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 2exk_1_D DATA FIRST_RESID 3 DATA SEQUENCE KIKNPILTGF HPDPSICRVG DDYYIAVSTF EWFPGVRIYH SKDLKNWRLV DATA SEQUENCE ARPLNRLSQL NMIGNPDSGG VWAPHLSYSD GKFWLIYTDV KVVEGQWKDG DATA SEQUENCE HNYLVTCDTI DGAWSDPIYL NSSGFDPSLF HDEDGRKYLV NMYWDHRVDH DATA SEQUENCE HPFYGIVLQE YSVEQKKLVG EPKIIFKGTD LRITGGPHLY KINGYYYLLT DATA SEQUENCE AEGGTRYNHA ATIARSTSLY GPYEVHPDNP LLTSWPYPRN PLQKAGHASI DATA SEQUENCE VHTHTDEWFL VHLTGRPLPR EGQPLLEHRG YCPLGRETAI QRLEWKDGWP DATA SEQUENCE YVVGGNGPSL EIDGPSVEEV SWEKDYDEKD DFDGDTLNHH FQTLRIPLGE DATA SEQUENCE DIATLKARPG HLRLYGRESL TSRFTQAFVA RRWQHFHFVA ETKVSFRPTT DATA SEQUENCE FQQSAGLVNY YNTQNWTTLQ ITWHEEKGRI LELMTCDHLV VDQPLRGREI DATA SEQUENCE VVPDDIEYVY LRVTVQATTY KYSYSFDGMN WIDLPVTFES YKLSDDYIKS DATA SEQUENCE RAAFTGAFVG MHCRDGSGQN NYADFDYFLY KEL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 K HA 0.000 nan 4.320 nan 0.000 0.191 3 K C 0.000 176.606 176.600 0.010 0.000 0.988 3 K CA 0.000 56.291 56.287 0.007 0.000 0.838 3 K CB 0.000 32.501 32.500 0.002 0.000 1.064 4 I N 3.692 124.276 120.570 0.022 0.000 2.297 4 I HA 0.215 4.385 4.170 0.000 0.000 0.291 4 I C -0.285 175.860 176.117 0.045 0.000 1.033 4 I CA -0.479 60.839 61.300 0.030 0.000 1.253 4 I CB 1.003 39.019 38.000 0.027 0.000 1.396 4 I HN 0.092 nan 8.210 nan 0.000 0.476 5 K N 5.252 125.678 120.400 0.043 0.000 2.205 5 K HA 0.323 4.643 4.320 0.000 0.000 0.279 5 K C -0.438 176.188 176.600 0.043 0.000 1.027 5 K CA -0.700 55.616 56.287 0.048 0.000 0.932 5 K CB 0.997 33.526 32.500 0.048 0.000 1.032 5 K HN 0.488 nan 8.250 nan 0.000 0.466 6 N N 2.750 121.477 118.700 0.046 0.000 2.492 6 N HA 0.358 5.098 4.740 0.000 0.000 0.289 6 N C -2.530 173.000 175.510 0.033 0.000 1.133 6 N CA -1.622 51.443 53.050 0.026 0.000 0.961 6 N CB 1.059 39.573 38.487 0.044 0.000 1.186 6 N HN 0.260 nan 8.380 nan 0.000 0.493 7 P HA 0.234 nan 4.420 nan 0.000 0.275 7 P C 0.963 178.192 177.300 -0.117 0.000 1.228 7 P CA -0.379 62.674 63.100 -0.078 0.000 0.786 7 P CB 0.713 32.357 31.700 -0.094 0.000 0.927 8 I N -0.124 120.337 120.570 -0.182 0.000 2.406 8 I HA 0.014 4.185 4.170 0.000 0.000 0.249 8 I C 0.253 176.138 176.117 -0.387 0.000 1.122 8 I CA 1.125 62.300 61.300 -0.209 0.000 1.431 8 I CB -0.423 37.444 38.000 -0.222 0.000 1.087 8 I HN 0.075 nan 8.210 nan 0.000 0.424 9 L N 3.050 123.931 121.223 -0.570 0.000 2.298 9 L HA 0.439 4.779 4.340 0.000 0.000 0.284 9 L C -0.008 176.507 176.870 -0.592 0.000 1.013 9 L CA -0.588 53.741 54.840 -0.851 0.000 0.824 9 L CB 1.468 42.709 42.059 -1.364 0.000 1.221 9 L HN 0.217 nan 8.230 nan 0.000 0.418 10 T N -0.377 113.909 114.554 -0.446 0.000 2.934 10 T HA 0.785 5.135 4.350 0.000 0.000 0.283 10 T C 0.594 175.234 174.700 -0.101 0.000 1.005 10 T CA 0.053 62.006 62.100 -0.244 0.000 1.041 10 T CB 1.897 70.600 68.868 -0.276 0.000 1.042 10 T HN 0.964 nan 8.240 nan 0.000 0.505 11 G N 1.204 109.956 108.800 -0.080 0.000 2.749 11 G HA2 -0.165 3.795 3.960 0.000 0.000 0.242 11 G HA3 -0.165 3.795 3.960 0.000 0.000 0.242 11 G C -0.317 174.664 174.900 0.135 0.000 1.364 11 G CA -0.269 44.823 45.100 -0.013 0.000 0.888 11 G HN 1.444 nan 8.290 nan 0.000 0.566 12 F N 2.289 122.125 119.950 -0.191 0.000 2.408 12 F HA 0.391 4.919 4.527 0.000 0.000 0.361 12 F C 0.766 176.316 175.800 -0.417 0.000 1.108 12 F CA 0.383 58.251 58.000 -0.220 0.000 0.982 12 F CB -0.802 38.054 39.000 -0.240 0.000 0.980 12 F HN 0.524 nan 8.300 nan 0.000 0.557 13 H N 5.033 124.015 119.070 -0.146 0.000 2.806 13 H HA 0.288 4.844 4.556 0.000 0.000 0.218 13 H C -2.658 172.603 175.328 -0.112 0.000 1.392 13 H CA -1.193 54.698 56.048 -0.262 0.000 1.358 13 H CB 0.445 30.035 29.762 -0.286 0.000 1.944 13 H HN 0.341 nan 8.280 nan 0.000 0.530 14 P HA 0.152 nan 4.420 nan 0.000 0.281 14 P C -0.346 176.989 177.300 0.058 0.000 1.281 14 P CA -0.456 62.716 63.100 0.119 0.000 0.811 14 P CB 0.758 32.607 31.700 0.248 0.000 1.154 15 D N -2.035 118.381 120.400 0.027 0.000 2.803 15 D HA -0.121 4.519 4.640 0.000 0.000 0.233 15 D C -2.073 174.305 176.300 0.131 0.000 1.182 15 D CA 0.393 54.373 54.000 -0.033 0.000 0.726 15 D CB -1.628 39.019 40.800 -0.256 0.000 0.987 15 D HN 0.320 nan 8.370 nan 0.000 0.412 16 P HA 0.110 nan 4.420 nan 0.000 0.276 16 P C -0.273 177.148 177.300 0.201 0.000 1.253 16 P CA -0.053 63.112 63.100 0.108 0.000 0.766 16 P CB 1.472 33.180 31.700 0.014 0.000 0.845 17 S N 4.428 120.238 115.700 0.184 0.000 2.498 17 S HA 0.447 4.918 4.470 0.000 0.000 0.324 17 S C -0.336 174.375 174.600 0.184 0.000 1.071 17 S CA -0.899 57.422 58.200 0.201 0.000 1.113 17 S CB -0.288 63.050 63.200 0.229 0.000 0.976 17 S HN 0.419 nan 8.310 nan 0.000 0.462 18 I N 4.803 125.502 120.570 0.216 0.000 2.428 18 I HA 0.591 4.761 4.170 0.000 0.000 0.296 18 I C -0.675 175.652 176.117 0.349 0.000 0.985 18 I CA -0.518 60.957 61.300 0.293 0.000 1.260 18 I CB 1.008 39.190 38.000 0.303 0.000 1.389 18 I HN 0.782 nan 8.210 nan 0.000 0.484 19 C N 8.071 127.633 119.300 0.438 0.000 2.431 19 C HA 0.532 4.992 4.460 0.000 0.000 0.321 19 C C -0.338 174.933 174.990 0.468 0.000 1.202 19 C CA -0.643 58.649 59.018 0.457 0.000 1.398 19 C CB 1.192 29.238 27.740 0.509 0.000 2.047 19 C HN 0.947 nan 8.230 nan 0.000 0.465 20 R N 4.147 124.844 120.500 0.329 0.000 2.368 20 R HA 0.762 5.103 4.340 0.000 0.000 0.302 20 R C -1.535 174.775 176.300 0.017 0.000 1.002 20 R CA -0.292 55.847 56.100 0.065 0.000 0.929 20 R CB 1.157 31.497 30.300 0.068 0.000 1.073 20 R HN 0.617 nan 8.270 nan 0.000 0.464 21 V N 5.802 125.638 119.914 -0.131 0.000 2.385 21 V HA 0.395 4.515 4.120 0.000 0.000 0.277 21 V C 0.882 176.806 176.094 -0.283 0.000 1.012 21 V CA 0.223 62.372 62.300 -0.251 0.000 0.832 21 V CB 0.567 32.154 31.823 -0.394 0.000 1.028 21 V HN 1.187 nan 8.190 nan 0.000 0.436 22 G N 5.295 113.948 108.800 -0.245 0.000 2.574 22 G HA2 -0.318 3.642 3.960 0.000 0.000 0.301 22 G HA3 -0.318 3.642 3.960 0.000 0.000 0.301 22 G C 0.428 175.095 174.900 -0.389 0.000 1.166 22 G CA 0.737 45.693 45.100 -0.240 0.000 0.971 22 G HN 0.955 nan 8.290 nan 0.000 0.542 23 D N 1.286 121.406 120.400 -0.467 0.000 2.424 23 D HA 0.297 4.938 4.640 0.000 0.000 0.220 23 D C -0.135 175.897 176.300 -0.448 0.000 1.150 23 D CA 0.170 53.768 54.000 -0.670 0.000 0.831 23 D CB 0.099 40.389 40.800 -0.851 0.000 0.981 23 D HN 0.371 nan 8.370 nan 0.000 0.500 24 D N 0.229 120.331 120.400 -0.497 0.000 2.181 24 D HA 0.266 4.906 4.640 0.000 0.000 0.248 24 D C -0.710 175.117 176.300 -0.789 0.000 1.020 24 D CA -0.224 53.550 54.000 -0.376 0.000 0.891 24 D CB 1.241 41.965 40.800 -0.128 0.000 1.187 24 D HN 0.060 nan 8.370 nan 0.000 0.443 25 Y N 0.748 120.837 120.300 -0.352 0.000 2.406 25 Y HA 0.364 4.914 4.550 0.000 0.000 0.340 25 Y C -0.705 175.029 175.900 -0.276 0.000 0.975 25 Y CA -0.889 57.084 58.100 -0.212 0.000 1.056 25 Y CB 1.432 39.822 38.460 -0.118 0.000 1.210 25 Y HN 0.216 nan 8.280 nan 0.000 0.448 26 Y N 3.029 123.652 120.300 0.539 0.000 2.425 26 Y HA 0.689 5.239 4.550 0.000 0.000 0.344 26 Y C -0.565 175.605 175.900 0.450 0.000 0.969 26 Y CA -1.174 57.229 58.100 0.505 0.000 1.052 26 Y CB 1.827 40.481 38.460 0.323 0.000 1.215 26 Y HN 0.375 nan 8.280 nan 0.000 0.451 27 I N 2.765 123.630 120.570 0.491 0.000 2.418 27 I HA 0.642 4.812 4.170 0.000 0.000 0.287 27 I C -0.544 175.693 176.117 0.200 0.000 1.008 27 I CA -0.925 60.494 61.300 0.199 0.000 1.104 27 I CB 1.643 39.529 38.000 -0.191 0.000 1.264 27 I HN 0.741 nan 8.210 nan 0.000 0.438 28 A N 6.840 129.752 122.820 0.152 0.000 2.290 28 A HA 0.787 5.107 4.320 0.000 0.000 0.310 28 A C -0.356 177.270 177.584 0.070 0.000 1.202 28 A CA -0.471 51.619 52.037 0.089 0.000 0.837 28 A CB 1.024 20.056 19.000 0.054 0.000 1.139 28 A HN 0.580 nan 8.150 nan 0.000 0.509 29 V N 0.704 120.639 119.914 0.035 0.000 2.960 29 V HA 0.855 4.975 4.120 0.000 0.000 0.315 29 V C 0.198 176.250 176.094 -0.070 0.000 1.087 29 V CA -0.395 61.902 62.300 -0.005 0.000 0.982 29 V CB 1.374 33.189 31.823 -0.013 0.000 1.039 29 V HN 1.116 nan 8.190 nan 0.000 0.437 30 S N 1.188 116.847 115.700 -0.069 0.000 2.592 30 S HA 0.480 4.950 4.470 0.000 0.000 0.271 30 S C 0.735 175.290 174.600 -0.075 0.000 1.326 30 S CA 0.219 58.347 58.200 -0.120 0.000 1.024 30 S CB 1.049 64.110 63.200 -0.232 0.000 0.921 30 S HN 1.416 nan 8.310 nan 0.000 0.527 31 T N -2.177 112.374 114.554 -0.005 0.000 3.016 31 T HA 0.334 4.684 4.350 0.000 0.000 0.271 31 T C 0.501 175.605 174.700 0.673 0.000 0.968 31 T CA -0.257 62.020 62.100 0.296 0.000 0.891 31 T CB -0.839 68.088 68.868 0.098 0.000 1.149 31 T HN 0.544 nan 8.240 nan 0.000 0.524 32 F N 2.674 122.869 119.950 0.407 0.000 2.756 32 F HA -0.345 4.182 4.527 0.000 0.000 0.240 32 F C 1.816 177.770 175.800 0.256 0.000 1.487 32 F CA 1.945 60.169 58.000 0.374 0.000 1.859 32 F CB -1.075 38.136 39.000 0.352 0.000 1.319 32 F HN 0.331 nan 8.300 nan 0.000 0.230 33 E N 0.645 121.051 120.200 0.343 0.000 2.502 33 E HA -0.027 4.323 4.350 0.000 0.000 0.194 33 E C -0.183 176.360 176.600 -0.093 0.000 1.062 33 E CA 0.474 56.896 56.400 0.036 0.000 0.867 33 E CB -0.365 29.250 29.700 -0.143 0.000 0.888 33 E HN 0.493 nan 8.360 nan 0.000 0.510 34 W N 1.015 122.403 121.300 0.147 0.000 2.316 34 W HA 0.399 5.059 4.660 0.000 0.000 0.311 34 W C -0.263 176.327 176.519 0.119 0.000 1.217 34 W CA -0.804 56.591 57.345 0.084 0.000 1.199 34 W CB 0.504 30.018 29.460 0.090 0.000 1.202 34 W HN -0.115 nan 8.180 nan 0.000 0.528 35 F N 6.355 126.412 119.950 0.177 0.000 2.450 35 F HA 0.533 5.060 4.527 0.000 0.000 0.332 35 F C -1.702 174.142 175.800 0.073 0.000 1.093 35 F CA -2.881 55.161 58.000 0.070 0.000 1.003 35 F CB 1.154 40.154 39.000 0.001 0.000 1.151 35 F HN 0.094 nan 8.300 nan 0.000 0.474 36 P HA 0.190 nan 4.420 nan 0.000 0.273 36 P C -0.629 176.296 177.300 -0.626 0.000 1.250 36 P CA -0.275 62.052 63.100 -1.289 0.000 0.793 36 P CB 0.567 31.729 31.700 -0.898 0.000 1.011 37 G N -0.445 107.974 108.800 -0.635 0.000 2.390 37 G HA2 0.467 4.427 3.960 0.000 0.000 0.270 37 G HA3 0.467 4.427 3.960 0.000 0.000 0.270 37 G C -0.625 174.044 174.900 -0.386 0.000 1.211 37 G CA -0.419 44.459 45.100 -0.369 0.000 0.842 37 G HN 0.452 nan 8.290 nan 0.000 0.519 38 V N 0.786 120.534 119.914 -0.276 0.000 3.478 38 V HA -0.191 3.929 4.120 0.000 0.000 0.498 38 V C -0.022 175.906 176.094 -0.276 0.000 0.682 38 V CA 0.306 62.444 62.300 -0.269 0.000 2.047 38 V CB -0.677 30.941 31.823 -0.342 0.000 2.481 38 V HN 1.099 nan 8.190 nan 0.000 0.507 39 R N 4.398 124.773 120.500 -0.209 0.000 2.393 39 R HA 0.776 5.117 4.340 0.000 0.000 0.315 39 R C -0.628 175.591 176.300 -0.134 0.000 0.952 39 R CA -0.718 55.248 56.100 -0.224 0.000 0.842 39 R CB 1.913 32.111 30.300 -0.171 0.000 1.163 39 R HN 0.655 nan 8.270 nan 0.000 0.450 40 I N 3.565 124.003 120.570 -0.220 0.000 2.378 40 I HA 0.325 4.495 4.170 0.000 0.000 0.291 40 I C -0.757 175.294 176.117 -0.111 0.000 0.992 40 I CA -0.859 60.404 61.300 -0.061 0.000 1.154 40 I CB 0.964 38.925 38.000 -0.066 0.000 1.315 40 I HN 0.414 nan 8.210 nan 0.000 0.448 41 Y N 4.407 124.787 120.300 0.134 0.000 2.420 41 Y HA 0.413 4.963 4.550 0.000 0.000 0.334 41 Y C 0.210 176.400 175.900 0.484 0.000 1.094 41 Y CA -0.488 57.756 58.100 0.240 0.000 1.126 41 Y CB 1.265 39.852 38.460 0.211 0.000 1.217 41 Y HN 0.481 nan 8.280 nan 0.000 0.462 42 H N 0.977 120.252 119.070 0.342 0.000 2.569 42 H HA 0.696 5.252 4.556 0.000 0.000 0.357 42 H C -1.372 173.858 175.328 -0.163 0.000 1.153 42 H CA -0.399 55.665 56.048 0.026 0.000 1.193 42 H CB 2.143 31.816 29.762 -0.149 0.000 1.602 42 H HN 0.652 nan 8.280 nan 0.000 0.523 43 S N 2.503 117.552 115.700 -1.085 0.000 2.537 43 S HA 0.258 4.728 4.470 0.000 0.000 0.270 43 S C -0.121 174.077 174.600 -0.671 0.000 1.142 43 S CA -0.767 56.832 58.200 -1.001 0.000 0.870 43 S CB 1.660 63.664 63.200 -1.992 0.000 1.112 43 S HN 0.763 nan 8.310 nan 0.000 0.466 44 K N 1.178 121.375 120.400 -0.337 0.000 2.360 44 K HA 0.153 4.473 4.320 0.000 0.000 0.196 44 K C -0.046 176.468 176.600 -0.143 0.000 1.049 44 K CA 0.559 56.776 56.287 -0.117 0.000 1.049 44 K CB 0.317 32.776 32.500 -0.068 0.000 0.881 44 K HN 0.783 nan 8.250 nan 0.000 0.542 45 D N -0.486 119.713 120.400 -0.337 0.000 2.539 45 D HA 0.058 4.698 4.640 0.000 0.000 0.232 45 D C 0.874 176.910 176.300 -0.441 0.000 1.256 45 D CA -0.260 53.538 54.000 -0.337 0.000 0.810 45 D CB -0.099 40.536 40.800 -0.275 0.000 1.090 45 D HN 0.005 nan 8.370 nan 0.000 0.519 46 L N -0.872 119.997 121.223 -0.589 0.000 5.051 46 L HA -0.338 4.002 4.340 0.000 0.000 0.432 46 L C 1.667 178.497 176.870 -0.066 0.000 1.055 46 L CA 1.622 56.233 54.840 -0.382 0.000 1.095 46 L CB -1.222 40.574 42.059 -0.438 0.000 1.957 46 L HN 0.241 nan 8.230 nan 0.000 0.727 47 K N 0.238 120.498 120.400 -0.233 0.000 2.190 47 K HA 0.101 4.422 4.320 0.000 0.000 0.202 47 K C 0.710 177.302 176.600 -0.013 0.000 1.045 47 K CA 0.342 56.600 56.287 -0.049 0.000 0.976 47 K CB 0.409 32.844 32.500 -0.108 0.000 0.849 47 K HN 0.235 nan 8.250 nan 0.000 0.468 48 N N 0.308 118.859 118.700 -0.248 0.000 2.421 48 N HA 0.143 4.884 4.740 0.000 0.000 0.285 48 N C -1.555 173.902 175.510 -0.089 0.000 1.027 48 N CA -0.135 52.874 53.050 -0.069 0.000 0.918 48 N CB 0.957 39.313 38.487 -0.218 0.000 1.152 48 N HN 0.108 nan 8.380 nan 0.000 0.485 49 W N 1.375 122.874 121.300 0.332 0.000 2.998 49 W HA 0.422 5.082 4.660 0.000 0.000 0.335 49 W C 0.118 176.751 176.519 0.190 0.000 1.110 49 W CA -0.931 56.542 57.345 0.214 0.000 1.230 49 W CB 1.587 31.061 29.460 0.024 0.000 1.405 49 W HN 0.317 nan 8.180 nan 0.000 0.493 50 R N 2.197 122.792 120.500 0.158 0.000 2.686 50 R HA 0.760 5.100 4.340 0.000 0.000 0.283 50 R C -1.404 174.893 176.300 -0.006 0.000 0.978 50 R CA -1.204 54.912 56.100 0.027 0.000 0.897 50 R CB 1.696 31.728 30.300 -0.447 0.000 1.192 50 R HN 0.512 nan 8.270 nan 0.000 0.457 51 L N 3.713 124.785 121.223 -0.251 0.000 2.462 51 L HA 0.044 4.384 4.340 0.000 0.000 0.272 51 L C 0.529 177.157 176.870 -0.404 0.000 1.166 51 L CA 0.480 54.869 54.840 -0.752 0.000 0.880 51 L CB 1.503 42.886 42.059 -1.126 0.000 1.142 51 L HN 0.774 nan 8.230 nan 0.000 0.473 52 V N 1.884 121.611 119.914 -0.311 0.000 3.562 52 V HA 0.739 4.860 4.120 0.000 0.000 0.270 52 V C 0.480 176.481 176.094 -0.156 0.000 1.418 52 V CA 0.422 62.624 62.300 -0.164 0.000 1.033 52 V CB -0.378 31.401 31.823 -0.072 0.000 0.820 52 V HN 0.891 nan 8.190 nan 0.000 0.441 53 A N 0.642 123.333 122.820 -0.216 0.000 2.574 53 A HA 0.878 5.198 4.320 0.000 0.000 0.297 53 A C -0.676 176.747 177.584 -0.269 0.000 1.062 53 A CA -0.818 51.113 52.037 -0.177 0.000 0.686 53 A CB 1.526 20.473 19.000 -0.088 0.000 1.285 53 A HN 0.310 nan 8.150 nan 0.000 0.403 54 R N 2.385 122.734 120.500 -0.253 0.000 2.547 54 R HA 0.306 4.646 4.340 0.000 0.000 0.280 54 R C -2.382 173.699 176.300 -0.364 0.000 1.630 54 R CA -1.460 54.449 56.100 -0.319 0.000 1.470 54 R CB 1.403 31.533 30.300 -0.284 0.000 1.178 54 R HN 0.429 nan 8.270 nan 0.000 0.591 55 P HA -0.107 nan 4.420 nan 0.000 0.217 55 P C 0.093 177.048 177.300 -0.576 0.000 1.151 55 P CA 0.939 63.572 63.100 -0.777 0.000 0.828 55 P CB 0.360 31.103 31.700 -1.596 0.000 0.788 56 L N 0.812 121.686 121.223 -0.580 0.000 2.449 56 L HA 0.252 4.592 4.340 0.000 0.000 0.255 56 L C 0.540 177.119 176.870 -0.485 0.000 1.167 56 L CA -0.216 54.317 54.840 -0.511 0.000 1.090 56 L CB -0.625 41.043 42.059 -0.651 0.000 1.385 56 L HN 0.031 nan 8.230 nan 0.000 0.411 57 N N 0.206 118.726 118.700 -0.300 0.000 2.177 57 N HA 0.104 4.844 4.740 0.000 0.000 0.218 57 N C 0.118 175.707 175.510 0.133 0.000 1.182 57 N CA -0.484 52.424 53.050 -0.236 0.000 0.882 57 N CB 0.621 38.997 38.487 -0.186 0.000 1.052 57 N HN 0.289 nan 8.380 nan 0.000 0.519 58 R N 0.076 120.650 120.500 0.122 0.000 2.637 58 R HA 0.386 4.726 4.340 0.000 0.000 0.291 58 R C 0.565 176.958 176.300 0.156 0.000 0.963 58 R CA -0.846 55.341 56.100 0.145 0.000 0.901 58 R CB 1.902 32.244 30.300 0.070 0.000 1.160 58 R HN -0.010 nan 8.270 nan 0.000 0.457 59 L N 1.173 122.455 121.223 0.099 0.000 2.127 59 L HA -0.243 4.097 4.340 0.000 0.000 0.211 59 L C 2.319 179.204 176.870 0.026 0.000 1.089 59 L CA 1.937 56.799 54.840 0.037 0.000 0.757 59 L CB -0.428 41.617 42.059 -0.023 0.000 0.899 59 L HN 0.778 nan 8.230 nan 0.000 0.434 60 S N -0.950 114.765 115.700 0.026 0.000 2.419 60 S HA -0.226 4.244 4.470 0.000 0.000 0.233 60 S C 1.749 176.349 174.600 0.001 0.000 1.016 60 S CA 0.948 59.155 58.200 0.012 0.000 0.974 60 S CB -0.168 63.044 63.200 0.021 0.000 0.786 60 S HN 0.540 nan 8.310 nan 0.000 0.492 61 Q N -0.293 119.517 119.800 0.017 0.000 2.204 61 Q HA 0.415 4.755 4.340 0.000 0.000 0.198 61 Q C -0.386 175.610 176.000 -0.007 0.000 0.946 61 Q CA 0.420 56.228 55.803 0.009 0.000 0.859 61 Q CB 0.186 28.908 28.738 -0.026 0.000 0.946 61 Q HN 0.458 nan 8.270 nan 0.000 0.474 62 L N 1.215 122.460 121.223 0.036 0.000 2.541 62 L HA 0.418 4.758 4.340 0.000 0.000 0.266 62 L C -1.945 175.003 176.870 0.129 0.000 0.966 62 L CA -0.355 54.539 54.840 0.091 0.000 0.871 62 L CB 1.958 44.066 42.059 0.082 0.000 1.232 62 L HN -0.102 nan 8.230 nan 0.000 0.408 63 N N 5.571 124.308 118.700 0.061 0.000 2.623 63 N HA 0.402 5.143 4.740 0.000 0.000 0.256 63 N C -0.494 175.026 175.510 0.017 0.000 1.045 63 N CA -0.226 52.831 53.050 0.012 0.000 0.863 63 N CB 0.957 39.440 38.487 -0.008 0.000 1.182 63 N HN 0.715 nan 8.380 nan 0.000 0.523 64 M N 2.618 122.217 119.600 -0.002 0.000 2.475 64 M HA 0.258 4.739 4.480 0.000 0.000 0.283 64 M C 0.454 176.703 176.300 -0.084 0.000 1.165 64 M CA -0.630 54.666 55.300 -0.008 0.000 0.976 64 M CB 0.315 32.938 32.600 0.039 0.000 1.428 64 M HN 0.380 nan 8.290 nan 0.000 0.495 65 I N 1.438 121.951 120.570 -0.094 0.000 2.741 65 I HA 0.047 4.217 4.170 0.000 0.000 0.288 65 I C 1.285 177.284 176.117 -0.197 0.000 1.192 65 I CA 1.655 62.883 61.300 -0.121 0.000 1.426 65 I CB 0.326 38.316 38.000 -0.017 0.000 1.367 65 I HN 0.671 nan 8.210 nan 0.000 0.563 66 G N 4.221 112.693 108.800 -0.548 0.000 2.225 66 G HA2 -0.329 3.632 3.960 0.000 0.000 0.254 66 G HA3 -0.329 3.632 3.960 0.000 0.000 0.254 66 G C 0.441 175.097 174.900 -0.408 0.000 0.988 66 G CA 0.173 44.789 45.100 -0.807 0.000 0.625 66 G HN 0.670 nan 8.290 nan 0.000 0.527 67 N N 2.651 121.208 118.700 -0.238 0.000 2.353 67 N HA 0.333 5.074 4.740 0.000 0.000 0.248 67 N C -1.733 173.712 175.510 -0.109 0.000 1.240 67 N CA -0.282 52.700 53.050 -0.112 0.000 0.862 67 N CB 0.714 39.177 38.487 -0.040 0.000 1.086 67 N HN 0.322 nan 8.380 nan 0.000 0.453 68 P HA 0.058 nan 4.420 nan 0.000 0.272 68 P C -0.770 176.536 177.300 0.010 0.000 1.230 68 P CA -0.263 62.827 63.100 -0.016 0.000 0.788 68 P CB 0.579 32.295 31.700 0.027 0.000 0.949 69 D N 0.682 121.077 