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 2xcy_1_A DATA FIRST_RESID 1 DATA SEQUENCE INDPAKSAAP YHDEFPLFRS ANXASPDKLS TGIGFHSFRI PAVVRTTTGR DATA SEQUENCE ILAFAEGRRH TNQDFGDINL VYKRTKTTAN NGASPSDWEP LREVVGSGAG DATA SEQUENCE TWGNPTPVVD DDNTIYLFLS WNGATYSQNG KDVLPDGTVT KKIDSTWEGR DATA SEQUENCE RHLYLTESRD DGNTWSKPVD LTKELTPDGW AWDAVGPGNG IRLTTGELVI DATA SEQUENCE PAXGRNIIGR GAPGNRTWSV QRLSGAGAEG TIVQTPDGKL YRNDRPSQKG DATA SEQUENCE YRXVARGTLE GFGAFAPDAG LPDPACQGSV LRYNSDAPAR TIFLNSASGT DATA SEQUENCE SRRAXRVRIS YDADAKKFNY GRKLEDAKVS GAGHEGGYSS XTKTGDYKIG DATA SEQUENCE ALVESDFFND GTGKNSYRAI IWRRFNLSWI LNGPNN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 I HA 0.000 nan 4.170 nan 0.000 0.288 1 I C 0.000 175.984 176.117 -0.221 0.000 1.063 1 I CA 0.000 61.170 61.300 -0.216 0.000 1.566 1 I CB 0.000 37.927 38.000 -0.122 0.000 1.214 2 N N 3.567 122.168 118.700 -0.165 0.000 2.497 2 N HA 0.277 5.017 4.740 0.001 0.000 0.271 2 N C -0.842 174.585 175.510 -0.138 0.000 1.142 2 N CA 0.055 53.033 53.050 -0.120 0.000 0.965 2 N CB 0.718 39.162 38.487 -0.072 0.000 1.077 2 N HN 0.113 nan 8.380 nan 0.000 0.462 3 D N 2.046 122.394 120.400 -0.087 0.000 2.505 3 D HA 0.189 4.830 4.640 0.001 0.000 0.250 3 D C -1.747 174.564 176.300 0.018 0.000 1.164 3 D CA -2.249 51.740 54.000 -0.018 0.000 0.870 3 D CB 1.676 42.507 40.800 0.052 0.000 1.160 3 D HN 0.292 nan 8.370 nan 0.000 0.549 4 P HA -0.095 nan 4.420 nan 0.000 0.221 4 P C 1.075 178.400 177.300 0.042 0.000 1.145 4 P CA 0.481 63.597 63.100 0.027 0.000 0.795 4 P CB 0.295 32.011 31.700 0.026 0.000 0.775 5 A N 0.752 123.609 122.820 0.061 0.000 2.019 5 A HA -0.182 4.138 4.320 0.001 0.000 0.219 5 A C 2.353 179.982 177.584 0.075 0.000 1.164 5 A CA 1.565 53.646 52.037 0.073 0.000 0.644 5 A CB -1.120 17.927 19.000 0.079 0.000 0.805 5 A HN 0.161 nan 8.150 nan 0.000 0.449 6 K N 0.406 120.844 120.400 0.064 0.000 2.209 6 K HA -0.126 4.195 4.320 0.001 0.000 0.204 6 K C 2.063 178.693 176.600 0.050 0.000 1.048 6 K CA 1.476 57.797 56.287 0.056 0.000 0.940 6 K CB -0.112 32.410 32.500 0.038 0.000 0.729 6 K HN 0.660 nan 8.250 nan 0.000 0.451 7 S N -0.201 115.525 115.700 0.044 0.000 2.496 7 S HA 0.130 4.600 4.470 0.001 0.000 0.224 7 S C 0.843 175.472 174.600 0.049 0.000 0.996 7 S CA 0.045 58.268 58.200 0.038 0.000 0.927 7 S CB -0.019 63.197 63.200 0.026 0.000 0.774 7 S HN 0.282 nan 8.310 nan 0.000 0.524 8 A N 1.713 124.570 122.820 0.062 0.000 2.406 8 A HA 0.671 4.992 4.320 0.001 0.000 0.243 8 A C 0.662 178.306 177.584 0.100 0.000 1.082 8 A CA -0.052 52.030 52.037 0.075 0.000 0.786 8 A CB -0.401 18.650 19.000 0.084 0.000 1.029 8 A HN 0.923 nan 8.150 nan 0.000 0.495 9 A N 2.627 125.512 122.820 0.108 0.000 2.492 9 A HA 0.517 4.837 4.320 0.001 0.000 0.254 9 A C -2.259 175.446 177.584 0.201 0.000 1.091 9 A CA -1.074 51.045 52.037 0.136 0.000 0.768 9 A CB -0.737 18.340 19.000 0.128 0.000 1.028 9 A HN 0.594 nan 8.150 nan 0.000 0.498 10 P HA 0.138 nan 4.420 nan 0.000 0.265 10 P C -0.999 176.534 177.300 0.388 0.000 1.193 10 P CA 0.690 63.990 63.100 0.333 0.000 0.765 10 P CB 0.109 32.000 31.700 0.318 0.000 0.823 11 Y N 3.591 124.067 120.300 0.294 0.000 2.406 11 Y HA 0.550 5.100 4.550 0.001 0.000 0.340 11 Y C -0.635 175.334 175.900 0.114 0.000 0.975 11 Y CA -0.735 57.463 58.100 0.163 0.000 1.056 11 Y CB 1.495 40.023 38.460 0.114 0.000 1.210 11 Y HN 0.626 nan 8.280 nan 0.000 0.448 12 H N 2.425 121.083 119.070 -0.686 0.000 3.038 12 H HA 0.719 5.276 4.556 0.001 0.000 0.362 12 H C -2.250 172.652 175.328 -0.709 0.000 1.167 12 H CA -0.874 54.757 56.048 -0.695 0.000 1.197 12 H CB 2.233 31.429 29.762 -0.942 0.000 1.840 12 H HN 0.514 nan 8.280 nan 0.000 0.540 13 D N 1.243 121.401 120.400 -0.403 0.000 2.655 13 D HA 0.295 4.935 4.640 0.001 0.000 0.229 13 D C -1.301 174.949 176.300 -0.084 0.000 1.229 13 D CA -0.399 53.480 54.000 -0.200 0.000 0.807 13 D CB 2.416 43.151 40.800 -0.108 0.000 1.514 13 D HN 0.783 nan 8.370 nan 0.000 0.444 14 E N 1.052 121.262 120.200 0.016 0.000 2.363 14 E HA 0.572 4.923 4.350 0.001 0.000 0.281 14 E C -1.317 175.347 176.600 0.106 0.000 0.953 14 E CA -0.828 55.517 56.400 -0.091 0.000 0.778 14 E CB 1.429 31.078 29.700 -0.085 0.000 1.220 14 E HN 0.371 nan 8.360 nan 0.000 0.431 15 F N -2.340 117.648 119.950 0.064 0.000 2.719 15 F HA 0.624 5.152 4.527 0.001 0.000 0.309 15 F C -3.085 172.749 175.800 0.056 0.000 1.138 15 F CA -2.434 55.603 58.000 0.061 0.000 0.943 15 F CB 0.963 40.007 39.000 0.073 0.000 1.304 15 F HN 0.043 nan 8.300 nan 0.000 0.445 16 P HA 0.160 nan 4.420 nan 0.000 0.267 16 P C 0.009 177.374 177.300 0.108 0.000 1.205 16 P CA 0.003 63.181 63.100 0.130 0.000 0.765 16 P CB 1.181 32.958 31.700 0.127 0.000 0.828 17 L N 3.324 124.504 121.223 -0.072 0.000 2.500 17 L HA 0.413 4.753 4.340 0.001 0.000 0.219 17 L C -0.105 176.361 176.870 -0.672 0.000 1.057 17 L CA 0.988 55.583 54.840 -0.409 0.000 0.854 17 L CB 0.005 41.654 42.059 -0.684 0.000 1.078 17 L HN 0.118 nan 8.230 nan 0.000 0.480 18 F N 1.318 121.080 119.950 -0.313 0.000 2.382 18 F HA 0.496 5.023 4.527 0.001 0.000 0.361 18 F C 0.143 175.801 175.800 -0.237 0.000 1.109 18 F CA -0.604 57.071 58.000 -0.543 0.000 1.031 18 F CB 0.813 39.369 39.000 -0.739 0.000 1.234 18 F HN -0.258 nan 8.300 nan 0.000 0.445 19 R N 1.973 122.444 120.500 -0.049 0.000 2.207 19 R HA 0.416 4.757 4.340 0.001 0.000 0.334 19 R C 0.152 176.679 176.300 0.379 0.000 1.013 19 R CA -0.530 55.666 56.100 0.160 0.000 0.858 19 R CB 1.175 31.512 30.300 