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 2exj_1_C DATA FIRST_RESID 3 DATA SEQUENCE KIKNPILTGF HPDPSICRVG DDYYIAVSTF EWFPGVRIYH SKDLKNWRLV DATA SEQUENCE ARPLNRLSQL NMIGNPDSGG VWAPHLSYSD GKFWLIYTDV KVVEGQWKDG DATA SEQUENCE HNYLVTCDTI DGAWSDPIYL NSSGFGPSLF HDEDGRKYLV NMYWDHRVDH DATA SEQUENCE HPFYGIVLQE YSVEQKKLVG EPKIIFKGTD LRITEGPHLY 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 0.000 176.612 176.600 0.019 0.000 0.988 3 K CA 0.000 56.296 56.287 0.016 0.000 0.838 3 K CB 0.000 32.505 32.500 0.008 0.000 1.064 4 I N 3.641 124.231 120.570 0.033 0.000 2.301 4 I HA 0.161 4.331 4.170 0.000 0.000 0.292 4 I C -0.471 175.677 176.117 0.051 0.000 1.046 4 I CA -0.440 60.885 61.300 0.042 0.000 1.282 4 I CB 1.149 39.178 38.000 0.049 0.000 1.409 4 I HN 0.024 nan 8.210 nan 0.000 0.484 5 K N 6.571 127.000 120.400 0.048 0.000 2.264 5 K HA 0.253 4.573 4.320 0.000 0.000 0.277 5 K C -0.325 176.304 176.600 0.049 0.000 1.067 5 K CA -0.392 55.925 56.287 0.050 0.000 0.900 5 K CB 0.340 32.870 32.500 0.050 0.000 1.124 5 K HN 0.374 nan 8.250 nan 0.000 0.469 6 N N 5.108 123.837 118.700 0.048 0.000 2.492 6 N HA 0.143 4.883 4.740 0.000 0.000 0.262 6 N C -2.396 173.144 175.510 0.050 0.000 1.202 6 N CA -0.911 52.159 53.050 0.034 0.000 0.926 6 N CB 0.651 39.163 38.487 0.041 0.000 1.078 6 N HN 0.465 nan 8.380 nan 0.000 0.454 7 P HA 0.254 nan 4.420 nan 0.000 0.294 7 P C 1.154 178.412 177.300 -0.070 0.000 1.294 7 P CA -0.551 62.529 63.100 -0.034 0.000 0.827 7 P CB 0.902 32.580 31.700 -0.037 0.000 0.992 8 I N 0.431 120.932 120.570 -0.115 0.000 2.286 8 I HA -0.087 4.083 4.170 0.000 0.000 0.248 8 I C 0.343 176.291 176.117 -0.282 0.000 1.115 8 I CA 1.427 62.650 61.300 -0.128 0.000 1.392 8 I CB -0.568 37.354 38.000 -0.130 0.000 1.065 8 I HN 0.132 nan 8.210 nan 0.000 0.418 9 L N 3.415 124.380 121.223 -0.431 0.000 2.356 9 L HA 0.325 4.665 4.340 0.000 0.000 0.264 9 L C 0.596 177.213 176.870 -0.422 0.000 1.029 9 L CA -0.605 53.825 54.840 -0.684 0.000 0.897 9 L CB 1.109 42.486 42.059 -1.138 0.000 1.256 9 L HN 0.230 nan 8.230 nan 0.000 0.444 10 T N -0.293 114.096 114.554 -0.275 0.000 2.680 10 T HA 0.491 4.841 4.350 0.000 0.000 0.314 10 T C 0.865 175.524 174.700 -0.069 0.000 1.045 10 T CA 0.403 62.404 62.100 -0.165 0.000 1.025 10 T CB 1.149 69.896 68.868 -0.202 0.000 1.000 10 T HN 0.863 nan 8.240 nan 0.000 0.535 11 G N 0.555 109.300 108.800 -0.092 0.000 2.939 11 G HA2 -0.150 3.810 3.960 0.000 0.000 0.278 11 G HA3 -0.150 3.810 3.960 0.000 0.000 0.278 11 G C -0.343 174.603 174.900 0.077 0.000 1.487 11 G CA -0.262 44.802 45.100 -0.059 0.000 0.935 11 G HN 1.663 nan 8.290 nan 0.000 0.553 12 F N 1.805 121.639 119.950 -0.193 0.000 2.440 12 F HA 0.376 4.903 4.527 0.000 0.000 0.379 12 F C 0.749 176.345 175.800 -0.339 0.000 1.061 12 F CA 0.321 58.223 58.000 -0.165 0.000 1.026 12 F CB -0.604 38.319 39.000 -0.129 0.000 0.967 12 F HN 0.537 nan 8.300 nan 0.000 0.547 13 H N 5.021 124.048 119.070 -0.071 0.000 2.946 13 H HA 0.292 4.848 4.556 0.000 0.000 0.217 13 H C -2.610 172.692 175.328 -0.044 0.000 1.393 13 H CA -1.158 54.763 56.048 -0.213 0.000 1.306 13 H CB 0.305 29.922 29.762 -0.242 0.000 2.062 13 H HN 0.384 nan 8.280 nan 0.000 0.520 14 P HA 0.056 nan 4.420 nan 0.000 0.275 14 P C -0.225 177.121 177.300 0.076 0.000 1.266 14 P CA -0.260 62.952 63.100 0.185 0.000 0.793 14 P CB 0.628 32.525 31.700 0.327 0.000 1.074 15 D N -2.037 118.347 120.400 -0.026 0.000 2.802 15 D HA -0.127 4.513 4.640 0.000 0.000 0.229 15 D C -1.970 174.347 176.300 0.027 0.000 1.203 15 D CA 0.206 54.100 54.000 -0.177 0.000 0.712 15 D CB -1.422 39.161 40.800 -0.361 0.000 0.973 15 D HN 0.320 nan 8.370 nan 0.000 0.407 16 P HA 0.038 nan 4.420 nan 0.000 0.266 16 P C -0.213 177.187 177.300 0.166 0.000 1.215 16 P CA 0.189 63.331 63.100 0.070 0.000 0.763 16 P CB 1.295 32.987 31.700 -0.013 0.000 0.806 17 S N 3.683 119.493 115.700 0.184 0.000 2.437 17 S HA 0.546 5.016 4.470 0.000 0.000 0.305 17 S C -0.490 174.255 174.600 0.242 0.000 1.109 17 S CA -0.724 57.629 58.200 0.255 0.000 1.099 17 S CB -0.051 63.340 63.200 0.318 0.000 1.004 17 S HN 0.359 nan 8.310 nan 0.000 0.475 18 I N 5.032 125.763 120.570 0.267 0.000 2.433 18 I HA 0.607 4.777 4.170 0.000 0.000 0.292 18 I C -0.984 175.368 176.117 0.391 0.000 1.001 18 I CA -0.316 61.173 61.300 0.316 0.000 1.119 18 I CB 1.278 39.446 38.000 0.279 0.000 1.289 18 I HN 0.741 nan 8.210 nan 0.000 0.438 19 C N 7.913 127.500 119.300 0.478 0.000 2.431 19 C HA 0.608 5.068 4.460 0.000 0.000 0.321 19 C C -0.481 174.822 174.990 0.523 0.000 1.202 19 C CA -0.685 58.632 59.018 0.498 0.000 1.398 19 C CB 0.942 29.007 27.740 0.542 0.000 2.047 19 C HN 0.905 nan 8.230 nan 0.000 0.465 20 R N 4.328 125.048 120.500 0.366 0.000 2.229 20 R HA 0.688 5.028 4.340 0.000 0.000 0.328 20 R C -1.493 174.792 176.300 -0.024 0.000 1.009 20 R CA -0.221 55.942 56.100 0.105 0.000 0.864 20 R CB 0.879 31.297 30.300 0.197 0.000 1.085 20 R HN 0.615 nan 8.270 nan 0.000 0.453 21 V N 5.823 125.658 119.914 -0.131 0.000 2.289 21 V HA 0.385 4.505 4.120 0.000 0.000 0.272 21 V C 1.056 176.974 176.094 -0.293 0.000 1.026 21 V CA 0.098 62.262 62.300 -0.227 0.000 0.807 21 V CB 0.376 32.122 31.823 -0.129 0.000 1.044 21 V HN 1.175 nan 8.190 nan 0.000 0.443 22 G N 5.489 114.099 108.800 -0.317 0.000 3.181 22 G HA2 -0.356 3.604 3.960 0.000 0.000 0.322 22 G HA3 -0.356 3.604 3.960 0.000 0.000 0.322 22 G C 0.340 174.946 174.900 -0.490 0.000 1.246 22 G CA 1.086 45.992 45.100 -0.325 0.000 0.989 22 G HN 1.037 nan 8.290 nan 0.000 0.607 23 D N 0.213 120.330 120.400 -0.472 0.000 2.582 23 D HA 0.327 4.967 4.640 0.000 0.000 0.246 23 D C -0.417 175.721 176.300 -0.271 0.000 1.334 23 D CA 0.021 53.759 54.000 -0.436 0.000 0.805 23 D CB 0.352 40.897 40.800 -0.425 0.000 1.087 23 D HN 0.420 nan 8.370 nan 0.000 0.499 24 D N 0.689 120.886 120.400 -0.338 0.000 2.255 24 D HA 0.185 4.825 4.640 0.000 0.000 0.249 24 D C -0.603 175.254 176.300 -0.738 0.000 1.078 24 D CA 0.098 53.938 54.000 -0.265 0.000 0.896 24 D CB 1.150 41.938 40.800 -0.021 0.000 1.194 24 D HN 0.137 nan 8.370 nan 0.000 0.429 25 Y N 0.623 120.684 120.300 -0.398 0.000 2.462 25 Y HA 0.367 4.917 4.550 0.000 0.000 0.346 25 Y C -0.664 175.108 175.900 -0.213 0.000 0.976 25 Y CA -0.946 57.017 58.100 -0.228 0.000 1.044 25 Y CB 1.554 39.965 38.460 -0.082 0.000 1.230 25 Y HN 0.226 nan 8.280 nan 0.000 0.455 26 Y N 2.853 123.542 120.300 0.648 0.000 2.406 26 Y HA 0.633 5.183 4.550 0.000 0.000 0.340 26 Y C -0.685 175.499 175.900 0.474 0.000 0.975 26 Y CA -1.204 57.240 58.100 0.574 0.000 1.056 26 Y CB 1.618 40.329 38.460 0.419 0.000 1.210 26 Y HN 0.376 nan 8.280 nan 0.000 0.448 27 I N 3.034 123.891 120.570 0.479 0.000 2.389 27 I HA 0.614 4.784 4.170 0.000 0.000 0.288 27 I C -0.267 175.981 176.117 0.219 0.000 0.999 27 I CA -0.975 60.441 61.300 0.194 0.000 1.129 27 I CB 1.592 39.463 38.000 -0.215 0.000 1.288 27 I HN 0.744 nan 8.210 nan 0.000 0.444 28 A N 6.979 129.913 122.820 0.191 0.000 2.320 28 A HA 0.657 4.977 4.320 0.000 0.000 0.287 28 A C -0.211 177.433 177.584 0.100 0.000 1.181 28 A CA -0.396 51.717 52.037 0.127 0.000 0.831 28 A CB 0.500 19.572 19.000 0.119 0.000 1.102 28 A HN 0.609 nan 8.150 nan 0.000 0.513 29 V N 1.256 121.212 119.914 0.071 0.000 2.769 29 V HA 0.790 4.910 4.120 0.000 0.000 0.312 29 V C 0.162 176.239 176.094 -0.029 0.000 1.061 29 V CA -0.472 61.849 62.300 0.035 0.000 0.931 29 V CB 1.245 33.103 31.823 0.059 0.000 1.010 29 V HN 0.994 nan 8.190 nan 0.000 0.433 30 S N 2.466 118.155 115.700 -0.019 0.000 2.585 30 S HA 0.439 4.909 4.470 0.000 0.000 0.273 30 S C 0.851 175.488 174.600 0.061 0.000 1.339 30 S CA 0.187 58.346 58.200 -0.068 0.000 1.028 30 S CB 0.964 64.000 63.200 -0.273 0.000 0.906 30 S HN 1.367 nan 8.310 nan 0.000 0.528 31 T N -2.533 112.099 114.554 0.130 0.000 3.041 31 T HA 0.336 4.686 4.350 0.000 0.000 0.276 31 T C 0.497 175.632 174.700 0.725 0.000 0.948 31 T CA -0.270 62.105 62.100 0.459 0.000 0.885 31 T CB -0.748 68.233 68.868 0.188 0.000 1.175 31 T HN 0.498 nan 8.240 nan 0.000 0.529 32 F N 2.665 122.847 119.950 0.386 0.000 2.426 32 F HA -0.374 4.153 4.527 0.000 0.000 0.283 32 F C 2.006 177.953 175.800 0.246 0.000 1.467 32 F CA 2.092 60.289 58.000 0.329 0.000 1.793 32 F CB -1.149 38.012 39.000 0.268 0.000 1.994 32 F HN 0.326 nan 8.300 nan 0.000 0.187 33 E N 0.445 120.857 120.200 0.353 0.000 2.371 33 E HA -0.081 4.269 4.350 0.000 0.000 0.194 33 E C 0.307 176.920 176.600 0.022 0.000 1.012 33 E CA 0.775 57.225 56.400 0.085 0.000 0.860 33 E CB -0.391 29.245 29.700 -0.107 0.000 0.811 33 E HN 0.522 nan 8.360 nan 0.000 0.502 34 W N 1.129 122.526 121.300 0.163 0.000 2.253 34 W HA 0.303 4.963 4.660 0.000 0.000 0.322 34 W C -0.097 176.517 176.519 0.159 0.000 1.342 34 W CA -0.476 56.932 57.345 0.105 0.000 1.218 34 W CB 0.290 29.803 29.460 0.087 0.000 1.205 34 W HN -0.106 nan 8.180 nan 0.000 0.551 35 F N 5.902 125.981 119.950 0.216 0.000 2.469 35 F HA 0.497 5.024 4.527 0.000 0.000 0.332 35 F C -1.878 173.987 175.800 0.109 0.000 1.103 35 F CA -2.894 55.171 58.000 0.109 0.000 0.979 35 F CB 1.150 40.171 39.000 0.034 0.000 1.137 35 F HN 0.083 nan 8.300 nan 0.000 0.463 36 P HA 0.280 nan 4.420 nan 0.000 0.276 36 P C -0.654 176.267 177.300 -0.632 0.000 1.252 36 P CA -0.359 61.977 63.100 -1.273 0.000 0.802 36 P CB 0.770 31.950 31.700 -0.867 0.000 1.035 37 G N -0.303 108.117 108.800 -0.634 0.000 2.448 37 G HA2 0.497 4.457 3.960 0.000 0.000 0.285 37 G HA3 0.497 4.457 3.960 0.000 0.000 0.285 37 G C -0.766 173.933 174.900 -0.335 0.000 1.176 37 G CA -0.559 44.353 45.100 -0.314 0.000 0.852 37 G HN 0.451 nan 8.290 nan 0.000 0.530 38 V N -0.340 119.427 119.914 -0.245 0.000 3.676 38 V HA -0.215 3.905 4.120 0.000 0.000 0.524 38 V C 0.091 176.049 176.094 -0.228 0.000 0.682 38 V CA 0.519 62.678 62.300 -0.235 0.000 2.082 38 V CB -0.552 31.083 31.823 -0.313 0.000 2.492 38 V HN 1.073 nan 8.190 nan 0.000 0.515 39 R N 2.772 123.173 120.500 -0.165 0.000 2.476 39 R HA 0.758 5.098 4.340 0.000 0.000 0.305 39 R C -0.726 175.513 176.300 -0.102 0.000 0.965 39 R CA -0.747 55.246 56.100 -0.178 0.000 0.867 39 R CB 1.838 32.052 30.300 -0.142 0.000 1.176 39 R HN 0.642 nan 8.270 nan 0.000 0.447 40 I N 2.817 123.292 120.570 -0.157 0.000 2.437 40 I HA 0.353 4.523 4.170 0.000 0.000 0.298 40 I C -0.678 175.386 176.117 -0.088 0.000 0.984 40 I CA -0.630 60.661 61.300 -0.015 0.000 1.214 40 I CB 1.018 39.019 38.000 0.001 0.000 1.365 40 I HN 0.427 nan 8.210 nan 0.000 0.469 41 Y N 3.498 123.921 120.300 0.205 0.000 2.524 41 Y HA 0.428 4.978 4.550 0.000 0.000 0.344 41 Y C -0.164 176.048 175.900 0.521 0.000 1.012 41 Y CA -0.571 57.695 58.100 0.276 0.000 1.068 41 Y CB 1.672 40.225 38.460 0.156 0.000 1.249 41 Y HN 0.464 nan 8.280 nan 0.000 0.468 42 H N 1.272 120.578 119.070 0.394 0.000 2.529 42 H HA 0.618 5.174 4.556 0.000 0.000 0.348 42 H C -1.553 173.671 175.328 -0.173 0.000 1.079 42 H CA -0.270 55.816 56.048 0.064 0.000 1.198 42 H CB 1.945 31.630 29.762 -0.128 0.000 1.521 42 H HN 0.633 nan 8.280 nan 0.000 0.514 43 S N 3.398 118.599 115.700 -0.831 0.000 2.540 43 S HA 0.256 4.726 4.470 0.000 0.000 0.275 43 S C 0.284 174.547 174.600 -0.560 0.000 1.123 43 S CA -0.767 56.870 58.200 -0.939 0.000 0.907 43 S CB 1.694 63.571 63.200 -2.204 0.000 1.081 43 S HN 0.775 nan 8.310 nan 0.000 0.476 44 K N 1.383 121.652 120.400 -0.218 0.000 2.244 44 K HA 0.045 4.365 4.320 0.000 0.000 0.200 44 K C 0.726 177.256 176.600 -0.117 0.000 1.052 44 K CA 0.859 57.118 56.287 -0.047 0.000 0.980 44 K CB -0.040 32.453 32.500 -0.011 0.000 0.838 44 K HN 0.749 nan 8.250 nan 0.000 0.481 45 D N 0.638 120.881 120.400 -0.261 0.000 2.350 45 D HA -0.025 4.615 4.640 0.000 0.000 0.213 45 D C 1.150 177.238 176.300 -0.353 0.000 1.031 45 D CA 0.091 53.928 54.000 -0.271 0.000 0.861 45 D CB -0.049 40.608 40.800 -0.240 0.000 0.926 45 D HN 0.129 nan 8.370 nan 0.000 0.520 46 L N -1.538 119.368 121.223 -0.528 0.000 5.174 46 L HA -0.338 4.002 4.340 0.000 0.000 0.420 46 L C 1.647 178.482 176.870 -0.058 0.000 0.973 46 L CA 1.567 56.174 54.840 -0.388 0.000 1.381 46 L CB -1.272 40.583 42.059 -0.341 0.000 1.819 46 L HN 0.295 nan 8.230 nan 0.000 0.645 47 K N 0.351 120.643 120.400 -0.181 0.000 2.306 47 K HA 0.145 4.465 4.320 0.000 0.000 0.200 47 K C 0.676 177.313 176.600 0.061 0.000 1.083 47 K CA 0.317 56.612 56.287 0.014 0.000 0.959 47 K CB 0.436 32.911 32.500 -0.042 0.000 0.994 47 K HN 0.308 nan 8.250 nan 0.000 0.492 48 N N 0.446 119.088 118.700 -0.097 0.000 2.400 48 N HA 0.148 4.888 4.740 0.000 0.000 0.288 48 N C -1.540 174.020 175.510 0.085 0.000 1.024 48 N CA -0.344 52.788 53.050 0.136 0.000 0.894 48 N CB 1.002 39.557 38.487 0.113 0.000 1.173 48 N HN 0.072 nan 8.380 nan 0.000 0.487 49 W N 1.245 122.696 121.300 0.251 0.000 2.844 49 W HA 0.421 5.081 4.660 0.000 0.000 0.340 49 W C 0.021 176.523 176.519 -0.029 0.000 1.093 49 W CA -0.937 56.448 57.345 0.067 0.000 1.212 49 W CB 1.335 30.796 29.460 0.001 0.000 1.422 49 W HN 0.312 nan 8.180 nan 0.000 0.515 50 R N 1.896 122.354 120.500 -0.071 0.000 2.599 50 R HA 0.720 5.060 4.340 0.000 0.000 0.295 50 R C -1.067 175.281 176.300 0.080 0.000 0.963 50 R CA -1.207 54.849 56.100 -0.073 0.000 0.883 50 R CB 1.509 31.497 30.300 -0.521 0.000 1.171 50 R HN 0.487 nan 8.270 nan 0.000 0.450 51 L N 4.530 125.768 121.223 0.025 0.000 2.638 51 L HA -0.013 4.327 4.340 0.000 0.000 0.273 51 L C 0.629 177.439 176.870 -0.100 0.000 1.147 51 L CA 0.394 55.030 54.840 -0.340 0.000 0.941 51 L CB 1.032 42.795 42.059 -0.493 0.000 1.251 51 L HN 0.819 nan 8.230 nan 0.000 0.479 52 V N 2.348 122.187 119.914 -0.126 0.000 2.788 52 V HA 0.606 4.726 4.120 0.000 0.000 0.241 52 V C 0.809 176.869 176.094 -0.057 0.000 1.083 52 V CA 0.500 62.770 62.300 -0.049 0.000 1.103 52 V CB -0.668 31.145 31.823 -0.017 0.000 0.800 52 V HN 0.815 nan 8.190 nan 0.000 0.476 53 A N 0.576 123.333 122.820 -0.104 0.000 2.393 53 A HA 0.852 5.172 4.320 0.000 0.000 0.306 53 A C -0.302 177.184 177.584 -0.163 0.000 1.050 53 A CA -0.861 51.123 52.037 -0.088 0.000 0.724 53 A CB 1.328 20.301 19.000 -0.045 0.000 1.248 53 A HN 0.410 nan 8.150 nan 0.000 0.424 54 R N 2.655 123.064 120.500 -0.152 0.000 2.651 54 R HA 0.278 4.618 4.340 0.000 0.000 0.282 54 R C -2.382 173.752 176.300 -0.277 0.000 1.565 54 R CA -1.384 54.579 56.100 -0.229 0.000 1.661 54 R CB 1.048 31.226 30.300 -0.202 0.000 1.189 54 R HN 0.417 nan 8.270 nan 0.000 0.621 55 P HA -0.050 nan 4.420 nan 0.000 0.239 55 P C -0.395 176.540 177.300 -0.609 0.000 1.184 55 P CA 0.847 63.528 63.100 -0.698 0.000 0.760 55 P CB 0.340 31.230 31.700 -1.351 0.000 0.884 56 L N 0.538 121.482 121.223 -0.465 0.000 2.454 56 L HA 0.324 4.664 4.340 0.000 0.000 0.258 56 L C 0.250 176.920 176.870 -0.333 0.000 1.025 56 L CA -0.351 54.269 54.840 -0.367 0.000 0.901 56 L CB 1.012 42.809 42.059 -0.438 0.000 1.210 56 L HN -0.108 nan 8.230 nan 0.000 0.457 57 N N 0.118 118.742 118.700 -0.126 0.000 2.143 57 N HA 0.114 4.855 4.740 0.000 0.000 0.222 57 N C 0.185 175.838 175.510 0.237 0.000 1.264 57 N CA -0.474 52.573 53.050 -0.006 0.000 0.897 57 N CB 0.531 38.987 38.487 -0.051 0.000 1.092 57 N HN 0.281 nan 8.380 nan 0.000 0.516 58 R N 0.612 121.214 120.500 0.170 0.000 2.294 58 R HA 0.354 4.694 4.340 0.000 0.000 0.319 58 R C 0.627 177.000 176.300 0.122 0.000 0.984 58 R CA -0.583 55.593 56.100 0.128 0.000 0.861 58 R CB 1.613 31.956 30.300 0.071 0.000 1.104 58 R HN 0.044 nan 8.270 nan 0.000 0.451 59 L N 1.367 122.624 121.223 0.057 0.000 2.211 59 L HA -0.311 4.029 4.340 0.000 0.000 0.216 59 L C 1.707 178.571 176.870 -0.010 0.000 1.092 59 L CA 1.553 56.381 54.840 -0.020 0.000 0.767 59 L CB -0.181 41.840 42.059 -0.063 0.000 0.894 59 L HN 0.693 nan 8.230 nan 0.000 0.437 60 S N -1.321 114.381 115.700 0.005 0.000 2.428 60 S HA -0.169 4.301 4.470 0.000 0.000 0.230 60 S C 1.790 176.378 174.600 -0.018 0.000 1.014 60 S CA 0.871 59.065 58.200 -0.010 0.000 0.957 60 S CB -0.061 63.140 63.200 0.002 0.000 0.784 60 S HN 0.529 nan 8.310 nan 0.000 0.499 61 Q N -0.447 119.365 119.800 0.019 0.000 2.165 61 Q HA 0.266 4.606 4.340 0.000 0.000 0.197 61 Q C -0.320 175.712 176.000 0.053 0.000 0.952 61 Q CA 0.555 56.379 55.803 0.035 0.000 0.848 61 Q CB 0.249 29.005 28.738 0.030 0.000 0.931 61 Q HN 0.263 nan 8.270 nan 0.000 0.470 62 L N 1.468 122.745 121.223 0.089 0.000 2.518 62 L HA 0.391 4.731 4.340 0.000 0.000 0.262 62 L C -1.719 175.192 176.870 0.068 0.000 0.982 62 L CA -0.356 54.573 54.840 0.149 0.000 0.873 62 L CB 1.659 43.892 42.059 0.291 0.000 1.198 62 L HN -0.090 nan 8.230 nan 0.000 0.427 63 N N 5.341 124.050 118.700 0.015 0.000 2.511 63 N HA 0.428 5.168 4.740 0.000 0.000 0.249 63 N C -0.232 175.261 175.510 -0.029 0.000 0.971 63 N CA -0.136 52.885 53.050 -0.048 0.000 0.938 63 N CB 1.063 39.522 38.487 -0.047 0.000 1.131 63 N HN 0.698 nan 8.380 nan 0.000 0.505 64 M N 2.874 122.427 119.600 -0.078 0.000 2.416 64 M HA 0.286 4.766 4.480 0.000 0.000 0.337 64 M C 0.463 176.695 176.300 -0.114 0.000 1.074 64 M CA -0.483 54.786 55.300 -0.053 0.000 0.968 64 M CB 0.730 33.331 32.600 0.000 0.000 1.472 64 M HN 0.395 nan 8.290 nan 0.000 0.539 65 I N 1.271 121.765 120.570 -0.126 0.000 2.775 65 I HA -0.019 4.151 4.170 0.000 0.000 0.290 65 I C 1.376 177.354 176.117 -0.232 0.000 1.203 65 I CA 1.622 62.833 61.300 -0.148 0.000 1.433 65 I CB 0.609 38.581 38.000 -0.047 0.000 1.354 65 I HN 0.686 nan 8.210 nan 0.000 0.579 66 G N 4.283 112.746 108.800 -0.563 0.000 2.196 66 G HA2 -0.352 3.608 3.960 0.000 0.000 0.268 66 G HA3 -0.352 3.608 3.960 0.000 0.000 0.268 66 G C 0.404 175.066 174.900 -0.395 0.000 0.975 66 G CA 0.339 44.933 45.100 -0.843 0.000 0.648 66 G HN 0.675 nan 8.290 nan 0.000 0.538 67 N N 1.970 120.526 118.700 -0.239 0.000 2.294 67 N HA 0.284 5.024 4.740 0.000 0.000 0.248 67 N C -1.685 173.755 175.510 -0.116 0.000 1.242 67 N CA -0.351 52.628 53.050 -0.119 0.000 0.848 67 N CB 0.656 39.114 38.487 -0.049 0.000 1.084 67 N HN 0.291 nan 8.380 nan 0.000 0.457 68 P HA 0.069 nan 4.420 nan 0.000 0.274 68 P C -0.772 176.528 177.300 -0.001 0.000 1.231 68 P CA -0.274 62.810 63.100 -0.027 0.000 0.790 68 P CB 0.562 32.271 31.700 0.015 0.000 0.951 69 D N 0.938 121.321 120.400 -0.027 0.000 2.533 69 D HA -0.036 4.604 4.640 0.000 0.000 0.236 69 D C 0.748 177.062 176.300 0.023 0.000 1.137 69 D CA 1.019 54.998 54.000 -0.035 0.000 0.867 69 D CB -0.230 40.537 40.800 -0.054 0.000 1.170 69 D HN 0.302 nan 8.370 nan 0.000 0.474 70 S N -0.077 115.651 115.700 0.046 0.000 3.445 70 S HA -0.153 4.317 4.470 0.000 0.000 0.319 70 S C 0.867 175.822 174.600 0.592 0.000 1.209 70 S CA 0.807 59.110 58.200 0.171 0.000 0.934 70 S CB -1.181 