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_D 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 0.000 176.615 176.600 0.025 0.000 0.988 3 K CA 0.000 56.298 56.287 0.019 0.000 0.838 3 K CB 0.000 32.511 32.500 0.019 0.000 1.064 4 I N 3.114 123.713 120.570 0.047 0.000 2.355 4 I HA 0.286 4.456 4.170 0.000 0.000 0.288 4 I C -0.564 175.593 176.117 0.068 0.000 0.999 4 I CA -0.579 60.757 61.300 0.059 0.000 1.163 4 I CB 1.583 39.630 38.000 0.078 0.000 1.316 4 I HN 0.059 nan 8.210 nan 0.000 0.454 5 K N 5.215 125.652 120.400 0.062 0.000 2.156 5 K HA 0.370 4.690 4.320 0.000 0.000 0.271 5 K C -0.513 176.123 176.600 0.060 0.000 0.995 5 K CA -0.710 55.615 56.287 0.063 0.000 0.890 5 K CB 0.994 33.530 32.500 0.059 0.000 1.073 5 K HN 0.490 nan 8.250 nan 0.000 0.454 6 N N 3.245 121.981 118.700 0.061 0.000 2.508 6 N HA 0.355 5.096 4.740 0.000 0.000 0.285 6 N C -2.558 172.980 175.510 0.046 0.000 1.144 6 N CA -1.550 51.525 53.050 0.042 0.000 0.978 6 N CB 1.108 39.630 38.487 0.059 0.000 1.180 6 N HN 0.364 nan 8.380 nan 0.000 0.484 7 P HA 0.254 nan 4.420 nan 0.000 0.279 7 P C 1.029 178.267 177.300 -0.103 0.000 1.239 7 P CA -0.437 62.626 63.100 -0.061 0.000 0.789 7 P CB 0.704 32.359 31.700 -0.075 0.000 0.933 8 I N 0.008 120.482 120.570 -0.160 0.000 2.439 8 I HA 0.007 4.177 4.170 0.000 0.000 0.251 8 I C 0.113 176.007 176.117 -0.371 0.000 1.139 8 I CA 1.172 62.363 61.300 -0.181 0.000 1.438 8 I CB -0.378 37.520 38.000 -0.170 0.000 1.085 8 I HN 0.087 nan 8.210 nan 0.000 0.427 9 L N 2.954 123.845 121.223 -0.553 0.000 2.319 9 L HA 0.454 4.794 4.340 0.000 0.000 0.281 9 L C -0.056 176.458 176.870 -0.593 0.000 1.005 9 L CA -0.541 53.787 54.840 -0.854 0.000 0.828 9 L CB 1.616 42.861 42.059 -1.357 0.000 1.227 9 L HN 0.196 nan 8.230 nan 0.000 0.415 10 T N -0.527 113.765 114.554 -0.436 0.000 2.952 10 T HA 0.824 5.174 4.350 0.000 0.000 0.286 10 T C 0.572 175.235 174.700 -0.062 0.000 1.024 10 T CA -0.025 61.951 62.100 -0.207 0.000 1.029 10 T CB 1.916 70.639 68.868 -0.241 0.000 1.094 10 T HN 0.947 nan 8.240 nan 0.000 0.515 11 G N 1.003 109.766 108.800 -0.062 0.000 2.740 11 G HA2 -0.177 3.783 3.960 0.000 0.000 0.250 11 G HA3 -0.177 3.783 3.960 0.000 0.000 0.250 11 G C -0.284 174.693 174.900 0.129 0.000 1.358 11 G CA -0.196 44.899 45.100 -0.009 0.000 0.897 11 G HN 1.498 nan 8.290 nan 0.000 0.567 12 F N 2.179 122.004 119.950 -0.208 0.000 2.452 12 F HA 0.390 4.917 4.527 0.000 0.000 0.358 12 F C 0.737 176.253 175.800 -0.474 0.000 1.141 12 F CA 0.355 58.210 58.000 -0.242 0.000 1.004 12 F CB -0.703 38.153 39.000 -0.239 0.000 1.046 12 F HN 0.511 nan 8.300 nan 0.000 0.575 13 H N 5.088 124.040 119.070 -0.198 0.000 2.696 13 H HA 0.306 4.862 4.556 0.000 0.000 0.221 13 H C -2.659 172.586 175.328 -0.138 0.000 1.399 13 H CA -1.302 54.576 56.048 -0.284 0.000 1.408 13 H CB 0.456 30.047 29.762 -0.284 0.000 1.853 13 H HN 0.355 nan 8.280 nan 0.000 0.546 14 P HA 0.141 nan 4.420 nan 0.000 0.278 14 P C -0.335 176.981 177.300 0.026 0.000 1.266 14 P CA -0.463 62.689 63.100 0.086 0.000 0.807 14 P CB 0.748 32.579 31.700 0.219 0.000 1.094 15 D N -1.886 118.505 120.400 -0.016 0.000 2.735 15 D HA -0.117 4.523 4.640 0.000 0.000 0.235 15 D C -2.022 174.315 176.300 0.062 0.000 1.175 15 D CA 0.342 54.267 54.000 -0.126 0.000 0.683 15 D CB -1.610 38.997 40.800 -0.323 0.000 1.008 15 D HN 0.329 nan 8.370 nan 0.000 0.416 16 P HA 0.059 nan 4.420 nan 0.000 0.271 16 P C -0.186 177.228 177.300 0.190 0.000 1.233 16 P CA 0.134 63.290 63.100 0.094 0.000 0.764 16 P CB 1.286 32.999 31.700 0.021 0.000 0.825 17 S N 4.318 120.129 115.700 0.184 0.000 2.438 17 S HA 0.464 4.934 4.470 0.000 0.000 0.316 17 S C -0.341 174.377 174.600 0.197 0.000 1.084 17 S CA -0.892 57.437 58.200 0.215 0.000 1.107 17 S CB -0.184 63.171 63.200 0.258 0.000 0.981 17 S HN 0.423 nan 8.310 nan 0.000 0.466 18 I N 5.074 125.778 120.570 0.224 0.000 2.359 18 I HA 0.555 4.726 4.170 0.000 0.000 0.294 18 I C -0.727 175.601 176.117 0.352 0.000 0.987 18 I CA -0.524 60.954 61.300 0.295 0.000 1.225 18 I CB 0.933 39.115 38.000 0.303 0.000 1.366 18 I HN 0.742 nan 8.210 nan 0.000 0.466 19 C N 8.228 127.786 119.300 0.431 0.000 2.340 19 C HA 0.516 4.976 4.460 0.000 0.000 0.323 19 C C -0.151 175.110 174.990 0.451 0.000 1.260 19 C CA -0.618 58.674 59.018 0.457 0.000 1.464 19 C CB 0.809 28.863 27.740 0.523 0.000 2.156 19 C HN 0.902 nan 8.230 nan 0.000 0.476 20 R N 4.446 125.136 120.500 0.317 0.000 2.265 20 R HA 0.686 5.026 4.340 0.000 0.000 0.319 20 R C -1.407 174.892 176.300 -0.002 0.000 1.006 20 R CA -0.244 55.891 56.100 0.057 0.000 0.880 20 R CB 0.966 31.311 30.300 0.074 0.000 1.077 20 R HN 0.647 nan 8.270 nan 0.000 0.454 21 V N 5.762 125.594 119.914 -0.137 0.000 2.349 21 V HA 0.364 4.484 4.120 0.000 0.000 0.284 21 V C 1.110 177.011 176.094 -0.321 0.000 1.014 21 V CA 0.091 62.230 62.300 -0.269 0.000 0.826 21 V CB 0.667 32.254 31.823 -0.393 0.000 1.009 21 V HN 1.169 nan 8.190 nan 0.000 0.431 22 G N 5.012 113.642 108.800 -0.282 0.000 2.698 22 G HA2 -0.360 3.600 3.960 0.000 0.000 0.337 22 G HA3 -0.360 3.600 3.960 0.000 0.000 0.337 22 G C 0.592 175.229 174.900 -0.437 0.000 1.196 22 G CA 0.928 45.861 45.100 -0.279 0.000 0.965 22 G HN 0.990 nan 8.290 nan 0.000 0.550 23 D N 0.965 121.059 120.400 -0.510 0.000 2.501 23 D HA 0.246 4.886 4.640 0.000 0.000 0.224 23 D C -0.389 175.636 176.300 -0.458 0.000 1.202 23 D CA 0.071 53.649 54.000 -0.703 0.000 0.829 23 D CB 0.056 40.364 40.800 -0.820 0.000 1.023 23 D HN 0.378 nan 8.370 nan 0.000 0.499 24 D N 0.417 120.503 120.400 -0.524 0.000 2.185 24 D HA 0.262 4.902 4.640 0.000 0.000 0.247 24 D C -0.841 174.988 176.300 -0.785 0.000 1.027 24 D CA -0.253 53.520 54.000 -0.379 0.000 0.861 24 D CB 1.449 42.142 40.800 -0.180 0.000 1.202 24 D HN 0.067 nan 8.370 nan 0.000 0.453 25 Y N 1.011 121.121 120.300 -0.317 0.000 2.391 25 Y HA 0.358 4.908 4.550 0.000 0.000 0.341 25 Y C -0.674 175.117 175.900 -0.181 0.000 0.965 25 Y CA -0.878 57.113 58.100 -0.182 0.000 1.067 25 Y CB 1.399 39.804 38.460 -0.093 0.000 1.199 25 Y HN 0.217 nan 8.280 nan 0.000 0.450 26 Y N 3.173 123.806 120.300 0.554 0.000 2.425 26 Y HA 0.672 5.222 4.550 0.000 0.000 0.344 26 Y C -0.576 175.593 175.900 0.449 0.000 0.969 26 Y CA -1.171 57.241 58.100 0.521 0.000 1.052 26 Y CB 1.680 40.331 38.460 0.319 0.000 1.215 26 Y HN 0.377 nan 8.280 nan 0.000 0.451 27 I N 2.911 123.775 120.570 0.490 0.000 2.406 27 I HA 0.658 4.828 4.170 0.000 0.000 0.290 27 I C -0.431 175.800 176.117 0.191 0.000 0.999 27 I CA -0.951 60.464 61.300 0.191 0.000 1.124 27 I CB 1.672 39.554 38.000 -0.197 0.000 1.289 27 I HN 0.751 nan 8.210 nan 0.000 0.441 28 A N 6.780 129.688 122.820 0.147 0.000 2.290 28 A HA 0.758 5.078 4.320 0.000 0.000 0.310 28 A C -0.315 177.309 177.584 0.066 0.000 1.202 28 A CA -0.477 51.612 52.037 0.088 0.000 0.837 28 A CB 0.974 20.008 19.000 0.057 0.000 1.139 28 A HN 0.594 nan 8.150 nan 0.000 0.509 29 V N 0.868 120.803 119.914 0.035 0.000 2.919 29 V HA 0.852 4.972 4.120 0.000 0.000 0.316 29 V C 0.228 176.282 176.094 -0.067 0.000 1.077 29 V CA -0.350 61.945 62.300 -0.009 0.000 0.977 29 V CB 1.390 33.203 31.823 -0.017 0.000 1.039 29 V HN 1.121 nan 8.190 nan 0.000 0.441 30 S N 1.358 117.018 115.700 -0.066 0.000 2.592 30 S HA 0.472 4.943 4.470 0.000 0.000 0.271 30 S C 0.712 175.288 174.600 -0.040 0.000 1.326 30 S CA 0.214 58.360 58.200 -0.089 0.000 1.024 30 S CB 0.999 64.118 63.200 -0.136 0.000 0.921 30 S HN 1.405 nan 8.310 nan 0.000 0.527 31 T N -2.136 112.445 114.554 0.046 0.000 3.016 31 T HA 0.333 4.683 4.350 0.000 0.000 0.271 31 T C 0.465 175.571 174.700 0.677 0.000 0.968 31 T CA -0.299 61.993 62.100 0.321 0.000 0.891 31 T CB -0.814 68.122 68.868 0.113 0.000 1.149 31 T HN 0.528 nan 8.240 nan 0.000 0.524 32 F N 2.744 122.921 119.950 0.378 0.000 2.512 32 F HA -0.348 4.180 4.527 0.000 0.000 0.290 32 F C 1.852 177.787 175.800 0.225 0.000 1.459 32 F CA 1.914 60.123 58.000 0.349 0.000 1.366 32 F CB -1.082 38.121 39.000 0.339 0.000 3.242 32 F HN 0.319 nan 8.300 nan 0.000 0.190 33 E N 0.669 121.045 120.200 0.293 0.000 2.511 33 E HA -0.069 4.281 4.350 0.000 0.000 0.196 33 E C -0.090 176.429 176.600 -0.137 0.000 1.066 33 E CA 0.670 57.063 56.400 -0.011 0.000 0.871 33 E CB -0.456 29.130 29.700 -0.189 0.000 0.863 33 E HN 0.501 nan 8.360 nan 0.000 0.520 34 W N 0.963 122.338 121.300 0.125 0.000 2.316 34 W HA 0.381 5.041 4.660 0.000 0.000 0.311 34 W C -0.233 176.341 176.519 0.092 0.000 1.217 34 W CA -0.825 56.554 57.345 0.058 0.000 1.199 34 W CB 0.483 29.980 29.460 0.061 0.000 1.202 34 W HN -0.126 nan 8.180 nan 0.000 0.528 35 F N 6.554 126.606 119.950 0.170 0.000 2.450 35 F HA 0.522 5.049 4.527 0.000 0.000 0.332 35 F C -1.707 174.138 175.800 0.076 0.000 1.093 35 F CA -2.835 55.206 58.000 0.069 0.000 1.003 35 F CB 1.068 40.066 39.000 -0.003 0.000 1.151 35 F HN 0.095 nan 8.300 nan 0.000 0.474 36 P HA 0.232 nan 4.420 nan 0.000 0.277 36 P C -0.687 176.209 177.300 -0.673 0.000 1.271 36 P CA -0.347 61.992 63.100 -1.267 0.000 0.795 36 P CB 0.661 31.842 31.700 -0.864 0.000 1.101 37 G N -0.582 107.793 108.800 -0.709 0.000 2.390 37 G HA2 0.462 4.422 3.960 0.000 0.000 0.270 37 G HA3 0.462 4.422 3.960 0.000 0.000 0.270 37 G C -0.603 174.063 174.900 -0.391 0.000 1.211 37 G CA -0.405 44.443 45.100 -0.420 0.000 0.842 37 G HN 0.441 nan 8.290 nan 0.000 0.519 38 V N 0.799 120.547 119.914 -0.276 0.000 3.532 38 V HA -0.195 3.925 4.120 0.000 0.000 0.505 38 V C 0.113 176.051 176.094 -0.260 0.000 0.682 38 V CA 0.340 62.484 62.300 -0.260 0.000 2.056 38 V CB -0.672 30.953 31.823 -0.332 0.000 2.484 38 V HN 1.102 nan 8.190 nan 0.000 0.509 39 R N 4.613 124.996 120.500 -0.196 0.000 2.445 39 R HA 0.796 5.136 4.340 0.000 0.000 0.308 39 R C -0.471 175.748 176.300 -0.135 0.000 0.961 39 R CA -0.693 55.282 56.100 -0.208 0.000 0.862 39 R CB 1.787 31.994 30.300 -0.155 0.000 1.144 39 R HN 0.655 nan 8.270 nan 0.000 0.447 40 I N 3.443 123.873 120.570 -0.232 0.000 2.406 40 I HA 0.343 4.513 4.170 0.000 0.000 0.290 40 I C -0.866 175.166 176.117 -0.142 0.000 0.999 40 I CA -0.926 60.328 61.300 -0.077 0.000 1.124 40 I CB 1.248 39.207 38.000 -0.068 0.000 1.289 40 I HN 0.450 nan 8.210 nan 0.000 0.441 41 Y N 4.061 124.451 120.300 0.150 0.000 2.446 41 Y HA 0.429 4.979 4.550 0.000 0.000 0.338 41 Y C 0.150 176.378 175.900 0.547 0.000 1.055 41 Y CA -0.529 57.737 58.100 0.277 0.000 1.101 41 Y CB 1.490 40.095 38.460 0.243 0.000 1.221 41 Y HN 0.485 nan 8.280 nan 0.000 0.460 42 H N 0.939 120.254 119.070 0.407 0.000 2.621 42 H HA 0.715 5.271 4.556 0.000 0.000 0.360 42 H C -1.291 173.953 175.328 -0.139 0.000 1.163 42 H CA -0.445 55.666 56.048 0.106 0.000 1.194 42 H CB 2.136 31.848 29.762 -0.084 0.000 1.649 42 H HN 0.655 nan 8.280 nan 0.000 0.532 43 S N 2.709 117.799 115.700 -1.015 0.000 2.537 43 S HA 0.246 4.716 4.470 0.000 0.000 0.271 43 S C -0.284 173.930 174.600 -0.643 0.000 1.148 43 S CA -0.799 56.816 58.200 -0.975 0.000 0.868 43 S CB 1.819 63.802 63.200 -2.028 0.000 1.115 43 S HN 0.732 nan 8.310 nan 0.000 0.461 44 K N 1.259 121.455 120.400 -0.341 0.000 2.354 44 K HA 0.184 4.504 4.320 0.000 0.000 0.194 44 K C 0.013 176.531 176.600 -0.136 0.000 1.045 44 K CA 0.849 57.054 56.287 -0.136 0.000 1.026 44 K CB 0.249 32.681 32.500 -0.114 0.000 0.866 44 K HN 0.828 nan 8.250 nan 0.000 0.530 45 D N -0.984 119.225 120.400 -0.318 0.000 2.525 45 D HA 0.080 4.720 4.640 0.000 0.000 0.231 45 D C 0.822 176.872 176.300 -0.416 0.000 1.216 45 D CA -0.250 53.557 54.000 -0.321 0.000 0.813 45 D CB -0.053 40.586 40.800 -0.269 0.000 1.108 45 D HN 0.003 nan 8.370 nan 0.000 0.524 46 L N -1.064 119.844 121.223 -0.525 0.000 5.174 46 L HA -0.334 4.006 4.340 0.000 0.000 0.420 46 L C 1.622 178.452 176.870 -0.067 0.000 0.973 46 L CA 1.640 56.273 54.840 -0.344 0.000 1.381 46 L CB -1.194 40.590 42.059 -0.458 0.000 1.819 46 L HN 0.260 nan 8.230 nan 0.000 0.645 47 K N 0.328 120.600 120.400 -0.214 0.000 2.225 47 K HA 0.116 4.436 4.320 0.000 0.000 0.204 47 K C 0.720 177.303 176.600 -0.028 0.000 1.047 47 K CA 0.291 56.554 56.287 -0.041 0.000 0.970 47 K CB 0.408 32.856 32.500 -0.086 0.000 0.939 47 K HN 0.244 nan 8.250 nan 0.000 0.472 48 N N 0.310 118.865 118.700 -0.242 0.000 2.456 48 N HA 0.125 4.865 4.740 0.000 0.000 0.288 48 N C -1.480 173.933 175.510 -0.161 0.000 1.059 48 N CA -0.066 52.929 53.050 -0.092 0.000 0.946 48 N CB 0.888 39.243 38.487 -0.220 0.000 1.150 48 N HN 0.129 nan 8.380 nan 0.000 0.479 49 W N 1.386 122.886 121.300 0.333 0.000 2.900 49 W HA 0.370 5.030 4.660 0.000 0.000 0.336 49 W C 0.082 176.733 176.519 0.220 0.000 1.064 49 W CA -0.919 56.568 57.345 0.236 0.000 1.237 49 W CB 1.483 30.955 29.460 0.021 0.000 1.391 49 W HN 0.337 nan 8.180 nan 0.000 0.468 50 R N 2.201 122.810 120.500 0.182 0.000 2.740 50 R HA 0.803 5.143 4.340 0.000 0.000 0.282 50 R C -1.265 175.097 176.300 0.102 0.000 0.969 50 R CA -1.219 54.929 56.100 0.079 0.000 0.918 50 R CB 1.715 31.782 30.300 -0.389 0.000 1.175 50 R HN 0.488 nan 8.270 nan 0.000 0.464 51 L N 3.478 124.619 121.223 -0.137 0.000 2.418 51 L HA 0.081 4.421 4.340 0.000 0.000 0.274 51 L C 0.412 177.070 176.870 -0.353 0.000 1.135 51 L CA 0.340 54.773 54.840 -0.678 0.000 0.870 51 L CB 1.536 42.971 42.059 -1.039 0.000 1.154 51 L HN 0.768 nan 8.230 nan 0.000 0.462 52 V N 2.015 121.769 119.914 -0.267 0.000 3.502 52 V HA 0.777 4.897 4.120 0.000 0.000 0.288 52 V C 0.430 176.448 176.094 -0.126 0.000 1.461 52 V CA 0.389 62.612 62.300 -0.128 0.000 1.029 52 V CB -0.487 31.318 31.823 -0.031 0.000 0.843 52 V HN 0.924 nan 8.190 nan 0.000 0.438 53 A N 0.622 123.328 122.820 -0.191 0.000 2.577 53 A HA 0.844 5.165 4.320 0.000 0.000 0.297 53 A C -0.680 176.763 177.584 -0.236 0.000 1.060 53 A CA -0.746 51.201 52.037 -0.150 0.000 0.697 53 A CB 1.407 20.363 19.000 -0.074 0.000 1.281 53 A HN 0.269 nan 8.150 nan 0.000 0.402 54 R N 2.572 122.942 120.500 -0.217 0.000 2.585 54 R HA 0.301 4.641 4.340 0.000 0.000 0.278 54 R C -2.309 173.793 176.300 -0.331 0.000 1.663 54 R CA -1.490 54.438 56.100 -0.286 0.000 1.592 54 R CB 1.225 31.372 30.300 -0.255 0.000 1.200 54 R HN 0.429 nan 8.270 nan 0.000 0.611 55 P HA -0.152 nan 4.420 nan 0.000 0.216 55 P C 0.027 176.998 177.300 -0.547 0.000 1.150 55 P CA 1.119 63.796 63.100 -0.705 0.000 0.837 55 P CB 0.309 31.184 31.700 -1.374 0.000 0.786 56 L N 0.552 121.441 121.223 -0.557 0.000 2.449 56 L HA 0.265 4.605 4.340 0.000 0.000 0.255 56 L C 0.557 177.146 176.870 -0.469 0.000 1.167 56 L CA -0.265 54.275 54.840 -0.500 0.000 1.090 56 L CB -0.477 41.203 42.059 -0.631 0.000 1.385 56 L HN 0.022 nan 8.230 nan 0.000 0.411 57 N N 0.361 118.900 118.700 -0.267 0.000 2.197 57 N HA 0.090 4.830 4.740 0.000 0.000 0.228 57 N C 0.093 175.703 175.510 0.167 0.000 1.212 57 N CA -0.471 52.484 53.050 -0.157 0.000 0.883 57 N CB 0.593 38.999 38.487 -0.136 0.000 1.107 57 N HN 0.288 nan 8.380 nan 0.000 0.519 58 R N 0.405 120.977 120.500 0.119 0.000 2.445 58 R HA 0.339 4.679 4.340 0.000 0.000 0.308 58 R C 0.741 177.121 176.300 0.134 0.000 0.961 58 R CA -0.819 55.356 56.100 0.126 0.000 0.862 58 R CB 1.929 32.265 30.300 0.059 0.000 1.144 58 R HN 0.007 nan 8.270 nan 0.000 0.447 59 L N 1.507 122.784 121.223 0.090 0.000 2.151 59 L HA -0.320 4.020 4.340 0.000 0.000 0.215 59 L C 2.283 179.164 176.870 0.018 0.000 1.084 59 L CA 2.350 57.207 54.840 0.028 0.000 0.764 59 L CB -0.488 41.554 42.059 -0.029 0.000 0.891 59 L HN 0.768 nan 8.230 nan 0.000 0.435 60 S N -1.337 114.373 115.700 0.016 0.000 2.423 60 S HA -0.226 4.244 4.470 0.000 0.000 0.231 60 S C 1.708 176.299 174.600 -0.015 0.000 1.014 60 S CA 1.003 59.203 58.200 0.000 0.000 0.965 60 S CB -0.122 63.084 63.200 0.010 0.000 0.785 60 S HN 0.549 nan 8.310 nan 0.000 0.495 61 Q N -0.304 119.496 119.800 -0.000 0.000 2.204 61 Q HA 0.421 4.762 4.340 0.000 0.000 0.198 61 Q C -0.372 175.608 176.000 -0.034 0.000 0.946 61 Q CA 0.437 56.230 55.803 -0.016 0.000 0.859 61 Q CB 0.209 28.918 28.738 -0.047 0.000 0.946 61 Q HN 0.469 nan 8.270 nan 0.000 0.474 62 L N 1.169 122.401 121.223 0.015 0.000 2.528 62 L HA 0.436 4.776 4.340 0.000 0.000 0.267 62 L C -1.962 174.982 176.870 0.124 0.000 0.961 62 L CA -0.413 54.469 54.840 0.070 0.000 0.866 62 L CB 1.959 44.046 42.059 0.046 0.000 1.248 62 L HN -0.106 nan 8.230 nan 0.000 0.404 63 N N 5.575 124.315 118.700 0.067 0.000 2.573 63 N HA 0.427 5.167 4.740 0.000 0.000 0.262 63 N C -0.607 174.918 175.510 0.026 0.000 1.029 63 N CA -0.254 52.810 53.050 0.024 0.000 0.882 63 N CB 1.008 39.494 38.487 -0.001 0.000 1.204 63 N HN 0.713 nan 8.380 nan 0.000 0.519 64 M N 2.850 122.453 119.600 0.006 0.000 2.576 64 M HA 0.263 4.744 4.480 0.000 0.000 0.322 64 M C 0.388 176.637 176.300 -0.085 0.000 1.184 64 M CA -0.627 54.670 55.300 -0.005 0.000 0.967 64 M CB 0.332 32.955 32.600 0.039 0.000 1.372 64 M HN 0.410 nan 8.290 nan 0.000 0.509 65 I N 1.440 121.954 120.570 -0.094 0.000 2.741 65 I HA 0.078 4.248 4.170 0.000 0.000 0.288 65 I C 1.290 177.272 176.117 -0.225 0.000 1.192 65 I CA 1.652 62.870 61.300 -0.136 0.000 1.426 65 I CB 0.361 38.343 38.000 -0.029 0.000 1.367 65 I HN 0.679 nan 8.210 nan 0.000 0.563 66 G N 4.197 112.644 108.800 -0.588 0.000 2.234 66 G HA2 -0.332 3.628 3.960 0.000 0.000 0.260 66 G HA3 -0.332 3.628 3.960 0.000 0.000 0.260 66 G C 0.430 175.081 174.900 -0.414 0.000 0.987 66 G CA 0.193 44.787 45.100 -0.842 0.000 0.625 66 G HN 0.672 nan 8.290 nan 0.000 0.532 67 N N 2.484 121.034 118.700 -0.249 0.000 2.353 67 N HA 0.338 5.078 4.740 0.000 0.000 0.248 67 N C -1.783 173.658 175.510 -0.116 0.000 1.240 67 N CA -0.320 52.657 53.050 -0.122 0.000 0.862 67 N CB 0.731 39.185 38.487 -0.054 0.000 1.086 67 N HN 0.313 nan 8.380 nan 0.000 0.453 68 P HA 0.078 nan 4.420 nan 0.000 0.274 68 P C -0.806 176.503 177.300 0.015 0.000 1.231 68 P CA -0.323 62.767 63.100 -0.016 0.000 0.790 68 P CB 0.559 32.273 31.700 0.024 0.000 0.951 69 D N 0.898 121.296 120.400 -0.004 0.000 2.648 69 D HA -0.050 4.590 4.640 0.000 0.000 0.229 69 D C 0.796 177.137 176.300 0.068 0.000 1.119 69 D CA 1.094 55.091 54.000 -0.004 0.000 0.850 69 D CB -0.308 40.478 40.800 -0.023 0.000 1.169 69 D HN 0.318 nan 8.370 nan 0.000 0.489 70 S N -0.214 115.552 115.700 0.111 0.000 3.382 70 S HA -0.145 4.325 4.470 0.000 0.000 0.293 70 S C 0.879 175.920 174.600 0.734 0.000 1.262 70 S CA 0.842 59.209 58.200 0.278 0.000 0.969 70 S CB -1.104 62.080 63.200 -0.026 0.000 1.136 70 S HN 0.777 nan 8.310 nan 0.000 0.635 71 G N -0.062 109.037 108.800 0.498 0.000 2.574 71 G HA2 0.681 4.641 3.960 0.000 0.000 0.248 71 G HA3 0.681 4.641 3.960 0.000 0.000 0.248 71 G C 0.963 176.136 174.900 0.455 0.000 