0.063 0.000 1.094 19 R HN 0.694 nan 8.270 nan 0.000 0.457 20 S N 1.680 117.607 115.700 0.378 0.000 2.596 20 S HA 0.094 4.564 4.470 0.001 0.000 0.260 20 S C 1.444 176.051 174.600 0.012 0.000 1.336 20 S CA -0.287 58.079 58.200 0.277 0.000 0.993 20 S CB 1.231 64.563 63.200 0.221 0.000 0.923 20 S HN 0.699 nan 8.310 nan 0.000 0.567 21 A N 1.106 123.872 122.820 -0.089 0.000 2.070 21 A HA -0.053 4.268 4.320 0.001 0.000 0.220 21 A C 1.221 178.557 177.584 -0.414 0.000 1.159 21 A CA 1.086 53.025 52.037 -0.164 0.000 0.656 21 A CB -1.151 17.817 19.000 -0.054 0.000 0.800 21 A HN 0.939 nan 8.150 nan 0.000 0.453 25 S N 0.972 116.658 115.700 -0.023 0.000 3.484 25 S HA -0.107 4.364 4.470 0.001 0.000 0.384 25 S C -1.860 172.740 174.600 0.000 0.000 0.932 25 S CA 0.922 59.113 58.200 -0.015 0.000 1.293 25 S CB -1.587 61.601 63.200 -0.020 0.000 0.919 25 S HN 0.849 nan 8.310 nan 0.000 0.540 26 P HA 0.210 nan 4.420 nan 0.000 0.271 26 P C -0.351 177.011 177.300 0.103 0.000 1.218 26 P CA -0.144 62.993 63.100 0.063 0.000 0.780 26 P CB 0.560 32.287 31.700 0.044 0.000 0.901 27 D N 2.753 123.260 120.400 0.178 0.000 2.343 27 D HA 0.169 4.810 4.640 0.001 0.000 0.255 27 D C 0.236 176.746 176.300 0.350 0.000 1.187 27 D CA 0.525 54.621 54.000 0.160 0.000 0.875 27 D CB 0.932 41.704 40.800 -0.046 0.000 1.136 27 D HN 0.267 nan 8.370 nan 0.000 0.469 28 K N 1.730 122.263 120.400 0.222 0.000 2.435 28 K HA 0.453 4.773 4.320 0.001 0.000 0.251 28 K C -0.090 176.621 176.600 0.186 0.000 0.954 28 K CA -0.862 55.566 56.287 0.235 0.000 0.820 28 K CB 2.144 34.704 32.500 0.100 0.000 1.292 28 K HN 0.174 nan 8.250 nan 0.000 0.436 29 L N 1.237 122.589 121.223 0.215 0.000 2.473 29 L HA -0.003 4.338 4.340 0.001 0.000 0.268 29 L C 1.799 178.708 176.870 0.066 0.000 1.215 29 L CA 0.083 55.008 54.840 0.142 0.000 0.823 29 L CB 0.699 42.862 42.059 0.173 0.000 1.099 29 L HN 0.894 nan 8.230 nan 0.000 0.483 30 S N -1.517 114.208 115.700 0.043 0.000 2.440 30 S HA -0.171 4.299 4.470 0.001 0.000 0.238 30 S C 1.537 176.150 174.600 0.022 0.000 1.010 30 S CA 1.249 59.462 58.200 0.023 0.000 0.972 30 S CB -0.787 62.422 63.200 0.016 0.000 0.774 30 S HN 0.895 nan 8.310 nan 0.000 0.501 31 T N -2.694 111.877 114.554 0.029 0.000 3.118 31 T HA 0.437 4.788 4.350 0.001 0.000 0.260 31 T C 1.700 176.404 174.700 0.006 0.000 1.139 31 T CA 0.738 62.849 62.100 0.020 0.000 1.085 31 T CB -0.479 68.405 68.868 0.026 0.000 0.934 31 T HN 1.171 nan 8.240 nan 0.000 0.518 32 G N 1.204 110.007 108.800 0.005 0.000 2.195 32 G HA2 -0.190 3.771 3.960 0.001 0.000 0.246 32 G HA3 -0.190 3.771 3.960 0.001 0.000 0.246 32 G C 0.054 174.927 174.900 -0.045 0.000 0.984 32 G CA -0.126 44.968 45.100 -0.011 0.000 0.633 32 G HN 0.545 nan 8.290 nan 0.000 0.525 33 I N 2.350 122.882 120.570 -0.064 0.000 2.587 33 I HA 0.406 4.577 4.170 0.001 0.000 0.284 33 I C 1.340 177.262 176.117 -0.326 0.000 1.134 33 I CA 1.005 62.190 61.300 -0.192 0.000 1.410 33 I CB 0.264 38.157 38.000 -0.178 0.000 1.392 33 I HN 0.214 nan 8.210 nan 0.000 0.545 34 G N 6.254 114.786 108.800 -0.447 0.000 2.667 34 G HA2 0.747 4.707 3.960 0.001 0.000 0.310 34 G HA3 0.747 4.707 3.960 0.001 0.000 0.310 34 G C -1.454 172.918 174.900 -0.880 0.000 1.259 34 G CA -0.423 44.425 45.100 -0.421 0.000 1.019 34 G HN 0.338 nan 8.290 nan 0.000 0.496 35 F N -0.895 119.000 119.950 -0.092 0.000 2.573 35 F HA 0.333 4.861 4.527 0.001 0.000 0.316 35 F C 1.063 176.738 175.800 -0.208 0.000 1.148 35 F CA -0.825 57.010 58.000 -0.275 0.000 0.940 35 F CB 1.930 40.522 39.000 -0.680 0.000 1.214 35 F HN 0.660 nan 8.300 nan 0.000 0.448 36 H N 1.309 120.353 119.070 -0.044 0.000 2.319 36 H HA -0.031 4.525 4.556 0.001 0.000 0.297 36 H C -0.157 175.211 175.328 0.067 0.000 1.097 36 H CA 1.864 57.950 56.048 0.062 0.000 1.285 36 H CB 0.517 30.272 29.762 -0.012 0.000 1.368 36 H HN 0.461 nan 8.280 nan 0.000 0.495 37 S N -1.250 114.468 115.700 0.029 0.000 2.595 37 S HA 0.476 4.947 4.470 0.001 0.000 0.281 37 S C -1.491 172.869 174.600 -0.401 0.000 1.117 37 S CA -0.670 57.516 58.200 -0.023 0.000 0.873 37 S CB 1.965 65.260 63.200 0.159 0.000 1.108 37 S HN 0.191 nan 8.310 nan 0.000 0.477 38 F N 1.484 121.479 119.950 0.075 0.000 2.507 38 F HA 0.644 5.172 4.527 0.001 0.000 0.325 38 F C 0.692 176.441 175.800 -0.086 0.000 1.116 38 F CA -0.653 57.311 58.000 -0.060 0.000 0.930 38 F CB 1.516 40.475 39.000 -0.068 0.000 1.146 38 F HN 0.200 nan 8.300 nan 0.000 0.447 39 R N 2.329 122.827 120.500 -0.004 0.000 2.869 39 R HA 0.627 4.967 4.340 0.001 0.000 0.263 39 R C -1.131 175.088 176.300 -0.134 0.000 1.066 39 R CA -1.124 54.923 56.100 -0.088 0.000 0.960 39 R CB 2.134 32.345 30.300 -0.150 0.000 1.221 39 R HN 0.585 nan 8.270 nan 0.000 0.474 40 I N -0.262 120.205 120.570 -0.171 0.000 6.579 40 I HA -0.137 4.034 4.170 0.001 0.000 0.126 40 I C -2.358 173.756 176.117 -0.004 0.000 1.827 40 I CA -0.272 60.981 61.300 -0.078 0.000 2.040 40 I CB -2.315 35.639 38.000 -0.077 0.000 3.510 40 I HN 0.490 nan 8.210 nan 0.000 0.170 41 P HA 0.506 nan 4.420 nan 0.000 0.274 41 P C -0.257 177.112 177.300 0.114 0.000 1.231 41 P CA 0.004 63.113 63.100 0.016 0.000 0.790 41 P CB 2.025 33.754 31.700 0.048 0.000 0.951 42 A N 1.524 124.446 122.820 0.170 0.000 2.517 42 A HA 0.610 4.931 4.320 0.001 0.000 0.297 42 A C -1.575 176.235 177.584 0.376 0.000 1.050 42 A CA -0.694 51.490 52.037 0.246 0.000 0.694 42 A CB 1.818 20.933 19.000 0.192 0.000 1.277 42 A HN 0.398 nan 8.150 nan 0.000 0.400 43 V N 2.986 123.104 119.914 0.339 