61.943 63.200 -0.127 0.000 0.999 70 S HN 0.760 nan 8.310 nan 0.000 0.582 71 G N 0.083 109.159 108.800 0.460 0.000 2.630 71 G HA2 0.717 4.677 3.960 0.000 0.000 0.223 71 G HA3 0.717 4.677 3.960 0.000 0.000 0.223 71 G C 0.869 176.075 174.900 0.509 0.000 1.434 71 G CA 0.306 45.704 45.100 0.497 0.000 1.057 71 G HN 1.520 nan 8.290 nan 0.000 0.570 72 G N -1.859 107.092 108.800 0.251 0.000 2.509 72 G HA2 -0.123 3.837 3.960 0.000 0.000 0.259 72 G HA3 -0.123 3.837 3.960 0.000 0.000 0.259 72 G C 0.037 175.077 174.900 0.233 0.000 1.169 72 G CA 0.207 45.440 45.100 0.221 0.000 0.953 72 G HN 1.515 nan 8.290 nan 0.000 0.563 73 V N 1.333 121.351 119.914 0.174 0.000 2.387 73 V HA 0.411 4.531 4.120 0.000 0.000 0.260 73 V C 0.817 176.786 176.094 -0.208 0.000 1.054 73 V CA -0.095 62.249 62.300 0.074 0.000 0.967 73 V CB -0.019 31.826 31.823 0.037 0.000 1.036 73 V HN 0.496 nan 8.190 nan 0.000 0.481 74 W N 2.500 123.570 121.300 -0.384 0.000 1.707 74 W HA 0.580 5.240 4.660 0.000 0.000 0.601 74 W C 1.034 177.370 176.519 -0.305 0.000 1.890 74 W CA -0.524 56.515 57.345 -0.511 0.000 2.128 74 W CB -0.058 29.282 29.460 -0.199 0.000 2.771 74 W HN 0.526 nan 8.180 nan 0.000 0.796 75 A N 3.728 126.629 122.820 0.135 0.000 2.522 75 A HA 0.305 4.625 4.320 0.000 0.000 0.256 75 A C -2.109 175.606 177.584 0.217 0.000 1.086 75 A CA -0.760 51.356 52.037 0.132 0.000 0.763 75 A CB -1.178 17.979 19.000 0.262 0.000 1.024 75 A HN 0.153 nan 8.150 nan 0.000 0.502 76 P HA 0.341 nan 4.420 nan 0.000 0.284 76 P C -1.047 176.465 177.300 0.352 0.000 1.258 76 P CA -0.159 63.080 63.100 0.232 0.000 0.824 76 P CB 1.132 32.901 31.700 0.116 0.000 1.038 77 H N 1.637 120.854 119.070 0.245 0.000 2.505 77 H HA 0.607 5.163 4.556 0.000 0.000 0.338 77 H C -1.539 173.952 175.328 0.271 0.000 1.057 77 H CA -0.839 55.377 56.048 0.281 0.000 1.202 77 H CB 0.724 30.653 29.762 0.278 0.000 1.466 77 H HN 0.184 nan 8.280 nan 0.000 0.499 78 L N 4.799 126.040 121.223 0.031 0.000 2.349 78 L HA 0.596 4.936 4.340 0.000 0.000 0.278 78 L C -0.731 176.140 176.870 0.002 0.000 0.996 78 L CA -0.058 54.833 54.840 0.084 0.000 0.825 78 L CB 1.156 43.355 42.059 0.233 0.000 1.243 78 L HN 0.812 nan 8.230 nan 0.000 0.412 79 S N 3.613 119.381 115.700 0.113 0.000 2.806 79 S HA 0.702 5.172 4.470 0.000 0.000 0.306 79 S C -1.333 173.486 174.600 0.365 0.000 1.167 79 S CA -0.645 57.679 58.200 0.207 0.000 0.847 79 S CB 1.448 64.716 63.200 0.113 0.000 1.216 79 S HN 0.592 nan 8.310 nan 0.000 0.532 80 Y N 0.018 120.362 120.300 0.074 0.000 2.361 80 Y HA 0.656 5.206 4.550 0.000 0.000 0.328 80 Y C -0.785 174.981 175.900 -0.224 0.000 1.044 80 Y CA -0.081 57.986 58.100 -0.056 0.000 1.085 80 Y CB 1.767 40.096 38.460 -0.217 0.000 1.194 80 Y HN 0.981 nan 8.280 nan 0.000 0.438 81 S N 3.676 119.192 115.700 -0.306 0.000 2.550 81 S HA 0.304 4.774 4.470 0.000 0.000 0.270 81 S C -1.564 172.992 174.600 -0.074 0.000 1.145 81 S CA -0.605 57.411 58.200 -0.306 0.000 0.852 81 S CB 0.887 63.435 63.200 -1.088 0.000 1.119 81 S HN 0.856 nan 8.310 nan 0.000 0.465 82 D N 2.075 122.459 120.400 -0.026 0.000 2.692 82 D HA -0.189 4.451 4.640 0.000 0.000 0.233 82 D C 0.953 177.209 176.300 -0.072 0.000 1.172 82 D CA 1.726 55.731 54.000 0.008 0.000 0.636 82 D CB -1.686 39.158 40.800 0.074 0.000 1.028 82 D HN 1.450 nan 8.370 nan 0.000 0.419 83 G N -0.300 108.418 108.800 -0.137 0.000 2.179 83 G HA2 -0.349 3.611 3.960 0.000 0.000 0.260 83 G HA3 -0.349 3.611 3.960 0.000 0.000 0.260 83 G C 0.165 174.744 174.900 -0.535 0.000 0.977 83 G CA 0.809 45.797 45.100 -0.188 0.000 0.641 83 G HN 0.776 nan 8.290 nan 0.000 0.533 84 K N -0.550 119.365 120.400 -0.809 0.000 2.422 84 K HA 0.704 5.024 4.320 0.000 0.000 0.251 84 K C -0.760 175.428 176.600 -0.686 0.000 0.933 84 K CA -1.311 54.563 56.287 -0.688 0.000 0.798 84 K CB 1.642 33.843 32.500 -0.499 0.000 1.238 84 K HN -0.051 nan 8.250 nan 0.000 0.428 85 F N 1.494 121.237 119.950 -0.345 0.000 2.495 85 F HA 0.177 4.704 4.527 0.000 0.000 0.365 85 F C -0.360 175.597 175.800 0.263 0.000 1.090 85 F CA 0.267 58.319 58.000 0.087 0.000 1.235 85 F CB 0.377 39.429 39.000 0.086 0.000 1.119 85 F HN 0.403 nan 8.300 nan 0.000 0.562 86 W N 5.514 127.015 121.300 0.333 0.000 2.587 86 W HA 0.577 5.237 4.660 0.000 0.000 0.324 86 W C -1.242 175.446 176.519 0.281 0.000 1.040 86 W CA -0.980 56.544 57.345 0.300 0.000 1.222 86 W CB 1.167 30.762 29.460 0.224 0.000 1.381 86 W HN 0.123 nan 8.180 nan 0.000 0.483 87 L N 6.131 127.626 121.223 0.452 0.000 2.366 87 L HA 0.504 4.844 4.340 0.000 0.000 0.266 87 L C -0.884 176.188 176.870 0.337 0.000 1.010 87 L CA -0.765 54.223 54.840 0.247 0.000 0.879 87 L CB 0.031 42.028 42.059 -0.103 0.000 1.228 87 L HN 0.192 nan 8.230 nan 0.000 0.439 88 I N 5.434 126.203 120.570 0.332 0.000 2.395 88 I HA 0.345 4.515 4.170 0.000 0.000 0.289 88 I C -0.157 176.190 176.117 0.384 0.000 1.023 88 I CA -0.377 61.115 61.300 0.319 0.000 1.350 88 I CB 0.234 38.411 38.000 0.295 0.000 1.409 88 I HN 0.691 nan 8.210 nan 0.000 0.507 89 Y N 2.520 122.906 120.300 0.143 0.000 2.689 89 Y HA 0.729 5.279 4.550 0.000 0.000 0.333 89 Y C -1.079 174.903 175.900 0.136 0.000 1.208 89 Y CA -0.989 57.194 58.100 0.139 0.000 1.055 89 Y CB 1.450 39.978 38.460 0.113 0.000 1.304 89 Y HN 0.405 nan 8.280 nan 0.000 0.455 90 T N 1.859 116.553 114.554 0.234 0.000 2.886 90 T HA 0.293 4.643 4.350 0.000 0.000 0.292 90 T C -1.956 172.858 174.700 0.190 0.000 1.012 90 T CA -0.557 61.585 62.100 0.070 0.000 0.982 90 T CB 1.491 70.373 68.868 0.023 0.000 1.018 90 T HN 0.666 nan 8.240 nan 0.000 0.451 91 D N 2.538 123.047 120.400 0.183 0.000 2.392 91 D HA 0.432 5.072 4.640 0.000 0.000 0.228 91 D C -0.667 175.617 176.300 -0.026 0.000 1.074 91 D CA -0.399 53.716 54.000 0.191 0.000 0.838 91 D CB 0.896 41.916 40.800 0.366 0.000 1.067 91 D HN 0.180 nan 8.370 nan 0.000 0.511 92 V N 5.672 125.488 119.914 -0.163 0.000 2.427 92 V HA 0.291 4.411 4.120 0.000 0.000 0.286 92 V C 1.155 177.133 176.094 -0.194 0.000 1.034 92 V CA -0.577 61.491 62.300 -0.386 0.000 0.893 92 V CB 1.655 32.905 31.823 -0.955 0.000 0.982 92 V HN 0.447 nan 8.190 nan 0.000 0.452 93 K N 2.628 122.906 120.400 -0.203 0.000 2.313 93 K HA 0.292 4.612 4.320 0.000 0.000 0.197 93 K C -0.014 176.530 176.600 -0.093 0.000 1.061 93 K CA 0.634 56.858 56.287 -0.105 0.000 0.980 93 K CB 0.932 33.382 32.500 -0.084 0.000 0.888 93 K HN 0.455 nan 8.250 nan 0.000 0.502 94 V N 2.403 122.230 119.914 -0.144 0.000 2.483 94 V HA 0.188 4.308 4.120 0.000 0.000 0.297 94 V C 0.393 176.433 176.094 -0.090 0.000 1.027 94 V CA -0.649 61.599 62.300 -0.086 0.000 0.855 94 V CB 1.846 33.624 31.823 -0.076 0.000 0.995 94 V HN 0.033 nan 8.190 nan 0.000 0.424 95 V N 0.724 120.649 119.914 0.018 0.000 3.253 95 V HA 0.569 4.689 4.120 0.000 0.000 0.320 95 V C 0.144 176.316 176.094 0.130 0.000 1.442 95 V CA 0.110 62.482 62.300 0.120 0.000 1.097 95 V CB 0.011 31.988 31.823 0.256 0.000 1.008 95 V HN 0.799 nan 8.190 nan 0.000 0.463 96 E N 0.222 120.482 120.200 0.100 0.000 2.331 96 E HA 0.642 4.992 4.350 0.000 0.000 0.275 96 E C 0.081 176.771 176.600 0.150 0.000 0.895 96 E CA -0.054 56.418 56.400 0.120 0.000 0.753 96 E CB 2.311 32.065 29.700 0.089 0.000 1.216 96 E HN 0.635 nan 8.360 nan 0.000 0.434 97 G N 1.569 110.475 108.800 0.177 0.000 2.447 97 G HA2 -0.221 3.739 3.960 0.000 0.000 0.220 97 G HA3 -0.221 3.739 3.960 0.000 0.000 0.220 97 G C 0.203 175.241 174.900 0.230 0.000 1.261 97 G CA -0.588 44.635 45.100 0.204 0.000 1.000 97 G HN 0.419 nan 8.290 nan 0.000 0.515 98 Q N -0.734 119.163 119.800 0.161 0.000 2.436 98 Q HA 0.083 4.423 4.340 0.000 0.000 0.209 98 Q C 0.528 176.548 176.000 0.035 0.000 0.965 98 Q CA 1.032 56.793 55.803 -0.069 0.000 0.910 98 Q CB 0.192 28.580 28.738 -0.585 0.000 0.980 98 Q HN 0.486 nan 8.270 nan 0.000 0.491 99 W N -0.049 121.415 121.300 0.274 0.000 2.781 99 W HA 0.365 5.025 4.660 0.000 0.000 0.345 99 W C 0.334 176.608 176.519 -0.408 0.000 1.085 99 W CA -0.828 56.535 57.345 0.030 0.000 1.198 99 W CB 1.303 30.741 29.460 -0.037 0.000 1.423 99 W HN -0.257 nan 8.180 nan 0.000 0.532 100 K N 1.562 121.560 120.400 -0.671 0.000 3.239 100 K HA 0.127 4.447 4.320 0.000 0.000 0.204 100 K C -0.729 175.550 176.600 -0.535 0.000 1.126 100 K CA -0.154 55.683 56.287 -0.750 0.000 0.948 100 K CB -0.371 31.373 32.500 -1.260 0.000 0.818 100 K HN 0.129 nan 8.250 nan 0.000 0.480 101 D N 0.970 121.169 120.400 -0.336 0.000 2.662 101 D HA 0.208 4.848 4.640 0.000 0.000 0.233 101 D C 0.429 176.457 176.300 -0.453 0.000 1.129 101 D CA 1.162 54.960 54.000 -0.336 0.000 0.851 101 D CB 0.871 41.532 40.800 -0.233 0.000 1.152 101 D HN 0.510 nan 8.370 nan 0.000 0.507 102 G N 1.616 110.044 108.800 -0.621 0.000 2.579 102 G HA2 0.372 4.332 3.960 0.000 0.000 0.292 102 G HA3 0.372 4.332 3.960 0.000 0.000 0.292 102 G C -1.720 172.709 174.900 -0.784 0.000 1.484 102 G CA -0.844 43.860 45.100 -0.661 0.000 0.813 102 G HN 0.449 nan 8.290 nan 0.000 0.515 103 H N 0.930 119.883 119.070 -0.195 0.000 2.589 103 H HA 0.400 4.956 4.556 0.000 0.000 0.351 103 H C -0.652 174.288 175.328 -0.647 0.000 1.074 103 H CA -0.853 54.999 56.048 -0.326 0.000 1.203 103 H CB 2.067 31.689 29.762 -0.233 0.000 1.558 103 H HN 0.346 nan 8.280 nan 0.000 0.522 104 N N 2.862 121.235 118.700 -0.546 0.000 2.419 104 N HA 0.155 4.895 4.740 0.000 0.000 0.264 104 N C -0.621 174.411 175.510 -0.796 0.000 1.031 104 N CA -0.057 52.662 53.050 -0.552 0.000 0.951 104 N CB 0.856 39.144 38.487 -0.332 0.000 1.101 104 N HN 0.428 nan 8.380 nan 0.000 0.488 105 Y N 0.498 120.524 120.300 -0.457 0.000 2.650 105 Y HA 0.609 5.159 4.550 0.000 0.000 0.331 105 Y C -0.004 175.694 175.900 -0.337 0.000 1.082 105 Y CA -1.269 56.543 58.100 -0.480 0.000 1.171 105 Y CB 1.105 39.112 38.460 -0.755 0.000 1.326 105 Y HN 0.268 nan 8.280 nan 0.000 0.513 106 L N 2.342 123.616 121.223 0.084 0.000 2.409 106 L HA 0.842 5.182 4.340 0.000 0.000 0.272 106 L C -1.285 175.751 176.870 0.275 0.000 0.980 106 L CA -0.964 53.984 54.840 0.179 0.000 0.826 106 L CB 1.524 43.624 42.059 0.068 0.000 1.268 106 L HN 0.465 nan 8.230 nan 0.000 0.407 107 V N 1.295 121.423 119.914 0.357 0.000 2.914 107 V HA 1.015 5.135 4.120 0.000 0.000 0.314 107 V C -0.238 176.085 176.094 0.383 0.000 1.084 107 V CA 0.180 62.668 62.300 0.315 0.000 0.963 107 V CB 1.618 33.613 31.823 0.287 0.000 1.025 107 V HN 1.025 nan 8.190 nan 0.000 0.432 108 T N -0.321 114.443 114.554 0.350 0.000 2.865 108 T HA 0.814 5.164 4.350 0.000 0.000 0.294 108 T C -0.741 173.910 174.700 -0.081 0.000 1.119 108 T CA -0.587 61.616 62.100 0.171 0.000 1.007 108 T CB 1.609 70.317 68.868 -0.267 0.000 1.225 108 T HN 1.292 nan 8.240 nan 0.000 0.515 109 C N -0.154 118.791 119.300 -0.591 0.000 3.318 109 C HA 0.628 5.088 4.460 0.000 0.000 0.322 109 C C 0.233 174.926 174.990 -0.494 0.000 1.398 109 C CA -0.385 58.163 59.018 -0.784 0.000 1.339 109 C CB 1.493 28.198 27.740 -1.726 0.000 1.668 109 C HN 1.096 nan 8.230 nan 0.000 0.462 110 D N 0.373 120.558 120.400 -0.358 0.000 2.201 110 D HA 0.104 4.744 4.640 0.000 0.000 0.209 110 D C 0.879 177.128 176.300 -0.085 0.000 0.961 110 D CA 1.320 55.195 54.000 -0.209 0.000 0.861 110 D CB 0.091 40.796 40.800 -0.159 0.000 0.997 110 D HN 0.802 nan 8.370 nan 0.000 0.486 111 T N -1.051 113.397 114.554 -0.176 0.000 2.907 111 T HA 0.256 4.606 4.350 0.000 0.000 0.284 111 T C 1.295 175.779 174.700 -0.361 0.000 1.004 111 T CA -0.723 61.308 62.100 -0.115 0.000 1.063 111 T CB 1.911 70.700 68.868 -0.132 0.000 0.992 111 T HN -0.167 nan 8.240 nan 0.000 0.483 112 I N 1.235 121.547 120.570 -0.431 0.000 2.335 112 I HA -0.129 4.041 4.170 0.000 0.000 0.251 112 I C 1.069 177.017 176.117 -0.282 0.000 1.129 112 I CA 1.619 62.422 61.300 -0.830 0.000 1.402 112 I CB -0.154 37.245 38.000 -1.002 0.000 1.069 112 I HN 0.868 nan 8.210 nan 0.000 0.424 113 D N -1.494 118.784 120.400 -0.204 0.000 2.623 113 D HA 0.260 4.900 4.640 0.000 0.000 0.252 113 D C 0.670 176.926 176.300 -0.074 0.000 1.294 113 D CA 0.105 54.063 54.000 -0.071 0.000 0.824 113 D CB -0.531 40.226 40.800 -0.072 0.000 1.070 113 D HN 0.262 nan 8.370 nan 0.000 0.487 114 G N 0.027 108.724 108.800 -0.172 0.000 2.890 114 G HA2 0.554 4.514 3.960 0.000 0.000 0.189 114 G HA3 0.554 4.514 3.960 0.000 0.000 0.189 114 G C -0.592 174.259 174.900 -0.082 0.000 1.342 114 G CA -0.572 44.442 45.100 -0.144 0.000 1.026 114 G HN 0.268 nan 8.290 nan 0.000 0.579 115 A N -0.576 122.190 122.820 -0.089 0.000 2.415 115 A HA 0.510 4.830 4.320 0.000 0.000 0.309 115 A C -0.730 176.827 177.584 -0.046 0.000 1.356 115 A CA -0.527 51.504 52.037 -0.011 0.000 0.998 115 A CB -0.528 18.464 19.000 -0.013 0.000 1.145 115 A HN 0.391 nan 8.150 nan 0.000 0.545 116 W N 2.289 123.549 121.300 -0.066 0.000 2.150 116 W HA 0.356 5.016 4.660 0.000 0.000 0.341 116 W C 1.232 177.725 176.519 -0.044 0.000 1.276 116 W CA 0.579 57.886 57.345 -0.063 0.000 1.238 116 W CB 0.665 30.080 29.460 -0.075 0.000 1.128 116 W HN 0.809 nan 8.180 nan 0.000 0.581 117 S N 0.916 116.727 115.700 0.184 0.000 2.606 117 S HA 0.112 4.582 4.470 0.000 0.000 0.257 117 S C -0.128 174.545 174.600 0.121 0.000 1.327 117 S CA -0.845 57.416 58.200 0.102 0.000 0.984 117 S CB 0.603 63.838 63.200 0.058 0.000 0.941 117 S HN 0.406 nan 8.310 nan 0.000 0.576 118 D N 2.219 122.667 120.400 0.080 0.000 2.341 118 D HA 0.388 5.028 4.640 0.000 0.000 0.245 118 D C -2.276 174.080 176.300 0.093 0.000 1.106 118 D CA -1.061 52.982 54.000 0.072 0.000 0.905 118 D CB 0.608 41.433 40.800 0.042 0.000 1.202 118 D HN 0.363 nan 8.370 nan 0.000 0.426 119 P HA 0.252 nan 4.420 nan 0.000 0.275 119 P C -0.356 177.038 177.300 0.156 0.000 1.228 119 P CA -0.149 63.027 63.100 0.128 0.000 0.786 119 P CB 0.673 32.372 31.700 -0.001 0.000 0.927 120 I N 2.912 123.603 120.570 0.202 0.000 2.388 120 I HA 0.185 4.355 4.170 0.000 0.000 0.281 120 I C 0.096 176.372 176.117 0.266 0.000 1.046 120 I CA -1.011 60.425 61.300 0.228 0.000 1.187 120 I CB 0.154 38.285 38.000 0.218 0.000 1.351 120 I HN 0.339 nan 8.210 nan 0.000 0.472 121 Y N 6.584 127.025 120.300 0.235 0.000 2.811 121 Y HA -0.035 4.515 4.550 0.000 0.000 0.334 121 Y C 0.229 176.170 175.900 0.068 0.000 1.247 121 Y CA 0.690 58.886 58.100 0.161 0.000 1.526 121 Y CB 0.647 39.191 38.460 0.139 0.000 1.284 121 Y HN 0.511 nan 8.280 nan 0.000 0.586 122 L N 3.303 123.989 121.223 -0.895 0.000 2.614 122 L HA 0.288 4.628 4.340 0.000 0.000 0.185 122 L C -0.103 176.334 176.870 -0.721 0.000 1.098 122 L CA 0.106 54.616 54.840 -0.550 0.000 0.852 122 L CB -0.141 41.722 42.059 -0.326 0.000 1.213 122 L HN 0.743 nan 8.230 nan 0.000 0.491 123 N N -2.588 115.557 118.700 -0.925 0.000 3.308 123 N HA 0.180 4.920 4.740 0.000 0.000 0.276 123 N C -0.636 174.710 175.510 -0.272 0.000 1.533 123 N CA -0.387 52.387 53.050 -0.460 0.000 0.878 123 N CB 1.401 39.799 38.487 -0.148 0.000 1.566 123 N HN -0.196 nan 8.380 nan 0.000 0.546 124 S N -1.150 114.535 115.700 -0.026 0.000 2.893 124 S HA 0.097 4.567 4.470 0.000 0.000 0.258 124 S C 0.621 175.145 174.600 -0.127 0.000 1.034 124 S CA 0.165 58.353 58.200 -0.019 0.000 1.167 124 S CB -0.269 63.042 63.200 0.185 0.000 1.137 124 S HN 0.710 nan 8.310 nan 0.000 0.650 125 S N 1.219 116.842 115.700 -0.129 0.000 2.603 125 S HA 0.509 4.979 4.470 0.000 0.000 0.220 125 S C 0.919 175.354 174.600 -0.275 0.000 0.967 125 S CA 0.346 58.403 58.200 -0.237 0.000 0.920 125 S CB 0.266 63.345 63.200 -0.201 0.000 0.773 125 S HN 0.642 nan 8.310 nan 0.000 0.529 126 G N 0.434 109.104 108.800 -0.216 0.000 2.321 126 G HA2 0.391 4.351 3.960 0.000 0.000 0.298 126 G HA3 0.391 4.351 3.960 0.000 0.000 0.298 126 G C -0.793 173.982 174.900 -0.209 0.000 1.385 126 G CA -0.663 44.267 45.100 -0.283 0.000 0.856 126 G HN 0.374 nan 8.290 nan 0.000 0.584 127 F N -0.967 118.944 119.950 -0.065 0.000 2.355 127 F HA 0.762 5.289 4.527 0.000 0.000 0.340 127 F C 1.321 177.183 175.800 0.103 0.000 1.067 127 F CA -0.695 57.305 58.000 0.000 0.000 1.116 127 F CB 0.131 39.153 39.000 0.035 0.000 1.582 127 F HN 1.867 nan 8.300 nan 0.000 0.512 128 G N 1.054 110.131 108.800 0.462 0.000 2.372 128 G HA2 -0.163 3.797 3.960 0.000 0.000 0.297 128 G HA3 -0.163 3.797 3.960 0.000 0.000 0.297 128 G C -2.721 172.238 174.900 0.099 0.000 1.005 128 G CA -0.401 44.872 45.100 0.289 0.000 1.173 128 G HN 0.608 nan 8.290 nan 0.000 0.511 129 P HA 0.533 nan 4.420 nan 0.000 0.278 129 P C -0.264 177.052 177.300 0.028 0.000 1.238 129 P CA -0.208 62.915 63.100 0.039 0.000 0.794 129 P CB 2.116 33.835 31.700 0.032 0.000 0.955 130 S N 1.525 117.206 115.700 -0.031 0.000 2.575 130 S HA 0.489 4.959 4.470 0.000 0.000 0.278 130 S C -1.341 173.287 174.600 0.047 0.000 1.139 130 S CA -0.555 57.555 58.200 -0.150 0.000 0.954 130 S CB 0.459 63.439 63.200 -0.366 0.000 1.054 130 S HN 0.306 nan 8.310 nan 0.000 0.483 131 L N 4.878 126.276 121.223 0.292 0.000 2.264 131 L HA 0.652 4.992 4.340 0.000 0.000 0.289 131 L C -1.095 175.770 176.870 -0.007 0.000 1.044 131 L CA -0.322 54.576 54.840 0.097 0.000 0.807 131 L CB 0.767 42.814 42.059 -0.021 0.000 1.192 131 L HN 0.663 nan 8.230 nan 0.000 0.425 132 F N 5.026 124.884 119.950 -0.153 0.000 2.325 132 F HA 0.389 4.916 4.527 0.000 0.000 0.369 132 F C -0.134 175.616 175.800 -0.083 0.000 1.095 132 F CA -0.592 57.343 58.000 -0.108 0.000 1.082 132 F CB 0.057 39.068 39.000 0.017 0.000 1.289 132 F HN 0.475 nan 8.300 nan 0.000 0.462 133 H N 3.970 122.780 119.070 -0.433 0.000 3.160 133 H HA 0.077 4.633 4.556 0.000 0.000 0.257 133 H C -0.266 174.642 175.328 -0.699 0.000 1.140 133 H CA -0.047 55.713 56.048 -0.479 0.000 1.492 133 H CB 0.089 29.616 29.762 -0.392 0.000 1.529 133 H HN 0.531 nan 8.280 nan 0.000 0.490 134 D N 2.421 122.551 120.400 -0.449 0.000 2.302 134 D HA -0.004 4.636 4.640 0.000 0.000 0.248 134 D C 1.193 177.476 176.300 -0.028 0.000 1.094 134 D CA -0.402 53.426 54.000 -0.286 0.000 0.897 134 D CB 1.071 41.982 40.800 0.184 0.000 1.200 134 D HN 0.390 nan 8.370 nan 0.000 0.429 135 E N 1.725 121.954 120.200 0.049 0.000 2.108 135 E HA -0.241 4.109 4.350 0.000 0.000 0.203 135 E C 1.060 177.698 176.600 0.064 0.000 1.022 135 E CA 1.333 57.770 56.400 0.061 0.000 0.823 135 E CB -0.216 29.535 29.700 0.086 0.000 0.744 135 E HN 0.646 nan 8.360 nan 0.000 0.456 136 D N -0.433 120.028 120.400 0.101 0.000 2.358 136 D HA -0.016 4.624 4.640 0.000 0.000 0.241 136 D C 1.259 177.604 176.300 0.075 0.000 1.094 136 D CA 0.933 54.990 54.000 0.095 0.000 0.907 136 D CB -0.334 40.542 40.800 0.127 0.000 0.893 136 D HN 0.284 nan 8.370 nan 0.000 0.528 137 G N 0.069 108.902 108.800 0.054 0.000 2.179 137 G HA2 -0.316 3.644 3.960 0.000 0.000 0.260 137 G HA3 -0.316 3.644 3.960 0.000 0.000 0.260 137 