120.400 -0.009 0.000 2.533 69 D HA -0.019 4.621 4.640 0.000 0.000 0.236 69 D C 0.768 177.095 176.300 0.046 0.000 1.137 69 D CA 0.987 54.980 54.000 -0.012 0.000 0.867 69 D CB -0.272 40.510 40.800 -0.030 0.000 1.170 69 D HN 0.303 nan 8.370 nan 0.000 0.474 70 S N -0.156 115.591 115.700 0.079 0.000 3.382 70 S HA -0.133 4.337 4.470 0.000 0.000 0.293 70 S C 0.829 175.835 174.600 0.677 0.000 1.262 70 S CA 0.768 59.090 58.200 0.202 0.000 0.969 70 S CB -1.139 61.978 63.200 -0.139 0.000 1.136 70 S HN 0.769 nan 8.310 nan 0.000 0.635 71 G N -0.090 109.011 108.800 0.500 0.000 2.574 71 G HA2 0.719 4.680 3.960 0.000 0.000 0.248 71 G HA3 0.719 4.680 3.960 0.000 0.000 0.248 71 G C 0.882 176.079 174.900 0.496 0.000 1.422 71 G CA 0.316 45.703 45.100 0.479 0.000 1.051 71 G HN 1.500 nan 8.290 nan 0.000 0.560 72 G N -1.891 107.055 108.800 0.244 0.000 2.514 72 G HA2 -0.150 3.810 3.960 0.000 0.000 0.265 72 G HA3 -0.150 3.810 3.960 0.000 0.000 0.265 72 G C 0.062 175.084 174.900 0.204 0.000 1.150 72 G CA 0.182 45.407 45.100 0.208 0.000 0.959 72 G HN 1.488 nan 8.290 nan 0.000 0.556 73 V N 1.658 121.657 119.914 0.142 0.000 2.381 73 V HA 0.385 4.505 4.120 0.000 0.000 0.257 73 V C 0.680 176.613 176.094 -0.268 0.000 1.057 73 V CA 0.053 62.372 62.300 0.032 0.000 1.013 73 V CB -0.244 31.572 31.823 -0.012 0.000 1.069 73 V HN 0.465 nan 8.190 nan 0.000 0.484 74 W N 2.340 123.368 121.300 -0.454 0.000 1.807 74 W HA 0.605 5.265 4.660 0.000 0.000 0.493 74 W C 0.979 177.307 176.519 -0.318 0.000 2.080 74 W CA -0.814 56.164 57.345 -0.613 0.000 2.345 74 W CB 0.066 29.382 29.460 -0.240 0.000 1.717 74 W HN 0.517 nan 8.180 nan 0.000 0.777 75 A N 3.930 126.808 122.820 0.097 0.000 2.573 75 A HA 0.185 4.505 4.320 0.000 0.000 0.250 75 A C -2.062 175.657 177.584 0.226 0.000 1.049 75 A CA -0.367 51.739 52.037 0.115 0.000 0.767 75 A CB -1.340 17.757 19.000 0.163 0.000 0.965 75 A HN 0.179 nan 8.150 nan 0.000 0.514 76 P HA 0.430 nan 4.420 nan 0.000 0.285 76 P C -1.110 176.405 177.300 0.359 0.000 1.280 76 P CA -0.291 62.959 63.100 0.250 0.000 0.862 76 P CB 1.241 33.020 31.700 0.132 0.000 1.153 77 H N 0.418 119.645 119.070 0.261 0.000 2.658 77 H HA 0.591 5.147 4.556 0.000 0.000 0.337 77 H C -1.600 173.900 175.328 0.286 0.000 1.009 77 H CA -0.742 55.480 56.048 0.289 0.000 1.231 77 H CB 0.696 30.649 29.762 0.319 0.000 1.508 77 H HN 0.166 nan 8.280 nan 0.000 0.517 78 L N 5.086 126.194 121.223 -0.192 0.000 2.313 78 L HA 0.634 4.974 4.340 0.000 0.000 0.283 78 L C -0.813 176.026 176.870 -0.051 0.000 1.013 78 L CA -0.015 54.836 54.840 0.017 0.000 0.816 78 L CB 1.109 43.262 42.059 0.156 0.000 1.236 78 L HN 0.826 nan 8.230 nan 0.000 0.419 79 S N 3.517 119.366 115.700 0.248 0.000 2.697 79 S HA 0.694 5.164 4.470 0.000 0.000 0.289 79 S C -1.347 173.578 174.600 0.542 0.000 1.149 79 S CA -0.700 57.727 58.200 0.380 0.000 0.850 79 S CB 1.519 65.002 63.200 0.472 0.000 1.151 79 S HN 0.557 nan 8.310 nan 0.000 0.491 80 Y N 0.377 120.791 120.300 0.189 0.000 2.421 80 Y HA 0.710 5.260 4.550 0.000 0.000 0.339 80 Y C -0.578 175.219 175.900 -0.172 0.000 0.996 80 Y CA 0.086 58.162 58.100 -0.040 0.000 1.046 80 Y CB 1.951 40.196 38.460 -0.359 0.000 1.226 80 Y HN 1.161 nan 8.280 nan 0.000 0.445 81 S N 3.632 118.993 115.700 -0.566 0.000 2.565 81 S HA 0.322 4.793 4.470 0.000 0.000 0.274 81 S C -1.693 172.749 174.600 -0.263 0.000 1.144 81 S CA -0.402 57.494 58.200 -0.506 0.000 0.849 81 S CB 0.852 63.416 63.200 -1.059 0.000 1.103 81 S HN 0.831 nan 8.310 nan 0.000 0.455 82 D N 1.811 122.096 120.400 -0.191 0.000 2.701 82 D HA -0.155 4.485 4.640 0.000 0.000 0.235 82 D C 0.925 177.119 176.300 -0.176 0.000 1.155 82 D CA 2.292 56.242 54.000 -0.083 0.000 0.649 82 D CB -1.690 39.155 40.800 0.074 0.000 1.050 82 D HN 1.770 nan 8.370 nan 0.000 0.425 83 G N -0.210 108.377 108.800 -0.354 0.000 2.143 83 G HA2 -0.339 3.621 3.960 0.000 0.000 0.248 83 G HA3 -0.339 3.621 3.960 0.000 0.000 0.248 83 G C 0.174 174.811 174.900 -0.439 0.000 0.991 83 G CA 0.952 45.875 45.100 -0.294 0.000 0.689 83 G HN 0.849 nan 8.290 nan 0.000 0.522 84 K N -1.302 118.600 120.400 -0.830 0.000 2.556 84 K HA 0.717 5.038 4.320 0.000 0.000 0.274 84 K C -0.837 175.287 176.600 -0.793 0.000 0.966 84 K CA -1.382 54.499 56.287 -0.676 0.000 0.865 84 K CB 1.145 33.296 32.500 -0.580 0.000 1.444 84 K HN -0.033 nan 8.250 nan 0.000 0.433 85 F N 0.956 120.739 119.950 -0.279 0.000 2.429 85 F HA 0.336 4.863 4.527 0.000 0.000 0.348 85 F C -0.421 175.329 175.800 -0.083 0.000 1.109 85 F CA 0.273 58.285 58.000 0.021 0.000 1.232 85 F CB 0.645 39.666 39.000 0.035 0.000 1.157 85 F HN 0.370 nan 8.300 nan 0.000 0.564 86 W N 5.111 126.647 121.300 0.393 0.000 2.532 86 W HA 0.597 5.257 4.660 0.000 0.000 0.321 86 W C -1.360 175.422 176.519 0.438 0.000 1.037 86 W CA -0.794 56.781 57.345 0.385 0.000 1.220 86 W CB 1.276 30.936 29.460 0.334 0.000 1.361 86 W HN 0.128 nan 8.180 nan 0.000 0.468 87 L N 6.001 127.597 121.223 0.623 0.000 2.319 87 L HA 0.603 4.943 4.340 0.000 0.000 0.281 87 L C -0.991 176.117 176.870 0.397 0.000 1.005 87 L CA -0.880 54.199 54.840 0.397 0.000 0.828 87 L CB 0.492 42.589 42.059 0.063 0.000 1.227 87 L HN 0.213 nan 8.230 nan 0.000 0.415 88 I N 6.165 126.958 120.570 0.371 0.000 2.359 88 I HA 0.430 4.601 4.170 0.000 0.000 0.294 88 I C -0.455 175.868 176.117 0.344 0.000 0.987 88 I CA -0.551 60.929 61.300 0.299 0.000 1.225 88 I CB 0.742 38.890 38.000 0.247 0.000 1.366 88 I HN 0.723 nan 8.210 nan 0.000 0.466 89 Y N 2.293 122.692 120.300 0.165 0.000 2.625 89 Y HA 0.784 5.335 4.550 0.000 0.000 0.338 89 Y C -0.797 175.219 175.900 0.193 0.000 1.123 89 Y CA -1.003 57.187 58.100 0.151 0.000 1.046 89 Y CB 1.364 39.877 38.460 0.088 0.000 1.299 89 Y HN 0.433 nan 8.280 nan 0.000 0.464 90 T N 1.588 116.306 114.554 0.273 0.000 2.885 90 T HA 0.309 4.659 4.350 0.000 0.000 0.285 90 T C -1.700 173.156 174.700 0.261 0.000 1.019 90 T CA -0.584 61.610 62.100 0.157 0.000 1.010 90 T CB 1.456 70.354 68.868 0.051 0.000 1.022 90 T HN 0.672 nan 8.240 nan 0.000 0.466 91 D N 2.381 122.944 120.400 0.272 0.000 2.472 91 D HA 0.343 4.983 4.640 0.000 0.000 0.234 91 D C -0.640 175.670 176.300 0.017 0.000 1.088 91 D CA -0.490 53.644 54.000 0.223 0.000 0.882 91 D CB 0.571 41.589 40.800 0.363 0.000 1.037 91 D HN 0.166 nan 8.370 nan 0.000 0.520 92 V N 5.708 125.531 119.914 -0.153 0.000 2.432 92 V HA 0.174 4.294 4.120 0.000 0.000 0.271 92 V C 1.344 177.335 176.094 -0.172 0.000 1.046 92 V CA -0.318 61.765 62.300 -0.362 0.000 0.945 92 V CB 1.422 32.694 31.823 -0.918 0.000 0.992 92 V HN 0.427 nan 8.190 nan 0.000 0.471 93 K N 3.249 123.546 120.400 -0.172 0.000 2.276 93 K HA 0.246 4.566 4.320 0.000 0.000 0.198 93 K C 0.075 176.629 176.600 -0.076 0.000 1.052 93 K CA 0.651 56.889 56.287 -0.081 0.000 0.984 93 K CB 0.691 33.159 32.500 -0.053 0.000 0.836 93 K HN 0.455 nan 8.250 nan 0.000 0.490 94 V N 2.104 121.940 119.914 -0.129 0.000 2.444 94 V HA 0.178 4.298 4.120 0.000 0.000 0.294 94 V C 0.471 176.513 176.094 -0.087 0.000 1.022 94 V CA -0.604 61.652 62.300 -0.074 0.000 0.850 94 V CB 1.916 33.705 31.823 -0.056 0.000 0.992 94 V HN 0.022 nan 8.190 nan 0.000 0.426 95 V N 0.801 120.730 119.914 0.024 0.000 3.330 95 V HA 0.552 4.672 4.120 0.000 0.000 0.309 95 V C 0.188 176.370 176.094 0.146 0.000 1.481 95 V CA 0.123 62.494 62.300 0.119 0.000 1.068 95 V CB 0.041 32.028 31.823 0.273 0.000 0.935 95 V HN 0.792 nan 8.190 nan 0.000 0.453 96 E N 0.328 120.598 120.200 0.117 0.000 2.314 96 E HA 0.662 5.012 4.350 0.000 0.000 0.272 96 E C 0.153 176.855 176.600 0.171 0.000 0.884 96 E CA -0.056 56.428 56.400 0.141 0.000 0.753 96 E CB 2.270 32.036 29.700 0.110 0.000 1.213 96 E HN 0.578 nan 8.360 nan 0.000 0.432 97 G N 1.545 110.463 108.800 0.195 0.000 2.416 97 G HA2 -0.225 3.735 3.960 0.000 0.000 0.203 97 G HA3 -0.225 3.735 3.960 0.000 0.000 0.203 97 G C 0.199 175.237 174.900 0.230 0.000 1.227 97 G CA -0.548 44.680 45.100 0.213 0.000 1.041 97 G HN 0.418 nan 8.290 nan 0.000 0.546 98 Q N -0.613 119.278 119.800 0.152 0.000 2.378 98 Q HA 0.108 4.449 4.340 0.000 0.000 0.205 98 Q C 0.607 176.618 176.000 0.019 0.000 0.954 98 Q CA 0.905 56.653 55.803 -0.092 0.000 0.901 98 Q CB 0.258 28.619 28.738 -0.629 0.000 0.981 98 Q HN 0.511 nan 8.270 nan 0.000 0.483 99 W N 0.250 121.716 121.300 0.277 0.000 2.647 99 W HA 0.371 5.031 4.660 0.000 0.000 0.353 99 W C 0.472 176.795 176.519 -0.327 0.000 1.080 99 W CA -0.793 56.597 57.345 0.075 0.000 1.208 99 W CB 1.141 30.589 29.460 -0.020 0.000 1.396 99 W HN -0.229 nan 8.180 nan 0.000 0.573 100 K N 1.468 121.510 120.400 -0.597 0.000 3.278 100 K HA 0.111 4.431 4.320 0.000 0.000 0.200 100 K C -0.753 175.517 176.600 -0.551 0.000 1.107 100 K CA -0.133 55.693 56.287 -0.769 0.000 0.923 100 K CB -0.375 31.265 32.500 -1.432 0.000 0.787 100 K HN 0.136 nan 8.250 nan 0.000 0.481 101 D N 0.973 121.181 120.400 -0.321 0.000 2.581 101 D HA 0.212 4.852 4.640 0.000 0.000 0.238 101 D C 0.412 176.452 176.300 -0.434 0.000 1.145 101 D CA 1.066 54.875 54.000 -0.318 0.000 0.866 101 D CB 0.955 41.625 40.800 -0.217 0.000 1.151 101 D HN 0.493 nan 8.370 nan 0.000 0.500 102 G N 1.548 109.997 108.800 -0.585 0.000 2.667 102 G HA2 0.373 4.334 3.960 0.000 0.000 0.294 102 G HA3 0.373 4.334 3.960 0.000 0.000 0.294 102 G C -1.648 172.836 174.900 -0.693 0.000 1.467 102 G CA -0.798 43.942 45.100 -0.600 0.000 0.852 102 G HN 0.420 nan 8.290 nan 0.000 0.521 103 H N 0.950 119.958 119.070 -0.103 0.000 2.538 103 H HA 0.446 5.002 4.556 0.000 0.000 0.353 103 H C -0.552 174.507 175.328 -0.448 0.000 1.109 103 H CA -0.774 55.150 56.048 -0.207 0.000 1.192 103 H CB 2.137 31.815 29.762 -0.139 0.000 1.555 103 H HN 0.356 nan 8.280 nan 0.000 0.518 104 N N 2.351 120.774 118.700 -0.461 0.000 2.456 104 N HA 0.260 5.000 4.740 0.000 0.000 0.288 104 N C -0.848 174.192 175.510 -0.784 0.000 1.059 104 N CA -0.199 52.560 53.050 -0.486 0.000 0.946 104 N CB 1.329 39.636 38.487 -0.300 0.000 1.150 104 N HN 0.455 nan 8.380 nan 0.000 0.479 105 Y N -0.001 120.051 120.300 -0.414 0.000 2.553 105 Y HA 0.495 5.045 4.550 0.000 0.000 0.347 105 Y C -0.413 175.273 175.900 -0.356 0.000 1.019 105 Y CA -1.180 56.655 58.100 -0.442 0.000 1.032 105 Y CB 1.732 39.772 38.460 -0.699 0.000 1.284 105 Y HN 0.297 nan 8.280 nan 0.000 0.466 106 L N 3.921 125.169 121.223 0.042 0.000 2.341 106 L HA 0.911 5.251 4.340 0.000 0.000 0.278 106 L C -1.151 175.877 176.870 0.263 0.000 1.005 106 L CA -0.734 54.189 54.840 0.138 0.000 0.818 106 L CB 1.402 43.481 42.059 0.034 0.000 1.259 106 L HN 0.476 nan 8.230 nan 0.000 0.418 107 V N 1.171 121.308 119.914 0.372 0.000 2.823 107 V HA 0.945 5.065 4.120 0.000 0.000 0.312 107 V C -0.205 176.152 176.094 0.439 0.000 1.072 107 V CA 0.096 62.632 62.300 0.393 0.000 0.937 107 V CB 1.483 33.567 31.823 0.435 0.000 1.013 107 V HN 0.943 nan 8.190 nan 0.000 0.430 108 T N 0.027 114.730 114.554 0.249 0.000 2.916 108 T HA 0.804 5.154 4.350 0.000 0.000 0.292 108 T C -0.701 173.814 174.700 -0.309 0.000 1.055 108 T CA -0.656 61.407 62.100 -0.063 0.000 1.009 108 T CB 1.625 70.221 68.868 -0.454 0.000 1.118 108 T HN 1.334 nan 8.240 nan 0.000 0.497 109 C N 1.085 119.969 119.300 -0.695 0.000 3.082 109 C HA 0.499 4.960 4.460 0.000 0.000 0.324 109 C C 0.650 175.349 174.990 -0.485 0.000 1.210 109 C CA -0.480 58.039 59.018 -0.833 0.000 1.366 109 C CB 1.309 27.971 27.740 -1.795 0.000 1.756 109 C HN 1.063 nan 8.230 nan 0.000 0.485 110 D N 1.091 121.292 120.400 -0.331 0.000 2.144 110 D HA 0.033 4.674 4.640 0.000 0.000 0.200 110 D C 1.134 177.430 176.300 -0.006 0.000 0.978 110 D CA 1.696 55.600 54.000 -0.159 0.000 0.833 110 D CB 0.189 40.907 40.800 -0.136 0.000 0.961 110 D HN 0.839 nan 8.370 nan 0.000 0.470 111 T N -2.114 112.371 114.554 -0.116 0.000 2.932 111 T HA 0.348 4.698 4.350 0.000 0.000 0.289 111 T C 1.070 175.574 174.700 -0.327 0.000 1.039 111 T CA -0.810 61.251 62.100 -0.065 0.000 1.024 111 T CB 1.947 70.749 68.868 -0.110 0.000 1.090 111 T HN -0.232 nan 8.240 nan 0.000 0.496 112 I N 1.170 121.461 120.570 -0.465 0.000 2.454 112 I HA -0.039 4.132 4.170 0.000 0.000 0.254 112 I C 0.987 177.000 176.117 -0.173 0.000 1.156 112 I CA 1.477 62.360 61.300 -0.695 0.000 1.433 112 I CB -0.255 37.185 38.000 -0.933 0.000 1.082 112 I HN 0.864 nan 8.210 nan 0.000 0.432 113 D N -1.569 118.747 120.400 -0.139 0.000 2.571 113 D HA 0.246 4.886 4.640 0.000 0.000 0.239 113 D C 0.871 177.155 176.300 -0.026 0.000 1.267 113 D CA -0.001 53.992 54.000 -0.013 0.000 0.823 113 D CB -0.743 40.025 40.800 -0.054 0.000 1.056 113 D HN 0.188 nan 8.370 nan 0.000 0.494 114 G N 0.118 108.834 108.800 -0.139 0.000 2.504 114 G HA2 0.483 4.443 3.960 0.000 0.000 0.257 114 G HA3 0.483 4.443 3.960 0.000 0.000 0.257 114 G C -0.277 174.587 174.900 -0.059 0.000 1.451 114 G CA -0.483 44.531 45.100 -0.143 0.000 1.059 114 G HN 0.341 nan 8.290 nan 0.000 0.550 115 A N -0.754 122.022 122.820 -0.072 0.000 2.391 115 A HA 0.515 4.835 4.320 0.000 0.000 0.316 115 A C -0.697 176.885 177.584 -0.003 0.000 1.381 115 A CA -0.614 51.434 52.037 0.018 0.000 0.998 115 A CB -0.355 18.646 19.000 0.002 0.000 1.147 115 A HN 0.421 nan 8.150 nan 0.000 0.545 116 W N 2.298 123.559 121.300 -0.065 0.000 2.148 116 W HA 0.305 4.965 4.660 0.000 0.000 0.347 116 W C 1.281 177.780 176.519 -0.034 0.000 1.288 116 W CA 0.773 58.084 57.345 -0.056 0.000 1.252 116 W CB 0.533 29.952 29.460 -0.067 0.000 1.156 116 W HN 0.813 nan 8.180 nan 0.000 0.580 117 S N 1.159 116.971 115.700 0.186 0.000 2.587 117 S HA 0.035 4.505 4.470 0.000 0.000 0.260 117 S C -0.099 174.590 174.600 0.149 0.000 1.353 117 S CA -0.806 57.466 58.200 0.120 0.000 0.995 117 S CB 0.530 63.780 63.200 0.082 0.000 0.912 117 S HN 0.397 nan 8.310 nan 0.000 0.568 118 D N 2.608 123.072 120.400 0.107 0.000 2.372 118 D HA 0.325 4.966 4.640 0.000 0.000 0.243 118 D C -1.979 174.405 176.300 0.139 0.000 1.121 118 D CA -1.062 53.001 54.000 0.104 0.000 0.898 118 D CB 0.383 41.227 40.800 0.074 0.000 1.202 118 D HN 0.423 nan 8.370 nan 0.000 0.428 119 P HA 0.167 nan 4.420 nan 0.000 0.271 119 P C -0.255 177.179 177.300 0.223 0.000 1.216 119 P CA -0.107 63.113 63.100 0.199 0.000 0.776 119 P CB 0.770 32.527 31.700 0.096 0.000 0.881 120 I N 3.322 124.037 120.570 0.241 0.000 2.315 120 I HA 0.144 4.314 4.170 0.000 0.000 0.291 120 I C 0.518 176.799 176.117 0.273 0.000 1.006 120 I CA -1.020 60.430 61.300 0.249 0.000 1.265 120 I CB 0.443 38.588 38.000 0.243 0.000 1.387 120 I HN 0.342 nan 8.210 nan 0.000 0.475 121 Y N 7.045 127.455 120.300 0.183 0.000 2.544 121 Y HA 0.145 4.695 4.550 0.000 0.000 0.330 121 Y C 0.164 176.067 175.900 0.006 0.000 1.136 121 Y CA 0.221 58.361 58.100 0.067 0.000 1.417 121 Y CB 0.646 39.134 38.460 0.047 0.000 1.229 121 Y HN 0.516 nan 8.280 nan 0.000 0.532 122 L N 4.078 124.805 121.223 -0.826 0.000 2.327 122 L HA 0.180 4.520 4.340 0.000 0.000 0.192 122 L C 0.142 176.505 176.870 -0.844 0.000 1.158 122 L CA 0.323 54.796 54.840 -0.612 0.000 0.813 122 L CB -0.224 41.601 42.059 -0.390 0.000 1.021 122 L HN 0.749 nan 8.230 nan 0.000 0.481 123 N N -3.119 115.047 118.700 -0.891 0.000 3.364 123 N HA 0.167 4.907 4.740 0.000 0.000 0.294 123 N C -0.639 174.703 175.510 -0.280 0.000 1.562 123 N CA -0.424 52.323 53.050 -0.505 0.000 0.862 123 N CB 1.450 39.828 38.487 -0.182 0.000 1.691 123 N HN -0.166 nan 8.380 nan 0.000 0.572 124 S N -1.238 114.440 115.700 -0.038 0.000 2.911 124 S HA 0.098 4.569 4.470 0.000 0.000 0.261 124 S C 0.743 175.279 174.600 -0.107 0.000 1.021 124 S CA 0.123 58.312 58.200 -0.017 0.000 1.222 124 S CB -0.300 62.996 63.200 0.160 0.000 1.171 124 S HN 0.672 nan 8.310 nan 0.000 0.669 125 S N 1.404 117.038 115.700 -0.111 0.000 2.469 125 S HA 0.364 4.835 4.470 0.000 0.000 0.238 125 S C 1.054 175.502 174.600 -0.252 0.000 0.998 125 S CA 0.607 58.676 58.200 -0.218 0.000 0.957 125 S CB 0.020 63.133 63.200 -0.145 0.000 0.764 125 S HN 0.734 nan 8.310 nan 0.000 0.514 126 G N 0.268 108.960 108.800 -0.181 0.000 2.325 126 G HA2 0.412 4.372 3.960 0.000 0.000 0.297 126 G HA3 0.412 4.372 3.960 0.000 0.000 0.297 126 G C -0.627 174.167 174.900 -0.177 0.000 1.448 126 G CA -0.748 44.214 45.100 -0.230 0.000 0.838 126 G HN 0.319 nan 8.290 nan 0.000 0.579 127 F N -0.839 119.056 119.950 -0.092 0.000 2.251 127 F HA 0.696 5.223 4.527 0.000 0.000 0.302 127 F C 0.663 176.525 175.800 0.104 0.000 1.143 127 F CA -0.086 57.894 58.000 -0.032 0.000 1.104 127 F CB 0.210 39.180 39.000 -0.049 0.000 1.516 127 F HN 0.416 nan 8.300 nan 0.000 0.511 128 D N -0.658 120.014 120.400 0.453 0.000 2.699 128 D HA -0.117 4.523 4.640 0.000 0.000 0.239 128 D C -2.511 173.878 176.300 0.148 0.000 1.136 128 D CA 0.408 54.615 54.000 0.345 0.000 0.668 128 D CB -1.777 39.240 40.800 0.363 0.000 1.060 128 D HN 0.360 nan 8.370 nan 0.000 0.429 129 P HA 0.242 nan 4.420 nan 0.000 0.275 129 P C -0.306 177.036 177.300 0.070 0.000 1.228 129 P CA -0.058 63.074 63.100 0.053 0.000 0.786 129 P CB 1.710 33.427 31.700 0.029 0.000 0.927 130 S N 2.262 117.930 115.700 -0.052 0.000 2.548 130 S HA 0.532 5.002 4.470 0.000 0.000 0.276 130 S C -1.470 173.006 174.600 -0.205 0.000 1.129 130 S CA -0.707 57.324 58.200 -0.281 0.000 0.931 130 S CB 0.645 63.629 63.200 -0.360 0.000 1.068 130 S HN 0.320 nan 8.310 nan 0.000 0.480 131 L N 5.140 126.287 121.223 -0.126 0.000 2.296 131 L HA 0.740 5.080 4.340 0.000 0.000 0.286 131 L C -1.206 175.605 176.870 -0.098 0.000 1.023 131 L CA -0.464 54.334 54.840 -0.071 0.000 0.812 131 L CB 1.048 43.062 42.059 -0.075 0.000 1.223 131 L HN 0.689 nan 8.230 nan 0.000 0.421 132 F N 4.843 124.634 119.950 -0.265 0.000 2.436 132 F HA 0.480 5.007 4.527 0.000 0.000 0.340 132 F C -0.482 175.159 175.800 -0.264 0.000 1.113 132 F CA -0.449 57.441 58.000 -0.183 0.000 1.022 132 F CB 0.692 39.672 39.000 -0.033 0.000 1.128 132 F HN 0.497 nan 8.300 nan 0.000 0.466 133 H N 4.680 123.418 119.070 -0.552 0.000 2.685 133 H HA 0.182 4.738 4.556 0.000 0.000 0.286 133 H C -0.623 174.192 175.328 -0.855 0.000 1.102 133 H CA -0.649 55.046 56.048 -0.589 0.000 1.254 133 H CB 0.827 30.378 29.762 -0.351 0.000 1.397 133 H HN 0.570 nan 8.280 nan 0.000 0.473 134 D N 1.814 121.786 120.400 -0.712 0.000 2.344 134 D HA -0.014 4.626 4.640 0.000 0.000 0.244 134 D C 1.206 177.470 176.300 -0.060 0.000 1.134 134 D CA -0.301 53.468 54.000 -0.384 0.000 0.930 134 D CB 1.210 42.061 40.800 0.085 0.000 1.175 134 D HN 0.426 nan 8.370 nan 0.000 0.437 135 E N 0.919 121.157 120.200 0.063 0.000 2.209 135 E HA -0.177 4.174 4.350 0.000 0.000 0.196 135 E C 0.890 177.525 176.600 0.057 0.000 0.993 135 E CA 0.840 57.280 56.400 0.066 0.000 0.819 135 E CB -0.148 29.605 29.700 0.087 0.000 0.745 135 E HN 0.548 nan 8.360 nan 0.000 0.477 136 D N -0.534 119.914 120.400 0.080 