0.000 2.733 43 V HA 0.786 4.907 4.120 0.001 0.000 0.306 43 V C -1.093 175.197 176.094 0.326 0.000 1.084 43 V CA -0.168 62.345 62.300 0.355 0.000 0.905 43 V CB 2.001 34.036 31.823 0.353 0.000 1.010 43 V HN 1.778 nan 8.190 nan 0.000 0.424 44 V N 3.720 123.835 119.914 0.336 0.000 2.925 44 V HA 0.721 4.841 4.120 0.001 0.000 0.311 44 V C -0.590 175.630 176.094 0.210 0.000 1.104 44 V CA -1.102 61.359 62.300 0.268 0.000 0.954 44 V CB 1.864 33.861 31.823 0.289 0.000 1.022 44 V HN 1.023 nan 8.190 nan 0.000 0.427 45 R N 2.064 122.656 120.500 0.155 0.000 2.265 45 R HA 0.623 4.963 4.340 0.001 0.000 0.319 45 R C 0.410 176.758 176.300 0.080 0.000 1.006 45 R CA 0.277 56.434 56.100 0.096 0.000 0.880 45 R CB 1.440 31.777 30.300 0.061 0.000 1.077 45 R HN 1.149 nan 8.270 nan 0.000 0.454 46 T N 0.059 114.647 114.554 0.057 0.000 2.788 46 T HA 0.018 4.368 4.350 0.001 0.000 0.280 46 T C 1.544 176.252 174.700 0.014 0.000 0.984 46 T CA 0.031 62.157 62.100 0.044 0.000 0.972 46 T CB 1.268 70.150 68.868 0.025 0.000 1.039 46 T HN 0.717 nan 8.240 nan 0.000 0.530 47 T N -2.130 112.428 114.554 0.006 0.000 3.007 47 T HA -0.111 4.240 4.350 0.001 0.000 0.270 47 T C 1.918 176.605 174.700 -0.021 0.000 1.107 47 T CA 1.508 63.604 62.100 -0.007 0.000 1.118 47 T CB -1.354 67.511 68.868 -0.006 0.000 0.889 47 T HN 0.885 nan 8.240 nan 0.000 0.506 48 T N -2.322 112.216 114.554 -0.028 0.000 3.023 48 T HA 0.410 4.761 4.350 0.001 0.000 0.266 48 T C 1.998 176.670 174.700 -0.047 0.000 1.093 48 T CA 0.910 62.987 62.100 -0.038 0.000 1.129 48 T CB -0.485 68.357 68.868 -0.044 0.000 0.899 48 T HN 0.967 nan 8.240 nan 0.000 0.491 49 G N 1.142 109.915 108.800 -0.045 0.000 2.218 49 G HA2 -0.214 3.747 3.960 0.001 0.000 0.216 49 G HA3 -0.214 3.747 3.960 0.001 0.000 0.216 49 G C 0.182 175.041 174.900 -0.069 0.000 0.994 49 G CA -0.085 44.980 45.100 -0.059 0.000 0.637 49 G HN 0.761 nan 8.290 nan 0.000 0.505 50 R N 0.536 120.996 120.500 -0.067 0.000 2.679 50 R HA 0.515 4.856 4.340 0.001 0.000 0.268 50 R C 0.102 176.359 176.300 -0.071 0.000 1.044 50 R CA 0.040 56.083 56.100 -0.094 0.000 1.105 50 R CB 0.097 30.353 30.300 -0.073 0.000 0.989 50 R HN 0.298 nan 8.270 nan 0.000 0.447 51 I N 5.690 126.175 120.570 -0.142 0.000 2.354 51 I HA 0.236 4.407 4.170 0.001 0.000 0.292 51 I C -0.464 175.646 176.117 -0.012 0.000 0.989 51 I CA -0.653 60.605 61.300 -0.069 0.000 1.188 51 I CB 1.528 39.453 38.000 -0.125 0.000 1.342 51 I HN 0.390 nan 8.210 nan 0.000 0.457 52 L N 6.256 127.530 121.223 0.085 0.000 2.305 52 L HA 0.700 5.040 4.340 0.001 0.000 0.284 52 L C -0.004 176.836 176.870 -0.051 0.000 1.013 52 L CA -0.571 54.279 54.840 0.017 0.000 0.819 52 L CB 1.617 43.700 42.059 0.040 0.000 1.227 52 L HN 0.641 nan 8.230 nan 0.000 0.417 53 A N 3.995 126.763 122.820 -0.087 0.000 2.287 53 A HA 0.837 5.157 4.320 0.001 0.000 0.317 53 A C -1.027 176.494 177.584 -0.105 0.000 1.220 53 A CA -0.289 51.749 52.037 0.002 0.000 0.835 53 A CB 0.426 19.433 19.000 0.013 0.000 1.180 53 A HN 0.509 nan 8.150 nan 0.000 0.500 54 F N 1.234 121.267 119.950 0.138 0.000 2.507 54 F HA 0.812 5.340 4.527 0.001 0.000 0.327 54 F C 0.591 176.243 175.800 -0.248 0.000 1.068 54 F CA -0.150 57.856 58.000 0.010 0.000 0.965 54 F CB 2.398 41.373 39.000 -0.042 0.000 1.192 54 F HN 0.786 nan 8.300 nan 0.000 0.476 55 A N 0.731 123.468 122.820 -0.139 0.000 2.610 55 A HA 0.578 4.898 4.320 0.001 0.000 0.291 55 A C -1.455 176.049 177.584 -0.134 0.000 1.086 55 A CA -0.909 50.935 52.037 -0.321 0.000 0.677 55 A CB 1.170 19.616 19.000 -0.924 0.000 1.278 55 A HN 0.717 nan 8.150 nan 0.000 0.414 56 E N 0.544 120.680 120.200 -0.107 0.000 2.223 56 E HA 0.405 4.756 4.350 0.001 0.000 0.282 56 E C 0.288 176.808 176.600 -0.134 0.000 1.046 56 E CA -0.107 56.244 56.400 -0.081 0.000 0.857 56 E CB 1.181 30.842 29.700 -0.065 0.000 1.055 56 E HN 0.718 nan 8.360 nan 0.000 0.409 57 G N 4.096 112.737 108.800 -0.265 0.000 2.457 57 G HA2 0.127 4.087 3.960 0.001 0.000 0.316 57 G HA3 0.127 4.087 3.960 0.001 0.000 0.316 57 G C -0.113 174.641 174.900 -0.243 0.000 1.030 57 G CA -0.563 44.097 45.100 -0.733 0.000 1.073 57 G HN 0.419 nan 8.290 nan 0.000 0.430 58 R N 2.922 123.309 120.500 -0.188 0.000 2.205 58 R HA 0.202 4.542 4.340 0.001 0.000 0.342 58 R C 1.079 177.390 176.300 0.018 0.000 1.058 58 R CA -0.762 55.304 56.100 -0.056 0.000 0.904 58 R CB 1.284 31.517 30.300 -0.112 0.000 1.089 58 R HN 0.467 nan 8.270 nan 0.000 0.471 59 R N 1.241 121.730 120.500 -0.018 0.000 2.080 59 R HA -0.151 4.190 4.340 0.001 0.000 0.236 59 R C 1.099 177.148 176.300 -0.417 0.000 1.137 59 R CA 1.581 57.482 56.100 -0.333 0.000 0.943 59 R CB -0.003 29.869 30.300 -0.713 0.000 0.846 59 R HN 0.662 nan 8.270 nan 0.000 0.431 60 H N -1.456 117.589 119.070 -0.042 0.000 2.788 60 H HA 0.181 4.738 4.556 0.001 0.000 0.262 60 H C 0.936 176.093 175.328 -0.285 0.000 0.968 60 H CA 1.036 57.028 56.048 -0.093 0.000 1.218 60 H CB 0.848 30.553 29.762 -0.094 0.000 1.443 60 H HN 0.268 nan 8.280 nan 0.000 0.478 61 T N -0.742 113.628 114.554 -0.307 0.000 2.681 61 T HA 0.127 4.478 4.350 0.001 0.000 0.296 61 T C 0.415 174.846 174.700 -0.449 0.000 1.157 61 T CA -0.645 61.049 62.100 -0.677 0.000 1.025 61 T CB 1.546 70.150 68.868 -0.439 0.000 1.441 61 T HN 0.143 nan 8.240 nan 0.000 0.504 62 N N -0.643 117.829 118.700 -0.381 0.000 2.336 62 N HA 0.098 4.839 4.740 0.001 0.000 0.189 62 N C 0.224 175.597 175.510 -0.229 0.000 1.113 62 N CA -0.259 52.690 53.050 -0.168 0.000 0.858 62 N CB -0.393 38.063 