HN 0.095 nan 8.230 nan 0.000 0.467 251 A N 0.462 123.516 122.820 0.389 0.000 2.366 251 A HA 0.388 4.708 4.320 -0.000 0.000 0.249 251 A C 1.129 179.014 177.584 0.502 0.000 1.084 251 A CA 0.011 52.284 52.037 0.393 0.000 0.794 251 A CB 0.931 20.097 19.000 0.277 0.000 1.034 251 A HN 0.414 nan 8.150 nan 0.000 0.491 252 V N -1.092 118.989 119.914 0.277 0.000 3.431 252 V HA 0.152 4.272 4.120 -0.000 0.000 0.253 252 V C 1.190 177.368 176.094 0.140 0.000 1.184 252 V CA 0.796 63.183 62.300 0.145 0.000 1.104 252 V CB -0.233 31.567 31.823 -0.037 0.000 0.799 252 V HN 0.638 nan 8.190 nan 0.000 0.462 253 L N -0.291 121.005 121.223 0.121 0.000 2.666 253 L HA 0.562 4.901 4.340 -0.000 0.000 0.184 253 L C 0.984 177.887 176.870 0.055 0.000 1.092 253 L CA 0.755 55.671 54.840 0.127 0.000 0.857 253 L CB -0.749 41.354 42.059 0.073 0.000 1.281 253 L HN 0.391 nan 8.230 nan 0.000 0.489 254 H N 0.066 119.206 119.070 0.117 0.000 2.998 254 H HA 0.363 4.918 4.556 -0.000 0.000 0.353 254 H C 0.759 176.131 175.328 0.073 0.000 1.099 254 H CA 0.946 57.069 56.048 0.125 0.000 1.393 254 H CB 0.026 29.909 29.762 0.202 0.000 1.343 254 H HN 0.343 nan 8.280 nan 0.000 0.609 255 G N 1.005 109.908 108.800 0.171 0.000 2.594 255 G HA2 -0.018 3.941 3.960 -0.000 0.000 0.243 255 G HA3 -0.018 3.941 3.960 -0.000 0.000 0.243 255 G C 0.595 175.576 174.900 0.135 0.000 1.229 255 G CA -0.622 44.529 45.100 0.085 0.000 0.843 255 G HN 0.688 nan 8.290 nan 0.000 0.578 256 K N -0.571 119.895 120.400 0.110 0.000 2.280 256 K HA -0.114 4.206 4.320 -0.000 0.000 0.202 256 K C 2.545 179.248 176.600 0.171 0.000 1.047 256 K CA 1.712 58.125 56.287 0.210 0.000 0.942 256 K CB 0.052 32.674 32.500 0.203 0.000 0.739 256 K HN 0.643 nan 8.250 nan 0.000 0.457 257 T N -2.014 112.614 114.554 0.124 0.000 3.107 257 T HA 0.075 4.425 4.350 -0.000 0.000 0.249 257 T C 0.660 175.420 174.700 0.100 0.000 1.096 257 T CA -0.385 61.775 62.100 0.100 0.000 1.012 257 T CB 0.084 69.001 68.868 0.082 0.000 0.977 257 T HN -0.102 nan 8.240 nan 0.000 0.527 258 R N 2.755 123.332 120.500 0.129 0.000 2.370 258 R HA 0.239 4.579 4.340 -0.000 0.000 0.309 258 R C -0.143 176.214 176.300 0.096 0.000 1.059 258 R CA -0.399 55.791 56.100 0.149 0.000 0.981 258 R CB 0.009 30.451 30.300 0.236 0.000 0.972 258 R HN 0.320 nan 8.270 nan 0.000 0.437 259 R N 3.376 123.928 120.500 0.086 0.000 2.522 259 R HA 0.159 4.498 4.340 -0.000 0.000 0.284 259 R C 0.814 177.048 176.300 -0.109 0.000 1.032 259 R CA 0.880 56.992 56.100 0.020 0.000 1.049 259 R CB 0.412 30.741 30.300 0.048 0.000 0.956 259 R HN 1.001 nan 8.270 nan 0.000 0.422 260 G N 2.148 110.792 108.800 -0.259 0.000 2.148 260 