0.000 2.336 136 D HA 0.053 4.693 4.640 0.000 0.000 0.229 136 D C 1.323 177.646 176.300 0.039 0.000 1.061 136 D CA 0.726 54.768 54.000 0.070 0.000 0.875 136 D CB -0.006 40.856 40.800 0.103 0.000 0.904 136 D HN 0.205 nan 8.370 nan 0.000 0.525 137 G N 0.114 108.922 108.800 0.013 0.000 2.217 137 G HA2 -0.320 3.640 3.960 0.000 0.000 0.246 137 G HA3 -0.320 3.640 3.960 0.000 0.000 0.246 137 G C 0.316 175.186 174.900 -0.050 0.000 0.990 137 G CA -0.116 44.975 45.100 -0.015 0.000 0.627 137 G HN 0.471 nan 8.290 nan 0.000 0.522 138 R N 0.753 121.225 120.500 -0.046 0.000 2.441 138 R HA 0.544 4.884 4.340 0.000 0.000 0.284 138 R C -0.003 176.126 176.300 -0.284 0.000 1.070 138 R CA -0.207 55.797 56.100 -0.160 0.000 1.047 138 R CB 0.664 30.898 30.300 -0.110 0.000 1.016 138 R HN 0.067 nan 8.270 nan 0.000 0.477 139 K N 2.805 122.944 120.400 -0.435 0.000 2.203 139 K HA 0.366 4.686 4.320 0.000 0.000 0.251 139 K C -1.003 175.265 176.600 -0.553 0.000 0.944 139 K CA -0.634 55.419 56.287 -0.391 0.000 0.829 139 K CB 1.689 34.047 32.500 -0.237 0.000 1.125 139 K HN 0.468 nan 8.250 nan 0.000 0.430 140 Y N 0.576 120.848 120.300 -0.047 0.000 2.457 140 Y HA 0.346 4.896 4.550 0.000 0.000 0.343 140 Y C -0.455 175.445 175.900 -0.000 0.000 0.994 140 Y CA -1.107 57.013 58.100 0.034 0.000 1.031 140 Y CB 1.870 40.386 38.460 0.093 0.000 1.246 140 Y HN 0.375 nan 8.280 nan 0.000 0.449 141 L N 5.132 126.435 121.223 0.133 0.000 2.275 141 L HA 0.737 5.077 4.340 0.000 0.000 0.288 141 L C -0.682 176.205 176.870 0.028 0.000 1.046 141 L CA -0.635 54.227 54.840 0.038 0.000 0.805 141 L CB 0.820 42.879 42.059 -0.001 0.000 1.193 141 L HN 0.468 nan 8.230 nan 0.000 0.426 142 V N 3.554 123.452 119.914 -0.026 0.000 2.581 142 V HA 0.762 4.882 4.120 0.000 0.000 0.303 142 V C -0.543 175.519 176.094 -0.054 0.000 1.041 142 V CA -0.623 61.643 62.300 -0.056 0.000 0.907 142 V CB 1.480 33.230 31.823 -0.121 0.000 0.994 142 V HN 0.949 nan 8.190 nan 0.000 0.442 143 N N 2.825 121.508 118.700 -0.029 0.000 2.853 143 N HA 0.526 5.266 4.740 0.000 0.000 0.258 143 N C -0.827 174.672 175.510 -0.019 0.000 1.444 143 N CA -0.924 52.107 53.050 -0.032 0.000 0.837 143 N CB 2.166 40.632 38.487 -0.034 0.000 1.489 143 N HN 0.827 nan 8.380 nan 0.000 0.529 144 M N -0.727 118.820 119.600 -0.088 0.000 2.255 144 M HA 0.450 4.930 4.480 0.000 0.000 0.336 144 M C -1.139 175.132 176.300 -0.049 0.000 1.135 144 M CA -0.153 55.093 55.300 -0.090 0.000 1.145 144 M CB 0.260 32.705 32.600 -0.259 0.000 1.473 144 M HN 0.532 nan 8.290 nan 0.000 0.462 145 Y N 2.766 123.020 120.300 -0.076 0.000 2.335 145 Y HA 0.424 4.974 4.550 0.000 0.000 0.338 145 Y C -1.527 174.358 175.900 -0.024 0.000 0.977 145 Y CA -0.580 57.512 58.100 -0.013 0.000 1.114 145 Y CB 0.996 39.510 38.460 0.090 0.000 1.182 145 Y HN 0.826 nan 8.280 nan 0.000 0.463 146 W N 7.929 128.958 121.300 -0.451 0.000 2.361 146 W HA 0.251 4.911 4.660 0.000 0.000 0.309 146 W C -1.146 175.207 176.519 -0.276 0.000 1.122 146 W CA -0.482 56.650 57.345 -0.356 0.000 1.208 146 W CB 1.337 30.610 29.460 -0.313 0.000 1.246 146 W HN 0.563 nan 8.180 nan 0.000 0.490 147 D N 5.077 125.032 120.400 -0.741 0.000 2.427 147 D HA 0.009 4.649 4.640 0.000 0.000 0.226 147 D C 1.375 177.164 176.300 -0.851 0.000 1.076 147 D CA -0.113 53.522 54.000 -0.609 0.000 0.849 147 D CB 0.626 41.224 40.800 -0.337 0.000 1.052 147 D HN 0.548 nan 8.370 nan 0.000 0.515 148 H N 2.607 121.352 119.070 -0.541 0.000 2.548 148 H HA 0.147 4.703 4.556 0.000 0.000 0.268 148 H C -0.037 174.986 175.328 -0.507 0.000 0.975 148 H CA -0.075 55.639 56.048 -0.556 0.000 1.195 148 H CB 0.216 29.532 29.762 -0.744 0.000 1.397 148 H HN 0.125 nan 8.280 nan 0.000 0.572 149 R N 0.848 120.762 120.500 -0.977 0.000 2.590 149 R HA 0.076 4.416 4.340 0.000 0.000 0.274 149 R C 1.372 177.516 176.300 -0.260 0.000 1.061 149 R CA 0.048 55.746 56.100 -0.669 0.000 1.081 149 R CB 1.144 30.926 30.300 -0.862 0.000 0.984 149 R HN -0.054 nan 8.270 nan 0.000 0.448 150 V N 1.956 121.797 119.914 -0.122 0.000 2.332 150 V HA -0.247 3.874 4.120 0.000 0.000 0.248 150 V C 1.162 177.286 176.094 0.050 0.000 1.055 150 V CA 2.329 64.613 62.300 -0.027 0.000 1.038 150 V CB -0.476 31.348 31.823 0.000 0.000 0.651 150 V HN 0.897 nan 8.190 nan 0.000 0.450 151 D N -1.809 118.686 120.400 0.158 0.000 2.332 151 D HA 0.001 4.641 4.640 0.000 0.000 0.244 151 D C 0.253 176.555 176.300 0.004 0.000 1.136 151 D CA 0.147 54.214 54.000 0.111 0.000 0.884 151 D CB -0.504 40.333 40.800 0.062 0.000 0.906 151 D HN 0.543 nan 8.370 nan 0.000 0.520 152 H N -1.324 117.700 119.070 -0.077 0.000 2.717 152 H HA 0.321 4.877 4.556 0.000 0.000 0.366 152 H C -0.988 174.309 175.328 -0.052 0.000 1.132 152 H CA -1.012 55.000 56.048 -0.061 0.000 1.180 152 H CB 0.976 30.674 29.762 -0.107 0.000 1.678 152 H HN -0.023 nan 8.280 nan 0.000 0.537 153 H N 4.030 123.106 119.070 0.010 0.000 2.929 153 H HA 0.096 4.652 4.556 0.000 0.000 0.317 153 H C -1.686 173.605 175.328 -0.061 0.000 1.031 153 H CA -1.782 54.260 56.048 -0.011 0.000 1.466 153 H CB 0.958 30.716 29.762 -0.005 0.000 1.482 153 H HN 0.441 nan 8.280 nan 0.000 0.561 154 P HA -0.116 nan 4.420 nan 0.000 0.220 154 P C -0.329 176.457 177.300 -0.856 0.000 1.148 154 P CA 1.131 63.611 63.100 -1.034 0.000 0.803 154 P CB 0.120 30.886 31.700 -1.557 0.000 0.782 155 F N -1.088 118.415 119.950 -0.744 0.000 2.515 155 F HA 0.155 4.682 4.527 0.000 0.000 0.353 155 F C 1.451 177.265 175.800 0.023 0.000 1.213 155 F CA -0.644 57.220 58.000 -0.226 0.000 1.194 155 F CB -0.292 38.677 39.000 -0.052 0.000 1.488 155 F HN -0.128 nan 8.300 nan 0.000 0.619 156 Y N 2.046 122.350 120.300 0.007 0.000 2.616 156 Y HA 0.260 4.811 4.550 0.000 0.000 0.296 156 Y C 1.261 177.197 175.900 0.061 0.000 1.154 156 Y CA 0.741 58.878 58.100 0.062 0.000 1.325 156 Y CB -0.281 38.259 38.460 0.133 0.000 1.007 156 Y HN 0.576 nan 8.280 nan 0.000 0.542 157 G N -0.152 108.736 108.800 0.147 0.000 2.331 157 G HA2 -0.054 3.906 3.960 0.000 0.000 0.479 157 G HA3 -0.054 3.906 3.960 0.000 0.000 0.479 157 G C -1.640 173.333 174.900 0.122 0.000 1.262 157 G CA -0.560 44.571 45.100 0.052 0.000 1.029 157 G HN -0.050 nan 8.290 nan 0.000 0.487 158 I N 0.934 121.561 120.570 0.095 0.000 2.312 158 I HA 0.538 4.708 4.170 0.000 0.000 0.290 158 I C 0.691 176.836 176.117 0.047 0.000 1.008 158 I CA -0.847 60.501 61.300 0.079 0.000 1.226 158 I CB 0.626 38.665 38.000 0.066 0.000 1.371 158 I HN 0.501 nan 8.210 nan 0.000 0.468 159 V N 8.250 128.200 119.914 0.060 0.000 2.539 159 V HA 0.554 4.674 4.120 0.000 0.000 0.292 159 V C -0.539 175.564 176.094 0.016 0.000 1.045 159 V CA -0.560 61.765 62.300 0.042 0.000 0.945 159 V CB 2.355 34.251 31.823 0.122 0.000 0.993 159 V HN 0.640 nan 8.190 nan 0.000 0.464 160 L N 5.491 126.715 121.223 0.002 0.000 2.381 160 L HA 0.710 5.050 4.340 0.000 0.000 0.268 160 L C -0.828 176.084 176.870 0.071 0.000 0.997 160 L CA -0.144 54.680 54.840 -0.027 0.000 0.818 160 L CB 1.847 43.777 42.059 -0.215 0.000 1.310 160 L HN 0.811 nan 8.230 nan 0.000 0.416 161 Q N 2.587 122.465 119.800 0.130 0.000 2.386 161 Q HA 0.244 4.584 4.340 0.000 0.000 0.274 161 Q C -1.624 174.522 176.000 0.242 0.000 1.011 161 Q CA -0.688 55.234 55.803 0.198 0.000 0.867 161 Q CB 2.200 31.024 28.738 0.143 0.000 1.409 161 Q HN 0.713 nan 8.270 nan 0.000 0.395 162 E N 2.032 122.374 120.200 0.235 0.000 2.344 162 E HA 0.038 4.388 4.350 0.000 0.000 0.270 162 E C -1.547 175.054 176.600 0.002 0.000 1.021 162 E CA -0.064 56.327 56.400 -0.014 0.000 0.887 162 E CB 0.620 30.261 29.700 -0.097 0.000 0.997 162 E HN 0.442 nan 8.360 nan 0.000 0.429 163 Y N 3.309 123.497 120.300 -0.187 0.000 2.328 163 Y HA 0.198 4.748 4.550 0.000 0.000 0.337 163 Y C -0.420 175.411 175.900 -0.115 0.000 1.008 163 Y CA -0.606 57.428 58.100 -0.109 0.000 1.129 163 Y CB 1.464 39.875 38.460 -0.081 0.000 1.185 163 Y HN 0.333 nan 8.280 nan 0.000 0.476 164 S N 5.665 120.954 115.700 -0.686 0.000 2.399 164 S HA 0.247 4.717 4.470 0.000 0.000 0.301 164 S C 0.715 174.852 174.600 -0.772 0.000 1.093 164 S CA -0.615 57.259 58.200 -0.544 0.000 1.077 164 S CB 0.276 63.294 63.200 -0.302 0.000 0.980 164 S HN 0.734 nan 8.310 nan 0.000 0.494 165 V N 5.184 124.839 119.914 -0.432 0.000 2.287 165 V HA -0.159 3.961 4.120 0.000 0.000 0.248 165 V C 2.504 178.556 176.094 -0.071 0.000 1.053 165 V CA 2.416 64.654 62.300 -0.103 0.000 1.027 165 V CB -0.910 31.015 31.823 0.171 0.000 0.646 165 V HN 0.939 nan 8.190 nan 0.000 0.447 166 E N 0.245 120.395 120.200 -0.082 0.000 2.049 166 E HA -0.282 4.068 4.350 0.000 0.000 0.198 166 E C 2.222 178.786 176.600 -0.060 0.000 1.007 166 E CA 1.970 58.340 56.400 -0.050 0.000 0.809 166 E CB -0.207 29.464 29.700 -0.048 0.000 0.749 166 E HN 0.678 nan 8.360 nan 0.000 0.450 167 Q N -0.339 119.395 119.800 -0.110 0.000 2.432 167 Q HA 0.019 4.359 4.340 0.000 0.000 0.205 167 Q C -0.054 175.905 176.000 -0.067 0.000 0.945 167 Q CA 0.492 56.247 55.803 -0.081 0.000 0.924 167 Q CB 0.246 28.931 28.738 -0.087 0.000 1.016 167 Q HN 0.166 nan 8.270 nan 0.000 0.503 168 K N 1.303 121.625 120.400 -0.130 0.000 3.150 168 K HA -0.216 4.104 4.320 0.000 0.000 0.267 168 K C -0.813 175.847 176.600 0.100 0.000 1.028 168 K CA 0.936 57.230 56.287 0.011 0.000 0.753 168 K CB -1.383 31.192 32.500 0.125 0.000 1.288 168 K HN 0.345 nan 8.250 nan 0.000 0.473 169 K N -1.147 119.212 120.400 -0.068 0.000 2.597 169 K HA 0.388 4.708 4.320 0.000 0.000 0.282 169 K C -0.779 175.849 176.600 0.046 0.000 0.975 169 K CA -1.212 55.135 56.287 0.099 0.000 0.867 169 K CB 1.053 33.595 32.500 0.069 0.000 1.465 169 K HN -0.027 nan 8.250 nan 0.000 0.417 170 L N 2.046 123.366 121.223 0.162 0.000 2.456 170 L HA 0.272 4.612 4.340 0.000 0.000 0.272 170 L C 0.402 177.302 176.870 0.050 0.000 1.189 170 L CA -0.445 54.468 54.840 0.121 0.000 0.846 170 L CB 0.795 42.919 42.059 0.107 0.000 1.111 170 L HN 0.584 nan 8.230 nan 0.000 0.475 171 V N -0.236 119.698 119.914 0.034 0.000 3.155 171 V HA 1.004 5.124 4.120 0.000 0.000 0.313 171 V C 0.460 176.587 176.094 0.055 0.000 1.162 171 V CA 0.023 62.337 62.300 0.024 0.000 1.048 171 V CB 1.010 32.823 31.823 -0.017 0.000 1.092 171 V HN 0.999 nan 8.190 nan 0.000 0.447 172 G N 0.765 109.594 108.800 0.049 0.000 2.574 172 G HA2 -0.151 3.810 3.960 0.000 0.000 0.282 172 G HA3 -0.151 3.810 3.960 0.000 0.000 0.282 172 G C -0.267 174.677 174.900 0.073 0.000 1.257 172 G CA 0.653 45.791 45.100 0.062 0.000 0.956 172 G HN 1.174 nan 8.290 nan 0.000 0.560 173 E N 1.345 121.596 120.200 0.085 0.000 2.199 173 E HA 0.510 4.860 4.350 0.000 0.000 0.269 173 E C -2.313 174.359 176.600 0.120 0.000 0.899 173 E CA -1.573 54.877 56.400 0.083 0.000 0.772 173 E CB 1.901 31.633 29.700 0.053 0.000 1.155 173 E HN 0.248 nan 8.360 nan 0.000 0.408 174 P HA 0.153 nan 4.420 nan 0.000 0.271 174 P C -0.653 176.706 177.300 0.099 0.000 1.216 174 P CA -0.025 63.146 63.100 0.118 0.000 0.771 174 P CB 0.709 32.475 31.700 0.110 0.000 0.864 175 K N 2.624 123.105 120.400 0.136 0.000 2.427 175 K HA 0.433 4.753 4.320 0.000 0.000 0.252 175 K C -0.349 176.292 176.600 0.068 0.000 0.931 175 K CA -0.861 55.504 56.287 0.129 0.000 0.793 175 K CB 2.124 34.805 32.500 0.302 0.000 1.211 175 K HN 0.340 nan 8.250 nan 0.000 0.426 176 I N 4.773 125.352 120.570 0.015 0.000 2.452 176 I HA 0.052 4.223 4.170 0.000 0.000 0.287 176 I C 1.631 177.790 176.117 0.071 0.000 1.079 176 I CA 0.275 61.578 61.300 0.004 0.000 1.387 176 I CB 0.102 38.079 38.000 -0.038 0.000 1.404 176 I HN 0.662 nan 8.210 nan 0.000 0.522 177 I N 3.286 123.907 120.570 0.084 0.000 4.057 177 I HA 0.364 4.534 4.170 0.000 0.000 0.334 177 I C -0.221 176.069 176.117 0.288 0.000 1.308 177 I CA 0.203 61.601 61.300 0.163 0.000 1.125 177 I CB 0.618 38.669 38.000 0.084 0.000 1.034 177 I HN 0.313 nan 8.210 nan 0.000 0.401 178 F N 1.651 121.590 119.950 -0.019 0.000 2.656 178 F HA 0.376 4.903 4.527 0.000 0.000 0.326 178 F C -0.181 175.585 175.800 -0.056 0.000 1.109 178 F CA -0.945 57.033 58.000 -0.037 0.000 1.086 178 F CB 1.331 40.246 39.000 -0.142 0.000 1.324 178 F HN -0.256 nan 8.300 nan 0.000 0.511 179 K N 3.337 123.384 120.400 -0.589 0.000 2.361 179 K HA 0.486 4.806 4.320 0.000 0.000 0.194 179 K C 0.810 177.031 176.600 -0.632 0.000 1.032 179 K CA 0.665 56.659 56.287 -0.487 0.000 1.048 179 K CB 0.178 32.452 32.500 -0.377 0.000 0.842 179 K HN 1.027 nan 8.250 nan 0.000 0.526 180 G N 1.294 109.266 108.800 -1.381 0.000 2.685 180 G HA2 -0.252 3.708 3.960 0.000 0.000 0.387 180 G HA3 -0.252 3.708 3.960 0.000 0.000 0.387 180 G C -0.052 174.507 174.900 -0.568 0.000 1.324 180 G CA -0.306 44.236 45.100 -0.932 0.000 0.878 180 G HN 0.207 nan 8.290 nan 0.000 0.527 181 T N -2.937 111.479 114.554 -0.229 0.000 2.893 181 T HA 0.571 4.921 4.350 0.000 0.000 0.279 181 T C 1.411 176.009 174.700 -0.170 0.000 0.991 181 T CA 0.835 62.847 62.100 -0.147 0.000 0.950 181 T CB 1.386 70.219 68.868 -0.060 0.000 1.223 181 T HN 1.167 nan 8.240 nan 0.000 0.585 182 D N -0.034 120.273 120.400 -0.154 0.000 2.309 182 D HA -0.095 4.545 4.640 0.000 0.000 0.212 182 D C 1.887 178.069 176.300 -0.197 0.000 0.968 182 D CA 0.657 54.552 54.000 -0.174 0.000 0.882 182 D CB -0.683 40.027 40.800 -0.151 0.000 0.918 182 D HN 0.504 nan 8.370 nan 0.000 0.503 183 L N -0.621 120.495 121.223 -0.178 0.000 2.079 183 L HA -0.155 4.185 4.340 0.000 0.000 0.210 183 L C 1.272 178.021 176.870 -0.202 0.000 1.081 183 L CA 0.855 55.582 54.840 -0.188 0.000 0.752 183 L CB -0.275 41.697 42.059 -0.145 0.000 0.896 183 L HN 0.018 nan 8.230 nan 0.000 0.433 184 R N -1.384 118.999 120.500 -0.195 0.000 3.819 184 R HA -0.257 4.083 4.340 0.000 0.000 0.488 184 R C 0.807 177.036 176.300 -0.117 0.000 0.241 184 R CA 1.198 57.178 56.100 -0.200 0.000 1.530 184 R CB -1.397 28.592 30.300 -0.518 0.000 1.019 184 R HN 0.328 nan 8.270 nan 0.000 0.557 185 I N -0.786 119.773 120.570 -0.017 0.000 6.532 185 I HA -0.260 3.910 4.170 0.000 0.000 0.126 185 I C 0.031 175.930 176.117 -0.363 0.000 1.811 185 I CA 1.261 62.198 61.300 -0.606 0.000 2.115 185 I CB -2.014 35.667 38.000 -0.532 0.000 3.474 185 I HN 0.468 nan 8.210 nan 0.000 0.192 186 T N 1.792 116.385 114.554 0.066 0.000 2.752 186 T HA 0.508 4.858 4.350 0.000 0.000 0.295 186 T C 0.797 175.723 174.700 0.376 0.000 0.923 186 T CA 0.345 62.561 62.100 0.193 0.000 1.112 186 T CB 1.421 70.378 68.868 0.148 0.000 0.884 186 T HN 0.673 nan 8.240 nan 0.000 0.525 187 G N 0.911 109.881 108.800 0.284 0.000 2.976 187 G HA2 0.583 4.544 3.960 0.000 0.000 0.276 187 G HA3 0.583 4.544 3.960 0.000 0.000 0.276 187 G C 0.562 175.500 174.900 0.063 0.000 1.207 187 G CA -0.141 45.122 45.100 0.273 0.000 0.803 187 G HN 1.027 nan 8.290 nan 0.000 0.572 188 G N 0.862 109.669 108.800 0.013 0.000 2.422 188 G HA2 -0.164 3.796 3.960 0.000 0.000 0.301 188 G HA3 -0.164 3.796 3.960 0.000 0.000 0.301 188 G C -1.729 172.881 174.900 -0.483 0.000 0.981 188 G CA 0.437 45.298 45.100 -0.398 0.000 0.994 188 G HN 0.578 nan 8.290 nan 0.000 0.514 189 P HA 0.255 nan 4.420 nan 0.000 0.276 189 P C -0.367 176.601 177.300 -0.552 0.000 1.235 189 P CA 0.314 63.209 63.100 -0.343 0.000 0.772 189 P CB 0.959 32.535 31.700 -0.207 0.000 0.871 190 H N 2.189 121.181 119.070 -0.130 0.000 2.679 190 H HA 0.420 4.977 4.556 0.000 0.000 0.360 190 H C -0.170 174.910 175.328 -0.414 0.000 1.105 190 H CA -0.674 55.227 56.048 -0.245 0.000 1.196 190 H CB 1.643 31.356 29.762 -0.083 0.000 1.636 190 H HN 0.314 nan 8.280 nan 0.000 0.531 191 L N 3.119 124.057 121.223 -0.474 0.000 2.322 191 L HA 0.407 4.748 4.340 0.000 0.000 0.279 191 L C -1.005 175.417 176.870 -0.746 0.000 1.036 191 L CA -0.731 53.734 54.840 -0.625 0.000 0.807 191 L CB 0.877 42.357 42.059 -0.964 0.000 1.226 191 L HN 0.494 nan 8.230 nan 0.000 0.433 192 Y N 1.350 121.672 120.300 0.035 0.000 2.396 192 Y HA 0.324 4.874 4.550 0.000 0.000 0.332 192 Y C -0.360 175.728 175.900 0.314 0.000 1.034 192 Y CA -1.140 57.133 58.100 0.288 0.000 1.057 192 Y CB 1.682 40.360 38.460 0.363 0.000 1.220 192 Y HN 0.305 nan 8.280 nan 0.000 0.440 193 K N 4.229 124.946 120.400 0.529 0.000 2.250 193 K HA 0.583 4.904 4.320 0.000 0.000 0.280 193 K C -1.568 175.223 176.600 0.318 0.000 1.098 193 K CA 0.157 56.630 56.287 0.310 0.000 0.916 193 K CB -0.247 32.431 32.500 0.297 0.000 1.209 193 K HN 0.672 nan 8.250 nan 0.000 0.461 194 I N 4.648 125.415 120.570 0.329 0.000 2.466 194 I HA 0.320 4.490 4.170 0.000 0.000 0.289 194 I C 0.029 176.261 176.117 0.193 0.000 1.026 194 I CA -0.923 60.516 61.300 0.231 0.000 1.078 194 I CB 1.639 39.689 38.000 0.083 0.000 1.249 194 I HN 0.717 nan 8.210 nan 0.000 0.429 195 N N 3.643 122.373 118.700 0.051 0.000 1.191 195 N HA -0.211 4.529 4.740 0.000 0.000 0.120 195 N C 1.026 176.508 175.510 -0.047 0.000 0.826 195 N CA 1.617 54.674 53.050 0.012 0.000 0.876 195 N CB -0.943 37.581 38.487 0.061 0.000 1.050 195 N HN 0.942 nan 8.380 nan 0.000 0.603 196 G N -0.983 107.720 108.800 -0.163 0.000 3.181 196 G HA2 0.319 4.279 3.960 0.000 0.000 0.219 196 G HA3 0.319 4.279 3.960 0.000 0.000 0.219 196 G C -0.566 174.030 174.900 -0.506 0.000 1.182 196 G CA 0.349 45.235 45.100 -0.356 0.000 0.791 196 G HN 0.370 nan 8.290 nan 0.000 0.537 197 Y N -1.044 119.134 120.300 -0.203 0.000 2.446 197 Y HA 0.514 5.064 4.550 0.000 0.000 0.345 197 Y C -0.720 175.005 175.900 -0.292 0.000 0.984 197 Y CA -1.592 56.326 58.100 -0.304 0.000 1.058 197 Y CB 1.473 39.620 38.460 -0.521 0.000 1.220 197 Y HN 0.045 nan 8.280 nan 0.000 0.455 198 Y N 2.064 122.396 120.300 0.054 0.000 2.350 198 Y HA 0.293 4.843 4.550 0.000 0.000 0.340 198 Y C -0.851 175.090 175.900 0.069 0.000 1.006 198 Y CA -0.632 57.516 58.100 0.081 0.000 1.166 198 Y CB 0.186 38.660 38.460 0.022 0.000 1.168 198 Y HN 0.443 nan 8.280 nan 0.000 0.502 199 Y N 3.733 124.215 120.300 0.305 0.000 2.326 199 Y HA 0.382 4.932 4.550 0.000 0.000 0.337 199 Y C -0.462 175.538 175.900 0.166 0.000 1.023 199 Y CA -0.884 57.368 58.100 0.253 0.000 1.143 199 Y CB 1.200 39.816 38.460 0.259 0.000 1.183 199 Y HN 0.452 nan 8.280 nan 0.000 0.485 200 L N 5.947 127.220 121.223 0.085 0.000 2.277 200 L HA 0.478 4.818 4.340 0.000 0.000 0.284 200 L C -1.399 175.389 176.870 -0.136 0.000 1.028 200 L CA -0.703 53.984 54.840 -0.254 0.000 0.835 200 L CB 0.529 42.016 42.059 -0.954 0.000 1.215 200 L HN 0.584 nan 8.230 nan 0.000 0.425 201 L N 5.568 126.824 121.223 0.055 0.000 2.305 201 L HA 0.721 5.061 4.340 0.000 0.000 0.281 201 L C 0.056 176.906 176.870 -0.034 0.000 1.085 201 L CA 0.478 55.375 54.840 0.094 0.000 0.813 201 L CB 1.221 43.481 42.059 0.334 0.000 1.157 201 L HN 0.842 nan 8.230 nan 0.000 0.436 202 T N 2.236 116.761 114.554 -0.047 0.000 2.901 202 T HA 0.894 5.244 4.350 0.000 0.000 0.293 202 T C -0.441 174.231 174.700 -0.046 0.000 