38.487 -0.052 0.000 0.970 62 N HN 0.672 nan 8.380 nan 0.000 0.471 63 Q N 0.171 119.750 119.800 -0.367 0.000 2.421 63 Q HA 0.069 4.410 4.340 0.001 0.000 0.255 63 Q C 0.002 175.705 176.000 -0.494 0.000 1.013 63 Q CA -0.111 55.366 55.803 -0.543 0.000 0.895 63 Q CB 0.672 28.787 28.738 -1.038 0.000 1.271 63 Q HN 0.201 nan 8.270 nan 0.000 0.460 64 D N 0.440 120.610 120.400 -0.384 0.000 2.312 64 D HA -0.003 4.638 4.640 0.001 0.000 0.211 64 D C 0.049 176.320 176.300 -0.048 0.000 0.964 64 D CA 0.837 54.764 54.000 -0.122 0.000 0.877 64 D CB 0.004 40.847 40.800 0.071 0.000 0.924 64 D HN 0.324 nan 8.370 nan 0.000 0.515 65 F N -1.331 118.608 119.950 -0.018 0.000 2.613 65 F HA 0.737 5.264 4.527 0.001 0.000 0.342 65 F C 0.877 176.654 175.800 -0.038 0.000 1.066 65 F CA -0.797 57.185 58.000 -0.031 0.000 1.002 65 F CB 0.834 39.819 39.000 -0.024 0.000 1.319 65 F HN 0.021 nan 8.300 nan 0.000 0.495 66 G N 0.546 109.472 108.800 0.210 0.000 2.627 66 G HA2 -0.095 3.866 3.960 0.001 0.000 0.214 66 G HA3 -0.095 3.866 3.960 0.001 0.000 0.214 66 G C -1.541 173.388 174.900 0.049 0.000 1.331 66 G CA -0.431 44.742 45.100 0.121 0.000 0.891 66 G HN 1.050 nan 8.290 nan 0.000 0.539 67 D N 0.574 121.027 120.400 0.088 0.000 2.342 67 D HA 0.475 5.115 4.640 0.001 0.000 0.260 67 D C 0.339 176.672 176.300 0.054 0.000 1.278 67 D CA 0.379 54.431 54.000 0.087 0.000 0.910 67 D CB -0.249 40.627 40.800 0.127 0.000 1.079 67 D HN 0.555 nan 8.370 nan 0.000 0.496 68 I N 3.701 124.324 120.570 0.088 0.000 2.534 68 I HA 0.251 4.422 4.170 0.001 0.000 0.288 68 I C -0.372 175.873 176.117 0.212 0.000 1.077 68 I CA -0.992 60.368 61.300 0.100 0.000 1.051 68 I CB 1.809 39.824 38.000 0.026 0.000 1.234 68 I HN 0.152 nan 8.210 nan 0.000 0.425 69 N N 5.623 124.454 118.700 0.218 0.000 2.430 69 N HA 0.430 5.171 4.740 0.001 0.000 0.298 69 N C -1.093 174.468 175.510 0.086 0.000 1.130 69 N CA -0.622 52.559 53.050 0.219 0.000 0.894 69 N CB 2.348 41.012 38.487 0.297 0.000 1.209 69 N HN 0.361 nan 8.380 nan 0.000 0.503 70 L N 2.759 124.021 121.223 0.064 0.000 2.261 70 L HA 0.385 4.725 4.340 0.001 0.000 0.289 70 L C -0.370 176.517 176.870 0.029 0.000 1.059 70 L CA -0.494 54.356 54.840 0.017 0.000 0.816 70 L CB 0.086 42.128 42.059 -0.028 0.000 1.191 70 L HN 0.369 nan 8.230 nan 0.000 0.431 71 V N 4.039 123.982 119.914 0.050 0.000 3.096 71 V HA 0.769 4.890 4.120 0.001 0.000 0.319 71 V C -0.943 175.318 176.094 0.279 0.000 1.103 71 V CA -0.663 61.715 62.300 0.129 0.000 1.016 71 V CB 1.868 33.695 31.823 0.007 0.000 1.090 71 V HN 0.751 nan 8.190 nan 0.000 0.449 72 Y N -1.021 119.314 120.300 0.060 0.000 2.677 72 Y HA 0.842 5.393 4.550 0.001 0.000 0.334 72 Y C -1.226 174.675 175.900 0.002 0.000 1.196 72 Y CA -1.553 56.549 58.100 0.003 0.000 1.059 72 Y CB 1.413 39.703 38.460 -0.282 0.000 1.315 72 Y HN 0.737 nan 8.280 nan 0.000 0.455 73 K N 1.976 122.350 120.400 -0.043 0.000 2.469 73 K HA 0.652 4.973 4.320 0.001 0.000 0.254 73 K C -1.275 175.408 176.600 0.139 0.000 0.939 73 K CA -1.145 55.059 56.287 -0.139 0.000 0.812 73 K CB 3.048 35.373 32.500 -0.291 0.000 1.301 73 K HN 0.778 nan 8.250 nan 0.000 0.433 74 R N 0.341 120.915 120.500 0.123 0.000 2.787 74 R HA 0.337 4.678 4.340 0.001 0.000 0.271 74 R C -0.244 175.996 176.300 -0.099 0.000 0.993 74 R CA -0.951 55.202 56.100 0.088 0.000 0.993 74 R CB 1.372 31.714 30.300 0.070 0.000 1.155 74 R HN 0.702 nan 8.270 nan 0.000 0.486 75 T N -0.911 113.350 114.554 -0.488 0.000 2.940 75 T HA 0.060 4.411 4.350 0.001 0.000 0.309 75 T C 0.947 175.450 174.700 -0.328 0.000 1.056 75 T CA -0.440 61.238 62.100 -0.703 0.000 1.137 75 T CB 0.868 69.257 68.868 -0.799 0.000 0.976 75 T HN 0.506 nan 8.240 nan 0.000 0.547 76 K N 0.976 121.209 120.400 -0.278 0.000 2.147 76 K HA -0.027 4.293 4.320 0.001 0.000 0.205 76 K C 1.413 177.930 176.600 -0.138 0.000 1.049 76 K CA 1.437 57.628 56.287 -0.160 0.000 0.936 76 K CB -0.170 32.253 32.500 -0.129 0.000 0.722 76 K HN 0.915 nan 8.250 nan 0.000 0.446 77 T N -3.401 111.054 114.554 -0.165 0.000 2.888 77 T HA 0.146 4.497 4.350 0.001 0.000 0.288 77 T C 1.037 175.652 174.700 -0.143 0.000 1.063 77 T CA -0.546 61.477 62.100 -0.128 0.000 1.010 77 T CB 1.714 70.519 68.868 -0.106 0.000 1.214 77 T HN 0.086 nan 8.240 nan 0.000 0.533 78 T N -2.212 112.277 114.554 -0.107 0.000 3.118 78 T HA 0.295 4.645 4.350 0.001 0.000 0.260 78 T C 1.553 176.192 174.700 -0.101 0.000 1.139 78 T CA 0.464 62.504 62.100 -0.100 0.000 1.085 78 T CB -0.340 68.484 68.868 -0.074 0.000 0.934 78 T HN 0.884 nan 8.240 nan 0.000 0.518 79 A N 1.953 124.712 122.820 -0.101 0.000 2.419 79 A HA 0.275 4.595 4.320 0.001 0.000 0.233 79 A C 1.869 179.398 177.584 -0.091 0.000 1.217 79 A CA 0.277 52.262 52.037 -0.086 0.000 0.944 79 A CB -0.173 18.788 19.000 -0.064 0.000 1.025 79 A HN 0.583 nan 8.150 nan 0.000 0.524 80 N N 0.225 118.853 118.700 -0.121 0.000 2.463 80 N HA -0.097 4.643 4.740 0.001 0.000 0.181 80 N C 0.184 175.633 175.510 -0.101 0.000 1.078 80 N CA 0.852 53.834 53.050 -0.113 0.000 0.902 80 N CB -0.539 37.864 38.487 -0.139 0.000 0.970 80 N HN 0.270 nan 8.380 nan 0.000 0.451 81 N N -0.394 118.230 118.700 -0.126 0.000 2.708 81 N HA -0.165 4.576 4.740 0.001 0.000 0.251 81 N C 0.626 176.162 175.510 0.044 0.000 1.123 81 N CA 1.169 54.192 53.050 -0.046 0.000 0.739 81 N CB -1.727 36.760 38.487 0.000 0.000 1.113 81 N HN 0.739 nan 8.380 nan 0.000 0.561 82 G N -0.576 108.094 108.800 -0.217 0.000 2.283 82 G HA2 -0.242 3.719 3.960 0.001 0.000 0.280 82 G HA3 -0.242 