1.422 71 G CA 0.332 45.701 45.100 0.449 0.000 1.051 71 G HN 1.478 nan 8.290 nan 0.000 0.560 72 G N -1.731 107.186 108.800 0.194 0.000 2.561 72 G HA2 -0.194 3.766 3.960 0.000 0.000 0.289 72 G HA3 -0.194 3.766 3.960 0.000 0.000 0.289 72 G C 0.134 175.123 174.900 0.147 0.000 1.169 72 G CA 0.364 45.558 45.100 0.156 0.000 0.980 72 G HN 1.486 nan 8.290 nan 0.000 0.550 73 V N 1.646 121.629 119.914 0.115 0.000 2.370 73 V HA 0.421 4.541 4.120 0.000 0.000 0.257 73 V C 0.576 176.524 176.094 -0.242 0.000 1.064 73 V CA -0.106 62.208 62.300 0.023 0.000 0.975 73 V CB 0.049 31.862 31.823 -0.017 0.000 1.067 73 V HN 0.462 nan 8.190 nan 0.000 0.485 74 W N 2.300 123.312 121.300 -0.480 0.000 1.807 74 W HA 0.614 5.274 4.660 0.000 0.000 0.493 74 W C 0.950 177.263 176.519 -0.343 0.000 2.080 74 W CA -0.922 56.017 57.345 -0.676 0.000 2.345 74 W CB 0.140 29.403 29.460 -0.329 0.000 1.717 74 W HN 0.526 nan 8.180 nan 0.000 0.777 75 A N 4.037 126.879 122.820 0.036 0.000 2.573 75 A HA 0.158 4.478 4.320 0.000 0.000 0.250 75 A C -2.001 175.699 177.584 0.192 0.000 1.049 75 A CA -0.332 51.749 52.037 0.074 0.000 0.767 75 A CB -1.388 17.669 19.000 0.095 0.000 0.965 75 A HN 0.188 nan 8.150 nan 0.000 0.514 76 P HA 0.410 nan 4.420 nan 0.000 0.283 76 P C -1.096 176.413 177.300 0.348 0.000 1.271 76 P CA -0.277 62.963 63.100 0.233 0.000 0.841 76 P CB 1.212 32.986 31.700 0.123 0.000 1.122 77 H N 0.392 119.611 119.070 0.248 0.000 2.906 77 H HA 0.528 5.084 4.556 0.000 0.000 0.324 77 H C -1.508 173.994 175.328 0.289 0.000 0.973 77 H CA -0.716 55.505 56.048 0.289 0.000 1.321 77 H CB 0.428 30.373 29.762 0.307 0.000 1.535 77 H HN 0.149 nan 8.280 nan 0.000 0.518 78 L N 5.090 126.245 121.223 -0.113 0.000 2.272 78 L HA 0.591 4.931 4.340 0.000 0.000 0.289 78 L C -0.617 176.202 176.870 -0.084 0.000 1.032 78 L CA 0.051 54.902 54.840 0.018 0.000 0.810 78 L CB 0.821 42.971 42.059 0.151 0.000 1.205 78 L HN 0.787 nan 8.230 nan 0.000 0.422 79 S N 3.699 119.515 115.700 0.193 0.000 2.704 79 S HA 0.671 5.141 4.470 0.000 0.000 0.296 79 S C -1.241 173.676 174.600 0.528 0.000 1.138 79 S CA -0.692 57.722 58.200 0.357 0.000 0.875 79 S CB 1.460 64.963 63.200 0.505 0.000 1.151 79 S HN 0.568 nan 8.310 nan 0.000 0.500 80 Y N 0.234 120.655 120.300 0.202 0.000 2.386 80 Y HA 0.681 5.231 4.550 0.000 0.000 0.334 80 Y C -0.602 175.191 175.900 -0.178 0.000 1.002 80 Y CA 0.008 58.096 58.100 -0.020 0.000 1.068 80 Y CB 1.848 40.146 38.460 -0.270 0.000 1.203 80 Y HN 1.067 nan 8.280 nan 0.000 0.443 81 S N 3.544 119.011 115.700 -0.388 0.000 2.567 81 S HA 0.312 4.783 4.470 0.000 0.000 0.270 81 S C -1.546 172.961 174.600 -0.156 0.000 1.152 81 S CA -0.518 57.466 58.200 -0.359 0.000 0.835 81 S CB 0.945 63.554 63.200 -0.985 0.000 1.115 81 S HN 0.834 nan 8.310 nan 0.000 0.459 82 D N 1.654 121.999 120.400 -0.091 0.000 2.701 82 D HA -0.165 4.475 4.640 0.000 0.000 0.235 82 D C 0.964 177.205 176.300 -0.098 0.000 1.155 82 D CA 2.411 56.403 54.000 -0.012 0.000 0.649 82 D CB -1.493 39.382 40.800 0.125 0.000 1.050 82 D HN 1.527 nan 8.370 nan 0.000 0.425 83 G N -0.575 108.083 108.800 -0.236 0.000 2.217 83 G HA2 -0.336 3.625 3.960 0.000 0.000 0.246 83 G HA3 -0.336 3.625 3.960 0.000 0.000 0.246 83 G C 0.291 174.883 174.900 -0.513 0.000 0.990 83 G CA 0.947 45.901 45.100 -0.243 0.000 0.627 83 G HN 0.810 nan 8.290 nan 0.000 0.522 84 K N -0.853 119.070 120.400 -0.796 0.000 2.439 84 K HA 0.782 5.103 4.320 0.000 0.000 0.260 84 K C -0.963 175.020 176.600 -1.029 0.000 1.032 84 K CA -1.306 54.466 56.287 -0.857 0.000 0.882 84 K CB 1.180 33.326 32.500 -0.590 0.000 1.420 84 K HN -0.009 nan 8.250 nan 0.000 0.455 85 F N 0.654 120.308 119.950 -0.494 0.000 2.384 85 F HA 0.360 4.887 4.527 0.000 0.000 0.338 85 F C -0.630 175.124 175.800 -0.077 0.000 1.103 85 F CA 0.054 57.994 58.000 -0.100 0.000 1.157 85 F CB 0.746 39.716 39.000 -0.051 0.000 1.167 85 F HN 0.367 nan 8.300 nan 0.000 0.529 86 W N 5.261 126.780 121.300 0.365 0.000 2.538 86 W HA 0.614 5.274 4.660 0.000 0.000 0.322 86 W C -1.383 175.378 176.519 0.404 0.000 1.028 86 W CA -0.844 56.722 57.345 0.367 0.000 1.228 86 W CB 1.290 30.934 29.460 0.306 0.000 1.356 86 W HN 0.173 nan 8.180 nan 0.000 0.452 87 L N 5.833 127.415 121.223 0.598 0.000 2.325 87 L HA 0.641 4.981 4.340 0.000 0.000 0.281 87 L C -0.964 176.132 176.870 0.377 0.000 1.004 87 L CA -0.722 54.337 54.840 0.364 0.000 0.823 87 L CB 0.565 42.631 42.059 0.013 0.000 1.236 87 L HN 0.210 nan 8.230 nan 0.000 0.415 88 I N 5.837 126.620 120.570 0.355 0.000 2.412 88 I HA 0.482 4.652 4.170 0.000 0.000 0.296 88 I C -0.467 175.862 176.117 0.354 0.000 0.987 88 I CA -0.563 60.911 61.300 0.291 0.000 1.180 88 I CB 0.940 39.079 38.000 0.232 0.000 1.340 88 I HN 0.757 nan 8.210 nan 0.000 0.455 89 Y N 1.501 121.887 120.300 0.143 0.000 2.638 89 Y HA 0.746 5.297 4.550 0.000 0.000 0.335 89 Y C -0.916 175.076 175.900 0.153 0.000 1.155 89 Y CA -1.028 57.150 58.100 0.130 0.000 1.046 89 Y CB 1.325 39.836 38.460 0.085 0.000 1.303 89 Y HN 0.415 nan 8.280 nan 0.000 0.460 90 T N 1.732 116.429 114.554 0.238 0.000 2.829 90 T HA 0.302 4.652 4.350 0.000 0.000 0.280 90 T C -1.711 173.106 174.700 0.195 0.000 0.999 90 T CA -0.527 61.631 62.100 0.096 0.000 0.983 90 T CB 1.325 70.208 68.868 0.025 0.000 0.968 90 T HN 0.673 nan 8.240 nan 0.000 0.446 91 D N 2.774 123.302 120.400 0.214 0.000 2.427 91 D HA 0.351 4.991 4.640 0.000 0.000 0.226 91 D C -0.599 175.675 176.300 -0.044 0.000 1.076 91 D CA -0.473 53.638 54.000 0.186 0.000 0.849 91 D CB 0.684 41.704 40.800 0.366 0.000 1.052 91 D HN 0.165 nan 8.370 nan 0.000 0.515 92 V N 5.978 125.769 119.914 -0.205 0.000 2.406 92 V HA 0.191 4.311 4.120 0.000 0.000 0.272 92 V C 1.287 177.247 176.094 -0.223 0.000 1.043 92 V CA -0.421 61.624 62.300 -0.426 0.000 0.915 92 V CB 1.407 32.606 31.823 -1.039 0.000 0.988 92 V HN 0.465 nan 8.190 nan 0.000 0.466 93 K N 3.230 123.497 120.400 -0.221 0.000 2.242 93 K HA 0.244 4.565 4.320 0.000 0.000 0.200 93 K C 0.092 176.632 176.600 -0.101 0.000 1.050 93 K CA 0.690 56.906 56.287 -0.119 0.000 0.981 93 K CB 0.669 33.113 32.500 -0.093 0.000 0.795 93 K HN 0.457 nan 8.250 nan 0.000 0.477 94 V N 1.945 121.768 119.914 -0.152 0.000 2.531 94 V HA 0.187 4.308 4.120 0.000 0.000 0.301 94 V C 0.388 176.422 176.094 -0.100 0.000 1.034 94 V CA -0.635 61.612 62.300 -0.087 0.000 0.865 94 V CB 1.985 33.768 31.823 -0.066 0.000 0.995 94 V HN 0.027 nan 8.190 nan 0.000 0.424 95 V N 0.702 120.625 119.914 0.016 0.000 3.337 95 V HA 0.557 4.677 4.120 0.000 0.000 0.307 95 V C 0.141 176.324 176.094 0.148 0.000 1.505 95 V CA 0.102 62.472 62.300 0.117 0.000 1.072 95 V CB 0.096 32.083 31.823 0.275 0.000 0.929 95 V HN 0.787 nan 8.190 nan 0.000 0.455 96 E N 0.386 120.654 120.200 0.114 0.000 2.314 96 E HA 0.666 5.016 4.350 0.000 0.000 0.272 96 E C 0.185 176.882 176.600 0.161 0.000 0.884 96 E CA -0.114 56.368 56.400 0.136 0.000 0.753 96 E CB 2.305 32.070 29.700 0.108 0.000 1.213 96 E HN 0.600 nan 8.360 nan 0.000 0.432 97 G N 1.480 110.389 108.800 0.181 0.000 2.472 97 G HA2 -0.238 3.722 3.960 0.000 0.000 0.205 97 G HA3 -0.238 3.722 3.960 0.000 0.000 0.205 97 G C 0.261 175.281 174.900 0.200 0.000 1.270 97 G CA -0.481 44.737 45.100 0.197 0.000 0.974 97 G HN 0.430 nan 8.290 nan 0.000 0.542 98 Q N -0.676 119.189 119.800 0.108 0.000 2.331 98 Q HA 0.101 4.442 4.340 0.000 0.000 0.203 98 Q C 0.760 176.729 176.000 -0.052 0.000 0.944 98 Q CA 0.963 56.680 55.803 -0.143 0.000 0.892 98 Q CB 0.252 28.542 28.738 -0.746 0.000 0.983 98 Q HN 0.525 nan 8.270 nan 0.000 0.482 99 W N 0.393 121.826 121.300 0.222 0.000 2.578 99 W HA 0.377 5.037 4.660 0.000 0.000 0.353 99 W C 0.477 176.775 176.519 -0.369 0.000 1.088 99 W CA -0.782 56.565 57.345 0.003 0.000 1.235 99 W CB 1.053 30.480 29.460 -0.055 0.000 1.362 99 W HN -0.215 nan 8.180 nan 0.000 0.592 100 K N 1.511 121.554 120.400 -0.595 0.000 3.278 100 K HA 0.110 4.430 4.320 0.000 0.000 0.200 100 K C -0.771 175.503 176.600 -0.544 0.000 1.107 100 K CA -0.143 55.695 56.287 -0.747 0.000 0.923 100 K CB -0.378 31.305 32.500 -1.362 0.000 0.787 100 K HN 0.140 nan 8.250 nan 0.000 0.481 101 D N 0.925 121.130 120.400 -0.325 0.000 2.586 101 D HA 0.234 4.875 4.640 0.000 0.000 0.234 101 D C 0.448 176.475 176.300 -0.455 0.000 1.132 101 D CA 1.150 54.957 54.000 -0.322 0.000 0.860 101 D CB 0.990 41.658 40.800 -0.219 0.000 1.159 101 D HN 0.508 nan 8.370 nan 0.000 0.490 102 G N 1.401 109.835 108.800 -0.610 0.000 2.556 102 G HA2 0.330 4.290 3.960 0.000 0.000 0.294 102 G HA3 0.330 4.290 3.960 0.000 0.000 0.294 102 G C -1.681 172.772 174.900 -0.746 0.000 1.516 102 G CA -0.839 43.861 45.100 -0.666 0.000 0.824 102 G HN 0.422 nan 8.290 nan 0.000 0.535 103 H N 0.945 119.924 119.070 -0.150 0.000 2.495 103 H HA 0.479 5.035 4.556 0.000 0.000 0.348 103 H C -0.496 174.471 175.328 -0.602 0.000 1.113 103 H CA -0.759 55.112 56.048 -0.295 0.000 1.195 103 H CB 2.057 31.686 29.762 -0.221 0.000 1.521 103 H HN 0.361 nan 8.280 nan 0.000 0.509 104 N N 2.246 120.608 118.700 -0.563 0.000 2.430 104 N HA 0.265 5.006 4.740 0.000 0.000 0.292 104 N C -0.930 174.088 175.510 -0.821 0.000 1.051 104 N CA -0.263 52.444 53.050 -0.573 0.000 0.917 104 N CB 1.350 39.634 38.487 -0.338 0.000 1.164 104 N HN 0.446 nan 8.380 nan 0.000 0.484 105 Y N 0.075 120.100 120.300 -0.459 0.000 2.524 105 Y HA 0.474 5.024 4.550 0.000 0.000 0.347 105 Y C -0.449 175.217 175.900 -0.389 0.000 1.005 105 Y CA -1.102 56.708 58.100 -0.482 0.000 1.025 105 Y CB 1.737 39.715 38.460 -0.803 0.000 1.275 105 Y HN 0.314 nan 8.280 nan 0.000 0.460 106 L N 4.424 125.670 121.223 0.038 0.000 2.333 106 L HA 0.927 5.267 4.340 0.000 0.000 0.280 106 L C -1.107 175.917 176.870 0.257 0.000 1.004 106 L CA -0.701 54.223 54.840 0.140 0.000 0.820 106 L CB 1.295 43.387 42.059 0.056 0.000 1.247 106 L HN 0.481 nan 8.230 nan 0.000 0.416 107 V N 1.181 121.309 119.914 0.357 0.000 2.914 107 V HA 0.966 5.086 4.120 0.000 0.000 0.314 107 V C -0.248 176.099 176.094 0.421 0.000 1.084 107 V CA 0.144 62.663 62.300 0.364 0.000 0.963 107 V CB 1.612 33.669 31.823 0.389 0.000 1.025 107 V HN 0.965 nan 8.190 nan 0.000 0.432 108 T N -0.499 114.225 114.554 0.284 0.000 2.906 108 T HA 0.802 5.152 4.350 0.000 0.000 0.295 108 T C -0.802 173.742 174.700 -0.261 0.000 1.075 108 T CA -0.608 61.484 62.100 -0.012 0.000 1.005 108 T CB 1.557 70.159 68.868 -0.444 0.000 1.136 108 T HN 1.514 nan 8.240 nan 0.000 0.498 109 C N 1.080 119.963 119.300 -0.694 0.000 3.171 109 C HA 0.507 4.968 4.460 0.000 0.000 0.336 109 C C 0.548 175.231 174.990 -0.511 0.000 1.198 109 C CA -0.484 58.034 59.018 -0.833 0.000 1.319 109 C CB 1.250 27.956 27.740 -1.724 0.000 1.682 109 C HN 1.059 nan 8.230 nan 0.000 0.497 110 D N 1.148 121.338 120.400 -0.349 0.000 2.183 110 D HA 0.038 4.678 4.640 0.000 0.000 0.203 110 D C 1.078 177.365 176.300 -0.021 0.000 0.969 110 D CA 1.740 55.624 54.000 -0.192 0.000 0.842 110 D CB 0.193 40.898 40.800 -0.158 0.000 0.957 110 D HN 0.844 nan 8.370 nan 0.000 0.484 111 T N -2.338 112.153 114.554 -0.105 0.000 2.907 111 T HA 0.351 4.701 4.350 0.000 0.000 0.292 111 T C 1.012 175.523 174.700 -0.315 0.000 1.043 111 T CA -0.814 61.272 62.100 -0.022 0.000 1.003 111 T CB 2.029 70.860 68.868 -0.062 0.000 1.084 111 T HN -0.223 nan 8.240 nan 0.000 0.483 112 I N 1.261 121.567 120.570 -0.440 0.000 2.423 112 I HA -0.073 4.097 4.170 0.000 0.000 0.254 112 I C 1.021 177.028 176.117 -0.184 0.000 1.151 112 I CA 1.624 62.509 61.300 -0.691 0.000 1.421 112 I CB -0.168 37.264 38.000 -0.948 0.000 1.079 112 I HN 0.856 nan 8.210 nan 0.000 0.431 113 D N -1.336 118.982 120.400 -0.137 0.000 2.538 113 D HA 0.235 4.875 4.640 0.000 0.000 0.231 113 D C 0.992 177.275 176.300 -0.027 0.000 1.229 113 D CA 0.050 54.042 54.000 -0.013 0.000 0.828 113 D CB -0.837 39.940 40.800 -0.039 0.000 1.035 113 D HN 0.210 nan 8.370 nan 0.000 0.495 114 G N 0.279 108.986 108.800 -0.156 0.000 2.479 114 G HA2 0.424 4.385 3.960 0.000 0.000 0.275 114 G HA3 0.424 4.385 3.960 0.000 0.000 0.275 114 G C -0.236 174.617 174.900 -0.078 0.000 1.421 114 G CA -0.315 44.679 45.100 -0.177 0.000 1.059 114 G HN 0.369 nan 8.290 nan 0.000 0.535 115 A N -0.887 121.880 122.820 -0.089 0.000 2.341 115 A HA 0.540 4.860 4.320 0.000 0.000 0.326 115 A C -0.793 176.792 177.584 0.002 0.000 1.402 115 A CA -0.620 51.427 52.037 0.017 0.000 0.957 115 A CB -0.081 18.921 19.000 0.004 0.000 1.151 115 A HN 0.441 nan 8.150 nan 0.000 0.533 116 W N 2.230 123.492 121.300 -0.063 0.000 2.137 116 W HA 0.343 5.004 4.660 0.000 0.000 0.344 116 W C 1.304 177.799 176.519 -0.040 0.000 1.286 116 W CA 0.708 58.019 57.345 -0.058 0.000 1.240 116 W CB 0.602 30.023 29.460 -0.066 0.000 1.141 116 W HN 0.824 nan 8.180 nan 0.000 0.579 117 S N 0.988 116.796 115.700 0.180 0.000 2.592 117 S HA 0.011 4.481 4.470 0.000 0.000 0.256 117 S C -0.101 174.581 174.600 0.137 0.000 1.369 117 S CA -0.653 57.614 58.200 0.111 0.000 0.984 117 S CB 0.466 63.709 63.200 0.073 0.000 0.919 117 S HN 0.404 nan 8.310 nan 0.000 0.576 118 D N 2.259 122.716 120.400 0.096 0.000 2.339 118 D HA 0.381 5.021 4.640 0.000 0.000 0.245 118 D C -2.129 174.244 176.300 0.121 0.000 1.115 118 D CA -1.217 52.838 54.000 0.090 0.000 0.917 118 D CB 0.409 41.246 40.800 0.061 0.000 1.192 118 D HN 0.400 nan 8.370 nan 0.000 0.428 119 P HA 0.125 nan 4.420 nan 0.000 0.268 119 P C -0.195 177.222 177.300 0.195 0.000 1.204 119 P CA 0.057 63.257 63.100 0.167 0.000 0.768 119 P CB 0.639 32.361 31.700 0.035 0.000 0.842 120 I N 3.453 124.157 120.570 0.223 0.000 2.331 120 I HA 0.139 4.309 4.170 0.000 0.000 0.292 120 I C 0.541 176.822 176.117 0.274 0.000 0.998 120 I CA -0.983 60.461 61.300 0.240 0.000 1.267 120 I CB 0.451 38.591 38.000 0.233 0.000 1.386 120 I HN 0.340 nan 8.210 nan 0.000 0.476 121 Y N 6.915 127.326 120.300 0.185 0.000 2.442 121 Y HA 0.176 4.726 4.550 0.000 0.000 0.330 121 Y C 0.095 176.016 175.900 0.035 0.000 1.129 121 Y CA 0.201 58.365 58.100 0.107 0.000 1.365 121 Y CB 0.729 39.238 38.460 0.082 0.000 1.233 121 Y HN 0.499 nan 8.280 nan 0.000 0.529 122 L N 3.806 124.490 121.223 -0.898 0.000 2.546 122 L HA 0.236 4.576 4.340 0.000 0.000 0.182 122 L C 0.013 176.385 176.870 -0.829 0.000 1.167 122 L CA 0.208 54.663 54.840 -0.643 0.000 0.845 122 L CB -0.161 41.661 42.059 -0.395 0.000 1.134 122 L HN 0.747 nan 8.230 nan 0.000 0.500 123 N N -3.112 115.064 118.700 -0.872 0.000 3.364 123 N HA 0.171 4.911 4.740 0.000 0.000 0.294 123 N C -0.647 174.713 175.510 -0.250 0.000 1.562 123 N CA -0.448 52.329 53.050 -0.455 0.000 0.862 123 N CB 1.432 39.816 38.487 -0.172 0.000 1.691 123 N HN -0.196 nan 8.380 nan 0.000 0.572 124 S N -1.204 114.478 115.700 -0.030 0.000 2.993 124 S HA 0.117 4.587 4.470 0.000 0.000 0.257 124 S C 0.584 175.126 174.600 -0.096 0.000 0.997 124 S CA 0.116 58.313 58.200 -0.004 0.000 1.191 124 S CB -0.366 62.943 63.200 0.183 0.000 1.143 124 S HN 0.681 nan 8.310 nan 0.000 0.655 125 S N 1.171 116.807 115.700 -0.106 0.000 2.561 125 S HA 0.465 4.936 4.470 0.000 0.000 0.225 125 S C 0.983 175.438 174.600 -0.241 0.000 0.977 125 S CA 0.414 58.496 58.200 -0.197 0.000 0.926 125 S CB 0.258 63.385 63.200 -0.121 0.000 0.769 125 S HN 0.678 nan 8.310 nan 0.000 0.533 126 G N 0.425 109.118 108.800 -0.180 0.000 2.328 126 G HA2 0.395 4.355 3.960 0.000 0.000 0.299 126 G HA3 0.395 4.355 3.960 0.000 0.000 0.299 126 G C -0.684 174.100 174.900 -0.192 0.000 1.435 126 G CA -0.756 44.197 45.100 -0.246 0.000 0.865 126 G HN 0.339 nan 8.290 nan 0.000 0.601 127 F N -0.423 119.497 119.950 -0.051 0.000 2.251 127 F HA 0.700 5.227 4.527 0.000 0.000 0.302 127 F C 1.444 177.311 175.800 0.111 0.000 1.143 127 F CA -0.350 57.652 58.000 0.003 0.000 1.104 127 F CB 0.189 39.214 39.000 0.042 0.000 1.516 127 F HN 1.858 nan 8.300 nan 0.000 0.511 128 G N 0.004 109.067 108.800 0.439 0.000 2.272 128 G HA2 -0.192 3.768 3.960 0.000 0.000 0.280 128 G HA3 -0.192 3.768 3.960 0.000 0.000 0.280 128 G C -2.508 172.458 174.900 0.110 0.000 1.067 128 G CA -0.328 44.952 45.100 0.301 0.000 0.902 128 G HN 0.675 nan 8.290 nan 0.000 0.500 129 P HA 0.463 nan 4.420 nan 0.000 0.275 129 P C -0.161 177.153 177.300 0.024 0.000 1.227 129 P CA 0.210 63.321 63.100 0.020 0.000 0.781 129 P CB 1.955 33.656 31.700 0.002 0.000 0.906 130 S N 2.201 117.847 115.700 -0.089 0.000 2.540 130 S HA 0.521 4.991 4.470 0.000 0.000 0.275 130 S C -1.430 173.060 174.600 -0.184 0.000 1.123 130 S CA -0.703 57.327 58.200 -0.284 0.000 0.907 130 S CB 0.696 63.625 63.200 -0.452 0.000 1.081 130 S HN 0.322 nan 8.310 nan 0.000 0.476 131 L N 4.985 126.169 121.223 -0.065 0.000 2.287 131 L HA 0.690 5.030 4.340 0.000 0.000 0.287 131 L C -1.197 175.628 176.870 -0.075 0.000 1.022 131 L CA -0.433 54.377 54.840 -0.050 0.000 0.814 131 L CB 0.880 42.898 42.059 -0.069 0.000 1.217 131 L HN 0.674 nan 8.230 nan 0.000 0.420 132 F N 5.160 124.958 119.950 -0.253 0.000 2.415 132 F HA 0.467 4.994 4.527 0.000 0.000 0.348 132 F C -0.390 175.276 175.800 -0.223 0.000 1.119 132 F CA -0.502 57.400 58.000 -0.163 0.000 1.069 132 F CB 0.504 39.486 39.000 -0.030 0.000 1.124 132 F HN 0.515 nan 8.300 nan 0.000 0.472 133 H N 4.518 123.344 119.070 -0.406 0.000 2.623 133 H HA 0.208 4.764 4.556 0.000 0.000 0.299 133 H C -0.685 174.233 175.328 -0.683 0.000 1.052 133 H CA -0.863 54.898 56.048 -0.478 0.000 1.231 133 H CB 1.135 30.727 29.762 -0.283 0.000 1.389 133 H HN 0.521 nan 8.280 nan 0.000 0.469 134 D N 1.850 121.905 120.400 -0.575 0.000 2.354 134 D HA -0.015 4.625 4.640 0.000 0.000 0.247 134 D C 1.251 177.528 176.300 -0.039 0.000 1.138 134 D CA -0.361 53.426 54.000 -0.355 0.000 0.958 134 D CB 1.247 42.023 40.800 -0.040 0.000 1.144 134 D HN 0.477 nan 8.370 nan 0.000 0.458 135 E N 0.793 121.036 120.200 0.071 0.000 2.110 135 E HA -0.188 4.162 4.350 0.000 0.000 0.193 135 E C 1.036 177.675 176.600 0.064 0.000 0.988 135 E CA 0.935 57.380 56.400 0.076 0.000 0.804 135 E CB -0.275 29.482 29.700 0.094 0.000 0.745 135 E HN 0.577 nan 8.360 nan 0.000 0.458 136 D N -0.109 120.343 120.400 0.086 0.000 2.390 136 D HA -0.021 4.619 4.640 0.000 0.000 0.235 136 D C 1.357 177.687 176.300 0.049 0.000 1.040 136 D CA 0.955 55.000 54.000 0.076 0.000 0.923 136 D CB -0.139 40.724 40.800 0.105 0.000 0.886 136 D HN 0.282 nan 8.370 nan 0.000 0.532 137 G N 0.010 108.828 108.800 0.029 0.000 2.299 137 G HA2 -0.344 3.616 3.960 0.000 0.000 0.237 137 G HA3 -0.344 3.616 3.960 0.000 0.000 0.237 137 G C 0.507 175.390 174.900 -0.027 0.000 1.027 137 G CA -0.002 45.099 45.100 0.003 0.000 0.619 137 G HN 0.507 nan 8.290 nan 0.000 0.513 138 R N 1.107 121.595 120.500 -0.019 0.000 2.734 138 R HA 0.487 4.827 4.340 0.000 0.000 