1.084 202 T CA -0.541 61.528 62.100 -0.051 0.000 1.008 202 T CB 1.481 70.382 68.868 0.056 0.000 1.170 202 T HN 0.852 nan 8.240 nan 0.000 0.509 203 A N 1.182 123.962 122.820 -0.067 0.000 2.301 203 A HA 0.748 5.068 4.320 0.000 0.000 0.312 203 A C -0.070 177.559 177.584 0.074 0.000 1.182 203 A CA -0.636 51.393 52.037 -0.014 0.000 0.826 203 A CB 0.405 19.420 19.000 0.026 0.000 1.134 203 A HN 0.877 nan 8.150 nan 0.000 0.501 204 E N 0.073 120.313 120.200 0.067 0.000 2.433 204 E HA 0.559 4.909 4.350 0.000 0.000 0.273 204 E C 0.493 177.139 176.600 0.076 0.000 0.950 204 E CA -0.471 55.957 56.400 0.047 0.000 0.796 204 E CB 1.821 31.523 29.700 0.004 0.000 1.330 204 E HN 1.404 nan 8.360 nan 0.000 0.455 205 G N 0.379 109.169 108.800 -0.017 0.000 2.184 205 G HA2 -0.163 3.797 3.960 0.000 0.000 0.264 205 G HA3 -0.163 3.797 3.960 0.000 0.000 0.264 205 G C 0.577 175.477 174.900 0.000 0.000 0.975 205 G CA 0.405 45.484 45.100 -0.037 0.000 0.642 205 G HN 1.288 nan 8.290 nan 0.000 0.536 206 G N -2.190 106.621 108.800 0.017 0.000 2.716 206 G HA2 0.214 4.174 3.960 0.000 0.000 0.686 206 G HA3 0.214 4.174 3.960 0.000 0.000 0.686 206 G C 0.402 175.170 174.900 -0.220 0.000 1.337 206 G CA 0.706 45.777 45.100 -0.048 0.000 0.829 206 G HN 1.595 nan 8.290 nan 0.000 0.599 207 T N 1.202 115.525 114.554 -0.385 0.000 3.284 207 T HA 0.156 4.506 4.350 0.000 0.000 0.252 207 T C 1.636 176.095 174.700 -0.402 0.000 1.144 207 T CA 1.596 63.216 62.100 -0.801 0.000 1.021 207 T CB -0.430 68.147 68.868 -0.485 0.000 0.984 207 T HN 0.566 nan 8.240 nan 0.000 0.545 208 R N -0.659 119.706 120.500 -0.226 0.000 2.544 208 R HA 0.272 4.612 4.340 0.000 0.000 0.205 208 R C 0.983 177.154 176.300 -0.215 0.000 1.324 208 R CA -0.501 55.458 56.100 -0.236 0.000 1.008 208 R CB -0.379 29.870 30.300 -0.086 0.000 2.138 208 R HN 0.213 nan 8.270 nan 0.000 0.514 209 Y N 0.921 121.273 120.300 0.085 0.000 2.509 209 Y HA -0.013 4.537 4.550 0.000 0.000 0.293 209 Y C 1.402 177.467 175.900 0.275 0.000 1.133 209 Y CA 1.081 59.275 58.100 0.158 0.000 1.283 209 Y CB -0.448 38.075 38.460 0.105 0.000 1.001 209 Y HN 0.498 nan 8.280 nan 0.000 0.555 210 N N -1.408 117.460 118.700 0.280 0.000 2.383 210 N HA -0.046 4.694 4.740 0.000 0.000 0.192 210 N C 0.090 175.688 175.510 0.147 0.000 1.141 210 N CA -0.110 53.018 53.050 0.129 0.000 0.851 210 N CB -0.105 38.317 38.487 -0.109 0.000 0.976 210 N HN 0.390 nan 8.380 nan 0.000 0.465 211 H N 0.922 120.041 119.070 0.082 0.000 2.948 211 H HA 0.255 4.811 4.556 0.000 0.000 0.351 211 H C -0.319 175.052 175.328 0.072 0.000 1.079 211 H CA -0.220 55.867 56.048 0.064 0.000 1.407 211 H CB 0.563 30.372 29.762 0.078 0.000 1.373 211 H HN 0.195 nan 8.280 nan 0.000 0.605 212 A N 2.577 125.367 122.820 -0.050 0.000 2.609 212 A HA 0.648 4.968 4.320 0.000 0.000 0.291 212 A C -1.538 175.926 177.584 -0.200 0.000 1.096 212 A CA -0.135 51.835 52.037 -0.111 0.000 0.684 212 A CB 1.394 20.367 19.000 -0.044 0.000 1.282 212 A HN 0.786 nan 8.150 nan 0.000 0.412 213 A N 0.675 123.402 122.820 -0.154 0.000 2.303 213 A HA 0.752 5.072 4.320 0.000 0.000 0.320 213 A C -0.124 177.400 177.584 -0.100 0.000 1.192 213 A CA -0.301 51.667 52.037 -0.114 0.000 0.821 213 A CB 0.578 19.521 19.000 -0.094 0.000 1.188 213 A HN 0.830 nan 8.150 nan 0.000 0.492 214 T N 2.523 117.042 114.554 -0.058 0.000 2.859 214 T HA 0.619 4.969 4.350 0.000 0.000 0.281 214 T C -0.523 174.160 174.700 -0.029 0.000 1.005 214 T CA -0.061 62.012 62.100 -0.044 0.000 1.025 214 T CB 0.930 69.820 68.868 0.036 0.000 0.977 214 T HN 0.580 nan 8.240 nan 0.000 0.458 215 I N 1.793 122.353 120.570 -0.018 0.000 2.730 215 I HA 0.779 4.949 4.170 0.000 0.000 0.298 215 I C -0.890 175.314 176.117 0.145 0.000 1.089 215 I CA -0.622 60.723 61.300 0.076 0.000 1.041 215 I CB 1.481 39.584 38.000 0.173 0.000 1.235 215 I HN 0.784 nan 8.210 nan 0.000 0.423 216 A N 6.364 129.260 122.820 0.127 0.000 2.530 216 A HA 0.958 5.279 4.320 0.000 0.000 0.288 216 A C -1.333 176.415 177.584 0.272 0.000 1.172 216 A CA -0.730 51.431 52.037 0.207 0.000 0.733 216 A CB 1.898 20.794 19.000 -0.173 0.000 1.320 216 A HN 0.780 nan 8.150 nan 0.000 0.419 217 R N -0.525 120.102 120.500 0.213 0.000 2.680 217 R HA 0.822 5.162 4.340 0.000 0.000 0.269 217 R C -1.293 174.895 176.300 -0.187 0.000 1.026 217 R CA -0.208 55.778 56.100 -0.190 0.000 0.889 217 R CB 1.585 31.188 30.300 -1.162 0.000 1.241 217 R HN 0.985 nan 8.270 nan 0.000 0.463 218 S N -0.522 115.014 115.700 -0.273 0.000 2.570 218 S HA 0.292 4.762 4.470 0.000 0.000 0.270 218 S C 0.365 174.961 174.600 -0.006 0.000 1.149 218 S CA -0.072 57.945 58.200 -0.305 0.000 0.837 218 S CB 1.842 64.465 63.200 -0.963 0.000 1.124 218 S HN 0.755 nan 8.310 nan 0.000 0.465 219 T N -0.357 114.183 114.554 -0.023 0.000 3.035 219 T HA 0.202 4.552 4.350 0.000 0.000 0.259 219 T C 0.934 175.693 174.700 0.099 0.000 1.078 219 T CA 0.695 62.773 62.100 -0.037 0.000 1.132 219 T CB -0.139 68.653 68.868 -0.126 0.000 0.900 219 T HN 0.490 nan 8.240 nan 0.000 0.480 220 S N 0.744 116.443 115.700 -0.000 0.000 2.480 220 S HA 0.418 4.888 4.470 0.000 0.000 0.286 220 S C 0.911 175.387 174.600 -0.206 0.000 1.180 220 S CA -0.936 57.252 58.200 -0.019 0.000 1.075 220 S CB 1.079 64.261 63.200 -0.029 0.000 0.996 220 S HN 0.247 nan 8.310 nan 0.000 0.487 221 L N 5.681 126.640 121.223 -0.439 0.000 2.129 221 L HA -0.012 4.328 4.340 0.000 0.000 0.212 221 L C 1.036 177.639 176.870 -0.445 0.000 1.087 221 L CA 2.010 56.342 54.840 -0.846 0.000 0.757 221 L CB -0.764 40.673 42.059 -1.036 0.000 0.896 221 L HN 0.892 nan 8.230 nan 0.000 0.434 222 Y N -0.182 119.991 120.300 -0.212 0.000 2.471 222 Y HA 0.423 4.974 4.550 0.000 0.000 0.286 222 Y C 1.549 177.441 175.900 -0.015 0.000 1.188 222 Y CA 0.261 58.320 58.100 -0.070 0.000 1.286 222 Y CB -0.479 37.941 38.460 -0.067 0.000 1.072 222 Y HN 0.305 nan 8.280 nan 0.000 0.517 223 G N 0.789 109.538 108.800 -0.084 0.000 2.681 223 G HA2 -0.206 3.754 3.960 0.000 0.000 0.220 223 G HA3 -0.206 3.754 3.960 0.000 0.000 0.220 223 G C -2.672 172.168 174.900 -0.100 0.000 1.353 223 G CA -0.942 44.029 45.100 -0.216 0.000 0.872 223 G HN 0.065 nan 8.290 nan 0.000 0.557 224 P HA 0.487 nan 4.420 nan 0.000 0.277 224 P C -1.164 176.106 177.300 -0.050 0.000 1.240 224 P CA -0.180 62.946 63.100 0.043 0.000 0.798 224 P CB 0.457 32.200 31.700 0.072 0.000 0.979 225 Y N 0.213 120.586 120.300 0.123 0.000 2.341 225 Y HA 0.165 4.715 4.550 0.000 0.000 0.340 225 Y C 1.259 177.244 175.900 0.142 0.000 0.997 225 Y CA -0.359 57.783 58.100 0.070 0.000 1.149 225 Y CB 0.742 39.145 38.460 -0.096 0.000 1.171 225 Y HN 0.386 nan 8.280 nan 0.000 0.494 226 E N 1.797 122.126 120.200 0.215 0.000 2.338 226 E HA 0.386 4.736 4.350 0.000 0.000 0.272 226 E C -0.932 175.847 176.600 0.299 0.000 1.029 226 E CA -0.689 55.851 56.400 0.233 0.000 0.872 226 E CB 1.060 30.884 29.700 0.207 0.000 1.015 226 E HN 0.252 nan 8.360 nan 0.000 0.417 227 V N 3.517 123.549 119.914 0.196 0.000 2.583 227 V HA -0.050 4.070 4.120 0.000 0.000 0.287 227 V C 0.749 176.696 176.094 -0.245 0.000 1.051 227 V CA -0.546 61.806 62.300 0.086 0.000 1.010 227 V CB 0.725 32.608 31.823 0.100 0.000 0.988 227 V HN 0.739 nan 8.190 nan 0.000 0.478 228 H N 8.346 126.991 119.070 -0.708 0.000 3.223 228 H HA -0.048 4.508 4.556 0.000 0.000 0.287 228 H C -1.450 173.350 175.328 -0.879 0.000 0.910 228 H CA -0.868 54.315 56.048 -1.441 0.000 1.406 228 H CB 1.147 30.402 29.762 -0.846 0.000 1.377 228 H HN 0.421 nan 8.280 nan 0.000 0.556 229 P HA -0.086 nan 4.420 nan 0.000 0.222 229 P C 0.133 177.360 177.300 -0.121 0.000 1.147 229 P CA 1.041 63.947 63.100 -0.322 0.000 0.790 229 P CB 0.557 32.076 31.700 -0.302 0.000 0.780 230 D N -0.740 119.666 120.400 0.011 0.000 2.559 230 D HA 0.080 4.720 4.640 0.000 0.000 0.234 230 D C 0.246 176.385 176.300 -0.268 0.000 1.226 230 D CA -0.425 53.544 54.000 -0.052 0.000 0.830 230 D CB -0.662 40.185 40.800 0.077 0.000 1.028 230 D HN 0.086 nan 8.370 nan 0.000 0.492 231 N N 2.300 120.823 118.700 -0.296 0.000 2.292 231 N HA 0.002 4.742 4.740 0.000 0.000 0.242 231 N C -2.398 172.993 175.510 -0.199 0.000 1.243 231 N CA -0.315 52.539 53.050 -0.327 0.000 0.851 231 N CB 0.587 38.958 38.487 -0.193 0.000 1.093 231 N HN -0.098 nan 8.380 nan 0.000 0.450 232 P HA 0.047 nan 4.420 nan 0.000 0.275 232 P C 0.575 177.679 177.300 -0.325 0.000 1.228 232 P CA -0.446 62.530 63.100 -0.205 0.000 0.786 232 P CB 0.698 32.334 31.700 -0.107 0.000 0.927 233 L N 2.960 123.950 121.223 -0.388 0.000 2.042 233 L HA 0.035 4.376 4.340 0.000 0.000 0.210 233 L C 0.449 177.163 176.870 -0.259 0.000 1.076 233 L CA 1.994 56.573 54.840 -0.436 0.000 0.749 233 L CB -0.459 41.404 42.059 -0.327 0.000 0.893 233 L HN 0.364 nan 8.230 nan 0.000 0.432 234 L N -1.700 119.413 121.223 -0.183 0.000 2.513 234 L HA 0.605 4.945 4.340 0.000 0.000 0.261 234 L C -0.956 175.864 176.870 -0.082 0.000 0.945 234 L CA 0.244 55.000 54.840 -0.141 0.000 0.848 234 L CB 1.983 43.914 42.059 -0.212 0.000 1.334 234 L HN -0.035 nan 8.230 nan 0.000 0.407 235 T N 1.236 115.798 114.554 0.013 0.000 2.893 235 T HA 0.397 4.747 4.350 0.000 0.000 0.337 235 T C -0.188 174.654 174.700 0.236 0.000 1.587 235 T CA 0.126 62.287 62.100 0.101 0.000 1.066 235 T CB 1.363 70.302 68.868 0.119 0.000 1.414 235 T HN 0.568 nan 8.240 nan 0.000 0.488 236 S N 1.362 117.221 115.700 0.264 0.000 2.540 236 S HA 0.113 4.583 4.470 0.000 0.000 0.218 236 S C 1.153 175.920 174.600 0.277 0.000 0.977 236 S CA -0.367 58.038 58.200 0.342 0.000 0.918 236 S CB -0.133 63.237 63.200 0.284 0.000 0.806 236 S HN 0.738 nan 8.310 nan 0.000 0.496 237 W N 4.375 125.717 121.300 0.069 0.000 2.318 237 W HA -0.092 4.568 4.660 0.000 0.000 0.313 237 W C -1.701 174.735 176.519 -0.138 0.000 1.221 237 W CA 1.514 58.858 57.345 -0.002 0.000 1.266 237 W CB -1.093 28.359 29.460 -0.014 0.000 1.150 237 W HN 0.194 nan 8.180 nan 0.000 0.496 238 P HA -0.012 nan 4.420 nan 0.000 0.253 238 P C -1.033 175.718 177.300 -0.914 0.000 1.260 238 P CA 0.965 63.482 63.100 -0.971 0.000 0.800 238 P CB -0.418 30.791 31.700 -0.819 0.000 1.162 239 Y N 0.195 120.386 120.300 -0.182 0.000 2.638 239 Y HA 0.311 4.861 4.550 0.000 0.000 0.367 239 Y C -1.426 174.413 175.900 -0.102 0.000 1.001 239 Y CA -2.972 55.061 58.100 -0.111 0.000 1.133 239 Y CB 0.382 38.818 38.460 -0.040 0.000 1.199 239 Y HN -0.012 nan 8.280 nan 0.000 0.642 240 P HA -0.125 nan 4.420 nan 0.000 0.223 240 P C 0.715 177.998 177.300 -0.028 0.000 1.144 240 P CA 1.275 64.317 63.100 -0.097 0.000 0.783 240 P CB 0.396 31.993 31.700 -0.171 0.000 0.771 241 R N -1.635 118.872 120.500 0.013 0.000 2.334 241 R HA 0.128 4.468 4.340 0.000 0.000 0.212 241 R C 0.969 177.298 176.300 0.048 0.000 0.897 241 R CA -0.403 55.709 56.100 0.021 0.000 1.056 241 R CB -0.199 30.107 30.300 0.010 0.000 1.046 241 R HN 0.077 nan 8.270 nan 0.000 0.513 242 N N 2.567 121.317 118.700 0.082 0.000 2.454 242 N HA -0.026 4.714 4.740 0.000 0.000 0.260 242 N C -1.590 173.979 175.510 0.099 0.000 1.218 242 N CA -1.030 52.069 53.050 0.083 0.000 0.904 242 N CB 1.199 39.752 38.487 0.109 0.000 1.065 242 N HN -0.038 nan 8.380 nan 0.000 0.462 243 P HA -0.053 nan 4.420 nan 0.000 0.223 243 P C 0.057 177.449 177.300 0.154 0.000 1.151 243 P CA 0.996 64.163 63.100 0.112 0.000 0.787 243 P CB 0.393 32.152 31.700 0.099 0.000 0.788 244 L N 0.710 122.025 121.223 0.153 0.000 2.283 244 L HA 0.274 4.614 4.340 0.000 0.000 0.281 244 L C 0.658 177.654 176.870 0.210 0.000 1.033 244 L CA -0.522 54.429 54.840 0.184 0.000 0.848 244 L CB 0.850 43.018 42.059 0.182 0.000 1.226 244 L HN -0.090 nan 8.230 nan 0.000 0.429 245 Q N 2.411 122.353 119.800 0.237 0.000 2.194 245 Q HA 0.356 4.696 4.340 0.000 0.000 0.245 245 Q C 0.112 176.247 176.000 0.225 0.000 0.993 245 Q CA -0.701 55.267 55.803 0.275 0.000 0.930 245 Q CB 1.469 30.452 28.738 0.408 0.000 1.238 245 Q HN 0.366 nan 8.270 nan 0.000 0.486 246 K N -1.319 119.208 120.400 0.212 0.000 3.160 246 K HA -0.196 4.124 4.320 0.000 0.000 0.280 246 K C -0.434 176.376 176.600 0.350 0.000 1.154 246 K CA 0.607 57.019 56.287 0.207 0.000 0.822 246 K CB -2.029 30.487 32.500 0.027 0.000 1.239 246 K HN 0.658 nan 8.250 nan 0.000 0.489 247 A N 1.108 124.084 122.820 0.260 0.000 2.476 247 A HA 0.536 4.856 4.320 0.000 0.000 0.275 247 A C 0.942 178.505 177.584 -0.036 0.000 1.133 247 A CA 0.938 53.096 52.037 0.202 0.000 0.797 247 A CB 0.331 19.355 19.000 0.039 0.000 1.081 247 A HN 0.621 nan 8.150 nan 0.000 0.510 248 G N 0.500 109.230 108.800 -0.116 0.000 2.427 248 G HA2 0.449 4.409 3.960 0.000 0.000 0.306 248 G HA3 0.449 4.409 3.960 0.000 0.000 0.306 248 G C -0.342 174.485 174.900 -0.121 0.000 1.280 248 G CA -0.032 44.721 45.100 -0.578 0.000 0.837 248 G HN 1.385 nan 8.290 nan 0.000 0.482 249 H N -0.824 118.152 119.070 -0.157 0.000 2.499 249 H HA 0.030 4.586 4.556 0.000 0.000 0.321 249 H C 0.503 175.967 175.328 0.227 0.000 1.026 249 H CA 1.044 57.197 56.048 0.175 0.000 1.077 249 H CB -0.930 29.026 29.762 0.324 0.000 1.612 249 H HN 1.260 nan 8.280 nan 0.000 0.374 250 A N 2.057 125.024 122.820 0.245 0.000 2.281 250 A HA 0.796 5.116 4.320 0.000 0.000 0.329 250 A C -0.013 177.802 177.584 0.385 0.000 1.122 250 A CA 0.076 52.293 52.037 0.299 0.000 0.850 250 A CB 1.315 20.436 19.000 0.203 0.000 1.207 250 A HN 0.766 nan 8.150 nan 0.000 0.495 251 S N -0.409 115.495 115.700 0.339 0.000 2.569 251 S HA 0.751 5.221 4.470 0.000 0.000 0.280 251 S C -0.771 174.006 174.600 0.295 0.000 1.111 251 S CA -0.530 57.878 58.200 0.346 0.000 0.887 251 S CB 0.990 64.316 63.200 0.209 0.000 1.095 251 S HN 0.550 nan 8.310 nan 0.000 0.476 252 I N 1.531 122.262 120.570 0.269 0.000 2.437 252 I HA 0.611 4.782 4.170 0.000 0.000 0.298 252 I C -0.768 175.495 176.117 0.242 0.000 0.984 252 I CA -1.009 60.355 61.300 0.106 0.000 1.214 252 I CB 1.855 39.668 38.000 -0.312 0.000 1.365 252 I HN 0.497 nan 8.210 nan 0.000 0.469 253 V N 6.239 126.343 119.914 0.315 0.000 2.577 253 V HA 0.319 4.439 4.120 0.000 0.000 0.303 253 V C -0.867 175.372 176.094 0.242 0.000 1.042 253 V CA -0.354 62.146 62.300 0.333 0.000 0.872 253 V CB 1.733 33.783 31.823 0.378 0.000 0.998 253 V HN 0.733 nan 8.190 nan 0.000 0.423 254 H N 4.509 123.512 119.070 -0.112 0.000 2.597 254 H HA 0.376 4.932 4.556 0.000 0.000 0.303 254 H C 0.051 175.266 175.328 -0.187 0.000 1.057 254 H CA -0.334 55.332 56.048 -0.636 0.000 1.261 254 H CB 1.318 30.385 29.762 -1.159 0.000 1.397 254 H HN 0.721 nan 8.280 nan 0.000 0.461 255 T N 2.638 117.132 114.554 -0.099 0.000 2.860 255 T HA -0.070 4.280 4.350 0.000 0.000 0.299 255 T C 1.696 176.308 174.700 -0.147 0.000 1.045 255 T CA -0.480 61.656 62.100 0.061 0.000 1.071 255 T CB 0.401 69.316 68.868 0.078 0.000 0.985 255 T HN 0.800 nan 8.240 nan 0.000 0.537 256 H N 1.227 120.313 119.070 0.028 0.000 2.521 256 H HA -0.003 4.553 4.556 0.000 0.000 0.286 256 H C 1.532 176.820 175.328 -0.066 0.000 1.034 256 H CA 1.477 57.487 56.048 -0.064 0.000 1.278 256 H CB -0.785 28.977 29.762 -0.000 0.000 1.386 256 H HN 0.603 nan 8.280 nan 0.000 0.567 257 T N -1.914 112.328 114.554 -0.520 0.000 3.219 257 T HA 0.052 4.402 4.350 0.000 0.000 0.249 257 T C 0.235 174.854 174.700 -0.135 0.000 1.099 257 T CA 0.353 62.263 62.100 -0.317 0.000 0.988 257 T CB -0.498 68.173 68.868 -0.327 0.000 0.999 257 T HN 0.311 nan 8.240 nan 0.000 0.550 258 D N 0.902 121.204 120.400 -0.164 0.000 2.800 258 D HA -0.148 4.492 4.640 0.000 0.000 0.232 258 D C -0.428 175.935 176.300 0.105 0.000 1.137 258 D CA 0.819 54.820 54.000 0.002 0.000 0.718 258 D CB -1.292 39.565 40.800 0.095 0.000 1.084 258 D HN 0.821 nan 8.370 nan 0.000 0.432 259 E N -0.946 119.268 120.200 0.022 0.000 2.281 259 E HA 0.675 5.026 4.350 0.000 0.000 0.262 259 E C -0.460 176.108 176.600 -0.052 0.000 0.933 259 E CA -0.922 55.519 56.400 0.068 0.000 0.809 259 E CB 1.008 30.777 29.700 0.116 0.000 1.242 259 E HN 0.137 nan 8.360 nan 0.000 0.418 260 W N 1.022 122.261 121.300 -0.101 0.000 2.683 260 W HA 0.488 5.148 4.660 0.000 0.000 0.329 260 W C -1.048 175.225 176.519 -0.409 0.000 1.037 260 W CA -0.354 56.975 57.345 -0.026 0.000 1.232 260 W CB 0.891 30.450 29.460 0.166 0.000 1.390 260 W HN 0.368 nan 8.180 nan 0.000 0.465 261 F N 2.563 122.700 119.950 0.311 0.000 2.620 261 F HA 0.684 5.211 4.527 0.000 0.000 0.320 261 F C -0.803 175.115 175.800 0.196 0.000 1.069 261 F CA -1.382 56.741 58.000 0.205 0.000 0.953 261 F CB 1.640 40.720 39.000 0.134 0.000 1.322 261 F HN -0.029 nan 8.300 nan 0.000 0.479 262 L N 3.090 124.531 121.223 0.364 0.000 2.406 262 L HA 0.662 5.002 4.340 0.000 0.000 0.270 262 L C -1.013 176.040 176.870 0.306 0.000 0.982 262 L CA -0.679 54.323 54.840 0.269 0.000 0.843 262 L CB 1.416 43.573 42.059 0.163 0.000 1.225 262 L HN 0.454 nan 8.230 nan 0.000 0.412 263 V N 1.961 122.032 119.914 0.263 0.000 2.607 263 V HA 0.782 4.902 4.120 0.000 0.000 0.289 263 V C -0.407 175.839 176.094 0.254 0.000 1.053 263 V CA 0.101 62.515 62.300 0.190 0.000 0.996 263 V CB 1.000 32.867 31.823 0.072 0.000 0.995 263 V HN 1.014 nan 8.190 nan 0.000 0.476 264 H N 2.946 122.071 119.070 0.093 0.000 2.990 264 H HA 0.790 5.346 4.556 0.000 0.000 0.343 264 H C -0.763 174.629 175.328 0.106 0.000 1.270 264 H CA -1.138 54.980 56.048 0.116 0.000 1.118 264 H CB 1.391 31.203 29.762 0.084 0.000 1.861 264 H HN 0.917 nan 8.280 nan 0.000 0.544 265 L N -0.732 120.604 121.223 0.187 0.000 2.421 265 L HA 0.835 5.175 4.340 0.000 0.000 0.263 265 L C 0.035 177.028 176.870 0.205 0.000 1.122 265 L CA -0.211 54.708 54.840 0.131 0.000 0.804 265 L CB 1.568 43.751 42.059 0.207 0.000 1.150 265 L HN 0.926 nan 8.230 nan 0.000 0.457 266 T N 0.405 115.040 114.554 0.134 0.000 2.942 266 T HA 0.720 5.070 4.350 0.000 0.000 0.327 266 T C -0.630 174.157 174.700 0.145 0.000 1.360 266 T CA -0.080 62.127 62.100 0.180 0.000 1.055 266 T CB 1.123 70.097 68.868 0.176 0.000 1.261 266 T HN 1.189 nan 8.240 nan 0.000 0.485 267 G N 2.245 111.136 108.800 0.151 0.000 2.379 267 G HA2 0.624 4.584 3.960 0.000 0.000 0.327 267 G HA3 0.624 4.584 3.960 0.000 0.000 0.327 267 G C -0.916 174.119 174.900 0.224 0.000 1.145 267 G CA -0.712 44.483 45.100 0.159 0.000 0.905 267 G HN 0.713 nan 8.290 nan 0.000 0.466 268 R N 2.863 123.534 120.500 0.285 0.000 2.278 268 R HA 0.303 4.643 4.340 0.000 0.000 0.322 268 R C -2.449 174.095 176.300 0.408 0.000 1.058 268 R CA -1.373 54.945 56.100 0.363 0.000 0.991 268 R CB 1.477 32.072 30.300 0.492 0.000 1.140 268 R HN 0.332 nan 8.270 nan 0.000 0.518 269 P HA -0.064 nan 4.420 nan 0.000 0.266 269 P C -0.066 177.327 177.300 0.156 0.000 1.195 269 P CA -0.016 63.249 63.100 0.275 0.000 0.768 269 P CB 0.605 32.437 31.700 0.220 0.000 0.838 270 L N 4.623 125.950 121.223 0.173 0.000 2.503 270 L HA 0.034 4.374 