3.719 3.960 0.001 0.000 0.280 82 G C 1.185 176.423 174.900 0.563 0.000 1.029 82 G CA 1.153 46.127 45.100 -0.210 0.000 0.840 82 G HN 0.975 nan 8.290 nan 0.000 0.505 83 A N -0.841 122.184 122.820 0.342 0.000 1.972 83 A HA 0.435 4.755 4.320 0.001 0.000 0.219 83 A C 1.798 179.703 177.584 0.535 0.000 1.169 83 A CA 2.217 54.509 52.037 0.425 0.000 0.635 83 A CB -0.111 19.026 19.000 0.228 0.000 0.810 83 A HN 2.138 nan 8.150 nan 0.000 0.446 84 S N -3.574 112.353 115.700 0.378 0.000 2.627 84 S HA 0.583 5.054 4.470 0.001 0.000 0.283 84 S C -2.552 171.965 174.600 -0.138 0.000 1.127 84 S CA -1.098 57.133 58.200 0.052 0.000 0.863 84 S CB 1.515 64.702 63.200 -0.023 0.000 1.121 84 S HN -0.095 nan 8.310 nan 0.000 0.479 85 P HA -0.135 nan 4.420 nan 0.000 0.216 85 P C 1.594 178.864 177.300 -0.050 0.000 1.150 85 P CA 2.016 64.854 63.100 -0.438 0.000 0.843 85 P CB -0.155 31.238 31.700 -0.512 0.000 0.787 86 S N -1.821 113.829 115.700 -0.083 0.000 2.555 86 S HA -0.095 4.376 4.470 0.001 0.000 0.230 86 S C 1.393 175.976 174.600 -0.029 0.000 0.978 86 S CA 0.871 59.045 58.200 -0.043 0.000 0.934 86 S CB -0.976 62.190 63.200 -0.057 0.000 0.766 86 S HN 0.071 nan 8.310 nan 0.000 0.533 87 D N 0.208 120.597 120.400 -0.018 0.000 2.355 87 D HA 0.128 4.769 4.640 0.001 0.000 0.218 87 D C -0.597 175.525 176.300 -0.296 0.000 1.004 87 D CA 0.307 54.214 54.000 -0.155 0.000 0.880 87 D CB 0.051 40.731 40.800 -0.199 0.000 0.911 87 D HN 0.557 nan 8.370 nan 0.000 0.528 88 W N 1.720 122.954 121.300 -0.110 0.000 2.520 88 W HA 0.297 4.957 4.660 0.001 0.000 0.323 88 W C 0.678 177.099 176.519 -0.164 0.000 1.062 88 W CA -0.870 56.378 57.345 -0.161 0.000 1.215 88 W CB 1.036 30.376 29.460 -0.200 0.000 1.340 88 W HN -0.306 nan 8.180 nan 0.000 0.516 89 E N 3.110 123.345 120.200 0.058 0.000 2.408 89 E HA 0.065 4.415 4.350 0.001 0.000 0.259 89 E C -1.899 174.667 176.600 -0.056 0.000 1.110 89 E CA -1.381 55.006 56.400 -0.022 0.000 0.929 89 E CB -0.019 29.647 29.700 -0.056 0.000 0.971 89 E HN -0.015 nan 8.360 nan 0.000 0.438 90 P HA -0.038 nan 4.420 nan 0.000 0.271 90 P C -0.592 176.607 177.300 -0.167 0.000 1.233 90 P CA -0.370 62.663 63.100 -0.112 0.000 0.789 90 P CB 0.384 32.040 31.700 -0.073 0.000 0.951 91 L N 2.099 123.221 121.223 -0.168 0.000 2.540 91 L HA 0.032 4.373 4.340 0.001 0.000 0.276 91 L C 0.620 177.390 176.870 -0.167 0.000 1.212 91 L CA 1.188 55.922 54.840 -0.177 0.000 0.893 91 L CB -0.283 41.743 42.059 -0.056 0.000 1.138 91 L HN 0.322 nan 8.230 nan 0.000 0.491 92 R N 3.045 123.347 120.500 -0.330 0.000 2.939 92 R HA 0.552 4.892 4.340 0.001 0.000 0.254 92 R C -1.130 175.097 176.300 -0.123 0.000 1.123 92 R CA -0.962 54.942 56.100 -0.327 0.000 1.020 92 R CB 1.484 31.368 30.300 -0.693 0.000 1.206 92 R HN 0.622 nan 8.270 nan 0.000 0.491 93 E N 0.319 120.583 120.200 0.107 0.000 2.210 93 E HA 0.200 4.550 4.350 0.001 0.000 0.266 93 E C -0.148 176.631 176.600 0.298 0.000 0.883 93 E CA -0.437 56.089 56.400 0.211 0.000 0.761 93 E CB 1.963 31.751 29.700 0.148 0.000 1.156 93 E HN 0.304 nan 8.360 nan 0.000 0.412 94 V N 3.772 123.763 119.914 0.129 0.000 2.331 94 V HA 0.053 4.173 4.120 0.001 0.000 0.242 94 V C 0.453 176.426 176.094 -0.202 0.000 1.034 94 V CA 0.749 62.924 62.300 -0.208 0.000 1.027 94 V CB 0.728 32.200 31.823 -0.585 0.000 0.667 94 V HN 0.505 nan 8.190 nan 0.000 0.457 95 V N -1.131 118.614 119.914 -0.282 0.000 2.891 95 V HA 0.769 4.890 4.120 0.001 0.000 0.304 95 V C 0.092 175.930 176.094 -0.426 0.000 1.171 95 V CA 0.397 62.393 62.300 -0.506 0.000 0.943 95 V CB 1.794 32.987 31.823 -1.050 0.000 1.037 95 V HN 0.266 nan 8.190 nan 0.000 0.427 96 G N 2.884 111.514 108.800 -0.283 0.000 4.596 96 G HA2 0.239 4.199 3.960 0.001 0.000 0.276 96 G HA3 0.239 4.199 3.960 0.001 0.000 0.276 96 G C 0.231 175.205 174.900 0.122 0.000 1.013 96 G CA 0.489 45.586 45.100 -0.006 0.000 0.778 96 G HN 1.268 nan 8.290 nan 0.000 0.389 97 S N 0.625 116.364 115.700 0.065 0.000 2.549 97 S HA 0.551 5.022 4.470 0.001 0.000 0.286 97 S C 1.038 175.876 174.600 0.396 0.000 1.314 97 S CA 0.458 58.781 58.200 0.205 0.000 1.062 97 S CB 1.236 64.517 63.200 0.135 0.000 0.865 97 S HN 1.893 nan 8.310 nan 0.000 0.498 98 G N 1.887 110.842 108.800 0.258 0.000 2.693 98 G HA2 0.221 4.181 3.960 0.001 0.000 0.226 98 G HA3 0.221 4.181 3.960 0.001 0.000 0.226 98 G C 0.269 175.305 174.900 0.227 0.000 1.354 98 G CA -0.173 45.074 45.100 0.245 0.000 0.873 98 G HN 1.998 nan 8.290 nan 0.000 0.562 99 A N -0.186 122.743 122.820 0.181 0.000 2.564 99 A HA 0.758 5.079 4.320 0.001 0.000 0.279 99 A C 1.337 178.972 177.584 0.086 0.000 1.232 99 A CA 1.290 53.411 52.037 0.139 0.000 0.950 99 A CB -0.213 18.855 19.000 0.113 0.000 1.138 99 A HN 2.216 nan 8.150 nan 0.000 0.526 100 G N -0.699 108.138 108.800 0.062 0.000 2.508 100 G HA2 0.440 4.400 3.960 0.001 0.000 0.278 100 G HA3 0.440 4.400 3.960 0.001 0.000 0.278 100 G C -0.282 174.484 174.900 -0.223 0.000 1.389 100 G CA -0.069 44.925 45.100 -0.178 0.000 1.050 100 G HN 0.123 nan 8.290 nan 0.000 0.522 101 T N 0.576 114.813 114.554 -0.527 0.000 2.756 101 T HA 0.313 4.664 4.350 0.001 0.000 0.290 101 T C -1.282 173.171 174.700 -0.412 0.000 0.985 101 T CA 0.082 61.982 62.100 -0.334 0.000 0.955 101 T CB 0.544 69.251 68.868 -0.268 0.000 0.930 101 T HN 0.366 nan 8.240 nan 0.000 0.451 102 W N 2.583 123.880 121.300 -0.006 0.000 2.329 102 W HA 0.632 5.292 4.660 0.001 0.000 0.312 102 W C 0.669 177.183 176.519 -0.008 0.000 1.054 102 W CA -0.305 57.066 57.345 0.045 0.000 