G C 0.451 175.370 174.900 0.031 0.000 0.977 137 G CA 0.081 45.202 45.100 0.034 0.000 0.641 137 G HN 0.439 nan 8.290 nan 0.000 0.533 138 R N 0.128 120.658 120.500 0.051 0.000 2.637 138 R HA 0.628 4.968 4.340 0.000 0.000 0.269 138 R C 0.089 176.334 176.300 -0.091 0.000 1.089 138 R CA 0.111 56.195 56.100 -0.027 0.000 1.177 138 R CB 0.499 30.811 30.300 0.020 0.000 1.091 138 R HN 0.307 nan 8.270 nan 0.000 0.540 139 K N 0.738 120.973 120.400 -0.276 0.000 2.426 139 K HA 0.441 4.761 4.320 0.000 0.000 0.251 139 K C -1.541 174.817 176.600 -0.404 0.000 0.941 139 K CA -0.506 55.676 56.287 -0.175 0.000 0.808 139 K CB 1.921 34.458 32.500 0.062 0.000 1.265 139 K HN 0.386 nan 8.250 nan 0.000 0.432 140 Y N 1.244 121.615 120.300 0.118 0.000 2.421 140 Y HA 0.426 4.976 4.550 0.000 0.000 0.339 140 Y C -1.038 174.912 175.900 0.085 0.000 0.996 140 Y CA -0.956 57.226 58.100 0.137 0.000 1.046 140 Y CB 1.543 40.106 38.460 0.172 0.000 1.226 140 Y HN 0.304 nan 8.280 nan 0.000 0.445 141 L N 5.023 126.368 121.223 0.204 0.000 2.282 141 L HA 0.760 5.100 4.340 0.000 0.000 0.288 141 L C -0.688 176.225 176.870 0.071 0.000 1.033 141 L CA -0.662 54.240 54.840 0.103 0.000 0.807 141 L CB 1.027 43.117 42.059 0.052 0.000 1.209 141 L HN 0.490 nan 8.230 nan 0.000 0.423 142 V N 3.109 123.031 119.914 0.015 0.000 2.581 142 V HA 0.792 4.912 4.120 0.000 0.000 0.303 142 V C -0.651 175.419 176.094 -0.039 0.000 1.041 142 V CA -0.593 61.685 62.300 -0.037 0.000 0.907 142 V CB 1.640 33.398 31.823 -0.108 0.000 0.994 142 V HN 0.926 nan 8.190 nan 0.000 0.442 143 N N 2.623 121.306 118.700 -0.027 0.000 3.020 143 N HA 0.460 5.200 4.740 0.000 0.000 0.248 143 N C -0.855 174.638 175.510 -0.027 0.000 1.480 143 N CA -0.897 52.132 53.050 -0.036 0.000 0.874 143 N CB 2.031 40.495 38.487 -0.037 0.000 1.433 143 N HN 0.869 nan 8.380 nan 0.000 0.530 144 M N -0.689 118.853 119.600 -0.097 0.000 2.242 144 M HA 0.396 4.876 4.480 0.000 0.000 0.344 144 M C -0.991 175.286 176.300 -0.038 0.000 1.140 144 M CA -0.054 55.191 55.300 -0.092 0.000 1.160 144 M CB 0.078 32.535 32.600 -0.238 0.000 1.491 144 M HN 0.491 nan 8.290 nan 0.000 0.459 145 Y N 3.770 124.035 120.300 -0.059 0.000 2.404 145 Y HA 0.315 4.865 4.550 0.000 0.000 0.344 145 Y C -0.960 174.917 175.900 -0.038 0.000 0.970 145 Y CA -0.391 57.699 58.100 -0.017 0.000 1.180 145 Y CB 0.602 39.113 38.460 0.085 0.000 1.138 145 Y HN 0.793 nan 8.280 nan 0.000 0.510 146 W N 7.322 128.341 121.300 -0.467 0.000 2.272 146 W HA 0.216 4.876 4.660 0.000 0.000 0.318 146 W C -1.014 175.304 176.519 -0.334 0.000 1.255 146 W CA -0.141 56.958 57.345 -0.409 0.000 1.200 146 W CB 1.230 30.462 29.460 -0.382 0.000 1.170 146 W HN 0.507 nan 8.180 nan 0.000 0.549 147 D N 4.575 124.430 120.400 -0.909 0.000 2.471 147 D HA 0.019 4.659 4.640 0.000 0.000 0.245 147 D C 1.219 177.010 176.300 -0.849 0.000 1.116 147 D CA -0.244 53.359 54.000 -0.662 0.000 0.853 147 D CB 0.691 41.227 40.800 -0.440 0.000 1.123 147 D HN 0.553 nan 8.370 nan 0.000 0.540 148 H N 2.618 121.362 119.070 -0.544 0.000 2.547 148 H HA 0.154 4.710 4.556 0.000 0.000 0.272 148 H C -0.087 174.931 175.328 -0.516 0.000 0.989 148 H CA -0.000 55.698 56.048 -0.583 0.000 1.214 148 H CB 0.148 29.381 29.762 -0.882 0.000 1.389 148 H HN 0.123 nan 8.280 nan 0.000 0.577 149 R N 0.901 120.793 120.500 -1.014 0.000 2.543 149 R HA 0.101 4.441 4.340 0.000 0.000 0.277 149 R C 1.445 177.589 176.300 -0.259 0.000 1.074 149 R CA 0.055 55.731 56.100 -0.707 0.000 1.076 149 R CB 1.160 31.001 30.300 -0.765 0.000 0.993 149 R HN -0.075 nan 8.270 nan 0.000 0.459 150 V N 1.827 121.656 119.914 -0.141 0.000 2.380 150 V HA -0.283 3.838 4.120 0.000 0.000 0.251 150 V C 1.017 177.118 176.094 0.012 0.000 1.063 150 V CA 2.309 64.579 62.300 -0.049 0.000 1.055 150 V CB -0.595 31.218 31.823 -0.017 0.000 0.657 150 V HN 0.865 nan 8.190 nan 0.000 0.455 151 D N -2.024 118.437 120.400 0.102 0.000 2.324 151 D HA 0.043 4.683 4.640 0.000 0.000 0.235 151 D C 0.362 176.577 176.300 -0.141 0.000 1.095 151 D CA 0.147 54.156 54.000 0.014 0.000 0.871 151 D CB -0.450 40.333 40.800 -0.028 0.000 0.906 151 D HN 0.577 nan 8.370 nan 0.000 0.522 152 H N -1.470 117.542 119.070 -0.097 0.000 2.851 152 H HA 0.333 4.889 4.556 0.000 0.000 0.372 152 H C -1.010 174.277 175.328 -0.067 0.000 1.158 152 H CA -1.024 54.976 56.048 -0.080 0.000 1.159 152 H CB 1.048 30.730 29.762 -0.134 0.000 1.757 152 H HN -0.039 nan 8.280 nan 0.000 0.546 153 H N 3.664 122.732 119.070 -0.004 0.000 2.803 153 H HA 0.112 4.668 4.556 0.000 0.000 0.330 153 H C -1.791 173.480 175.328 -0.095 0.000 1.057 153 H CA -1.950 54.081 56.048 -0.029 0.000 1.458 153 H CB 0.997 30.750 29.762 -0.015 0.000 1.470 153 H HN 0.433 nan 8.280 nan 0.000 0.560 154 P HA -0.129 nan 4.420 nan 0.000 0.215 154 P C -0.215 176.488 177.300 -0.994 0.000 1.157 154 P CA 1.204 63.628 63.100 -1.127 0.000 0.863 154 P CB 0.087 30.895 31.700 -1.487 0.000 0.787 155 F N -0.956 118.460 119.950 -0.890 0.000 2.556 155 F HA 0.053 4.580 4.527 0.000 0.000 0.344 155 F C 1.510 177.226 175.800 -0.141 0.000 1.255 155 F CA -0.310 57.471 58.000 -0.365 0.000 1.091 155 F CB -0.672 38.232 39.000 -0.161 0.000 1.325 155 F HN -0.054 nan 8.300 nan 0.000 0.627 156 Y N 2.235 122.483 120.300 -0.086 0.000 2.578 156 Y HA 0.301 4.851 4.550 0.000 0.000 0.297 156 Y C 1.286 177.201 175.900 0.024 0.000 1.176 156 Y CA 0.683 58.783 58.100 0.001 0.000 1.315 156 Y CB -0.189 38.304 38.460 0.055 0.000 1.031 156 Y HN 0.642 nan 8.280 nan 0.000 0.524 157 G N 0.086 108.959 108.800 0.122 0.000 2.255 157 G HA2 -0.030 3.930 3.960 0.000 0.000 0.216 157 G HA3 -0.030 3.930 3.960 0.000 0.000 0.216 157 G C -1.542 173.414 174.900 0.094 0.000 1.307 157 G CA -0.412 44.703 45.100 0.024 0.000 1.162 157 G HN -0.039 nan 8.290 nan 0.000 0.494 158 I N 0.840 121.451 120.570 0.068 0.000 2.466 158 I HA 0.599 4.769 4.170 0.000 0.000 0.289 158 I C -0.163 175.970 176.117 0.026 0.000 1.026 158 I CA -0.797 60.539 61.300 0.059 0.000 1.078 158 I CB 1.051 39.085 38.000 0.057 0.000 1.249 158 I HN 0.560 nan 8.210 nan 0.000 0.429 159 V N 7.561 127.500 119.914 0.041 0.000 2.435 159 V HA 0.517 4.637 4.120 0.000 0.000 0.290 159 V C -0.920 175.171 176.094 -0.004 0.000 1.030 159 V CA -0.595 61.721 62.300 0.026 0.000 0.881 159 V CB 2.257 34.143 31.823 0.103 0.000 0.983 159 V HN 0.561 nan 8.190 nan 0.000 0.445 160 L N 6.370 127.570 121.223 -0.038 0.000 2.322 160 L HA 0.660 5.000 4.340 0.000 0.000 0.281 160 L C -0.473 176.441 176.870 0.073 0.000 1.014 160 L CA 0.462 55.262 54.840 -0.065 0.000 0.815 160 L CB 1.528 43.386 42.059 -0.335 0.000 1.247 160 L HN 0.840 nan 8.230 nan 0.000 0.421 161 Q N 2.670 122.560 119.800 0.150 0.000 2.377 161 Q HA 0.314 4.654 4.340 0.000 0.000 0.279 161 Q C -1.403 174.759 176.000 0.270 0.000 1.049 161 Q CA -0.719 55.218 55.803 0.224 0.000 0.825 161 Q CB 2.091 30.926 28.738 0.162 0.000 1.401 161 Q HN 0.720 nan 8.270 nan 0.000 0.404 162 E N 1.778 122.124 120.200 0.243 0.000 2.338 162 E HA 0.044 4.394 4.350 0.000 0.000 0.272 162 E C -1.511 175.135 176.600 0.077 0.000 1.029 162 E CA -0.171 56.234 56.400 0.008 0.000 0.872 162 E CB 0.654 30.285 29.700 -0.115 0.000 1.015 162 E HN 0.451 nan 8.360 nan 0.000 0.417 163 Y N 3.004 123.248 120.300 -0.095 0.000 2.320 163 Y HA 0.205 4.755 4.550 0.000 0.000 0.334 163 Y C -0.371 175.515 175.900 -0.023 0.000 1.055 163 Y CA -0.508 57.583 58.100 -0.015 0.000 1.143 163 Y CB 1.531 40.014 38.460 0.039 0.000 1.193 163 Y HN 0.331 nan 8.280 nan 0.000 0.477 164 S N 5.164 120.570 115.700 -0.491 0.000 2.411 164 S HA 0.274 4.744 4.470 0.000 0.000 0.294 164 S C 0.728 174.908 174.600 -0.700 0.000 1.115 164 S CA -0.676 57.270 58.200 -0.423 0.000 1.071 164 S CB 0.295 63.350 63.200 -0.241 0.000 0.967 164 S HN 0.696 nan 8.310 nan 0.000 0.488 165 V N 4.991 124.686 119.914 -0.364 0.000 2.427 165 V HA -0.116 4.004 4.120 0.000 0.000 0.248 165 V C 2.409 178.436 176.094 -0.112 0.000 1.051 165 V CA 2.102 64.315 62.300 -0.146 0.000 1.048 165 V CB -0.827 31.072 31.823 0.128 0.000 0.666 165 V HN 0.891 nan 8.190 nan 0.000 0.456 166 E N 0.978 121.116 120.200 -0.103 0.000 2.017 166 E HA -0.253 4.097 4.350 0.000 0.000 0.193 166 E C 2.201 178.754 176.600 -0.078 0.000 0.997 166 E CA 1.837 58.199 56.400 -0.064 0.000 0.804 166 E CB -0.305 29.365 29.700 -0.049 0.000 0.757 166 E HN 0.681 nan 8.360 nan 0.000 0.448 167 Q N -0.142 119.586 119.800 -0.119 0.000 2.389 167 Q HA 0.014 4.354 4.340 0.000 0.000 0.204 167 Q C 0.051 175.999 176.000 -0.087 0.000 0.944 167 Q CA 0.852 56.603 55.803 -0.087 0.000 0.908 167 Q CB 0.133 28.823 28.738 -0.080 0.000 1.002 167 Q HN 0.221 nan 8.270 nan 0.000 0.493 168 K N 0.878 121.163 120.400 -0.191 0.000 3.160 168 K HA -0.238 4.082 4.320 0.000 0.000 0.280 168 K C -0.324 176.315 176.600 0.066 0.000 1.154 168 K CA 1.232 57.476 56.287 -0.071 0.000 0.822 168 K CB -1.774 30.780 32.500 0.090 0.000 1.239 168 K HN 0.379 nan 8.250 nan 0.000 0.489 169 K N -0.358 120.002 120.400 -0.068 0.000 2.261 169 K HA 0.684 5.004 4.320 0.000 0.000 0.242 169 K C -0.597 176.051 176.600 0.079 0.000 1.083 169 K CA -1.268 55.072 56.287 0.089 0.000 0.880 169 K CB 1.388 33.930 32.500 0.070 0.000 1.353 169 K HN -0.010 nan 8.250 nan 0.000 0.486 170 L N 1.419 122.730 121.223 0.146 0.000 2.343 170 L HA 0.551 4.892 4.340 0.000 0.000 0.275 170 L C -0.290 176.627 176.870 0.079 0.000 1.056 170 L CA -1.165 53.759 54.840 0.140 0.000 0.804 170 L CB 1.698 43.844 42.059 0.145 0.000 1.203 170 L HN 0.578 nan 8.230 nan 0.000 0.440 171 V N -1.096 118.860 119.914 0.070 0.000 2.962 171 V HA 0.998 5.118 4.120 0.000 0.000 0.313 171 V C 0.094 176.235 176.094 0.078 0.000 1.099 171 V CA -0.260 62.072 62.300 0.053 0.000 0.971 171 V CB 1.121 32.954 31.823 0.017 0.000 1.028 171 V HN 1.020 nan 8.190 nan 0.000 0.430 172 G N 1.298 110.139 108.800 0.068 0.000 2.881 172 G HA2 -0.153 3.807 3.960 0.000 0.000 0.681 172 G HA3 -0.153 3.807 3.960 0.000 0.000 0.681 172 G C -0.274 174.681 174.900 0.091 0.000 1.567 172 G CA 0.148 45.292 45.100 0.074 0.000 1.013 172 G HN 1.294 nan 8.290 nan 0.000 0.580 173 E N 1.521 121.769 120.200 0.080 0.000 2.465 173 E HA 0.116 4.466 4.350 0.000 0.000 0.260 173 E C -1.298 175.372 176.600 0.117 0.000 0.980 173 E CA -0.536 55.914 56.400 0.084 0.000 0.927 173 E CB 0.590 30.326 29.700 0.060 0.000 0.934 173 E HN 0.358 nan 8.360 nan 0.000 0.459 174 P HA 0.198 nan 4.420 nan 0.000 0.274 174 P C -1.028 176.333 177.300 0.102 0.000 1.237 174 P CA -0.082 63.092 63.100 0.122 0.000 0.793 174 P CB 0.924 32.689 31.700 0.108 0.000 0.977 175 K N 0.885 121.352 120.400 0.113 0.000 2.542 175 K HA 0.428 4.748 4.320 0.000 0.000 0.259 175 K C -0.623 175.996 176.600 0.033 0.000 0.932 175 K CA -0.805 55.541 56.287 0.098 0.000 0.820 175 K CB 1.712 34.356 32.500 0.240 0.000 1.345 175 K HN 0.297 nan 8.250 nan 0.000 0.432 176 I N 4.743 125.310 120.570 -0.006 0.000 2.471 176 I HA 0.072 4.242 4.170 0.000 0.000 0.286 176 I C 1.131 177.266 176.117 0.030 0.000 1.079 176 I CA 0.299 61.589 61.300 -0.016 0.000 1.398 176 I CB 0.180 38.152 38.000 -0.046 0.000 1.403 176 I HN 0.665 nan 8.210 nan 0.000 0.530 177 I N 3.595 124.172 120.570 0.012 0.000 3.927 177 I HA 0.433 4.603 4.170 0.000 0.000 0.332 177 I C -0.477 175.713 176.117 0.121 0.000 1.485 177 I CA -0.088 61.235 61.300 0.038 0.000 1.131 177 I CB 0.379 38.309 38.000 -0.117 0.000 1.092 177 I HN 0.292 nan 8.210 nan 0.000 0.410 178 F N 1.393 121.277 119.950 -0.109 0.000 2.625 178 F HA 0.269 4.796 4.527 0.000 0.000 0.311 178 F C -0.307 175.432 175.800 -0.102 0.000 0.999 178 F CA -0.970 56.957 58.000 -0.121 0.000 1.056 178 F CB 1.101 39.965 39.000 -0.227 0.000 1.311 178 F HN -0.204 nan 8.300 nan 0.000 0.548 179 K N 3.043 123.151 120.400 -0.487 0.000 2.379 179 K HA 0.491 4.811 4.320 0.000 0.000 0.194 179 K C 0.833 177.047 176.600 -0.644 0.000 1.031 179 K CA 0.761 56.764 56.287 -0.473 0.000 1.037 179 K CB -0.052 32.242 32.500 -0.343 0.000 0.824 179 K HN 1.094 nan 8.250 nan 0.000 0.516 180 G N 1.204 109.188 108.800 -1.359 0.000 2.712 180 G HA2 -0.248 3.712 3.960 0.000 0.000 0.683 180 G HA3 -0.248 3.712 3.960 0.000 0.000 0.683 180 G C -0.040 174.505 174.900 -0.591 0.000 1.320 180 G CA -0.323 44.160 45.100 -1.029 0.000 0.847 180 G HN 0.198 nan 8.290 nan 0.000 0.553 181 T N -2.507 111.881 114.554 -0.275 0.000 2.810 181 T HA 0.511 4.861 4.350 0.000 0.000 0.277 181 T C 1.548 176.142 174.700 -0.177 0.000 0.973 181 T CA 0.889 62.890 62.100 -0.165 0.000 0.949 181 T CB 1.208 70.027 68.868 -0.082 0.000 1.075 181 T HN 1.342 nan 8.240 nan 0.000 0.537 182 D N 0.077 120.383 120.400 -0.157 0.000 2.354 182 D HA -0.134 4.506 4.640 0.000 0.000 0.216 182 D C 1.717 177.899 176.300 -0.198 0.000 0.970 182 D CA 0.857 54.755 54.000 -0.171 0.000 0.905 182 D CB -0.653 40.060 40.800 -0.145 0.000 0.903 182 D HN 0.542 nan 8.370 nan 0.000 0.508 183 L N -0.714 120.396 121.223 -0.188 0.000 2.201 183 L HA -0.051 4.289 4.340 0.000 0.000 0.212 183 L C 1.347 178.082 176.870 -0.225 0.000 1.105 183 L CA 0.398 55.114 54.840 -0.206 0.000 0.775 183 L CB -0.225 41.731 42.059 -0.172 0.000 0.913 183 L HN -0.039 nan 8.230 nan 0.000 0.440 184 R N -0.932 119.441 120.500 -0.212 0.000 3.724 184 R HA -0.265 4.075 4.340 0.000 0.000 0.526 184 R C 0.851 177.076 176.300 -0.124 0.000 0.241 184 R CA 1.264 57.252 56.100 -0.188 0.000 1.638 184 R CB -1.448 28.550 30.300 -0.502 0.000 0.980 184 R HN 0.306 nan 8.270 nan 0.000 0.575 185 I N -1.032 119.542 120.570 0.007 0.000 6.532 185 I HA -0.260 3.910 4.170 0.000 0.000 0.126 185 I C 0.039 175.947 176.117 -0.348 0.000 1.811 185 I CA 1.194 62.115 61.300 -0.632 0.000 2.115 185 I CB -2.075 35.549 38.000 -0.626 0.000 3.474 185 I HN 0.458 nan 8.210 nan 0.000 0.192 186 T N 2.605 117.161 114.554 0.003 0.000 2.779 186 T HA 0.443 4.793 4.350 0.000 0.000 0.296 186 T C 0.531 175.382 174.700 0.251 0.000 0.938 186 T CA 0.188 62.345 62.100 0.096 0.000 1.119 186 T CB 1.142 70.033 68.868 0.038 0.000 0.891 186 T HN 0.738 nan 8.240 nan 0.000 0.526 187 E N 1.555 121.869 120.200 0.190 0.000 2.109 187 E HA 0.570 4.920 4.350 0.000 0.000 0.168 187 E C 0.582 177.208 176.600 0.043 0.000 1.133 187 E CA -1.212 55.314 56.400 0.209 0.000 0.857 187 E CB -0.287 29.686 29.700 0.454 0.000 2.101 187 E HN 0.447 nan 8.360 nan 0.000 0.480 188 G N 2.503 111.299 108.800 -0.006 0.000 2.318 188 G HA2 -0.175 3.785 3.960 0.000 0.000 0.272 188 G HA3 -0.175 3.785 3.960 0.000 0.000 0.272 188 G C -2.159 172.523 174.900 -0.362 0.000 0.845 188 G CA 0.439 45.379 45.100 -0.268 0.000 1.153 188 G HN 0.318 nan 8.290 nan 0.000 0.460 189 P HA 0.256 nan 4.420 nan 0.000 0.275 189 P C -0.399 176.612 177.300 -0.482 0.000 1.228 189 P CA 0.060 63.002 63.100 -0.264 0.000 0.786 189 P CB 1.168 32.774 31.700 -0.157 0.000 0.927 190 H N 1.557 120.593 119.070 -0.057 0.000 2.759 190 H HA 0.385 4.941 4.556 0.000 0.000 0.354 190 H C -0.277 174.920 175.328 -0.218 0.000 1.074 190 H CA -0.620 55.344 56.048 -0.141 0.000 1.226 190 H CB 1.511 31.318 29.762 0.074 0.000 1.648 190 H HN 0.318 nan 8.280 nan 0.000 0.529 191 L N 3.282 124.340 121.223 -0.274 0.000 2.325 191 L HA 0.383 4.723 4.340 0.000 0.000 0.279 191 L C -0.944 175.656 176.870 -0.449 0.000 1.054 191 L CA -0.556 54.058 54.840 -0.376 0.000 0.804 191 L CB 0.674 42.303 42.059 -0.716 0.000 1.200 191 L HN 0.495 nan 8.230 nan 0.000 0.436 192 Y N 1.628 122.036 120.300 0.180 0.000 2.534 192 Y HA 0.426 4.976 4.550 0.000 0.000 0.345 192 Y C -0.518 175.642 175.900 0.433 0.000 1.031 192 Y CA -1.124 57.211 58.100 0.393 0.000 1.022 192 Y CB 1.883 40.572 38.460 0.382 0.000 1.292 192 Y HN 0.269 nan 8.280 nan 0.000 0.459 193 K N 4.169 124.943 120.400 0.624 0.000 2.425 193 K HA 0.701 5.021 4.320 0.000 0.000 0.259 193 K C -1.774 174.994 176.600 0.280 0.000 0.978 193 K CA -0.303 56.225 56.287 0.402 0.000 0.883 193 K CB 0.297 33.052 32.500 0.425 0.000 1.110 193 K HN 0.630 nan 8.250 nan 0.000 0.436 194 I N 2.177 122.863 120.570 0.193 0.000 2.692 194 I HA 0.333 4.503 4.170 0.000 0.000 0.293 194 I C 0.261 176.413 176.117 0.060 0.000 1.200 194 I CA -1.168 60.152 61.300 0.033 0.000 1.036 194 I CB 1.824 39.654 38.000 -0.284 0.000 1.258 194 I HN 0.739 nan 8.210 nan 0.000 0.421 195 N N 2.262 120.938 118.700 -0.040 0.000 1.227 195 N HA -0.237 4.503 4.740 0.000 0.000 0.098 195 N C 0.957 176.411 175.510 -0.094 0.000 0.781 195 N CA 2.365 55.381 53.050 -0.056 0.000 0.828 195 N CB -0.509 37.956 38.487 -0.037 0.000 0.924 195 N HN 1.089 nan 8.380 nan 0.000 0.694 196 G N -1.259 107.403 108.800 -0.230 0.000 3.562 196 G HA2 0.354 4.314 3.960 0.000 0.000 0.279 196 G HA3 0.354 4.314 3.960 0.000 0.000 0.279 196 G C -1.233 173.396 174.900 -0.452 0.000 1.314 196 G CA 0.311 45.212 45.100 -0.332 0.000 1.189 196 G HN 0.358 nan 8.290 nan 0.000 0.562 197 Y N -1.203 119.040 120.300 -0.095 0.000 2.524 197 Y HA 0.482 5.032 4.550 0.000 0.000 0.347 197 Y C -0.790 175.040 175.900 -0.118 0.000 1.005 197 Y CA -1.876 56.141 58.100 -0.139 0.000 1.025 197 Y CB 1.489 39.839 38.460 -0.183 0.000 1.275 197 Y HN 0.106 nan 8.280 nan 0.000 0.460 198 Y N 1.754 122.119 120.300 0.108 0.000 2.313 198 Y HA 0.350 4.900 4.550 0.000 0.000 0.332 198 Y C -0.931 175.017 175.900 0.080 0.000 1.071 198 Y CA -0.635 57.533 58.100 0.113 0.000 1.169 198 Y CB 0.604 39.041 38.460 -0.038 0.000 1.192 198 Y HN 0.420 nan 8.280 nan 0.000 0.487 199 Y N 4.072 124.566 120.300 0.323 0.000 2.575 199 Y HA 0.298 4.848 4.550 0.000 0.000 0.326 199 Y C -0.669 175.374 175.900 0.239 0.000 0.979 199 Y CA -1.014 57.249 58.100 0.271 0.000 1.286 199 Y CB 0.851 39.475 38.460 0.272 0.000 1.093 199 Y HN 0.410 nan 8.280 nan 0.000 0.501 200 L N 5.730 127.055 121.223 0.170 0.000 2.325 200 L HA 0.393 4.733 4.340 0.000 0.000 0.284 200 L C -0.988 175.856 176.870 -0.044 0.000 1.089 200 L CA -0.470 54.288 54.840 -0.137 0.000 0.836 200 L CB 0.191 41.789 42.059 -0.768 0.000 1.184 200 L HN 0.568 nan 8.230 nan 0.000 0.444 201 L N 5.881 127.176 121.223 0.120 0.000 2.296 201 L HA 0.767 5.107 4.340 0.000 0.000 0.286 201 L C -0.211 176.713 176.870 0.091 0.000 1.023 201 L CA 0.203 55.144 54.840 0.170 0.000 0.812 201 L CB 1.591 43.863 42.059 0.355 0.000 1.223 201 L HN 0.801 nan 8.230 nan 0.000 0.421 202 T N 2.411 117.009 114.554 0.074 0.000 2.893 202 T HA 0.885 5.235 4.350 0.000 0.000 0.291 202 T C -0.150 174.589 174.700 0.064 0.000 1.028 202 T CA -0.451 61.685 62.100 0.060 0.000 0.995 202 T CB 1.524 70.482 68.868 0.150 0.000 1.051 202 T HN 0.868 nan 8.240 nan 0.000 0.470 203 A N 1.688 124.518 122.820 0.017 0.000 2.322 203 A HA 0.739 5.059 4.320 0.000 0.000 0.269 203 A C 0.105 177.747 177.584 0.096 0.000 1.094 203 A CA -0.493 51.592 52.037 