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.254 260 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.254 260 G C 1.026 175.286 174.900 -1.066 0.000 0.981 260 G CA 0.264 44.945 45.100 -0.699 0.000 0.670 260 G HN 0.842 nan 8.290 nan 0.000 0.528 261 G N 0.423 108.932 108.800 -0.486 0.000 2.529 261 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.219 261 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.219 261 G C 1.732 176.472 174.900 -0.266 0.000 1.177 261 G CA 1.722 46.657 45.100 -0.275 0.000 0.773 261 G HN 1.080 nan 8.290 nan 0.000 0.573 262 L N 0.744 121.864 121.223 -0.170 0.000 2.083 262 L HA -0.000 4.340 4.340 -0.000 0.000 0.209 262 L C 2.982 179.772 176.870 -0.133 0.000 1.083 262 L CA 1.262 56.065 54.840 -0.061 0.000 0.752 262 L CB -0.407 41.632 42.059 -0.033 0.000 0.899 262 L HN 0.104 nan 8.230 nan 0.000 0.433 263 V N -0.393 119.278 119.914 -0.405 0.000 2.332 263 V HA -0.320 3.800 4.120 -0.000 0.000 0.248 263 V C 2.361 178.382 176.094 -0.122 0.000 1.055 263 V CA 2.083 64.149 62.300 -0.390 0.000 1.038 263 V CB -0.907 30.476 31.823 -0.733 0.000 0.651 263 V HN 0.331 nan 8.190 nan 0.000 0.450 264 F N 0.592 120.417 119.950 -0.208 0.000 2.146 264 F HA -0.094 4.433 4.527 -0.000 0.000 0.298 264 F C 2.288 178.155 175.800 0.113 0.000 1.096 264 F CA 0.973 58.873 58.000 -0.165 0.000 1.275 264 F CB -1.303 37.295 39.000 -0.669 0.000 1.008 264 F HN 0.216 nan 8.300 nan 0.000 0.480 265 D N 0.253 120.839 120.400 0.310 0.000 2.149 265 D HA -0.127 4.513 4.640 -0.000 0.000 0.198 265 D C 2.526 179.183 176.300 0.595 0.000 0.990 265 D CA 1.148 55.427 54.000 0.465 0.000 0.839 265 D CB -0.509 40.438 40.800 0.246 0.000 0.948 265 D HN 0.124 nan 8.370 nan 0.000 0.460 266 V N 0.958 121.153 119.914 0.468 0.000 2.488 266 V HA -0.119 4.001 4.120 -0.000 0.000 0.246 266 V C 2.442 178.707 176.094 0.286 0.000 1.046 266 V CA 1.475 64.011 62.300 0.393 0.000 1.053 266 V CB -0.629 31.335 31.823 0.235 0.000 0.679 266 V HN 0.168 nan 8.190 nan 0.000 0.458 267 A N -0.108 122.899 122.820 0.310 0.000 1.933 267 A HA -0.249 4.071 4.320 -0.000 0.000 0.218 267 A C 1.930 179.677 177.584 0.272 0.000 1.175 267 A CA 1.897 54.108 52.037 0.289 0.000 0.628 267 A CB -0.656 18.601 19.000 0.428 0.000 0.814 267 A HN 0.495 nan 8.150 nan 0.000 0.444 268 D N 0.072 120.680 120.400 0.347 0.000 2.271 268 D HA -0.141 4.499 4.640 -0.000 0.000 0.207 268 D C 1.719 178.167 176.300 0.247 0.000 0.983 268 D CA 0.799 54.985 54.000 0.311 0.000 0.878 268 D CB -0.317 40.713 40.800 0.383 0.000 0.920 268 D HN 0.512 nan 8.370 nan 0.000 0.479 269 L N -0.144 121.228 121.223 0.248 0.000 2.131 269 L HA -0.159 4.181 4.340 -0.000 0.000 