1.245 102 W CB 1.506 30.992 29.460 0.044 0.000 1.255 102 W HN 0.951 nan 8.180 nan 0.000 0.436 103 G N 1.301 110.218 108.800 0.195 0.000 2.677 103 G HA2 0.244 4.205 3.960 0.001 0.000 0.283 103 G HA3 0.244 4.205 3.960 0.001 0.000 0.283 103 G C -0.479 174.470 174.900 0.081 0.000 1.221 103 G CA -0.997 44.165 45.100 0.103 0.000 0.851 103 G HN 0.274 nan 8.290 nan 0.000 0.504 104 N N 0.750 119.487 118.700 0.061 0.000 2.714 104 N HA -0.116 4.625 4.740 0.001 0.000 0.253 104 N C -2.582 172.956 175.510 0.046 0.000 1.024 104 N CA 0.921 54.013 53.050 0.070 0.000 0.726 104 N CB -0.736 37.788 38.487 0.063 0.000 0.908 104 N HN 0.418 nan 8.380 nan 0.000 0.542 105 P HA 0.010 nan 4.420 nan 0.000 0.262 105 P C -0.606 176.662 177.300 -0.054 0.000 1.199 105 P CA 0.646 63.695 63.100 -0.086 0.000 0.763 105 P CB 0.727 32.355 31.700 -0.119 0.000 0.790 106 T N 5.552 120.073 114.554 -0.055 0.000 3.133 106 T HA 0.328 4.679 4.350 0.001 0.000 0.368 106 T C -2.506 172.218 174.700 0.041 0.000 1.190 106 T CA -1.434 60.678 62.100 0.020 0.000 1.282 106 T CB 1.030 69.931 68.868 0.055 0.000 1.042 106 T HN 0.336 nan 8.240 nan 0.000 0.536 107 P HA 0.605 nan 4.420 nan 0.000 0.284 107 P C -0.854 176.556 177.300 0.185 0.000 1.258 107 P CA -0.704 62.412 63.100 0.027 0.000 0.824 107 P CB 1.920 33.571 31.700 -0.082 0.000 1.038 108 V N 2.433 122.511 119.914 0.273 0.000 2.851 108 V HA 0.277 4.398 4.120 0.001 0.000 0.307 108 V C -1.084 175.193 176.094 0.305 0.000 1.129 108 V CA -0.874 61.600 62.300 0.291 0.000 0.932 108 V CB 2.496 34.511 31.823 0.321 0.000 1.024 108 V HN 0.197 nan 8.190 nan 0.000 0.426 109 V N 5.830 125.883 119.914 0.232 0.000 2.383 109 V HA 0.434 4.555 4.120 0.001 0.000 0.275 109 V C 0.152 176.345 176.094 0.165 0.000 1.036 109 V CA -0.284 62.119 62.300 0.173 0.000 0.889 109 V CB 1.296 33.199 31.823 0.133 0.000 0.985 109 V HN 0.916 nan 8.190 nan 0.000 0.459 110 D N 2.675 123.157 120.400 0.137 0.000 2.387 110 D HA 0.157 4.797 4.640 0.001 0.000 0.251 110 D C 0.824 177.163 176.300 0.064 0.000 1.141 110 D CA -0.512 53.568 54.000 0.133 0.000 0.987 110 D CB 1.488 42.381 40.800 0.155 0.000 1.116 110 D HN 0.530 nan 8.370 nan 0.000 0.491 111 D N -0.335 120.100 120.400 0.059 0.000 2.182 111 D HA -0.165 4.476 4.640 0.001 0.000 0.201 111 D C 1.062 177.368 176.300 0.009 0.000 0.986 111 D CA 0.959 54.979 54.000 0.033 0.000 0.847 111 D CB -0.076 40.742 40.800 0.030 0.000 0.942 111 D HN 0.514 nan 8.370 nan 0.000 0.467 112 D N -0.749 119.649 120.400 -0.004 0.000 2.340 112 D HA -0.053 4.588 4.640 0.001 0.000 0.220 112 D C 0.403 176.677 176.300 -0.044 0.000 1.039 112 D CA -0.030 53.955 54.000 -0.025 0.000 0.866 112 D CB -0.304 40.475 40.800 -0.034 0.000 0.913 112 D HN -0.044 nan 8.370 nan 0.000 0.523 113 N N -0.765 117.913 118.700 -0.036 0.000 2.878 113 N HA -0.164 4.576 4.740 0.001 0.000 0.247 113 N C -0.976 174.474 175.510 -0.101 0.000 1.021 113 N CA 1.107 54.127 53.050 -0.050 0.000 0.873 113 N CB -2.002 36.455 38.487 -0.050 0.000 1.128 113 N HN 0.189 nan 8.380 nan 0.000 0.571 114 T N 1.244 115.712 114.554 -0.143 0.000 2.829 114 T HA 0.229 4.579 4.350 0.001 0.000 0.293 114 T C 0.645 175.202 174.700 -0.238 0.000 0.970 114 T CA 0.189 62.131 62.100 -0.263 0.000 1.168 114 T CB 0.172 68.798 68.868 -0.402 0.000 0.911 114 T HN 0.161 nan 8.240 nan 0.000 0.535 115 I N 4.715 125.162 120.570 -0.206 0.000 2.297 115 I HA 0.254 4.424 4.170 0.001 0.000 0.291 115 I C -0.215 175.926 176.117 0.041 0.000 1.033 115 I CA -0.526 60.768 61.300 -0.011 0.000 1.253 115 I CB 0.231 38.306 38.000 0.125 0.000 1.396 115 I HN 0.505 nan 8.210 nan 0.000 0.476 116 Y N 6.339 126.755 120.300 0.193 0.000 2.299 116 Y HA 0.513 5.063 4.550 0.001 0.000 0.326 116 Y C -0.112 175.846 175.900 0.096 0.000 1.164 116 Y CA -0.590 57.596 58.100 0.144 0.000 1.234 116 Y CB 1.169 39.742 38.460 0.188 0.000 1.219 116 Y HN 0.385 nan 8.280 nan 0.000 0.497 117 L N 4.782 126.085 121.223 0.132 0.000 2.415 117 L HA 0.514 4.855 4.340 0.001 0.000 0.268 117 L C -1.675 175.082 176.870 -0.188 0.000 0.984 117 L CA -0.595 54.181 54.840 -0.106 0.000 0.853 117 L CB 0.047 41.870 42.059 -0.393 0.000 1.215 117 L HN 0.369 nan 8.230 nan 0.000 0.419 118 F N 5.101 124.994 119.950 -0.095 0.000 2.399 118 F HA 0.590 5.117 4.527 0.001 0.000 0.342 118 F C 0.125 175.889 175.800 -0.060 0.000 1.106 118 F CA 0.106 58.047 58.000 -0.098 0.000 1.196 118 F CB 0.932 39.838 39.000 -0.156 0.000 1.163 118 F HN 0.275 nan 8.300 nan 0.000 0.547 119 L N 1.485 122.823 121.223 0.193 0.000 2.424 119 L HA 0.478 4.818 4.340 0.001 0.000 0.258 119 L C -0.655 176.355 176.870 0.233 0.000 0.995 119 L CA -0.794 54.159 54.840 0.189 0.000 0.821 119 L CB 2.402 44.604 42.059 0.237 0.000 1.383 119 L HN 0.437 nan 8.230 nan 0.000 0.410 120 S N 0.016 115.815 115.700 0.165 0.000 2.608 120 S HA 0.597 5.068 4.470 0.001 0.000 0.291 120 S C -1.513 173.171 174.600 0.140 0.000 1.146 120 S CA -0.450 57.815 58.200 0.108 0.000 1.043 120 S CB 1.591 64.760 63.200 -0.053 0.000 1.037 120 S HN 0.542 nan 8.310 nan 0.000 0.520 121 W N 3.578 124.798 121.300 -0.134 0.000 3.032 121 W HA 0.582 5.243 4.660 0.001 0.000 0.335 121 W C -1.386 174.941 176.519 -0.320 0.000 1.154 121 W CA -0.460 56.650 57.345 -0.392 0.000 1.204 121 W CB 1.109 30.122 29.460 -0.744 0.000 1.416 121 W HN 0.797 nan 8.180 nan 0.000 0.521 122 N N 3.066 120.952 118.700 -1.357 0.000 2.525 122 N HA 0.582 5.322 4.740 0.001 0.000 0.270 122 N C -0.457 173.815 175.510 -2.064 0.000 1.321 122 N CA -0.857 51.322 