0.080 0.000 0.807 203 A CB 0.231 19.288 19.000 0.094 0.000 1.047 203 A HN 0.937 nan 8.150 nan 0.000 0.487 204 E N -1.127 119.150 120.200 0.128 0.000 2.412 204 E HA 0.489 4.839 4.350 0.000 0.000 0.279 204 E C 0.282 176.901 176.600 0.033 0.000 0.984 204 E CA -0.181 56.239 56.400 0.033 0.000 0.788 204 E CB 1.840 31.541 29.700 0.002 0.000 1.277 204 E HN 1.539 nan 8.360 nan 0.000 0.455 205 G N 0.648 109.396 108.800 -0.086 0.000 2.179 205 G HA2 -0.094 3.866 3.960 0.000 0.000 0.260 205 G HA3 -0.094 3.866 3.960 0.000 0.000 0.260 205 G C 0.526 175.356 174.900 -0.118 0.000 0.977 205 G CA 0.249 45.284 45.100 -0.109 0.000 0.641 205 G HN 1.373 nan 8.290 nan 0.000 0.533 206 G N -1.968 106.721 108.800 -0.184 0.000 2.721 206 G HA2 0.249 4.209 3.960 0.000 0.000 0.686 206 G HA3 0.249 4.209 3.960 0.000 0.000 0.686 206 G C 0.307 174.951 174.900 -0.426 0.000 1.236 206 G CA 0.711 45.675 45.100 -0.227 0.000 0.786 206 G HN 1.682 nan 8.290 nan 0.000 0.616 207 T N 1.495 115.774 114.554 -0.459 0.000 3.658 207 T HA 0.270 4.620 4.350 0.000 0.000 0.250 207 T C 1.268 175.877 174.700 -0.152 0.000 1.060 207 T CA 1.542 63.325 62.100 -0.528 0.000 0.962 207 T CB -0.624 68.097 68.868 -0.245 0.000 1.075 207 T HN 0.603 nan 8.240 nan 0.000 0.610 208 R N -1.169 119.254 120.500 -0.128 0.000 3.228 208 R HA 0.403 4.743 4.340 0.000 0.000 0.229 208 R C 0.455 176.705 176.300 -0.085 0.000 1.583 208 R CA -0.841 55.177 56.100 -0.138 0.000 1.035 208 R CB 0.297 30.584 30.300 -0.022 0.000 1.696 208 R HN 0.133 nan 8.270 nan 0.000 0.523 209 Y N 0.586 120.961 120.300 0.124 0.000 2.569 209 Y HA -0.064 4.486 4.550 0.000 0.000 0.293 209 Y C 1.023 177.077 175.900 0.256 0.000 1.144 209 Y CA 1.169 59.373 58.100 0.172 0.000 1.321 209 Y CB -0.441 38.093 38.460 0.123 0.000 0.982 209 Y HN 0.472 nan 8.280 nan 0.000 0.558 210 N N -1.609 117.238 118.700 0.244 0.000 2.270 210 N HA -0.021 4.719 4.740 0.000 0.000 0.198 210 N C 0.005 175.578 175.510 0.105 0.000 1.117 210 N CA -0.145 52.950 53.050 0.075 0.000 0.845 210 N CB -0.067 38.326 38.487 -0.156 0.000 0.980 210 N HN 0.391 nan 8.380 nan 0.000 0.486 211 H N 0.950 120.051 119.070 0.053 0.000 3.038 211 H HA 0.221 4.777 4.556 0.000 0.000 0.338 211 H C -0.258 175.097 175.328 0.045 0.000 1.041 211 H CA -0.264 55.807 56.048 0.038 0.000 1.394 211 H CB 0.509 30.302 29.762 0.051 0.000 1.357 211 H HN 0.208 nan 8.280 nan 0.000 0.600 212 A N 2.882 125.850 122.820 0.247 0.000 2.593 212 A HA 0.706 5.026 4.320 0.000 0.000 0.290 212 A C -1.503 176.076 177.584 -0.008 0.000 1.126 212 A CA -0.168 51.894 52.037 0.041 0.000 0.695 212 A CB 1.395 20.418 19.000 0.038 0.000 1.290 212 A HN 0.806 nan 8.150 nan 0.000 0.414 213 A N 0.355 123.153 122.820 -0.037 0.000 2.331 213 A HA 0.771 5.091 4.320 0.000 0.000 0.320 213 A C -0.111 177.481 177.584 0.012 0.000 1.138 213 A CA -0.314 51.726 52.037 0.004 0.000 0.790 213 A CB 0.801 19.803 19.000 0.004 0.000 1.206 213 A HN 0.834 nan 8.150 nan 0.000 0.470 214 T N 1.786 116.368 114.554 0.047 0.000 2.918 214 T HA 0.670 5.020 4.350 0.000 0.000 0.286 214 T C -0.710 174.036 174.700 0.077 0.000 1.026 214 T CA -0.117 62.013 62.100 0.051 0.000 1.031 214 T CB 1.062 69.987 68.868 0.095 0.000 1.046 214 T HN 0.590 nan 8.240 nan 0.000 0.479 215 I N 1.397 122.018 120.570 0.085 0.000 2.619 215 I HA 0.728 4.898 4.170 0.000 0.000 0.292 215 I C -0.957 175.244 176.117 0.141 0.000 1.100 215 I CA -0.522 60.854 61.300 0.127 0.000 1.043 215 I CB 1.441 39.561 38.000 0.201 0.000 1.239 215 I HN 0.783 nan 8.210 nan 0.000 0.420 216 A N 6.726 129.592 122.820 0.076 0.000 2.437 216 A HA 0.989 5.309 4.320 0.000 0.000 0.292 216 A C -1.138 176.528 177.584 0.137 0.000 1.173 216 A CA -0.699 51.413 52.037 0.126 0.000 0.785 216 A CB 1.750 20.626 19.000 -0.206 0.000 1.351 216 A HN 0.779 nan 8.150 nan 0.000 0.431 217 R N -0.631 119.886 120.500 0.029 0.000 2.739 217 R HA 0.824 5.164 4.340 0.000 0.000 0.271 217 R C -1.256 174.788 176.300 -0.427 0.000 1.010 217 R CA -0.245 55.583 56.100 -0.452 0.000 0.897 217 R CB 1.502 30.878 30.300 -1.540 0.000 1.236 217 R HN 0.927 nan 8.270 nan 0.000 0.466 218 S N -0.780 114.588 115.700 -0.553 0.000 2.570 218 S HA 0.269 4.739 4.470 0.000 0.000 0.270 218 S C 0.514 175.058 174.600 -0.093 0.000 1.149 218 S CA -0.024 57.880 58.200 -0.494 0.000 0.837 218 S CB 1.779 64.262 63.200 -1.196 0.000 1.124 218 S HN 0.784 nan 8.310 nan 0.000 0.465 219 T N 0.440 114.996 114.554 0.003 0.000 2.809 219 T HA 0.161 4.511 4.350 0.000 0.000 0.260 219 T C 0.990 175.746 174.700 0.093 0.000 1.039 219 T CA 0.822 62.937 62.100 0.026 0.000 1.141 219 T CB -0.471 68.385 68.868 -0.021 0.000 0.869 219 T HN 0.379 nan 8.240 nan 0.000 0.437 220 S N 1.302 117.012 115.700 0.017 0.000 2.585 220 S HA 0.385 4.855 4.470 0.000 0.000 0.273 220 S C 0.900 175.478 174.600 -0.036 0.000 1.339 220 S CA -0.656 57.577 58.200 0.055 0.000 1.028 220 S CB 1.169 64.388 63.200 0.032 0.000 0.906 220 S HN 0.381 nan 8.310 nan 0.000 0.528 221 L N 2.617 123.764 121.223 -0.126 0.000 2.291 221 L HA 0.132 4.472 4.340 0.000 0.000 0.214 221 L C 0.607 177.329 176.870 -0.247 0.000 1.120 221 L CA 1.776 56.282 54.840 -0.557 0.000 0.799 221 L CB -0.298 41.302 42.059 -0.766 0.000 0.925 221 L HN 0.762 nan 8.230 nan 0.000 0.446 222 Y N -0.252 119.999 120.300 -0.081 0.000 2.555 222 Y HA 0.519 5.069 4.550 0.000 0.000 0.259 222 Y C 1.349 177.318 175.900 0.115 0.000 1.179 222 Y CA 0.041 58.161 58.100 0.032 0.000 1.230 222 Y CB -0.105 38.353 38.460 -0.003 0.000 1.146 222 Y HN 0.201 nan 8.280 nan 0.000 0.526 223 G N 1.186 110.087 108.800 0.168 0.000 2.782 223 G HA2 -0.207 3.753 3.960 0.000 0.000 0.228 223 G HA3 -0.207 3.753 3.960 0.000 0.000 0.228 223 G C -2.772 172.169 174.900 0.068 0.000 1.372 223 G CA -1.213 43.964 45.100 0.128 0.000 0.862 223 G HN 0.081 nan 8.290 nan 0.000 0.547 224 P HA 0.544 nan 4.420 nan 0.000 0.287 224 P C -0.568 176.802 177.300 0.116 0.000 1.281 224 P CA -0.440 62.755 63.100 0.159 0.000 0.781 224 P CB 0.345 32.119 31.700 0.124 0.000 0.903 225 Y N 1.065 121.387 120.300 0.037 0.000 2.457 225 Y HA 0.141 4.691 4.550 0.000 0.000 0.341 225 Y C 1.554 177.481 175.900 0.046 0.000 1.240 225 Y CA 0.120 58.205 58.100 -0.026 0.000 1.437 225 Y CB 0.513 38.857 38.460 -0.195 0.000 1.328 225 Y HN 0.431 nan 8.280 nan 0.000 0.588 226 E N 0.705 121.009 120.200 0.173 0.000 2.212 226 E HA 0.606 4.956 4.350 0.000 0.000 0.268 226 E C -1.647 175.092 176.600 0.233 0.000 0.902 226 E CA -0.928 55.583 56.400 0.185 0.000 0.779 226 E CB 1.729 31.522 29.700 0.156 0.000 1.172 226 E HN 0.326 nan 8.360 nan 0.000 0.409 227 V N 2.617 122.597 119.914 0.110 0.000 2.649 227 V HA 0.029 4.149 4.120 0.000 0.000 0.292 227 V C 0.588 176.422 176.094 -0.434 0.000 1.055 227 V CA -0.676 61.610 62.300 -0.022 0.000 1.023 227 V CB 0.720 32.553 31.823 0.016 0.000 0.992 227 V HN 0.740 nan 8.190 nan 0.000 0.480 228 H N 8.022 126.568 119.070 -0.872 0.000 3.192 228 H HA -0.000 4.556 4.556 0.000 0.000 0.295 228 H C -1.538 173.261 175.328 -0.881 0.000 0.943 228 H CA -1.441 53.743 56.048 -1.439 0.000 1.416 228 H CB 1.019 30.311 29.762 -0.784 0.000 1.434 228 H HN 0.391 nan 8.280 nan 0.000 0.565 229 P HA -0.052 nan 4.420 nan 0.000 0.234 229 P C -0.123 177.047 177.300 -0.217 0.000 1.167 229 P CA 0.788 63.720 63.100 -0.280 0.000 0.763 229 P CB 0.630 32.209 31.700 -0.200 0.000 0.835 230 D N -0.996 119.180 120.400 -0.373 0.000 2.571 230 D HA 0.076 4.716 4.640 0.000 0.000 0.239 230 D C 0.209 176.142 176.300 -0.612 0.000 1.267 230 D CA -0.411 53.343 54.000 -0.410 0.000 0.823 230 D CB -0.812 39.846 40.800 -0.236 0.000 1.056 230 D HN 0.048 nan 8.370 nan 0.000 0.494 231 N N 2.704 121.042 118.700 -0.603 0.000 2.356 231 N HA 0.036 4.776 4.740 0.000 0.000 0.252 231 N C -2.206 173.161 175.510 -0.238 0.000 1.241 231 N CA -0.361 52.434 53.050 -0.425 0.000 0.861 231 N CB 0.680 39.017 38.487 -0.250 0.000 1.075 231 N HN -0.042 nan 8.380 nan 0.000 0.461 232 P HA 0.076 nan 4.420 nan 0.000 0.281 232 P C 0.504 177.686 177.300 -0.195 0.000 1.249 232 P CA -0.525 62.486 63.100 -0.148 0.000 0.810 232 P CB 1.072 32.739 31.700 -0.055 0.000 1.008 233 L N 2.297 123.424 121.223 -0.160 0.000 2.056 233 L HA 0.137 4.477 4.340 0.000 0.000 0.207 233 L C 0.470 177.286 176.870 -0.089 0.000 1.078 233 L CA 1.745 56.503 54.840 -0.137 0.000 0.749 233 L CB -0.607 41.424 42.059 -0.047 0.000 0.901 233 L HN 0.405 nan 8.230 nan 0.000 0.433 234 L N -1.173 120.006 121.223 -0.074 0.000 2.455 234 L HA 0.658 4.998 4.340 0.000 0.000 0.264 234 L C -1.049 175.782 176.870 -0.066 0.000 0.968 234 L CA 0.182 54.967 54.840 -0.092 0.000 0.827 234 L CB 2.054 44.015 42.059 -0.163 0.000 1.317 234 L HN -0.012 nan 8.230 nan 0.000 0.407 235 T N 1.702 116.253 114.554 -0.005 0.000 3.289 235 T HA 0.282 4.632 4.350 0.000 0.000 0.370 235 T C -0.173 174.672 174.700 0.241 0.000 1.546 235 T CA -0.113 62.049 62.100 0.103 0.000 1.144 235 T CB 1.233 70.196 68.868 0.159 0.000 1.379 235 T HN 0.582 nan 8.240 nan 0.000 0.478 236 S N 2.317 118.164 115.700 0.245 0.000 2.556 236 S HA 0.109 4.579 4.470 0.000 0.000 0.216 236 S C 1.165 175.965 174.600 0.334 0.000 0.970 236 S CA -0.331 58.066 58.200 0.328 0.000 0.912 236 S CB -0.126 63.213 63.200 0.232 0.000 0.790 236 S HN 0.737 nan 8.310 nan 0.000 0.504 237 W N 4.000 125.368 121.300 0.114 0.000 2.354 237 W HA -0.044 4.616 4.660 0.000 0.000 0.315 237 W C -1.832 174.614 176.519 -0.120 0.000 1.206 237 W CA 1.221 58.578 57.345 0.020 0.000 1.290 237 W CB -1.257 28.202 29.460 -0.002 0.000 1.152 237 W HN 0.167 nan 8.180 nan 0.000 0.489 238 P HA -0.023 nan 4.420 nan 0.000 0.253 238 P C -1.105 175.588 177.300 -1.012 0.000 1.281 238 P CA 1.035 63.527 63.100 -1.015 0.000 0.792 238 P CB -0.515 30.615 31.700 -0.951 0.000 1.193 239 Y N -0.378 119.821 120.300 -0.169 0.000 2.562 239 Y HA 0.302 4.852 4.550 0.000 0.000 0.363 239 Y C -1.547 174.298 175.900 -0.093 0.000 0.991 239 Y CA -2.758 55.280 58.100 -0.103 0.000 1.121 239 Y CB 0.510 38.947 38.460 -0.039 0.000 1.159 239 Y HN 0.003 nan 8.280 nan 0.000 0.651 240 P HA -0.071 nan 4.420 nan 0.000 0.230 240 P C 0.860 178.142 177.300 -0.030 0.000 1.158 240 P CA 1.110 64.160 63.100 -0.084 0.000 0.769 240 P CB 0.417 32.017 31.700 -0.166 0.000 0.807 241 R N -1.491 119.015 120.500 0.009 0.000 2.308 241 R HA 0.117 4.457 4.340 0.000 0.000 0.202 241 R C 0.991 177.317 176.300 0.042 0.000 0.898 241 R CA -0.365 55.744 56.100 0.016 0.000 1.046 241 R CB -0.195 30.109 30.300 0.007 0.000 1.026 241 R HN 0.113 nan 8.270 nan 0.000 0.512 242 N N 2.458 121.202 118.700 0.073 0.000 2.357 242 N HA -0.053 4.687 4.740 0.000 0.000 0.257 242 N C -1.561 174.000 175.510 0.085 0.000 1.250 242 N CA -0.582 52.514 53.050 0.076 0.000 0.862 242 N CB 1.136 39.682 38.487 0.098 0.000 1.066 242 N HN -0.006 nan 8.380 nan 0.000 0.468 243 P HA -0.060 nan 4.420 nan 0.000 0.222 243 P C -0.075 177.310 177.300 0.141 0.000 1.147 243 P CA 1.098 64.261 63.100 0.105 0.000 0.790 243 P CB 0.322 32.083 31.700 0.101 0.000 0.780 244 L N 0.320 121.625 121.223 0.138 0.000 2.301 244 L HA 0.343 4.683 4.340 0.000 0.000 0.278 244 L C 0.534 177.507 176.870 0.172 0.000 1.022 244 L CA -0.658 54.279 54.840 0.162 0.000 0.854 244 L CB 1.008 43.163 42.059 0.159 0.000 1.226 244 L HN -0.147 nan 8.230 nan 0.000 0.429 245 Q N 2.048 121.969 119.800 0.201 0.000 2.169 245 Q HA 0.379 4.719 4.340 0.000 0.000 0.234 245 Q C -0.008 176.092 176.000 0.167 0.000 0.980 245 Q CA -0.692 55.251 55.803 0.232 0.000 0.941 245 Q CB 1.347 30.317 28.738 0.386 0.000 1.199 245 Q HN 0.369 nan 8.270 nan 0.000 0.496 246 K N -1.188 119.300 120.400 0.148 0.000 3.125 246 K HA -0.182 4.138 4.320 0.000 0.000 0.268 246 K C -0.702 175.987 176.600 0.148 0.000 1.078 246 K CA 0.574 56.934 56.287 0.120 0.000 0.775 246 K CB -1.962 30.541 32.500 0.005 0.000 1.253 246 K HN 0.612 nan 8.250 nan 0.000 0.486 247 A N 1.020 123.875 122.820 0.059 0.000 2.350 247 A HA 0.644 4.964 4.320 0.000 0.000 0.293 247 A C 0.895 178.263 177.584 -0.359 0.000 1.231 247 A CA 0.764 52.724 52.037 -0.129 0.000 0.883 247 A CB 0.644 19.518 19.000 -0.209 0.000 1.133 247 A HN 0.624 nan 8.150 nan 0.000 0.533 248 G N 0.430 108.905 108.800 -0.543 0.000 2.435 248 G HA2 0.440 4.400 3.960 0.000 0.000 0.296 248 G HA3 0.440 4.400 3.960 0.000 0.000 0.296 248 G C -0.281 174.456 174.900 -0.272 0.000 1.240 248 G CA 0.063 44.737 45.100 -0.709 0.000 0.872 248 G HN 1.461 nan 8.290 nan 0.000 0.480 249 H N -0.757 118.240 119.070 -0.122 0.000 2.680 249 H HA 0.038 4.594 4.556 0.000 0.000 0.328 249 H C 0.295 175.764 175.328 0.236 0.000 1.139 249 H CA 0.739 56.910 56.048 0.205 0.000 1.124 249 H CB -1.026 28.929 29.762 0.322 0.000 1.584 249 H HN 1.330 nan 8.280 nan 0.000 0.410 250 A N 2.079 125.105 122.820 0.343 0.000 2.325 250 A HA 0.740 5.060 4.320 0.000 0.000 0.333 250 A C -0.101 177.701 177.584 0.363 0.000 1.155 250 A CA 0.104 52.339 52.037 0.329 0.000 0.814 250 A CB 1.300 20.439 19.000 0.232 0.000 1.206 250 A HN 0.703 nan 8.150 nan 0.000 0.482 251 S N 0.941 116.799 115.700 0.263 0.000 2.538 251 S HA 0.699 5.169 4.470 0.000 0.000 0.288 251 S C -0.644 174.071 174.600 0.192 0.000 1.108 251 S CA -0.518 57.788 58.200 0.177 0.000 0.971 251 S CB 0.939 64.168 63.200 0.049 0.000 1.041 251 S HN 0.548 nan 8.310 nan 0.000 0.483 252 I N 2.202 122.861 120.570 0.149 0.000 2.428 252 I HA 0.462 4.632 4.170 0.000 0.000 0.289 252 I C -0.436 175.827 176.117 0.245 0.000 1.019 252 I CA -0.814 60.551 61.300 0.109 0.000 1.351 252 I CB 1.538 39.417 38.000 -0.201 0.000 1.412 252 I HN 0.496 nan 8.210 nan 0.000 0.513 253 V N 6.666 126.751 119.914 0.286 0.000 2.487 253 V HA 0.336 4.456 4.120 0.000 0.000 0.298 253 V C -0.643 175.605 176.094 0.256 0.000 1.028 253 V CA -0.464 62.020 62.300 0.307 0.000 0.860 253 V CB 1.555 33.560 31.823 0.304 0.000 0.991 253 V HN 0.645 nan 8.190 nan 0.000 0.427 254 H N 5.085 124.189 119.070 0.056 0.000 2.652 254 H HA 0.449 5.005 4.556 0.000 0.000 0.298 254 H C 0.215 175.556 175.328 0.023 0.000 1.076 254 H CA 0.346 56.274 56.048 -0.200 0.000 1.360 254 H CB 1.295 30.768 29.762 -0.482 0.000 1.421 254 H HN 0.890 nan 8.280 nan 0.000 0.464 255 T N 1.853 116.554 114.554 0.246 0.000 2.828 255 T HA 0.017 4.367 4.350 0.000 0.000 0.290 255 T C 1.792 176.681 174.700 0.315 0.000 1.019 255 T CA -0.500 61.764 62.100 0.275 0.000 1.031 255 T CB 0.703 69.556 68.868 -0.024 0.000 1.001 255 T HN 0.748 nan 8.240 nan 0.000 0.531 256 H N 0.327 119.533 119.070 0.227 0.000 2.421 256 H HA -0.052 4.504 4.556 0.000 0.000 0.298 256 H C 1.237 176.621 175.328 0.094 0.000 1.087 256 H CA 1.542 57.658 56.048 0.114 0.000 1.330 256 H CB -1.650 28.158 29.762 0.077 0.000 1.388 256 H HN 0.723 nan 8.280 nan 0.000 0.526 257 T N 0.333 114.739 114.554 -0.246 0.000 3.722 257 T HA -0.007 4.343 4.350 0.000 0.000 0.247 257 T C 0.141 174.842 174.700 0.002 0.000 1.004 257 T CA 0.379 62.406 62.100 -0.121 0.000 0.947 257 T CB -0.796 67.959 68.868 -0.188 0.000 1.114 257 T HN 0.272 nan 8.240 nan 0.000 0.633 258 D N 1.638 122.095 120.400 0.094 0.000 2.704 258 D HA -0.160 4.480 4.640 0.000 0.000 0.232 258 D C -0.560 175.706 176.300 -0.057 0.000 1.183 258 D CA 0.916 55.011 54.000 0.158 0.000 0.647 258 D CB -1.023 39.859 40.800 0.138 0.000 1.013 258 D HN 0.779 nan 8.370 nan 0.000 0.415 259 E N -0.291 119.822 120.200 -0.146 0.000 2.210 259 E HA 0.453 4.803 4.350 0.000 0.000 0.266 259 E C -0.493 175.989 176.600 -0.197 0.000 0.883 259 E CA -0.824 55.538 56.400 -0.063 0.000 0.761 259 E CB 0.864 30.719 29.700 0.257 0.000 1.156 259 E HN 0.126 nan 8.360 nan 0.000 0.412 260 W N 2.974 124.163 121.300 -0.184 0.000 2.351 260 W HA 0.478 5.138 4.660 0.000 0.000 0.311 260 W C -0.406 175.940 176.519 -0.288 0.000 1.168 260 W CA -0.216 57.056 57.345 -0.123 0.000 1.200 260 W CB 0.509 29.965 29.460 -0.008 0.000 1.221 260 W HN 0.453 nan 8.180 nan 0.000 0.519 261 F N 1.617 121.691 119.950 0.207 0.000 2.706 261 F HA 0.703 5.230 4.527 0.000 0.000 0.328 261 F C -0.849 175.037 175.800 0.144 0.000 1.123 261 F CA -1.433 56.652 58.000 0.142 0.000 0.978 261 F CB 1.401 40.447 39.000 0.076 0.000 1.404 261 F HN -0.051 nan 8.300 nan 0.000 0.497 262 L N 2.232 123.661 121.223 0.343 0.000 2.611 262 L HA 0.564 4.904 4.340 0.000 0.000 0.263 262 L C -1.168 175.843 176.870 0.234 0.000 0.969 262 L CA -0.509 54.479 54.840 0.246 0.000 0.894 262 L CB 1.436 43.613 42.059 0.196 0.000 1.229 262 L HN 0.445 nan 8.230 nan 0.000 0.416 263 V N 1.370 121.390 119.914 0.177 0.000 2.785 263 V HA 0.876 4.996 4.120 0.000 0.000 0.300 263 V C -0.448 175.726 176.094 0.133 0.000 1.062 263 V CA 0.271 62.604 62.300 0.055 0.000 1.029 263 V CB 1.345 33.176 31.823 0.014 0.000 1.024 263 V HN 1.029 nan 8.190 nan 0.000 0.477 264 H N 2.170 121.284 119.070 0.074 0.000 2.967 264 H HA 0.714 5.270 4.556 0.000 0.000 0.318 264 H C -0.939 174.426 175.328 0.062 0.000 1.375 264 H CA -0.869 55.230 56.048 0.085 0.000 1.132 264 H CB 0.861 30.655 29.762 0.053 0.000 1.848 264 H HN 0.949 nan 8.280 nan 0.000 0.524 265 L N -1.056 120.330 121.223 0.272 0.000 2.439 265 L HA 0.884 5.224 4.340 0.000 0.000 0.259 265 L C 0.118 177.173 176.870 0.308 0.000 1.129 265 L CA -0.276 54.691 54.840 0.212 0.000 0.803 265 L CB 1.407 43.587 42.059 0.201 0.000 1.161 265 L HN 0.951 nan 8.230 nan 0.000 0.462 266 T N -0.206 114.478 114.554 0.215 0.000 2.942 266 T HA 0.717 5.067 4.350 0.000 0.000 0.327 266 T C -0.650 174.153 174.700 0.171 0.000 1.360 266 T CA -0.074 62.153 62.100 0.211 0.000 1.055 266 T CB 1.153 70.158 68.868 0.229 0.000 1.261 266 T HN 1.192 nan 8.240 nan 0.000 0.485 267 G N 2.056 110.952 108.800 0.159 0.000 2.416 267 G HA2 0.656 4.616 3.960 0.000 0.000 0.329 267 G HA3 0.656 4.616 3.960 0.000 0.000 0.329 267 G C -1.045 173.980 174.900 0.207 0.000 1.173 267 G CA -0.731 44.467 45.100 0.164 0.000 0.929 267 G HN 0.713 nan 8.290 nan 0.000 0.475 268 R N 2.393 123.049 120.500 0.259 0.000 2.335 268 R HA 0.291 4.631 4.340 0.000 0.000 0.302 268 R C -2.514 173.991 176.300 0.341 0.000 1.147 268 R CA -1.385 54.900 56.100 0.309 0.000 1.111 268 R CB 1.666 32.194 30.300 0.379 0.000 1.122 268 R HN 0.331 nan 8.270 nan 0.000 0.557 269 P HA -0.087 nan 4.420 nan 0.000 0.265 269 P C -0.101 177.289 177.300 0.151 0.000 1.187 269 P CA 0.210 63.443 63.100 0.222 0.000 0.766 269 P CB 0.619 32.411 31.700 0.155 0.000 0.820 270 L N 4.990 126.312 121.223 0.165 0.000 2.467 270 L HA 0.144 4.485 4.340 0.000 0.000 0.270 270 L C -1.529 175.338 176.870 -0.005 0.000 1.205 270 L CA -1.754 53.108 54.840 0.037 0.000 0.828 270 L CB -0.515 41.635 42.059 0.151 0.000 1.101 270 L HN 0.285 nan 8.230 nan 0.000 0.479 271 P HA -0.056 nan 4.420 nan 0.000 0.260 271 P C -0.827 