0.210 269 L C 1.762 178.723 176.870 0.151 0.000 1.092 269 L CA 0.880 55.841 54.840 0.202 0.000 0.759 269 L CB -0.231 41.954 42.059 0.209 0.000 0.903 269 L HN 0.166 nan 8.230 nan 0.000 0.435 270 I N -5.988 114.658 120.570 0.127 0.000 4.338 270 I HA 0.131 4.301 4.170 -0.000 0.000 0.329 270 I C 1.704 177.865 176.117 0.074 0.000 1.378 270 I CA -0.063 61.275 61.300 0.064 0.000 1.170 270 I CB -0.246 37.775 38.000 0.034 0.000 1.206 270 I HN -0.091 nan 8.210 nan 0.000 0.432 271 K N 1.862 122.326 120.400 0.106 0.000 1.988 271 K HA -0.251 4.069 4.320 -0.000 0.000 0.221 271 K C 1.210 177.894 176.600 0.140 0.000 1.053 271 K CA 2.658 59.017 56.287 0.120 0.000 0.959 271 K CB -0.217 32.376 32.500 0.156 0.000 0.728 271 K HN 0.349 nan 8.250 nan 0.000 0.447 272 D N -0.411 120.067 120.400 0.129 0.000 2.312 272 D HA -0.083 4.557 4.640 -0.000 0.000 0.211 272 D C 1.860 178.334 176.300 0.290 0.000 0.964 272 D CA 1.217 55.308 54.000 0.153 0.000 0.877 272 D CB 0.145 40.941 40.800 -0.006 0.000 0.924 272 D HN 0.372 nan 8.370 nan 0.000 0.515 273 S N -1.063 114.762 115.700 0.208 0.000 2.456 273 S HA 0.106 4.576 4.470 -0.000 0.000 0.224 273 S C 1.759 176.485 174.600 0.210 0.000 1.035 273 S CA 0.061 58.435 58.200 0.291 0.000 0.940 273 S CB 0.166 63.425 63.200 0.098 0.000 0.799 273 S HN 0.178 nan 8.310 nan 0.000 0.508 274 L N -0.704 120.572 121.223 0.088 0.000 2.663 274 L HA 0.369 4.709 4.340 -0.000 0.000 0.218 274 L C 1.828 178.675 176.870 -0.039 0.000 1.043 274 L CA 0.044 54.872 54.840 -0.019 0.000 0.876 274 L CB -0.143 41.890 42.059 -0.044 0.000 1.263 274 L HN 0.181 nan 8.230 nan 0.000 0.486 275 I N 0.096 120.683 120.570 0.029 0.000 2.277 275 I HA -0.168 4.002 4.170 -0.000 0.000 0.243 275 I C 2.305 178.486 176.117 0.106 0.000 1.094 275 I CA 1.161 62.498 61.300 0.062 0.000 1.393 275 I CB -0.810 37.248 38.000 0.097 0.000 1.078 275 I HN 0.110 nan 8.210 nan 0.000 0.417 276 L N 2.008 123.329 121.223 0.162 0.000 1.970 276 L HA -0.112 4.227 4.340 -0.000 0.000 0.212 276 L C -0.474 176.461 176.870 0.109 0.000 1.071 276 L CA 2.565 57.558 54.840 0.255 0.000 0.751 276 L CB -2.286 40.013 42.059 0.399 0.000 0.889 276 L HN 0.110 nan 8.230 nan 0.000 0.432 277 P HA -0.188 nan 4.420 nan 0.000 0.216 277 P C 1.510 178.540 177.300 -0.450 0.000 1.150 277 P CA 1.334 63.953 63.100 -0.802 0.000 0.837 277 P CB -0.021 30.681 31.700 -1.662 0.000 0.786 278 Q N -0.072 119.572 119.800 -0.260 0.000 2.224 278 Q HA -0.069 4.271 4.340 -0.000 0.000 0.203 278 Q C 1.932 177.964 176.000 0.052 0.000 0.970 278 Q CA 1.590 57.314 55.803 -0.131 0.000 0.865 278 Q CB -1.172 27.466 28.738 -0.166 0.000 0.922 278 Q HN 0.096 nan 8.270 nan 0.000 