0.266 138 R C 0.217 176.386 176.300 -0.218 0.000 1.044 138 R CA 0.430 56.459 56.100 -0.118 0.000 1.128 138 R CB 0.359 30.620 30.300 -0.065 0.000 1.010 138 R HN 0.257 nan 8.270 nan 0.000 0.461 139 K N 2.434 122.586 120.400 -0.414 0.000 2.318 139 K HA 0.388 4.708 4.320 0.000 0.000 0.249 139 K C -1.225 175.085 176.600 -0.483 0.000 0.942 139 K CA -0.753 55.330 56.287 -0.339 0.000 0.808 139 K CB 2.163 34.534 32.500 -0.214 0.000 1.189 139 K HN 0.448 nan 8.250 nan 0.000 0.428 140 Y N 0.597 120.875 120.300 -0.038 0.000 2.433 140 Y HA 0.302 4.852 4.550 0.000 0.000 0.337 140 Y C -0.697 175.206 175.900 0.005 0.000 1.026 140 Y CA -1.073 57.052 58.100 0.042 0.000 1.037 140 Y CB 1.828 40.352 38.460 0.106 0.000 1.245 140 Y HN 0.395 nan 8.280 nan 0.000 0.443 141 L N 5.172 126.470 121.223 0.125 0.000 2.276 141 L HA 0.737 5.077 4.340 0.000 0.000 0.286 141 L C -0.633 176.244 176.870 0.011 0.000 1.061 141 L CA -0.588 54.265 54.840 0.023 0.000 0.807 141 L CB 0.824 42.872 42.059 -0.018 0.000 1.177 141 L HN 0.461 nan 8.230 nan 0.000 0.429 142 V N 3.526 123.412 119.914 -0.046 0.000 2.581 142 V HA 0.770 4.891 4.120 0.000 0.000 0.303 142 V C -0.578 175.468 176.094 -0.080 0.000 1.041 142 V CA -0.658 61.593 62.300 -0.082 0.000 0.907 142 V CB 1.547 33.278 31.823 -0.154 0.000 0.994 142 V HN 0.959 nan 8.190 nan 0.000 0.442 143 N N 2.729 121.397 118.700 -0.054 0.000 2.927 143 N HA 0.456 5.197 4.740 0.000 0.000 0.248 143 N C -0.876 174.616 175.510 -0.030 0.000 1.443 143 N CA -0.891 52.129 53.050 -0.050 0.000 0.870 143 N CB 2.249 40.708 38.487 -0.047 0.000 1.444 143 N HN 0.861 nan 8.380 nan 0.000 0.519 144 M N -0.385 119.164 119.600 -0.086 0.000 2.241 144 M HA 0.416 4.896 4.480 0.000 0.000 0.335 144 M C -1.210 175.059 176.300 -0.053 0.000 1.122 144 M CA 0.019 55.266 55.300 -0.088 0.000 1.164 144 M CB 0.193 32.643 32.600 -0.251 0.000 1.459 144 M HN 0.524 nan 8.290 nan 0.000 0.461 145 Y N 3.495 123.742 120.300 -0.088 0.000 2.334 145 Y HA 0.371 4.922 4.550 0.000 0.000 0.336 145 Y C -1.353 174.512 175.900 -0.058 0.000 0.960 145 Y CA -0.594 57.485 58.100 -0.034 0.000 1.164 145 Y CB 0.820 39.317 38.460 0.062 0.000 1.155 145 Y HN 0.820 nan 8.280 nan 0.000 0.478 146 W N 7.611 128.618 121.300 -0.489 0.000 2.316 146 W HA 0.219 4.879 4.660 0.000 0.000 0.311 146 W C -1.007 175.309 176.519 -0.339 0.000 1.217 146 W CA -0.217 56.884 57.345 -0.407 0.000 1.199 146 W CB 1.218 30.472 29.460 -0.344 0.000 1.202 146 W HN 0.551 nan 8.180 nan 0.000 0.528 147 D N 4.945 124.834 120.400 -0.852 0.000 2.453 147 D HA 0.010 4.650 4.640 0.000 0.000 0.238 147 D C 1.369 177.163 176.300 -0.843 0.000 1.088 147 D CA -0.210 53.394 54.000 -0.659 0.000 0.854 147 D CB 0.558 41.112 40.800 -0.410 0.000 1.076 147 D HN 0.540 nan 8.370 nan 0.000 0.533 148 H N 2.567 121.342 119.070 -0.492 0.000 2.546 148 H HA 0.109 4.665 4.556 0.000 0.000 0.277 148 H C -0.095 174.964 175.328 -0.448 0.000 1.004 148 H CA 0.040 55.800 56.048 -0.481 0.000 1.231 148 H CB 0.151 29.525 29.762 -0.646 0.000 1.382 148 H HN 0.130 nan 8.280 nan 0.000 0.580 149 R N 0.713 120.663 120.500 -0.916 0.000 2.643 149 R HA 0.093 4.433 4.340 0.000 0.000 0.270 149 R C 1.406 177.577 176.300 -0.215 0.000 1.061 149 R CA 0.053 55.798 56.100 -0.591 0.000 1.107 149 R CB 1.024 30.893 30.300 -0.717 0.000 0.999 149 R HN -0.066 nan 8.270 nan 0.000 0.460 150 V N 1.688 121.551 119.914 -0.086 0.000 2.343 150 V HA -0.233 3.887 4.120 0.000 0.000 0.247 150 V C 1.020 177.146 176.094 0.055 0.000 1.051 150 V CA 2.288 64.582 62.300 -0.011 0.000 1.036 150 V CB -0.515 31.315 31.823 0.013 0.000 0.654 150 V HN 0.881 nan 8.190 nan 0.000 0.451 151 D N -2.017 118.478 120.400 0.158 0.000 2.336 151 D HA 0.010 4.650 4.640 0.000 0.000 0.229 151 D C 0.371 176.655 176.300 -0.026 0.000 1.061 151 D CA 0.142 54.193 54.000 0.085 0.000 0.875 151 D CB -0.458 40.355 40.800 0.023 0.000 0.904 151 D HN 0.531 nan 8.370 nan 0.000 0.525 152 H N -1.309 117.716 119.070 -0.075 0.000 2.679 152 H HA 0.376 4.932 4.556 0.000 0.000 0.367 152 H C -0.861 174.440 175.328 -0.045 0.000 1.162 152 H CA -1.045 54.968 56.048 -0.059 0.000 1.181 152 H CB 0.901 30.605 29.762 -0.096 0.000 1.693 152 H HN -0.035 nan 8.280 nan 0.000 0.538 153 H N 3.347 122.428 119.070 0.019 0.000 2.803 153 H HA 0.110 4.666 4.556 0.000 0.000 0.330 153 H C -1.699 173.592 175.328 -0.061 0.000 1.057 153 H CA -1.906 54.139 56.048 -0.005 0.000 1.458 153 H CB 0.984 30.746 29.762 0.000 0.000 1.470 153 H HN 0.438 nan 8.280 nan 0.000 0.560 154 P HA -0.087 nan 4.420 nan 0.000 0.223 154 P C -0.386 176.340 177.300 -0.957 0.000 1.151 154 P CA 1.031 63.503 63.100 -1.047 0.000 0.787 154 P CB 0.133 30.919 31.700 -1.523 0.000 0.788 155 F N -1.052 118.453 119.950 -0.742 0.000 2.515 155 F HA 0.169 4.696 4.527 0.000 0.000 0.353 155 F C 1.483 177.276 175.800 -0.012 0.000 1.213 155 F CA -0.706 57.141 58.000 -0.255 0.000 1.194 155 F CB -0.250 38.700 39.000 -0.083 0.000 1.488 155 F HN -0.136 nan 8.300 nan 0.000 0.619 156 Y N 2.008 122.288 120.300 -0.034 0.000 2.561 156 Y HA 0.288 4.839 4.550 0.000 0.000 0.291 156 Y C 1.275 177.192 175.900 0.029 0.000 1.141 156 Y CA 0.797 58.912 58.100 0.026 0.000 1.303 156 Y CB -0.132 38.387 38.460 0.097 0.000 1.015 156 Y HN 0.579 nan 8.280 nan 0.000 0.547 157 G N -0.224 108.652 108.800 0.127 0.000 2.293 157 G HA2 0.016 3.977 3.960 0.000 0.000 0.282 157 G HA3 0.016 3.977 3.960 0.000 0.000 0.282 157 G C -1.803 173.159 174.900 0.104 0.000 1.299 157 G CA -0.557 44.562 45.100 0.032 0.000 1.018 157 G HN -0.080 nan 8.290 nan 0.000 0.478 158 I N 0.935 121.554 120.570 0.082 0.000 2.362 158 I HA 0.600 4.770 4.170 0.000 0.000 0.289 158 I C 0.473 176.607 176.117 0.028 0.000 0.994 158 I CA -0.975 60.362 61.300 0.062 0.000 1.158 158 I CB 0.747 38.770 38.000 0.040 0.000 1.315 158 I HN 0.550 nan 8.210 nan 0.000 0.451 159 V N 8.164 128.101 119.914 0.038 0.000 2.612 159 V HA 0.628 4.749 4.120 0.000 0.000 0.301 159 V C -0.788 175.299 176.094 -0.011 0.000 1.046 159 V CA -0.564 61.746 62.300 0.018 0.000 0.946 159 V CB 2.412 34.285 31.823 0.084 0.000 1.003 159 V HN 0.647 nan 8.190 nan 0.000 0.459 160 L N 5.285 126.491 121.223 -0.029 0.000 2.401 160 L HA 0.715 5.055 4.340 0.000 0.000 0.266 160 L C -0.901 175.990 176.870 0.035 0.000 0.991 160 L CA -0.102 54.704 54.840 -0.056 0.000 0.818 160 L CB 1.876 43.794 42.059 -0.234 0.000 1.321 160 L HN 0.835 nan 8.230 nan 0.000 0.413 161 Q N 2.680 122.543 119.800 0.104 0.000 2.386 161 Q HA 0.240 4.580 4.340 0.000 0.000 0.274 161 Q C -1.667 174.463 176.000 0.216 0.000 1.011 161 Q CA -0.676 55.230 55.803 0.171 0.000 0.867 161 Q CB 2.133 30.945 28.738 0.124 0.000 1.409 161 Q HN 0.728 nan 8.270 nan 0.000 0.395 162 E N 2.348 122.677 120.200 0.214 0.000 2.344 162 E HA 0.048 4.398 4.350 0.000 0.000 0.270 162 E C -1.601 174.996 176.600 -0.004 0.000 1.021 162 E CA -0.150 56.239 56.400 -0.019 0.000 0.887 162 E CB 0.624 30.257 29.700 -0.111 0.000 0.997 162 E HN 0.471 nan 8.360 nan 0.000 0.429 163 Y N 3.584 123.765 120.300 -0.198 0.000 2.335 163 Y HA 0.215 4.765 4.550 0.000 0.000 0.339 163 Y C -0.498 175.327 175.900 -0.123 0.000 0.987 163 Y CA -0.714 57.315 58.100 -0.118 0.000 1.140 163 Y CB 1.459 39.861 38.460 -0.096 0.000 1.173 163 Y HN 0.374 nan 8.280 nan 0.000 0.486 164 S N 5.833 121.139 115.700 -0.656 0.000 2.409 164 S HA 0.217 4.687 4.470 0.000 0.000 0.308 164 S C 0.786 174.936 174.600 -0.750 0.000 1.080 164 S CA -0.573 57.308 58.200 -0.531 0.000 1.081 164 S CB 0.127 63.153 63.200 -0.289 0.000 1.009 164 S HN 0.736 nan 8.310 nan 0.000 0.502 165 V N 5.149 124.761 119.914 -0.504 0.000 2.380 165 V HA -0.168 3.952 4.120 0.000 0.000 0.251 165 V C 2.519 178.555 176.094 -0.096 0.000 1.063 165 V CA 2.357 64.548 62.300 -0.181 0.000 1.055 165 V CB -0.737 31.167 31.823 0.135 0.000 0.657 165 V HN 0.916 nan 8.190 nan 0.000 0.455 166 E N -0.113 120.024 120.200 -0.104 0.000 2.031 166 E HA -0.249 4.101 4.350 0.000 0.000 0.193 166 E C 2.263 178.827 176.600 -0.059 0.000 0.994 166 E CA 1.445 57.811 56.400 -0.057 0.000 0.800 166 E CB -0.062 29.608 29.700 -0.051 0.000 0.752 166 E HN 0.702 nan 8.360 nan 0.000 0.447 167 Q N -0.034 119.706 119.800 -0.099 0.000 2.435 167 Q HA -0.016 4.324 4.340 0.000 0.000 0.207 167 Q C -0.059 175.913 176.000 -0.047 0.000 0.956 167 Q CA 0.339 56.103 55.803 -0.065 0.000 0.917 167 Q CB 0.144 28.842 28.738 -0.066 0.000 0.997 167 Q HN 0.137 nan 8.270 nan 0.000 0.497 168 K N 1.349 121.689 120.400 -0.100 0.000 3.150 168 K HA -0.214 4.106 4.320 0.000 0.000 0.267 168 K C -0.815 175.860 176.600 0.126 0.000 1.028 168 K CA 0.935 57.241 56.287 0.031 0.000 0.753 168 K CB -1.487 31.089 32.500 0.127 0.000 1.288 168 K HN 0.398 nan 8.250 nan 0.000 0.473 169 K N -1.155 119.236 120.400 -0.015 0.000 2.597 169 K HA 0.416 4.737 4.320 0.000 0.000 0.282 169 K C -0.698 175.946 176.600 0.074 0.000 0.975 169 K CA -1.221 55.138 56.287 0.120 0.000 0.867 169 K CB 1.080 33.627 32.500 0.077 0.000 1.465 169 K HN -0.029 nan 8.250 nan 0.000 0.417 170 L N 2.136 123.469 121.223 0.183 0.000 2.485 170 L HA 0.265 4.605 4.340 0.000 0.000 0.275 170 L C 0.470 177.373 176.870 0.056 0.000 1.207 170 L CA -0.419 54.501 54.840 0.132 0.000 0.855 170 L CB 0.709 42.834 42.059 0.109 0.000 1.114 170 L HN 0.601 nan 8.230 nan 0.000 0.485 171 V N -0.048 119.886 119.914 0.033 0.000 3.164 171 V HA 1.009 5.129 4.120 0.000 0.000 0.313 171 V C 0.520 176.644 176.094 0.050 0.000 1.188 171 V CA 0.069 62.383 62.300 0.023 0.000 1.058 171 V CB 1.011 32.825 31.823 -0.015 0.000 1.110 171 V HN 0.990 nan 8.190 nan 0.000 0.453 172 G N 0.471 109.298 108.800 0.045 0.000 2.582 172 G HA2 -0.199 3.761 3.960 0.000 0.000 0.288 172 G HA3 -0.199 3.761 3.960 0.000 0.000 0.288 172 G C -0.155 174.788 174.900 0.071 0.000 1.247 172 G CA 0.787 45.922 45.100 0.060 0.000 0.972 172 G HN 1.306 nan 8.290 nan 0.000 0.557 173 E N 0.952 121.204 120.200 0.087 0.000 2.248 173 E HA 0.514 4.864 4.350 0.000 0.000 0.267 173 E C -2.544 174.125 176.600 0.114 0.000 0.877 173 E CA -1.812 54.638 56.400 0.084 0.000 0.759 173 E CB 2.264 32.000 29.700 0.059 0.000 1.182 173 E HN 0.242 nan 8.360 nan 0.000 0.418 174 P HA 0.205 nan 4.420 nan 0.000 0.276 174 P C -0.950 176.401 177.300 0.085 0.000 1.230 174 P CA -0.240 62.920 63.100 0.101 0.000 0.776 174 P CB 0.615 32.369 31.700 0.089 0.000 0.888 175 K N 2.686 123.157 120.400 0.119 0.000 2.371 175 K HA 0.456 4.776 4.320 0.000 0.000 0.251 175 K C -0.218 176.412 176.600 0.051 0.000 0.934 175 K CA -0.812 55.545 56.287 0.116 0.000 0.798 175 K CB 2.006 34.677 32.500 0.285 0.000 1.204 175 K HN 0.354 nan 8.250 nan 0.000 0.427 176 I N 4.671 125.244 120.570 0.005 0.000 2.471 176 I HA 0.094 4.264 4.170 0.000 0.000 0.286 176 I C 1.619 177.769 176.117 0.055 0.000 1.079 176 I CA 0.200 61.496 61.300 -0.007 0.000 1.398 176 I CB 0.153 38.125 38.000 -0.046 0.000 1.403 176 I HN 0.649 nan 8.210 nan 0.000 0.530 177 I N 2.985 123.591 120.570 0.060 0.000 4.154 177 I HA 0.387 4.557 4.170 0.000 0.000 0.334 177 I C -0.402 175.858 176.117 0.238 0.000 1.371 177 I CA 0.100 61.481 61.300 0.134 0.000 1.110 177 I CB 0.757 38.788 38.000 0.051 0.000 1.085 177 I HN 0.311 nan 8.210 nan 0.000 0.398 178 F N 1.755 121.670 119.950 -0.058 0.000 2.651 178 F HA 0.396 4.923 4.527 0.000 0.000 0.327 178 F C -0.139 175.612 175.800 -0.081 0.000 1.133 178 F CA -0.918 57.035 58.000 -0.078 0.000 1.076 178 F CB 1.444 40.327 39.000 -0.195 0.000 1.315 178 F HN -0.247 nan 8.300 nan 0.000 0.499 179 K N 3.160 123.176 120.400 -0.640 0.000 2.334 179 K HA 0.530 4.850 4.320 0.000 0.000 0.195 179 K C 0.799 176.978 176.600 -0.703 0.000 1.045 179 K CA 0.724 56.687 56.287 -0.542 0.000 1.004 179 K CB 0.214 32.478 32.500 -0.393 0.000 0.837 179 K HN 1.004 nan 8.250 nan 0.000 0.510 180 G N 1.117 109.055 108.800 -1.436 0.000 2.498 180 G HA2 -0.207 3.753 3.960 0.000 0.000 0.651 180 G HA3 -0.207 3.753 3.960 0.000 0.000 0.651 180 G C -0.208 174.379 174.900 -0.522 0.000 1.284 180 G CA -0.374 44.172 45.100 -0.923 0.000 0.950 180 G HN 0.180 nan 8.290 nan 0.000 0.511 181 T N -2.940 111.489 114.554 -0.208 0.000 2.893 181 T HA 0.581 4.931 4.350 0.000 0.000 0.279 181 T C 1.290 175.895 174.700 -0.159 0.000 0.991 181 T CA 0.782 62.802 62.100 -0.133 0.000 0.950 181 T CB 1.507 70.345 68.868 -0.049 0.000 1.223 181 T HN 1.087 nan 8.240 nan 0.000 0.585 182 D N -0.101 120.210 120.400 -0.147 0.000 2.384 182 D HA -0.067 4.574 4.640 0.000 0.000 0.222 182 D C 1.803 177.987 176.300 -0.195 0.000 0.976 182 D CA 0.527 54.424 54.000 -0.171 0.000 0.915 182 D CB -0.603 40.107 40.800 -0.150 0.000 0.896 182 D HN 0.477 nan 8.370 nan 0.000 0.523 183 L N -0.651 120.467 121.223 -0.175 0.000 2.093 183 L HA -0.085 4.255 4.340 0.000 0.000 0.208 183 L C 1.138 177.891 176.870 -0.196 0.000 1.085 183 L CA 0.580 55.309 54.840 -0.184 0.000 0.755 183 L CB -0.155 41.820 42.059 -0.141 0.000 0.904 183 L HN -0.008 nan 8.230 nan 0.000 0.435 184 R N -1.289 119.102 120.500 -0.181 0.000 3.797 184 R HA -0.260 4.080 4.340 0.000 0.000 0.502 184 R C 0.820 177.053 176.300 -0.112 0.000 0.241 184 R CA 1.162 57.157 56.100 -0.175 0.000 1.568 184 R CB -1.382 28.646 30.300 -0.453 0.000 1.016 184 R HN 0.323 nan 8.270 nan 0.000 0.558 185 I N -1.042 119.512 120.570 -0.027 0.000 6.395 185 I HA -0.272 3.898 4.170 0.000 0.000 0.126 185 I C 0.145 176.094 176.117 -0.280 0.000 1.812 185 I CA 1.285 62.210 61.300 -0.625 0.000 2.112 185 I CB -1.997 35.647 38.000 -0.593 0.000 3.457 185 I HN 0.500 nan 8.210 nan 0.000 0.192 186 T N 2.873 117.459 114.554 0.053 0.000 2.829 186 T HA 0.333 4.684 4.350 0.000 0.000 0.293 186 T C 0.521 175.415 174.700 0.322 0.000 0.970 186 T CA 0.360 62.562 62.100 0.169 0.000 1.168 186 T CB 0.693 69.640 68.868 0.131 0.000 0.911 186 T HN 0.731 nan 8.240 nan 0.000 0.535 187 E N 1.422 121.765 120.200 0.239 0.000 2.310 187 E HA 0.563 4.913 4.350 0.000 0.000 0.243 187 E C 0.315 176.947 176.600 0.054 0.000 1.027 187 E CA -1.283 55.263 56.400 0.244 0.000 0.887 187 E CB 0.155 30.163 29.700 0.513 0.000 1.828 187 E HN 0.549 nan 8.360 nan 0.000 0.456 188 G N 1.876 110.692 108.800 0.027 0.000 2.412 188 G HA2 -0.184 3.777 3.960 0.000 0.000 0.297 188 G HA3 -0.184 3.777 3.960 0.000 0.000 0.297 188 G C -2.245 172.396 174.900 -0.431 0.000 0.965 188 G CA 0.313 45.241 45.100 -0.288 0.000 1.134 188 G HN 0.373 nan 8.290 nan 0.000 0.511 189 P HA 0.256 nan 4.420 nan 0.000 0.276 189 P C -0.300 176.655 177.300 -0.574 0.000 1.235 189 P CA 0.300 63.188 63.100 -0.353 0.000 0.772 189 P CB 0.900 32.465 31.700 -0.225 0.000 0.871 190 H N 2.246 121.219 119.070 -0.161 0.000 2.679 190 H HA 0.419 4.975 4.556 0.000 0.000 0.360 190 H C -0.230 174.818 175.328 -0.467 0.000 1.105 190 H CA -0.685 55.186 56.048 -0.295 0.000 1.196 190 H CB 1.738 31.398 29.762 -0.169 0.000 1.636 190 H HN 0.309 nan 8.280 nan 0.000 0.531 191 L N 3.060 123.969 121.223 -0.523 0.000 2.325 191 L HA 0.415 4.756 4.340 0.000 0.000 0.278 191 L C -1.056 175.395 176.870 -0.698 0.000 1.023 191 L CA -0.762 53.694 54.840 -0.640 0.000 0.811 191 L CB 0.955 42.398 42.059 -1.027 0.000 1.249 191 L HN 0.503 nan 8.230 nan 0.000 0.431 192 Y N 1.323 121.661 120.300 0.064 0.000 2.433 192 Y HA 0.345 4.895 4.550 0.000 0.000 0.337 192 Y C -0.364 175.769 175.900 0.389 0.000 1.026 192 Y CA -1.139 57.151 58.100 0.317 0.000 1.037 192 Y CB 1.723 40.413 38.460 0.384 0.000 1.245 192 Y HN 0.306 nan 8.280 nan 0.000 0.443 193 K N 3.908 124.673 120.400 0.609 0.000 2.267 193 K HA 0.646 4.966 4.320 0.000 0.000 0.282 193 K C -1.618 175.208 176.600 0.375 0.000 1.078 193 K CA 0.100 56.631 56.287 0.407 0.000 0.903 193 K CB -0.066 32.670 32.500 0.393 0.000 1.111 193 K HN 0.679 nan 8.250 nan 0.000 0.475 194 I N 4.812 125.598 120.570 0.360 0.000 2.569 194 I HA 0.303 4.473 4.170 0.000 0.000 0.290 194 I C 0.057 176.295 176.117 0.202 0.000 1.088 194 I CA -0.872 60.578 61.300 0.250 0.000 1.047 194 I CB 1.850 39.891 38.000 0.069 0.000 1.237 194 I HN 0.743 nan 8.210 nan 0.000 0.421 195 N N 3.596 122.326 118.700 0.049 0.000 1.188 195 N HA -0.229 4.511 4.740 0.000 0.000 0.128 195 N C 0.965 176.423 175.510 -0.087 0.000 0.759 195 N CA 1.786 54.825 53.050 -0.019 0.000 0.905 195 N CB -1.033 37.449 38.487 -0.008 0.000 1.156 195 N HN 0.930 nan 8.380 nan 0.000 0.553 196 G N -0.615 108.040 108.800 -0.241 0.000 3.609 196 G HA2 0.433 4.393 3.960 0.000 0.000 0.280 196 G HA3 0.433 4.393 3.960 0.000 0.000 0.280 196 G C -0.856 173.725 174.900 -0.532 0.000 1.155 196 G CA 0.041 44.917 45.100 -0.374 0.000 0.876 196 G HN 0.338 nan 8.290 nan 0.000 0.535 197 Y N -0.656 119.526 120.300 -0.197 0.000 2.446 197 Y HA 0.513 5.063 4.550 0.000 0.000 0.345 197 Y C -0.651 175.059 175.900 -0.317 0.000 0.984 197 Y CA -1.748 56.163 58.100 -0.314 0.000 1.058 197 Y CB 1.474 39.650 38.460 -0.473 0.000 1.220 197 Y HN 0.104 nan 8.280 nan 0.000 0.455 198 Y N 2.149 122.479 120.300 0.049 0.000 2.365 198 Y HA 0.293 4.843 4.550 0.000 0.000 0.340 198 Y C -0.847 175.058 175.900 0.008 0.000 1.016 198 Y CA -0.705 57.440 58.100 0.074 0.000 1.196 198 Y CB 0.148 38.622 38.460 0.023 0.000 1.167 198 Y HN 0.433 nan 8.280 nan 0.000 0.509 199 Y N 3.819 124.314 120.300 0.325 0.000 2.341 199 Y HA 0.383 4.933 4.550 0.000 0.000 0.340 199 Y C -0.432 175.587 175.900 0.198 0.000 0.997 199 Y CA -0.830 57.433 58.100 0.272 0.000 1.149 199 Y CB 1.143 39.770 38.460 0.279 0.000 1.171 199 Y HN 0.468 nan 8.280 nan 0.000 0.494 200 L N 5.908 127.200 121.223 0.114 0.000 2.276 200 L HA 0.515 4.855 4.340 0.000 0.000 0.286 200 L C -1.405 175.391 176.870 -0.124 0.000 1.024 200 L CA -0.672 54.043 54.840 -0.208 0.000 0.826 200 L CB 0.656 42.220 42.059 -0.825 0.000 1.211 200 L HN 0.606 nan 8.230 nan 0.000 0.422 201 L N 5.473 126.724 121.223 0.047 0.000 2.307 201 L HA 0.790 5.130 4.340 0.000 0.000 0.282 201 L C -0.109 176.749 176.870 -0.020 0.000 1.051 201 L CA 0.428 55.328 54.840 0.099 0.000 0.804 201 L CB 1.520 43.786 42.059 0.345 0.000 1.197 201 L HN 0.844 nan 8.230 nan 0.000 0.431 202 T N 2.124 116.662 114.554 -0.026 0.000 2.896 202 T HA 0.867 5.217 4.350 0.000 0.000 0.297 202 T C -0.481 174.206 174.700 -0.021 0.000 1.108 202 T CA -0.524 61.556 62.100 -0.033 0.000 1.004 202 T CB 1.422 70.327 68.868 0.061 0.000 1.159 202 T HN 0.859 nan 8.240 nan 0.000 0.499 203 A N 1.488 124.276 122.820 -0.053 0.000 2.331 203 A HA 0.708 5.028 4.320 0.000 0.000 0.283 203 A C 0.037 177.676 177.584 0.092 0.000 1.142 203 A CA -0.569 51.478 52.037 0.017 0.000 0.812 203 A CB 0.230 19.268 19.000 0.064 0.000 1.074 203 A HN 0.866 nan 8.150 nan 0.000 0.497 204 E N 0.239 120.495 120.200 0.094 0.000 2.416 204 E HA 0.551 4.901 4.350 0.000 