176.471 177.300 -0.003 0.000 1.172 271 P CA 0.392 63.467 63.100 -0.041 0.000 0.760 271 P CB 0.094 31.765 31.700 -0.049 0.000 0.773 272 R N 0.853 121.349 120.500 -0.006 0.000 2.701 272 R HA 0.383 4.723 4.340 0.000 0.000 0.281 272 R C -0.848 175.444 176.300 -0.014 0.000 1.367 272 R CA -0.679 55.419 56.100 -0.003 0.000 1.510 272 R CB 0.002 30.301 30.300 -0.003 0.000 1.306 272 R HN 0.161 nan 8.270 nan 0.000 0.682 273 E N 0.541 120.734 120.200 -0.012 0.000 2.313 273 E HA 0.401 4.751 4.350 0.000 0.000 0.276 273 E C 1.018 177.610 176.600 -0.013 0.000 1.031 273 E CA 0.861 57.253 56.400 -0.013 0.000 0.857 273 E CB 1.244 30.938 29.700 -0.011 0.000 1.040 273 E HN 0.559 nan 8.360 nan 0.000 0.408 274 G N 2.346 111.137 108.800 -0.015 0.000 2.175 274 G HA2 -0.293 3.667 3.960 0.000 0.000 0.244 274 G HA3 -0.293 3.667 3.960 0.000 0.000 0.244 274 G C 0.073 174.964 174.900 -0.015 0.000 0.982 274 G CA -0.215 44.877 45.100 -0.014 0.000 0.641 274 G HN 0.441 nan 8.290 nan 0.000 0.527 275 Q N 0.347 120.137 119.800 -0.017 0.000 2.266 275 Q HA 0.501 4.841 4.340 0.000 0.000 0.261 275 Q C -2.353 173.632 176.000 -0.024 0.000 0.985 275 Q CA -1.877 53.917 55.803 -0.016 0.000 0.873 275 Q CB 1.512 30.243 28.738 -0.012 0.000 1.306 275 Q HN 0.134 nan 8.270 nan 0.000 0.447 276 P HA -0.091 nan 4.420 nan 0.000 0.264 276 P C 0.202 177.472 177.300 -0.051 0.000 1.193 276 P CA 0.012 63.093 63.100 -0.032 0.000 0.763 276 P CB 0.528 32.215 31.700 -0.023 0.000 0.810 277 L N 4.257 125.442 121.223 -0.063 0.000 2.017 277 L HA -0.132 4.208 4.340 0.000 0.000 0.208 277 L C 1.517 178.315 176.870 -0.120 0.000 1.073 277 L CA 1.969 56.756 54.840 -0.088 0.000 0.745 277 L CB -0.525 41.483 42.059 -0.086 0.000 0.894 277 L HN 0.398 nan 8.230 nan 0.000 0.432 278 L N -1.623 119.537 121.223 -0.105 0.000 2.664 278 L HA 0.119 4.459 4.340 0.000 0.000 0.233 278 L C 2.025 178.843 176.870 -0.086 0.000 1.113 278 L CA -0.171 54.597 54.840 -0.119 0.000 0.896 278 L CB -0.008 41.986 42.059 -0.108 0.000 1.163 278 L HN 0.213 nan 8.230 nan 0.000 0.497 279 E N 0.747 120.914 120.200 -0.055 0.000 2.000 279 E HA -0.163 4.188 4.350 0.000 0.000 0.199 279 E C 0.746 177.359 176.600 0.022 0.000 1.011 279 E CA 1.479 57.874 56.400 -0.008 0.000 0.836 279 E CB 0.108 29.813 29.700 0.008 0.000 0.778 279 E HN 0.235 nan 8.360 nan 0.000 0.462 280 H N -0.513 118.492 119.070 -0.107 0.000 2.646 280 H HA 0.331 4.887 4.556 0.000 0.000 0.328 280 H C -0.100 175.062 175.328 -0.275 0.000 0.998 280 H CA -0.513 55.435 56.048 -0.168 0.000 1.225 280 H CB 0.754 30.447 29.762 -0.115 0.000 1.457 280 H HN 0.092 nan 8.280 nan 0.000 0.505 281 R N 2.941 122.886 120.500 -0.926 0.000 2.328 281 R HA 0.158 4.498 4.340 0.000 0.000 0.200 281 R C 0.578 176.385 176.300 -0.821 0.000 0.983 281 R CA 0.526 56.051 56.100 -0.958 0.000 1.062 281 R CB 0.189 29.696 30.300 -1.322 0.000 0.956 281 R HN 0.842 nan 8.270 nan 0.000 0.479 282 G N -0.174 108.119 108.800 -0.845 0.000 2.555 282 G HA2 -0.202 3.758 3.960 0.000 0.000 0.686 282 G HA3 -0.202 3.758 3.960 0.000 0.000 0.686 282 G C -1.431 173.332 174.900 -0.228 0.000 1.275 282 G CA -1.077 43.819 45.100 -0.342 0.000 0.871 282 G HN 0.122 nan 8.290 nan 0.000 0.603 283 Y N -1.112 119.368 120.300 0.300 0.000 2.377 283 Y HA 0.593 5.143 4.550 0.000 0.000 0.339 283 Y C 0.786 176.873 175.900 0.313 0.000 1.011 283 Y CA -0.756 57.551 58.100 0.346 0.000 1.093 283 Y CB 2.092 40.788 38.460 0.395 0.000 1.201 283 Y HN 0.711 nan 8.280 nan 0.000 0.455 284 C N 4.817 124.381 119.300 0.439 0.000 2.521 284 C HA 0.230 4.690 4.460 0.000 0.000 0.291 284 C C -1.482 173.717 174.990 0.350 0.000 1.074 284 C CA -1.444 57.807 59.018 0.389 0.000 1.495 284 C CB 0.504 28.429 27.740 0.308 0.000 1.862 284 C HN 0.652 nan 8.230 nan 0.000 0.418 285 P HA -0.035 nan 4.420 nan 0.000 0.230 285 P C 0.688 178.136 177.300 0.246 0.000 1.158 285 P CA 1.119 64.383 63.100 0.274 0.000 0.769 285 P CB 0.228 32.138 31.700 0.351 0.000 0.807 286 L N -1.812 119.563 121.223 0.252 0.000 2.741 286 L HA 0.310 4.651 4.340 0.000 0.000 0.237 286 L C 1.589 178.560 176.870 0.168 0.000 1.178 286 L CA 0.050 54.979 54.840 0.148 0.000 0.973 286 L CB -0.908 41.140 42.059 -0.017 0.000 1.255 286 L HN 0.053 nan 8.230 nan 0.000 0.498 287 G N 1.796 110.726 108.800 0.217 0.000 2.611 287 G HA2 -0.331 3.629 3.960 0.000 0.000 0.301 287 G HA3 -0.331 3.629 3.960 0.000 0.000 0.301 287 G C 0.134 175.159 174.900 0.208 0.000 1.233 287 G CA 0.002 45.236 45.100 0.224 0.000 0.993 287 G HN 0.424 nan 8.290 nan 0.000 0.553 288 R N 1.062 121.695 120.500 0.222 0.000 2.460 288 R HA 0.598 4.938 4.340 0.000 0.000 0.303 288 R C -0.178 176.240 176.300 0.196 0.000 0.968 288 R CA -0.455 55.766 56.100 0.201 0.000 0.889 288 R CB 1.714 32.133 30.300 0.197 0.000 1.123 288 R HN 0.646 nan 8.270 nan 0.000 0.455 289 E N 0.409 120.693 120.200 0.141 0.000 2.281 289 E HA 0.356 4.706 4.350 0.000 0.000 0.257 289 E C -0.678 175.933 176.600 0.017 0.000 0.971 289 E CA -0.769 55.679 56.400 0.079 0.000 0.839 289 E CB 1.924 31.648 29.700 0.039 0.000 1.238 289 E HN 0.356 nan 8.360 nan 0.000 0.412 290 T N 0.569 115.062 114.554 -0.102 0.000 2.859 290 T HA 0.732 5.082 4.350 0.000 0.000 0.281 290 T C -0.826 173.723 174.700 -0.252 0.000 1.005 290 T CA -0.669 61.314 62.100 -0.194 0.000 1.025 290 T CB 1.356 70.040 68.868 -0.308 0.000 0.977 290 T HN 0.508 nan 8.240 nan 0.000 0.458 291 A N 2.346 124.957 122.820 -0.349 0.000 2.604 291 A HA 0.808 5.128 4.320 0.000 0.000 0.295 291 A C -1.513 175.798 177.584 -0.455 0.000 1.067 291 A CA -0.760 51.063 52.037 -0.358 0.000 0.683 291 A CB 1.242 20.084 19.000 -0.265 0.000 1.281 291 A HN 0.896 nan 8.150 nan 0.000 0.407 292 I N 0.480 120.944 120.570 -0.177 0.000 2.530 292 I HA 0.587 4.757 4.170 0.000 0.000 0.297 292 I C -1.046 175.149 176.117 0.130 0.000 1.011 292 I CA -0.530 60.768 61.300 -0.003 0.000 1.107 292 I CB 1.813 39.862 38.000 0.081 0.000 1.285 292 I HN 0.641 nan 8.210 nan 0.000 0.436 293 Q N 6.066 126.002 119.800 0.226 0.000 2.387 293 Q HA 0.454 4.794 4.340 0.000 0.000 0.273 293 Q C -0.982 175.149 176.000 0.219 0.000 1.089 293 Q CA -0.736 55.194 55.803 0.211 0.000 0.824 293 Q CB 2.231 31.081 28.738 0.187 0.000 1.367 293 Q HN 0.632 nan 8.270 nan 0.000 0.443 294 R N 1.445 121.998 120.500 0.088 0.000 2.410 294 R HA 0.551 4.891 4.340 0.000 0.000 0.288 294 R C -0.668 175.496 176.300 -0.227 0.000 1.051 294 R CA -0.152 55.780 56.100 -0.279 0.000 1.021 294 R CB 0.466 30.632 30.300 -0.223 0.000 1.032 294 R HN 0.523 nan 8.270 nan 0.000 0.481 295 L N 2.832 123.860 121.223 -0.324 0.000 2.319 295 L HA 0.539 4.879 4.340 0.000 0.000 0.267 295 L C -0.594 176.202 176.870 -0.122 0.000 1.011 295 L CA -0.792 53.953 54.840 -0.159 0.000 0.818 295 L CB 2.082 44.074 42.059 -0.111 0.000 1.316 295 L HN 0.753 nan 8.230 nan 0.000 0.432 296 E N -0.181 119.960 120.200 -0.098 0.000 2.366 296 E HA 0.427 4.777 4.350 0.000 0.000 0.278 296 E C -1.940 174.623 176.600 -0.062 0.000 0.923 296 E CA -0.910 55.480 56.400 -0.016 0.000 0.761 296 E CB 1.351 31.052 29.700 0.002 0.000 1.231 296 E HN 0.280 nan 8.360 nan 0.000 0.443 297 W N 1.516 122.739 121.300 -0.127 0.000 2.415 297 W HA 0.646 5.306 4.660 0.000 0.000 0.355 297 W C -0.225 176.292 176.519 -0.003 0.000 1.161 297 W CA -0.157 57.121 57.345 -0.112 0.000 1.315 297 W CB 1.564 30.850 29.460 -0.290 0.000 1.261 297 W HN 0.601 nan 8.180 nan 0.000 0.636 298 K N 1.176 121.774 120.400 0.329 0.000 2.633 298 K HA 0.095 4.415 4.320 0.000 0.000 0.268 298 K C -0.994 175.791 176.600 0.308 0.000 1.005 298 K CA -0.360 56.057 56.287 0.217 0.000 0.976 298 K CB 0.678 33.186 32.500 0.014 0.000 1.372 298 K HN 0.452 nan 8.250 nan 0.000 0.420 299 D N 2.460 122.996 120.400 0.227 0.000 3.059 299 D HA -0.211 4.429 4.640 0.000 0.000 0.213 299 D C 0.699 177.113 176.300 0.190 0.000 1.144 299 D CA 2.618 56.755 54.000 0.228 0.000 0.975 299 D CB -1.024 39.950 40.800 0.290 0.000 1.125 299 D HN 1.105 nan 8.370 nan 0.000 0.412 300 G N -2.263 106.677 108.800 0.232 0.000 2.159 300 G HA2 -0.243 3.717 3.960 0.000 0.000 0.227 300 G HA3 -0.243 3.717 3.960 0.000 0.000 0.227 300 G C -0.148 174.770 174.900 0.030 0.000 0.986 300 G CA -0.052 45.159 45.100 0.185 0.000 0.651 300 G HN 0.266 nan 8.290 nan 0.000 0.523 301 W N 0.503 121.829 121.300 0.044 0.000 2.736 301 W HA 0.633 5.293 4.660 0.000 0.000 0.335 301 W C -2.155 173.806 176.519 -0.931 0.000 1.059 301 W CA -2.479 54.553 57.345 -0.522 0.000 1.226 301 W CB 1.632 30.566 29.460 -0.877 0.000 1.416 301 W HN -0.038 nan 8.180 nan 0.000 0.505 302 P HA 0.270 nan 4.420 nan 0.000 0.276 302 P C -1.501 175.452 177.300 -0.578 0.000 1.261 302 P CA -0.270 62.115 63.100 -1.192 0.000 0.800 302 P CB 0.887 31.842 31.700 -1.243 0.000 1.066 303 Y N -1.810 118.305 120.300 -0.308 0.000 2.513 303 Y HA 0.305 4.855 4.550 0.000 0.000 0.340 303 Y C -0.209 175.616 175.900 -0.126 0.000 1.055 303 Y CA -1.140 56.901 58.100 -0.098 0.000 1.020 303 Y CB 1.703 40.130 38.460 -0.055 0.000 1.301 303 Y HN -0.029 nan 8.280 nan 0.000 0.453 304 V N 3.593 123.539 119.914 0.053 0.000 2.614 304 V HA 0.090 4.210 4.120 0.000 0.000 0.291 304 V C -0.047 176.058 176.094 0.020 0.000 1.049 304 V CA -0.617 61.688 62.300 0.009 0.000 1.038 304 V CB 1.120 32.939 31.823 -0.007 0.000 0.980 304 V HN 0.531 nan 8.190 nan 0.000 0.481 305 V N 5.253 125.160 119.914 -0.012 0.000 2.458 305 V HA 0.399 4.519 4.120 0.000 0.000 0.287 305 V C 0.919 177.005 176.094 -0.014 0.000 1.009 305 V CA 1.178 63.467 62.300 -0.018 0.000 1.091 305 V CB 0.060 31.861 31.823 -0.037 0.000 0.960 305 V HN 1.346 nan 8.190 nan 0.000 0.476 306 G N 4.134 112.924 108.800 -0.018 0.000 2.940 306 G HA2 0.312 4.272 3.960 0.000 0.000 0.273 306 G HA3 0.312 4.272 3.960 0.000 0.000 0.273 306 G C 0.501 175.372 174.900 -0.048 0.000 1.030 306 G CA -0.201 44.880 45.100 -0.032 0.000 1.066 306 G HN 2.032 nan 8.290 nan 0.000 0.466 307 G N 2.122 110.903 108.800 -0.031 0.000 2.591 307 G HA2 -0.028 3.932 3.960 0.000 0.000 0.278 307 G HA3 -0.028 3.932 3.960 0.000 0.000 0.278 307 G C 0.812 175.706 174.900 -0.010 0.000 1.293 307 G CA 0.847 45.932 45.100 -0.024 0.000 0.930 307 G HN 2.442 nan 8.290 nan 0.000 0.562 308 N N 0.720 119.414 118.700 -0.009 0.000 2.235 308 N HA 0.433 5.173 4.740 0.000 0.000 0.231 308 N C 0.566 176.049 175.510 -0.045 0.000 1.177 308 N CA 0.988 54.036 53.050 -0.004 0.000 0.874 308 N CB 0.405 38.906 38.487 0.022 0.000 1.097 308 N HN 1.089 nan 8.380 nan 0.000 0.518 309 G N 0.485 109.140 108.800 -0.241 0.000 2.471 309 G HA2 0.539 4.499 3.960 0.000 0.000 0.332 309 G HA3 0.539 4.499 3.960 0.000 0.000 0.332 309 G C -2.890 171.878 174.900 -0.221 0.000 1.176 309 G CA -1.709 43.173 45.100 -0.362 0.000 0.949 309 G HN 0.027 nan 8.290 nan 0.000 0.488 310 P HA 0.134 nan 4.420 nan 0.000 0.265 310 P C -0.174 177.113 177.300 -0.020 0.000 1.222 310 P CA 0.013 63.100 63.100 -0.021 0.000 0.767 310 P CB 0.793 32.526 31.700 0.054 0.000 0.801 311 S N 3.497 119.202 115.700 0.008 0.000 2.545 311 S HA 0.129 4.599 4.470 0.000 0.000 0.275 311 S C 1.270 175.900 174.600 0.049 0.000 1.299 311 S CA -0.615 57.590 58.200 0.008 0.000 1.048 311 S CB 0.976 64.180 63.200 0.006 0.000 0.938 311 S HN 0.384 nan 8.310 nan 0.000 0.496 312 L N 1.756 123.004 121.223 0.042 0.000 2.376 312 L HA 0.238 4.579 4.340 0.000 0.000 0.219 312 L C 0.618 177.522 176.870 0.058 0.000 1.133 312 L CA 1.496 56.371 54.840 0.057 0.000 0.816 312 L CB -0.128 41.962 42.059 0.053 0.000 0.933 312 L HN 0.738 nan 8.230 nan 0.000 0.449 313 E N -0.516 119.716 120.200 0.053 0.000 2.331 313 E HA 0.513 4.863 4.350 0.000 0.000 0.275 313 E C -1.315 175.324 176.600 0.065 0.000 0.895 313 E CA -0.677 55.756 56.400 0.055 0.000 0.753 313 E CB 2.002 31.728 29.700 0.043 0.000 1.216 313 E HN 0.182 nan 8.360 nan 0.000 0.434 314 I N -1.092 119.527 120.570 0.082 0.000 3.074 314 I HA 0.518 4.688 4.170 0.000 0.000 0.310 314 I C -0.838 175.345 176.117 0.111 0.000 1.153 314 I CA -1.043 60.323 61.300 0.110 0.000 0.993 314 I CB 2.033 40.140 38.000 0.179 0.000 1.237 314 I HN 0.166 nan 8.210 nan 0.000 0.443 315 D N 3.699 124.176 120.400 0.129 0.000 2.344 315 D HA 0.210 4.850 4.640 0.000 0.000 0.253 315 D C 0.320 176.709 176.300 0.148 0.000 1.255 315 D CA 0.282 54.350 54.000 0.113 0.000 0.894 315 D CB 1.339 42.199 40.800 0.100 0.000 1.067 315 D HN 0.866 nan 8.370 nan 0.000 0.492 316 G N 3.492 112.329 108.800 0.061 0.000 2.346 316 G HA2 0.221 4.181 3.960 0.000 0.000 0.275 316 G HA3 0.221 4.181 3.960 0.000 0.000 0.275 316 G C -2.119 172.761 174.900 -0.035 0.000 1.190 316 G CA -0.793 44.298 45.100 -0.015 0.000 1.015 316 G HN 0.211 nan 8.290 nan 0.000 0.441 317 P HA -0.061 nan 4.420 nan 0.000 0.269 317 P C 0.767 178.027 177.300 -0.067 0.000 1.185 317 P CA 0.233 63.310 63.100 -0.039 0.000 0.769 317 P CB 0.404 31.988 31.700 -0.194 0.000 0.809 318 S N 0.686 116.361 115.700 -0.042 0.000 3.106 318 S HA 0.264 4.734 4.470 0.000 0.000 0.304 318 S C 0.047 174.605 174.600 -0.068 0.000 1.118 318 S CA -0.312 57.860 58.200 -0.046 0.000 1.403 318 S CB -1.268 61.914 63.200 -0.030 0.000 1.555 318 S HN 0.206 nan 8.310 nan 0.000 0.584 319 V N 1.097 120.971 119.914 -0.067 0.000 3.147 319 V HA 0.449 4.569 4.120 0.000 0.000 0.306 319 V C -0.224 175.833 176.094 -0.061 0.000 1.209 319 V CA -1.221 61.047 62.300 -0.053 0.000 1.023 319 V CB 1.988 33.776 31.823 -0.059 0.000 1.059 319 V HN 0.637 nan 8.190 nan 0.000 0.435 320 E N 1.568 121.734 120.200 -0.055 0.000 2.376 320 E HA 0.132 4.482 4.350 0.000 0.000 0.266 320 E C 0.117 176.644 176.600 -0.122 0.000 1.009 320 E CA 0.108 56.461 56.400 -0.079 0.000 0.902 320 E CB 0.647 30.303 29.700 -0.072 0.000 0.972 320 E HN 0.705 nan 8.360 nan 0.000 0.439 321 E N 2.933 123.053 120.200 -0.134 0.000 2.480 321 E HA 0.029 4.379 4.350 0.000 0.000 0.258 321 E C -1.098 175.346 176.600 -0.259 0.000 0.984 321 E CA -0.190 56.100 56.400 -0.184 0.000 0.930 321 E CB 0.454 30.062 29.700 -0.153 0.000 0.936 321 E HN 0.230 nan 8.360 nan 0.000 0.466 322 V N 5.059 124.741 119.914 -0.387 0.000 2.293 322 V HA 0.137 4.257 4.120 0.000 0.000 0.275 322 V C 0.309 175.837 176.094 -0.942 0.000 1.021 322 V CA -0.723 61.196 62.300 -0.635 0.000 0.815 322 V CB 0.977 32.363 31.823 -0.729 0.000 1.025 322 V HN 0.681 nan 8.190 nan 0.000 0.448 323 S N 3.336 118.641 115.700 -0.658 0.000 2.592 323 S HA 0.338 4.808 4.470 0.000 0.000 0.256 323 S C -0.551 173.557 174.600 -0.820 0.000 1.369 323 S CA 0.246 58.120 58.200 -0.543 0.000 0.984 323 S CB 0.389 63.436 63.200 -0.255 0.000 0.919 323 S HN 0.682 nan 8.310 nan 0.000 0.576 324 W N -0.004 121.297 121.300 0.002 0.000 3.127 324 W HA 0.401 5.061 4.660 0.000 0.000 0.330 324 W C -0.430 176.114 176.519 0.041 0.000 1.187 324 W CA -0.731 56.633 57.345 0.032 0.000 1.198 324 W CB 0.761 30.259 29.460 0.063 0.000 1.408 324 W HN 0.559 nan 8.180 nan 0.000 0.529 325 E N 3.099 123.469 120.200 0.284 0.000 2.289 325 E HA 0.094 4.444 4.350 0.000 0.000 0.278 325 E C -0.008 176.686 176.600 0.157 0.000 1.032 325 E CA -0.556 55.941 56.400 0.161 0.000 0.854 325 E CB 0.826 30.599 29.700 0.121 0.000 1.046 325 E HN 0.450 nan 8.360 nan 0.000 0.409 326 K N 3.849 124.306 120.400 0.095 0.000 2.441 326 K HA -0.141 4.179 4.320 0.000 0.000 0.273 326 K C -0.251 176.391 176.600 0.070 0.000 1.090 326 K CA 0.616 56.935 56.287 0.053 0.000 1.158 326 K CB 0.182 32.637 32.500 -0.075 0.000 0.847 326 K HN 0.446 nan 8.250 nan 0.000 0.483 327 D N 4.158 124.672 120.400 0.191 0.000 2.561 327 D HA 0.063 4.703 4.640 0.000 0.000 0.232 327 D C -0.807 175.685 176.300 0.320 0.000 1.198 327 D CA -0.192 53.943 54.000 0.224 0.000 0.826 327 D CB -0.416 40.543 40.800 0.264 0.000 0.992 327 D HN 0.471 nan 8.370 nan 0.000 0.490 328 Y N -3.038 117.335 120.300 0.122 0.000 2.521 328 Y HA 0.413 4.963 4.550 0.000 0.000 0.326 328 Y C -1.713 174.245 175.900 0.095 0.000 1.176 328 Y CA -1.609 56.558 58.100 0.112 0.000 1.079 328 Y CB 0.554 39.099 38.460 0.143 0.000 1.341 328 Y HN -0.330 nan 8.280 nan 0.000 0.456 329 D N 3.682 124.179 120.400 0.162 0.000 2.358 329 D HA 0.056 4.696 4.640 0.000 0.000 0.258 329 D C 0.915 177.307 176.300 0.154 0.000 1.223 329 D CA 0.199 54.240 54.000 0.068 0.000 0.886 329 D CB 1.656 42.499 40.800 0.072 0.000 1.120 329 D HN 0.920 nan 8.370 nan 0.000 0.482 330 E N 2.292 122.494 120.200 0.003 0.000 2.136 330 E HA -0.252 4.098 4.350 0.000 0.000 0.202 330 E C 0.411 177.075 176.600 0.106 0.000 1.019 330 E CA 1.229 57.674 56.400 0.075 0.000 0.819 330 E CB 0.265 29.940 29.700 -0.042 0.000 0.739 330 E HN 0.232 nan 8.360 nan 0.000 0.458 331 K N 1.316 121.738 120.400 0.036 0.000 2.533 331 K HA 0.106 4.426 4.320 0.000 0.000 0.207 331 K C -1.565 175.037 176.600 0.004 0.000 1.052 331 K CA -0.298 55.988 56.287 -0.002 0.000 1.030 331 K CB 0.500 32.907 32.500 -0.155 0.000 1.522 331 K HN -0.091 nan 8.250 nan 0.000 0.543 332 D N 1.977 122.419 120.400 0.069 0.000 2.389 332 D HA -0.045 4.595 4.640 0.000 0.000 0.263 332 D C 0.345 176.455 176.300 -0.317 0.000 1.255 332 D CA 0.647 54.620 54.000 -0.045 0.000 0.914 332 D CB 0.814 41.654 40.800 0.066 0.000 1.116 332 D HN 0.357 nan 8.370 nan 0.000 0.502 333 D N 2.729 123.020 120.400 -0.181 0.000 2.340 333 D HA -0.015 4.625 4.640 0.000 0.000 0.217 333 D C 0.025 176.324 176.300 -0.002 0.000 1.081 333 D CA -0.134 53.800 54.000 -0.110 0.000 0.842 333 D CB 0.135 40.920 40.800 -0.025 0.000 0.934 333 D HN 0.370 nan 8.370 nan 0.000 0.511 334 F N 0.316 120.356 119.950 0.149 0.000 3.080 334 F HA -0.216 4.311 4.527 0.000 0.000 0.292 334 F C 0.958 176.819 175.800 0.101 0.000 0.891 334 F CA -0.003 58.069 58.000 0.121 0.000 1.086 334 F CB -2.071 36.994 39.000 0.109 0.000 1.095 334 F HN 0.094 nan 8.300 nan 0.000 0.633 335 D N -0.704 119.830 120.400 0.222 0.000 2.354 335 D HA 0.156 4.796 4.640 0.000 0.000 0.209 335 D C 1.703 178.087 176.300 0.139 0.000 1.015 335 D CA 1.033 55.128 54.000 0.158 0.000 0.867 335 D CB 0.254 41.119 40.800 0.107 0.000 0.933 335 D HN 0.446 nan 8.370 nan 0.000 0.520 336 G N 1.408 110.302 108.800 0.156 0.000 2.528 336 G HA2 0.160 4.120 3.960 0.000 0.000 0.289 336 G HA3 0.160 4.120 3.960 0.000 0.000 0.289 336 G C 0.828 175.795 174.900 0.113 0.000 1.192 336 G CA -0.355 44.818 45.100 0.122 0.000 0.921 336 G HN -0.103 nan 8.290 nan 0.000 0.512 337 D N -1.181 119.267 120.400 0.080 0.000 2.117 337 D HA -0.079 4.561 4.640 0.000 0.000 0.197 337 D C 1.341 177.678 176.300 0.062 0.000 0.987 337 D CA 1.714 55.752 54.000 0.062 0.000 0.829 337 D CB -0.672 40.154 40.800 0.043 0.000 0.961 337 D HN 0.479 nan 8.370 nan 0.000 0.460 338 T N -2.606 111.990 114.554 0.070 0.000 2.926 338 T HA 0.601 4.951 4.350 0.000 0.000 0.289 338 T C 