0.445 279 A N -0.624 122.251 122.820 0.092 0.000 1.877 279 A HA -0.115 4.205 4.320 -0.000 0.000 0.216 279 A C 1.742 179.224 177.584 -0.169 0.000 1.186 279 A CA 1.352 53.352 52.037 -0.061 0.000 0.620 279 A CB -0.825 18.073 19.000 -0.170 0.000 0.822 279 A HN 0.472 nan 8.150 nan 0.000 0.443 280 F N -0.127 119.769 119.950 -0.090 0.000 2.259 280 F HA 0.020 4.547 4.527 -0.000 0.000 0.298 280 F C 2.063 177.879 175.800 0.026 0.000 1.088 280 F CA 0.815 58.768 58.000 -0.078 0.000 1.358 280 F CB -0.278 38.657 39.000 -0.108 0.000 1.040 280 F HN 0.089 nan 8.300 nan 0.000 0.505 281 L N -1.151 120.151 121.223 0.131 0.000 2.005 281 L HA -0.220 4.120 4.340 -0.000 0.000 0.207 281 L C 2.547 179.443 176.870 0.043 0.000 1.072 281 L CA 1.275 56.163 54.840 0.080 0.000 0.744 281 L CB -0.887 41.161 42.059 -0.019 0.000 0.895 281 L HN 0.009 nan 8.230 nan 0.000 0.433 282 S N -0.193 115.480 115.700 -0.045 0.000 2.383 282 S HA -0.083 4.387 4.470 -0.000 0.000 0.229 282 S C 1.211 175.845 174.600 0.057 0.000 1.030 282 S CA 0.813 58.928 58.200 -0.142 0.000 1.002 282 S CB -0.336 62.529 63.200 -0.558 0.000 0.829 282 S HN 0.450 nan 8.310 nan 0.000 0.467 286 G N 1.824 110.695 108.800 0.118 0.000 2.249 286 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.273 286 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.273 286 G C -0.517 174.463 174.900 0.134 0.000 1.036 286 G CA 0.647 45.822 45.100 0.125 0.000 0.824 286 G HN 0.350 nan 8.290 nan 0.000 0.504 287 D N 0.383 120.870 120.400 0.144 0.000 2.423 287 D HA 0.370 5.009 4.640 -0.000 0.000 0.238 287 D C 1.095 177.548 176.300 0.255 0.000 1.142 287 D CA 0.326 54.398 54.000 0.121 0.000 0.884 287 D CB 0.669 41.456 40.800 -0.023 0.000 1.199 287 D HN 0.587 nan 8.370 nan 0.000 0.438 288 E N 0.237 120.558 120.200 0.201 0.000 2.322 288 E HA 0.054 4.404 4.350 -0.000 0.000 0.257 288 E C 1.135 177.942 176.600 0.346 0.000 1.155 288 E CA -0.485 56.065 56.400 0.250 0.000 0.936 288 E CB 0.896 30.686 29.700 0.150 0.000 1.130 288 E HN 0.487 nan 8.360 nan 0.000 0.465 289 E N 0.561 120.975 120.200 0.356 0.000 2.065 289 E HA -0.344 4.005 4.350 -0.000 0.000 0.201 289 E C 1.547 178.387 176.600 0.399 0.000 1.016 289 E CA 1.594 58.264 56.400 0.450 0.000 0.818 289 E CB 0.116 29.963 29.700 0.245 0.000 0.749 289 E HN 0.355 nan 8.360 nan 0.000 0.453 290 Q N 0.436 120.381 119.800 0.242 0.000 2.224 290 Q HA -0.119 4.221 4.340 -0.000 0.000 0.203 290 Q C 1.767 177.832 176.000 0.108 0.000 0.970 290 Q CA 1.280 57.190 55.803 0.179 0.000 0.865 290 Q CB -0.108 28.704 28.738 0.122 0.000 0.922 290 Q HN 0.503 nan 8.270 nan 0.000 0.445 291 D N -0.048 120.410 120.400 0.096 0.000 2.117 291 D