4.340 0.000 0.000 0.287 270 L C -1.617 175.241 176.870 -0.019 0.000 1.252 270 L CA -1.268 53.578 54.840 0.011 0.000 0.835 270 L CB -0.748 41.404 42.059 0.156 0.000 1.099 270 L HN 0.306 nan 8.230 nan 0.000 0.516 271 P HA 0.002 nan 4.420 nan 0.000 0.264 271 P C -0.541 176.754 177.300 -0.009 0.000 1.183 271 P CA 0.430 63.498 63.100 -0.054 0.000 0.763 271 P CB 0.344 32.003 31.700 -0.069 0.000 0.807 272 R N 1.376 121.872 120.500 -0.006 0.000 2.727 272 R HA 0.126 4.466 4.340 0.000 0.000 0.410 272 R C -0.403 175.890 176.300 -0.012 0.000 1.101 272 R CA -0.305 55.795 56.100 0.001 0.000 1.045 272 R CB 0.377 30.681 30.300 0.008 0.000 1.380 272 R HN 0.554 nan 8.270 nan 0.000 0.587 273 E N 0.061 120.250 120.200 -0.017 0.000 2.384 273 E HA 0.216 4.566 4.350 0.000 0.000 0.266 273 E C 1.151 177.739 176.600 -0.020 0.000 1.012 273 E CA 0.798 57.187 56.400 -0.019 0.000 0.901 273 E CB 0.519 30.207 29.700 -0.021 0.000 0.967 273 E HN 0.371 nan 8.360 nan 0.000 0.435 274 G N 2.269 111.057 108.800 -0.019 0.000 2.184 274 G HA2 -0.345 3.615 3.960 0.000 0.000 0.264 274 G HA3 -0.345 3.615 3.960 0.000 0.000 0.264 274 G C -0.020 174.868 174.900 -0.020 0.000 0.975 274 G CA 0.101 45.189 45.100 -0.019 0.000 0.642 274 G HN 0.468 nan 8.290 nan 0.000 0.536 275 Q N 0.294 120.083 119.800 -0.019 0.000 2.235 275 Q HA 0.507 4.847 4.340 0.000 0.000 0.256 275 Q C -2.423 173.565 176.000 -0.019 0.000 0.951 275 Q CA -1.955 53.838 55.803 -0.016 0.000 0.890 275 Q CB 1.281 30.013 28.738 -0.010 0.000 1.279 275 Q HN 0.133 nan 8.270 nan 0.000 0.444 276 P HA -0.079 nan 4.420 nan 0.000 0.262 276 P C 0.143 177.420 177.300 -0.038 0.000 1.199 276 P CA -0.003 63.083 63.100 -0.024 0.000 0.763 276 P CB 0.483 32.173 31.700 -0.016 0.000 0.790 277 L N 4.590 125.783 121.223 -0.050 0.000 2.043 277 L HA -0.186 4.154 4.340 0.000 0.000 0.212 277 L C 1.490 178.298 176.870 -0.105 0.000 1.075 277 L CA 2.030 56.826 54.840 -0.072 0.000 0.752 277 L CB -0.451 41.564 42.059 -0.072 0.000 0.891 277 L HN 0.413 nan 8.230 nan 0.000 0.432 278 L N -1.878 119.288 121.223 -0.095 0.000 2.638 278 L HA 0.105 4.445 4.340 0.000 0.000 0.232 278 L C 2.103 178.920 176.870 -0.089 0.000 1.099 278 L CA 0.003 54.774 54.840 -0.114 0.000 0.883 278 L CB -0.010 41.989 42.059 -0.100 0.000 1.136 278 L HN 0.207 nan 8.230 nan 0.000 0.492 279 E N 0.735 120.904 120.200 -0.052 0.000 2.015 279 E HA -0.172 4.179 4.350 0.000 0.000 0.191 279 E C 0.423 177.025 176.600 0.003 0.000 0.991 279 E CA 1.383 57.777 56.400 -0.011 0.000 0.802 279 E CB 0.148 29.855 29.700 0.011 0.000 0.759 279 E HN 0.402 nan 8.360 nan 0.000 0.447 280 H N -1.262 117.740 119.070 -0.112 0.000 2.609 280 H HA 0.437 4.994 4.556 0.000 0.000 0.344 280 H C -0.031 175.124 175.328 -0.287 0.000 1.040 280 H CA -0.637 55.306 56.048 -0.174 0.000 1.216 280 H CB 1.050 30.731 29.762 -0.135 0.000 1.529 280 H HN -0.042 nan 8.280 nan 0.000 0.519 281 R N 2.973 123.031 120.500 -0.737 0.000 2.310 281 R HA 0.266 4.606 4.340 0.000 0.000 0.202 281 R C 0.038 175.962 176.300 -0.628 0.000 0.933 281 R CA 0.495 56.094 56.100 -0.835 0.000 1.054 281 R CB 0.598 30.091 30.300 -1.345 0.000 0.985 281 R HN 0.823 nan 8.270 nan 0.000 0.489 282 G N -0.572 108.041 108.800 -0.312 0.000 2.359 282 G HA2 -0.027 3.933 3.960 0.000 0.000 0.314 282 G HA3 -0.027 3.933 3.960 0.000 0.000 0.314 282 G C -1.946 172.968 174.900 0.024 0.000 1.364 282 G CA -1.026 44.085 45.100 0.018 0.000 0.978 282 G HN 0.048 nan 8.290 nan 0.000 0.615 283 Y N -0.918 119.587 120.300 0.340 0.000 2.361 283 Y HA 0.564 5.115 4.550 0.000 0.000 0.337 283 Y C 0.371 176.462 175.900 0.319 0.000 0.965 283 Y CA -0.727 57.578 58.100 0.342 0.000 1.091 283 Y CB 2.276 40.930 38.460 0.323 0.000 1.182 283 Y HN 0.671 nan 8.280 nan 0.000 0.450 284 C N 5.553 125.113 119.300 0.434 0.000 2.492 284 C HA 0.225 4.685 4.460 0.000 0.000 0.284 284 C C -1.232 173.950 174.990 0.319 0.000 1.082 284 C CA -1.431 57.812 59.018 0.376 0.000 1.555 284 C CB 0.194 28.108 27.740 0.290 0.000 1.798 284 C HN 0.659 nan 8.230 nan 0.000 0.413 285 P HA -0.083 nan 4.420 nan 0.000 0.221 285 P C 1.085 178.473 177.300 0.147 0.000 1.150 285 P CA 1.215 64.431 63.100 0.193 0.000 0.800 285 P CB 0.238 32.094 31.700 0.261 0.000 0.787 286 L N -1.613 119.737 121.223 0.213 0.000 2.610 286 L HA 0.139 4.479 4.340 0.000 0.000 0.232 286 L C 1.666 178.608 176.870 0.121 0.000 1.149 286 L CA 0.474 55.378 54.840 0.106 0.000 0.872 286 L CB -1.356 40.668 42.059 -0.057 0.000 0.992 286 L HN 0.110 nan 8.230 nan 0.000 0.447 287 G N 1.276 110.177 108.800 0.167 0.000 2.547 287 G HA2 -0.323 3.637 3.960 0.000 0.000 0.271 287 G HA3 -0.323 3.637 3.960 0.000 0.000 0.271 287 G C -0.044 174.959 174.900 0.172 0.000 1.209 287 G CA -0.228 44.978 45.100 0.177 0.000 0.959 287 G HN 0.383 nan 8.290 nan 0.000 0.563 288 R N 1.308 121.923 120.500 0.192 0.000 2.255 288 R HA 0.515 4.856 4.340 0.000 0.000 0.326 288 R C 0.041 176.431 176.300 0.151 0.000 0.986 288 R CA -0.354 55.844 56.100 0.162 0.000 0.847 288 R CB 1.356 31.747 30.300 0.152 0.000 1.111 288 R HN 0.633 nan 8.270 nan 0.000 0.452 289 E N 0.873 121.128 120.200 0.092 0.000 2.243 289 E HA 0.307 4.657 4.350 0.000 0.000 0.260 289 E C -0.488 176.078 176.600 -0.056 0.000 0.985 289 E CA -0.840 55.577 56.400 0.028 0.000 0.858 289 E CB 1.586 31.280 29.700 -0.011 0.000 1.210 289 E HN 0.283 nan 8.360 nan 0.000 0.411 290 T N 0.851 115.303 114.554 -0.170 0.000 2.799 290 T HA 0.586 4.936 4.350 0.000 0.000 0.286 290 T C -0.680 173.830 174.700 -0.317 0.000 0.973 290 T CA -0.498 61.444 62.100 -0.263 0.000 1.035 290 T CB 1.104 69.759 68.868 -0.356 0.000 0.932 290 T HN 0.504 nan 8.240 nan 0.000 0.469 291 A N 3.143 125.712 122.820 -0.418 0.000 2.469 291 A HA 0.895 5.215 4.320 0.000 0.000 0.299 291 A C -1.172 176.225 177.584 -0.311 0.000 1.098 291 A CA -0.798 51.007 52.037 -0.386 0.000 0.737 291 A CB 1.263 19.999 19.000 -0.440 0.000 1.312 291 A HN 0.862 nan 8.150 nan 0.000 0.414 292 I N 0.024 120.572 120.570 -0.037 0.000 2.689 292 I HA 0.532 4.702 4.170 0.000 0.000 0.299 292 I C -1.217 175.057 176.117 0.261 0.000 1.059 292 I CA -0.549 60.834 61.300 0.138 0.000 1.055 292 I CB 1.955 40.018 38.000 0.105 0.000 1.243 292 I HN 0.628 nan 8.210 nan 0.000 0.425 293 Q N 5.737 125.731 119.800 0.322 0.000 2.423 293 Q HA 0.458 4.798 4.340 0.000 0.000 0.278 293 Q C -1.108 175.072 176.000 0.301 0.000 1.097 293 Q CA -0.757 55.202 55.803 0.260 0.000 0.809 293 Q CB 2.554 31.384 28.738 0.153 0.000 1.391 293 Q HN 0.629 nan 8.270 nan 0.000 0.428 294 R N 1.285 121.903 120.500 0.197 0.000 2.459 294 R HA 0.572 4.912 4.340 0.000 0.000 0.281 294 R C -0.657 175.602 176.300 -0.068 0.000 1.050 294 R CA -0.257 55.835 56.100 -0.014 0.000 1.055 294 R CB 0.580 30.848 30.300 -0.052 0.000 1.045 294 R HN 0.523 nan 8.270 nan 0.000 0.495 295 L N 3.099 124.234 121.223 -0.147 0.000 2.334 295 L HA 0.455 4.796 4.340 0.000 0.000 0.273 295 L C -0.308 176.504 176.870 -0.095 0.000 1.013 295 L CA -0.633 54.135 54.840 -0.120 0.000 0.816 295 L CB 1.952 43.935 42.059 -0.126 0.000 1.278 295 L HN 0.753 nan 8.230 nan 0.000 0.431 296 E N 0.591 120.710 120.200 -0.135 0.000 2.369 296 E HA 0.487 4.837 4.350 0.000 0.000 0.270 296 E C -1.984 174.520 176.600 -0.159 0.000 0.909 296 E CA -0.918 55.458 56.400 -0.040 0.000 0.775 296 E CB 1.689 31.385 29.700 -0.007 0.000 1.270 296 E HN 0.313 nan 8.360 nan 0.000 0.445 297 W N 1.441 122.688 121.300 -0.087 0.000 2.411 297 W HA 0.402 5.062 4.660 0.000 0.000 0.317 297 W C -0.705 175.800 176.519 -0.024 0.000 1.030 297 W CA -0.670 56.618 57.345 -0.095 0.000 1.239 297 W CB 1.735 31.033 29.460 -0.271 0.000 1.304 297 W HN 0.140 nan 8.180 nan 0.000 0.437 298 K N 3.170 123.714 120.400 0.240 0.000 2.426 298 K HA 0.229 4.549 4.320 0.000 0.000 0.254 298 K C -0.382 176.374 176.600 0.260 0.000 0.936 298 K CA -0.752 55.625 56.287 0.150 0.000 0.801 298 K CB 1.836 34.285 32.500 -0.084 0.000 1.139 298 K HN 0.571 nan 8.250 nan 0.000 0.424 299 D N 1.608 122.116 120.400 0.180 0.000 2.708 299 D HA -0.181 4.459 4.640 0.000 0.000 0.236 299 D C 0.675 177.039 176.300 0.106 0.000 1.146 299 D CA 1.613 55.715 54.000 0.171 0.000 0.662 299 D CB -1.018 39.919 40.800 0.228 0.000 1.059 299 D HN 1.059 nan 8.370 nan 0.000 0.428 300 G N -1.142 107.713 108.800 0.092 0.000 2.179 300 G HA2 -0.286 3.675 3.960 0.000 0.000 0.257 300 G HA3 -0.286 3.675 3.960 0.000 0.000 0.257 300 G C -0.119 174.664 174.900 -0.195 0.000 1.010 300 G CA 0.556 45.642 45.100 -0.024 0.000 0.736 300 G HN 0.408 nan 8.290 nan 0.000 0.513 301 W N 0.151 121.530 121.300 0.131 0.000 2.785 301 W HA 0.572 5.232 4.660 0.000 0.000 0.333 301 W C -2.045 174.121 176.519 -0.588 0.000 1.062 301 W CA -2.568 54.629 57.345 -0.247 0.000 1.233 301 W CB 2.099 31.246 29.460 -0.521 0.000 1.413 301 W HN -0.035 nan 8.180 nan 0.000 0.489 302 P HA 0.260 nan 4.420 nan 0.000 0.281 302 P C -1.483 175.530 177.300 -0.479 0.000 1.249 302 P CA -0.084 62.240 63.100 -1.293 0.000 0.810 302 P CB 1.373 32.162 31.700 -1.518 0.000 1.008 303 Y N -0.753 119.307 120.300 -0.400 0.000 2.492 303 Y HA 0.265 4.815 4.550 0.000 0.000 0.346 303 Y C 0.125 175.906 175.900 -0.200 0.000 0.997 303 Y CA -1.223 56.764 58.100 -0.187 0.000 1.025 303 Y CB 2.167 40.565 38.460 -0.103 0.000 1.263 303 Y HN 0.009 nan 8.280 nan 0.000 0.454 304 V N 4.177 124.078 119.914 -0.022 0.000 2.508 304 V HA 0.083 4.204 4.120 0.000 0.000 0.281 304 V C -0.004 176.092 176.094 0.004 0.000 1.041 304 V CA -0.617 61.663 62.300 -0.035 0.000 1.016 304 V CB 0.660 32.442 31.823 -0.068 0.000 0.984 304 V HN 0.504 nan 8.190 nan 0.000 0.478 305 V N 5.163 125.072 119.914 -0.008 0.000 2.655 305 V HA 0.421 4.541 4.120 0.000 0.000 0.300 305 V C 1.390 177.478 176.094 -0.010 0.000 1.044 305 V CA 1.332 63.629 62.300 -0.005 0.000 1.095 305 V CB 0.325 32.146 31.823 -0.003 0.000 0.952 305 V HN 1.282 nan 8.190 nan 0.000 0.485 306 G N 2.818 111.607 108.800 -0.018 0.000 2.157 306 G HA2 0.203 4.163 3.960 0.000 0.000 0.239 306 G HA3 0.203 4.163 3.960 0.000 0.000 0.239 306 G C 0.798 175.662 174.900 -0.059 0.000 0.982 306 G CA 0.062 45.141 45.100 -0.035 0.000 0.650 306 G HN 2.369 nan 8.290 nan 0.000 0.527 307 G N -0.232 108.549 108.800 -0.033 0.000 2.549 307 G HA2 0.241 4.201 3.960 0.000 0.000 0.404 307 G HA3 0.241 4.201 3.960 0.000 0.000 0.404 307 G C 0.351 175.234 174.900 -0.027 0.000 1.292 307 G CA 0.542 45.630 45.100 -0.020 0.000 0.935 307 G HN 1.772 nan 8.290 nan 0.000 0.512 308 N N 0.526 119.234 118.700 0.013 0.000 2.398 308 N HA 0.278 5.018 4.740 0.000 0.000 0.188 308 N C 1.057 176.581 175.510 0.025 0.000 1.122 308 N CA 1.387 54.444 53.050 0.011 0.000 0.866 308 N CB -0.132 38.364 38.487 0.016 0.000 0.970 308 N HN 1.271 nan 8.380 nan 0.000 0.462 309 G N 1.006 109.724 108.800 -0.135 0.000 2.507 309 G HA2 0.400 4.360 3.960 0.000 0.000 0.271 309 G HA3 0.400 4.360 3.960 0.000 0.000 0.271 309 G C -2.673 172.111 174.900 -0.194 0.000 1.189 309 G CA -1.072 43.853 45.100 -0.292 0.000 0.859 309 G HN 0.167 nan 8.290 nan 0.000 0.542 310 P HA 0.221 nan 4.420 nan 0.000 0.280 310 P C -0.289 177.001 177.300 -0.016 0.000 1.244 310 P CA -0.267 62.809 63.100 -0.040 0.000 0.784 310 P CB 1.422 33.164 31.700 0.070 0.000 0.913 311 S N 2.474 118.183 115.700 0.014 0.000 2.565 311 S HA 0.107 4.577 4.470 0.000 0.000 0.274 311 S C 1.346 175.985 174.600 0.064 0.000 1.309 311 S CA -0.478 57.734 58.200 0.021 0.000 1.043 311 S CB 0.624 63.838 63.200 0.025 0.000 0.939 311 S HN 0.426 nan 8.310 nan 0.000 0.504 312 L N 2.335 123.589 121.223 0.052 0.000 2.056 312 L HA 0.212 4.553 4.340 0.000 0.000 0.207 312 L C 0.741 177.650 176.870 0.065 0.000 1.078 312 L CA 1.791 56.671 54.840 0.066 0.000 0.749 312 L CB -0.162 41.931 42.059 0.058 0.000 0.901 312 L HN 0.699 nan 8.230 nan 0.000 0.433 313 E N -0.503 119.731 120.200 0.057 0.000 2.266 313 E HA 0.533 4.883 4.350 0.000 0.000 0.268 313 E C -1.189 175.450 176.600 0.065 0.000 0.879 313 E CA -0.677 55.757 56.400 0.057 0.000 0.762 313 E CB 1.843 31.570 29.700 0.045 0.000 1.199 313 E HN 0.254 nan 8.360 nan 0.000 0.422 314 I N -0.988 119.630 120.570 0.079 0.000 3.174 314 I HA 0.535 4.705 4.170 0.000 0.000 0.313 314 I C -0.826 175.354 176.117 0.104 0.000 1.155 314 I CA -1.063 60.300 61.300 0.104 0.000 0.977 314 I CB 2.034 40.130 38.000 0.159 0.000 1.248 314 I HN 0.178 nan 8.210 nan 0.000 0.453 315 D N 2.656 123.134 120.400 0.130 0.000 2.308 315 D HA 0.360 5.000 4.640 0.000 0.000 0.251 315 D C 0.203 176.621 176.300 0.197 0.000 1.127 315 D CA 0.188 54.265 54.000 0.129 0.000 0.876 315 D CB 1.853 42.723 40.800 0.116 0.000 1.176 315 D HN 0.863 nan 8.370 nan 0.000 0.446 316 G N 1.993 110.849 108.800 0.093 0.000 2.580 316 G HA2 0.373 4.333 3.960 0.000 0.000 0.278 316 G HA3 0.373 4.333 3.960 0.000 0.000 0.278 316 G C -2.262 172.689 174.900 0.085 0.000 1.212 316 G CA -0.836 44.261 45.100 -0.005 0.000 0.939 316 G HN 0.270 nan 8.290 nan 0.000 0.513 317 P HA 0.113 nan 4.420 nan 0.000 0.271 317 P C 0.000 177.302 177.300 0.003 0.000 1.233 317 P CA -0.256 62.883 63.100 0.065 0.000 0.789 317 P CB 0.671 32.289 31.700 -0.136 0.000 0.951 318 S N -0.266 115.439 115.700 0.010 0.000 4.085 318 S HA 0.267 4.737 4.470 0.000 0.000 0.189 318 S C 0.596 175.176 174.600 -0.033 0.000 1.392 318 S CA -0.472 57.721 58.200 -0.011 0.000 0.972 318 S CB -1.417 61.779 63.200 -0.006 0.000 1.482 318 S HN 0.386 nan 8.310 nan 0.000 0.446 319 V N -1.844 118.047 119.914 -0.037 0.000 3.102 319 V HA 0.566 4.686 4.120 0.000 0.000 0.312 319 V C -0.457 175.612 176.094 -0.043 0.000 1.135 319 V CA -1.610 60.678 62.300 -0.020 0.000 1.022 319 V CB 1.414 33.242 31.823 0.010 0.000 1.056 319 V HN 0.311 nan 8.190 nan 0.000 0.436 320 E N 1.159 121.335 120.200 -0.039 0.000 2.384 320 E HA 0.160 4.510 4.350 0.000 0.000 0.266 320 E C -0.109 176.422 176.600 -0.114 0.000 1.012 320 E CA 0.107 56.467 56.400 -0.067 0.000 0.901 320 E CB 0.881 30.545 29.700 -0.061 0.000 0.967 320 E HN 0.837 nan 8.360 nan 0.000 0.435 321 E N 2.360 122.482 120.200 -0.130 0.000 2.415 321 E HA 0.049 4.399 4.350 0.000 0.000 0.263 321 E C -1.179 175.270 176.600 -0.252 0.000 0.995 321 E CA -0.180 56.110 56.400 -0.184 0.000 0.915 321 E CB 0.557 30.165 29.700 -0.154 0.000 0.951 321 E HN 0.133 nan 8.360 nan 0.000 0.449 322 V N 5.676 125.364 119.914 -0.377 0.000 2.327 322 V HA 0.165 4.285 4.120 0.000 0.000 0.272 322 V C -0.069 175.472 176.094 -0.921 0.000 1.019 322 V CA -0.568 61.379 62.300 -0.588 0.000 0.814 322 V CB 0.679 32.142 31.823 -0.600 0.000 1.040 322 V HN 0.755 nan 8.190 nan 0.000 0.440 323 S N 3.206 118.484 115.700 -0.703 0.000 2.652 323 S HA 0.684 5.154 4.470 0.000 0.000 0.270 323 S C -0.919 173.243 174.600 -0.731 0.000 1.243 323 S CA -0.523 57.292 58.200 -0.642 0.000 0.999 323 S CB 1.107 64.138 63.200 -0.282 0.000 0.973 323 S HN 0.534 nan 8.310 nan 0.000 0.544 324 W N 0.120 121.411 121.300 -0.015 0.000 2.666 324 W HA 0.481 5.141 4.660 0.000 0.000 0.334 324 W C 0.326 176.860 176.519 0.025 0.000 1.051 324 W CA -0.839 56.514 57.345 0.015 0.000 1.224 324 W CB 1.044 30.532 29.460 0.046 0.000 1.405 324 W HN 0.706 nan 8.180 nan 0.000 0.513 325 E N 2.633 123.001 120.200 0.281 0.000 2.392 325 E HA -0.009 4.341 4.350 0.000 0.000 0.264 325 E C 0.168 176.861 176.600 0.156 0.000 1.024 325 E CA -0.276 56.217 56.400 0.155 0.000 0.903 325 E CB 0.703 30.473 29.700 0.117 0.000 0.963 325 E HN 0.301 nan 8.360 nan 0.000 0.432 326 K N 2.519 122.967 120.400 0.081 0.000 2.511 326 K HA -0.114 4.206 4.320 0.000 0.000 0.280 326 K C 0.212 176.854 176.600 0.069 0.000 1.008 326 K CA 0.408 56.722 56.287 0.046 0.000 1.050 326 K CB 0.353 32.796 32.500 -0.096 0.000 0.889 326 K HN 0.447 nan 8.250 nan 0.000 0.484 327 D N 3.355 123.865 120.400 0.183 0.000 2.368 327 D HA -0.006 4.634 4.640 0.000 0.000 0.218 327 D C -0.531 175.928 176.300 0.265 0.000 1.112 327 D CA -0.027 54.104 54.000 0.218 0.000 0.834 327 D CB -0.248 40.746 40.800 0.323 0.000 0.953 327 D HN 0.468 nan 8.370 nan 0.000 0.505 328 Y N -1.671 118.685 120.300 0.093 0.000 2.544 328 Y HA 0.563 5.113 4.550 0.000 0.000 0.342 328 Y C -1.256 174.656 175.900 0.021 0.000 1.062 328 Y CA -1.500 56.629 58.100 0.050 0.000 1.023 328 Y CB 0.986 39.485 38.460 0.064 0.000 1.308 328 Y HN -0.376 nan 8.280 nan 0.000 0.457 329 D N 3.082 123.487 120.400 0.007 0.000 2.351 329 D HA 0.035 4.675 4.640 0.000 0.000 0.251 329 D C 0.970 177.267 176.300 -0.005 0.000 1.137 329 D CA 0.152 54.104 54.000 -0.080 0.000 0.879 329 D CB 1.781 42.570 40.800 -0.018 0.000 1.181 329 D HN 0.964 nan 8.370 nan 0.000 0.448 330 E N 2.430 122.549 120.200 -0.134 0.000 2.085 330 E HA -0.234 4.116 4.350 0.000 0.000 0.194 330 E C 0.374 177.009 176.600 0.058 0.000 0.994 330 E CA 1.039 57.452 56.400 0.022 0.000 0.801 330 E CB 0.193 29.845 29.700 -0.080 0.000 0.743 330 E HN 0.187 nan 8.360 nan 0.000 0.453 331 K N 1.418 121.798 120.400 -0.033 0.000 2.354 331 K HA 0.067 4.387 4.320 0.000 0.000 0.257 331 K C -1.269 175.304 176.600 -0.046 0.000 1.062 331 K CA -0.548 55.692 56.287 -0.079 0.000 0.971 331 K CB 0.887 33.260 32.500 -0.212 0.000 1.305 331 K HN -0.041 nan 8.250 nan 0.000 0.449 332 D N 3.375 123.782 120.400 0.011 0.000 2.365 332 D HA 0.032 4.673 4.640 0.000 0.000 0.237 332 D C -0.012 176.146 176.300 -0.236 0.000 1.190 332 D CA -0.045 53.913 54.000 -0.070 0.000 0.867 332 D CB 1.042 41.836 40.800 -0.012 0.000 1.050 332 D HN 0.520 nan 8.370 nan 0.000 0.491 333 D N 3.145 123.472 120.400 -0.121 0.000 2.328 333 D HA -0.060 4.581 4.640 0.000 0.000 0.226 333 D C 0.149 176.480 176.300 0.052 0.000 1.066 333 D CA -0.041 53.938 54.000 -0.035 0.000 0.861 333 D CB 0.017 40.820 40.800 0.005 0.000 0.912 333 D HN 0.412 nan 8.370 nan 0.000 0.521 334 F N 0.318 120.356 119.950 0.146 0.000 3.074 334 F HA -0.220 4.307 4.527 0.000 0.000 0.287 334 F C 0.948 176.790 175.800 0.069 0.000 0.932 334 F CA 0.056 58.124 58.000 0.112 0.000 0.995 334 F CB -1.915 37.148 39.000 0.105 0.000 0.966 334 F HN 0.050 nan 8.300 nan 0.000 0.721 335 D N -0.575 119.937 120.400 0.187 0.000 2.367 335 D HA 0.143 4.783 4.640 0.000 0.000 0.207 335 D C 1.760 178.129 176.300 0.116 0.000 1.034 335 D CA 0.971 55.047 54.000 0.127 0.000 0.861 335 D CB 0.127 40.975 40.800 0.080 0.000 0.943 335 D HN 0.436 nan 8.370 nan 0.000 0.515 336 G N 1.461 110.342 108.800 0.135 0.000 2.594 336 G HA2 0.054 4.014 3.960 0.000 0.000 0.243 336 G HA3 0.054 4.014 3.960 0.000 0.000 0.243 336 G C 0.832 175.797 174.900 0.107 0.000 1.229 336 G CA -0.234 44.931 45.100 0.109 0.000 0.843 336 G HN 0.017 nan 8.290 nan 0.000 0.578 337 D N -1.054 119.392 120.400 0.076 0.000 2.333 337 D HA -0.008 4.632 4.640 0.000 0.000 0.208 337 D C 0.547 176.885 176.300 0.062 0.000 0.984 337 D CA 0.567 54.605 54.000 0.063 0.000 