0.036 174.802 174.700 0.111 0.000 1.054 338 T CA -1.079 61.062 62.100 0.067 0.000 1.015 338 T CB 1.646 70.540 68.868 0.044 0.000 1.167 338 T HN 0.007 nan 8.240 nan 0.000 0.526 339 L N 2.403 123.694 121.223 0.113 0.000 2.367 339 L HA 0.273 4.613 4.340 0.000 0.000 0.275 339 L C 1.311 178.336 176.870 0.258 0.000 1.129 339 L CA -0.495 54.466 54.840 0.203 0.000 0.839 339 L CB 0.414 42.558 42.059 0.143 0.000 1.133 339 L HN 0.753 nan 8.230 nan 0.000 0.453 340 N N 2.269 121.198 118.700 0.382 0.000 2.292 340 N HA -0.145 4.595 4.740 0.000 0.000 0.258 340 N C 0.783 176.417 175.510 0.207 0.000 1.261 340 N CA 0.023 53.232 53.050 0.265 0.000 0.845 340 N CB 0.399 39.039 38.487 0.254 0.000 1.064 340 N HN 0.734 nan 8.380 nan 0.000 0.471 341 H N 1.906 120.903 119.070 -0.122 0.000 2.572 341 H HA 0.061 4.617 4.556 0.000 0.000 0.278 341 H C 0.287 175.453 175.328 -0.270 0.000 1.050 341 H CA -0.101 55.844 56.048 -0.171 0.000 1.168 341 H CB 0.104 29.750 29.762 -0.194 0.000 1.316 341 H HN 0.567 nan 8.280 nan 0.000 0.610 342 H N 0.153 119.065 119.070 -0.263 0.000 2.592 342 H HA 0.096 4.652 4.556 0.000 0.000 0.265 342 H C -0.360 174.695 175.328 -0.455 0.000 0.955 342 H CA -0.470 55.290 56.048 -0.480 0.000 1.175 342 H CB 0.086 29.470 29.762 -0.630 0.000 1.433 342 H HN 0.289 nan 8.280 nan 0.000 0.537 343 F N 2.083 121.998 119.950 -0.059 0.000 2.444 343 F HA 0.243 4.770 4.527 0.000 0.000 0.360 343 F C 0.932 176.680 175.800 -0.087 0.000 1.106 343 F CA -0.138 57.785 58.000 -0.128 0.000 1.170 343 F CB 0.623 39.545 39.000 -0.131 0.000 1.113 343 F HN -0.078 nan 8.300 nan 0.000 0.521 344 Q N 0.918 120.776 119.800 0.097 0.000 2.194 344 Q HA 0.620 4.960 4.340 0.000 0.000 0.245 344 Q C -0.242 175.903 176.000 0.241 0.000 0.993 344 Q CA -0.898 54.998 55.803 0.154 0.000 0.930 344 Q CB 2.076 30.919 28.738 0.175 0.000 1.238 344 Q HN 0.719 nan 8.270 nan 0.000 0.486 345 T N -2.137 112.623 114.554 0.343 0.000 2.924 345 T HA 0.572 4.922 4.350 0.000 0.000 0.291 345 T C -0.405 174.421 174.700 0.210 0.000 1.045 345 T CA -0.874 61.375 62.100 0.248 0.000 1.015 345 T CB 0.585 69.545 68.868 0.153 0.000 1.103 345 T HN 0.375 nan 8.240 nan 0.000 0.496 346 L N 2.873 124.043 121.223 -0.088 0.000 2.342 346 L HA 0.426 4.766 4.340 0.000 0.000 0.285 346 L C 1.431 178.184 176.870 -0.195 0.000 1.095 346 L CA -0.302 54.306 54.840 -0.388 0.000 0.843 346 L CB -0.047 41.726 42.059 -0.478 0.000 1.201 346 L HN 0.877 nan 8.230 nan 0.000 0.445 347 R N 1.290 121.710 120.500 -0.133 0.000 1.680 347 R HA -0.258 4.082 4.340 0.000 0.000 0.092 347 R C 0.290 176.449 176.300 -0.235 0.000 0.930 347 R CA 2.157 58.186 56.100 -0.117 0.000 1.943 347 R CB -1.161 29.028 30.300 -0.186 0.000 0.490 347 R HN 0.710 nan 8.270 nan 0.000 0.707 348 I N -0.636 119.780 120.570 -0.257 0.000 2.750 348 I HA 0.609 4.779 4.170 0.000 0.000 0.308 348 I C -2.541 173.381 176.117 -0.324 0.000 1.016 348 I CA -2.820 58.214 61.300 -0.443 0.000 1.098 348 I CB 1.806 39.649 38.000 -0.261 0.000 1.279 348 I HN -0.211 nan 8.210 nan 0.000 0.454 349 P HA 0.246 nan 4.420 nan 0.000 0.268 349 P C -1.025 176.262 177.300 -0.021 0.000 1.205 349 P CA 0.063 63.162 63.100 -0.001 0.000 0.771 349 P CB 0.527 32.247 31.700 0.034 0.000 0.858 350 L N 2.607 123.846 121.223 0.025 0.000 2.287 350 L HA 0.522 4.862 4.340 0.000 0.000 0.287 350 L C 1.212 178.087 176.870 0.008 0.000 1.022 350 L CA -0.364 54.477 54.840 0.001 0.000 0.814 350 L CB 1.267 43.321 42.059 -0.008 0.000 1.217 350 L HN 0.464 nan 8.230 nan 0.000 0.420 351 G N 1.312 110.111 108.800 -0.002 0.000 2.532 351 G HA2 0.182 4.142 3.960 0.000 0.000 0.291 351 G HA3 0.182 4.142 3.960 0.000 0.000 0.291 351 G C 0.567 175.470 174.900 0.006 0.000 1.349 351 G CA -0.287 44.813 45.100 0.000 0.000 1.038 351 G HN 0.603 nan 8.290 nan 0.000 0.518 352 E N 0.494 120.695 120.200 0.002 0.000 2.268 352 E HA -0.118 4.232 4.350 0.000 0.000 0.195 352 E C 1.898 178.507 176.600 0.015 0.000 0.995 352 E CA 1.112 57.522 56.400 0.016 0.000 0.836 352 E CB -0.047 29.655 29.700 0.004 0.000 0.763 352 E HN 0.683 nan 8.360 nan 0.000 0.491 353 D N -0.261 120.109 120.400 -0.050 0.000 2.363 353 D HA -0.064 4.576 4.640 0.000 0.000 0.220 353 D C 1.727 177.954 176.300 -0.122 0.000 0.994 353 D CA 0.353 54.247 54.000 -0.177 0.000 0.890 353 D CB 0.035 40.729 40.800 -0.177 0.000 0.906 353 D HN 0.271 nan 8.370 nan 0.000 0.530 354 I N -0.044 120.573 120.570 0.079 0.000 3.570 354 I HA 0.198 4.368 4.170 0.000 0.000 0.270 354 I C 0.791 177.045 176.117 0.229 0.000 1.162 354 I CA 0.022 61.435 61.300 0.189 0.000 1.413 354 I CB 0.351 38.385 38.000 0.057 0.000 1.437 354 I HN -0.069 nan 8.210 nan 0.000 0.457 355 A N 0.792 123.669 122.820 0.096 0.000 2.291 355 A HA 0.688 5.008 4.320 0.000 0.000 0.311 355 A C -0.441 177.149 177.584 0.009 0.000 1.224 355 A CA -0.181 51.854 52.037 -0.003 0.000 0.821 355 A CB 0.974 19.925 19.000 -0.081 0.000 1.172 355 A HN 0.106 nan 8.150 nan 0.000 0.494 356 T N 2.430 116.975 114.554 -0.015 0.000 2.952 356 T HA 0.426 4.776 4.350 0.000 0.000 0.305 356 T C -0.112 174.552 174.700 -0.060 0.000 1.064 356 T CA -0.412 61.685 62.100 -0.005 0.000 1.008 356 T CB 0.659 69.577 68.868 0.084 0.000 1.078 356 T HN 0.372 nan 8.240 nan 0.000 0.459 357 L N 3.910 125.109 121.223 -0.039 0.000 2.611 357 L HA 0.364 4.704 4.340 0.000 0.000 0.229 357 L C 1.542 178.433 176.870 0.034 0.000 1.137 357 L CA 0.868 55.702 54.840 -0.011 0.000 0.901 357 L CB -0.381 41.688 42.059 0.017 0.000 1.098 357 L HN 0.698 nan 8.230 nan 0.000 0.456 358 K N -0.777 119.636 120.400 0.023 0.000 2.399 358 K HA 0.228 4.548 4.320 0.000 0.000 0.196 358 K C 1.981 178.591 176.600 0.016 0.000 1.117 358 K CA 0.644 56.948 56.287 0.029 0.000 0.965 358 K CB 0.405 32.920 32.500 0.025 0.000 0.983 358 K HN 0.067 nan 8.250 nan 0.000 0.531 359 A N 1.778 124.600 122.820 0.003 0.000 2.076 359 A HA -0.102 4.218 4.320 0.000 0.000 0.220 359 A C 1.060 178.613 177.584 -0.051 0.000 1.160 359 A CA 1.172 53.192 52.037 -0.029 0.000 0.653 359 A CB -0.156 18.813 19.000 -0.052 0.000 0.801 359 A HN 0.165 nan 8.150 nan 0.000 0.455 360 R N -0.806 119.682 120.500 -0.020 0.000 2.605 360 R HA 0.360 4.700 4.340 0.000 0.000 0.291 360 R C -3.333 173.035 176.300 0.114 0.000 1.226 360 R CA -1.800 54.301 56.100 0.001 0.000 0.981 360 R CB 1.206 31.451 30.300 -0.091 0.000 1.215 360 R HN -0.096 nan 8.270 nan 0.000 0.428 361 P HA 0.067 nan 4.420 nan 0.000 0.260 361 P C 0.340 177.815 177.300 0.292 0.000 1.172 361 P CA 1.429 64.628 63.100 0.166 0.000 0.760 361 P CB 0.824 32.597 31.700 0.122 0.000 0.773 362 G N 1.699 110.665 108.800 0.276 0.000 2.160 362 G HA2 -0.225 3.735 3.960 0.000 0.000 0.251 362 G HA3 -0.225 3.735 3.960 0.000 0.000 0.251 362 G C -0.263 174.793 174.900 0.260 0.000 1.008 362 G CA -0.083 45.184 45.100 0.278 0.000 0.724 362 G HN 0.703 nan 8.290 nan 0.000 0.514 363 H N -1.947 117.265 119.070 0.238 0.000 2.947 363 H HA 0.530 5.086 4.556 0.000 0.000 0.354 363 H C -0.464 174.867 175.328 0.005 0.000 1.085 363 H CA -0.837 55.344 56.048 0.223 0.000 1.253 363 H CB 1.540 31.400 29.762 0.163 0.000 1.757 363 H HN 0.282 nan 8.280 nan 0.000 0.523 364 L N 3.199 124.307 121.223 -0.192 0.000 2.325 364 L HA 0.340 4.681 4.340 0.000 0.000 0.284 364 L C -0.107 176.709 176.870 -0.089 0.000 1.089 364 L CA -0.098 54.466 54.840 -0.460 0.000 0.836 364 L CB -0.001 41.318 42.059 -1.234 0.000 1.184 364 L HN 0.471 nan 8.230 nan 0.000 0.444 365 R N 4.274 124.705 120.500 -0.114 0.000 2.441 365 R HA 0.446 4.786 4.340 0.000 0.000 0.284 365 R C -1.248 174.945 176.300 -0.179 0.000 1.070 365 R CA -0.627 55.374 56.100 -0.165 0.000 1.047 365 R CB 1.072 31.136 30.300 -0.392 0.000 1.016 365 R HN 0.507 nan 8.270 nan 0.000 0.477 366 L N 4.353 125.515 121.223 -0.102 0.000 2.404 366 L HA 0.323 4.663 4.340 0.000 0.000 0.272 366 L C -1.158 175.675 176.870 -0.061 0.000 0.980 366 L CA -0.517 54.281 54.840 -0.069 0.000 0.836 366 L CB 1.218 43.277 42.059 -0.000 0.000 1.238 366 L HN 0.447 nan 8.230 nan 0.000 0.408 367 Y N 1.988 122.341 120.300 0.089 0.000 2.365 367 Y HA 0.486 5.036 4.550 0.000 0.000 0.340 367 Y C 1.327 177.267 175.900 0.067 0.000 1.016 367 Y CA -0.415 57.759 58.100 0.122 0.000 1.196 367 Y CB 0.971 39.476 38.460 0.075 0.000 1.167 367 Y HN 0.699 nan 8.280 nan 0.000 0.509 368 G N 4.610 113.542 108.800 0.220 0.000 2.272 368 G HA2 0.196 4.156 3.960 0.000 0.000 0.247 368 G HA3 0.196 4.156 3.960 0.000 0.000 0.247 368 G C 0.396 175.345 174.900 0.080 0.000 1.272 368 G CA -0.443 44.727 45.100 0.116 0.000 0.921 368 G HN 0.508 nan 8.290 nan 0.000 0.495 369 R N 1.713 122.222 120.500 0.014 0.000 2.618 369 R HA 0.367 4.707 4.340 0.000 0.000 0.108 369 R C 0.314 176.629 176.300 0.024 0.000 1.220 369 R CA -0.488 55.621 56.100 0.016 0.000 1.020 369 R CB -0.335 29.965 30.300 0.000 0.000 0.950 369 R HN 0.653 nan 8.270 nan 0.000 0.397 370 E N 0.905 121.122 120.200 0.028 0.000 2.250 370 E HA 0.224 4.574 4.350 0.000 0.000 0.269 370 E C -0.163 176.487 176.600 0.083 0.000 1.018 370 E CA -0.414 56.020 56.400 0.055 0.000 0.873 370 E CB 1.329 31.066 29.700 0.062 0.000 1.134 370 E HN 0.449 nan 8.360 nan 0.000 0.403 371 S N 1.046 116.796 115.700 0.083 0.000 2.592 371 S HA -0.053 4.417 4.470 0.000 0.000 0.256 371 S C 1.030 175.618 174.600 -0.020 0.000 1.369 371 S CA -0.155 58.083 58.200 0.063 0.000 0.984 371 S CB 0.256 63.506 63.200 0.084 0.000 0.919 371 S HN 0.552 nan 8.310 nan 0.000 0.576 372 L N 1.000 122.076 121.223 -0.244 0.000 2.551 372 L HA 0.008 4.348 4.340 0.000 0.000 0.228 372 L C 2.396 179.212 176.870 -0.089 0.000 1.153 372 L CA 1.172 55.697 54.840 -0.525 0.000 0.851 372 L CB -0.792 40.346 42.059 -1.535 0.000 0.959 372 L HN 1.026 nan 8.230 nan 0.000 0.451 373 T N -5.909 108.712 114.554 0.111 0.000 3.060 373 T HA 0.048 4.398 4.350 0.000 0.000 0.249 373 T C 0.946 175.729 174.700 0.138 0.000 1.079 373 T CA -0.157 62.062 62.100 0.199 0.000 1.013 373 T CB 0.174 69.181 68.868 0.232 0.000 0.975 373 T HN 0.075 nan 8.240 nan 0.000 0.518 374 S N 1.174 116.945 115.700 0.119 0.000 2.531 374 S HA 0.284 4.754 4.470 0.000 0.000 0.279 374 S C 0.793 175.441 174.600 0.080 0.000 1.305 374 S CA -0.699 57.609 58.200 0.179 0.000 1.058 374 S CB 0.375 63.693 63.200 0.196 0.000 0.899 374 S HN 0.432 nan 8.310 nan 0.000 0.493 375 R N 3.287 123.780 120.500 -0.013 0.000 2.423 375 R HA 0.231 4.571 4.340 0.000 0.000 0.248 375 R C -0.299 175.615 176.300 -0.643 0.000 1.019 375 R CA 0.282 56.159 56.100 -0.372 0.000 1.119 375 R CB 0.055 30.060 30.300 -0.491 0.000 1.176 375 R HN 0.602 nan 8.270 nan 0.000 0.526 376 F N -1.950 117.972 119.950 -0.046 0.000 2.060 376 F HA 0.247 4.774 4.527 0.000 0.000 0.218 376 F C 0.714 176.479 175.800 -0.059 0.000 1.186 376 F CA -0.344 57.626 58.000 -0.050 0.000 1.281 376 F CB 0.282 39.261 39.000 -0.035 0.000 1.741 376 F HN -0.373 nan 8.300 nan 0.000 0.359 377 T N 2.553 117.210 114.554 0.171 0.000 2.963 377 T HA 0.353 4.703 4.350 0.000 0.000 0.343 377 T C -0.778 173.942 174.700 0.032 0.000 1.146 377 T CA -0.529 61.606 62.100 0.059 0.000 1.016 377 T CB 0.584 69.475 68.868 0.039 0.000 1.046 377 T HN 0.088 nan 8.240 nan 0.000 0.496 378 Q N 1.752 121.555 119.800 0.006 0.000 2.307 378 Q HA 0.584 4.924 4.340 0.000 0.000 0.262 378 Q C -0.408 175.570 176.000 -0.036 0.000 0.961 378 Q CA -0.813 54.988 55.803 -0.004 0.000 0.882 378 Q CB 2.228 30.974 28.738 0.012 0.000 1.264 378 Q HN 0.717 nan 8.270 nan 0.000 0.446 379 A N 3.790 126.521 122.820 -0.148 0.000 3.004 379 A HA 0.375 4.695 4.320 0.000 0.000 0.286 379 A C -1.040 176.403 177.584 -0.234 0.000 1.632 379 A CA 0.027 51.966 52.037 -0.164 0.000 1.339 379 A CB -0.585 18.325 19.000 -0.150 0.000 1.136 379 A HN 0.535 nan 8.150 nan 0.000 0.577 380 F N 2.258 122.034 119.950 -0.289 0.000 2.607 380 F HA 0.521 5.048 4.527 0.000 0.000 0.322 380 F C -1.286 174.413 175.800 -0.169 0.000 1.176 380 F CA -1.004 56.865 58.000 -0.218 0.000 0.977 380 F CB 1.671 40.637 39.000 -0.058 0.000 1.242 380 F HN 0.122 nan 8.300 nan 0.000 0.465 381 V N 4.806 124.310 119.914 -0.682 0.000 2.555 381 V HA 0.993 5.113 4.120 0.000 0.000 0.302 381 V C -0.408 175.167 176.094 -0.865 0.000 1.038 381 V CA -0.446 61.440 62.300 -0.690 0.000 0.887 381 V CB 1.117 32.575 31.823 -0.607 0.000 0.991 381 V HN 1.100 nan 8.190 nan 0.000 0.434 382 A N 4.551 127.040 122.820 -0.552 0.000 2.604 382 A HA 0.983 5.303 4.320 0.000 0.000 0.295 382 A C -0.868 176.682 177.584 -0.057 0.000 1.067 382 A CA -0.948 50.854 52.037 -0.392 0.000 0.683 382 A CB 2.146 20.793 19.000 -0.588 0.000 1.281 382 A HN 1.073 nan 8.150 nan 0.000 0.407 383 R N 0.506 120.973 120.500 -0.056 0.000 2.854 383 R HA 0.769 5.109 4.340 0.000 0.000 0.271 383 R C -0.683 175.269 176.300 -0.579 0.000 0.994 383 R CA -0.913 55.007 56.100 -0.300 0.000 0.945 383 R CB 0.845 30.834 30.300 -0.519 0.000 1.194 383 R HN 0.642 nan 8.270 nan 0.000 0.476 384 R N 0.741 120.573 120.500 -1.113 0.000 2.640 384 R HA -0.000 4.340 4.340 0.000 0.000 0.270 384 R C -0.564 175.340 176.300 -0.660 0.000 1.024 384 R CA -0.071 55.252 56.100 -1.296 0.000 1.085 384 R CB 0.210 29.856 30.300 -1.091 0.000 0.963 384 R HN 0.482 nan 8.270 nan 0.000 0.426 385 W N 2.340 123.274 121.300 -0.610 0.000 2.347 385 W HA -0.021 4.639 4.660 0.000 0.000 0.333 385 W C 1.176 177.424 176.519 -0.452 0.000 1.383 385 W CA 0.386 57.497 57.345 -0.390 0.000 1.283 385 W CB 0.095 29.539 29.460 -0.027 0.000 1.253 385 W HN 0.642 nan 8.180 nan 0.000 0.563 386 Q N 0.933 120.526 119.800 -0.344 0.000 2.211 386 Q HA 0.071 4.411 4.340 0.000 0.000 0.242 386 Q C -0.561 175.006 176.000 -0.723 0.000 0.825 386 Q CA 0.300 55.786 55.803 -0.528 0.000 0.951 386 Q CB 0.678 29.023 28.738 -0.655 0.000 1.130 386 Q HN 0.550 nan 8.270 nan 0.000 0.496 387 H N -2.538 116.533 119.070 0.002 0.000 2.895 387 H HA 0.213 4.769 4.556 0.000 0.000 0.373 387 H C -0.485 174.887 175.328 0.074 0.000 1.174 387 H CA -0.753 55.300 56.048 0.008 0.000 1.144 387 H CB 0.952 30.788 29.762 0.123 0.000 1.793 387 H HN -0.108 nan 8.280 nan 0.000 0.551 388 F N -0.255 119.837 119.950 0.236 0.000 2.407 388 F HA 0.014 4.541 4.527 0.000 0.000 0.299 388 F C 0.317 175.843 175.800 -0.458 0.000 1.097 388 F CA 0.588 58.537 58.000 -0.085 0.000 1.422 388 F CB -0.143 38.736 39.000 -0.201 0.000 1.067 388 F HN 0.452 nan 8.300 nan 0.000 0.539 389 H N -0.937 118.276 119.070 0.239 0.000 2.658 389 H HA 0.506 5.062 4.556 0.000 0.000 0.337 389 H C -0.716 174.632 175.328 0.034 0.000 1.009 389 H CA -1.277 54.779 56.048 0.013 0.000 1.231 389 H CB 1.087 30.862 29.762 0.021 0.000 1.508 389 H HN -0.051 nan 8.280 nan 0.000 0.517 390 F N 0.182 120.074 119.950 -0.098 0.000 2.770 390 F HA 0.552 5.079 4.527 0.000 0.000 0.313 390 F C -2.095 173.561 175.800 -0.242 0.000 1.154 390 F CA -1.220 56.628 58.000 -0.254 0.000 0.923 390 F CB 0.485 39.239 39.000 -0.411 0.000 1.301 390 F HN 0.479 nan 8.300 nan 0.000 0.449 391 V N 1.438 121.337 119.914 -0.025 0.000 2.850 391 V HA 0.987 5.107 4.120 0.000 0.000 0.315 391 V C -0.828 175.371 176.094 0.175 0.000 1.064 391 V CA -0.065 62.211 62.300 -0.039 0.000 0.979 391 V CB 1.486 33.234 31.823 -0.124 0.000 1.039 391 V HN 1.736 nan 8.190 nan 0.000 0.452 392 A N 3.965 126.874 122.820 0.148 0.000 2.515 392 A HA 0.889 5.209 4.320 0.000 0.000 0.298 392 A C -0.895 176.717 177.584 0.046 0.000 1.059 392 A CA -0.531 51.572 52.037 0.111 0.000 0.698 392 A CB 1.926 21.111 19.000 0.308 0.000 1.289 392 A HN 0.954 nan 8.150 nan 0.000 0.404 393 E N -0.212 119.953 120.200 -0.058 0.000 2.390 393 E HA 0.653 5.003 4.350 0.000 0.000 0.280 393 E C -1.574 175.087 176.600 0.103 0.000 0.992 393 E CA -0.328 56.143 56.400 0.118 0.000 0.790 393 E CB 2.373 32.187 29.700 0.190 0.000 1.248 393 E HN 0.752 nan 8.360 nan 0.000 0.447 394 T N 1.263 115.905 114.554 0.147 0.000 2.853 394 T HA 0.412 4.763 4.350 0.000 0.000 0.311 394 T C -1.906 172.641 174.700 -0.255 0.000 1.307 394 T CA -0.706 61.362 62.100 -0.053 0.000 1.019 394 T CB 1.499 70.615 68.868 0.414 0.000 1.264 394 T HN 0.377 nan 8.240 nan 0.000 0.497 395 K N 2.442 122.474 120.400 -0.612 0.000 2.324 395 K HA 0.786 5.106 4.320 0.000 0.000 0.253 395 K C -1.827 174.619 176.600 -0.256 0.000 0.932 395 K CA -0.714 55.208 56.287 -0.609 0.000 0.799 395 K CB 1.945 33.848 32.500 -0.996 0.000 1.154 395 K HN 0.409 nan 8.250 nan 0.000 0.425 396 V N 2.515 122.363 119.914 -0.111 0.000 2.733 396 V HA 0.381 4.501 4.120 0.000 0.000 0.306 396 V C -1.458 174.656 176.094 0.034 0.000 1.084 396 V CA -0.423 61.784 62.300 -0.155 0.000 0.905 396 V CB 2.047 33.562 31.823 -0.513 0.000 1.010 396 V HN 0.863 nan 8.190 nan 0.000 0.424 397 S N 6.747 122.452 115.700 0.007 0.000 2.422 397 S HA 0.743 5.213 4.470 0.000 0.000 0.308 397 S C -1.212 173.395 174.600 0.012 0.000 1.097 397 S CA -0.324 57.794 58.200 -0.137 0.000 1.099 397 S CB 0.304 63.335 63.200 -0.282 0.000 0.976 397 S HN 0.740 nan 8.310 nan 0.000 0.471 398 F N 4.908 124.753 119.950 -0.175 0.000 2.581 398 F HA 0.601 5.128 4.527 0.000 0.000 0.311 398 F C -0.615 175.107 175.800 -0.130 0.000 1.113 398 F CA -0.766 57.146 58.000 -0.147 0.000 0.935 398 F CB 1.501 40.441 39.000 -0.099 0.000 1.232 398 F HN 0.448 nan 8.300 nan 0.000 0.445 399 R N 5.854 125.896 120.500 -0.763 0.000 2.547 399 R HA 0.308 4.648 4.340 0.000 0.000 0.280 399 R C -2.942 172.894 176.300 -0.773 0.000 1.630 399 R CA -1.626 54.129 56.100 -0.576 0.000 1.470 399 R CB 1.097 31.178 30.300 -0.364 0.000 1.178 399 R HN 0.356 nan 8.270 nan 0.000 0.591 400 P HA 0.120 nan 4.420 nan 0.000 0.275 400 P C 0.456 177.561 177.300 -0.324 0.000 1.228 400 P CA -0.058 62.746 63.100 -0.493 0.000 0.786 400 P CB 1.101 32.820 31.700 0.032 0.000 0.927 401 T N -2.128 112.144 114.554 -0.470 0.000 3.054 401 T HA 0.192 4.542 4.350 0.000 0.000 0.255 401 T C 0.584 174.484 174.700 -1.333 0.000 1.035 401 T CA 0.040 61.702 62.100 -0.729 0.000 0.941 401 T CB -0.100 68.466 68.868 -0.503 0.000 1.026 401 T HN 0.562 nan 8.240 nan 0.000 0.533 402 T N 0.548 114.554 114.554 -0.913 0.000 2.840 402 T HA 0.429 4.779 4.350 0.000 0.000 0.317 402 T C -0.252 174.363 174.700 -0.142 0.000 1.401 402 T CA -0.830 60.764 62.100 -0.844 0.000 1.028 402 T CB 0.659 69.038 68.868 -0.814 0.000 1.317 402 T HN 0.059 nan 8.240 nan 0.000 0.495 403 F N 1.235 121.365 119.950 0.301 0.000 2.408 403 F HA 0.112 4.639 4.527 0.000 0.000 0.300 403 F C 2.066 177.975 175.800 0.182 0.000 1.090 403 F CA 0.627 58.806 58.000 0.299 0.000 1.427 403 F CB -0.823 38.344 39.000 0.278 0.000 1.070 403 F HN 0.533 nan 8.300 nan 0.000 0.549 404 Q N 0.549 120.375 119.800 0.044 0.000 2.369 404 Q HA -0.018 4.322 4.340 0.000 0.000 0.206 404 Q C 0.168 176.242 176.000 0.123 0.000 