HA -0.138 4.502 4.640 -0.000 0.000 0.198 291 D C 1.730 178.001 176.300 -0.049 0.000 0.982 291 D CA 0.673 54.685 54.000 0.020 0.000 0.828 291 D CB -0.346 40.469 40.800 0.025 0.000 0.967 291 D HN 0.195 nan 8.370 nan 0.000 0.464 292 F N 2.209 122.047 119.950 -0.187 0.000 2.075 292 F HA -0.162 4.365 4.527 -0.000 0.000 0.297 292 F C 2.524 178.176 175.800 -0.246 0.000 1.113 292 F CA 1.524 59.305 58.000 -0.364 0.000 1.218 292 F CB -0.172 38.388 39.000 -0.734 0.000 0.984 292 F HN -0.254 nan 8.300 nan 0.000 0.472 293 R N -0.015 120.360 120.500 -0.208 0.000 2.113 293 R HA -0.288 4.052 4.340 -0.000 0.000 0.244 293 R C 2.371 178.475 176.300 -0.326 0.000 1.142 293 R CA 2.200 58.112 56.100 -0.313 0.000 0.953 293 R CB -0.606 29.749 30.300 0.092 0.000 0.860 293 R HN 0.369 nan 8.270 nan 0.000 0.438 294 Q N 0.066 119.749 119.800 -0.194 0.000 2.119 294 Q HA -0.014 4.325 4.340 -0.000 0.000 0.201 294 Q C 1.834 177.694 176.000 -0.234 0.000 0.972 294 Q CA 2.020 57.721 55.803 -0.170 0.000 0.847 294 Q CB -0.302 28.382 28.738 -0.089 0.000 0.903 294 Q HN 0.466 nan 8.270 nan 0.000 0.433 295 A N -0.612 122.033 122.820 -0.292 0.000 1.933 295 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 295 A C 2.496 179.860 177.584 -0.368 0.000 1.175 295 A CA 1.505 53.365 52.037 -0.296 0.000 0.628 295 A CB -1.317 17.506 19.000 -0.295 0.000 0.814 295 A HN 0.578 nan 8.150 nan 0.000 0.444 296 C N -0.603 118.361 119.300 -0.561 0.000 2.429 296 C HA -0.018 4.442 4.460 -0.000 0.000 0.277 296 C C 2.650 177.435 174.990 -0.342 0.000 1.262 296 C CA 1.104 59.793 59.018 -0.548 0.000 1.733 296 C CB -1.396 25.840 27.740 -0.839 0.000 2.010 296 C HN 0.616 nan 8.230 nan 0.000 0.483 297 L N 0.184 121.227 121.223 -0.301 0.000 2.141 297 L HA -0.087 4.253 4.340 -0.000 0.000 0.209 297 L C 2.187 178.941 176.870 -0.193 0.000 1.094 297 L CA 1.409 56.113 54.840 -0.226 0.000 0.763 297 L CB -0.843 41.093 42.059 -0.205 0.000 0.908 297 L HN 0.321 nan 8.230 nan 0.000 0.437 298 D N 0.049 120.338 120.400 -0.185 0.000 2.117 298 D HA -0.133 4.506 4.640 -0.000 0.000 0.198 298 D C 1.993 178.218 176.300 -0.126 0.000 0.982 298 D CA 0.856 54.771 54.000 -0.142 0.000 0.828 298 D CB -0.194 40.529 40.800 -0.128 0.000 0.967 298 D HN 0.219 nan 8.370 nan 0.000 0.464 299 N N 0.496 119.105 118.700 -0.152 0.000 2.084 299 N HA -0.098 4.641 4.740 -0.000 0.000 0.190 299 N C 2.089 177.534 175.510 -0.109 0.000 1.030 299 N CA 0.530 53.502 53.050 -0.131 0.000 0.849 299 N CB -0.513 37.876 38.487 -0.164 0.000 1.012 299 N HN 0.231 nan 8.380 nan 0.000 0.423 300 L N 0.213 121.357 121.223 -0.131 0.000 2.046 300 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 