0.873 337 D CB 0.121 40.948 40.800 0.045 0.000 0.935 337 D HN 0.184 nan 8.370 nan 0.000 0.521 338 T N 1.025 115.622 114.554 0.071 0.000 2.861 338 T HA 0.408 4.758 4.350 0.000 0.000 0.287 338 T C 0.131 174.902 174.700 0.118 0.000 1.003 338 T CA -0.727 61.416 62.100 0.073 0.000 0.977 338 T CB 2.238 71.135 68.868 0.050 0.000 0.996 338 T HN -0.012 nan 8.240 nan 0.000 0.448 339 L N 3.475 124.781 121.223 0.138 0.000 2.578 339 L HA 0.042 4.382 4.340 0.000 0.000 0.279 339 L C 1.407 178.428 176.870 0.251 0.000 1.227 339 L CA -0.112 54.874 54.840 0.243 0.000 0.900 339 L CB 0.196 42.367 42.059 0.188 0.000 1.144 339 L HN 0.659 nan 8.230 nan 0.000 0.496 340 N N 2.915 121.812 118.700 0.329 0.000 2.353 340 N HA -0.129 4.611 4.740 0.000 0.000 0.248 340 N C 1.142 176.722 175.510 0.118 0.000 1.240 340 N CA 0.141 53.275 53.050 0.139 0.000 0.862 340 N CB 0.519 39.075 38.487 0.115 0.000 1.086 340 N HN 0.734 nan 8.380 nan 0.000 0.453 341 H N 2.066 121.087 119.070 -0.083 0.000 2.561 341 H HA -0.010 4.546 4.556 0.000 0.000 0.278 341 H C 0.376 175.505 175.328 -0.332 0.000 1.014 341 H CA 0.386 56.315 56.048 -0.198 0.000 1.211 341 H CB 0.003 29.606 29.762 -0.266 0.000 1.365 341 H HN 0.585 nan 8.280 nan 0.000 0.594 342 H N 0.195 119.282 119.070 0.028 0.000 2.548 342 H HA 0.037 4.593 4.556 0.000 0.000 0.268 342 H C -0.209 174.924 175.328 -0.325 0.000 0.975 342 H CA 0.021 55.915 56.048 -0.257 0.000 1.195 342 H CB 0.019 29.511 29.762 -0.450 0.000 1.397 342 H HN 0.247 nan 8.280 nan 0.000 0.572 343 F N 1.994 121.942 119.950 -0.004 0.000 2.427 343 F HA 0.238 4.765 4.527 0.000 0.000 0.352 343 F C 0.789 176.568 175.800 -0.036 0.000 1.100 343 F CA -0.180 57.778 58.000 -0.069 0.000 1.191 343 F CB 0.863 39.825 39.000 -0.065 0.000 1.128 343 F HN -0.064 nan 8.300 nan 0.000 0.533 344 Q N 0.739 120.654 119.800 0.192 0.000 2.445 344 Q HA 0.637 4.978 4.340 0.000 0.000 0.281 344 Q C -0.523 175.610 176.000 0.223 0.000 1.101 344 Q CA -1.078 54.849 55.803 0.207 0.000 0.833 344 Q CB 2.693 31.590 28.738 0.265 0.000 1.416 344 Q HN 0.711 nan 8.270 nan 0.000 0.451 345 T N -2.491 112.230 114.554 0.277 0.000 2.916 345 T HA 0.617 4.967 4.350 0.000 0.000 0.292 345 T C -0.423 174.329 174.700 0.086 0.000 1.064 345 T CA -0.859 61.327 62.100 0.144 0.000 1.011 345 T CB 0.612 69.516 68.868 0.059 0.000 1.152 345 T HN 0.386 nan 8.240 nan 0.000 0.510 346 L N 2.659 123.775 121.223 -0.179 0.000 2.315 346 L HA 0.429 4.769 4.340 0.000 0.000 0.283 346 L C 1.392 178.127 176.870 -0.225 0.000 1.089 346 L CA -0.414 54.178 54.840 -0.413 0.000 0.833 346 L CB 0.217 41.997 42.059 -0.464 0.000 1.170 346 L HN 0.897 nan 8.230 nan 0.000 0.442 347 R N 1.290 121.692 120.500 -0.163 0.000 3.075 347 R HA -0.265 4.076 4.340 0.000 0.000 0.235 347 R C 0.116 176.304 176.300 -0.187 0.000 0.799 347 R CA 2.161 58.195 56.100 -0.110 0.000 1.783 347 R CB -1.327 28.864 30.300 -0.181 0.000 1.344 347 R HN 0.725 nan 8.270 nan 0.000 0.587 348 I N -1.561 118.814 120.570 -0.326 0.000 2.892 348 I HA 0.646 4.816 4.170 0.000 0.000 0.306 348 I C -2.659 173.004 176.117 -0.756 0.000 1.078 348 I CA -2.900 58.014 61.300 -0.643 0.000 1.032 348 I CB 2.404 40.190 38.000 -0.356 0.000 1.229 348 I HN -0.244 nan 8.210 nan 0.000 0.435 349 P HA 0.254 nan 4.420 nan 0.000 0.275 349 P C -1.098 176.087 177.300 -0.192 0.000 1.228 349 P CA -0.101 62.769 63.100 -0.384 0.000 0.786 349 P CB 1.074 32.633 31.700 -0.234 0.000 0.927 350 L N 2.457 123.635 121.223 -0.075 0.000 2.262 350 L HA 0.431 4.772 4.340 0.000 0.000 0.288 350 L C 1.382 178.230 176.870 -0.036 0.000 1.035 350 L CA -0.534 54.269 54.840 -0.062 0.000 0.820 350 L CB 1.040 43.068 42.059 -0.052 0.000 1.204 350 L HN 0.454 nan 8.230 nan 0.000 0.424 351 G N 1.441 110.214 108.800 -0.044 0.000 2.653 351 G HA2 0.085 4.045 3.960 0.000 0.000 0.265 351 G HA3 0.085 4.045 3.960 0.000 0.000 0.265 351 G C 0.680 175.568 174.900 -0.020 0.000 1.237 351 G CA -0.373 44.708 45.100 -0.032 0.000 0.946 351 G HN 0.665 nan 8.290 nan 0.000 0.522 352 E N 0.318 120.507 120.200 -0.017 0.000 2.267 352 E HA -0.148 4.202 4.350 0.000 0.000 0.197 352 E C 1.922 178.515 176.600 -0.012 0.000 0.998 352 E CA 1.296 57.696 56.400 -0.001 0.000 0.830 352 E CB 0.007 29.701 29.700 -0.009 0.000 0.751 352 E HN 0.683 nan 8.360 nan 0.000 0.491 353 D N -0.286 120.064 120.400 -0.084 0.000 2.348 353 D HA -0.090 4.550 4.640 0.000 0.000 0.216 353 D C 1.684 177.879 176.300 -0.175 0.000 0.970 353 D CA 0.513 54.380 54.000 -0.221 0.000 0.889 353 D CB -0.111 40.574 40.800 -0.191 0.000 0.912 353 D HN 0.289 nan 8.370 nan 0.000 0.524 354 I N -0.534 120.060 120.570 0.040 0.000 3.873 354 I HA 0.267 4.437 4.170 0.000 0.000 0.284 354 I C 0.575 176.811 176.117 0.198 0.000 1.186 354 I CA 0.051 61.441 61.300 0.150 0.000 1.362 354 I CB 0.474 38.490 38.000 0.026 0.000 1.432 354 I HN -0.028 nan 8.210 nan 0.000 0.454 355 A N 0.498 123.367 122.820 0.081 0.000 2.335 355 A HA 0.731 5.051 4.320 0.000 0.000 0.304 355 A C -0.526 177.058 177.584 -0.000 0.000 1.118 355 A CA -0.255 51.778 52.037 -0.006 0.000 0.757 355 A CB 1.259 20.213 19.000 -0.077 0.000 1.188 355 A HN 0.054 nan 8.150 nan 0.000 0.460 356 T N 2.185 116.719 114.554 -0.033 0.000 2.993 356 T HA 0.493 4.843 4.350 0.000 0.000 0.312 356 T C -0.080 174.580 174.700 -0.066 0.000 1.115 356 T CA -0.385 61.703 62.100 -0.020 0.000 1.027 356 T CB 0.637 69.535 68.868 0.051 0.000 1.116 356 T HN 0.447 nan 8.240 nan 0.000 0.464 357 L N 3.736 124.938 121.223 -0.036 0.000 2.607 357 L HA 0.397 4.737 4.340 0.000 0.000 0.228 357 L C 2.154 179.040 176.870 0.027 0.000 1.123 357 L CA 0.082 54.915 54.840 -0.012 0.000 0.890 357 L CB 0.061 42.132 42.059 0.021 0.000 1.103 357 L HN 0.560 nan 8.230 nan 0.000 0.468 358 K N -0.205 120.205 120.400 0.016 0.000 2.313 358 K HA 0.210 4.530 4.320 0.000 0.000 0.197 358 K C 2.162 178.772 176.600 0.017 0.000 1.061 358 K CA 0.722 57.024 56.287 0.025 0.000 0.980 358 K CB 0.300 32.812 32.500 0.020 0.000 0.888 358 K HN 0.171 nan 8.250 nan 0.000 0.502 359 A N 1.865 124.682 122.820 -0.005 0.000 1.902 359 A HA -0.128 4.192 4.320 0.000 0.000 0.217 359 A C 1.311 178.876 177.584 -0.032 0.000 1.181 359 A CA 1.171 53.189 52.037 -0.031 0.000 0.623 359 A CB -0.103 18.846 19.000 -0.085 0.000 0.818 359 A HN 0.171 nan 8.150 nan 0.000 0.443 360 R N -0.168 120.323 120.500 -0.014 0.000 2.545 360 R HA 0.342 4.682 4.340 0.000 0.000 0.289 360 R C -3.212 173.189 176.300 0.168 0.000 1.327 360 R CA -2.041 54.078 56.100 0.032 0.000 1.040 360 R CB 1.220 31.476 30.300 -0.073 0.000 1.176 360 R HN 0.039 nan 8.270 nan 0.000 0.518 361 P HA 0.022 nan 4.420 nan 0.000 0.264 361 P C 0.449 177.901 177.300 0.252 0.000 1.183 361 P CA 1.364 64.567 63.100 0.171 0.000 0.763 361 P CB 0.816 32.590 31.700 0.124 0.000 0.807 362 G N 1.093 109.995 108.800 0.170 0.000 2.179 362 G HA2 -0.205 3.755 3.960 0.000 0.000 0.260 362 G HA3 -0.205 3.755 3.960 0.000 0.000 0.260 362 G C -0.161 174.680 174.900 -0.097 0.000 0.977 362 G CA -0.062 45.073 45.100 0.058 0.000 0.641 362 G HN 0.700 nan 8.290 nan 0.000 0.533 363 H N -1.662 117.521 119.070 0.188 0.000 2.851 363 H HA 0.646 5.202 4.556 0.000 0.000 0.372 363 H C -0.545 174.734 175.328 -0.080 0.000 1.158 363 H CA -0.887 55.252 56.048 0.151 0.000 1.159 363 H CB 1.752 31.586 29.762 0.119 0.000 1.757 363 H HN 0.249 nan 8.280 nan 0.000 0.546 364 L N 2.193 123.259 121.223 -0.262 0.000 2.260 364 L HA 0.365 4.705 4.340 0.000 0.000 0.289 364 L C -0.012 176.782 176.870 -0.127 0.000 1.057 364 L CA -0.177 54.370 54.840 -0.490 0.000 0.811 364 L CB 0.284 41.611 42.059 -1.220 0.000 1.184 364 L HN 0.590 nan 8.230 nan 0.000 0.429 365 R N 4.750 125.159 120.500 -0.152 0.000 2.229 365 R HA 0.520 4.861 4.340 0.000 0.000 0.328 365 R C -1.499 174.665 176.300 -0.227 0.000 1.009 365 R CA -0.705 55.269 56.100 -0.210 0.000 0.864 365 R CB 0.667 30.714 30.300 -0.422 0.000 1.085 365 R HN 0.551 nan 8.270 nan 0.000 0.453 366 L N 6.157 127.313 121.223 -0.112 0.000 2.294 366 L HA 0.332 4.672 4.340 0.000 0.000 0.283 366 L C -1.079 175.747 176.870 -0.074 0.000 1.015 366 L CA -0.673 54.130 54.840 -0.061 0.000 0.831 366 L CB 0.884 42.973 42.059 0.051 0.000 1.217 366 L HN 0.573 nan 8.230 nan 0.000 0.420 367 Y N 1.698 122.030 120.300 0.054 0.000 2.402 367 Y HA 0.420 4.970 4.550 0.000 0.000 0.333 367 Y C 1.396 177.325 175.900 0.049 0.000 1.076 367 Y CA -0.197 57.965 58.100 0.104 0.000 1.299 367 Y CB 0.760 39.256 38.460 0.061 0.000 1.197 367 Y HN 0.712 nan 8.280 nan 0.000 0.517 368 G N 4.855 113.779 108.800 0.208 0.000 2.313 368 G HA2 0.238 4.199 3.960 0.000 0.000 0.250 368 G HA3 0.238 4.199 3.960 0.000 0.000 0.250 368 G C 0.318 175.265 174.900 0.079 0.000 1.281 368 G CA -0.508 44.657 45.100 0.107 0.000 0.917 368 G HN 0.537 nan 8.290 nan 0.000 0.501 369 R N 1.647 122.160 120.500 0.021 0.000 3.006 369 R HA 0.327 4.667 4.340 0.000 0.000 0.150 369 R C 0.403 176.724 176.300 0.035 0.000 1.285 369 R CA -0.648 55.463 56.100 0.019 0.000 0.813 369 R CB -0.176 30.121 30.300 -0.006 0.000 1.582 369 R HN 0.664 nan 8.270 nan 0.000 0.441 370 E N 1.129 121.351 120.200 0.038 0.000 2.376 370 E HA 0.139 4.489 4.350 0.000 0.000 0.254 370 E C 0.069 176.725 176.600 0.093 0.000 1.213 370 E CA -0.318 56.119 56.400 0.063 0.000 0.945 370 E CB 0.510 30.253 29.700 0.071 0.000 1.057 370 E HN 0.468 nan 8.360 nan 0.000 0.479 371 S N -0.048 115.701 115.700 0.082 0.000 2.617 371 S HA 0.065 4.535 4.470 0.000 0.000 0.259 371 S C 1.023 175.598 174.600 -0.042 0.000 1.301 371 S CA -0.505 57.719 58.200 0.039 0.000 0.984 371 S CB 0.304 63.540 63.200 0.060 0.000 0.954 371 S HN 0.503 nan 8.310 nan 0.000 0.572 372 L N 0.743 121.785 121.223 -0.300 0.000 2.549 372 L HA -0.010 4.330 4.340 0.000 0.000 0.229 372 L C 2.371 179.221 176.870 -0.033 0.000 1.158 372 L CA 1.229 55.750 54.840 -0.531 0.000 0.842 372 L CB -0.828 40.313 42.059 -1.530 0.000 0.952 372 L HN 1.022 nan 8.230 nan 0.000 0.452 373 T N -5.628 109.010 114.554 0.140 0.000 3.086 373 T HA 0.068 4.418 4.350 0.000 0.000 0.250 373 T C 0.773 175.573 174.700 0.167 0.000 1.074 373 T CA -0.209 62.035 62.100 0.240 0.000 0.988 373 T CB 0.200 69.221 68.868 0.255 0.000 0.988 373 T HN 0.072 nan 8.240 nan 0.000 0.530 374 S N 0.885 116.665 115.700 0.134 0.000 2.475 374 S HA 0.382 4.852 4.470 0.000 0.000 0.281 374 S C 0.781 175.433 174.600 0.087 0.000 1.198 374 S CA -0.860 57.441 58.200 0.167 0.000 1.063 374 S CB 0.592 63.897 63.200 0.175 0.000 0.972 374 S HN 0.439 nan 8.310 nan 0.000 0.486 375 R N 3.223 123.734 120.500 0.018 0.000 2.363 375 R HA 0.201 4.541 4.340 0.000 0.000 0.236 375 R C -0.234 175.671 176.300 -0.659 0.000 0.966 375 R CA 0.311 56.209 56.100 -0.336 0.000 1.100 375 R CB 0.055 30.086 30.300 -0.447 0.000 1.125 375 R HN 0.609 nan 8.270 nan 0.000 0.514 376 F N -1.306 118.624 119.950 -0.033 0.000 2.223 376 F HA 0.221 4.748 4.527 0.000 0.000 0.229 376 F C 0.792 176.554 175.800 -0.064 0.000 1.066 376 F CA -0.084 57.889 58.000 -0.045 0.000 1.199 376 F CB 0.261 39.243 39.000 -0.031 0.000 1.539 376 F HN -0.362 nan 8.300 nan 0.000 0.554 377 T N 2.197 116.845 114.554 0.157 0.000 2.912 377 T HA 0.385 4.735 4.350 0.000 0.000 0.326 377 T C -0.817 173.893 174.700 0.016 0.000 1.080 377 T CA -0.544 61.581 62.100 0.042 0.000 1.000 377 T CB 0.823 69.710 68.868 0.032 0.000 1.008 377 T HN 0.078 nan 8.240 nan 0.000 0.473 378 Q N 1.612 121.397 119.800 -0.024 0.000 2.316 378 Q HA 0.629 4.969 4.340 0.000 0.000 0.264 378 Q C -0.384 175.544 176.000 -0.120 0.000 0.987 378 Q CA -0.931 54.840 55.803 -0.054 0.000 0.852 378 Q CB 2.246 30.979 28.738 -0.008 0.000 1.287 378 Q HN 0.737 nan 8.270 nan 0.000 0.448 379 A N 3.444 126.125 122.820 -0.231 0.000 2.915 379 A HA 0.313 4.633 4.320 0.000 0.000 0.292 379 A C -1.124 176.259 177.584 -0.335 0.000 1.632 379 A CA 0.146 52.047 52.037 -0.227 0.000 1.337 379 A CB -0.561 18.339 19.000 -0.168 0.000 1.111 379 A HN 0.497 nan 8.150 nan 0.000 0.569 380 F N 2.298 122.020 119.950 -0.380 0.000 2.557 380 F HA 0.565 5.092 4.527 0.000 0.000 0.316 380 F C -1.133 174.543 175.800 -0.206 0.000 1.141 380 F CA -1.453 56.361 58.000 -0.310 0.000 0.922 380 F CB 2.122 40.995 39.000 -0.211 0.000 1.194 380 F HN 0.081 nan 8.300 nan 0.000 0.443 381 V N 5.529 125.180 119.914 -0.439 0.000 2.443 381 V HA 0.883 5.003 4.120 0.000 0.000 0.293 381 V C -0.524 175.166 176.094 -0.675 0.000 1.021 381 V CA -0.466 61.509 62.300 -0.542 0.000 0.848 381 V CB 1.076 32.548 31.823 -0.584 0.000 0.998 381 V HN 1.031 nan 8.190 nan 0.000 0.424 382 A N 5.532 128.069 122.820 -0.471 0.000 2.498 382 A HA 1.036 5.356 4.320 0.000 0.000 0.298 382 A C -0.642 176.980 177.584 0.063 0.000 1.075 382 A CA -0.933 50.910 52.037 -0.323 0.000 0.714 382 A CB 2.107 20.721 19.000 -0.643 0.000 1.299 382 A HN 0.972 nan 8.150 nan 0.000 0.407 383 R N 0.426 120.935 120.500 0.015 0.000 2.854 383 R HA 0.755 5.095 4.340 0.000 0.000 0.271 383 R C -0.743 175.216 176.300 -0.569 0.000 0.994 383 R CA -0.927 55.017 56.100 -0.261 0.000 0.945 383 R CB 1.154 31.159 30.300 -0.491 0.000 1.194 383 R HN 0.620 nan 8.270 nan 0.000 0.476 384 R N 0.727 120.621 120.500 -1.010 0.000 2.623 384 R HA 0.020 4.361 4.340 0.000 0.000 0.271 384 R C -0.599 175.368 176.300 -0.555 0.000 1.043 384 R CA -0.012 55.438 56.100 -1.084 0.000 1.083 384 R CB 0.317 30.089 30.300 -0.879 0.000 0.974 384 R HN 0.469 nan 8.270 nan 0.000 0.436 385 W N 2.465 123.435 121.300 -0.551 0.000 2.381 385 W HA 0.042 4.703 4.660 0.000 0.000 0.321 385 W C 0.794 177.081 176.519 -0.386 0.000 1.407 385 W CA 0.108 57.231 57.345 -0.371 0.000 1.274 385 W CB 0.230 29.688 29.460 -0.003 0.000 1.310 385 W HN 0.568 nan 8.180 nan 0.000 0.551 386 Q N 1.884 121.546 119.800 -0.231 0.000 2.149 386 Q HA 0.103 4.443 4.340 0.000 0.000 0.221 386 Q C -0.661 174.927 176.000 -0.688 0.000 0.807 386 Q CA 0.136 55.687 55.803 -0.420 0.000 1.000 386 Q CB 0.746 29.167 28.738 -0.528 0.000 1.157 386 Q HN 0.547 nan 8.270 nan 0.000 0.487 387 H N -2.516 116.563 119.070 0.016 0.000 3.012 387 H HA 0.205 4.761 4.556 0.000 0.000 0.367 387 H C -0.429 174.989 175.328 0.151 0.000 1.211 387 H CA -0.729 55.344 56.048 0.042 0.000 1.139 387 H CB 0.781 30.623 29.762 0.133 0.000 1.838 387 H HN -0.133 nan 8.280 nan 0.000 0.550 388 F N -0.549 119.646 119.950 0.409 0.000 2.456 388 F HA -0.016 4.511 4.527 0.000 0.000 0.298 388 F C 0.908 176.854 175.800 0.243 0.000 1.104 388 F CA 0.882 59.078 58.000 0.326 0.000 1.435 388 F CB 0.183 39.329 39.000 0.244 0.000 1.078 388 F HN 0.463 nan 8.300 nan 0.000 0.546 389 H N 0.270 119.515 119.070 0.293 0.000 2.860 389 H HA 0.410 4.966 4.556 0.000 0.000 0.312 389 H C -0.969 174.373 175.328 0.024 0.000 0.995 389 H CA -1.930 54.156 56.048 0.064 0.000 1.311 389 H CB 0.216 30.016 29.762 0.063 0.000 1.478 389 H HN -0.025 nan 8.280 nan 0.000 0.508 390 F N 2.709 122.576 119.950 -0.139 0.000 2.713 390 F HA 0.582 5.109 4.527 0.000 0.000 0.311 390 F C -2.194 173.379 175.800 -0.379 0.000 1.141 390 F CA -1.176 56.569 58.000 -0.424 0.000 0.939 390 F CB 0.697 39.341 39.000 -0.594 0.000 1.325 390 F HN 0.208 nan 8.300 nan 0.000 0.453 391 V N 1.944 121.737 119.914 -0.202 0.000 2.540 391 V HA 0.923 5.043 4.120 0.000 0.000 0.302 391 V C -0.920 175.150 176.094 -0.039 0.000 1.035 391 V CA -0.180 62.004 62.300 -0.193 0.000 0.873 391 V CB 1.129 32.810 31.823 -0.237 0.000 0.992 391 V HN 1.439 nan 8.190 nan 0.000 0.428 392 A N 5.276 128.122 122.820 0.045 0.000 2.386 392 A HA 0.922 5.242 4.320 0.000 0.000 0.311 392 A C -0.734 176.841 177.584 -0.014 0.000 1.068 392 A CA -0.593 51.476 52.037 0.053 0.000 0.743 392 A CB 1.717 20.922 19.000 0.342 0.000 1.258 392 A HN 0.905 nan 8.150 nan 0.000 0.429 393 E N 0.433 120.543 120.200 -0.150 0.000 2.335 393 E HA 0.556 4.906 4.350 0.000 0.000 0.280 393 E C -1.436 175.221 176.600 0.096 0.000 0.918 393 E CA -0.303 56.149 56.400 0.088 0.000 0.765 393 E CB 2.165 31.980 29.700 0.191 0.000 1.218 393 E HN 0.649 nan 8.360 nan 0.000 0.425 394 T N 2.145 116.857 114.554 0.263 0.000 2.901 394 T HA 0.491 4.841 4.350 0.000 0.000 0.293 394 T C -1.607 173.087 174.700 -0.011 0.000 1.084 394 T CA -0.693 61.529 62.100 0.203 0.000 1.008 394 T CB 1.352 70.553 68.868 0.555 0.000 1.170 394 T HN 0.371 nan 8.240 nan 0.000 0.509 395 K N 2.807 123.005 120.400 -0.337 0.000 2.545 395 K HA 0.687 5.007 4.320 0.000 0.000 0.252 395 K C -1.873 174.644 176.600 -0.139 0.000 0.948 395 K CA -0.670 55.334 56.287 -0.471 0.000 0.827 395 K CB 1.626 33.511 32.500 -1.025 0.000 1.128 395 K HN 0.400 nan 8.250 nan 0.000 0.429 396 V N 3.399 123.277 119.914 -0.060 0.000 2.656 396 V HA 0.549 4.670 4.120 0.000 0.000 0.307 396 V C -1.128 174.943 176.094 -0.037 0.000 1.051 396 V CA -0.384 61.822 62.300 -0.156 0.000 0.893 396 V CB 2.090 33.570 31.823 -0.572 0.000 0.999 396 V HN 0.890 nan 8.190 nan 0.000 0.426 397 S N 6.577 122.222 115.700 -0.093 0.000 2.433 397 S HA 0.805 5.275 4.470 0.000 0.000 0.310 397 S C -1.103 173.464 174.600 -0.055 0.000 1.097 397 S CA -0.462 57.622 58.200 -0.194 0.000 1.103 397 S CB 1.187 64.094 63.200 -0.487 0.000 0.992 397 S HN 0.925 nan 8.310 nan 0.000 0.469 398 F N 2.701 122.513 119.950 -0.230 0.000 2.604 398 F HA 0.540 5.067 4.527 0.000 0.000 0.316 398 F C -0.852 174.853 175.800 -0.158 0.000 1.136 398 F CA -0.925 56.957 58.000 -0.198 0.000 0.989 398 F CB 1.863 40.766 39.000 -0.163 0.000 1.258 398 F HN 0.623 nan 8.300 nan 0.000 0.451 399 R N 5.818 125.861 120.500 -0.762 0.000 2.564 399 R HA 0.321 4.661 4.340 0.000 0.000 0.282 399 R C -2.895 172.925 176.300 -0.800 0.000 1.573 399 R CA -1.747 53.987 56.100 -0.609 0.000 1.588 399 R CB 0.764 30.826 30.300 -0.396 0.000 1.154 399 R HN 0.305 nan 8.270 nan 0.000 0.606 400 P HA 0.101 nan 4.420 nan 0.000 0.281 400 P C 0.653 177.717 177.300 -0.394 0.000 1.252 400 P CA -0.042 62.694 63.100 -0.607 0.000 0.778 400 P CB 1.109 32.648 31.700 -0.268 0.000 0.895 401 T N -1.243 112.989 114.554 -0.537 0.000 3.069 401 T HA 0.183 4.533 4.350 0.000 0.000 0.252 401 T C 0.497 174.406 174.700 -1.319 0.000 1.053 401 T CA 0.050 61.630 62.100 -0.867 0.000 0.964 401 T CB -0.232 68.273 68.868 -0.604 0.000 1.005 401 T HN 0.532 nan 8.240 nan 0.000 0.532 402 T N 0.212 114.314 114.554 -0.752 0.000 2.885 402 T HA 0.452 4.802 4.350 0.000 0.000 0.322 402 T C -0.067 174.628 174.700 -0.007 0.000 1.387 402 T CA -0.825 60.936 62.100 -0.565 0.000 1.041 402 T CB 0.706 69.184 68.868 -0.649 0.000 1.287 402 T HN 0.090 nan 8.240 nan 0.000 0.491 403 F N 1.343 121.522 119.950 0.381 0.000 2.546 403 F HA 0.181 4.708 4.527 0.000 0.000 0.298 403 F C 1.966 177.875 175.800 0.182 0.000 1.120 403 F CA 0.434 58.612 58.000 0.296 0.000 1.456 403 F CB -0.804 38.343 39.000 0.246 0.000 1.088 403 F HN 0.555 nan 8.300 nan 0.000 0.572 