0.000 0.273 204 E C 0.493 177.141 176.600 0.079 0.000 0.935 204 E CA -0.455 55.980 56.400 0.059 0.000 0.784 204 E CB 1.807 31.516 29.700 0.015 0.000 1.301 204 E HN 1.376 nan 8.360 nan 0.000 0.454 205 G N 0.593 109.380 108.800 -0.021 0.000 2.168 205 G HA2 -0.166 3.794 3.960 0.000 0.000 0.263 205 G HA3 -0.166 3.794 3.960 0.000 0.000 0.263 205 G C 0.572 175.460 174.900 -0.019 0.000 0.977 205 G CA 0.484 45.555 45.100 -0.048 0.000 0.659 205 G HN 1.242 nan 8.290 nan 0.000 0.533 206 G N -2.172 106.617 108.800 -0.019 0.000 2.731 206 G HA2 0.202 4.162 3.960 0.000 0.000 0.686 206 G HA3 0.202 4.162 3.960 0.000 0.000 0.686 206 G C 0.450 175.206 174.900 -0.240 0.000 1.395 206 G CA 0.701 45.754 45.100 -0.079 0.000 0.870 206 G HN 1.636 nan 8.290 nan 0.000 0.591 207 T N 1.260 115.592 114.554 -0.370 0.000 3.284 207 T HA 0.151 4.501 4.350 0.000 0.000 0.252 207 T C 1.664 176.156 174.700 -0.347 0.000 1.144 207 T CA 1.671 63.334 62.100 -0.728 0.000 1.021 207 T CB -0.381 68.234 68.868 -0.422 0.000 0.984 207 T HN 0.582 nan 8.240 nan 0.000 0.545 208 R N -0.748 119.634 120.500 -0.196 0.000 2.271 208 R HA 0.289 4.629 4.340 0.000 0.000 0.175 208 R C 1.056 177.241 176.300 -0.193 0.000 1.055 208 R CA -0.419 55.548 56.100 -0.222 0.000 1.336 208 R CB -0.257 29.977 30.300 -0.110 0.000 1.733 208 R HN 0.210 nan 8.270 nan 0.000 0.565 209 Y N 0.793 121.148 120.300 0.092 0.000 2.509 209 Y HA -0.007 4.543 4.550 0.000 0.000 0.293 209 Y C 1.343 177.408 175.900 0.274 0.000 1.133 209 Y CA 1.020 59.217 58.100 0.162 0.000 1.283 209 Y CB -0.437 38.090 38.460 0.111 0.000 1.001 209 Y HN 0.476 nan 8.280 nan 0.000 0.555 210 N N -1.389 117.478 118.700 0.277 0.000 2.383 210 N HA -0.047 4.693 4.740 0.000 0.000 0.192 210 N C 0.128 175.726 175.510 0.147 0.000 1.141 210 N CA -0.112 53.014 53.050 0.127 0.000 0.851 210 N CB -0.114 38.297 38.487 -0.127 0.000 0.976 210 N HN 0.396 nan 8.380 nan 0.000 0.465 211 H N 0.894 120.014 119.070 0.082 0.000 3.016 211 H HA 0.230 4.786 4.556 0.000 0.000 0.345 211 H C -0.261 175.111 175.328 0.072 0.000 1.066 211 H CA -0.140 55.947 56.048 0.066 0.000 1.390 211 H CB 0.531 30.343 29.762 0.083 0.000 1.344 211 H HN 0.207 nan 8.280 nan 0.000 0.605 212 A N 2.454 125.267 122.820 -0.011 0.000 2.610 212 A HA 0.662 4.983 4.320 0.000 0.000 0.291 212 A C -1.636 175.845 177.584 -0.171 0.000 1.086 212 A CA -0.108 51.871 52.037 -0.097 0.000 0.677 212 A CB 1.305 20.287 19.000 -0.029 0.000 1.278 212 A HN 0.803 nan 8.150 nan 0.000 0.414 213 A N 0.376 123.116 122.820 -0.134 0.000 2.343 213 A HA 0.805 5.125 4.320 0.000 0.000 0.316 213 A C -0.285 177.254 177.584 -0.075 0.000 1.104 213 A CA -0.348 51.634 52.037 -0.092 0.000 0.768 213 A CB 1.036 19.989 19.000 -0.078 0.000 1.213 213 A HN 0.903 nan 8.150 nan 0.000 0.456 214 T N 2.242 116.774 114.554 -0.035 0.000 2.856 214 T HA 0.655 5.005 4.350 0.000 0.000 0.283 214 T C -0.742 173.954 174.700 -0.007 0.000 1.008 214 T CA -0.133 61.953 62.100 -0.024 0.000 0.997 214 T CB 1.014 69.907 68.868 0.042 0.000 0.992 214 T HN 0.599 nan 8.240 nan 0.000 0.454 215 I N 1.837 122.413 120.570 0.009 0.000 2.686 215 I HA 0.775 4.945 4.170 0.000 0.000 0.295 215 I C -1.121 175.083 176.117 0.144 0.000 1.114 215 I CA -0.667 60.685 61.300 0.088 0.000 1.038 215 I CB 1.492 39.603 38.000 0.186 0.000 1.238 215 I HN 0.779 nan 8.210 nan 0.000 0.420 216 A N 6.615 129.507 122.820 0.119 0.000 2.479 216 A HA 0.931 5.252 4.320 0.000 0.000 0.296 216 A C -1.266 176.469 177.584 0.252 0.000 1.121 216 A CA -0.735 51.416 52.037 0.191 0.000 0.743 216 A CB 1.851 20.755 19.000 -0.160 0.000 1.323 216 A HN 0.777 nan 8.150 nan 0.000 0.415 217 R N -0.162 120.432 120.500 0.157 0.000 2.771 217 R HA 0.858 5.198 4.340 0.000 0.000 0.274 217 R C -1.138 174.988 176.300 -0.290 0.000 0.987 217 R CA -0.272 55.633 56.100 -0.326 0.000 0.908 217 R CB 1.844 31.355 30.300 -1.316 0.000 1.213 217 R HN 0.801 nan 8.270 nan 0.000 0.468 218 S N -0.628 114.831 115.700 -0.402 0.000 2.596 218 S HA 0.318 4.789 4.470 0.000 0.000 0.270 218 S C 0.161 174.741 174.600 -0.034 0.000 1.155 218 S CA -0.082 57.886 58.200 -0.386 0.000 0.827 218 S CB 1.853 64.425 63.200 -1.046 0.000 1.130 218 S HN 0.766 nan 8.310 nan 0.000 0.467 219 T N -1.010 113.542 114.554 -0.004 0.000 3.022 219 T HA 0.294 4.644 4.350 0.000 0.000 0.250 219 T C 0.698 175.478 174.700 0.132 0.000 1.060 219 T CA 0.340 62.440 62.100 0.000 0.000 1.013 219 T CB 0.083 68.890 68.868 -0.102 0.000 0.982 219 T HN 0.421 nan 8.240 nan 0.000 0.508 220 S N 0.947 116.687 115.700 0.067 0.000 2.462 220 S HA 0.449 4.919 4.470 0.000 0.000 0.294 220 S C 0.902 175.459 174.600 -0.071 0.000 1.144 220 S CA -0.905 57.341 58.200 0.076 0.000 1.088 220 S CB 1.032 64.248 63.200 0.026 0.000 1.009 220 S HN 0.242 nan 8.310 nan 0.000 0.484 221 L N 5.641 126.696 121.223 -0.280 0.000 2.189 221 L HA -0.020 4.320 4.340 0.000 0.000 0.214 221 L C 0.762 177.409 176.870 -0.372 0.000 1.097 221 L CA 1.999 56.395 54.840 -0.739 0.000 0.764 221 L CB -0.699 40.826 42.059 -0.890 0.000 0.900 221 L HN 0.879 nan 8.230 nan 0.000 0.436 222 Y N -0.393 119.817 120.300 -0.150 0.000 2.493 222 Y HA 0.469 5.019 4.550 0.000 0.000 0.275 222 Y C 1.528 177.454 175.900 0.043 0.000 1.183 222 Y CA 0.090 58.178 58.100 -0.020 0.000 1.258 222 Y CB -0.466 37.975 38.460 -0.032 0.000 1.108 222 Y HN 0.248 nan 8.280 nan 0.000 0.521 223 G N 1.283 110.091 108.800 0.015 0.000 2.698 223 G HA2 -0.236 3.724 3.960 0.000 0.000 0.233 223 G HA3 -0.236 3.724 3.960 0.000 0.000 0.233 223 G C -2.515 172.363 174.900 -0.037 0.000 1.352 223 G CA -0.939 44.091 45.100 -0.118 0.000 0.879 223 G HN 0.108 nan 8.290 nan 0.000 0.567 224 P HA 0.388 nan 4.420 nan 0.000 0.271 224 P C -1.043 176.251 177.300 -0.010 0.000 1.216 224 P CA 0.079 63.224 63.100 0.075 0.000 0.776 224 P CB 0.356 32.102 31.700 0.076 0.000 0.881 225 Y N 0.829 121.192 120.300 0.104 0.000 2.350 225 Y HA 0.149 4.699 4.550 0.000 0.000 0.340 225 Y C 1.405 177.380 175.900 0.125 0.000 1.006 225 Y CA -0.310 57.827 58.100 0.062 0.000 1.166 225 Y CB 0.766 39.193 38.460 -0.053 0.000 1.168 225 Y HN 0.406 nan 8.280 nan 0.000 0.502 226 E N 1.681 122.003 120.200 0.203 0.000 2.331 226 E HA 0.448 4.798 4.350 0.000 0.000 0.272 226 E C -1.048 175.726 176.600 0.291 0.000 1.036 226 E CA -0.746 55.787 56.400 0.222 0.000 0.864 226 E CB 1.190 31.008 29.700 0.197 0.000 1.035 226 E HN 0.251 nan 8.360 nan 0.000 0.408 227 V N 3.011 123.035 119.914 0.184 0.000 2.509 227 V HA -0.003 4.117 4.120 0.000 0.000 0.284 227 V C 0.615 176.548 176.094 -0.268 0.000 1.047 227 V CA -0.743 61.600 62.300 0.073 0.000 0.952 227 V CB 0.896 32.769 31.823 0.083 0.000 0.988 227 V HN 0.721 nan 8.190 nan 0.000 0.469 228 H N 7.967 126.596 119.070 -0.734 0.000 3.201 228 H HA -0.067 4.490 4.556 0.000 0.000 0.301 228 H C -1.420 173.379 175.328 -0.881 0.000 0.948 228 H CA -0.519 54.682 56.048 -1.413 0.000 1.369 228 H CB 1.131 30.401 29.762 -0.821 0.000 1.293 228 H HN 0.434 nan 8.280 nan 0.000 0.575 229 P HA -0.078 nan 4.420 nan 0.000 0.221 229 P C 0.094 177.328 177.300 -0.110 0.000 1.150 229 P CA 1.108 64.031 63.100 -0.296 0.000 0.800 229 P CB 0.578 32.117 31.700 -0.268 0.000 0.787 230 D N -0.698 119.693 120.400 -0.015 0.000 2.559 230 D HA 0.077 4.718 4.640 0.000 0.000 0.234 230 D C 0.245 176.362 176.300 -0.305 0.000 1.226 230 D CA -0.435 53.507 54.000 -0.097 0.000 0.830 230 D CB -0.533 40.289 40.800 0.037 0.000 1.028 230 D HN 0.098 nan 8.370 nan 0.000 0.492 231 N N 2.438 120.935 118.700 -0.339 0.000 2.292 231 N HA -0.004 4.736 4.740 0.000 0.000 0.242 231 N C -2.338 173.052 175.510 -0.200 0.000 1.243 231 N CA -0.345 52.505 53.050 -0.333 0.000 0.851 231 N CB 0.553 38.922 38.487 -0.197 0.000 1.093 231 N HN -0.107 nan 8.380 nan 0.000 0.450 232 P HA 0.016 nan 4.420 nan 0.000 0.271 232 P C 0.575 177.701 177.300 -0.291 0.000 1.218 232 P CA -0.378 62.613 63.100 -0.183 0.000 0.780 232 P CB 0.602 32.245 31.700 -0.095 0.000 0.901 233 L N 2.512 123.544 121.223 -0.318 0.000 2.093 233 L HA 0.102 4.442 4.340 0.000 0.000 0.208 233 L C 0.423 177.162 176.870 -0.219 0.000 1.085 233 L CA 1.860 56.484 54.840 -0.360 0.000 0.755 233 L CB -0.438 41.460 42.059 -0.269 0.000 0.904 233 L HN 0.336 nan 8.230 nan 0.000 0.435 234 L N -1.769 119.360 121.223 -0.156 0.000 2.506 234 L HA 0.626 4.966 4.340 0.000 0.000 0.257 234 L C -1.048 175.778 176.870 -0.073 0.000 0.964 234 L CA 0.236 54.999 54.840 -0.128 0.000 0.836 234 L CB 2.094 44.036 42.059 -0.194 0.000 1.384 234 L HN -0.040 nan 8.230 nan 0.000 0.410 235 T N 0.922 115.480 114.554 0.005 0.000 3.230 235 T HA 0.300 4.651 4.350 0.000 0.000 0.390 235 T C -0.248 174.590 174.700 0.230 0.000 1.761 235 T CA 0.135 62.292 62.100 0.095 0.000 1.129 235 T CB 0.858 69.794 68.868 0.114 0.000 1.583 235 T HN 0.576 nan 8.240 nan 0.000 0.480 236 S N 1.702 117.551 115.700 0.248 0.000 2.540 236 S HA 0.106 4.577 4.470 0.000 0.000 0.218 236 S C 1.268 176.010 174.600 0.237 0.000 0.977 236 S CA -0.214 58.178 58.200 0.321 0.000 0.918 236 S CB -0.159 63.200 63.200 0.265 0.000 0.806 236 S HN 0.746 nan 8.310 nan 0.000 0.496 237 W N 4.458 125.790 121.300 0.052 0.000 2.318 237 W HA -0.119 4.541 4.660 0.000 0.000 0.313 237 W C -1.708 174.723 176.519 -0.148 0.000 1.221 237 W CA 1.602 58.940 57.345 -0.012 0.000 1.266 237 W CB -1.073 28.377 29.460 -0.016 0.000 1.150 237 W HN 0.192 nan 8.180 nan 0.000 0.496 238 P HA 0.010 nan 4.420 nan 0.000 0.255 238 P C -1.172 175.550 177.300 -0.963 0.000 1.301 238 P CA 0.873 63.378 63.100 -0.992 0.000 0.817 238 P CB -0.480 30.731 31.700 -0.815 0.000 1.259 239 Y N 0.129 120.310 120.300 -0.198 0.000 2.511 239 Y HA 0.305 4.855 4.550 0.000 0.000 0.356 239 Y C -1.603 174.230 175.900 -0.111 0.000 1.002 239 Y CA -2.874 55.154 58.100 -0.120 0.000 1.127 239 Y CB 0.621 39.050 38.460 -0.050 0.000 1.137 239 Y HN -0.022 nan 8.280 nan 0.000 0.652 240 P HA -0.052 nan 4.420 nan 0.000 0.234 240 P C 0.736 178.013 177.300 -0.037 0.000 1.167 240 P CA 1.071 64.108 63.100 -0.105 0.000 0.763 240 P CB 0.425 32.012 31.700 -0.189 0.000 0.835 241 R N -1.528 118.976 120.500 0.006 0.000 2.282 241 R HA 0.115 4.455 4.340 0.000 0.000 0.195 241 R C 0.973 177.297 176.300 0.040 0.000 0.909 241 R CA -0.374 55.734 56.100 0.013 0.000 1.039 241 R CB -0.224 30.078 30.300 0.003 0.000 1.015 241 R HN 0.055 nan 8.270 nan 0.000 0.513 242 N N 3.225 121.967 118.700 0.070 0.000 2.365 242 N HA -0.044 4.697 4.740 0.000 0.000 0.265 242 N C -1.615 173.950 175.510 0.091 0.000 1.288 242 N CA -0.783 52.311 53.050 0.074 0.000 0.869 242 N CB 1.119 39.664 38.487 0.097 0.000 1.071 242 N HN 0.019 nan 8.380 nan 0.000 0.480 243 P HA -0.069 nan 4.420 nan 0.000 0.228 243 P C 0.057 177.446 177.300 0.149 0.000 1.151 243 P CA 0.871 64.034 63.100 0.105 0.000 0.770 243 P CB 0.344 32.099 31.700 0.092 0.000 0.786 244 L N 0.771 122.082 121.223 0.147 0.000 2.272 244 L HA 0.263 4.603 4.340 0.000 0.000 0.284 244 L C 0.728 177.720 176.870 0.204 0.000 1.045 244 L CA -0.440 54.508 54.840 0.180 0.000 0.842 244 L CB 0.675 42.839 42.059 0.175 0.000 1.224 244 L HN -0.071 nan 8.230 nan 0.000 0.430 245 Q N 2.433 122.374 119.800 0.235 0.000 2.194 245 Q HA 0.339 4.679 4.340 0.000 0.000 0.245 245 Q C 0.129 176.274 176.000 0.241 0.000 0.993 245 Q CA -0.712 55.256 55.803 0.274 0.000 0.930 245 Q CB 1.483 30.458 28.738 0.395 0.000 1.238 245 Q HN 0.362 nan 8.270 nan 0.000 0.486 246 K N -1.319 119.225 120.400 0.241 0.000 3.069 246 K HA -0.200 4.121 4.320 0.000 0.000 0.267 246 K C -0.436 176.371 176.600 0.345 0.000 1.082 246 K CA 0.621 57.052 56.287 0.241 0.000 0.782 246 K CB -1.983 30.571 32.500 0.089 0.000 1.230 246 K HN 0.649 nan 8.250 nan 0.000 0.488 247 A N 0.970 123.925 122.820 0.226 0.000 2.451 247 A HA 0.615 4.935 4.320 0.000 0.000 0.266 247 A C 0.963 178.462 177.584 -0.142 0.000 1.119 247 A CA 0.862 52.971 52.037 0.121 0.000 0.786 247 A CB 0.607 19.603 19.000 -0.007 0.000 1.061 247 A HN 0.674 nan 8.150 nan 0.000 0.503 248 G N 0.437 109.086 108.800 -0.252 0.000 2.323 248 G HA2 0.416 4.376 3.960 0.000 0.000 0.291 248 G HA3 0.416 4.376 3.960 0.000 0.000 0.291 248 G C -0.361 174.444 174.900 -0.157 0.000 1.278 248 G CA -0.056 44.668 45.100 -0.626 0.000 0.860 248 G HN 1.597 nan 8.290 nan 0.000 0.504 249 H N -0.561 118.449 119.070 -0.100 0.000 2.400 249 H HA 0.057 4.613 4.556 0.000 0.000 0.310 249 H C 0.465 175.936 175.328 0.239 0.000 0.923 249 H CA 1.236 57.412 56.048 0.214 0.000 1.024 249 H CB -0.807 29.158 29.762 0.339 0.000 1.611 249 H HN 1.480 nan 8.280 nan 0.000 0.332 250 A N 2.819 125.811 122.820 0.287 0.000 2.330 250 A HA 0.782 5.103 4.320 0.000 0.000 0.329 250 A C -0.194 177.611 177.584 0.368 0.000 1.135 250 A CA 0.040 52.262 52.037 0.308 0.000 0.817 250 A CB 1.499 20.618 19.000 0.198 0.000 1.269 250 A HN 0.771 nan 8.150 nan 0.000 0.469 251 S N 0.201 116.082 115.700 0.302 0.000 2.541 251 S HA 0.727 5.197 4.470 0.000 0.000 0.280 251 S C -0.764 173.998 174.600 0.271 0.000 1.112 251 S CA -0.518 57.844 58.200 0.270 0.000 0.925 251 S CB 0.900 64.174 63.200 0.123 0.000 1.067 251 S HN 0.558 nan 8.310 nan 0.000 0.479 252 I N 1.966 122.692 120.570 0.258 0.000 2.396 252 I HA 0.562 4.732 4.170 0.000 0.000 0.292 252 I C -0.634 175.638 176.117 0.259 0.000 0.999 252 I CA -0.967 60.408 61.300 0.126 0.000 1.310 252 I CB 1.726 39.544 38.000 -0.303 0.000 1.404 252 I HN 0.498 nan 8.210 nan 0.000 0.496 253 V N 6.507 126.621 119.914 0.334 0.000 2.525 253 V HA 0.284 4.404 4.120 0.000 0.000 0.299 253 V C -0.747 175.505 176.094 0.263 0.000 1.034 253 V CA -0.372 62.131 62.300 0.339 0.000 0.863 253 V CB 1.633 33.673 31.823 0.361 0.000 0.999 253 V HN 0.741 nan 8.190 nan 0.000 0.423 254 H N 4.686 123.681 119.070 -0.125 0.000 2.690 254 H HA 0.362 4.918 4.556 0.000 0.000 0.289 254 H C 0.299 175.507 175.328 -0.201 0.000 1.089 254 H CA -0.282 55.371 56.048 -0.659 0.000 1.299 254 H CB 1.107 30.174 29.762 -1.158 0.000 1.405 254 H HN 0.734 nan 8.280 nan 0.000 0.463 255 T N 2.457 117.029 114.554 0.030 0.000 2.766 255 T HA -0.087 4.264 4.350 0.000 0.000 0.295 255 T C 1.613 176.286 174.700 -0.046 0.000 1.024 255 T CA -0.486 61.682 62.100 0.114 0.000 1.018 255 T CB 0.356 69.256 68.868 0.054 0.000 1.002 255 T HN 0.793 nan 8.240 nan 0.000 0.532 256 H N 0.455 119.548 119.070 0.038 0.000 2.556 256 H HA 0.071 4.628 4.556 0.000 0.000 0.268 256 H C 1.349 176.647 175.328 -0.049 0.000 0.996 256 H CA 1.123 57.138 56.048 -0.055 0.000 1.157 256 H CB -0.634 29.123 29.762 -0.008 0.000 1.355 256 H HN 0.542 nan 8.280 nan 0.000 0.597 257 T N -2.317 112.028 114.554 -0.347 0.000 3.243 257 T HA 0.114 4.464 4.350 0.000 0.000 0.264 257 T C 0.093 174.751 174.700 -0.069 0.000 1.000 257 T CA 0.048 62.006 62.100 -0.237 0.000 0.901 257 T CB -0.334 68.347 68.868 -0.311 0.000 1.083 257 T HN 0.158 nan 8.240 nan 0.000 0.559 258 D N 1.182 121.552 120.400 -0.049 0.000 2.882 258 D HA -0.150 4.490 4.640 0.000 0.000 0.229 258 D C -0.270 176.129 176.300 0.165 0.000 1.167 258 D CA 1.032 55.108 54.000 0.125 0.000 0.759 258 D CB -1.026 39.856 40.800 0.136 0.000 1.088 258 D HN 0.839 nan 8.370 nan 0.000 0.425 259 E N -1.007 119.267 120.200 0.123 0.000 2.222 259 E HA 0.591 4.941 4.350 0.000 0.000 0.267 259 E C -0.299 176.380 176.600 0.133 0.000 0.963 259 E CA -0.835 55.684 56.400 0.199 0.000 0.837 259 E CB 0.951 30.842 29.700 0.318 0.000 1.183 259 E HN 0.125 nan 8.360 nan 0.000 0.403 260 W N 1.353 122.742 121.300 0.149 0.000 2.600 260 W HA 0.469 5.129 4.660 0.000 0.000 0.325 260 W C -0.907 175.524 176.519 -0.147 0.000 1.034 260 W CA -0.367 57.066 57.345 0.147 0.000 1.226 260 W CB 0.884 30.448 29.460 0.173 0.000 1.379 260 W HN 0.396 nan 8.180 nan 0.000 0.466 261 F N 2.620 122.752 119.950 0.303 0.000 2.620 261 F HA 0.695 5.222 4.527 0.000 0.000 0.320 261 F C -0.730 175.188 175.800 0.196 0.000 1.069 261 F CA -1.471 56.651 58.000 0.202 0.000 0.953 261 F CB 1.739 40.819 39.000 0.132 0.000 1.322 261 F HN -0.021 nan 8.300 nan 0.000 0.479 262 L N 3.218 124.649 121.223 0.348 0.000 2.446 262 L HA 0.662 5.002 4.340 0.000 0.000 0.268 262 L C -1.083 175.966 176.870 0.299 0.000 0.975 262 L CA -0.631 54.366 54.840 0.261 0.000 0.848 262 L CB 1.457 43.607 42.059 0.151 0.000 1.225 262 L HN 0.458 nan 8.230 nan 0.000 0.410 263 V N 1.716 121.787 119.914 0.263 0.000 2.644 263 V HA 0.837 4.957 4.120 0.000 0.000 0.295 263 V C -0.531 175.708 176.094 0.242 0.000 1.053 263 V CA 0.058 62.472 62.300 0.189 0.000 0.987 263 V CB 1.214 33.083 31.823 0.077 0.000 1.006 263 V HN 1.030 nan 8.190 nan 0.000 0.472 264 H N 2.434 121.562 119.070 0.098 0.000 3.042 264 H HA 0.734 5.290 4.556 0.000 0.000 0.346 264 H C -0.806 174.586 175.328 0.107 0.000 1.294 264 H CA -1.072 55.047 56.048 0.120 0.000 1.141 264 H CB 1.167 30.981 29.762 0.086 0.000 1.872 264 H HN 0.933 nan 8.280 nan 0.000 0.541 265 L N -0.652 120.685 121.223 0.191 0.000 2.456 265 L HA 0.828 5.168 4.340 0.000 0.000 0.257 265 L C 0.160 177.177 176.870 0.244 0.000 1.162 265 L CA -0.130 54.797 54.840 0.144 0.000 0.808 265 L CB 1.264 43.444 42.059 0.203 0.000 1.136 265 L HN 0.927 nan 8.230 nan 0.000 0.466 266 T N -0.130 114.526 114.554 0.171 0.000 2.885 266 T HA 0.703 5.053 4.350 0.000 0.000 0.322 266 T C -0.655 174.147 174.700 0.170 0.000 1.387 266 T CA -0.101 62.127 62.100 0.214 0.000 1.041 266 T CB 1.170 70.176 68.868 0.230 0.000 1.287 266 T HN 1.176 nan 8.240 nan 0.000 0.491 267 G N 2.115 111.020 108.800 0.175 0.000 2.415 267 G HA2 0.637 4.597 3.960 0.000 0.000 0.327 267 G HA3 0.637 4.597 3.960 0.000 0.000 0.327 267 G C -0.945 174.096 174.900 0.236 0.000 1.182 267 G CA -0.744 44.463 45.100 0.179 0.000 0.924 267 G HN 0.736 nan 8.290 nan 0.000 0.470 268 R N 2.882 123.555 120.500 0.288 0.000 2.247 268 R HA 0.273 4.613 4.340 0.000 0.000 0.329 268 R C -2.553 174.002 176.300 0.425 0.000 1.014 268 R CA -1.405 54.913 56.100 0.365 0.000 0.907 268 R CB 1.620 32.201 30.300 0.469 0.000 1.146 268 R HN 0.334 nan 8.270 nan 0.000 0.499 269 P HA -0.030 nan 4.420 nan 0.000 0.269 269 P C -0.005 177.403 177.300 0.181 0.000 1.209 269 P CA -0.135 63.139 63.100 0.291 0.000 0.776 269 P CB 0.608 32.446 31.700 0.230 0.000 0.876 270 L N 4.098 125.439 121.223 0.198 0.000 2.492 270 L HA 0.065 4.405 4.340 0.000 0.000 0.280 270 L C -1.669 175.201 176.870 -0.000 0.000 1.240 270 L CA -1.230 53.635 54.840 0.042 0.000 0.831 270 L CB -0.799 41.363 42.059 0.172 0.000 1.100 270 L HN 0.316 nan 8.230 nan 0.000 0.505 271 P HA 0.055 nan 4.420 nan 0.000 0.265 271 P C -0.410 176.883 177.300 -0.012 0.000 1.193 271 P CA 0.249 63.319 63.100 -0.049 0.000 0.765 271 P CB 0.417 32.075 31.700 -0.071 0.000 0.823 272 R N 1.007 