300 L C 2.557 179.365 176.870 -0.104 0.000 1.077 300 L CA 1.048 55.822 54.840 -0.111 0.000 0.747 300 L CB -0.555 41.427 42.059 -0.128 0.000 0.896 300 L HN 0.163 nan 8.230 nan 0.000 0.432 301 S N -0.057 115.566 115.700 -0.128 0.000 2.343 301 S HA -0.259 4.211 4.470 -0.000 0.000 0.219 301 S C 2.243 176.790 174.600 -0.089 0.000 1.033 301 S CA 1.625 59.734 58.200 -0.152 0.000 1.014 301 S CB -0.207 62.894 63.200 -0.167 0.000 0.915 301 S HN 0.351 nan 8.310 nan 0.000 0.435 302 R N 0.592 121.090 120.500 -0.002 0.000 2.091 302 R HA -0.017 4.323 4.340 -0.000 0.000 0.238 302 R C 1.999 178.382 176.300 0.139 0.000 1.136 302 R CA 1.502 57.678 56.100 0.127 0.000 0.959 302 R CB -0.648 29.677 30.300 0.042 0.000 0.856 302 R HN 0.446 nan 8.270 nan 0.000 0.437 303 A N 0.535 123.380 122.820 0.041 0.000 2.259 303 A HA 0.008 4.328 4.320 -0.000 0.000 0.208 303 A C 0.299 177.894 177.584 0.019 0.000 1.201 303 A CA 0.228 52.282 52.037 0.028 0.000 0.824 303 A CB -0.104 18.888 19.000 -0.013 0.000 0.838 303 A HN 0.581 nan 8.150 nan 0.000 0.485 304 Q N -2.098 117.721 119.800 0.032 0.000 2.434 304 Q HA -0.327 4.013 4.340 -0.000 0.000 0.299 304 Q C 1.285 177.296 176.000 0.019 0.000 1.286 304 Q CA 0.144 55.953 55.803 0.010 0.000 0.872 304 Q CB -1.920 26.860 28.738 0.070 0.000 1.193 304 Q HN 0.846 nan 8.270 nan 0.000 0.466 305 A N 0.389 123.206 122.820 -0.005 0.000 1.892 305 A HA -0.231 4.089 4.320 -0.000 0.000 0.218 305 A C 1.779 179.403 177.584 0.067 0.000 1.188 305 A CA 1.876 53.929 52.037 0.028 0.000 0.631 305 A CB -0.295 18.699 19.000 -0.011 0.000 0.822 305 A HN 0.524 nan 8.150 nan 0.000 0.447 306 L N -0.100 121.127 121.223 0.007 0.000 2.017 306 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 306 L C 1.778 178.651 176.870 0.006 0.000 1.073 306 L CA 2.626 57.464 54.840 -0.003 0.000 0.745 306 L CB -0.768 41.267 42.059 -0.040 0.000 0.894 306 L HN 0.337 nan 8.230 nan 0.000 0.432 307 D N -0.590 119.813 120.400 0.005 0.000 2.133 307 D HA -0.227 4.413 4.640 -0.000 0.000 0.195 307 D C 1.081 177.405 176.300 0.040 0.000 0.997 307 D CA 1.077 55.081 54.000 0.007 0.000 0.840 307 D CB -0.294 40.514 40.800 0.013 0.000 0.947 307 D HN 0.273 nan 8.370 nan 0.000 0.452 311 D N 1.540 121.810 120.400 -0.216 0.000 2.123 311 D HA -0.129 4.511 4.640 -0.000 0.000 0.196 311 D C 1.827 177.969 176.300 -0.264 0.000 0.992 311 D CA 2.205 56.073 54.000 -0.219 0.000 0.833 311 D CB -0.143 40.536 40.800 -0.201 0.000 0.954 311 D HN 0.314 nan 8.370 nan 0.000 0.455 312 T N 1.215 115.520 114.554 -0.415 0.000 2.720 312 T HA -0.107 4.243 4.350 -0.000 0.000 0.268 312 T C 2.268 176.869 174.700 -0.165 0.000 1.037 312 T CA 0.602 62.475 