404 Q N 0.529 120.308 119.800 -0.036 0.000 2.482 404 Q HA 0.047 4.387 4.340 0.000 0.000 0.209 404 Q C 0.001 176.054 176.000 0.089 0.000 0.961 404 Q CA 0.470 56.304 55.803 0.053 0.000 0.945 404 Q CB -0.078 28.608 28.738 -0.088 0.000 1.012 404 Q HN 0.606 nan 8.270 nan 0.000 0.515 405 Q N 0.330 120.202 119.800 0.120 0.000 2.342 405 Q HA 0.440 4.780 4.340 0.000 0.000 0.267 405 Q C -0.807 175.401 176.000 0.347 0.000 1.038 405 Q CA -0.527 55.406 55.803 0.217 0.000 0.832 405 Q CB 2.245 31.084 28.738 0.169 0.000 1.323 405 Q HN 0.058 nan 8.270 nan 0.000 0.448 406 S N 0.005 115.910 115.700 0.343 0.000 2.570 406 S HA 0.926 5.396 4.470 0.000 0.000 0.270 406 S C -1.550 172.955 174.600 -0.157 0.000 1.149 406 S CA -0.793 57.552 58.200 0.242 0.000 0.837 406 S CB 2.006 65.291 63.200 0.142 0.000 1.124 406 S HN 0.740 nan 8.310 nan 0.000 0.465 407 A N 0.292 122.935 122.820 -0.296 0.000 2.517 407 A HA 1.000 5.320 4.320 0.000 0.000 0.297 407 A C -0.032 177.528 177.584 -0.040 0.000 1.050 407 A CA -0.198 51.595 52.037 -0.406 0.000 0.694 407 A CB 1.058 19.331 19.000 -1.212 0.000 1.277 407 A HN 2.187 nan 8.150 nan 0.000 0.400 408 G N -0.431 108.471 108.800 0.170 0.000 2.489 408 G HA2 0.601 4.561 3.960 0.000 0.000 0.305 408 G HA3 0.601 4.561 3.960 0.000 0.000 0.305 408 G C -2.064 173.061 174.900 0.375 0.000 1.311 408 G CA -0.530 44.721 45.100 0.251 0.000 0.813 408 G HN 1.497 nan 8.290 nan 0.000 0.480 409 L N 0.883 122.334 121.223 0.381 0.000 2.264 409 L HA 0.741 5.081 4.340 0.000 0.000 0.289 409 L C -0.424 176.717 176.870 0.450 0.000 1.044 409 L CA -0.531 54.598 54.840 0.482 0.000 0.807 409 L CB 1.341 43.737 42.059 0.562 0.000 1.192 409 L HN 0.336 nan 8.230 nan 0.000 0.425 410 V N 5.048 125.252 119.914 0.484 0.000 2.555 410 V HA 0.502 4.622 4.120 0.000 0.000 0.302 410 V C -0.292 176.178 176.094 0.626 0.000 1.038 410 V CA -0.872 61.692 62.300 0.440 0.000 0.887 410 V CB 1.765 33.678 31.823 0.150 0.000 0.991 410 V HN 0.739 nan 8.190 nan 0.000 0.434 411 N N 3.109 122.188 118.700 0.632 0.000 2.424 411 N HA 0.439 5.180 4.740 0.000 0.000 0.271 411 N C -1.583 174.285 175.510 0.596 0.000 0.985 411 N CA -0.276 53.153 53.050 0.632 0.000 0.921 411 N CB 2.288 41.089 38.487 0.522 0.000 1.149 411 N HN 0.782 nan 8.380 nan 0.000 0.492 412 Y N 2.191 122.758 120.300 0.446 0.000 2.406 412 Y HA 0.173 4.723 4.550 0.000 0.000 0.340 412 Y C -0.556 175.561 175.900 0.361 0.000 0.975 412 Y CA -0.650 57.721 58.100 0.452 0.000 1.056 412 Y CB 1.232 40.036 38.460 0.573 0.000 1.210 412 Y HN 0.529 nan 8.280 nan 0.000 0.448 413 Y N 4.293 124.512 120.300 -0.136 0.000 2.333 413 Y HA 0.238 4.788 4.550 0.000 0.000 0.287 413 Y C -0.028 175.680 175.900 -0.321 0.000 1.149 413 Y CA 1.063 59.081 58.100 -0.137 0.000 1.193 413 Y CB 0.416 38.782 38.460 -0.156 0.000 1.175 413 Y HN 0.760 nan 8.280 nan 0.000 0.518 414 N N -2.409 116.039 118.700 -0.419 0.000 3.316 414 N HA 0.102 4.843 4.740 0.000 0.000 0.300 414 N C 0.352 175.607 175.510 -0.425 0.000 1.567 414 N CA 0.175 52.967 53.050 -0.429 0.000 0.821 414 N CB 0.358 38.812 38.487 -0.054 0.000 1.748 414 N HN 0.046 nan 8.380 nan 0.000 0.603 415 T N -3.031 111.509 114.554 -0.024 0.000 2.897 415 T HA -0.132 4.218 4.350 0.000 0.000 0.271 415 T C 0.813 175.669 174.700 0.260 0.000 1.084 415 T CA 1.368 63.590 62.100 0.203 0.000 1.123 415 T CB -0.364 68.593 68.868 0.148 0.000 0.865 415 T HN 0.595 nan 8.240 nan 0.000 0.496 416 Q N 0.410 120.229 119.800 0.031 0.000 2.217 416 Q HA 0.262 4.602 4.340 0.000 0.000 0.217 416 Q C -0.306 175.498 176.000 -0.327 0.000 0.844 416 Q CA -0.099 55.640 55.803 -0.106 0.000 0.957 416 Q CB 0.632 29.295 28.738 -0.124 0.000 1.127 416 Q HN 0.504 nan 8.270 nan 0.000 0.503 417 N N 1.213 119.741 118.700 -0.285 0.000 2.577 417 N HA 0.217 4.957 4.740 0.000 0.000 0.275 417 N C -1.451 173.980 175.510 -0.132 0.000 1.091 417 N CA -0.159 52.707 53.050 -0.305 0.000 0.843 417 N CB 1.430 39.772 38.487 -0.242 0.000 1.295 417 N HN 0.179 nan 8.380 nan 0.000 0.530 418 W N 0.279 121.537 121.300 -0.071 0.000 2.989 418 W HA 0.485 5.145 4.660 0.000 0.000 0.344 418 W C -1.195 175.376 176.519 0.086 0.000 1.233 418 W CA -0.897 56.459 57.345 0.018 0.000 1.187 418 W CB 0.698 30.183 29.460 0.041 0.000 1.443 418 W HN 0.196 nan 8.180 nan 0.000 0.573 419 T N -0.731 114.174 114.554 0.586 0.000 2.896 419 T HA 0.710 5.060 4.350 0.000 0.000 0.297 419 T C -1.226 173.746 174.700 0.452 0.000 1.108 419 T CA -0.573 61.795 62.100 0.447 0.000 1.004 419 T CB 2.450 71.430 68.868 0.186 0.000 1.159 419 T HN 0.756 nan 8.240 nan 0.000 0.499 420 T N 1.150 115.813 114.554 0.182 0.000 3.012 420 T HA 0.522 4.873 4.350 0.000 0.000 0.330 420 T C -2.078 172.419 174.700 -0.339 0.000 1.321 420 T CA -0.697 61.395 62.100 -0.013 0.000 1.067 420 T CB 1.496 70.385 68.868 0.035 0.000 1.235 420 T HN 0.860 nan 8.240 nan 0.000 0.479 421 L N 5.799 126.741 121.223 -0.469 0.000 2.262 421 L HA 0.652 4.992 4.340 0.000 0.000 0.288 421 L C -0.243 176.628 176.870 0.003 0.000 1.035 421 L CA 0.111 54.788 54.840 -0.271 0.000 0.820 421 L CB 0.723 42.654 42.059 -0.215 0.000 1.204 421 L HN 0.770 nan 8.230 nan 0.000 0.424 422 Q N 4.368 124.188 119.800 0.032 0.000 2.423 422 Q HA 0.632 4.972 4.340 0.000 0.000 0.278 422 Q C -1.246 174.822 176.000 0.113 0.000 1.097 422 Q CA -0.956 54.896 55.803 0.082 0.000 0.809 422 Q CB 2.165 30.940 28.738 0.061 0.000 1.391 422 Q HN 0.611 nan 8.270 nan 0.000 0.428 423 I N 1.773 122.435 120.570 0.152 0.000 2.395 423 I HA 0.403 4.573 4.170 0.000 0.000 0.289 423 I C 0.181 176.482 176.117 0.308 0.000 1.023 423 I CA -0.097 61.336 61.300 0.222 0.000 1.350 423 I CB 1.636 39.818 38.000 0.303 0.000 1.409 423 I HN 0.804 nan 8.210 nan 0.000 0.507 424 T N 4.262 118.977 114.554 0.269 0.000 2.654 424 T HA 0.456 4.806 4.350 0.000 0.000 0.289 424 T C -2.186 172.701 174.700 0.311 0.000 1.062 424 T CA -0.525 61.765 62.100 0.317 0.000 1.041 424 T CB 1.187 70.227 68.868 0.287 0.000 1.417 424 T HN 0.540 nan 8.240 nan 0.000 0.510 425 W N 1.668 123.050 121.300 0.136 0.000 2.736 425 W HA 0.681 5.341 4.660 0.000 0.000 0.335 425 W C -1.211 175.442 176.519 0.222 0.000 1.059 425 W CA -0.501 56.912 57.345 0.114 0.000 1.226 425 W CB 1.061 30.532 29.460 0.018 0.000 1.416 425 W HN 0.705 nan 8.180 nan 0.000 0.505 426 H N 3.660 122.295 119.070 -0.724 0.000 2.717 426 H HA 0.210 4.766 4.556 0.000 0.000 0.366 426 H C 0.408 174.941 175.328 -1.325 0.000 1.132 426 H CA -0.284 55.347 56.048 -0.695 0.000 1.180 426 H CB 2.220 31.772 29.762 -0.350 0.000 1.678 426 H HN 0.608 nan 8.280 nan 0.000 0.537 427 E N 2.603 122.021 120.200 -1.303 0.000 2.070 427 E HA -0.219 4.131 4.350 0.000 0.000 0.197 427 E C 1.154 177.501 176.600 -0.422 0.000 1.004 427 E CA 2.190 58.093 56.400 -0.827 0.000 0.805 427 E CB 0.331 29.787 29.700 -0.406 0.000 0.744 427 E HN 0.641 nan 8.360 nan 0.000 0.451 428 E N -0.213 119.875 120.200 -0.186 0.000 2.099 428 E HA 0.065 4.415 4.350 0.000 0.000 0.191 428 E C 1.577 178.174 176.600 -0.006 0.000 0.962 428 E CA 0.718 57.114 56.400 -0.008 0.000 0.826 428 E CB 0.148 29.895 29.700 0.078 0.000 0.788 428 E HN 0.047 nan 8.360 nan 0.000 0.461 429 K N -0.069 120.379 120.400 0.080 0.000 2.365 429 K HA 0.168 4.488 4.320 0.000 0.000 0.197 429 K C 0.931 177.449 176.600 -0.136 0.000 1.042 429 K CA 0.487 56.722 56.287 -0.087 0.000 0.987 429 K CB 0.328 32.684 32.500 -0.241 0.000 0.779 429 K HN 0.216 nan 8.250 nan 0.000 0.484 430 G N 2.162 110.794 108.800 -0.280 0.000 2.512 430 G HA2 -0.355 3.606 3.960 0.000 0.000 0.254 430 G HA3 -0.355 3.606 3.960 0.000 0.000 0.254 430 G C -0.646 174.130 174.900 -0.208 0.000 1.199 430 G CA -0.090 44.838 45.100 -0.287 0.000 0.941 430 G HN 0.383 nan 8.290 nan 0.000 0.569 431 R N 0.927 121.439 120.500 0.021 0.000 2.446 431 R HA 0.433 4.773 4.340 0.000 0.000 0.314 431 R C 0.649 176.954 176.300 0.009 0.000 1.003 431 R CA 0.638 56.777 56.100 0.065 0.000 1.018 431 R CB -0.577 29.746 30.300 0.038 0.000 0.945 431 R HN 0.831 nan 8.270 nan 0.000 0.419 432 I N 1.139 121.733 120.570 0.039 0.000 2.934 432 I HA 0.439 4.609 4.170 0.000 0.000 0.306 432 I C -1.093 175.052 176.117 0.048 0.000 1.110 432 I CA -1.332 59.976 61.300 0.014 0.000 1.019 432 I CB 1.885 39.869 38.000 -0.027 0.000 1.227 432 I HN 0.389 nan 8.210 nan 0.000 0.434 433 L N 3.083 124.312 121.223 0.010 0.000 2.295 433 L HA 0.562 4.902 4.340 0.000 0.000 0.285 433 L C -0.276 176.590 176.870 -0.007 0.000 1.035 433 L CA -0.135 54.703 54.840 -0.003 0.000 0.806 433 L CB 1.479 43.468 42.059 -0.117 0.000 1.214 433 L HN 0.848 nan 8.230 nan 0.000 0.426 434 E N 3.910 124.126 120.200 0.028 0.000 2.433 434 E HA 0.612 4.963 4.350 0.000 0.000 0.273 434 E C -1.594 175.030 176.600 0.040 0.000 0.950 434 E CA -0.998 55.425 56.400 0.038 0.000 0.796 434 E CB 2.068 31.805 29.700 0.061 0.000 1.330 434 E HN 0.362 nan 8.360 nan 0.000 0.455 435 L N 1.323 122.587 121.223 0.067 0.000 2.322 435 L HA 0.597 4.937 4.340 0.000 0.000 0.279 435 L C -0.183 176.760 176.870 0.123 0.000 1.036 435 L CA -0.772 54.112 54.840 0.074 0.000 0.807 435 L CB 1.584 43.762 42.059 0.199 0.000 1.226 435 L HN 0.595 nan 8.230 nan 0.000 0.433 436 M N 2.501 122.188 119.600 0.144 0.000 2.386 436 M HA 0.496 4.976 4.480 0.000 0.000 0.293 436 M C -1.018 175.444 176.300 0.269 0.000 1.120 436 M CA -0.262 55.177 55.300 0.232 0.000 0.909 436 M CB 2.379 35.169 32.600 0.316 0.000 1.661 436 M HN 0.696 nan 8.290 nan 0.000 0.452 437 T N 0.652 115.265 114.554 0.099 0.000 2.907 437 T HA 0.711 5.062 4.350 0.000 0.000 0.292 437 T C -1.374 173.012 174.700 -0.522 0.000 1.043 437 T CA -0.747 61.297 62.100 -0.094 0.000 1.003 437 T CB 1.672 70.592 68.868 0.087 0.000 1.084 437 T HN 0.837 nan 8.240 nan 0.000 0.483 438 C N 2.975 121.726 119.300 -0.915 0.000 2.446 438 C HA 0.724 5.184 4.460 0.000 0.000 0.329 438 C C -1.528 173.112 174.990 -0.583 0.000 1.166 438 C CA -0.439 57.985 59.018 -0.989 0.000 1.341 438 C CB 0.383 26.942 27.740 -1.969 0.000 1.970 438 C HN 1.034 nan 8.230 nan 0.000 0.452 439 D N 3.410 123.636 120.400 -0.289 0.000 2.421 439 D HA 0.323 4.963 4.640 0.000 0.000 0.254 439 D C -0.013 176.296 176.300 0.015 0.000 1.238 439 D CA -0.044 53.906 54.000 -0.083 0.000 0.919 439 D CB 0.256 41.084 40.800 0.047 0.000 1.152 439 D HN 0.828 nan 8.370 nan 0.000 0.552 440 H N 2.974 121.973 119.070 -0.118 0.000 2.692 440 H HA -0.224 4.332 4.556 0.000 0.000 0.316 440 H C 1.265 176.542 175.328 -0.086 0.000 1.176 440 H CA 0.716 56.702 56.048 -0.103 0.000 1.142 440 H CB -0.912 28.784 29.762 -0.111 0.000 1.475 440 H HN 0.419 nan 8.280 nan 0.000 0.423 441 L N -3.021 118.159 121.223 -0.073 0.000 4.342 441 L HA -0.234 4.106 4.340 0.000 0.000 0.395 441 L C -0.101 176.739 176.870 -0.051 0.000 0.764 441 L CA 1.538 56.351 54.840 -0.045 0.000 2.417 441 L CB -0.832 41.234 42.059 0.012 0.000 1.210 441 L HN 0.207 nan 8.230 nan 0.000 0.626 442 V N 1.241 121.124 119.914 -0.051 0.000 2.455 442 V HA 0.380 4.500 4.120 0.000 0.000 0.273 442 V C 0.627 176.663 176.094 -0.098 0.000 1.045 442 V CA -0.164 62.109 62.300 -0.045 0.000 0.976 442 V CB 1.249 33.063 31.823 -0.015 0.000 0.993 442 V HN 0.053 nan 8.190 nan 0.000 0.475 443 V N 4.366 124.238 119.914 -0.071 0.000 2.472 443 V HA 0.481 4.601 4.120 0.000 0.000 0.290 443 V C -0.318 175.755 176.094 -0.034 0.000 1.037 443 V CA -0.421 61.826 62.300 -0.087 0.000 0.908 443 V CB 1.947 33.758 31.823 -0.020 0.000 0.985 443 V HN 0.953 nan 8.190 nan 0.000 0.454 444 D N 2.499 122.882 120.400 -0.028 0.000 2.575 444 D HA 0.462 5.102 4.640 0.000 0.000 0.236 444 D C -0.759 175.574 176.300 0.056 0.000 1.075 444 D CA -0.466 53.544 54.000 0.017 0.000 0.860 444 D CB 2.123 42.934 40.800 0.019 0.000 1.475 444 D HN 0.525 nan 8.370 nan 0.000 0.474 445 Q N 3.165 123.001 119.800 0.060 0.000 2.607 445 Q HA 0.280 4.620 4.340 0.000 0.000 0.247 445 Q C -1.743 174.295 176.000 0.063 0.000 1.033 445 Q CA -1.599 54.250 55.803 0.077 0.000 0.769 445 Q CB 2.068 30.848 28.738 0.070 0.000 1.169 445 Q HN 0.313 nan 8.270 nan 0.000 0.508 446 P HA -0.103 nan 4.420 nan 0.000 0.230 446 P C 0.434 177.758 177.300 0.040 0.000 1.158 446 P CA 0.594 63.722 63.100 0.048 0.000 0.769 446 P CB 0.433 32.162 31.700 0.049 0.000 0.807 447 L N -0.371 120.885 121.223 0.054 0.000 2.741 447 L HA 0.188 4.528 4.340 0.000 0.000 0.237 447 L C 1.298 178.177 176.870 0.014 0.000 1.178 447 L CA -0.353 54.510 54.840 0.038 0.000 0.973 447 L CB -0.806 41.284 42.059 0.050 0.000 1.255 447 L HN -0.065 nan 8.230 nan 0.000 0.498 448 R N -0.557 119.951 120.500 0.013 0.000 2.441 448 R HA 0.480 4.820 4.340 0.000 0.000 0.284 448 R C 0.204 176.498 176.300 -0.009 0.000 1.070 448 R CA -0.054 56.045 56.100 -0.001 0.000 1.047 448 R CB 0.742 31.049 30.300 0.011 0.000 1.016 448 R HN 0.141 nan 8.270 nan 0.000 0.477 449 G N 2.973 111.760 108.800 -0.021 0.000 3.161 449 G HA2 0.188 4.148 3.960 0.000 0.000 0.328 449 G HA3 0.188 4.148 3.960 0.000 0.000 0.328 449 G C 0.103 174.965 174.900 -0.064 0.000 1.037 449 G CA -0.703 44.367 45.100 -0.050 0.000 1.416 449 G HN 0.748 nan 8.290 nan 0.000 0.486 450 R N 1.386 121.854 120.500 -0.055 0.000 2.548 450 R HA 0.141 4.481 4.340 0.000 0.000 0.449 450 R C -0.427 175.852 176.300 -0.034 0.000 0.928 450 R CA -0.312 55.767 56.100 -0.036 0.000 1.107 450 R CB 0.397 30.691 30.300 -0.010 0.000 1.557 450 R HN 0.434 nan 8.270 nan 0.000 0.584 451 E N 0.824 120.983 120.200 -0.069 0.000 2.422 451 E HA 0.042 4.392 4.350 0.000 0.000 0.260 451 E C 0.036 176.605 176.600 -0.051 0.000 1.108 451 E CA 0.133 56.497 56.400 -0.061 0.000 0.943 451 E CB 0.696 30.338 29.700 -0.096 0.000 0.961 451 E HN 0.136 nan 8.360 nan 0.000 0.443 452 I N 2.559 123.099 120.570 -0.050 0.000 2.363 452 I HA 0.035 4.206 4.170 0.000 0.000 0.292 452 I C -0.217 175.901 176.117 0.001 0.000 1.075 452 I CA -0.333 60.945 61.300 -0.037 0.000 1.333 452 I CB -0.149 37.730 38.000 -0.202 0.000 1.415 452 I HN 0.205 nan 8.210 nan 0.000 0.502 453 V N 7.910 127.838 119.914 0.024 0.000 2.485 453 V HA 0.017 4.137 4.120 0.000 0.000 0.287 453 V C 0.566 176.684 176.094 0.040 0.000 1.022 453 V CA -0.302 62.003 62.300 0.008 0.000 1.067 453 V CB 1.074 32.895 31.823 -0.004 0.000 0.967 453 V HN 0.415 nan 8.190 nan 0.000 0.479 454 V N 8.260 128.149 119.914 -0.042 0.000 2.406 454 V HA 0.269 4.389 4.120 0.000 0.000 0.272 454 V C -1.995 173.966 176.094 -0.220 0.000 1.043 454 V CA -1.748 60.421 62.300 -0.219 0.000 0.915 454 V CB 1.035 32.736 31.823 -0.202 0.000 0.988 454 V HN 0.771 nan 8.190 nan 0.000 0.466 455 P HA 0.105 nan 4.420 nan 0.000 0.269 455 P C 0.626 177.827 177.300 -0.165 0.000 1.209 455 P CA -0.121 62.874 63.100 -0.174 0.000 0.776 455 P CB 0.694 32.302 31.700 -0.154 0.000 0.876 456 D N 1.647 121.988 120.400 -0.098 0.000 2.158 456 D HA -0.217 4.424 4.640 0.000 0.000 0.197 456 D C 0.912 177.158 176.300 -0.089 0.000 0.995 456 D CA 1.506 55.458 54.000 -0.081 0.000 0.846 456 D CB -0.159 40.611 40.800 -0.050 0.000 0.941 456 D HN 0.424 nan 8.370 nan 0.000 0.456 457 D N -0.533 119.818 120.400 -0.082 0.000 2.319 457 D HA -0.053 4.587 4.640 0.000 0.000 0.230 457 D C 0.124 176.384 176.300 -0.067 0.000 1.094 457 D CA -0.167 53.797 54.000 -0.060 0.000 0.856 457 D CB -0.155 40.626 40.800 -0.031 0.000 0.915 457 D HN 0.190 nan 8.370 nan 0.000 0.517 458 I N 1.622 122.118 120.570 -0.124 0.000 2.304 458 I HA 0.147 4.317 4.170 0.000 0.000 0.291 458 I C 1.404 177.452 176.117 -0.114 0.000 1.018 458 I CA -0.481 60.747 61.300 -0.121 0.000 1.260 458 I CB 1.204 39.021 38.000 -0.305 0.000 1.390 458 I HN -0.005 nan 8.210 nan 0.000 0.475 459 E N 5.417 125.569 120.200 -0.080 0.000 2.060 459 E HA -0.052 4.298 4.350 0.000 0.000 0.189 459 E C -0.440 175.937 176.600 -0.372 0.000 0.974 459 E CA 1.018 57.270 56.400 -0.247 0.000 0.808 459 E CB 0.343 29.875 29.700 -0.279 0.000 0.768 459 E HN 0.511 nan 8.360 nan 0.000 0.453 460 Y N -0.071 120.235 120.300 0.010 0.000 2.352 460 Y HA 0.392 4.942 4.550 0.000 0.000 0.339 460 Y C -0.561 175.362 175.900 0.038 0.000 0.992 460 Y CA -1.078 56.990 58.100 -0.053 0.000 1.100 460 Y CB 1.929 40.277 38.460 -0.187 0.000 1.192 460 Y HN -0.248 nan 8.280 nan 0.000 0.458 461 V N 3.920 123.943 119.914 0.182 0.000 2.427 461 V HA 0.300 4.420 4.120 0.000 0.000 0.286 461 V C -0.898 175.321 176.094 0.209 0.000 1.034 461 V CA -1.244 61.256 62.300 0.334 0.000 0.893 461 V CB 0.763 32.781 31.823 0.326 0.000 0.982 461 V HN 0.601 nan 8.190 nan 0.000 0.452 462 Y N 4.992 125.417 120.300 0.209 0.000 2.335 462 Y HA 0.646 5.196 4.550 0.000 0.000 0.339 462 Y C 0.060 176.156 175.900 0.327 0.000 0.987 462 Y CA -0.648 57.554 58.100 0.171 0.000 1.140 462 Y CB 1.172 39.576 38.460 -0.093 0.000 1.173 462 Y HN 0.419 nan 8.280 nan 0.000 0.486 463 L N 4.817 126.377 121.223 0.563 0.000 2.341 463 L HA 0.715 5.055 4.340 0.000 0.000 0.278 463 L C -0.393 176.854 176.870 0.628 0.000 1.005 463 L CA -0.866 54.335 54.840 0.602 0.000 0.818 463 L CB 2.109 44.452 42.059 0.474 0.000 1.259 463 L HN 0.582 nan 8.230 nan 0.000 0.418 464 R N 1.886 122.761 120.500 0.624 0.000 2.725 464 R HA 0.821 5.162 4.340 0.000 0.000 0.277 464 R C -2.016 174.454 176.300 0.284 0.000 0.987 464 R CA -0.591 55.714 56.100 0.342 0.000 0.901 464 R CB 2.685 32.982 30.300 -0.005 0.000 1.207 464 R HN 0.421 nan 8.270 nan 0.000 0.463 465 V N 2.568 122.543 119.914 0.102 0.000 2.656 465 V HA 0.594 4.714 4.120 0.000 0.000 0.307 465 V C -1.326 174.657 176.094 -0.184 0.000 1.051 465 V CA -0.255 61.989 62.300 -0.093 0.000 0.893 465 V CB 2.455 34.137 31.823 -0.236 0.000 0.999 465 V HN 0.915 nan 8.190 nan 0.000 0.426 466 T N 5.891 120.328 114.554 -0.195 0.000 2.791 466 T HA 0.519 4.869 4.350 0.000 0.000 0.288 466 T C -0.587 173.941 174.700 -0.286 0.000 0.999 466 T CA -0.303 61.648 62.100 -0.248 0.000 0.952 466 T CB 1.265 70.049 68.868 -0.140 0.000 0.938 466 T HN 0.495 nan 8.240 nan 0.000 0.444 467 V N 4.512 124.064 119.914 -0.603 0.000 2.407 467 V HA 0.362 4.482 4.120 0.000 0.000 0.278 467 V C 0.147 176.097 176.094 -0.240 0.000 1.037 467 V CA -0.584 61.373 62.300 -0.572 0.000 0.900 467 V CB 1.303 32.295 31.823 -1.384 0.000 0.983 467 V HN 0.837 nan 8.190 nan 0.000 0.459 468 Q N 3.760 123.503 119.800 -0.095 0.000 2.907 468 Q HA 0.576 4.917 4.340 0.000 0.000 0.262 468 Q C 0.778 176.757 176.000 -0.035 0.000 0.997 468 Q CA 0.260 55.973 55.803 -0.150 0.000 0.797 468 Q CB 1.525 30.143 28.738 -0.199 0.000 1.228 468 Q HN 1.039 nan 8.270 nan 0.000 0.466 469 A N 0.936 123.801 122.820 0.076 0.000 5.078 469 A HA -0.422 3.898 4.320 0.000 0.000 0.342 469 A C 1.788 179.499 177.584 0.211 0.000 1.749 469 A CA 2.729 54.860 52.037 0.157 0.000 0.700 469 A CB -2.269 16.724 19.000 -0.011 0.000 1.446 469 A HN 0.750 nan 8.150 nan 0.000 0.395 470 T N -2.003 112.624 