53.050 -1.451 0.000 0.797 122 N CB 1.479 39.624 38.487 -0.570 0.000 1.529 122 N HN 0.639 nan 8.380 nan 0.000 0.491 123 G N -0.904 107.059 108.800 -1.395 0.000 2.636 123 G HA2 0.383 4.344 3.960 0.001 0.000 0.246 123 G HA3 0.383 4.344 3.960 0.001 0.000 0.246 123 G C 1.034 175.780 174.900 -0.257 0.000 1.216 123 G CA 0.007 44.708 45.100 -0.665 0.000 0.854 123 G HN 0.757 nan 8.290 nan 0.000 0.572 124 A N -0.182 122.589 122.820 -0.081 0.000 2.019 124 A HA -0.002 4.318 4.320 0.001 0.000 0.219 124 A C 2.207 179.775 177.584 -0.027 0.000 1.164 124 A CA 2.323 54.343 52.037 -0.029 0.000 0.644 124 A CB -0.457 18.561 19.000 0.030 0.000 0.805 124 A HN 1.103 nan 8.150 nan 0.000 0.449 125 T N -4.676 109.845 114.554 -0.055 0.000 3.129 125 T HA 0.468 4.819 4.350 0.001 0.000 0.267 125 T C -0.189 174.263 174.700 -0.412 0.000 1.018 125 T CA -0.434 61.539 62.100 -0.212 0.000 0.903 125 T CB -0.432 68.274 68.868 -0.269 0.000 1.067 125 T HN 0.233 nan 8.240 nan 0.000 0.549 126 Y N 1.890 122.112 120.300 -0.130 0.000 2.468 126 Y HA 0.659 5.209 4.550 0.001 0.000 0.342 126 Y C 0.422 176.237 175.900 -0.141 0.000 1.021 126 Y CA -0.846 57.174 58.100 -0.134 0.000 1.079 126 Y CB 2.304 40.689 38.460 -0.124 0.000 1.226 126 Y HN 0.313 nan 8.280 nan 0.000 0.460 127 S N 0.430 116.121 115.700 -0.015 0.000 2.588 127 S HA 0.238 4.708 4.470 0.001 0.000 0.275 127 S C 0.306 174.897 174.600 -0.015 0.000 1.130 127 S CA -0.969 57.178 58.200 -0.087 0.000 0.855 127 S CB 1.986 64.804 63.200 -0.637 0.000 1.116 127 S HN 0.820 nan 8.310 nan 0.000 0.472 128 Q N 0.956 120.755 119.800 -0.003 0.000 2.096 128 Q HA -0.214 4.126 4.340 0.001 0.000 0.208 128 Q C 0.996 176.872 176.000 -0.207 0.000 0.993 128 Q CA 2.329 58.001 55.803 -0.218 0.000 0.862 128 Q CB -0.228 28.062 28.738 -0.746 0.000 0.915 128 Q HN 0.756 nan 8.270 nan 0.000 0.416 129 N N -0.811 117.767 118.700 -0.203 0.000 2.405 129 N HA 0.117 4.858 4.740 0.001 0.000 0.175 129 N C 0.345 175.762 175.510 -0.154 0.000 1.051 129 N CA 1.019 53.964 53.050 -0.175 0.000 0.899 129 N CB 0.668 39.059 38.487 -0.161 0.000 1.000 129 N HN 0.374 nan 8.380 nan 0.000 0.451 130 G N 1.755 110.440 108.800 -0.192 0.000 2.819 130 G HA2 -0.249 3.711 3.960 0.001 0.000 0.682 130 G HA3 -0.249 3.711 3.960 0.001 0.000 0.682 130 G C -0.224 174.552 174.900 -0.206 0.000 1.481 130 G CA -0.093 44.895 45.100 -0.187 0.000 0.904 130 G HN 0.106 nan 8.290 nan 0.000 0.563 131 K N -1.070 119.211 120.400 -0.199 0.000 3.281 131 K HA -0.144 4.177 4.320 0.001 0.000 0.295 131 K C 0.068 176.556 176.600 -0.188 0.000 1.233 131 K CA 1.733 57.921 56.287 -0.165 0.000 0.866 131 K CB -1.560 30.869 32.500 -0.118 0.000 1.265 131 K HN 0.815 nan 8.250 nan 0.000 0.482 132 D N 0.616 120.836 120.400 -0.300 0.000 2.255 132 D HA 0.256 4.896 4.640 0.001 0.000 0.249 132 D C 0.254 176.442 176.300 -0.188 0.000 1.078 132 D CA -0.404 53.411 54.000 -0.308 0.000 0.896 132 D CB 1.550 41.869 40.800 -0.802 0.000 1.194 132 D HN -0.229 nan 8.370 nan 0.000 0.429 133 V N 3.349 123.235 119.914 -0.048 0.000 2.432 133 V HA 0.167 4.288 4.120 0.001 0.000 0.271 133 V C 0.800 176.935 176.094 0.068 0.000 1.046 133 V CA -0.528 61.764 62.300 -0.013 0.000 0.945 133 V CB 0.687 32.500 31.823 -0.016 0.000 0.992 133 V HN 0.305 nan 8.190 nan 0.000 0.471 134 L N 6.681 127.928 121.223 0.041 0.000 2.456 134 L HA 0.271 4.612 4.340 0.001 0.000 0.257 134 L C -1.054 175.815 176.870 -0.001 0.000 1.162 134 L CA -1.415 53.465 54.840 0.067 0.000 0.808 134 L CB 0.475 42.556 42.059 0.036 0.000 1.136 134 L HN 0.399 nan 8.230 nan 0.000 0.466 135 P HA -0.195 nan 4.420 nan 0.000 0.216 135 P C 0.539 177.782 177.300 -0.094 0.000 1.150 135 P CA 1.252 64.292 63.100 -0.100 0.000 0.843 135 P CB -0.020 31.550 31.700 -0.217 0.000 0.787 136 D N -2.156 118.192 120.400 -0.086 0.000 2.336 136 D HA 0.076 4.716 4.640 0.001 0.000 0.229 136 D C 1.409 177.678 176.300 -0.052 0.000 1.061 136 D CA 0.669 54.626 54.000 -0.071 0.000 0.875 136 D CB -0.855 39.906 40.800 -0.065 0.000 0.904 136 D HN 0.264 nan 8.370 nan 0.000 0.525 137 G N -0.595 108.177 108.800 -0.047 0.000 2.217 137 G HA2 -0.273 3.687 3.960 0.001 0.000 0.246 137 G HA3 -0.273 3.687 3.960 0.001 0.000 0.246 137 G C 0.511 175.383 174.900 -0.045 0.000 0.990 137 G CA 0.207 45.281 45.100 -0.042 0.000 0.627 137 G HN 0.467 nan 8.290 nan 0.000 0.522 138 T N 1.269 115.795 114.554 -0.048 0.000 2.934 138 T HA 0.391 4.741 4.350 0.001 0.000 0.306 138 T C 0.589 175.245 174.700 -0.074 0.000 1.042 138 T CA 0.411 62.475 62.100 -0.060 0.000 1.145 138 T CB 2.019 70.851 68.868 -0.060 0.000 0.982 138 T HN 0.525 nan 8.240 nan 0.000 0.544 139 V N 4.604 124.462 119.914 -0.094 0.000 2.407 139 V HA 0.333 4.453 4.120 0.001 0.000 0.278 139 V C 1.031 177.023 176.094 -0.169 0.000 1.037 139 V CA -0.935 61.293 62.300 -0.120 0.000 0.900 139 V CB 1.361 33.122 31.823 -0.105 0.000 0.983 139 V HN 1.132 nan 8.190 nan 0.000 0.459 140 T N 2.919 117.339 114.554 -0.223 0.000 2.898 140 T HA 0.387 4.738 4.350 0.001 0.000 0.301 140 T C -0.170 174.365 174.700 -0.276 0.000 1.049 140 T CA -0.638 61.290 62.100 -0.287 0.000 1.095 140 T CB 0.655 69.296 68.868 -0.379 0.000 0.976 140 T HN 0.575 nan 8.240 nan 0.000 0.539 141 K N 0.961 121.145 120.400 -0.360 0.000 2.118 141 K HA 0.317 4.637 4.320 0.001 0.000 0.264 141 K C 0.189 176.729 176.600 -0.100 0.000 1.000 141 K CA -0.864 55.262 56.287 -0.267 0.000 0.929 141 K CB 1.022 33.272 32.500 -0.415 0.000 1.021 141 K HN 0.593 nan 8.250 nan 0.000 0.463 142 K N 2.336 