121.500 120.500 -0.011 0.000 2.600 272 R HA 0.130 4.470 4.340 0.000 0.000 0.392 272 R C -0.203 176.086 176.300 -0.018 0.000 1.032 272 R CA -0.238 55.858 56.100 -0.006 0.000 1.139 272 R CB 0.446 30.747 30.300 0.001 0.000 1.400 272 R HN 0.557 nan 8.270 nan 0.000 0.566 273 E N 0.081 120.267 120.200 -0.023 0.000 2.392 273 E HA 0.184 4.534 4.350 0.000 0.000 0.264 273 E C 1.066 177.651 176.600 -0.025 0.000 1.024 273 E CA 1.239 57.624 56.400 -0.024 0.000 0.903 273 E CB 0.559 30.244 29.700 -0.025 0.000 0.963 273 E HN 0.341 nan 8.360 nan 0.000 0.432 274 G N 2.056 110.841 108.800 -0.024 0.000 2.175 274 G HA2 -0.290 3.670 3.960 0.000 0.000 0.244 274 G HA3 -0.290 3.670 3.960 0.000 0.000 0.244 274 G C -0.085 174.801 174.900 -0.024 0.000 0.982 274 G CA -0.072 45.014 45.100 -0.024 0.000 0.641 274 G HN 0.431 nan 8.290 nan 0.000 0.527 275 Q N 0.199 119.984 119.800 -0.024 0.000 2.365 275 Q HA 0.519 4.859 4.340 0.000 0.000 0.269 275 Q C -2.669 173.316 176.000 -0.025 0.000 1.061 275 Q CA -2.061 53.728 55.803 -0.022 0.000 0.816 275 Q CB 1.980 30.706 28.738 -0.020 0.000 1.325 275 Q HN 0.109 nan 8.270 nan 0.000 0.446 276 P HA -0.090 nan 4.420 nan 0.000 0.261 276 P C 0.278 177.552 177.300 -0.043 0.000 1.183 276 P CA 0.028 63.111 63.100 -0.029 0.000 0.761 276 P CB 0.464 32.151 31.700 -0.021 0.000 0.785 277 L N 4.453 125.644 121.223 -0.053 0.000 2.081 277 L HA -0.179 4.161 4.340 0.000 0.000 0.212 277 L C 1.421 178.228 176.870 -0.105 0.000 1.080 277 L CA 2.013 56.809 54.840 -0.074 0.000 0.754 277 L CB -0.385 41.629 42.059 -0.074 0.000 0.893 277 L HN 0.417 nan 8.230 nan 0.000 0.433 278 L N -1.946 119.219 121.223 -0.096 0.000 2.701 278 L HA 0.132 4.472 4.340 0.000 0.000 0.238 278 L C 2.117 178.931 176.870 -0.093 0.000 1.106 278 L CA -0.038 54.732 54.840 -0.116 0.000 0.898 278 L CB -0.006 41.991 42.059 -0.104 0.000 1.188 278 L HN 0.149 nan 8.230 nan 0.000 0.508 279 E N 0.388 120.555 120.200 -0.055 0.000 2.031 279 E HA -0.159 4.191 4.350 0.000 0.000 0.193 279 E C 0.622 177.220 176.600 -0.003 0.000 0.994 279 E CA 1.364 57.755 56.400 -0.016 0.000 0.800 279 E CB 0.227 29.932 29.700 0.008 0.000 0.752 279 E HN 0.186 nan 8.360 nan 0.000 0.447 280 H N -0.744 118.256 119.070 -0.117 0.000 2.924 280 H HA 0.344 4.900 4.556 0.000 0.000 0.333 280 H C -0.171 174.986 175.328 -0.285 0.000 0.979 280 H CA -0.434 55.510 56.048 -0.174 0.000 1.326 280 H CB 0.772 30.454 29.762 -0.133 0.000 1.600 280 H HN 0.049 nan 8.280 nan 0.000 0.520 281 R N 2.545 122.673 120.500 -0.620 0.000 2.313 281 R HA 0.224 4.565 4.340 0.000 0.000 0.199 281 R C 0.515 176.515 176.300 -0.500 0.000 0.958 281 R CA 0.517 56.185 56.100 -0.720 0.000 1.047 281 R CB 0.549 30.135 30.300 -1.189 0.000 0.955 281 R HN 0.776 nan 8.270 nan 0.000 0.481 282 G N -0.422 108.283 108.800 -0.159 0.000 2.361 282 G HA2 -0.039 3.921 3.960 0.000 0.000 0.331 282 G HA3 -0.039 3.921 3.960 0.000 0.000 0.331 282 G C -1.977 172.956 174.900 0.056 0.000 1.324 282 G CA -1.032 44.110 45.100 0.069 0.000 0.984 282 G HN 0.065 nan 8.290 nan 0.000 0.586 283 Y N -0.635 119.864 120.300 0.331 0.000 2.326 283 Y HA 0.531 5.081 4.550 0.000 0.000 0.329 283 Y C 0.332 176.419 175.900 0.313 0.000 0.973 283 Y CA -0.774 57.521 58.100 0.324 0.000 1.162 283 Y CB 2.064 40.694 38.460 0.283 0.000 1.147 283 Y HN 0.679 nan 8.280 nan 0.000 0.456 284 C N 6.085 125.634 119.300 0.416 0.000 2.184 284 C HA 0.227 4.687 4.460 0.000 0.000 0.328 284 C C -1.129 174.043 174.990 0.302 0.000 1.081 284 C CA -1.390 57.843 59.018 0.359 0.000 1.533 284 C CB -0.022 27.884 27.740 0.275 0.000 1.905 284 C HN 0.648 nan 8.230 nan 0.000 0.439 285 P HA -0.051 nan 4.420 nan 0.000 0.225 285 P C 0.907 178.282 177.300 0.126 0.000 1.156 285 P CA 1.156 64.369 63.100 0.188 0.000 0.787 285 P CB 0.227 32.095 31.700 0.280 0.000 0.802 286 L N -1.308 120.013 121.223 0.164 0.000 2.627 286 L HA 0.220 4.560 4.340 0.000 0.000 0.232 286 L C 1.557 178.489 176.870 0.105 0.000 1.150 286 L CA 0.239 55.124 54.840 0.075 0.000 0.917 286 L CB -1.264 40.739 42.059 -0.092 0.000 1.104 286 L HN 0.087 nan 8.230 nan 0.000 0.445 287 G N 1.554 110.445 108.800 0.151 0.000 2.564 287 G HA2 -0.325 3.635 3.960 0.000 0.000 0.273 287 G HA3 -0.325 3.635 3.960 0.000 0.000 0.273 287 G C -0.011 174.992 174.900 0.171 0.000 1.242 287 G CA -0.214 44.988 45.100 0.171 0.000 0.951 287 G HN 0.418 nan 8.290 nan 0.000 0.564 288 R N 1.196 121.812 120.500 0.194 0.000 2.294 288 R HA 0.532 4.872 4.340 0.000 0.000 0.319 288 R C 0.038 176.429 176.300 0.151 0.000 0.984 288 R CA -0.346 55.853 56.100 0.166 0.000 0.861 288 R CB 1.384 31.780 30.300 0.160 0.000 1.104 288 R HN 0.647 nan 8.270 nan 0.000 0.451 289 E N 0.820 121.079 120.200 0.099 0.000 2.264 289 E HA 0.343 4.693 4.350 0.000 0.000 0.260 289 E C -0.628 175.949 176.600 -0.037 0.000 0.961 289 E CA -0.912 55.513 56.400 0.041 0.000 0.834 289 E CB 1.905 31.612 29.700 0.011 0.000 1.230 289 E HN 0.289 nan 8.360 nan 0.000 0.412 290 T N 0.836 115.301 114.554 -0.148 0.000 2.794 290 T HA 0.614 4.964 4.350 0.000 0.000 0.280 290 T C -0.724 173.791 174.700 -0.308 0.000 0.987 290 T CA -0.498 61.455 62.100 -0.244 0.000 0.993 290 T CB 1.182 69.854 68.868 -0.327 0.000 0.939 290 T HN 0.514 nan 8.240 nan 0.000 0.449 291 A N 3.124 125.679 122.820 -0.441 0.000 2.435 291 A HA 0.929 5.249 4.320 0.000 0.000 0.296 291 A C -1.186 176.222 177.584 -0.293 0.000 1.147 291 A CA -0.840 50.961 52.037 -0.394 0.000 0.775 291 A CB 1.256 20.018 19.000 -0.396 0.000 1.340 291 A HN 0.864 nan 8.150 nan 0.000 0.427 292 I N -0.382 120.181 120.570 -0.011 0.000 2.647 292 I HA 0.537 4.708 4.170 0.000 0.000 0.295 292 I C -1.389 174.890 176.117 0.270 0.000 1.078 292 I CA -0.521 60.878 61.300 0.165 0.000 1.048 292 I CB 1.979 40.076 38.000 0.162 0.000 1.239 292 I HN 0.622 nan 8.210 nan 0.000 0.421 293 Q N 5.982 125.967 119.800 0.310 0.000 2.389 293 Q HA 0.423 4.763 4.340 0.000 0.000 0.277 293 Q C -1.169 174.920 176.000 0.148 0.000 1.082 293 Q CA -0.764 55.166 55.803 0.211 0.000 0.810 293 Q CB 2.691 31.507 28.738 0.130 0.000 1.374 293 Q HN 0.663 nan 8.270 nan 0.000 0.422 294 R N 1.795 122.286 120.500 -0.015 0.000 2.441 294 R HA 0.542 4.882 4.340 0.000 0.000 0.284 294 R C -0.594 175.581 176.300 -0.208 0.000 1.070 294 R CA -0.187 55.713 56.100 -0.334 0.000 1.047 294 R CB 0.537 30.607 30.300 -0.384 0.000 1.016 294 R HN 0.543 nan 8.270 nan 0.000 0.477 295 L N 2.739 123.823 121.223 -0.232 0.000 2.332 295 L HA 0.521 4.861 4.340 0.000 0.000 0.269 295 L C -0.306 176.489 176.870 -0.125 0.000 1.016 295 L CA -0.709 54.030 54.840 -0.169 0.000 0.809 295 L CB 1.837 43.792 42.059 -0.173 0.000 1.280 295 L HN 0.799 nan 8.230 nan 0.000 0.447 296 E N -0.340 119.753 120.200 -0.179 0.000 2.412 296 E HA 0.478 4.828 4.350 0.000 0.000 0.279 296 E C -2.116 174.387 176.600 -0.162 0.000 0.984 296 E CA -0.951 55.425 56.400 -0.040 0.000 0.788 296 E CB 1.364 31.064 29.700 -0.000 0.000 1.277 296 E HN 0.290 nan 8.360 nan 0.000 0.455 297 W N 0.887 122.153 121.300 -0.056 0.000 2.632 297 W HA 0.528 5.189 4.660 0.000 0.000 0.328 297 W C -0.627 175.914 176.519 0.037 0.000 1.044 297 W CA -0.573 56.742 57.345 -0.049 0.000 1.225 297 W CB 1.939 31.269 29.460 -0.216 0.000 1.396 297 W HN 0.159 nan 8.180 nan 0.000 0.499 298 K N 2.216 122.829 120.400 0.355 0.000 2.468 298 K HA 0.183 4.503 4.320 0.000 0.000 0.252 298 K C -0.577 176.219 176.600 0.327 0.000 0.932 298 K CA -0.823 55.621 56.287 0.262 0.000 0.794 298 K CB 1.866 34.434 32.500 0.112 0.000 1.241 298 K HN 0.607 nan 8.250 nan 0.000 0.428 299 D N 1.418 121.949 120.400 0.219 0.000 2.713 299 D HA -0.213 4.428 4.640 0.000 0.000 0.231 299 D C 0.674 177.031 176.300 0.094 0.000 1.173 299 D CA 1.753 55.865 54.000 0.187 0.000 0.628 299 D CB -0.987 39.953 40.800 0.233 0.000 1.033 299 D HN 1.024 nan 8.370 nan 0.000 0.419 300 G N -1.251 107.595 108.800 0.076 0.000 2.176 300 G HA2 -0.263 3.697 3.960 0.000 0.000 0.252 300 G HA3 -0.263 3.697 3.960 0.000 0.000 0.252 300 G C -0.203 174.541 174.900 -0.260 0.000 1.024 300 G CA 0.344 45.407 45.100 -0.063 0.000 0.755 300 G HN 0.420 nan 8.290 nan 0.000 0.507 301 W N -0.146 121.248 121.300 0.157 0.000 3.022 301 W HA 0.575 5.235 4.660 0.000 0.000 0.335 301 W C -2.153 174.002 176.519 -0.607 0.000 1.133 301 W CA -2.398 54.769 57.345 -0.297 0.000 1.219 301 W CB 2.240 31.339 29.460 -0.601 0.000 1.409 301 W HN 0.009 nan 8.180 nan 0.000 0.507 302 P HA 0.403 nan 4.420 nan 0.000 0.281 302 P C -1.606 175.349 177.300 -0.574 0.000 1.264 302 P CA -0.380 61.960 63.100 -1.266 0.000 0.824 302 P CB 1.718 32.485 31.700 -1.555 0.000 1.092 303 Y N -1.444 118.618 120.300 -0.397 0.000 2.479 303 Y HA 0.200 4.750 4.550 0.000 0.000 0.338 303 Y C -0.118 175.656 175.900 -0.210 0.000 1.055 303 Y CA -1.067 56.918 58.100 -0.192 0.000 1.023 303 Y CB 2.027 40.420 38.460 -0.112 0.000 1.287 303 Y HN -0.025 nan 8.280 nan 0.000 0.447 304 V N 4.695 124.589 119.914 -0.034 0.000 2.446 304 V HA 0.040 4.160 4.120 0.000 0.000 0.276 304 V C 0.132 176.212 176.094 -0.023 0.000 1.030 304 V CA -0.481 61.786 62.300 -0.055 0.000 1.033 304 V CB 0.254 32.030 31.823 -0.078 0.000 0.993 304 V HN 0.540 nan 8.190 nan 0.000 0.477 305 V N 5.323 125.211 119.914 -0.043 0.000 2.584 305 V HA 0.309 4.430 4.120 0.000 0.000 0.303 305 V C 1.306 177.376 176.094 -0.040 0.000 1.035 305 V CA 1.332 63.608 62.300 -0.041 0.000 1.172 305 V CB 0.149 31.940 31.823 -0.052 0.000 0.896 305 V HN 1.324 nan 8.190 nan 0.000 0.486 306 G N 3.316 112.090 108.800 -0.043 0.000 2.255 306 G HA2 0.259 4.219 3.960 0.000 0.000 0.239 306 G HA3 0.259 4.219 3.960 0.000 0.000 0.239 306 G C 0.653 175.505 174.900 -0.079 0.000 1.083 306 G CA 0.037 45.103 45.100 -0.056 0.000 0.826 306 G HN 2.331 nan 8.290 nan 0.000 0.493 307 G N 0.011 108.778 108.800 -0.056 0.000 2.796 307 G HA2 0.058 4.018 3.960 0.000 0.000 0.226 307 G HA3 0.058 4.018 3.960 0.000 0.000 0.226 307 G C 0.611 175.478 174.900 -0.055 0.000 1.381 307 G CA 0.511 45.581 45.100 -0.050 0.000 0.867 307 G HN 2.030 nan 8.290 nan 0.000 0.552 308 N N 0.582 119.273 118.700 -0.015 0.000 2.336 308 N HA 0.314 5.054 4.740 0.000 0.000 0.189 308 N C 0.990 176.509 175.510 0.015 0.000 1.113 308 N CA 1.263 54.315 53.050 0.003 0.000 0.858 308 N CB -0.053 38.447 38.487 0.022 0.000 0.970 308 N HN 1.188 nan 8.380 nan 0.000 0.471 309 G N 0.755 109.453 108.800 -0.170 0.000 2.504 309 G HA2 0.445 4.405 3.960 0.000 0.000 0.288 309 G HA3 0.445 4.405 3.960 0.000 0.000 0.288 309 G C -2.730 172.066 174.900 -0.173 0.000 1.182 309 G CA -1.252 43.694 45.100 -0.257 0.000 0.894 309 G HN 0.147 nan 8.290 nan 0.000 0.521 310 P HA 0.228 nan 4.420 nan 0.000 0.281 310 P C -0.306 176.985 177.300 -0.015 0.000 1.252 310 P CA -0.253 62.824 63.100 -0.037 0.000 0.778 310 P CB 1.430 33.163 31.700 0.054 0.000 0.895 311 S N 2.709 118.413 115.700 0.007 0.000 2.565 311 S HA 0.092 4.562 4.470 0.000 0.000 0.274 311 S C 1.398 176.032 174.600 0.057 0.000 1.309 311 S CA -0.503 57.705 58.200 0.014 0.000 1.043 311 S CB 0.648 63.856 63.200 0.013 0.000 0.939 311 S HN 0.422 nan 8.310 nan 0.000 0.504 312 L N 2.158 123.410 121.223 0.048 0.000 2.056 312 L HA 0.153 4.493 4.340 0.000 0.000 0.207 312 L C 0.777 177.687 176.870 0.067 0.000 1.078 312 L CA 1.828 56.707 54.840 0.065 0.000 0.749 312 L CB -0.147 41.946 42.059 0.057 0.000 0.901 312 L HN 0.708 nan 8.230 nan 0.000 0.433 313 E N -0.501 119.733 120.200 0.057 0.000 2.266 313 E HA 0.518 4.868 4.350 0.000 0.000 0.268 313 E C -1.167 175.472 176.600 0.065 0.000 0.879 313 E CA -0.661 55.774 56.400 0.059 0.000 0.762 313 E CB 1.857 31.585 29.700 0.046 0.000 1.199 313 E HN 0.257 nan 8.360 nan 0.000 0.422 314 I N -0.684 119.936 120.570 0.083 0.000 3.074 314 I HA 0.513 4.683 4.170 0.000 0.000 0.310 314 I C -0.946 175.237 176.117 0.111 0.000 1.153 314 I CA -1.004 60.357 61.300 0.102 0.000 0.993 314 I CB 2.202 40.291 38.000 0.148 0.000 1.237 314 I HN 0.185 nan 8.210 nan 0.000 0.443 315 D N 3.881 124.354 120.400 0.121 0.000 2.338 315 D HA 0.285 4.925 4.640 0.000 0.000 0.255 315 D C 0.507 176.945 176.300 0.231 0.000 1.237 315 D CA 0.408 54.486 54.000 0.130 0.000 0.883 315 D CB 1.412 42.272 40.800 0.100 0.000 1.087 315 D HN 0.856 nan 8.370 nan 0.000 0.485 316 G N 3.444 112.332 108.800 0.146 0.000 2.732 316 G HA2 0.174 4.134 3.960 0.000 0.000 0.244 316 G HA3 0.174 4.134 3.960 0.000 0.000 0.244 316 G C -2.104 172.866 174.900 0.118 0.000 1.226 316 G CA -0.717 44.430 45.100 0.079 0.000 0.860 316 G HN 0.280 nan 8.290 nan 0.000 0.583 317 P HA 0.164 nan 4.420 nan 0.000 0.274 317 P C -0.163 177.121 177.300 -0.027 0.000 1.246 317 P CA -0.380 62.714 63.100 -0.010 0.000 0.795 317 P CB 0.904 32.422 31.700 -0.304 0.000 1.006 318 S N -0.043 115.651 115.700 -0.009 0.000 4.183 318 S HA 0.295 4.765 4.470 0.000 0.000 0.195 318 S C 0.517 175.087 174.600 -0.051 0.000 1.421 318 S CA -0.464 57.724 58.200 -0.021 0.000 0.920 318 S CB -1.294 61.904 63.200 -0.004 0.000 1.525 318 S HN 0.401 nan 8.310 nan 0.000 0.447 319 V N -1.239 118.642 119.914 -0.055 0.000 3.130 319 V HA 0.603 4.724 4.120 0.000 0.000 0.310 319 V C -0.592 175.473 176.094 -0.048 0.000 1.158 319 V CA -1.757 60.524 62.300 -0.032 0.000 1.029 319 V CB 1.441 33.263 31.823 -0.001 0.000 1.057 319 V HN 0.431 nan 8.190 nan 0.000 0.436 320 E N 1.008 121.182 120.200 -0.042 0.000 2.415 320 E HA 0.203 4.553 4.350 0.000 0.000 0.262 320 E C -0.168 176.364 176.600 -0.113 0.000 1.038 320 E CA -0.050 56.309 56.400 -0.069 0.000 0.921 320 E CB 0.664 30.325 29.700 -0.065 0.000 0.950 320 E HN 0.867 nan 8.360 nan 0.000 0.438 321 E N 1.829 121.953 120.200 -0.126 0.000 2.376 321 E HA 0.082 4.433 4.350 0.000 0.000 0.266 321 E C -1.265 175.191 176.600 -0.241 0.000 1.009 321 E CA -0.166 56.128 56.400 -0.177 0.000 0.902 321 E CB 0.583 30.195 29.700 -0.147 0.000 0.972 321 E HN 0.221 nan 8.360 nan 0.000 0.439 322 V N 5.147 124.842 119.914 -0.364 0.000 2.445 322 V HA 0.184 4.304 4.120 0.000 0.000 0.283 322 V C -0.153 175.411 176.094 -0.883 0.000 1.014 322 V CA -0.551 61.414 62.300 -0.559 0.000 0.852 322 V CB 1.119 32.601 31.823 -0.568 0.000 1.021 322 V HN 0.748 nan 8.190 nan 0.000 0.435 323 S N 4.617 119.892 115.700 -0.709 0.000 2.707 323 S HA 0.736 5.206 4.470 0.000 0.000 0.276 323 S C -1.155 173.000 174.600 -0.741 0.000 1.179 323 S CA -0.330 57.464 58.200 -0.677 0.000 0.992 323 S CB 1.191 64.217 63.200 -0.291 0.000 1.030 323 S HN 0.538 nan 8.310 nan 0.000 0.554 324 W N 0.572 121.866 121.300 -0.009 0.000 2.915 324 W HA 0.437 5.097 4.660 0.000 0.000 0.337 324 W C -0.256 176.286 176.519 0.037 0.000 1.102 324 W CA -0.825 56.533 57.345 0.021 0.000 1.224 324 W CB 1.023 30.512 29.460 0.048 0.000 1.416 324 W HN 0.739 nan 8.180 nan 0.000 0.503 325 E N 2.992 123.365 120.200 0.289 0.000 2.413 325 E HA 0.001 4.351 4.350 0.000 0.000 0.263 325 E C 0.253 176.963 176.600 0.183 0.000 1.015 325 E CA -0.301 56.203 56.400 0.173 0.000 0.916 325 E CB 0.685 30.462 29.700 0.129 0.000 0.947 325 E HN 0.336 nan 8.360 nan 0.000 0.440 326 K N 2.535 123.007 120.400 0.120 0.000 2.543 326 K HA -0.140 4.180 4.320 0.000 0.000 0.279 326 K C 0.117 176.796 176.600 0.132 0.000 1.001 326 K CA 0.731 57.081 56.287 0.105 0.000 1.088 326 K CB 0.320 32.808 32.500 -0.020 0.000 0.863 326 K HN 0.503 nan 8.250 nan 0.000 0.488 327 D N 3.230 123.779 120.400 0.249 0.000 2.363 327 D HA -0.001 4.640 4.640 0.000 0.000 0.214 327 D C -0.309 176.189 176.300 0.330 0.000 1.093 327 D CA 0.101 54.261 54.000 0.267 0.000 0.837 327 D CB -0.217 40.804 40.800 0.369 0.000 0.948 327 D HN 0.487 nan 8.370 nan 0.000 0.507 328 Y N -1.726 118.654 120.300 0.133 0.000 2.615 328 Y HA 0.623 5.173 4.550 0.000 0.000 0.341 328 Y C -1.310 174.625 175.900 0.058 0.000 1.089 328 Y CA -1.520 56.640 58.100 0.101 0.000 1.049 328 Y CB 1.045 39.586 38.460 0.134 0.000 1.296 328 Y HN -0.366 nan 8.280 nan 0.000 0.470 329 D N 1.920 122.317 120.400 -0.006 0.000 2.210 329 D HA 0.073 4.713 4.640 0.000 0.000 0.249 329 D C 0.786 177.013 176.300 -0.121 0.000 1.078 329 D CA -0.215 53.710 54.000 -0.125 0.000 0.875 329 D CB 1.990 42.774 40.800 -0.026 0.000 1.175 329 D HN 0.954 nan 8.370 nan 0.000 0.440 330 E N 2.480 122.539 120.200 -0.234 0.000 2.097 330 E HA -0.240 4.110 4.350 0.000 0.000 0.196 330 E C 0.134 176.754 176.600 0.033 0.000 1.000 330 E CA 1.192 57.539 56.400 -0.087 0.000 0.804 330 E CB 0.283 29.903 29.700 -0.132 0.000 0.740 330 E HN 0.228 nan 8.360 nan 0.000 0.454 331 K N 1.152 121.537 120.400 -0.025 0.000 2.367 331 K HA 0.085 4.405 4.320 0.000 0.000 0.263 331 K C -1.429 175.160 176.600 -0.019 0.000 1.000 331 K CA -0.633 55.635 56.287 -0.031 0.000 0.891 331 K CB 1.216 33.624 32.500 -0.153 0.000 1.117 331 K HN -0.064 nan 8.250 nan 0.000 0.443 332 D N 3.273 123.690 120.400 0.028 0.000 2.316 332 D HA 0.061 4.702 4.640 0.000 0.000 0.245 332 D C -0.044 176.082 176.300 -0.290 0.000 1.171 332 D CA 0.017 53.954 54.000 -0.104 0.000 0.856 332 D CB 1.283 42.032 40.800 -0.086 0.000 1.090 332 D HN 0.555 nan 8.370 nan 0.000 0.476 333 D N 2.795 123.083 120.400 -0.186 0.000 2.339 333 D HA -0.042 4.598 4.640 0.000 0.000 0.217 333 D C 0.138 176.437 176.300 -0.001 0.000 1.050 333 D CA -0.027 53.915 54.000 -0.096 0.000 0.856 333 D CB 0.161 40.938 40.800 -0.038 0.000 0.922 333 D HN 0.382 nan 8.370 nan 0.000 0.518 334 F N 0.573 120.597 119.950 0.124 0.000 3.040 334 F HA -0.196 4.331 4.527 0.000 0.000 0.298 334 F C 0.669 176.510 175.800 0.068 0.000 0.948 334 F CA -0.052 58.005 58.000 0.095 0.000 1.022 334 F CB -2.026 37.027 39.000 0.089 0.000 1.023 334 F HN 0.001 nan 8.300 nan 0.000 0.742 335 D N -0.696 119.820 120.400 0.193 0.000 2.369 335 D HA 0.194 4.834 4.640 0.000 0.000 0.211 335 D C 1.686 178.057 176.300 0.118 0.000 1.077 335 D CA 0.857 54.936 54.000 0.133 0.000 0.842 335 D CB 0.226 41.077 40.800 0.085 0.000 0.947 335 D HN 0.455 nan 8.370 nan 0.000 0.509 336 G N 1.301 110.187 108.800 0.144 0.000 2.684 336 G HA2 0.102 4.062 3.960 0.000 0.000 0.255 336 G HA3 0.102 4.062 3.960 0.000 0.000 0.255 336 G C 0.772 175.731 174.900 0.099 0.000 1.219 336 G CA -0.240 44.929 45.100 0.115 0.000 0.901 336 G HN 0.001 nan 8.290 nan 0.000 0.548 337 D N -2.174 118.269 120.400 0.072 0.000 2.355 337 D HA 0.021 4.661 4.640 0.000 0.000 0.206 337 D C 1.216 177.548 176.300 0.053 0.000 1.010 337 D CA 0.849 54.883 54.000 0.056 0.000 0.875 337 D CB -0.075 40.749 40.800 0.040 0.000 0.966 337 D HN 0.486 nan 8.370 nan 0.000 0.512 338 T N -1.800 112.791 114.554 0.062 0.000 2.907 338 T HA 0.568 4.918 4.350 0.000 0.000 0.292 338 T C -0.025 174.735 174.700 0.100 0.000 1.043 338 T CA -0.972 61.166 62.100 0.062 0.000 1.003 338 T CB 