114.554 0.122 0.000 2.867 470 T HA 0.289 4.639 4.350 0.000 0.000 0.268 470 T C 1.019 175.843 174.700 0.207 0.000 1.057 470 T CA 2.368 64.561 62.100 0.155 0.000 1.136 470 T CB -1.033 67.878 68.868 0.071 0.000 0.874 470 T HN 2.282 nan 8.240 nan 0.000 0.466 471 T N -0.193 114.460 114.554 0.165 0.000 2.916 471 T HA 0.672 5.022 4.350 0.000 0.000 0.292 471 T C -1.070 173.767 174.700 0.229 0.000 1.055 471 T CA -1.159 61.036 62.100 0.157 0.000 1.009 471 T CB 2.040 70.936 68.868 0.047 0.000 1.118 471 T HN 0.596 nan 8.240 nan 0.000 0.497 472 Y N -1.421 118.943 120.300 0.106 0.000 2.625 472 Y HA 0.845 5.395 4.550 0.000 0.000 0.338 472 Y C -1.246 174.724 175.900 0.116 0.000 1.123 472 Y CA -1.358 56.757 58.100 0.025 0.000 1.046 472 Y CB 1.720 40.145 38.460 -0.060 0.000 1.299 472 Y HN 0.750 nan 8.280 nan 0.000 0.464 473 K N 1.648 122.133 120.400 0.142 0.000 2.464 473 K HA 0.408 4.728 4.320 0.000 0.000 0.253 473 K C -1.982 174.701 176.600 0.139 0.000 0.933 473 K CA -0.891 55.498 56.287 0.170 0.000 0.801 473 K CB 2.305 34.874 32.500 0.116 0.000 1.271 473 K HN 0.691 nan 8.250 nan 0.000 0.430 474 Y N 0.601 121.104 120.300 0.340 0.000 2.335 474 Y HA 0.288 4.838 4.550 0.000 0.000 0.323 474 Y C 0.744 176.822 175.900 0.298 0.000 1.224 474 Y CA 0.137 58.426 58.100 0.315 0.000 1.241 474 Y CB 1.772 40.430 38.460 0.330 0.000 1.235 474 Y HN 0.601 nan 8.280 nan 0.000 0.492 475 S N 1.457 117.455 115.700 0.496 0.000 2.607 475 S HA 0.784 5.254 4.470 0.000 0.000 0.273 475 S C -1.638 173.373 174.600 0.685 0.000 1.148 475 S CA -0.933 57.554 58.200 0.479 0.000 0.833 475 S CB 1.936 65.330 63.200 0.323 0.000 1.130 475 S HN 0.676 nan 8.310 nan 0.000 0.470 476 Y N -1.426 119.153 120.300 0.465 0.000 2.615 476 Y HA 0.881 5.431 4.550 0.000 0.000 0.341 476 Y C -0.759 175.015 175.900 -0.210 0.000 1.089 476 Y CA -0.845 57.410 58.100 0.258 0.000 1.049 476 Y CB 1.395 39.932 38.460 0.130 0.000 1.296 476 Y HN 0.894 nan 8.280 nan 0.000 0.470 477 S N 0.892 116.255 115.700 -0.562 0.000 2.541 477 S HA 0.573 5.043 4.470 0.000 0.000 0.271 477 S C -1.105 173.377 174.600 -0.198 0.000 1.133 477 S CA -0.623 57.042 58.200 -0.892 0.000 0.876 477 S CB 0.667 62.759 63.200 -1.847 0.000 1.105 477 S HN 0.599 nan 8.310 nan 0.000 0.470 478 F N 1.863 121.766 119.950 -0.079 0.000 2.749 478 F HA 0.263 4.790 4.527 0.000 0.000 0.300 478 F C 1.448 177.282 175.800 0.057 0.000 1.103 478 F CA -0.217 57.852 58.000 0.114 0.000 1.342 478 F CB 0.133 39.204 39.000 0.118 0.000 1.098 478 F HN 0.657 nan 8.300 nan 0.000 0.586 479 D N -2.855 117.459 120.400 -0.142 0.000 2.510 479 D HA 0.225 4.865 4.640 0.000 0.000 0.234 479 D C 1.751 177.627 176.300 -0.707 0.000 1.178 479 D CA 0.705 54.566 54.000 -0.230 0.000 0.816 479 D CB -0.095 40.644 40.800 -0.102 0.000 1.143 479 D HN 0.140 nan 8.370 nan 0.000 0.526 480 G N 0.546 108.514 108.800 -1.386 0.000 2.162 480 G HA2 -0.366 3.594 3.960 0.000 0.000 0.260 480 G HA3 -0.366 3.594 3.960 0.000 0.000 0.260 480 G C 0.819 175.506 174.900 -0.356 0.000 0.976 480 G CA 0.941 45.305 45.100 -1.226 0.000 0.655 480 G HN 0.388 nan 8.290 nan 0.000 0.533 481 M N -0.998 118.380 119.600 -0.371 0.000 2.724 481 M HA 0.231 4.712 4.480 0.000 0.000 0.231 481 M C 0.464 176.742 176.300 -0.038 0.000 1.568 481 M CA 0.124 55.381 55.300 -0.072 0.000 1.153 481 M CB 0.367 32.928 32.600 -0.065 0.000 1.345 481 M HN 0.046 nan 8.290 nan 0.000 0.555 482 N N 0.651 119.218 118.700 -0.222 0.000 2.462 482 N HA 0.183 4.923 4.740 0.000 0.000 0.242 482 N C -1.804 173.495 175.510 -0.353 0.000 1.010 482 N CA 0.054 53.002 53.050 -0.171 0.000 0.939 482 N CB 0.687 39.085 38.487 -0.148 0.000 1.127 482 N HN 0.110 nan 8.380 nan 0.000 0.509 483 W N 2.477 123.658 121.300 -0.197 0.000 2.496 483 W HA 0.546 5.206 4.660 0.000 0.000 0.327 483 W C 0.217 176.558 176.519 -0.296 0.000 1.086 483 W CA -0.503 56.691 57.345 -0.252 0.000 1.222 483 W CB 1.011 30.387 29.460 -0.140 0.000 1.304 483 W HN 0.212 nan 8.180 nan 0.000 0.547 484 I N 3.173 123.580 120.570 -0.270 0.000 2.436 484 I HA 0.142 4.312 4.170 0.000 0.000 0.289 484 I C -0.314 175.761 176.117 -0.070 0.000 1.010 484 I CA -0.907 60.231 61.300 -0.270 0.000 1.098 484 I CB 1.227 38.916 38.000 -0.517 0.000 1.266 484 I HN 0.191 nan 8.210 nan 0.000 0.434 485 D N 6.321 126.759 120.400 0.063 0.000 2.389 485 D HA 0.274 4.914 4.640 0.000 0.000 0.247 485 D C -0.268 176.157 176.300 0.209 0.000 1.128 485 D CA 0.020 54.112 54.000 0.153 0.000 0.884 485 D CB 1.394 42.260 40.800 0.109 0.000 1.194 485 D HN 0.227 nan 8.370 nan 0.000 0.441 486 L N 4.752 126.154 121.223 0.298 0.000 2.331 486 L HA 0.190 4.530 4.340 0.000 0.000 0.278 486 L C -1.472 175.517 176.870 0.199 0.000 1.106 486 L CA -1.200 53.811 54.840 0.286 0.000 0.824 486 L CB 0.590 42.863 42.059 0.358 0.000 1.142 486 L HN 0.223 nan 8.230 nan 0.000 0.443 487 P HA 0.078 nan 4.420 nan 0.000 0.237 487 P C -0.778 176.522 177.300 0.000 0.000 1.723 487 P CA 0.187 63.324 63.100 0.061 0.000 0.882 487 P CB 0.001 31.730 31.700 0.047 0.000 1.810 488 V N -0.158 119.747 119.914 -0.015 0.000 2.577 488 V HA 0.284 4.404 4.120 0.000 0.000 0.303 488 V C 0.249 176.151 176.094 -0.321 0.000 1.042 488 V CA -0.332 61.823 62.300 -0.240 0.000 0.872 488 V CB 2.204 33.778 31.823 -0.414 0.000 0.998 488 V HN -0.020 nan 8.190 nan 0.000 0.423 489 T N 5.783 120.125 114.554 -0.354 0.000 2.733 489 T HA 0.606 4.956 4.350 0.000 0.000 0.294 489 T C -0.384 174.028 174.700 -0.479 0.000 0.956 489 T CA 0.098 62.032 62.100 -0.277 0.000 0.987 489 T CB 0.089 68.872 68.868 -0.142 0.000 0.920 489 T HN 0.290 nan 8.240 nan 0.000 0.470 490 F N 1.555 121.308 119.950 -0.330 0.000 2.378 490 F HA 0.417 4.944 4.527 0.000 0.000 0.325 490 F C 1.149 176.698 175.800 -0.418 0.000 1.097 490 F CA -0.997 56.703 58.000 -0.501 0.000 1.079 490 F CB 0.990 39.410 39.000 -0.968 0.000 1.240 490 F HN 0.414 nan 8.300 nan 0.000 0.519 491 E N 0.137 120.316 120.200 -0.035 0.000 2.145 491 E HA 0.228 4.579 4.350 0.000 0.000 0.270 491 E C -0.089 176.634 176.600 0.206 0.000 0.906 491 E CA -0.309 56.144 56.400 0.088 0.000 0.761 491 E CB 1.641 31.383 29.700 0.070 0.000 1.116 491 E HN 0.560 nan 8.360 nan 0.000 0.408 492 S N 1.716 117.661 115.700 0.408 0.000 2.447 492 S HA -0.180 4.290 4.470 0.000 0.000 0.233 492 S C 1.696 176.418 174.600 0.203 0.000 1.006 492 S CA 0.818 59.307 58.200 0.482 0.000 0.957 492 S CB -0.299 63.279 63.200 0.629 0.000 0.773 492 S HN 0.676 nan 8.310 nan 0.000 0.507 493 Y N 1.838 122.132 120.300 -0.009 0.000 2.421 493 Y HA 0.120 4.670 4.550 0.000 0.000 0.292 493 Y C 1.553 177.219 175.900 -0.391 0.000 1.136 493 Y CA 0.818 58.797 58.100 -0.201 0.000 1.255 493 Y CB -0.447 37.696 38.460 -0.528 0.000 0.991 493 Y HN 0.024 nan 8.280 nan 0.000 0.552 494 K N 0.076 119.839 120.400 -1.061 0.000 2.504 494 K HA 0.036 4.356 4.320 0.000 0.000 0.195 494 K C 0.093 176.447 176.600 -0.410 0.000 1.036 494 K CA 0.359 55.951 56.287 -1.158 0.000 0.984 494 K CB 0.061 31.933 32.500 -1.047 0.000 0.788 494 K HN 0.269 nan 8.250 nan 0.000 0.488 495 L N 0.865 121.952 121.223 -0.228 0.000 3.094 495 L HA 0.107 4.447 4.340 0.000 0.000 0.254 495 L C -0.124 176.685 176.870 -0.103 0.000 1.298 495 L CA -0.025 54.733 54.840 -0.135 0.000 1.050 495 L CB 0.306 42.252 42.059 -0.187 0.000 1.420 495 L HN -0.061 nan 8.230 nan 0.000 0.548 496 S N -3.891 111.726 115.700 -0.138 0.000 2.566 496 S HA 0.454 4.924 4.470 0.000 0.000 0.298 496 S C 0.604 175.073 174.600 -0.219 0.000 1.083 496 S CA -0.757 57.440 58.200 -0.005 0.000 0.978 496 S CB 1.882 65.235 63.200 0.254 0.000 1.073 496 S HN 0.092 nan 8.310 nan 0.000 0.491 497 D N 1.933 122.296 120.400 -0.061 0.000 2.154 497 D HA -0.176 4.464 4.640 0.000 0.000 0.190 497 D C 1.061 177.351 176.300 -0.017 0.000 1.003 497 D CA 2.261 56.213 54.000 -0.080 0.000 0.849 497 D CB -0.646 40.199 40.800 0.075 0.000 0.942 497 D HN 0.820 nan 8.370 nan 0.000 0.446 498 D N -1.136 119.368 120.400 0.173 0.000 2.263 498 D HA -0.160 4.480 4.640 0.000 0.000 0.208 498 D C 1.637 178.187 176.300 0.416 0.000 0.971 498 D CA 0.460 54.622 54.000 0.271 0.000 0.867 498 D CB -0.232 40.740 40.800 0.287 0.000 0.929 498 D HN 0.282 nan 8.370 nan 0.000 0.492 499 Y N 0.949 121.435 120.300 0.310 0.000 2.457 499 Y HA 0.077 4.627 4.550 0.000 0.000 0.292 499 Y C 0.260 176.259 175.900 0.164 0.000 1.125 499 Y CA 0.134 58.404 58.100 0.283 0.000 1.254 499 Y CB 0.226 38.744 38.460 0.096 0.000 1.012 499 Y HN -0.177 nan 8.280 nan 0.000 0.555 500 I N 2.469 123.031 120.570 -0.014 0.000 2.452 500 I HA -0.005 4.165 4.170 0.000 0.000 0.287 500 I C 1.042 177.179 176.117 0.032 0.000 1.079 500 I CA -0.043 61.230 61.300 -0.044 0.000 1.387 500 I CB 1.129 38.991 38.000 -0.229 0.000 1.404 500 I HN 0.127 nan 8.210 nan 0.000 0.522 501 K N 3.622 124.126 120.400 0.174 0.000 2.283 501 K HA -0.088 4.232 4.320 0.000 0.000 0.202 501 K C 1.865 178.466 176.600 0.002 0.000 1.048 501 K CA 0.999 57.270 56.287 -0.027 0.000 0.948 501 K CB -0.204 32.175 32.500 -0.202 0.000 0.742 501 K HN 0.733 nan 8.250 nan 0.000 0.458 502 S N 0.432 116.141 115.700 0.015 0.000 2.453 502 S HA -0.060 4.411 4.470 0.000 0.000 0.231 502 S C 1.025 175.610 174.600 -0.026 0.000 1.005 502 S CA 0.485 58.684 58.200 -0.001 0.000 0.949 502 S CB -0.076 63.116 63.200 -0.013 0.000 0.774 502 S HN 0.323 nan 8.310 nan 0.000 0.510 503 R N -0.358 120.099 120.500 -0.072 0.000 3.943 503 R HA -0.186 4.154 4.340 0.000 0.000 0.459 503 R C 0.403 176.499 176.300 -0.340 0.000 0.939 503 R CA 0.896 56.928 56.100 -0.114 0.000 1.515 503 R CB -2.374 27.933 30.300 0.013 0.000 2.164 503 R HN 0.589 nan 8.270 nan 0.000 0.516 504 A N 1.141 123.765 122.820 -0.326 0.000 2.915 504 A HA 0.585 4.905 4.320 0.000 0.000 0.292 504 A C 0.378 177.553 177.584 -0.682 0.000 1.632 504 A CA 0.670 52.366 52.037 -0.568 0.000 1.337 504 A CB 0.043 18.962 19.000 -0.134 0.000 1.111 504 A HN 0.425 nan 8.150 nan 0.000 0.569 505 A N 1.587 123.704 122.820 -1.171 0.000 3.158 505 A HA 0.624 4.945 4.320 0.000 0.000 0.302 505 A C -0.627 176.617 177.584 -0.565 0.000 1.162 505 A CA -0.290 51.416 52.037 -0.551 0.000 0.824 505 A CB 0.012 18.827 19.000 -0.309 0.000 1.322 505 A HN 0.525 nan 8.150 nan 0.000 0.510 506 F N 0.417 120.129 119.950 -0.396 0.000 2.724 506 F HA 0.153 4.680 4.527 0.000 0.000 0.310 506 F C 1.757 177.050 175.800 -0.846 0.000 1.107 506 F CA 0.529 58.081 58.000 -0.745 0.000 1.218 506 F CB 0.098 38.255 39.000 -1.404 0.000 1.042 506 F HN 0.487 nan 8.300 nan 0.000 0.540 507 T N -2.232 111.975 114.554 -0.580 0.000 3.074 507 T HA 0.793 5.143 4.350 0.000 0.000 0.182 507 T C 0.853 175.111 174.700 -0.737 0.000 0.747 507 T CA 0.212 61.641 62.100 -1.118 0.000 1.884 507 T CB 0.247 68.453 68.868 -1.103 0.000 2.388 507 T HN 0.239 nan 8.240 nan 0.000 0.421 508 G N -0.037 108.374 108.800 -0.648 0.000 2.339 508 G HA2 0.533 4.494 3.960 0.000 0.000 0.302 508 G HA3 0.533 4.494 3.960 0.000 0.000 0.302 508 G C -1.056 173.740 174.900 -0.174 0.000 1.425 508 G CA -0.531 44.469 45.100 -0.168 0.000 0.899 508 G HN 0.904 nan 8.290 nan 0.000 0.619 509 A N -0.273 122.451 122.820 -0.160 0.000 2.440 509 A HA 0.754 5.074 4.320 0.000 0.000 0.251 509 A C -0.554 176.878 177.584 -0.254 0.000 1.089 509 A CA 0.256 52.056 52.037 -0.394 0.000 0.779 509 A CB -0.019 18.142 19.000 -1.399 0.000 1.022 509 A HN 0.857 nan 8.150 nan 0.000 0.492 510 F N 0.612 120.484 119.950 -0.129 0.000 2.556 510 F HA 0.595 5.122 4.527 0.000 0.000 0.327 510 F C 0.166 176.216 175.800 0.417 0.000 1.059 510 F CA -0.759 57.282 58.000 0.068 0.000 0.953 510 F CB 2.338 41.268 39.000 -0.117 0.000 1.227 510 F HN 0.427 nan 8.300 nan 0.000 0.478 511 V N 1.650 121.921 119.914 0.595 0.000 2.588 511 V HA 0.954 5.074 4.120 0.000 0.000 0.304 511 V C -0.611 175.759 176.094 0.460 0.000 1.042 511 V CA 0.083 62.782 62.300 0.666 0.000 0.877 511 V CB 1.217 33.486 31.823 0.743 0.000 0.996 511 V HN 0.894 nan 8.190 nan 0.000 0.425 512 G N 5.217 114.309 108.800 0.488 0.000 2.619 512 G HA2 0.564 4.524 3.960 0.000 0.000 0.305 512 G HA3 0.564 4.524 3.960 0.000 0.000 0.305 512 G C -1.672 173.407 174.900 0.299 0.000 1.330 512 G CA -0.994 44.187 45.100 0.135 0.000 0.789 512 G HN 0.696 nan 8.290 nan 0.000 0.487 513 M N 1.314 120.882 119.600 -0.053 0.000 2.294 513 M HA 0.433 4.913 4.480 0.000 0.000 0.335 513 M C -0.772 175.537 176.300 0.015 0.000 1.079 513 M CA -0.723 54.426 55.300 -0.251 0.000 0.982 513 M CB 2.054 33.949 32.600 -1.175 0.000 1.651 513 M HN 0.577 nan 8.290 nan 0.000 0.437 514 H N 1.419 120.530 119.070 0.068 0.000 2.690 514 H HA 0.589 5.145 4.556 0.000 0.000 0.368 514 H C -1.791 173.574 175.328 0.063 0.000 1.150 514 H CA -0.627 55.453 56.048 0.053 0.000 1.174 514 H CB 2.249 31.900 29.762 -0.185 0.000 1.684 514 H HN 0.855 nan 8.280 nan 0.000 0.538 515 C N 6.016 125.195 119.300 -0.202 0.000 2.446 515 C HA 0.473 4.934 4.460 0.000 0.000 0.329 515 C C -0.534 174.402 174.990 -0.090 0.000 1.166 515 C CA -0.662 58.295 59.018 -0.102 0.000 1.341 515 C CB 0.480 28.162 27.740 -0.097 0.000 1.970 515 C HN 0.958 nan 8.230 nan 0.000 0.452 516 R N 3.661 124.209 120.500 0.081 0.000 2.460 516 R HA 0.554 4.894 4.340 0.000 0.000 0.303 516 R C -1.362 175.014 176.300 0.127 0.000 0.968 516 R CA -0.106 56.065 56.100 0.119 0.000 0.889 516 R CB 1.200 31.597 30.300 0.162 0.000 1.123 516 R HN 0.775 nan 8.270 nan 0.000 0.455 517 D N 3.193 123.654 120.400 0.103 0.000 2.375 517 D HA 0.226 4.866 4.640 0.000 0.000 0.259 517 D C 0.582 176.914 176.300 0.053 0.000 1.235 517 D CA -0.357 53.699 54.000 0.093 0.000 0.924 517 D CB 1.322 42.180 40.800 0.097 0.000 1.143 517 D HN 0.806 nan 8.370 nan 0.000 0.529 518 G N 1.264 110.094 108.800 0.051 0.000 2.598 518 G HA2 -0.170 3.790 3.960 0.000 0.000 0.215 518 G HA3 -0.170 3.790 3.960 0.000 0.000 0.215 518 G C 1.352 176.252 174.900 -0.001 0.000 1.131 518 G CA 0.955 46.077 45.100 0.036 0.000 0.785 518 G HN 0.479 nan 8.290 nan 0.000 0.539 519 S N -0.585 115.096 115.700 -0.033 0.000 2.446 519 S HA 0.325 4.795 4.470 0.000 0.000 0.225 519 S C 1.848 176.419 174.600 -0.049 0.000 1.016 519 S CA 1.120 59.279 58.200 -0.068 0.000 0.943 519 S CB -0.152 62.972 63.200 -0.126 0.000 0.786 519 S HN 1.479 nan 8.310 nan 0.000 0.508 520 G N 0.920 109.704 108.800 -0.026 0.000 2.149 520 G HA2 -0.233 3.727 3.960 0.000 0.000 0.235 520 G HA3 -0.233 3.727 3.960 0.000 0.000 0.235 520 G C 0.268 175.154 174.900 -0.023 0.000 1.018 520 G CA 0.316 45.406 45.100 -0.018 0.000 0.728 520 G HN 0.571 nan 8.290 nan 0.000 0.508 521 Q N -0.654 119.130 119.800 -0.027 0.000 2.280 521 Q HA 0.234 4.574 4.340 0.000 0.000 0.201 521 Q C 1.411 177.416 176.000 0.009 0.000 0.890 521 Q CA 0.191 55.974 55.803 -0.033 0.000 0.947 521 Q CB 0.256 28.947 28.738 -0.077 0.000 1.081 521 Q HN 0.454 nan 8.270 nan 0.000 0.502 522 N N 0.988 119.720 118.700 0.053 0.000 2.741 522 N HA -0.193 4.547 4.740 0.000 0.000 0.250 522 N C -0.893 174.766 175.510 0.248 0.000 1.115 522 N CA 0.389 53.528 53.050 0.148 0.000 0.724 522 N CB -1.179 37.370 38.487 0.102 0.000 1.090 522 N HN 0.268 nan 8.380 nan 0.000 0.558 523 N N 0.654 119.420 118.700 0.110 0.000 2.458 523 N HA 0.210 4.950 4.740 0.000 0.000 0.258 523 N C -0.570 175.043 175.510 0.172 0.000 1.219 523 N CA 0.386 53.436 53.050 0.001 0.000 0.902 523 N CB 0.217 38.654 38.487 -0.083 0.000 1.076 523 N HN 0.338 nan 8.380 nan 0.000 0.455 524 Y N -0.100 120.292 120.300 0.153 0.000 2.570 524 Y HA 0.834 5.384 4.550 0.000 0.000 0.345 524 Y C -0.806 175.180 175.900 0.143 0.000 1.014 524 Y CA -1.742 56.383 58.100 0.042 0.000 1.063 524 Y CB 0.691 38.940 38.460 -0.351 0.000 1.272 524 Y HN 0.472 nan 8.280 nan 0.000 0.477 525 A N 1.351 124.285 122.820 0.191 0.000 2.330 525 A HA 0.605 4.925 4.320 0.000 0.000 0.327 525 A C -1.429 176.112 177.584 -0.071 0.000 1.155 525 A CA -0.744 51.276 52.037 -0.028 0.000 0.803 525 A CB 0.643 19.360 19.000 -0.472 0.000 1.208 525 A HN 0.736 nan 8.150 nan 0.000 0.477 526 D N 1.732 122.050 120.400 -0.137 0.000 2.392 526 D HA 0.455 5.095 4.640 0.000 0.000 0.228 526 D C -1.274 174.978 176.300 -0.079 0.000 1.074 526 D CA 0.467 54.439 54.000 -0.048 0.000 0.838 526 D CB 0.835 41.608 40.800 -0.045 0.000 1.067 526 D HN 0.331 nan 8.370 nan 0.000 0.511 527 F N 1.410 121.433 119.950 0.122 0.000 2.385 527 F HA 0.125 4.653 4.527 0.000 0.000 0.360 527 F C 1.627 177.628 175.800 0.335 0.000 1.122 527 F CA -0.732 57.380 58.000 0.186 0.000 1.090 527 F CB 1.495 40.571 39.000 0.127 0.000 1.150 527 F HN 0.173 nan 8.300 nan 0.000 0.472 528 D N 2.437 123.085 120.400 0.414 0.000 2.137 528 D HA -0.089 4.552 4.640 0.000 0.000 0.202 528 D C -0.363 176.160 176.300 0.372 0.000 0.970 528 D CA 1.515 55.659 54.000 0.240 0.000 0.837 528 D CB 0.232 41.013 40.800 -0.032 0.000 0.981 528 D HN 0.411 nan 8.370 nan 0.000 0.475 529 Y N -2.791 117.724 120.300 0.357 0.000 2.625 529 Y HA 0.553 5.103 4.550 0.000 0.000 0.338 529 Y C -1.800 174.284 175.900 0.305 0.000 1.123 529 Y CA -2.024 56.162 58.100 0.144 0.000 1.046 529 Y CB 0.540 39.016 38.460 0.027 0.000 1.299 529 Y HN -0.204 nan 8.280 nan 0.000 0.464 530 F N 3.380 123.412 119.950 0.136 0.000 2.477 530 F HA 0.656 5.183 4.527 0.000 0.000 0.335 530 F C -1.600 174.411 175.800 0.351 0.000 1.130 530 F CA -1.198 57.007 58.000 0.342 0.000 0.948 530 F CB 1.432 40.690 39.000 0.430 0.000 1.154 530 F HN 0.787 nan 8.300 nan 0.000 0.439 531 L N 7.405 128.548 121.223 -0.133 0.000 2.307 531 L HA 0.527 4.867 4.340 0.000 0.000 0.284 531 L C -1.989 174.751 176.870 -0.217 0.000 1.023 531 L CA -0.839 53.954 54.840 -0.080 0.000 0.810 531 L CB 1.333 43.390 42.059 -0.003 0.000 1.231 531 L HN 0.735 nan 8.230 nan 0.000 0.423 532 Y N 5.377 125.632 120.300 -0.075 0.000 2.373 532 Y HA 0.496 5.046 4.550 0.000 0.000 0.336 532 Y C -1.206 174.719 175.900 0.042 0.000 0.979 532 Y CA -0.784 57.296 58.100 -0.033 0.000 1.080 532 Y CB 1.314 39.759 38.460 -0.025 0.000 1.190 532 Y HN 0.561 nan 8.280 nan 0.000 0.446 533 K N 5.792 125.898 120.400 -0.490 0.000 2.565 533 K HA 0.228 4.548 4.320 0.000 0.000 0.249 533 K C -1.288 174.995 176.600 -0.528 0.000 0.958 533 K CA -0.614 55.449 56.287 -0.373 0.000 0.806 533 K CB 1.587 33.947 32.500 -0.233 0.000 1.194 533 K HN 0.872 nan 8.250 nan 0.000 0.434 534 E N 4.749 124.639 120.200 -0.516 0.000 2.414 534 E HA 0.086 4.436 4.350 0.000 0.000 0.263 534 E C -0.705 175.637 176.600 -0.429 0.000 1.000 534 E CA -0.017 56.043 56.400 -0.567 0.000 0.914 534 E CB 0.624 29.877 29.700 -0.745 0.000 0.948 534 E HN 0.447 nan 8.360 nan 0.000 0.444 535 L N 0.000 120.921 121.223 -0.504 0.000 2.949 535 L HA 0.000 4.340 4.340 0.000 0.000 0.249 535 L CA 0.000 54.452 54.840 -0.646 0.000 0.813 535 L CB 0.000 41.390 42.059 -1.116 0.000 0.961 535 L HN 0.000 nan 8.230 nan 0.000 0.502