62.100 -0.378 0.000 1.144 312 T CB -0.282 68.204 68.868 -0.637 0.000 0.864 312 T HN 0.110 nan 8.240 nan 0.000 0.444 313 L N 0.446 121.587 121.223 -0.136 0.000 2.017 313 L HA -0.123 4.216 4.340 -0.000 0.000 0.208 313 L C 2.649 179.563 176.870 0.074 0.000 1.073 313 L CA 1.520 56.387 54.840 0.045 0.000 0.745 313 L CB -0.420 41.580 42.059 -0.098 0.000 0.894 313 L HN 0.210 nan 8.230 nan 0.000 0.432 314 K N -0.280 120.057 120.400 -0.106 0.000 2.032 314 K HA -0.204 4.115 4.320 -0.000 0.000 0.209 314 K C 1.774 178.424 176.600 0.084 0.000 1.048 314 K CA 1.725 57.982 56.287 -0.050 0.000 0.927 314 K CB -0.309 32.124 32.500 -0.110 0.000 0.712 314 K HN 0.248 nan 8.250 nan 0.000 0.441 315 D N 0.518 120.912 120.400 -0.009 0.000 2.097 315 D HA -0.122 4.518 4.640 -0.000 0.000 0.195 315 D C 2.008 178.265 176.300 -0.072 0.000 0.989 315 D CA 0.904 54.866 54.000 -0.063 0.000 0.827 315 D CB -0.302 40.411 40.800 -0.145 0.000 0.966 315 D HN -0.080 nan 8.370 nan 0.000 0.456 316 V N 1.259 121.164 119.914 -0.015 0.000 2.332 316 V HA -0.247 3.872 4.120 -0.000 0.000 0.248 316 V C 2.462 178.581 176.094 0.041 0.000 1.055 316 V CA 1.847 64.145 62.300 -0.004 0.000 1.038 316 V CB -0.719 31.258 31.823 0.256 0.000 0.651 316 V HN 0.195 nan 8.190 nan 0.000 0.450 317 A N -0.770 122.236 122.820 0.309 0.000 1.930 317 A HA -0.264 4.056 4.320 -0.000 0.000 0.217 317 A C 2.157 179.872 177.584 0.217 0.000 1.175 317 A CA 1.994 54.286 52.037 0.425 0.000 0.627 317 A CB -0.480 18.929 19.000 0.682 0.000 0.815 317 A HN 0.528 nan 8.150 nan 0.000 0.443 318 Q N 0.022 119.916 119.800 0.157 0.000 2.046 318 Q HA -0.102 4.238 4.340 -0.000 0.000 0.200 318 Q C 2.203 178.214 176.000 0.020 0.000 0.975 318 Q CA 1.888 57.746 55.803 0.092 0.000 0.836 318 Q CB -0.251 28.528 28.738 0.069 0.000 0.896 318 Q HN 0.662 nan 8.270 nan 0.000 0.428 319 R N -0.228 120.248 120.500 -0.040 0.000 2.081 319 R HA -0.109 4.231 4.340 -0.000 0.000 0.235 319 R C 2.543 178.783 176.300 -0.100 0.000 1.131 319 R CA 1.347 57.395 56.100 -0.087 0.000 0.960 319 R CB -0.622 29.591 30.300 -0.146 0.000 0.856 319 R HN 0.469 nan 8.270 nan 0.000 0.436 320 S N -0.461 115.145 115.700 -0.157 0.000 2.381 320 S HA -0.177 4.293 4.470 -0.000 0.000 0.230 320 S C 0.986 175.570 174.600 -0.027 0.000 1.052 320 S CA 1.676 59.763 58.200 -0.189 0.000 1.068 320 S CB -0.127 62.941 63.200 -0.220 0.000 0.918 320 S HN 0.307 nan 8.310 nan 0.000 0.448 321 T N 0.000 114.573 114.554 0.031 0.000 3.816 321 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 321 T CA 0.000 62.121 62.100 0.034 0.000 1.349 321 T CB 0.000 68.900 68.868 0.054 0.000 0.612 321 T HN 0.000 nan 8.240 nan 0.000 0.658