1.830 70.727 68.868 0.047 0.000 1.084 338 T HN -0.031 nan 8.240 nan 0.000 0.483 339 L N 3.036 124.319 121.223 0.099 0.000 2.525 339 L HA 0.171 4.511 4.340 0.000 0.000 0.278 339 L C 1.471 178.476 176.870 0.226 0.000 1.218 339 L CA -0.433 54.510 54.840 0.171 0.000 0.878 339 L CB 0.174 42.286 42.059 0.089 0.000 1.127 339 L HN 0.763 nan 8.230 nan 0.000 0.492 340 N N 2.521 121.429 118.700 0.347 0.000 2.356 340 N HA -0.142 4.598 4.740 0.000 0.000 0.252 340 N C 1.194 176.844 175.510 0.232 0.000 1.241 340 N CA 0.221 53.422 53.050 0.252 0.000 0.861 340 N CB 0.504 39.180 38.487 0.315 0.000 1.075 340 N HN 0.751 nan 8.380 nan 0.000 0.461 341 H N 2.298 121.358 119.070 -0.016 0.000 2.560 341 H HA -0.044 4.512 4.556 0.000 0.000 0.283 341 H C 0.330 175.464 175.328 -0.323 0.000 1.028 341 H CA 0.578 56.528 56.048 -0.164 0.000 1.221 341 H CB 0.004 29.627 29.762 -0.231 0.000 1.363 341 H HN 0.585 nan 8.280 nan 0.000 0.594 342 H N -0.021 119.104 119.070 0.092 0.000 2.551 342 H HA 0.051 4.607 4.556 0.000 0.000 0.266 342 H C -0.213 174.918 175.328 -0.328 0.000 0.977 342 H CA 0.011 55.923 56.048 -0.226 0.000 1.163 342 H CB -0.043 29.465 29.762 -0.423 0.000 1.381 342 H HN 0.255 nan 8.280 nan 0.000 0.581 343 F N 1.533 121.484 119.950 0.001 0.000 2.384 343 F HA 0.290 4.817 4.527 0.000 0.000 0.338 343 F C 0.657 176.433 175.800 -0.041 0.000 1.103 343 F CA -0.069 57.897 58.000 -0.057 0.000 1.157 343 F CB 1.043 40.015 39.000 -0.047 0.000 1.167 343 F HN -0.080 nan 8.300 nan 0.000 0.529 344 Q N 0.428 120.339 119.800 0.186 0.000 2.501 344 Q HA 0.551 4.891 4.340 0.000 0.000 0.288 344 Q C -0.873 175.257 176.000 0.217 0.000 1.051 344 Q CA -1.069 54.845 55.803 0.185 0.000 0.788 344 Q CB 2.923 31.779 28.738 0.197 0.000 1.469 344 Q HN 0.731 nan 8.270 nan 0.000 0.416 345 T N -2.295 112.435 114.554 0.294 0.000 2.916 345 T HA 0.646 4.996 4.350 0.000 0.000 0.292 345 T C -0.453 174.304 174.700 0.095 0.000 1.064 345 T CA -0.830 61.365 62.100 0.158 0.000 1.011 345 T CB 0.674 69.578 68.868 0.060 0.000 1.152 345 T HN 0.404 nan 8.240 nan 0.000 0.510 346 L N 2.684 123.797 121.223 -0.183 0.000 2.315 346 L HA 0.437 4.777 4.340 0.000 0.000 0.283 346 L C 1.416 178.153 176.870 -0.222 0.000 1.089 346 L CA -0.351 54.240 54.840 -0.415 0.000 0.833 346 L CB 0.179 41.971 42.059 -0.445 0.000 1.170 346 L HN 0.899 nan 8.230 nan 0.000 0.442 347 R N 1.427 121.830 120.500 -0.161 0.000 2.991 347 R HA -0.257 4.084 4.340 0.000 0.000 0.236 347 R C 0.060 176.271 176.300 -0.148 0.000 0.788 347 R CA 2.125 58.162 56.100 -0.104 0.000 1.764 347 R CB -1.257 28.934 30.300 -0.181 0.000 1.289 347 R HN 0.718 nan 8.270 nan 0.000 0.583 348 I N -1.578 118.812 120.570 -0.301 0.000 2.828 348 I HA 0.620 4.790 4.170 0.000 0.000 0.302 348 I C -2.691 172.976 176.117 -0.750 0.000 1.101 348 I CA -2.874 58.057 61.300 -0.614 0.000 1.031 348 I CB 2.456 40.248 38.000 -0.346 0.000 1.231 348 I HN -0.241 nan 8.210 nan 0.000 0.427 349 P HA 0.225 nan 4.420 nan 0.000 0.271 349 P C -1.064 176.098 177.300 -0.229 0.000 1.216 349 P CA 0.035 62.850 63.100 -0.474 0.000 0.776 349 P CB 0.911 32.403 31.700 -0.346 0.000 0.881 350 L N 2.594 123.753 121.223 -0.106 0.000 2.272 350 L HA 0.491 4.832 4.340 0.000 0.000 0.289 350 L C 1.381 178.219 176.870 -0.054 0.000 1.032 350 L CA -0.504 54.288 54.840 -0.080 0.000 0.810 350 L CB 1.177 43.198 42.059 -0.063 0.000 1.205 350 L HN 0.431 nan 8.230 nan 0.000 0.422 351 G N 1.277 110.043 108.800 -0.058 0.000 2.588 351 G HA2 0.153 4.113 3.960 0.000 0.000 0.281 351 G HA3 0.153 4.113 3.960 0.000 0.000 0.281 351 G C 0.605 175.485 174.900 -0.033 0.000 1.236 351 G CA -0.368 44.705 45.100 -0.045 0.000 0.969 351 G HN 0.669 nan 8.290 nan 0.000 0.504 352 E N 0.375 120.558 120.200 -0.029 0.000 2.265 352 E HA -0.140 4.210 4.350 0.000 0.000 0.196 352 E C 1.937 178.523 176.600 -0.023 0.000 0.996 352 E CA 1.189 57.581 56.400 -0.012 0.000 0.832 352 E CB -0.018 29.672 29.700 -0.016 0.000 0.756 352 E HN 0.689 nan 8.360 nan 0.000 0.491 353 D N 0.039 120.383 120.400 -0.093 0.000 2.350 353 D HA -0.118 4.522 4.640 0.000 0.000 0.216 353 D C 1.716 177.905 176.300 -0.185 0.000 0.968 353 D CA 0.642 54.510 54.000 -0.220 0.000 0.894 353 D CB -0.102 40.583 40.800 -0.192 0.000 0.909 353 D HN 0.294 nan 8.370 nan 0.000 0.520 354 I N -0.388 120.188 120.570 0.010 0.000 3.739 354 I HA 0.238 4.408 4.170 0.000 0.000 0.272 354 I C 0.691 176.914 176.117 0.177 0.000 1.167 354 I CA 0.086 61.454 61.300 0.113 0.000 1.386 354 I CB 0.374 38.379 38.000 0.008 0.000 1.490 354 I HN -0.040 nan 8.210 nan 0.000 0.452 355 A N 0.539 123.396 122.820 0.062 0.000 2.304 355 A HA 0.707 5.028 4.320 0.000 0.000 0.314 355 A C -0.491 177.091 177.584 -0.003 0.000 1.187 355 A CA -0.206 51.826 52.037 -0.008 0.000 0.810 355 A CB 1.072 20.024 19.000 -0.079 0.000 1.183 355 A HN 0.084 nan 8.150 nan 0.000 0.487 356 T N 2.539 117.080 114.554 -0.021 0.000 2.971 356 T HA 0.479 4.829 4.350 0.000 0.000 0.304 356 T C 0.217 174.881 174.700 -0.060 0.000 1.038 356 T CA -0.406 61.684 62.100 -0.016 0.000 1.007 356 T CB 0.493 69.392 68.868 0.053 0.000 1.055 356 T HN 0.438 nan 8.240 nan 0.000 0.451 357 L N 3.903 125.101 121.223 -0.042 0.000 2.592 357 L HA 0.341 4.681 4.340 0.000 0.000 0.227 357 L C 2.339 179.224 176.870 0.025 0.000 1.127 357 L CA 0.209 55.040 54.840 -0.014 0.000 0.884 357 L CB -0.008 42.058 42.059 0.011 0.000 1.065 357 L HN 0.547 nan 8.230 nan 0.000 0.457 358 K N 0.174 120.582 120.400 0.014 0.000 2.202 358 K HA 0.141 4.461 4.320 0.000 0.000 0.201 358 K C 2.241 178.848 176.600 0.012 0.000 1.051 358 K CA 0.861 57.160 56.287 0.020 0.000 0.977 358 K CB 0.083 32.591 32.500 0.013 0.000 0.792 358 K HN 0.202 nan 8.250 nan 0.000 0.469 359 A N 1.780 124.595 122.820 -0.008 0.000 1.933 359 A HA -0.141 4.179 4.320 0.000 0.000 0.218 359 A C 1.297 178.855 177.584 -0.043 0.000 1.175 359 A CA 1.134 53.149 52.037 -0.037 0.000 0.628 359 A CB -0.122 18.830 19.000 -0.080 0.000 0.814 359 A HN 0.216 nan 8.150 nan 0.000 0.444 360 R N -0.380 120.109 120.500 -0.019 0.000 2.713 360 R HA 0.338 4.678 4.340 0.000 0.000 0.282 360 R C -3.280 173.104 176.300 0.139 0.000 1.472 360 R CA -1.812 54.292 56.100 0.008 0.000 1.060 360 R CB 1.247 31.480 30.300 -0.111 0.000 1.237 360 R HN 0.012 nan 8.270 nan 0.000 0.484 361 P HA 0.058 nan 4.420 nan 0.000 0.266 361 P C 0.438 177.903 177.300 0.275 0.000 1.193 361 P CA 1.213 64.415 63.100 0.170 0.000 0.770 361 P CB 0.814 32.587 31.700 0.122 0.000 0.836 362 G N 0.503 109.429 108.800 0.211 0.000 2.155 362 G HA2 -0.228 3.732 3.960 0.000 0.000 0.257 362 G HA3 -0.228 3.732 3.960 0.000 0.000 0.257 362 G C -0.191 174.729 174.900 0.033 0.000 0.983 362 G CA 0.176 45.362 45.100 0.143 0.000 0.676 362 G HN 0.721 nan 8.290 nan 0.000 0.528 363 H N -1.975 117.216 119.070 0.201 0.000 2.930 363 H HA 0.618 5.174 4.556 0.000 0.000 0.371 363 H C -0.516 174.791 175.328 -0.034 0.000 1.169 363 H CA -0.858 55.296 56.048 0.176 0.000 1.157 363 H CB 1.682 31.520 29.762 0.127 0.000 1.789 363 H HN 0.282 nan 8.280 nan 0.000 0.547 364 L N 2.142 123.258 121.223 -0.177 0.000 2.265 364 L HA 0.426 4.766 4.340 0.000 0.000 0.288 364 L C -0.102 176.728 176.870 -0.066 0.000 1.058 364 L CA -0.208 54.380 54.840 -0.420 0.000 0.809 364 L CB 0.479 41.863 42.059 -1.125 0.000 1.179 364 L HN 0.597 nan 8.230 nan 0.000 0.429 365 R N 4.572 125.011 120.500 -0.102 0.000 2.312 365 R HA 0.607 4.947 4.340 0.000 0.000 0.311 365 R C -1.616 174.597 176.300 -0.145 0.000 1.004 365 R CA -0.715 55.298 56.100 -0.144 0.000 0.902 365 R CB 0.826 30.922 30.300 -0.340 0.000 1.073 365 R HN 0.581 nan 8.270 nan 0.000 0.457 366 L N 5.849 127.029 121.223 -0.072 0.000 2.342 366 L HA 0.353 4.693 4.340 0.000 0.000 0.276 366 L C -1.131 175.696 176.870 -0.071 0.000 0.997 366 L CA -0.721 54.101 54.840 -0.029 0.000 0.838 366 L CB 1.039 43.145 42.059 0.078 0.000 1.224 366 L HN 0.585 nan 8.230 nan 0.000 0.416 367 Y N 1.365 121.697 120.300 0.053 0.000 2.425 367 Y HA 0.402 4.952 4.550 0.000 0.000 0.331 367 Y C 1.457 177.368 175.900 0.018 0.000 1.157 367 Y CA -0.106 58.046 58.100 0.087 0.000 1.372 367 Y CB 0.675 39.167 38.460 0.053 0.000 1.253 367 Y HN 0.715 nan 8.280 nan 0.000 0.536 368 G N 4.558 113.456 108.800 0.163 0.000 2.299 368 G HA2 0.204 4.164 3.960 0.000 0.000 0.256 368 G HA3 0.204 4.164 3.960 0.000 0.000 0.256 368 G C 0.356 175.281 174.900 0.042 0.000 1.259 368 G CA -0.515 44.619 45.100 0.057 0.000 0.943 368 G HN 0.515 nan 8.290 nan 0.000 0.479 369 R N 1.878 122.366 120.500 -0.021 0.000 2.471 369 R HA 0.332 4.672 4.340 0.000 0.000 0.113 369 R C 0.485 176.786 176.300 0.002 0.000 1.392 369 R CA -0.458 55.636 56.100 -0.011 0.000 1.211 369 R CB -0.308 29.978 30.300 -0.023 0.000 1.102 369 R HN 0.650 nan 8.270 nan 0.000 0.430 370 E N 1.014 121.221 120.200 0.011 0.000 2.312 370 E HA 0.195 4.545 4.350 0.000 0.000 0.259 370 E C -0.101 176.551 176.600 0.086 0.000 1.122 370 E CA -0.438 55.991 56.400 0.049 0.000 0.922 370 E CB 0.785 30.523 29.700 0.062 0.000 1.109 370 E HN 0.440 nan 8.360 nan 0.000 0.442 371 S N 0.142 115.891 115.700 0.082 0.000 2.596 371 S HA 0.022 4.492 4.470 0.000 0.000 0.260 371 S C 1.057 175.639 174.600 -0.030 0.000 1.336 371 S CA -0.423 57.807 58.200 0.050 0.000 0.993 371 S CB 0.293 63.533 63.200 0.067 0.000 0.923 371 S HN 0.517 nan 8.310 nan 0.000 0.567 372 L N 0.845 121.891 121.223 -0.295 0.000 2.549 372 L HA -0.028 4.312 4.340 0.000 0.000 0.230 372 L C 2.417 179.260 176.870 -0.045 0.000 1.162 372 L CA 1.278 55.792 54.840 -0.543 0.000 0.834 372 L CB -0.869 40.277 42.059 -1.521 0.000 0.947 372 L HN 1.031 nan 8.230 nan 0.000 0.452 373 T N -5.636 109.000 114.554 0.136 0.000 3.105 373 T HA 0.071 4.421 4.350 0.000 0.000 0.253 373 T C 0.770 175.572 174.700 0.170 0.000 1.047 373 T CA -0.226 62.017 62.100 0.239 0.000 0.944 373 T CB 0.215 69.239 68.868 0.260 0.000 1.016 373 T HN 0.063 nan 8.240 nan 0.000 0.544 374 S N 0.888 116.671 115.700 0.138 0.000 2.513 374 S HA 0.380 4.850 4.470 0.000 0.000 0.276 374 S C 0.806 175.469 174.600 0.105 0.000 1.254 374 S CA -0.839 57.465 58.200 0.173 0.000 1.053 374 S CB 0.570 63.876 63.200 0.176 0.000 0.958 374 S HN 0.453 nan 8.310 nan 0.000 0.491 375 R N 3.172 123.708 120.500 0.061 0.000 2.391 375 R HA 0.209 4.549 4.340 0.000 0.000 0.249 375 R C -0.190 175.760 176.300 -0.583 0.000 0.957 375 R CA 0.272 56.208 56.100 -0.273 0.000 1.093 375 R CB 0.092 30.167 30.300 -0.375 0.000 1.156 375 R HN 0.594 nan 8.270 nan 0.000 0.526 376 F N -1.111 118.821 119.950 -0.030 0.000 2.223 376 F HA 0.224 4.751 4.527 0.000 0.000 0.229 376 F C 0.784 176.548 175.800 -0.059 0.000 1.066 376 F CA -0.007 57.968 58.000 -0.041 0.000 1.199 376 F CB 0.271 39.254 39.000 -0.029 0.000 1.539 376 F HN -0.354 nan 8.300 nan 0.000 0.554 377 T N 1.927 116.573 114.554 0.154 0.000 2.864 377 T HA 0.388 4.738 4.350 0.000 0.000 0.310 377 T C -0.829 173.880 174.700 0.015 0.000 1.040 377 T CA -0.557 61.567 62.100 0.041 0.000 0.977 377 T CB 1.037 69.922 68.868 0.027 0.000 0.976 377 T HN 0.076 nan 8.240 nan 0.000 0.459 378 Q N 1.700 121.490 119.800 -0.017 0.000 2.331 378 Q HA 0.613 4.953 4.340 0.000 0.000 0.267 378 Q C -0.504 175.446 176.000 -0.084 0.000 1.006 378 Q CA -0.882 54.899 55.803 -0.037 0.000 0.818 378 Q CB 2.247 30.998 28.738 0.023 0.000 1.276 378 Q HN 0.784 nan 8.270 nan 0.000 0.450 379 A N 3.674 126.381 122.820 -0.188 0.000 2.797 379 A HA 0.354 4.674 4.320 0.000 0.000 0.296 379 A C -1.097 176.352 177.584 -0.225 0.000 1.580 379 A CA 0.226 52.157 52.037 -0.177 0.000 1.277 379 A CB -0.546 18.364 19.000 -0.150 0.000 1.101 379 A HN 0.509 nan 8.150 nan 0.000 0.562 380 F N 2.669 122.449 119.950 -0.284 0.000 2.630 380 F HA 0.521 5.048 4.527 0.000 0.000 0.325 380 F C -1.382 174.333 175.800 -0.143 0.000 1.184 380 F CA -1.222 56.649 58.000 -0.216 0.000 1.011 380 F CB 1.764 40.696 39.000 -0.113 0.000 1.268 380 F HN 0.162 nan 8.300 nan 0.000 0.480 381 V N 5.217 124.912 119.914 -0.365 0.000 2.487 381 V HA 0.964 5.084 4.120 0.000 0.000 0.298 381 V C -0.470 175.307 176.094 -0.528 0.000 1.028 381 V CA -0.383 61.637 62.300 -0.467 0.000 0.860 381 V CB 1.106 32.605 31.823 -0.540 0.000 0.991 381 V HN 1.093 nan 8.190 nan 0.000 0.427 382 A N 5.135 127.772 122.820 -0.306 0.000 2.594 382 A HA 1.007 5.327 4.320 0.000 0.000 0.295 382 A C -0.792 176.806 177.584 0.025 0.000 1.071 382 A CA -0.946 50.965 52.037 -0.209 0.000 0.685 382 A CB 2.157 20.823 19.000 -0.557 0.000 1.285 382 A HN 1.011 nan 8.150 nan 0.000 0.405 383 R N 0.348 120.798 120.500 -0.084 0.000 2.854 383 R HA 0.783 5.123 4.340 0.000 0.000 0.271 383 R C -0.793 175.141 176.300 -0.610 0.000 0.994 383 R CA -0.945 54.929 56.100 -0.377 0.000 0.945 383 R CB 1.161 31.037 30.300 -0.707 0.000 1.194 383 R HN 0.603 nan 8.270 nan 0.000 0.476 384 R N 0.820 120.733 120.500 -0.979 0.000 2.537 384 R HA 0.039 4.379 4.340 0.000 0.000 0.280 384 R C -0.603 175.349 176.300 -0.581 0.000 1.058 384 R CA -0.110 55.342 56.100 -1.080 0.000 1.057 384 R CB 0.311 30.086 30.300 -0.875 0.000 0.973 384 R HN 0.472 nan 8.270 nan 0.000 0.438 385 W N 2.927 123.892 121.300 -0.559 0.000 2.505 385 W HA -0.023 4.637 4.660 0.000 0.000 0.332 385 W C 0.755 177.055 176.519 -0.364 0.000 1.434 385 W CA 0.257 57.399 57.345 -0.338 0.000 1.320 385 W CB -0.040 29.447 29.460 0.044 0.000 1.363 385 W HN 0.593 nan 8.180 nan 0.000 0.565 386 Q N 1.772 121.452 119.800 -0.199 0.000 2.189 386 Q HA 0.103 4.443 4.340 0.000 0.000 0.223 386 Q C -0.567 175.064 176.000 -0.615 0.000 0.828 386 Q CA 0.146 55.731 55.803 -0.364 0.000 0.967 386 Q CB 0.669 29.129 28.738 -0.462 0.000 1.139 386 Q HN 0.526 nan 8.270 nan 0.000 0.497 387 H N -2.245 116.873 119.070 0.080 0.000 2.930 387 H HA 0.198 4.754 4.556 0.000 0.000 0.371 387 H C -0.372 175.088 175.328 0.220 0.000 1.169 387 H CA -0.713 55.403 56.048 0.114 0.000 1.157 387 H CB 0.984 30.844 29.762 0.163 0.000 1.789 387 H HN -0.124 nan 8.280 nan 0.000 0.547 388 F N -0.333 119.864 119.950 0.412 0.000 2.293 388 F HA -0.066 4.461 4.527 0.000 0.000 0.300 388 F C 1.007 176.956 175.800 0.248 0.000 1.086 388 F CA 1.044 59.239 58.000 0.326 0.000 1.375 388 F CB 0.076 39.221 39.000 0.242 0.000 1.045 388 F HN 0.488 nan 8.300 nan 0.000 0.516 389 H N 0.148 119.394 119.070 0.294 0.000 2.685 389 H HA 0.408 4.964 4.556 0.000 0.000 0.307 389 H C -0.923 174.428 175.328 0.037 0.000 1.017 389 H CA -1.821 54.273 56.048 0.077 0.000 1.237 389 H CB 0.091 29.898 29.762 0.076 0.000 1.409 389 H HN -0.038 nan 8.280 nan 0.000 0.488 390 F N 2.898 122.705 119.950 -0.239 0.000 2.713 390 F HA 0.578 5.106 4.527 0.000 0.000 0.311 390 F C -2.219 173.328 175.800 -0.421 0.000 1.141 390 F CA -1.163 56.563 58.000 -0.456 0.000 0.939 390 F CB 0.553 39.212 39.000 -0.567 0.000 1.325 390 F HN 0.237 nan 8.300 nan 0.000 0.453 391 V N 1.783 121.591 119.914 -0.176 0.000 2.628 391 V HA 0.968 5.088 4.120 0.000 0.000 0.306 391 V C -1.033 175.057 176.094 -0.008 0.000 1.045 391 V CA -0.122 62.079 62.300 -0.166 0.000 0.905 391 V CB 1.374 33.055 31.823 -0.238 0.000 0.997 391 V HN 1.597 nan 8.190 nan 0.000 0.436 392 A N 4.982 127.818 122.820 0.027 0.000 2.515 392 A HA 0.903 5.223 4.320 0.000 0.000 0.298 392 A C -0.949 176.605 177.584 -0.050 0.000 1.059 392 A CA -0.526 51.518 52.037 0.011 0.000 0.698 392 A CB 1.922 21.079 19.000 0.263 0.000 1.289 392 A HN 0.941 nan 8.150 nan 0.000 0.404 393 E N 0.299 120.388 120.200 -0.186 0.000 2.363 393 E HA 0.620 4.970 4.350 0.000 0.000 0.281 393 E C -1.587 175.011 176.600 -0.003 0.000 0.953 393 E CA -0.291 56.119 56.400 0.017 0.000 0.778 393 E CB 2.240 31.990 29.700 0.083 0.000 1.220 393 E HN 0.688 nan 8.360 nan 0.000 0.431 394 T N 1.862 116.510 114.554 0.157 0.000 2.883 394 T HA 0.459 4.809 4.350 0.000 0.000 0.301 394 T C -1.827 172.845 174.700 -0.047 0.000 1.158 394 T CA -0.726 61.407 62.100 0.054 0.000 1.007 394 T CB 1.417 70.548 68.868 0.439 0.000 1.186 394 T HN 0.409 nan 8.240 nan 0.000 0.499 395 K N 2.712 122.889 120.400 -0.372 0.000 2.502 395 K HA 0.755 5.075 4.320 0.000 0.000 0.254 395 K C -1.797 174.736 176.600 -0.111 0.000 0.947 395 K CA -0.647 55.395 56.287 -0.408 0.000 0.834 395 K CB 1.633 33.647 32.500 -0.810 0.000 1.112 395 K HN 0.380 nan 8.250 nan 0.000 0.427 396 V N 3.363 123.270 119.914 -0.011 0.000 2.841 396 V HA 0.562 4.682 4.120 0.000 0.000 0.310 396 V C -1.336 174.784 176.094 0.043 0.000 1.090 396 V CA -0.393 61.863 62.300 -0.073 0.000 0.930 396 V CB 2.254 33.828 31.823 -0.415 0.000 1.014 396 V HN 0.932 nan 8.190 nan 0.000 0.425 397 S N 6.310 122.013 115.700 0.005 0.000 2.437 397 S HA 0.824 5.294 4.470 0.000 0.000 0.305 397 S C -1.061 173.526 174.600 -0.022 0.000 1.109 397 S CA -0.498 57.645 58.200 -0.095 0.000 1.099 397 S CB 1.318 64.334 63.200 -0.307 0.000 1.004 397 S HN 0.984 nan 8.310 nan 0.000 0.475 398 F N 2.383 122.209 119.950 -0.206 0.000 2.588 398 F HA 0.534 5.062 4.527 0.000 0.000 0.314 398 F C -0.873 174.827 175.800 -0.165 0.000 1.134 398 F CA -1.024 56.854 58.000 -0.204 0.000 0.961 398 F CB 1.862 40.765 39.000 -0.162 0.000 1.239 398 F HN 0.636 nan 8.300 nan 0.000 0.448 399 R N 6.109 126.170 120.500 -0.731 0.000 2.477 399 R HA 0.313 4.653 4.340 0.000 0.000 0.285 399 R C -2.852 172.920 176.300 -0.879 0.000 1.415 399 R CA -1.666 54.056 56.100 -0.631 0.000 1.446 399 R CB 0.985 31.047 30.300 -0.397 0.000 1.110 399 R HN 0.338 nan 8.270 nan 0.000 0.590 400 P HA 0.071 nan 4.420 nan 0.000 0.271 400 P C 0.565 177.600 177.300 -0.442 0.000 1.216 400 P CA 0.073 62.759 63.100 -0.690 0.000 0.776 400 P CB 1.046 32.560 31.700 -0.310 0.000 0.881 401 T N -1.911 112.302 114.554 -0.569 0.000 3.044 401 T HA 0.204 4.554 4.350 0.000 0.000 0.260 401 T C 0.473 174.357 174.700 -1.361 0.000 1.019 401 T CA -0.030 61.526 62.100 -0.908 0.000 0.921 401 T CB -0.111 68.399 68.868 -0.597 0.000 1.053 401 T HN 0.559 nan 8.240 nan 0.000 0.533 402 T N 0.349 114.428 114.554 -0.792 0.000 2.889 402 T HA 0.464 4.814 4.350 0.000 0.000 0.315 402 T C -0.081 174.601 174.700 -0.030 0.000 1.291 402 T CA -0.824 60.922 62.100 -0.591 0.000 1.028 402 T CB 0.771 69.269 68.868 -0.617 0.000 1.235 402 T HN 0.093 nan 8.240 nan 0.000 0.491 403 F N 1.350 121.505 119.950 0.342 0.000 2.451 403 F HA 0.153 4.680 4.527 0.000 0.000 0.299 403 F C 2.041 177.947 175.800 0.177 0.000 1.101 403 F CA 0.469 58.641 58.000 0.287 0.000 1.436 403 F CB -0.829 38.320 39.000 0.248 0.000 1.074 403 F HN 0.561 nan 8.300 nan 0.000 0.553 404 Q N 0.645 120.382 119.800 -0.104 0.000 2.488 404 Q HA -0.008 4.332 4.340 0.000 0.000 0.211 404 Q C 0.113 176.155 176.000 0.070 0.000 0.967 404 Q CA 0.661 56.464 55.803 -0.001 0.000 0.926 404 Q