0.963 404 Q CA 0.717 56.583 55.803 0.105 0.000 0.894 404 Q CB -0.107 28.599 28.738 -0.052 0.000 0.965 404 Q HN 0.617 nan 8.270 nan 0.000 0.475 405 Q N 0.359 120.245 119.800 0.144 0.000 2.274 405 Q HA 0.411 4.751 4.340 0.000 0.000 0.260 405 Q C -0.662 175.548 176.000 0.350 0.000 0.974 405 Q CA -0.458 55.497 55.803 0.255 0.000 0.876 405 Q CB 2.112 31.005 28.738 0.258 0.000 1.297 405 Q HN 0.010 nan 8.270 nan 0.000 0.446 406 S N 0.394 116.228 115.700 0.224 0.000 2.596 406 S HA 0.919 5.389 4.470 0.000 0.000 0.270 406 S C -1.697 172.650 174.600 -0.422 0.000 1.155 406 S CA -0.535 57.668 58.200 0.005 0.000 0.827 406 S CB 2.050 65.302 63.200 0.086 0.000 1.130 406 S HN 0.788 nan 8.310 nan 0.000 0.467 407 A N 0.248 122.719 122.820 -0.581 0.000 2.566 407 A HA 0.989 5.309 4.320 0.000 0.000 0.297 407 A C -0.010 177.504 177.584 -0.117 0.000 1.059 407 A CA -0.168 51.590 52.037 -0.466 0.000 0.691 407 A CB 0.823 19.167 19.000 -1.093 0.000 1.282 407 A HN 2.397 nan 8.150 nan 0.000 0.401 408 G N -0.602 108.298 108.800 0.168 0.000 2.321 408 G HA2 0.594 4.554 3.960 0.000 0.000 0.296 408 G HA3 0.594 4.554 3.960 0.000 0.000 0.296 408 G C -2.115 173.014 174.900 0.381 0.000 1.287 408 G CA -0.197 45.051 45.100 0.247 0.000 0.846 408 G HN 1.793 nan 8.290 nan 0.000 0.508 409 L N 0.338 121.792 121.223 0.385 0.000 2.309 409 L HA 0.848 5.188 4.340 0.000 0.000 0.282 409 L C -0.527 176.612 176.870 0.448 0.000 1.036 409 L CA -0.660 54.459 54.840 0.464 0.000 0.806 409 L CB 1.652 44.023 42.059 0.521 0.000 1.220 409 L HN 0.504 nan 8.230 nan 0.000 0.429 410 V N 4.768 124.966 119.914 0.472 0.000 2.760 410 V HA 0.538 4.658 4.120 0.000 0.000 0.309 410 V C -0.701 175.714 176.094 0.534 0.000 1.077 410 V CA -0.841 61.711 62.300 0.420 0.000 0.910 410 V CB 2.032 33.998 31.823 0.239 0.000 1.008 410 V HN 0.788 nan 8.190 nan 0.000 0.424 411 N N 2.951 121.965 118.700 0.522 0.000 2.407 411 N HA 0.534 5.274 4.740 0.000 0.000 0.277 411 N C -1.759 174.029 175.510 0.463 0.000 0.995 411 N CA -0.302 53.056 53.050 0.514 0.000 0.903 411 N CB 2.552 41.297 38.487 0.430 0.000 1.218 411 N HN 0.819 nan 8.380 nan 0.000 0.487 412 Y N 2.146 122.612 120.300 0.276 0.000 2.401 412 Y HA 0.162 4.712 4.550 0.000 0.000 0.330 412 Y C -0.780 175.279 175.900 0.265 0.000 1.071 412 Y CA -0.620 57.663 58.100 0.304 0.000 1.049 412 Y CB 1.094 39.749 38.460 0.325 0.000 1.239 412 Y HN 0.550 nan 8.280 nan 0.000 0.437 413 Y N 4.501 124.702 120.300 -0.164 0.000 2.422 413 Y HA 0.263 4.813 4.550 0.000 0.000 0.291 413 Y C -0.101 175.624 175.900 -0.291 0.000 1.144 413 Y CA 1.053 59.074 58.100 -0.131 0.000 1.208 413 Y CB 0.570 38.934 38.460 -0.160 0.000 1.195 413 Y HN 0.764 nan 8.280 nan 0.000 0.535 414 N N -2.875 115.524 118.700 -0.503 0.000 3.179 414 N HA 0.046 4.786 4.740 0.000 0.000 0.250 414 N C 0.278 175.541 175.510 -0.411 0.000 1.507 414 N CA 0.153 52.951 53.050 -0.420 0.000 0.883 414 N CB 0.323 38.767 38.487 -0.073 0.000 1.435 414 N HN -0.041 nan 8.380 nan 0.000 0.532 415 T N -2.485 112.025 114.554 -0.074 0.000 2.822 415 T HA -0.199 4.151 4.350 0.000 0.000 0.270 415 T C 0.872 175.701 174.700 0.215 0.000 1.064 415 T CA 1.571 63.745 62.100 0.124 0.000 1.131 415 T CB -0.376 68.545 68.868 0.088 0.000 0.858 415 T HN 0.614 nan 8.240 nan 0.000 0.483 416 Q N 0.361 120.159 119.800 -0.004 0.000 2.281 416 Q HA 0.242 4.582 4.340 0.000 0.000 0.215 416 Q C -0.209 175.568 176.000 -0.373 0.000 0.867 416 Q CA -0.055 55.670 55.803 -0.130 0.000 0.940 416 Q CB 0.574 29.227 28.738 -0.142 0.000 1.111 416 Q HN 0.449 nan 8.270 nan 0.000 0.513 417 N N 1.138 119.629 118.700 -0.349 0.000 2.609 417 N HA 0.204 4.944 4.740 0.000 0.000 0.268 417 N C -1.444 173.937 175.510 -0.214 0.000 1.106 417 N CA -0.131 52.701 53.050 -0.363 0.000 0.823 417 N CB 1.294 39.608 38.487 -0.288 0.000 1.263 417 N HN 0.192 nan 8.380 nan 0.000 0.533 418 W N 0.248 121.465 121.300 -0.138 0.000 2.982 418 W HA 0.493 5.153 4.660 0.000 0.000 0.344 418 W C -1.179 175.344 176.519 0.006 0.000 1.215 418 W CA -0.877 56.426 57.345 -0.070 0.000 1.182 418 W CB 0.450 29.858 29.460 -0.088 0.000 1.437 418 W HN 0.173 nan 8.180 nan 0.000 0.570 419 T N -0.805 114.031 114.554 0.470 0.000 2.883 419 T HA 0.726 5.076 4.350 0.000 0.000 0.296 419 T C -1.072 173.817 174.700 0.315 0.000 1.117 419 T CA -0.672 61.615 62.100 0.311 0.000 1.006 419 T CB 2.493 71.392 68.868 0.052 0.000 1.191 419 T HN 0.756 nan 8.240 nan 0.000 0.508 420 T N 0.545 115.137 114.554 0.063 0.000 2.957 420 T HA 0.552 4.902 4.350 0.000 0.000 0.336 420 T C -2.173 172.336 174.700 -0.318 0.000 1.462 420 T CA -0.737 61.344 62.100 -0.033 0.000 1.073 420 T CB 1.584 70.493 68.868 0.068 0.000 1.319 420 T HN 0.951 nan 8.240 nan 0.000 0.485 421 L N 4.583 125.631 121.223 -0.291 0.000 2.329 421 L HA 0.872 5.212 4.340 0.000 0.000 0.279 421 L C -0.807 176.112 176.870 0.082 0.000 1.014 421 L CA 0.038 54.814 54.840 -0.107 0.000 0.814 421 L CB 1.361 43.423 42.059 0.004 0.000 1.257 421 L HN 0.880 nan 8.230 nan 0.000 0.424 422 Q N 3.958 123.808 119.800 0.082 0.000 2.522 422 Q HA 0.610 4.950 4.340 0.000 0.000 0.285 422 Q C -1.555 174.500 176.000 0.092 0.000 0.982 422 Q CA -0.924 54.930 55.803 0.086 0.000 0.805 422 Q CB 1.717 30.491 28.738 0.059 0.000 1.457 422 Q HN 0.621 nan 8.270 nan 0.000 0.394 423 I N 0.876 121.491 120.570 0.075 0.000 2.428 423 I HA 0.684 4.854 4.170 0.000 0.000 0.296 423 I C 0.095 176.340 176.117 0.213 0.000 0.985 423 I CA -0.349 61.043 61.300 0.153 0.000 1.260 423 I CB 1.814 39.943 38.000 0.216 0.000 1.389 423 I HN 0.833 nan 8.210 nan 0.000 0.484 424 T N 3.002 117.729 114.554 0.289 0.000 2.606 424 T HA 0.412 4.762 4.350 0.000 0.000 0.289 424 T C -2.250 172.699 174.700 0.415 0.000 1.113 424 T CA -0.463 61.868 62.100 0.385 0.000 1.106 424 T CB 0.949 70.011 68.868 0.323 0.000 1.611 424 T HN 0.600 nan 8.240 nan 0.000 0.471 425 W N 1.096 122.528 121.300 0.220 0.000 2.962 425 W HA 0.741 5.401 4.660 0.000 0.000 0.341 425 W C -1.478 175.205 176.519 0.273 0.000 1.155 425 W CA -0.422 57.033 57.345 0.183 0.000 1.165 425 W CB 1.291 30.808 29.460 0.096 0.000 1.435 425 W HN 0.692 nan 8.180 nan 0.000 0.546 426 H N 2.570 121.065 119.070 -0.958 0.000 2.954 426 H HA 0.164 4.720 4.556 0.000 0.000 0.361 426 H C 0.244 174.769 175.328 -1.337 0.000 1.122 426 H CA -0.291 55.300 56.048 -0.762 0.000 1.217 426 H CB 2.295 31.851 29.762 -0.343 0.000 1.776 426 H HN 0.607 nan 8.280 nan 0.000 0.533 427 E N 2.114 121.626 120.200 -1.146 0.000 2.233 427 E HA -0.184 4.166 4.350 0.000 0.000 0.199 427 E C 0.827 177.249 176.600 -0.297 0.000 1.004 427 E CA 2.089 58.128 56.400 -0.601 0.000 0.819 427 E CB 0.391 29.928 29.700 -0.271 0.000 0.738 427 E HN 0.677 nan 8.360 nan 0.000 0.478 428 E N -1.108 119.043 120.200 -0.081 0.000 2.406 428 E HA 0.129 4.479 4.350 0.000 0.000 0.204 428 E C 0.837 177.437 176.600 -0.000 0.000 0.820 428 E CA -0.020 56.393 56.400 0.022 0.000 1.136 428 E CB 0.369 30.118 29.700 0.081 0.000 1.129 428 E HN -0.058 nan 8.360 nan 0.000 0.530 429 K N 1.466 121.900 120.400 0.056 0.000 2.546 429 K HA 0.124 4.444 4.320 0.000 0.000 0.198 429 K C 0.832 177.339 176.600 -0.154 0.000 1.028 429 K CA 0.286 56.501 56.287 -0.119 0.000 1.150 429 K CB 0.390 32.709 32.500 -0.302 0.000 0.876 429 K HN 0.216 nan 8.250 nan 0.000 0.508 430 G N 2.578 111.238 108.800 -0.233 0.000 2.632 430 G HA2 -0.396 3.564 3.960 0.000 0.000 0.322 430 G HA3 -0.396 3.564 3.960 0.000 0.000 0.322 430 G C -0.146 174.565 174.900 -0.316 0.000 1.326 430 G CA 0.189 45.109 45.100 -0.300 0.000 0.986 430 G HN 0.516 nan 8.290 nan 0.000 0.541 431 R N 0.572 121.026 120.500 -0.077 0.000 2.537 431 R HA 0.478 4.818 4.340 0.000 0.000 0.280 431 R C 0.542 176.845 176.300 0.005 0.000 1.058 431 R CA 0.596 56.719 56.100 0.037 0.000 1.057 431 R CB -0.112 30.236 30.300 0.081 0.000 0.973 431 R HN 0.867 nan 8.270 nan 0.000 0.438 432 I N 0.466 121.069 120.570 0.055 0.000 3.095 432 I HA 0.456 4.626 4.170 0.000 0.000 0.310 432 I C -1.491 174.669 176.117 0.071 0.000 1.196 432 I CA -1.204 60.115 61.300 0.031 0.000 0.985 432 I CB 1.850 39.839 38.000 -0.018 0.000 1.250 432 I HN 0.403 nan 8.210 nan 0.000 0.446 433 L N 2.253 123.493 121.223 0.028 0.000 2.346 433 L HA 0.690 5.030 4.340 0.000 0.000 0.276 433 L C -0.988 175.891 176.870 0.014 0.000 1.006 433 L CA -0.184 54.670 54.840 0.024 0.000 0.817 433 L CB 1.890 43.906 42.059 -0.072 0.000 1.272 433 L HN 1.005 nan 8.230 nan 0.000 0.421 434 E N 3.749 123.977 120.200 0.047 0.000 2.407 434 E HA 0.512 4.862 4.350 0.000 0.000 0.279 434 E C -1.955 174.677 176.600 0.054 0.000 1.012 434 E CA -0.911 55.521 56.400 0.053 0.000 0.800 434 E CB 2.037 31.779 29.700 0.069 0.000 1.276 434 E HN 0.416 nan 8.360 nan 0.000 0.452 435 L N 1.949 123.209 121.223 0.061 0.000 2.331 435 L HA 0.679 5.019 4.340 0.000 0.000 0.275 435 L C -0.354 176.566 176.870 0.083 0.000 1.022 435 L CA -0.850 54.016 54.840 0.043 0.000 0.812 435 L CB 1.739 43.876 42.059 0.130 0.000 1.257 435 L HN 0.719 nan 8.230 nan 0.000 0.435 436 M N 2.291 121.940 119.600 0.081 0.000 2.322 436 M HA 0.436 4.916 4.480 0.000 0.000 0.285 436 M C -1.116 175.269 176.300 0.143 0.000 1.119 436 M CA -0.263 55.123 55.300 0.145 0.000 0.953 436 M CB 2.240 34.977 32.600 0.227 0.000 1.701 436 M HN 0.667 nan 8.290 nan 0.000 0.479 437 T N 0.622 115.198 114.554 0.037 0.000 2.932 437 T HA 0.759 5.109 4.350 0.000 0.000 0.289 437 T C -1.142 173.272 174.700 -0.477 0.000 1.039 437 T CA -0.745 61.286 62.100 -0.115 0.000 1.024 437 T CB 1.741 70.619 68.868 0.016 0.000 1.090 437 T HN 0.848 nan 8.240 nan 0.000 0.496 438 C N 2.664 121.476 119.300 -0.813 0.000 2.516 438 C HA 0.710 5.170 4.460 0.000 0.000 0.338 438 C C -1.644 172.987 174.990 -0.599 0.000 1.132 438 C CA -0.478 57.974 59.018 -0.943 0.000 1.310 438 C CB 0.318 26.891 27.740 -1.945 0.000 1.898 438 C HN 1.050 nan 8.230 nan 0.000 0.452 439 D N 3.271 123.485 120.400 -0.309 0.000 2.549 439 D HA 0.352 4.992 4.640 0.000 0.000 0.251 439 D C -0.025 176.266 176.300 -0.015 0.000 1.153 439 D CA -0.042 53.892 54.000 -0.109 0.000 0.861 439 D CB 0.471 41.289 40.800 0.030 0.000 1.207 439 D HN 0.786 nan 8.370 nan 0.000 0.543 440 H N 3.407 122.381 119.070 -0.160 0.000 2.415 440 H HA -0.215 4.341 4.556 0.000 0.000 0.323 440 H C 1.307 176.557 175.328 -0.130 0.000 1.035 440 H CA 0.749 56.708 56.048 -0.149 0.000 1.098 440 H CB -0.910 28.758 29.762 -0.157 0.000 1.575 440 H HN 0.458 nan 8.280 nan 0.000 0.387 441 L N -2.540 118.613 121.223 -0.117 0.000 5.198 441 L HA -0.270 4.070 4.340 0.000 0.000 0.414 441 L C -0.053 176.757 176.870 -0.100 0.000 0.922 441 L CA 1.482 56.265 54.840 -0.095 0.000 1.585 441 L CB -0.735 41.309 42.059 -0.025 0.000 1.671 441 L HN 0.275 nan 8.230 nan 0.000 0.621 442 V N 0.699 120.555 119.914 -0.095 0.000 2.530 442 V HA 0.401 4.521 4.120 0.000 0.000 0.282 442 V C 0.573 176.586 176.094 -0.135 0.000 1.048 442 V CA -0.193 62.059 62.300 -0.080 0.000 0.997 442 V CB 1.414 33.211 31.823 -0.044 0.000 0.987 442 V HN 0.007 nan 8.190 nan 0.000 0.477 443 V N 4.077 123.930 119.914 -0.102 0.000 2.459 443 V HA 0.448 4.568 4.120 0.000 0.000 0.295 443 V C -0.482 175.578 176.094 -0.058 0.000 1.029 443 V CA -0.392 61.838 62.300 -0.116 0.000 0.874 443 V CB 1.915 33.699 31.823 -0.066 0.000 0.985 443 V HN 0.985 nan 8.190 nan 0.000 0.438 444 D N 2.983 123.351 120.400 -0.053 0.000 2.481 444 D HA 0.461 5.101 4.640 0.000 0.000 0.244 444 D C -0.591 175.729 176.300 0.032 0.000 1.057 444 D CA -0.367 53.631 54.000 -0.003 0.000 0.848 444 D CB 2.024 42.828 40.800 0.007 0.000 1.388 444 D HN 0.498 nan 8.370 nan 0.000 0.475 445 Q N 3.413 123.237 119.800 0.040 0.000 2.571 445 Q HA 0.276 4.616 4.340 0.000 0.000 0.243 445 Q C -1.815 174.217 176.000 0.053 0.000 1.055 445 Q CA -1.663 54.175 55.803 0.058 0.000 0.815 445 Q CB 1.834 30.604 28.738 0.053 0.000 1.151 445 Q HN 0.287 nan 8.270 nan 0.000 0.519 446 P HA -0.145 nan 4.420 nan 0.000 0.226 446 P C 0.188 177.512 177.300 0.039 0.000 1.146 446 P CA 0.912 64.041 63.100 0.049 0.000 0.773 446 P CB 0.356 32.098 31.700 0.070 0.000 0.772 447 L N -1.509 119.742 121.223 0.046 0.000 3.066 447 L HA 0.211 4.551 4.340 0.000 0.000 0.265 447 L C 0.502 177.381 176.870 0.016 0.000 1.232 447 L CA -0.411 54.449 54.840 0.033 0.000 1.031 447 L CB -0.685 41.400 42.059 0.044 0.000 1.379 447 L HN -0.214 nan 8.230 nan 0.000 0.563 448 R N 0.448 120.959 120.500 0.017 0.000 2.561 448 R HA 0.251 4.591 4.340 0.000 0.000 0.347 448 R C 1.397 177.693 176.300 -0.007 0.000 0.916 448 R CA 0.890 56.995 56.100 0.009 0.000 1.063 448 R CB -0.496 29.813 30.300 0.014 0.000 0.916 448 R HN 0.436 nan 8.270 nan 0.000 0.410 449 G N 2.817 111.597 108.800 -0.033 0.000 2.225 449 G HA2 -0.353 3.607 3.960 0.000 0.000 0.254 449 G HA3 -0.353 3.607 3.960 0.000 0.000 0.254 449 G C 0.744 175.620 174.900 -0.039 0.000 0.988 449 G CA -0.008 45.064 45.100 -0.047 0.000 0.625 449 G HN 0.601 nan 8.290 nan 0.000 0.527 450 R N 0.748 121.235 120.500 -0.022 0.000 2.609 450 R HA 0.273 4.613 4.340 0.000 0.000 0.326 450 R C -0.025 176.268 176.300 -0.012 0.000 1.090 450 R CA -0.172 55.924 56.100 -0.007 0.000 1.072 450 R CB 0.315 30.622 30.300 0.013 0.000 1.330 450 R HN 0.494 nan 8.270 nan 0.000 0.572 451 E N 1.082 121.254 120.200 -0.046 0.000 2.354 451 E HA 0.142 4.492 4.350 0.000 0.000 0.269 451 E C -0.106 176.458 176.600 -0.061 0.000 1.036 451 E CA -0.167 56.200 56.400 -0.055 0.000 0.876 451 E CB 1.014 30.659 29.700 -0.093 0.000 1.009 451 E HN 0.007 nan 8.360 nan 0.000 0.416 452 I N 3.407 123.938 120.570 -0.065 0.000 2.322 452 I HA 0.076 4.246 4.170 0.000 0.000 0.292 452 I C -0.017 176.088 176.117 -0.020 0.000 1.060 452 I CA -0.432 60.825 61.300 -0.073 0.000 1.309 452 I CB 0.168 38.010 38.000 -0.263 0.000 1.415 452 I HN 0.252 nan 8.210 nan 0.000 0.492 453 V N 7.719 127.636 119.914 0.006 0.000 2.540 453 V HA -0.013 4.107 4.120 0.000 0.000 0.297 453 V C 0.604 176.733 176.094 0.058 0.000 1.024 453 V CA -0.115 62.190 62.300 0.007 0.000 1.105 453 V CB 1.127 32.946 31.823 -0.007 0.000 0.938 453 V HN 0.430 nan 8.190 nan 0.000 0.482 454 V N 8.150 128.054 119.914 -0.017 0.000 2.407 454 V HA 0.301 4.421 4.120 0.000 0.000 0.278 454 V C -2.088 173.871 176.094 -0.226 0.000 1.037 454 V CA -1.788 60.402 62.300 -0.184 0.000 0.900 454 V CB 1.454 33.198 31.823 -0.132 0.000 0.983 454 V HN 0.796 nan 8.190 nan 0.000 0.459 455 P HA 0.207 nan 4.420 nan 0.000 0.271 455 P C -0.048 177.137 177.300 -0.192 0.000 1.220 455 P CA -0.188 62.780 63.100 -0.220 0.000 0.768 455 P CB 0.610 32.175 31.700 -0.226 0.000 0.848 456 D N 1.237 121.570 120.400 -0.112 0.000 2.363 456 D HA -0.111 4.529 4.640 0.000 0.000 0.220 456 D C 1.039 177.290 176.300 -0.082 0.000 0.994 456 D CA 0.859 54.805 54.000 -0.089 0.000 0.890 456 D CB -0.209 40.559 40.800 -0.054 0.000 0.906 456 D HN 0.497 nan 8.370 nan 0.000 0.530 457 D N 0.021 120.373 120.400 -0.079 0.000 2.336 457 D HA -0.095 4.545 4.640 0.000 0.000 0.229 457 D C 0.207 176.471 176.300 -0.061 0.000 1.061 457 D CA -0.075 53.891 54.000 -0.056 0.000 0.875 457 D CB 0.105 40.885 40.800 -0.033 0.000 0.904 457 D HN 0.016 nan 8.370 nan 0.000 0.525 458 I N 1.609 122.111 120.570 -0.112 0.000 2.330 458 I HA 0.170 4.340 4.170 0.000 0.000 0.289 458 I C 1.325 177.389 176.117 -0.088 0.000 1.001 458 I CA -0.630 60.607 61.300 -0.105 0.000 1.193 458 I CB 1.228 39.064 38.000 -0.274 0.000 1.345 458 I HN 0.013 nan 8.210 nan 0.000 0.461 459 E N 5.316 125.490 120.200 -0.044 0.000 2.122 459 E HA -0.046 4.304 4.350 0.000 0.000 0.190 459 E C -0.527 175.876 176.600 -0.328 0.000 0.977 459 E CA 1.000 57.276 56.400 -0.206 0.000 0.820 459 E CB 0.420 29.983 29.700 -0.228 0.000 0.770 459 E HN 0.530 nan 8.360 nan 0.000 0.462 460 Y N -0.394 119.957 120.300 0.085 0.000 2.409 460 Y HA 0.395 4.945 4.550 0.000 0.000 0.343 460 Y C -0.490 175.518 175.900 0.180 0.000 0.973 460 Y CA -1.131 57.019 58.100 0.082 0.000 1.064 460 Y CB 2.014 40.500 38.460 0.042 0.000 1.207 460 Y HN -0.289 nan 8.280 nan 0.000 0.452 461 V N 2.928 123.026 119.914 0.308 0.000 2.630 461 V HA 0.385 4.505 4.120 0.000 0.000 0.305 461 V C -1.097 175.140 176.094 0.239 0.000 1.046 461 V CA -1.280 61.258 62.300 0.396 0.000 0.934 461 V CB 1.483 33.526 31.823 0.368 0.000 1.003 461 V HN 0.610 nan 8.190 nan 0.000 0.451 462 Y N 3.635 124.082 120.300 0.245 0.000 2.352 462 Y HA 0.692 5.242 4.550 0.000 0.000 0.339 462 Y C -0.164 175.991 175.900 0.425 0.000 0.992 462 Y CA -0.626 57.630 58.100 0.261 0.000 1.100 462 Y CB 1.793 40.287 38.460 0.057 0.000 1.192 462 Y HN 0.381 nan 8.280 nan 0.000 0.458 463 L N 5.103 126.677 121.223 0.585 0.000 2.372 463 L HA 0.626 4.966 4.340 0.000 0.000 0.274 463 L C -0.625 176.549 176.870 0.507 0.000 0.988 463 L CA -0.741 54.425 54.840 0.544 0.000 0.833 463 L CB 2.092 44.405 42.059 0.425 0.000 1.236 463 L HN 0.554 nan 8.230 nan 0.000 0.410 464 R N 2.777 123.568 120.500 0.484 0.000 2.575 464 R HA 0.738 5.078 4.340 0.000 0.000 0.293 464 R C -1.975 174.418 176.300 0.154 0.000 0.983 464 R CA -0.470 55.766 56.100 0.226 0.000 0.887 464 R CB 2.776 33.037 30.300 -0.065 0.000 1.184 464 R HN 0.422 nan 8.270 nan 0.000 0.445 465 V N 3.337 123.264 119.914 0.021 0.000 2.628 465 V HA 0.630 4.750 4.120 0.000 0.000 0.306 465 V C -1.120 174.866 176.094 -0.180 0.000 1.045 465 V CA -0.205 61.984 62.300 -0.184 0.000 0.905 465 V CB 2.397 34.029 31.823 -0.318 0.000 0.997 465 V HN 0.927 nan 8.190 nan 0.000 0.436 466 T N 5.335 119.770 114.554 -0.199 0.000 2.847 466 T HA 0.486 4.836 4.350 0.000 0.000 0.291 466 T C -0.773 173.757 174.700 -0.283 0.000 0.998 466 T CA -0.342 61.617 62.100 -0.235 0.000 0.967 466 T CB 1.353 70.141 68.868 -0.133 0.000 0.954 466 T HN 0.461 nan 8.240 nan 0.000 0.441 467 V N 4.660 124.214 119.914 -0.601 0.000 2.311 467 V HA 0.329 4.449 4.120 0.000 0.000 0.275 467 V C -0.214 175.671 176.094 -0.348 0.000 1.022 467 V CA -0.615 61.307 62.300 -0.630 0.000 0.830 467 V CB 1.144 32.054 31.823 -1.522 0.000 1.012 467 V HN 0.748 nan 8.190 nan 0.000 0.452 468 Q N 3.882 123.627 119.800 -0.092 0.000 2.506 468 Q HA 0.612 4.952 4.340 0.000 0.000 0.242 468 Q C 0.809 176.813 176.000 0.006 0.000 1.060 468 Q CA 0.440 56.284 55.803 0.068 0.000 0.826 468 Q CB 1.419 30.232 28.738 0.125 0.000 1.169 468 Q HN 0.962 nan 8.270 nan 0.000 0.521 469 A N 2.431 125.107 122.820 -0.239 0.000 5.251 469 A HA -0.381 3.939 4.320 0.000 0.000 0.334 469 A C 1.481 179.133 177.584 0.114 0.000 1.764 469 A CA 2.636 54.605 52.037 -0.114 0.000 0.708 469 A CB -1.993 16.962 19.000 -0.074 0.000 1.420 469 A HN 0.768 nan 8.150 nan 0.000 0.394 470 T N -1.340 113.279 114.554 0.108 0.000 3.160 470 T HA 0.394 4.744 4.350 0.000 0.000 