CB -0.139 28.518 28.738 -0.136 0.000 0.992 404 Q HN 0.634 nan 8.270 nan 0.000 0.506 405 Q N 0.088 119.954 119.800 0.111 0.000 2.301 405 Q HA 0.512 4.852 4.340 0.000 0.000 0.267 405 Q C -0.710 175.498 176.000 0.348 0.000 1.035 405 Q CA -0.589 55.347 55.803 0.222 0.000 0.856 405 Q CB 2.276 31.150 28.738 0.228 0.000 1.337 405 Q HN 0.054 nan 8.270 nan 0.000 0.450 406 S N -0.640 115.257 115.700 0.329 0.000 2.578 406 S HA 0.865 5.335 4.470 0.000 0.000 0.272 406 S C -1.740 172.709 174.600 -0.252 0.000 1.145 406 S CA -0.728 57.607 58.200 0.226 0.000 0.835 406 S CB 1.582 64.877 63.200 0.157 0.000 1.104 406 S HN 0.848 nan 8.310 nan 0.000 0.458 407 A N 0.241 122.871 122.820 -0.317 0.000 2.547 407 A HA 1.027 5.347 4.320 0.000 0.000 0.297 407 A C -0.008 177.577 177.584 0.002 0.000 1.056 407 A CA -0.221 51.618 52.037 -0.330 0.000 0.688 407 A CB 1.071 19.529 19.000 -0.903 0.000 1.282 407 A HN 2.303 nan 8.150 nan 0.000 0.400 408 G N -0.511 108.394 108.800 0.176 0.000 2.489 408 G HA2 0.603 4.563 3.960 0.000 0.000 0.305 408 G HA3 0.603 4.563 3.960 0.000 0.000 0.305 408 G C -2.151 172.939 174.900 0.316 0.000 1.311 408 G CA -0.570 44.664 45.100 0.223 0.000 0.813 408 G HN 1.327 nan 8.290 nan 0.000 0.480 409 L N 0.573 121.978 121.223 0.303 0.000 2.289 409 L HA 0.769 5.109 4.340 0.000 0.000 0.285 409 L C -0.400 176.671 176.870 0.334 0.000 1.049 409 L CA -0.581 54.495 54.840 0.393 0.000 0.804 409 L CB 1.600 43.949 42.059 0.485 0.000 1.195 409 L HN 0.362 nan 8.230 nan 0.000 0.428 410 V N 4.691 124.843 119.914 0.396 0.000 2.588 410 V HA 0.523 4.644 4.120 0.000 0.000 0.304 410 V C -0.416 176.005 176.094 0.544 0.000 1.042 410 V CA -0.933 61.580 62.300 0.354 0.000 0.877 410 V CB 1.844 33.712 31.823 0.075 0.000 0.996 410 V HN 0.723 nan 8.190 nan 0.000 0.425 411 N N 2.716 121.748 118.700 0.553 0.000 2.408 411 N HA 0.478 5.218 4.740 0.000 0.000 0.280 411 N C -1.624 174.217 175.510 0.552 0.000 1.002 411 N CA -0.293 53.098 53.050 0.568 0.000 0.907 411 N CB 2.413 41.165 38.487 0.442 0.000 1.161 411 N HN 0.784 nan 8.380 nan 0.000 0.488 412 Y N 2.021 122.565 120.300 0.406 0.000 2.406 412 Y HA 0.175 4.725 4.550 0.000 0.000 0.340 412 Y C -0.506 175.593 175.900 0.332 0.000 0.975 412 Y CA -0.640 57.714 58.100 0.423 0.000 1.056 412 Y CB 1.166 39.962 38.460 0.560 0.000 1.210 412 Y HN 0.548 nan 8.280 nan 0.000 0.448 413 Y N 4.223 124.443 120.300 -0.133 0.000 2.351 413 Y HA 0.228 4.778 4.550 0.000 0.000 0.291 413 Y C -0.008 175.694 175.900 -0.330 0.000 1.153 413 Y CA 1.140 59.154 58.100 -0.144 0.000 1.193 413 Y CB 0.453 38.818 38.460 -0.157 0.000 1.187 413 Y HN 0.769 nan 8.280 nan 0.000 0.524 414 N N -2.692 115.706 118.700 -0.503 0.000 3.344 414 N HA 0.080 4.820 4.740 0.000 0.000 0.296 414 N C 0.293 175.542 175.510 -0.436 0.000 1.571 414 N CA 0.170 52.938 53.050 -0.469 0.000 0.844 414 N CB 0.333 38.775 38.487 -0.075 0.000 1.718 414 N HN -0.008 nan 8.380 nan 0.000 0.589 415 T N -2.994 111.549 114.554 -0.019 0.000 2.977 415 T HA -0.113 4.237 4.350 0.000 0.000 0.271 415 T C 0.731 175.585 174.700 0.256 0.000 1.105 415 T CA 1.387 63.611 62.100 0.208 0.000 1.116 415 T CB -0.383 68.580 68.868 0.158 0.000 0.878 415 T HN 0.601 nan 8.240 nan 0.000 0.509 416 Q N 0.265 120.086 119.800 0.035 0.000 2.189 416 Q HA 0.281 4.621 4.340 0.000 0.000 0.223 416 Q C -0.307 175.503 176.000 -0.317 0.000 0.828 416 Q CA -0.168 55.577 55.803 -0.097 0.000 0.967 416 Q CB 0.696 29.364 28.738 -0.116 0.000 1.139 416 Q HN 0.449 nan 8.270 nan 0.000 0.497 417 N N 1.335 119.870 118.700 -0.276 0.000 2.609 417 N HA 0.211 4.951 4.740 0.000 0.000 0.268 417 N C -1.520 173.911 175.510 -0.132 0.000 1.106 417 N CA -0.143 52.735 53.050 -0.287 0.000 0.823 417 N CB 1.367 39.729 38.487 -0.209 0.000 1.263 417 N HN 0.201 nan 8.380 nan 0.000 0.533 418 W N 0.267 121.528 121.300 -0.065 0.000 2.989 418 W HA 0.471 5.131 4.660 0.000 0.000 0.344 418 W C -1.221 175.344 176.519 0.076 0.000 1.233 418 W CA -0.905 56.446 57.345 0.010 0.000 1.187 418 W CB 0.705 30.186 29.460 0.035 0.000 1.443 418 W HN 0.163 nan 8.180 nan 0.000 0.573 419 T N -0.639 114.263 114.554 0.581 0.000 2.903 419 T HA 0.647 4.997 4.350 0.000 0.000 0.299 419 T C -1.324 173.646 174.700 0.451 0.000 1.093 419 T CA -0.475 61.904 62.100 0.465 0.000 1.002 419 T CB 2.465 71.445 68.868 0.186 0.000 1.127 419 T HN 0.714 nan 8.240 nan 0.000 0.488 420 T N 1.730 116.430 114.554 0.243 0.000 2.933 420 T HA 0.571 4.921 4.350 0.000 0.000 0.305 420 T C -1.804 172.698 174.700 -0.329 0.000 1.092 420 T CA -0.733 61.358 62.100 -0.015 0.000 1.008 420 T CB 1.436 70.297 68.868 -0.011 0.000 1.102 420 T HN 0.836 nan 8.240 nan 0.000 0.469 421 L N 5.996 126.903 121.223 -0.526 0.000 2.264 421 L HA 0.608 4.948 4.340 0.000 0.000 0.287 421 L C -0.256 176.597 176.870 -0.028 0.000 1.039 421 L CA 0.064 54.707 54.840 -0.328 0.000 0.829 421 L CB 0.565 42.410 42.059 -0.357 0.000 1.211 421 L HN 0.773 nan 8.230 nan 0.000 0.427 422 Q N 4.267 124.083 119.800 0.026 0.000 2.413 422 Q HA 0.664 5.004 4.340 0.000 0.000 0.276 422 Q C -1.198 174.876 176.000 0.124 0.000 1.099 422 Q CA -0.986 54.867 55.803 0.085 0.000 0.814 422 Q CB 2.184 30.961 28.738 0.065 0.000 1.379 422 Q HN 0.618 nan 8.270 nan 0.000 0.436 423 I N 1.576 122.247 120.570 0.169 0.000 2.365 423 I HA 0.444 4.614 4.170 0.000 0.000 0.291 423 I C 0.193 176.509 176.117 0.330 0.000 1.004 423 I CA -0.150 61.292 61.300 0.238 0.000 1.311 423 I CB 1.632 39.816 38.000 0.306 0.000 1.401 423 I HN 0.832 nan 8.210 nan 0.000 0.491 424 T N 4.069 118.795 114.554 0.286 0.000 2.598 424 T HA 0.481 4.831 4.350 0.000 0.000 0.289 424 T C -2.314 172.582 174.700 0.326 0.000 1.056 424 T CA -0.534 61.765 62.100 0.332 0.000 1.088 424 T CB 1.136 70.183 68.868 0.299 0.000 1.519 424 T HN 0.579 nan 8.240 nan 0.000 0.488 425 W N 1.629 123.017 121.300 0.147 0.000 3.022 425 W HA 0.675 5.335 4.660 0.000 0.000 0.335 425 W C -1.569 175.089 176.519 0.231 0.000 1.133 425 W CA -0.505 56.914 57.345 0.123 0.000 1.219 425 W CB 1.225 30.704 29.460 0.031 0.000 1.409 425 W HN 0.764 nan 8.180 nan 0.000 0.507 426 H N 3.593 122.261 119.070 -0.669 0.000 2.717 426 H HA 0.241 4.797 4.556 0.000 0.000 0.366 426 H C 0.341 174.956 175.328 -1.189 0.000 1.132 426 H CA -0.292 55.386 56.048 -0.618 0.000 1.180 426 H CB 2.263 31.842 29.762 -0.306 0.000 1.678 426 H HN 0.628 nan 8.280 nan 0.000 0.537 427 E N 2.317 121.847 120.200 -1.116 0.000 2.219 427 E HA -0.185 4.165 4.350 0.000 0.000 0.198 427 E C 0.757 177.146 176.600 -0.352 0.000 0.998 427 E CA 1.869 57.844 56.400 -0.709 0.000 0.818 427 E CB 0.388 29.871 29.700 -0.361 0.000 0.741 427 E HN 0.617 nan 8.360 nan 0.000 0.477 428 E N -1.003 119.140 120.200 -0.096 0.000 2.367 428 E HA 0.136 4.486 4.350 0.000 0.000 0.204 428 E C 1.181 177.768 176.600 -0.021 0.000 0.840 428 E CA 0.368 56.775 56.400 0.012 0.000 1.051 428 E CB 0.362 30.119 29.700 0.096 0.000 1.051 428 E HN -0.004 nan 8.360 nan 0.000 0.509 429 K N 0.107 120.505 120.400 -0.003 0.000 2.361 429 K HA 0.232 4.553 4.320 0.000 0.000 0.196 429 K C 1.048 177.550 176.600 -0.165 0.000 1.039 429 K CA 0.498 56.704 56.287 -0.134 0.000 1.001 429 K CB 0.531 32.874 32.500 -0.262 0.000 0.795 429 K HN 0.206 nan 8.250 nan 0.000 0.495 430 G N 2.512 111.124 108.800 -0.314 0.000 2.536 430 G HA2 -0.385 3.575 3.960 0.000 0.000 0.280 430 G HA3 -0.385 3.575 3.960 0.000 0.000 0.280 430 G C -0.422 174.326 174.900 -0.253 0.000 1.152 430 G CA 0.190 45.067 45.100 -0.371 0.000 0.970 430 G HN 0.408 nan 8.290 nan 0.000 0.549 431 R N 1.298 121.787 120.500 -0.019 0.000 2.296 431 R HA 0.516 4.856 4.340 0.000 0.000 0.323 431 R C 0.539 176.839 176.300 -0.000 0.000 1.067 431 R CA 0.174 56.300 56.100 0.044 0.000 0.946 431 R CB -0.421 29.898 30.300 0.032 0.000 0.991 431 R HN 0.808 nan 8.270 nan 0.000 0.448 432 I N 1.414 122.004 120.570 0.034 0.000 2.892 432 I HA 0.433 4.603 4.170 0.000 0.000 0.306 432 I C -0.977 175.173 176.117 0.055 0.000 1.078 432 I CA -1.367 59.944 61.300 0.019 0.000 1.032 432 I CB 1.972 39.962 38.000 -0.017 0.000 1.229 432 I HN 0.369 nan 8.210 nan 0.000 0.435 433 L N 3.402 124.636 121.223 0.020 0.000 2.289 433 L HA 0.576 4.916 4.340 0.000 0.000 0.285 433 L C -0.140 176.745 176.870 0.025 0.000 1.049 433 L CA -0.277 54.572 54.840 0.015 0.000 0.804 433 L CB 1.339 43.342 42.059 -0.093 0.000 1.195 433 L HN 0.817 nan 8.230 nan 0.000 0.428 434 E N 3.667 123.902 120.200 0.059 0.000 2.416 434 E HA 0.654 5.004 4.350 0.000 0.000 0.273 434 E C -1.592 175.056 176.600 0.080 0.000 0.935 434 E CA -0.985 55.459 56.400 0.074 0.000 0.784 434 E CB 2.129 31.883 29.700 0.090 0.000 1.301 434 E HN 0.392 nan 8.360 nan 0.000 0.454 435 L N 1.611 122.902 121.223 0.114 0.000 2.322 435 L HA 0.588 4.928 4.340 0.000 0.000 0.279 435 L C -0.106 176.864 176.870 0.167 0.000 1.036 435 L CA -0.722 54.200 54.840 0.135 0.000 0.807 435 L CB 1.514 43.740 42.059 0.277 0.000 1.226 435 L HN 0.579 nan 8.230 nan 0.000 0.433 436 M N 2.466 122.177 119.600 0.184 0.000 2.378 436 M HA 0.456 4.936 4.480 0.000 0.000 0.289 436 M C -1.014 175.465 176.300 0.299 0.000 1.136 436 M CA -0.334 55.121 55.300 0.258 0.000 0.917 436 M CB 2.513 35.302 32.600 0.315 0.000 1.669 436 M HN 0.715 nan 8.290 nan 0.000 0.461 437 T N 0.379 115.007 114.554 0.123 0.000 2.907 437 T HA 0.685 5.035 4.350 0.000 0.000 0.292 437 T C -1.330 173.049 174.700 -0.534 0.000 1.043 437 T CA -0.725 61.313 62.100 -0.103 0.000 1.003 437 T CB 1.716 70.623 68.868 0.065 0.000 1.084 437 T HN 0.815 nan 8.240 nan 0.000 0.483 438 C N 2.892 121.590 119.300 -1.003 0.000 2.431 438 C HA 0.737 5.197 4.460 0.000 0.000 0.321 438 C C -1.426 173.218 174.990 -0.576 0.000 1.202 438 C CA -0.422 58.002 59.018 -0.989 0.000 1.398 438 C CB 0.464 27.098 27.740 -1.844 0.000 2.047 438 C HN 1.031 nan 8.230 nan 0.000 0.465 439 D N 3.336 123.576 120.400 -0.266 0.000 2.473 439 D HA 0.299 4.939 4.640 0.000 0.000 0.253 439 D C -0.029 176.306 176.300 0.059 0.000 1.233 439 D CA -0.086 53.887 54.000 -0.046 0.000 0.908 439 D CB 0.354 41.199 40.800 0.075 0.000 1.170 439 D HN 0.836 nan 8.370 nan 0.000 0.558 440 H N 2.814 121.818 119.070 -0.110 0.000 2.655 440 H HA -0.230 4.326 4.556 0.000 0.000 0.313 440 H C 1.259 176.538 175.328 -0.081 0.000 1.141 440 H CA 0.824 56.813 56.048 -0.099 0.000 1.138 440 H CB -0.966 28.732 29.762 -0.107 0.000 1.446 440 H HN 0.442 nan 8.280 nan 0.000 0.415 441 L N -3.283 117.904 121.223 -0.059 0.000 4.110 441 L HA -0.213 4.128 4.340 0.000 0.000 0.404 441 L C -0.310 176.538 176.870 -0.037 0.000 0.763 441 L CA 1.299 56.118 54.840 -0.035 0.000 2.413 441 L CB -0.795 41.275 42.059 0.018 0.000 1.244 441 L HN 0.175 nan 8.230 nan 0.000 0.614 442 V N 1.150 121.038 119.914 -0.043 0.000 2.461 442 V HA 0.460 4.581 4.120 0.000 0.000 0.275 442 V C 0.550 176.595 176.094 -0.082 0.000 1.047 442 V CA -0.247 62.032 62.300 -0.034 0.000 0.955 442 V CB 1.446 33.265 31.823 -0.006 0.000 0.988 442 V HN 0.031 nan 8.190 nan 0.000 0.471 443 V N 4.331 124.213 119.914 -0.053 0.000 2.532 443 V HA 0.472 4.593 4.120 0.000 0.000 0.295 443 V C -0.398 175.686 176.094 -0.016 0.000 1.041 443 V CA -0.420 61.840 62.300 -0.067 0.000 0.926 443 V CB 2.015 33.842 31.823 0.007 0.000 0.992 443 V HN 0.964 nan 8.190 nan 0.000 0.457 444 D N 2.401 122.797 120.400 -0.007 0.000 2.646 444 D HA 0.434 5.074 4.640 0.000 0.000 0.245 444 D C -0.686 175.664 176.300 0.082 0.000 1.099 444 D CA -0.412 53.611 54.000 0.039 0.000 0.849 444 D CB 2.011 42.837 40.800 0.043 0.000 1.448 444 D HN 0.506 nan 8.370 nan 0.000 0.489 445 Q N 3.683 123.531 119.800 0.081 0.000 2.644 445 Q HA 0.260 4.600 4.340 0.000 0.000 0.245 445 Q C -1.684 174.368 176.000 0.087 0.000 1.064 445 Q CA -1.614 54.248 55.803 0.099 0.000 0.860 445 Q CB 1.900 30.690 28.738 0.087 0.000 1.145 445 Q HN 0.363 nan 8.270 nan 0.000 0.515 446 P HA -0.137 nan 4.420 nan 0.000 0.220 446 P C 0.674 178.015 177.300 0.068 0.000 1.148 446 P CA 0.704 63.852 63.100 0.080 0.000 0.803 446 P CB 0.439 32.198 31.700 0.098 0.000 0.782 447 L N -0.283 120.993 121.223 0.089 0.000 2.627 447 L HA 0.116 4.456 4.340 0.000 0.000 0.232 447 L C 1.516 178.412 176.870 0.042 0.000 1.150 447 L CA -0.074 54.808 54.840 0.070 0.000 0.917 447 L CB -1.333 40.780 42.059 0.089 0.000 1.104 447 L HN -0.010 nan 8.230 nan 0.000 0.445 448 R N -0.527 119.997 120.500 0.039 0.000 2.531 448 R HA 0.445 4.785 4.340 0.000 0.000 0.273 448 R C 0.150 176.457 176.300 0.011 0.000 1.070 448 R CA -0.004 56.109 56.100 0.022 0.000 1.112 448 R CB 0.644 30.963 30.300 0.032 0.000 1.049 448 R HN 0.128 nan 8.270 nan 0.000 0.508 449 G N 2.223 111.022 108.800 -0.003 0.000 2.800 449 G HA2 0.287 4.248 3.960 0.000 0.000 0.340 449 G HA3 0.287 4.248 3.960 0.000 0.000 0.340 449 G C 0.044 174.918 174.900 -0.044 0.000 1.089 449 G CA -0.712 44.371 45.100 -0.028 0.000 1.144 449 G HN 0.736 nan 8.290 nan 0.000 0.461 450 R N 1.726 122.202 120.500 -0.041 0.000 2.476 450 R HA 0.060 4.400 4.340 0.000 0.000 0.299 450 R C -0.572 175.720 176.300 -0.013 0.000 0.699 450 R CA -0.292 55.796 56.100 -0.021 0.000 0.932 450 R CB 0.227 30.529 30.300 0.003 0.000 1.512 450 R HN 0.506 nan 8.270 nan 0.000 0.557 451 E N 1.041 121.215 120.200 -0.044 0.000 2.390 451 E HA 0.133 4.483 4.350 0.000 0.000 0.261 451 E C 0.289 176.871 176.600 -0.029 0.000 1.076 451 E CA -0.088 56.293 56.400 -0.031 0.000 0.905 451 E CB 0.785 30.450 29.700 -0.059 0.000 0.984 451 E HN 0.143 nan 8.360 nan 0.000 0.427 452 I N 1.936 122.493 120.570 -0.022 0.000 2.556 452 I HA 0.033 4.203 4.170 0.000 0.000 0.284 452 I C 0.018 176.138 176.117 0.005 0.000 1.114 452 I CA -0.262 61.027 61.300 -0.017 0.000 1.418 452 I CB 0.105 38.013 38.000 -0.153 0.000 1.394 452 I HN 0.193 nan 8.210 nan 0.000 0.552 453 V N 7.484 127.421 119.914 0.039 0.000 2.432 453 V HA 0.122 4.242 4.120 0.000 0.000 0.271 453 V C 0.434 176.560 176.094 0.052 0.000 1.046 453 V CA -0.548 61.762 62.300 0.018 0.000 0.945 453 V CB 1.561 33.384 31.823 -0.000 0.000 0.992 453 V HN 0.451 nan 8.190 nan 0.000 0.471 454 V N 8.435 128.327 119.914 -0.037 0.000 2.432 454 V HA 0.227 4.347 4.120 0.000 0.000 0.271 454 V C -2.062 173.890 176.094 -0.237 0.000 1.046 454 V CA -1.753 60.415 62.300 -0.220 0.000 0.945 454 V CB 1.015 32.723 31.823 -0.192 0.000 0.992 454 V HN 0.777 nan 8.190 nan 0.000 0.471 455 P HA 0.031 nan 4.420 nan 0.000 0.262 455 P C 0.714 177.900 177.300 -0.190 0.000 1.199 455 P CA 0.171 63.144 63.100 -0.211 0.000 0.763 455 P CB 0.384 31.956 31.700 -0.215 0.000 0.790 456 D N 3.275 123.606 120.400 -0.115 0.000 2.276 456 D HA -0.260 4.380 4.640 0.000 0.000 0.200 456 D C 1.045 177.287 176.300 -0.097 0.000 1.004 456 D CA 1.723 55.669 54.000 -0.091 0.000 0.898 456 D CB -0.023 40.743 40.800 -0.056 0.000 0.906 456 D HN 0.457 nan 8.370 nan 0.000 0.457 457 D N -0.847 119.494 120.400 -0.097 0.000 2.339 457 D HA -0.067 4.573 4.640 0.000 0.000 0.217 457 D C 0.338 176.586 176.300 -0.088 0.000 1.050 457 D CA -0.201 53.753 54.000 -0.077 0.000 0.856 457 D CB 0.110 40.883 40.800 -0.046 0.000 0.922 457 D HN 0.215 nan 8.370 nan 0.000 0.518 458 I N 2.124 122.608 120.570 -0.142 0.000 2.325 458 I HA 0.080 4.250 4.170 0.000 0.000 0.291 458 I C 1.509 177.549 176.117 -0.128 0.000 1.019 458 I CA -0.198 61.021 61.300 -0.135 0.000 1.302 458 I CB 1.406 39.227 38.000 -0.298 0.000 1.401 458 I HN 0.022 nan 8.210 nan 0.000 0.485 459 E N 6.022 126.156 120.200 -0.111 0.000 2.021 459 E HA -0.086 4.264 4.350 0.000 0.000 0.189 459 E C -0.439 175.935 176.600 -0.377 0.000 0.980 459 E CA 1.170 57.386 56.400 -0.306 0.000 0.803 459 E CB 0.229 29.670 29.700 -0.432 0.000 0.766 459 E HN 0.502 nan 8.360 nan 0.000 0.449 460 Y N 0.193 120.511 120.300 0.030 0.000 2.341 460 Y HA 0.389 4.939 4.550 0.000 0.000 0.337 460 Y C -0.452 175.474 175.900 0.042 0.000 1.014 460 Y CA -1.150 56.927 58.100 -0.038 0.000 1.111 460 Y CB 1.793 40.146 38.460 -0.179 0.000 1.194 460 Y HN -0.208 nan 8.280 nan 0.000 0.462 461 V N 3.881 123.910 119.914 0.192 0.000 2.509 461 V HA 0.221 4.341 4.120 0.000 0.000 0.284 461 V C -0.806 175.418 176.094 0.217 0.000 1.047 461 V CA -1.093 61.402 62.300 0.324 0.000 0.952 461 V CB 0.525 32.528 31.823 0.299 0.000 0.988 461 V HN 0.604 nan 8.190 nan 0.000 0.469 462 Y N 4.955 125.406 120.300 0.252 0.000 2.353 462 Y HA 0.619 5.169 4.550 0.000 0.000 0.340 462 Y C 0.039 176.199 175.900 0.435 0.000 0.972 462 Y CA -0.577 57.668 58.100 0.242 0.000 1.157 462 Y CB 1.127 39.536 38.460 -0.084 0.000 1.157 462 Y HN 0.408 nan 8.280 nan 0.000 0.495 463 L N 4.902 126.489 121.223 0.607 0.000 2.322 463 L HA 0.714 5.054 4.340 0.000 0.000 0.281 463 L C -0.334 176.878 176.870 0.570 0.000 1.014 463 L CA -0.867 54.336 54.840 0.604 0.000 0.815 463 L CB 2.117 44.447 42.059 0.452 0.000 1.247 463 L HN 0.579 nan 8.230 nan 0.000 0.421 464 R N 1.943 122.762 120.500 0.532 0.000 2.771 464 R HA 0.835 5.175 4.340 0.000 0.000 0.274 464 R C -2.079 174.381 176.300 0.266 0.000 0.987 464 R CA -0.583 55.669 56.100 0.254 0.000 0.908 464 R CB 2.627 32.844 30.300 -0.138 0.000 1.213 464 R HN 0.400 nan 8.270 nan 0.000 0.468 465 V N 2.282 122.254 119.914 0.096 0.000 2.760 465 V HA 0.587 4.707 4.120 0.000 0.000 0.309 465 V C -1.435 174.546 176.094 -0.190 0.000 1.077 465 V CA -0.279 61.982 62.300 -0.065 0.000 0.910 465 V CB 2.574 34.285 31.823 -0.187 0.000 1.008 465 V HN 0.932 nan 8.190 nan 0.000 0.424 466 T N 5.621 120.048 114.554 -0.211 0.000 2.833 466 T HA 0.516 4.866 4.350 0.000 0.000 0.297 466 T C -0.627 173.890 174.700 -0.305 0.000 1.015 466 T CA -0.344 61.596 62.100 -0.267 0.000 0.963 466 T CB 1.299 70.069 68.868 -0.163 0.000 0.955 466 T HN 0.456 nan 8.240 nan 0.000 0.449 467 V N 4.272 123.824 119.914 -0.604 0.000 2.407 467 V HA 0.368 4.488 4.120 0.000 0.000 0.278 467 V C 0.166 176.146 176.094 -0.190 0.000 1.037 467 V CA -0.516 61.427 62.300 -0.595 0.000 0.900 467 V CB 1.346 32.268 31.823 -1.502 0.000 0.983 467 V HN 0.828 nan 8.190 nan 0.000 0.459 468 Q N 3.573 123.368 119.800 -0.008 0.000 2.798 468 Q HA 0.546 4.886 4.340 0.000 0.000 0.250 468 Q C 0.785 176.825 176.000 0.067 0.000 1.006 468 Q CA 0.325 56.162 55.803 0.057 0.000 0.759 468 Q CB 1.514 30.261 28.738 0.015 0.000 1.201 468 Q HN 1.041 nan 8.270 nan 0.000 0.486 469 A N 0.914 123.820 122.820 0.144 0.000 5.110 469 A HA -0.423 3.897 4.320 0.000 0.000 0.349 469 A C 1.720 179.444 177.584 0.233 0.000 1.690 469 A CA 2.833 54.987 52.037 0.194 0.000 0.696 469 A CB -2.218 16.788 19.000 0.011 0.000 1.479 469 A HN 0.734 nan 8.150 nan 0.000 0.403 470 T N -2.093 112.541 114.554 0.134 0.000 2.867 470 T HA 0.306 4.657 4.350 0.000 0.000 0.268 470 T C 1.009 175.815 174.700 0.177 