0.257 470 T C 0.684 175.494 174.700 0.185 0.000 1.147 470 T CA 1.819 64.020 62.100 0.169 0.000 1.064 470 T CB -1.144 67.790 68.868 0.110 0.000 0.949 470 T HN 2.070 nan 8.240 nan 0.000 0.526 471 T N -0.232 114.419 114.554 0.162 0.000 2.901 471 T HA 0.688 5.038 4.350 0.000 0.000 0.293 471 T C -1.196 173.634 174.700 0.217 0.000 1.084 471 T CA -1.117 61.061 62.100 0.129 0.000 1.008 471 T CB 1.959 70.861 68.868 0.057 0.000 1.170 471 T HN 0.495 nan 8.240 nan 0.000 0.509 472 Y N -1.675 118.722 120.300 0.161 0.000 2.609 472 Y HA 0.857 5.407 4.550 0.000 0.000 0.336 472 Y C -1.270 174.750 175.900 0.201 0.000 1.129 472 Y CA -1.365 56.792 58.100 0.094 0.000 1.040 472 Y CB 1.506 39.977 38.460 0.017 0.000 1.310 472 Y HN 0.808 nan 8.280 nan 0.000 0.460 473 K N 1.124 121.700 120.400 0.292 0.000 2.435 473 K HA 0.539 4.859 4.320 0.000 0.000 0.251 473 K C -2.122 174.610 176.600 0.220 0.000 0.954 473 K CA -0.958 55.511 56.287 0.304 0.000 0.820 473 K CB 2.262 34.871 32.500 0.181 0.000 1.292 473 K HN 0.720 nan 8.250 nan 0.000 0.436 474 Y N 0.587 121.131 120.300 0.405 0.000 2.341 474 Y HA 0.325 4.875 4.550 0.000 0.000 0.337 474 Y C 0.088 176.177 175.900 0.314 0.000 1.014 474 Y CA -0.315 58.000 58.100 0.358 0.000 1.111 474 Y CB 2.021 40.719 38.460 0.396 0.000 1.194 474 Y HN 0.516 nan 8.280 nan 0.000 0.462 475 S N 2.683 118.652 115.700 0.448 0.000 2.549 475 S HA 0.675 5.145 4.470 0.000 0.000 0.280 475 S C -1.273 173.693 174.600 0.610 0.000 1.109 475 S CA -0.904 57.560 58.200 0.441 0.000 0.905 475 S CB 1.121 64.514 63.200 0.321 0.000 1.081 475 S HN 0.619 nan 8.310 nan 0.000 0.477 476 Y N 0.019 120.544 120.300 0.375 0.000 2.596 476 Y HA 0.892 5.442 4.550 0.000 0.000 0.326 476 Y C -0.072 175.760 175.900 -0.113 0.000 1.167 476 Y CA -0.965 57.276 58.100 0.236 0.000 1.246 476 Y CB 1.211 39.706 38.460 0.057 0.000 1.347 476 Y HN 0.815 nan 8.280 nan 0.000 0.515 477 S N 0.077 115.609 115.700 -0.281 0.000 2.537 477 S HA 0.460 4.930 4.470 0.000 0.000 0.271 477 S C -1.043 173.494 174.600 -0.105 0.000 1.148 477 S CA -0.686 57.072 58.200 -0.737 0.000 0.868 477 S CB 0.482 62.601 63.200 -1.802 0.000 1.115 477 S HN 0.591 nan 8.310 nan 0.000 0.461 478 F N 1.949 121.889 119.950 -0.017 0.000 2.746 478 F HA 0.256 4.783 4.527 0.000 0.000 0.297 478 F C 1.561 177.412 175.800 0.084 0.000 1.113 478 F CA 0.020 58.093 58.000 0.121 0.000 1.367 478 F CB 0.173 39.247 39.000 0.123 0.000 1.111 478 F HN 0.680 nan 8.300 nan 0.000 0.590 479 D N -2.885 117.511 120.400 -0.008 0.000 2.525 479 D HA 0.239 4.879 4.640 0.000 0.000 0.231 479 D C 1.669 177.706 176.300 -0.439 0.000 1.216 479 D CA 0.686 54.634 54.000 -0.087 0.000 0.813 479 D CB 0.016 40.792 40.800 -0.040 0.000 1.108 479 D HN 0.136 nan 8.370 nan 0.000 0.524 480 G N 0.282 108.439 108.800 -1.071 0.000 2.159 480 G HA2 -0.350 3.610 3.960 0.000 0.000 0.256 480 G HA3 -0.350 3.610 3.960 0.000 0.000 0.256 480 G C 0.741 175.386 174.900 -0.425 0.000 0.977 480 G CA 0.851 45.127 45.100 -1.372 0.000 0.652 480 G HN 0.373 nan 8.290 nan 0.000 0.531 481 M N -1.056 118.299 119.600 -0.409 0.000 2.227 481 M HA 0.274 4.754 4.480 0.000 0.000 0.226 481 M C -0.004 176.232 176.300 -0.107 0.000 1.423 481 M CA 0.035 55.286 55.300 -0.082 0.000 1.055 481 M CB 0.497 33.065 32.600 -0.053 0.000 1.572 481 M HN 0.034 nan 8.290 nan 0.000 0.567 482 N N 0.701 119.204 118.700 -0.330 0.000 2.469 482 N HA 0.213 4.953 4.740 0.000 0.000 0.239 482 N C -1.869 173.360 175.510 -0.467 0.000 1.053 482 N CA 0.146 53.042 53.050 -0.256 0.000 0.937 482 N CB 0.114 38.497 38.487 -0.173 0.000 1.163 482 N HN 0.145 nan 8.380 nan 0.000 0.509 483 W N 2.595 123.793 121.300 -0.169 0.000 2.349 483 W HA 0.522 5.182 4.660 0.000 0.000 0.309 483 W C 0.194 176.561 176.519 -0.255 0.000 1.083 483 W CA -0.518 56.697 57.345 -0.217 0.000 1.224 483 W CB 0.849 30.238 29.460 -0.119 0.000 1.256 483 W HN 0.215 nan 8.180 nan 0.000 0.461 484 I N 4.206 124.612 120.570 -0.273 0.000 2.378 484 I HA 0.151 4.321 4.170 0.000 0.000 0.291 484 I C -0.220 175.837 176.117 -0.099 0.000 0.992 484 I CA -0.865 60.273 61.300 -0.269 0.000 1.154 484 I CB 1.011 38.711 38.000 -0.501 0.000 1.315 484 I HN 0.217 nan 8.210 nan 0.000 0.448 485 D N 6.573 127.005 120.400 0.053 0.000 2.382 485 D HA 0.299 4.939 4.640 0.000 0.000 0.245 485 D C -0.269 176.150 176.300 0.198 0.000 1.120 485 D CA 0.044 54.132 54.000 0.147 0.000 0.890 485 D CB 1.070 41.940 40.800 0.118 0.000 1.201 485 D HN 0.229 nan 8.370 nan 0.000 0.433 486 L N 3.847 125.235 121.223 0.275 0.000 2.290 486 L HA 0.261 4.601 4.340 0.000 0.000 0.284 486 L C -1.708 175.271 176.870 0.180 0.000 1.078 486 L CA -1.490 53.504 54.840 0.258 0.000 0.815 486 L CB 0.723 42.974 42.059 0.320 0.000 1.162 486 L HN 0.189 nan 8.230 nan 0.000 0.435 487 P HA 0.118 nan 4.420 nan 0.000 0.225 487 P C -0.835 176.468 177.300 0.005 0.000 1.768 487 P CA 0.147 63.282 63.100 0.058 0.000 0.943 487 P CB 0.061 31.790 31.700 0.047 0.000 1.936 488 V N 0.352 120.255 119.914 -0.018 0.000 2.851 488 V HA 0.352 4.472 4.120 0.000 0.000 0.307 488 V C -0.020 175.902 176.094 -0.287 0.000 1.129 488 V CA -0.393 61.791 62.300 -0.194 0.000 0.932 488 V CB 2.524 34.187 31.823 -0.267 0.000 1.024 488 V HN 0.074 nan 8.190 nan 0.000 0.426 489 T N 4.470 118.795 114.554 -0.382 0.000 2.823 489 T HA 0.752 5.102 4.350 0.000 0.000 0.279 489 T C -0.784 173.571 174.700 -0.575 0.000 0.998 489 T CA -0.165 61.746 62.100 -0.316 0.000 0.994 489 T CB 0.953 69.733 68.868 -0.147 0.000 0.960 489 T HN 0.291 nan 8.240 nan 0.000 0.448 490 F N 1.181 120.977 119.950 -0.257 0.000 2.470 490 F HA 0.471 4.998 4.527 0.000 0.000 0.329 490 F C 0.845 176.370 175.800 -0.457 0.000 1.072 490 F CA -1.116 56.605 58.000 -0.464 0.000 0.989 490 F CB 1.364 39.803 39.000 -0.935 0.000 1.193 490 F HN 0.458 nan 8.300 nan 0.000 0.481 491 E N 0.331 120.469 120.200 -0.102 0.000 2.175 491 E HA 0.271 4.621 4.350 0.000 0.000 0.278 491 E C 0.001 176.637 176.600 0.060 0.000 0.969 491 E CA -0.319 56.087 56.400 0.011 0.000 0.796 491 E CB 1.520 31.277 29.700 0.095 0.000 1.104 491 E HN 0.550 nan 8.360 nan 0.000 0.395 492 S N 1.652 117.516 115.700 0.273 0.000 2.481 492 S HA -0.144 4.326 4.470 0.000 0.000 0.231 492 S C 1.580 176.292 174.600 0.187 0.000 0.996 492 S CA 0.543 59.000 58.200 0.428 0.000 0.942 492 S CB -0.218 63.352 63.200 0.617 0.000 0.768 492 S HN 0.657 nan 8.310 nan 0.000 0.520 493 Y N 1.549 121.835 120.300 -0.023 0.000 2.509 493 Y HA 0.206 4.756 4.550 0.000 0.000 0.293 493 Y C 1.550 177.202 175.900 -0.414 0.000 1.133 493 Y CA 0.607 58.612 58.100 -0.158 0.000 1.283 493 Y CB -0.391 37.854 38.460 -0.359 0.000 1.001 493 Y HN 0.010 nan 8.280 nan 0.000 0.555 494 K N 0.870 120.588 120.400 -1.136 0.000 2.439 494 K HA 0.114 4.434 4.320 0.000 0.000 0.197 494 K C 0.408 176.716 176.600 -0.487 0.000 1.041 494 K CA 0.656 56.165 56.287 -1.296 0.000 0.970 494 K CB -0.008 31.834 32.500 -1.096 0.000 0.773 494 K HN 0.415 nan 8.250 nan 0.000 0.479 495 L N 1.285 122.340 121.223 -0.280 0.000 3.108 495 L HA 0.146 4.487 4.340 0.000 0.000 0.251 495 L C -0.118 176.684 176.870 -0.113 0.000 1.315 495 L CA -0.573 54.163 54.840 -0.175 0.000 1.048 495 L CB 0.393 42.312 42.059 -0.233 0.000 1.432 495 L HN -0.018 nan 8.230 nan 0.000 0.543 496 S N -3.918 111.690 115.700 -0.152 0.000 2.600 496 S HA 0.402 4.872 4.470 0.000 0.000 0.300 496 S C 0.312 174.788 174.600 -0.207 0.000 1.087 496 S CA -0.804 57.397 58.200 0.002 0.000 0.965 496 S CB 2.237 65.598 63.200 0.268 0.000 1.089 496 S HN 0.066 nan 8.310 nan 0.000 0.496 497 D N 1.335 121.723 120.400 -0.021 0.000 2.106 497 D HA -0.143 4.497 4.640 0.000 0.000 0.191 497 D C 1.147 177.466 176.300 0.032 0.000 0.997 497 D CA 1.807 55.791 54.000 -0.026 0.000 0.834 497 D CB -0.315 40.564 40.800 0.132 0.000 0.956 497 D HN 0.711 nan 8.370 nan 0.000 0.448 498 D N -0.938 119.600 120.400 0.230 0.000 2.312 498 D HA -0.142 4.498 4.640 0.000 0.000 0.211 498 D C 1.686 178.282 176.300 0.494 0.000 0.964 498 D CA 0.352 54.556 54.000 0.340 0.000 0.877 498 D CB -0.037 40.976 40.800 0.356 0.000 0.924 498 D HN 0.287 nan 8.370 nan 0.000 0.515 499 Y N 1.633 122.146 120.300 0.355 0.000 2.373 499 Y HA -0.032 4.518 4.550 0.000 0.000 0.293 499 Y C 0.820 176.797 175.900 0.127 0.000 1.129 499 Y CA 0.205 58.446 58.100 0.235 0.000 1.226 499 Y CB 0.135 38.586 38.460 -0.015 0.000 1.000 499 Y HN -0.217 nan 8.280 nan 0.000 0.549 500 I N 2.260 122.816 120.570 -0.024 0.000 2.505 500 I HA -0.039 4.131 4.170 0.000 0.000 0.287 500 I C 1.153 177.273 176.117 0.004 0.000 1.104 500 I CA 0.244 61.495 61.300 -0.081 0.000 1.387 500 I CB 0.948 38.803 38.000 -0.241 0.000 1.404 500 I HN 0.103 nan 8.210 nan 0.000 0.528 501 K N 3.374 123.854 120.400 0.133 0.000 2.211 501 K HA -0.112 4.208 4.320 0.000 0.000 0.203 501 K C 1.972 178.561 176.600 -0.019 0.000 1.050 501 K CA 1.154 57.414 56.287 -0.045 0.000 0.945 501 K CB -0.021 32.348 32.500 -0.217 0.000 0.732 501 K HN 0.759 nan 8.250 nan 0.000 0.451 502 S N -0.149 115.547 115.700 -0.005 0.000 2.481 502 S HA -0.073 4.397 4.470 0.000 0.000 0.231 502 S C 1.259 175.830 174.600 -0.049 0.000 0.996 502 S CA 0.644 58.831 58.200 -0.022 0.000 0.942 502 S CB -0.080 63.103 63.200 -0.029 0.000 0.768 502 S HN 0.349 nan 8.310 nan 0.000 0.520 503 R N -0.255 120.192 120.500 -0.088 0.000 3.862 503 R HA -0.209 4.131 4.340 0.000 0.000 0.470 503 R C 0.292 176.387 176.300 -0.342 0.000 0.879 503 R CA 0.900 56.928 56.100 -0.121 0.000 1.508 503 R CB -2.110 28.186 30.300 -0.007 0.000 2.170 503 R HN 0.642 nan 8.270 nan 0.000 0.496 504 A N 0.905 123.500 122.820 -0.375 0.000 2.990 504 A HA 0.577 4.897 4.320 0.000 0.000 0.282 504 A C 0.081 177.211 177.584 -0.756 0.000 1.688 504 A CA 0.666 52.266 52.037 -0.728 0.000 1.391 504 A CB 0.080 18.947 19.000 -0.222 0.000 1.112 504 A HN 0.459 nan 8.150 nan 0.000 0.588 505 A N 1.436 123.616 122.820 -1.068 0.000 2.679 505 A HA 0.681 5.001 4.320 0.000 0.000 0.288 505 A C -0.718 176.644 177.584 -0.370 0.000 1.160 505 A CA -0.264 51.509 52.037 -0.439 0.000 0.763 505 A CB 0.297 19.161 19.000 -0.226 0.000 1.270 505 A HN 0.541 nan 8.150 nan 0.000 0.417 506 F N 0.767 120.530 119.950 -0.311 0.000 2.838 506 F HA 0.133 4.660 4.527 0.000 0.000 0.329 506 F C 1.686 176.979 175.800 -0.845 0.000 1.116 506 F CA 0.550 58.159 58.000 -0.651 0.000 1.155 506 F CB 0.250 38.529 39.000 -1.202 0.000 1.106 506 F HN 0.571 nan 8.300 nan 0.000 0.538 507 T N -2.108 112.079 114.554 -0.612 0.000 2.281 507 T HA 0.821 5.171 4.350 0.000 0.000 0.180 507 T C 0.729 175.018 174.700 -0.685 0.000 0.683 507 T CA 0.154 61.548 62.100 -1.177 0.000 1.735 507 T CB 0.738 68.841 68.868 -1.275 0.000 3.036 507 T HN 0.185 nan 8.240 nan 0.000 0.399 508 G N -0.199 108.241 108.800 -0.600 0.000 2.338 508 G HA2 0.589 4.549 3.960 0.000 0.000 0.295 508 G HA3 0.589 4.549 3.960 0.000 0.000 0.295 508 G C -1.022 173.893 174.900 0.025 0.000 1.461 508 G CA -0.499 44.565 45.100 -0.061 0.000 0.817 508 G HN 0.873 nan 8.290 nan 0.000 0.556 509 A N -0.489 122.352 122.820 0.036 0.000 2.445 509 A HA 0.787 5.107 4.320 0.000 0.000 0.242 509 A C -0.788 176.784 177.584 -0.020 0.000 1.075 509 A CA 0.298 52.225 52.037 -0.183 0.000 0.777 509 A CB 0.088 18.483 19.000 -1.007 0.000 1.013 509 A HN 0.885 nan 8.150 nan 0.000 0.493 510 F N -0.228 119.663 119.950 -0.099 0.000 2.613 510 F HA 0.561 5.088 4.527 0.000 0.000 0.314 510 F C -0.063 175.949 175.800 0.354 0.000 1.075 510 F CA -0.719 57.341 58.000 0.099 0.000 0.945 510 F CB 2.419 41.410 39.000 -0.015 0.000 1.310 510 F HN 0.512 nan 8.300 nan 0.000 0.467 511 V N 1.604 121.840 119.914 0.537 0.000 2.735 511 V HA 1.011 5.131 4.120 0.000 0.000 0.310 511 V C -0.659 175.625 176.094 0.317 0.000 1.061 511 V CA 0.090 62.723 62.300 0.554 0.000 0.913 511 V CB 1.430 33.611 31.823 0.596 0.000 1.005 511 V HN 0.968 nan 8.190 nan 0.000 0.428 512 G N 4.894 113.871 108.800 0.296 0.000 2.490 512 G HA2 0.510 4.470 3.960 0.000 0.000 0.308 512 G HA3 0.510 4.470 3.960 0.000 0.000 0.308 512 G C -1.770 173.142 174.900 0.021 0.000 1.286 512 G CA -0.951 44.072 45.100 -0.129 0.000 0.825 512 G HN 0.779 nan 8.290 nan 0.000 0.479 513 M N 0.833 120.241 119.600 -0.320 0.000 2.456 513 M HA 0.564 5.044 4.480 0.000 0.000 0.324 513 M C -0.792 175.453 176.300 -0.091 0.000 1.124 513 M CA -0.764 54.322 55.300 -0.356 0.000 0.959 513 M CB 2.461 34.357 32.600 -1.173 0.000 1.692 513 M HN 0.625 nan 8.290 nan 0.000 0.444 514 H N 0.715 119.797 119.070 0.019 0.000 2.974 514 H HA 0.578 5.134 4.556 0.000 0.000 0.366 514 H C -2.071 173.329 175.328 0.120 0.000 1.155 514 H CA -0.614 55.519 56.048 0.142 0.000 1.186 514 H CB 2.344 32.173 29.762 0.111 0.000 1.799 514 H HN 0.895 nan 8.280 nan 0.000 0.541 515 C N 4.851 123.973 119.300 -0.297 0.000 2.880 515 C HA 0.642 5.102 4.460 0.000 0.000 0.320 515 C C -1.120 173.753 174.990 -0.195 0.000 1.176 515 C CA -0.595 58.350 59.018 -0.122 0.000 1.390 515 C CB 1.330 29.083 27.740 0.021 0.000 1.846 515 C HN 1.004 nan 8.230 nan 0.000 0.478 516 R N 3.470 123.971 120.500 0.001 0.000 2.538 516 R HA 0.512 4.852 4.340 0.000 0.000 0.292 516 R C -1.858 174.515 176.300 0.122 0.000 1.008 516 R CA -0.162 55.978 56.100 0.066 0.000 0.896 516 R CB 1.300 31.691 30.300 0.151 0.000 1.187 516 R HN 0.763 nan 8.270 nan 0.000 0.440 517 D N 3.426 123.888 120.400 0.102 0.000 2.464 517 D HA 0.253 4.893 4.640 0.000 0.000 0.243 517 D C 0.344 176.679 176.300 0.059 0.000 1.104 517 D CA -0.249 53.807 54.000 0.094 0.000 0.883 517 D CB 1.570 42.425 40.800 0.091 0.000 1.050 517 D HN 0.857 nan 8.370 nan 0.000 0.524 518 G N 1.401 110.237 108.800 0.060 0.000 3.088 518 G HA2 -0.078 3.882 3.960 0.000 0.000 0.212 518 G HA3 -0.078 3.882 3.960 0.000 0.000 0.212 518 G C 1.223 176.131 174.900 0.013 0.000 1.173 518 G CA 0.366 45.494 45.100 0.046 0.000 0.779 518 G HN 0.433 nan 8.290 nan 0.000 0.540 519 S N -1.038 114.653 115.700 -0.015 0.000 2.486 519 S HA 0.332 4.802 4.470 0.000 0.000 0.220 519 S C 1.902 176.477 174.600 -0.042 0.000 1.011 519 S CA 0.967 59.134 58.200 -0.055 0.000 0.921 519 S CB 0.066 63.199 63.200 -0.111 0.000 0.785 519 S HN 1.309 nan 8.310 nan 0.000 0.517 520 G N 1.339 110.127 108.800 -0.020 0.000 2.143 520 G HA2 -0.273 3.687 3.960 0.000 0.000 0.249 520 G HA3 -0.273 3.687 3.960 0.000 0.000 0.249 520 G C 0.557 175.444 174.900 -0.021 0.000 0.981 520 G CA 0.408 45.498 45.100 -0.017 0.000 0.665 520 G HN 0.554 nan 8.290 nan 0.000 0.528 521 Q N -0.556 119.227 119.800 -0.028 0.000 2.444 521 Q HA 0.118 4.458 4.340 0.000 0.000 0.206 521 Q C 1.544 177.546 176.000 0.003 0.000 0.948 521 Q CA 0.486 56.267 55.803 -0.036 0.000 0.946 521 Q CB 0.078 28.768 28.738 -0.079 0.000 1.027 521 Q HN 0.621 nan 8.270 nan 0.000 0.513 522 N N 0.669 119.394 118.700 0.042 0.000 2.778 522 N HA -0.184 4.556 4.740 0.000 0.000 0.249 522 N C -0.481 175.166 175.510 0.228 0.000 1.069 522 N CA 0.507 53.630 53.050 0.120 0.000 0.831 522 N CB -1.061 37.473 38.487 0.077 0.000 1.142 522 N HN 0.225 nan 8.380 nan 0.000 0.573 523 N N 0.313 119.070 118.700 0.096 0.000 2.374 523 N HA 0.156 4.896 4.740 0.000 0.000 0.241 523 N C -0.491 175.102 175.510 0.138 0.000 1.262 523 N CA 0.980 54.013 53.050 -0.030 0.000 0.880 523 N CB 0.166 38.544 38.487 -0.183 0.000 1.105 523 N HN 0.379 nan 8.380 nan 0.000 0.438 524 Y N -1.571 118.788 120.300 0.100 0.000 2.588 524 Y HA 0.787 5.337 4.550 0.000 0.000 0.343 524 Y C -1.176 174.844 175.900 0.200 0.000 1.065 524 Y CA -1.630 56.518 58.100 0.080 0.000 1.038 524 Y CB 0.739 39.086 38.460 -0.188 0.000 1.297 524 Y HN 0.483 nan 8.280 nan 0.000 0.467 525 A N 1.579 124.632 122.820 0.387 0.000 2.343 525 A HA 0.558 4.878 4.320 0.000 0.000 0.316 525 A C -1.496 176.191 177.584 0.173 0.000 1.104 525 A CA -0.755 51.457 52.037 0.292 0.000 0.768 525 A CB 0.731 19.793 19.000 0.104 0.000 1.213 525 A HN 0.735 nan 8.150 nan 0.000 0.456 526 D N 1.623 122.085 120.400 0.105 0.000 2.274 526 D HA 0.401 5.041 4.640 0.000 0.000 0.239 526 D C -1.272 175.079 176.300 0.085 0.000 1.104 526 D CA 0.594 54.695 54.000 0.167 0.000 0.840 526 D CB 0.864 41.794 40.800 0.215 0.000 1.100 526 D HN 0.357 nan 8.370 nan 0.000 0.477 527 F N 2.184 122.246 119.950 0.186 0.000 2.291 527 F HA 0.080 4.607 4.527 0.000 0.000 0.368 527 F C 1.658 177.651 175.800 0.321 0.000 1.085 527 F CA -0.714 57.403 58.000 0.195 0.000 1.165 527 F CB 1.035 40.093 39.000 0.097 0.000 1.429 527 F HN 0.236 nan 8.300 nan 0.000 0.503 528 D N 2.507 123.045 120.400 0.230 0.000 2.126 528 D HA -0.219 4.421 4.640 0.000 0.000 0.190 528 D C -0.098 176.353 176.300 0.252 0.000 1.001 528 D CA 1.977 55.959 54.000 -0.031 0.000 0.841 528 D CB 0.213 40.902 40.800 -0.185 0.000 0.949 528 D HN 0.465 nan 8.370 nan 0.000 0.446 529 Y N -3.287 117.112 120.300 0.165 0.000 2.581 529 Y HA 0.503 5.053 4.550 0.000 0.000 0.337 529 Y C -1.687 174.282 175.900 0.115 0.000 1.108 529 Y CA -1.689 56.333 58.100 -0.129 0.000 1.033 529 Y CB 0.637 39.032 38.460 -0.108 0.000 1.318 529 Y HN -0.198 nan 8.280 nan 0.000 0.459 530 F N 4.628 124.535 119.950 -0.071 0.000 2.403 530 F HA 0.548 5.075 4.527 0.000 0.000 0.355 530 F C -1.357 174.643 175.800 0.333 0.000 1.119 530 F CA -1.310 56.822 58.000 0.221 0.000 1.007 530 F CB 1.109 40.309 39.000 0.333 0.000 1.194 530 F HN 0.784 nan 8.300 nan 0.000 0.443 531 L N 7.596 128.732 121.223 -0.145 0.000 2.265 531 L HA 0.413 4.753 4.340 0.000 0.000 0.288 531 L C -1.896 174.779 176.870 -0.325 0.000 1.058 531 L CA -0.705 54.087 54.840 -0.079 0.000 0.809 531 L CB 0.741 42.886 42.059 0.143 0.000 1.179 531 L HN 0.704 nan 8.230 nan 0.000 0.429 532 Y N 5.656 125.837 120.300 -0.198 0.000 2.376 532 Y HA 0.403 4.953 4.550 0.000 0.000 0.326 532 Y C -0.918 175.008 175.900 0.044 0.000 0.970 532 Y CA -0.896 57.134 58.100 -0.116 0.000 1.248 532 Y CB 1.051 39.459 38.460 -0.087 0.000 1.117 532 Y HN 0.585 nan 8.280 nan 0.000 0.476 533 K N 5.785 126.016 120.400 -0.281 0.000 2.507 533 K HA 0.249 4.569 4.320 0.000 0.000 0.253 533 K C -0.608 175.803 176.600 -0.314 0.000 0.969 533 K CA -0.606 55.535 56.287 -0.243 0.000 0.908 533 K CB 0.902 33.323 32.500 -0.131 0.000 1.127 533 K HN 0.811 nan 8.250 nan 0.000 0.437 534 E N 4.353 124.330 120.200 -0.371 0.000 2.467 534 E HA 0.016 4.367 4.350 0.000 0.000 0.264 534 E C -0.939 175.566 176.600 -0.159 0.000 1.020 534 E CA 0.217 56.445 56.400 -0.287 0.000 0.945 534 E CB 0.548 29.982 29.700 -0.442 0.000 0.942 534 E HN 0.494 nan 8.360 nan 0.000 0.449 535 L N 0.000 121.174 121.223 -0.081 0.000 2.949 535 L HA 0.000 4.340 4.340 0.000 0.000 0.249 535 L CA 0.000 54.799 54.840 -0.068 0.000 0.813 535 L CB 0.000 42.020 42.059 -0.064 0.000 0.961 535 L HN 0.000 nan 8.230 nan 0.000 0.502