0.000 1.057 470 T CA 2.337 64.529 62.100 0.152 0.000 1.136 470 T CB -0.932 67.980 68.868 0.072 0.000 0.874 470 T HN 2.281 nan 8.240 nan 0.000 0.466 471 T N -0.321 114.316 114.554 0.139 0.000 2.901 471 T HA 0.657 5.008 4.350 0.000 0.000 0.293 471 T C -1.318 173.473 174.700 0.151 0.000 1.084 471 T CA -1.135 61.020 62.100 0.090 0.000 1.008 471 T CB 2.248 71.117 68.868 0.003 0.000 1.170 471 T HN 0.561 nan 8.240 nan 0.000 0.509 472 Y N -1.445 118.901 120.300 0.076 0.000 2.638 472 Y HA 0.846 5.396 4.550 0.000 0.000 0.335 472 Y C -1.436 174.504 175.900 0.067 0.000 1.155 472 Y CA -1.333 56.759 58.100 -0.012 0.000 1.046 472 Y CB 1.517 39.913 38.460 -0.105 0.000 1.303 472 Y HN 0.854 nan 8.280 nan 0.000 0.460 473 K N 1.584 122.109 120.400 0.208 0.000 2.464 473 K HA 0.450 4.770 4.320 0.000 0.000 0.253 473 K C -2.072 174.626 176.600 0.164 0.000 0.933 473 K CA -0.940 55.468 56.287 0.202 0.000 0.801 473 K CB 2.342 34.912 32.500 0.117 0.000 1.271 473 K HN 0.697 nan 8.250 nan 0.000 0.430 474 Y N 0.677 121.217 120.300 0.401 0.000 2.334 474 Y HA 0.304 4.854 4.550 0.000 0.000 0.328 474 Y C 0.664 176.745 175.900 0.301 0.000 1.130 474 Y CA -0.017 58.289 58.100 0.343 0.000 1.163 474 Y CB 1.868 40.557 38.460 0.382 0.000 1.207 474 Y HN 0.610 nan 8.280 nan 0.000 0.471 475 S N 2.296 118.281 115.700 0.474 0.000 2.651 475 S HA 0.841 5.311 4.470 0.000 0.000 0.279 475 S C -1.580 173.399 174.600 0.633 0.000 1.148 475 S CA -0.800 57.655 58.200 0.425 0.000 0.837 475 S CB 2.113 65.468 63.200 0.259 0.000 1.138 475 S HN 0.662 nan 8.310 nan 0.000 0.478 476 Y N -1.551 119.050 120.300 0.501 0.000 2.625 476 Y HA 0.868 5.419 4.550 0.000 0.000 0.338 476 Y C -0.792 175.092 175.900 -0.027 0.000 1.123 476 Y CA -0.842 57.487 58.100 0.382 0.000 1.046 476 Y CB 1.268 39.841 38.460 0.189 0.000 1.299 476 Y HN 0.898 nan 8.280 nan 0.000 0.464 477 S N 0.682 116.199 115.700 -0.305 0.000 2.546 477 S HA 0.594 5.064 4.470 0.000 0.000 0.274 477 S C -1.211 173.320 174.600 -0.116 0.000 1.121 477 S CA -0.624 57.160 58.200 -0.693 0.000 0.887 477 S CB 0.648 62.821 63.200 -1.713 0.000 1.094 477 S HN 0.577 nan 8.310 nan 0.000 0.474 478 F N 2.066 121.983 119.950 -0.055 0.000 2.693 478 F HA 0.285 4.812 4.527 0.000 0.000 0.303 478 F C 1.160 176.933 175.800 -0.044 0.000 1.097 478 F CA -0.393 57.657 58.000 0.083 0.000 1.330 478 F CB -0.032 39.030 39.000 0.103 0.000 1.067 478 F HN 0.705 nan 8.300 nan 0.000 0.565 479 D N -3.980 116.224 120.400 -0.327 0.000 2.410 479 D HA 0.265 4.905 4.640 0.000 0.000 0.275 479 D C 1.622 177.392 176.300 -0.884 0.000 1.152 479 D CA 0.666 54.417 54.000 -0.415 0.000 0.825 479 D CB 0.162 40.862 40.800 -0.166 0.000 1.312 479 D HN 0.057 nan 8.370 nan 0.000 0.532 480 G N 0.396 108.297 108.800 -1.499 0.000 2.176 480 G HA2 -0.350 3.610 3.960 0.000 0.000 0.253 480 G HA3 -0.350 3.610 3.960 0.000 0.000 0.253 480 G C 0.828 175.517 174.900 -0.352 0.000 0.979 480 G CA 0.792 45.278 45.100 -1.024 0.000 0.641 480 G HN 0.352 nan 8.290 nan 0.000 0.530 481 M N -1.256 118.088 119.600 -0.427 0.000 2.429 481 M HA 0.311 4.791 4.480 0.000 0.000 0.230 481 M C 0.156 176.395 176.300 -0.102 0.000 1.469 481 M CA 0.185 55.416 55.300 -0.116 0.000 1.097 481 M CB 0.485 33.035 32.600 -0.083 0.000 1.490 481 M HN 0.027 nan 8.290 nan 0.000 0.556 482 N N 0.832 119.365 118.700 -0.277 0.000 2.678 482 N HA 0.223 4.963 4.740 0.000 0.000 0.231 482 N C -1.899 173.422 175.510 -0.316 0.000 1.038 482 N CA -0.053 52.881 53.050 -0.195 0.000 0.932 482 N CB 0.209 38.603 38.487 -0.155 0.000 1.176 482 N HN 0.135 nan 8.380 nan 0.000 0.511 483 W N 2.672 123.876 121.300 -0.161 0.000 2.316 483 W HA 0.472 5.133 4.660 0.000 0.000 0.311 483 W C 0.240 176.593 176.519 -0.276 0.000 1.217 483 W CA -0.509 56.710 57.345 -0.210 0.000 1.199 483 W CB 0.672 30.064 29.460 -0.112 0.000 1.202 483 W HN 0.161 nan 8.180 nan 0.000 0.528 484 I N 4.009 124.405 120.570 -0.291 0.000 2.378 484 I HA 0.140 4.310 4.170 0.000 0.000 0.291 484 I C -0.134 175.856 176.117 -0.212 0.000 0.992 484 I CA -1.047 60.041 61.300 -0.352 0.000 1.154 484 I CB 1.018 38.632 38.000 -0.644 0.000 1.315 484 I HN 0.215 nan 8.210 nan 0.000 0.448 485 D N 6.299 126.686 120.400 -0.022 0.000 2.382 485 D HA 0.280 4.920 4.640 0.000 0.000 0.245 485 D C -0.170 176.221 176.300 0.151 0.000 1.120 485 D CA 0.061 54.114 54.000 0.088 0.000 0.890 485 D CB 1.296 42.140 40.800 0.073 0.000 1.201 485 D HN 0.233 nan 8.370 nan 0.000 0.433 486 L N 4.049 125.429 121.223 0.262 0.000 2.349 486 L HA 0.225 4.565 4.340 0.000 0.000 0.275 486 L C -1.615 175.369 176.870 0.189 0.000 1.115 486 L CA -1.368 53.640 54.840 0.280 0.000 0.820 486 L CB 0.635 42.922 42.059 0.380 0.000 1.135 486 L HN 0.213 nan 8.230 nan 0.000 0.445 487 P HA 0.120 nan 4.420 nan 0.000 0.225 487 P C -0.942 176.358 177.300 0.000 0.000 1.768 487 P CA 0.149 63.284 63.100 0.057 0.000 0.943 487 P CB 0.045 31.774 31.700 0.048 0.000 1.936 488 V N 0.219 120.115 119.914 -0.030 0.000 2.711 488 V HA 0.262 4.382 4.120 0.000 0.000 0.304 488 V C 0.004 175.893 176.094 -0.342 0.000 1.097 488 V CA -0.380 61.774 62.300 -0.244 0.000 0.906 488 V CB 2.417 34.017 31.823 -0.373 0.000 1.015 488 V HN 0.046 nan 8.190 nan 0.000 0.427 489 T N 5.383 119.706 114.554 -0.383 0.000 2.767 489 T HA 0.682 5.032 4.350 0.000 0.000 0.288 489 T C -0.526 173.844 174.700 -0.550 0.000 0.963 489 T CA 0.011 61.914 62.100 -0.328 0.000 1.019 489 T CB 0.418 69.180 68.868 -0.177 0.000 0.923 489 T HN 0.284 nan 8.240 nan 0.000 0.468 490 F N 1.348 121.064 119.950 -0.390 0.000 2.440 490 F HA 0.455 4.983 4.527 0.000 0.000 0.328 490 F C 0.996 176.452 175.800 -0.573 0.000 1.070 490 F CA -1.098 56.532 58.000 -0.617 0.000 1.011 490 F CB 1.209 39.506 39.000 -1.171 0.000 1.226 490 F HN 0.442 nan 8.300 nan 0.000 0.491 491 E N 0.125 120.220 120.200 -0.176 0.000 2.165 491 E HA 0.244 4.594 4.350 0.000 0.000 0.266 491 E C -0.094 176.525 176.600 0.031 0.000 0.889 491 E CA -0.307 56.057 56.400 -0.059 0.000 0.756 491 E CB 1.583 31.247 29.700 -0.059 0.000 1.131 491 E HN 0.554 nan 8.360 nan 0.000 0.411 492 S N 1.747 117.613 115.700 0.278 0.000 2.447 492 S HA -0.190 4.280 4.470 0.000 0.000 0.233 492 S C 1.695 176.395 174.600 0.166 0.000 1.006 492 S CA 0.833 59.288 58.200 0.425 0.000 0.957 492 S CB -0.332 63.251 63.200 0.638 0.000 0.773 492 S HN 0.679 nan 8.310 nan 0.000 0.507 493 Y N 2.002 122.284 120.300 -0.031 0.000 2.352 493 Y HA 0.103 4.654 4.550 0.000 0.000 0.292 493 Y C 1.525 177.186 175.900 -0.398 0.000 1.136 493 Y CA 0.792 58.764 58.100 -0.213 0.000 1.227 493 Y CB -0.563 37.576 38.460 -0.535 0.000 0.991 493 Y HN 0.032 nan 8.280 nan 0.000 0.545 494 K N 0.142 119.881 120.400 -1.102 0.000 2.515 494 K HA 0.004 4.324 4.320 0.000 0.000 0.196 494 K C 0.078 176.459 176.600 -0.366 0.000 1.038 494 K CA 0.420 56.051 56.287 -1.093 0.000 0.967 494 K CB 0.011 31.887 32.500 -1.040 0.000 0.780 494 K HN 0.273 nan 8.250 nan 0.000 0.483 495 L N 0.854 121.952 121.223 -0.209 0.000 3.094 495 L HA 0.114 4.454 4.340 0.000 0.000 0.254 495 L C -0.124 176.696 176.870 -0.084 0.000 1.298 495 L CA -0.019 54.751 54.840 -0.118 0.000 1.050 495 L CB 0.126 42.074 42.059 -0.184 0.000 1.420 495 L HN -0.047 nan 8.230 nan 0.000 0.548 496 S N -3.950 111.665 115.700 -0.143 0.000 2.568 496 S HA 0.480 4.950 4.470 0.000 0.000 0.293 496 S C 0.588 175.043 174.600 -0.241 0.000 1.089 496 S CA -0.764 57.428 58.200 -0.013 0.000 0.945 496 S CB 1.972 65.319 63.200 0.244 0.000 1.077 496 S HN 0.079 nan 8.310 nan 0.000 0.485 497 D N 1.680 122.048 120.400 -0.054 0.000 2.154 497 D HA -0.188 4.452 4.640 0.000 0.000 0.190 497 D C 1.236 177.522 176.300 -0.023 0.000 1.003 497 D CA 2.044 56.007 54.000 -0.061 0.000 0.849 497 D CB -0.430 40.410 40.800 0.066 0.000 0.942 497 D HN 0.747 nan 8.370 nan 0.000 0.446 498 D N -0.862 119.631 120.400 0.156 0.000 2.263 498 D HA -0.175 4.466 4.640 0.000 0.000 0.208 498 D C 1.863 178.416 176.300 0.422 0.000 0.971 498 D CA 0.535 54.688 54.000 0.255 0.000 0.867 498 D CB -0.174 40.778 40.800 0.254 0.000 0.929 498 D HN 0.328 nan 8.370 nan 0.000 0.492 499 Y N 1.444 121.938 120.300 0.323 0.000 2.475 499 Y HA 0.022 4.572 4.550 0.000 0.000 0.289 499 Y C 0.844 176.851 175.900 0.178 0.000 1.121 499 Y CA 0.073 58.355 58.100 0.304 0.000 1.257 499 Y CB 0.210 38.748 38.460 0.130 0.000 1.026 499 Y HN -0.224 nan 8.280 nan 0.000 0.555 500 I N 2.442 122.991 120.570 -0.035 0.000 2.452 500 I HA -0.003 4.167 4.170 0.000 0.000 0.287 500 I C 1.050 177.179 176.117 0.020 0.000 1.079 500 I CA -0.056 61.192 61.300 -0.086 0.000 1.387 500 I CB 1.186 39.028 38.000 -0.264 0.000 1.404 500 I HN 0.136 nan 8.210 nan 0.000 0.522 501 K N 3.756 124.277 120.400 0.201 0.000 2.097 501 K HA -0.119 4.202 4.320 0.000 0.000 0.206 501 K C 1.951 178.562 176.600 0.017 0.000 1.049 501 K CA 1.367 57.667 56.287 0.021 0.000 0.933 501 K CB -0.389 32.056 32.500 -0.092 0.000 0.717 501 K HN 0.745 nan 8.250 nan 0.000 0.442 502 S N 0.590 116.302 115.700 0.019 0.000 2.442 502 S HA -0.117 4.353 4.470 0.000 0.000 0.236 502 S C 1.094 175.678 174.600 -0.027 0.000 1.007 502 S CA 1.005 59.204 58.200 -0.001 0.000 0.965 502 S CB -0.140 63.052 63.200 -0.013 0.000 0.773 502 S HN 0.337 nan 8.310 nan 0.000 0.504 503 R N -0.540 119.914 120.500 -0.077 0.000 3.977 503 R HA -0.177 4.163 4.340 0.000 0.000 0.428 503 R C 0.284 176.401 176.300 -0.305 0.000 1.079 503 R CA 0.860 56.888 56.100 -0.119 0.000 1.269 503 R CB -2.207 28.092 30.300 -0.002 0.000 1.856 503 R HN 0.616 nan 8.270 nan 0.000 0.551 504 A N 0.807 123.442 122.820 -0.308 0.000 2.807 504 A HA 0.649 4.970 4.320 0.000 0.000 0.307 504 A C 0.184 177.367 177.584 -0.668 0.000 1.532 504 A CA 0.557 52.251 52.037 -0.571 0.000 1.215 504 A CB 0.323 19.252 19.000 -0.118 0.000 1.127 504 A HN 0.422 nan 8.150 nan 0.000 0.543 505 A N 1.992 124.125 122.820 -1.144 0.000 3.005 505 A HA 0.636 4.956 4.320 0.000 0.000 0.308 505 A C -0.751 176.497 177.584 -0.561 0.000 1.173 505 A CA -0.273 51.446 52.037 -0.529 0.000 0.796 505 A CB 0.027 18.842 19.000 -0.308 0.000 1.325 505 A HN 0.582 nan 8.150 nan 0.000 0.467 506 F N 0.539 120.279 119.950 -0.350 0.000 2.775 506 F HA 0.158 4.685 4.527 0.000 0.000 0.313 506 F C 1.687 177.016 175.800 -0.784 0.000 1.121 506 F CA 0.512 58.105 58.000 -0.678 0.000 1.206 506 F CB 0.237 38.472 39.000 -1.275 0.000 1.052 506 F HN 0.504 nan 8.300 nan 0.000 0.524 507 T N -2.299 111.949 114.554 -0.510 0.000 2.589 507 T HA 0.819 5.169 4.350 0.000 0.000 0.178 507 T C 0.814 175.106 174.700 -0.680 0.000 0.708 507 T CA 0.157 61.646 62.100 -1.019 0.000 1.734 507 T CB 0.428 68.643 68.868 -1.088 0.000 2.792 507 T HN 0.256 nan 8.240 nan 0.000 0.406 508 G N -0.024 108.400 108.800 -0.627 0.000 2.350 508 G HA2 0.535 4.495 3.960 0.000 0.000 0.304 508 G HA3 0.535 4.495 3.960 0.000 0.000 0.304 508 G C -1.102 173.675 174.900 -0.204 0.000 1.421 508 G CA -0.515 44.477 45.100 -0.181 0.000 0.934 508 G HN 0.935 nan 8.290 nan 0.000 0.632 509 A N -0.259 122.451 122.820 -0.184 0.000 2.401 509 A HA 0.782 5.102 4.320 0.000 0.000 0.259 509 A C -0.601 176.812 177.584 -0.284 0.000 1.103 509 A CA 0.130 51.932 52.037 -0.391 0.000 0.789 509 A CB 0.028 18.249 19.000 -1.298 0.000 1.035 509 A HN 0.852 nan 8.150 nan 0.000 0.491 510 F N 0.776 120.639 119.950 -0.145 0.000 2.538 510 F HA 0.581 5.108 4.527 0.000 0.000 0.325 510 F C 0.200 176.230 175.800 0.383 0.000 1.066 510 F CA -0.742 57.285 58.000 0.046 0.000 0.946 510 F CB 2.332 41.243 39.000 -0.148 0.000 1.199 510 F HN 0.434 nan 8.300 nan 0.000 0.473 511 V N 1.863 122.110 119.914 0.556 0.000 2.604 511 V HA 0.977 5.097 4.120 0.000 0.000 0.305 511 V C -0.569 175.784 176.094 0.432 0.000 1.043 511 V CA 0.089 62.761 62.300 0.620 0.000 0.888 511 V CB 1.212 33.458 31.823 0.704 0.000 0.995 511 V HN 0.913 nan 8.190 nan 0.000 0.429 512 G N 5.230 114.304 108.800 0.457 0.000 2.561 512 G HA2 0.532 4.492 3.960 0.000 0.000 0.310 512 G HA3 0.532 4.492 3.960 0.000 0.000 0.310 512 G C -1.744 173.308 174.900 0.253 0.000 1.292 512 G CA -0.951 44.221 45.100 0.120 0.000 0.811 512 G HN 0.729 nan 8.290 nan 0.000 0.482 513 M N 1.128 120.707 119.600 -0.035 0.000 2.311 513 M HA 0.457 4.937 4.480 0.000 0.000 0.325 513 M C -0.981 175.353 176.300 0.056 0.000 1.061 513 M CA -0.753 54.410 55.300 -0.228 0.000 0.957 513 M CB 2.372 34.274 32.600 -1.163 0.000 1.646 513 M HN 0.610 nan 8.290 nan 0.000 0.434 514 H N 1.429 120.527 119.070 0.046 0.000 2.717 514 H HA 0.553 5.109 4.556 0.000 0.000 0.366 514 H C -1.865 173.487 175.328 0.041 0.000 1.132 514 H CA -0.581 55.482 56.048 0.026 0.000 1.180 514 H CB 2.208 31.820 29.762 -0.251 0.000 1.678 514 H HN 0.880 nan 8.280 nan 0.000 0.537 515 C N 6.163 125.306 119.300 -0.262 0.000 2.441 515 C HA 0.560 5.020 4.460 0.000 0.000 0.318 515 C C -0.491 174.349 174.990 -0.250 0.000 1.222 515 C CA -0.644 58.251 59.018 -0.206 0.000 1.474 515 C CB 0.659 28.290 27.740 -0.182 0.000 2.125 515 C HN 0.976 nan 8.230 nan 0.000 0.479 516 R N 3.709 124.175 120.500 -0.057 0.000 2.562 516 R HA 0.575 4.916 4.340 0.000 0.000 0.298 516 R C -1.605 174.735 176.300 0.066 0.000 0.961 516 R CA -0.121 55.998 56.100 0.032 0.000 0.881 516 R CB 1.308 31.689 30.300 0.135 0.000 1.159 516 R HN 0.779 nan 8.270 nan 0.000 0.450 517 D N 3.166 123.602 120.400 0.059 0.000 2.346 517 D HA 0.244 4.885 4.640 0.000 0.000 0.255 517 D C 0.060 176.380 176.300 0.034 0.000 1.276 517 D CA -0.332 53.708 54.000 0.066 0.000 0.941 517 D CB 1.391 42.239 40.800 0.079 0.000 1.199 517 D HN 0.810 nan 8.370 nan 0.000 0.537 518 G N 1.206 110.024 108.800 0.030 0.000 3.233 518 G HA2 -0.009 3.951 3.960 0.000 0.000 0.227 518 G HA3 -0.009 3.951 3.960 0.000 0.000 0.227 518 G C 1.174 176.064 174.900 -0.016 0.000 1.175 518 G CA 0.491 45.601 45.100 0.016 0.000 0.781 518 G HN 0.417 nan 8.290 nan 0.000 0.542 519 S N -0.976 114.699 115.700 -0.042 0.000 2.441 519 S HA 0.375 4.845 4.470 0.000 0.000 0.224 519 S C 1.682 176.250 174.600 -0.053 0.000 1.043 519 S CA 1.008 59.164 58.200 -0.074 0.000 0.948 519 S CB 0.113 63.237 63.200 -0.126 0.000 0.810 519 S HN 1.339 nan 8.310 nan 0.000 0.504 520 G N 0.927 109.706 108.800 -0.035 0.000 2.173 520 G HA2 -0.167 3.793 3.960 0.000 0.000 0.174 520 G HA3 -0.167 3.793 3.960 0.000 0.000 0.174 520 G C 0.152 175.038 174.900 -0.025 0.000 1.025 520 G CA 0.110 45.195 45.100 -0.025 0.000 0.706 520 G HN 0.497 nan 8.290 nan 0.000 0.499 521 Q N -0.554 119.233 119.800 -0.022 0.000 2.247 521 Q HA 0.247 4.587 4.340 0.000 0.000 0.204 521 Q C 1.249 177.264 176.000 0.025 0.000 0.872 521 Q CA 0.057 55.846 55.803 -0.023 0.000 0.951 521 Q CB 0.328 29.028 28.738 -0.064 0.000 1.099 521 Q HN 0.404 nan 8.270 nan 0.000 0.501 522 N N 1.400 120.136 118.700 0.061 0.000 2.725 522 N HA -0.189 4.551 4.740 0.000 0.000 0.249 522 N C -0.980 174.693 175.510 0.272 0.000 1.103 522 N CA 0.317 53.460 53.050 0.155 0.000 0.707 522 N CB -0.966 37.585 38.487 0.106 0.000 1.043 522 N HN 0.258 nan 8.380 nan 0.000 0.553 523 N N 0.606 119.396 118.700 0.150 0.000 2.518 523 N HA 0.247 4.988 4.740 0.000 0.000 0.266 523 N C -0.448 175.173 175.510 0.185 0.000 1.196 523 N CA 0.236 53.327 53.050 0.069 0.000 0.947 523 N CB 0.305 38.779 38.487 -0.021 0.000 1.098 523 N HN 0.348 nan 8.380 nan 0.000 0.450 524 Y N -0.295 120.079 120.300 0.123 0.000 2.633 524 Y HA 0.859 5.409 4.550 0.000 0.000 0.339 524 Y C -0.783 175.148 175.900 0.052 0.000 1.045 524 Y CA -1.608 56.463 58.100 -0.049 0.000 1.098 524 Y CB 0.723 38.904 38.460 -0.465 0.000 1.296 524 Y HN 0.460 nan 8.280 nan 0.000 0.494 525 A N 0.866 123.717 122.820 0.051 0.000 2.386 525 A HA 0.617 4.937 4.320 0.000 0.000 0.311 525 A C -1.733 175.749 177.584 -0.169 0.000 1.068 525 A CA -0.776 51.179 52.037 -0.137 0.000 0.743 525 A CB 1.102 19.765 19.000 -0.562 0.000 1.258 525 A HN 0.737 nan 8.150 nan 0.000 0.429 526 D N 1.435 121.715 120.400 -0.199 0.000 2.381 526 D HA 0.484 5.124 4.640 0.000 0.000 0.235 526 D C -1.411 174.848 176.300 -0.070 0.000 1.068 526 D CA 0.408 54.381 54.000 -0.045 0.000 0.832 526 D CB 1.007 41.817 40.800 0.017 0.000 1.101 526 D HN 0.314 nan 8.370 nan 0.000 0.515 527 F N 1.582 121.636 119.950 0.174 0.000 2.361 527 F HA 0.125 4.652 4.527 0.000 0.000 0.364 527 F C 1.629 177.608 175.800 0.299 0.000 1.120 527 F CA -0.746 57.371 58.000 0.196 0.000 1.102 527 F CB 1.387 40.467 39.000 0.133 0.000 1.183 527 F HN 0.178 nan 8.300 nan 0.000 0.476 528 D N 2.644 123.224 120.400 0.299 0.000 2.149 528 D HA -0.102 4.538 4.640 0.000 0.000 0.201 528 D C -0.289 176.183 176.300 0.287 0.000 0.972 528 D CA 1.528 55.545 54.000 0.028 0.000 0.835 528 D CB 0.243 40.911 40.800 -0.220 0.000 0.966 528 D HN 0.456 nan 8.370 nan 0.000 0.476 529 Y N -3.146 117.317 120.300 0.271 0.000 2.656 529 Y HA 0.525 5.076 4.550 0.000 0.000 0.334 529 Y C -1.895 174.182 175.900 0.295 0.000 1.179 529 Y CA -1.848 56.300 58.100 0.079 0.000 1.050 529 Y CB 0.567 38.999 38.460 -0.046 0.000 1.308 529 Y HN -0.215 nan 8.280 nan 0.000 0.456 530 F N 2.969 123.001 119.950 0.136 0.000 2.518 530 F HA 0.716 5.243 4.527 0.000 0.000 0.323 530 F C -1.771 174.238 175.800 0.348 0.000 1.129 530 F CA -1.181 57.003 58.000 0.306 0.000 0.920 530 F CB 1.655 40.927 39.000 0.454 0.000 1.160 530 F HN 0.784 nan 8.300 nan 0.000 0.440 531 L N 7.099 128.243 121.223 -0.133 0.000 2.346 531 L HA 0.566 4.906 4.340 0.000 0.000 0.276 531 L C -2.066 174.719 176.870 -0.141 0.000 1.006 531 L CA -0.900 53.926 54.840 -0.024 0.000 0.817 531 L CB 1.704 43.799 42.059 0.060 0.000 1.272 531 L HN 0.728 nan 8.230 nan 0.000 0.421 532 Y N 5.090 125.352 120.300 -0.064 0.000 2.386 532 Y HA 0.506 5.056 4.550 0.000 0.000 0.334 532 Y C -1.331 174.578 175.900 0.015 0.000 1.002 532 Y CA -0.759 57.309 58.100 -0.053 0.000 1.068 532 Y CB 1.321 39.750 38.460 -0.053 0.000 1.203 532 Y HN 0.513 nan 8.280 nan 0.000 0.443 533 K N 5.869 125.938 120.400 -0.551 0.000 2.601 533 K HA 0.176 4.496 4.320 0.000 0.000 0.249 533 K C -1.200 175.069 176.600 -0.551 0.000 0.966 533 K CA -0.606 55.431 56.287 -0.416 0.000 0.827 533 K CB 1.595 33.946 32.500 -0.249 0.000 1.178 533 K HN 0.914 nan 8.250 nan 0.000 0.437 534 E N 5.080 124.948 120.200 -0.554 0.000 2.414 534 E HA 0.059 4.409 4.350 0.000 0.000 0.263 534 E C -0.631 175.730 176.600 -0.399 0.000 1.000 534 E CA 0.079 56.141 56.400 -0.564 0.000 0.914 534 E CB 0.602 29.837 29.700 -0.775 0.000 0.948 534 E HN 0.435 nan 8.360 nan 0.000 0.444 535 L N 0.000 120.964 121.223 -0.431 0.000 2.949 535 L HA 0.000 4.340 4.340 0.000 0.000 0.249 535 L CA 0.000 54.540 54.840 -0.500 0.000 0.813 535 L CB 0.000 41.419 42.059 -1.067 0.000 0.961 535 L HN 0.000 nan 8.230 nan 0.000 0.502