122.734 120.400 -0.005 0.000 2.350 142 K HA 0.105 4.426 4.320 0.001 0.000 0.279 142 K C -0.231 176.495 176.600 0.209 0.000 1.027 142 K CA -0.261 56.056 56.287 0.050 0.000 0.969 142 K CB 0.383 32.885 32.500 0.004 0.000 0.954 142 K HN 0.444 nan 8.250 nan 0.000 0.474 143 I N 4.747 125.435 120.570 0.198 0.000 2.826 143 I HA -0.186 3.985 4.170 0.001 0.000 0.295 143 I C 0.376 176.559 176.117 0.109 0.000 1.213 143 I CA 0.694 62.096 61.300 0.170 0.000 1.436 143 I CB 0.186 38.328 38.000 0.236 0.000 1.348 143 I HN 0.799 nan 8.210 nan 0.000 0.570 144 D N 2.558 122.985 120.400 0.044 0.000 2.758 144 D HA 0.241 4.881 4.640 0.001 0.000 0.279 144 D C 0.310 176.630 176.300 0.033 0.000 1.111 144 D CA -0.466 53.566 54.000 0.052 0.000 1.109 144 D CB 0.650 41.498 40.800 0.081 0.000 1.428 144 D HN 0.319 nan 8.370 nan 0.000 0.586 145 S N -1.906 113.827 115.700 0.056 0.000 2.593 145 S HA 0.132 4.603 4.470 0.001 0.000 0.217 145 S C 0.846 175.497 174.600 0.086 0.000 0.966 145 S CA 0.157 58.401 58.200 0.075 0.000 0.914 145 S CB -1.273 61.978 63.200 0.085 0.000 0.776 145 S HN 0.759 nan 8.310 nan 0.000 0.523 146 T N -2.148 112.451 114.554 0.075 0.000 2.860 146 T HA 0.097 4.447 4.350 0.001 0.000 0.299 146 T C 0.757 175.561 174.700 0.173 0.000 1.045 146 T CA -0.719 61.455 62.100 0.123 0.000 1.071 146 T CB 0.363 69.300 68.868 0.115 0.000 0.985 146 T HN 0.509 nan 8.240 nan 0.000 0.537 147 W N 1.470 122.793 121.300 0.038 0.000 2.335 147 W HA -0.189 4.472 4.660 0.001 0.000 0.311 147 W C 1.525 178.169 176.519 0.209 0.000 1.213 147 W CA 1.743 59.144 57.345 0.092 0.000 1.274 147 W CB -0.078 29.433 29.460 0.085 0.000 1.148 147 W HN 0.843 nan 8.180 nan 0.000 0.498 148 E N -0.556 119.732 120.200 0.147 0.000 2.152 148 E HA -0.061 4.290 4.350 0.001 0.000 0.192 148 E C 2.204 178.624 176.600 -0.299 0.000 0.983 148 E CA 1.546 57.955 56.400 0.015 0.000 0.818 148 E CB -0.865 28.924 29.700 0.148 0.000 0.758 148 E HN 0.302 nan 8.360 nan 0.000 0.467 149 G N 0.543 109.068 108.800 -0.458 0.000 3.044 149 G HA2 -0.010 3.950 3.960 0.001 0.000 0.223 149 G HA3 -0.010 3.950 3.960 0.001 0.000 0.223 149 G C 0.385 174.955 174.900 -0.549 0.000 1.123 149 G CA -0.405 44.013 45.100 -1.137 0.000 0.765 149 G HN 0.137 nan 8.290 nan 0.000 0.546 150 R N -0.051 120.319 120.500 -0.217 0.000 2.546 150 R HA 0.545 4.886 4.340 0.001 0.000 0.266 150 R C -0.522 175.753 176.300 -0.042 0.000 1.086 150 R CA -0.802 55.243 56.100 -0.092 0.000 1.160 150 R CB 0.890 31.157 30.300 -0.055 0.000 1.138 150 R HN -0.207 nan 8.270 nan 0.000 0.567 151 R N 1.517 121.973 120.500 -0.073 0.000 2.298 151 R HA 0.189 4.530 4.340 0.001 0.000 0.310 151 R C -0.193 176.095 176.300 -0.021 0.000 1.068 151 R CA -0.207 55.826 56.100 -0.111 0.000 0.957 151 R CB 0.597 30.662 30.300 -0.390 0.000 1.003 151 R HN 0.669 nan 8.270 nan 0.000 0.454 152 H N 1.658 120.712 119.070 -0.028 0.000 2.525 152 H HA 0.304 4.860 4.556 0.001 0.000 0.340 152 H C -0.492 174.844 175.328 0.013 0.000 1.168 152 H CA -0.891 55.134 56.048 -0.038 0.000 1.247 152 H CB 2.222 31.970 29.762 -0.023 0.000 1.568 152 H HN 0.150 nan 8.280 nan 0.000 0.536 153 L N 2.481 123.722 121.223 0.030 0.000 2.325 153 L HA 0.299 4.640 4.340 0.001 0.000 0.281 153 L C -1.673 175.199 176.870 0.004 0.000 1.004 153 L CA -0.355 54.522 54.840 0.061 0.000 0.823 153 L CB 0.524 42.578 42.059 -0.009 0.000 1.236 153 L HN 0.439 nan 8.230 nan 0.000 0.415 154 Y N 4.380 124.746 120.300 0.110 0.000 2.509 154 Y HA 0.701 5.251 4.550 0.001 0.000 0.341 154 Y C -0.841 175.033 175.900 -0.044 0.000 1.038 154 Y CA -0.632 57.521 58.100 0.089 0.000 1.089 154 Y CB 2.214 40.822 38.460 0.246 0.000 1.241 154 Y HN 0.537 nan 8.280 nan 0.000 0.468 155 L N 2.128 123.365 121.223 0.023 0.000 2.381 155 L HA 0.650 4.991 4.340 0.001 0.000 0.274 155 L C -0.531 176.313 176.870 -0.042 0.000 0.988 155 L CA -0.074 54.613 54.840 -0.255 0.000 0.824 155 L CB 1.863 43.589 42.059 -0.555 0.000 1.263 155 L HN 0.661 nan 8.230 nan 0.000 0.410 156 T N 3.458 117.995 114.554 -0.029 0.000 2.942 156 T HA 0.830 5.181 4.350 0.001 0.000 0.289 156 T C -1.256 173.581 174.700 0.228 0.000 1.044 156 T CA -0.400 61.764 62.100 0.106 0.000 1.023 156 T CB 1.149 70.076 68.868 0.099 0.000 1.123 156 T HN 0.788 nan 8.240 nan 0.000 0.512 157 E N 0.841 121.201 120.200 0.268 0.000 2.413 157 E HA 0.519 4.869 4.350 0.001 0.000 0.277 157 E C -1.564 174.953 176.600 -0.138 0.000 0.958 157 E CA -0.849 55.642 56.400 0.152 0.000 0.779 157 E CB 1.560 31.229 29.700 -0.051 0.000 1.278 157 E HN 0.436 nan 8.360 nan 0.000 0.456 158 S N 0.175 115.524 115.700 -0.585 0.000 2.473 158 S HA 0.464 4.935 4.470 0.001 0.000 0.307 158 S C 0.047 174.360 174.600 -0.478 0.000 1.094 158 S CA -0.683 57.007 58.200 -0.851 0.000 1.070 158 S CB 0.717 62.925 63.200 -1.653 0.000 1.019 158 S HN 0.452 nan 8.310 nan 0.000 0.480 159 R N 2.389 122.681 120.500 -0.348 0.000 2.362 159 R HA 0.192 4.532 4.340 0.001 0.000 0.227 159 R C -0.530 175.648 176.300 -0.202 0.000 0.905 159 R CA 0.163 56.124 56.100 -0.233 0.000 1.067 159 R CB -0.236 29.966 30.300 -0.164 0.000 1.078 159 R HN 0.741 nan 8.270 nan 0.000 0.516 160 D N -0.676 119.576 120.400 -0.246 0.000 2.891 160 D HA 0.098 4.738 4.640 0.001 0.000 0.332 160 D C -0.382 175.813 176.300 -0.175 0.000 1.369 160 D CA -0.647 53.245 54.000 -0.179 0.000 0.827 160 D CB 0.133 40.845 40.800 -0.148 0.000 1.141 160 D HN -0.204 nan 8.370 nan 0.000 0.464 161 D N 0.171 120.462 120.400 -0.181 0.000 2.800 161 D HA -0.136 4.505 4.640 0.001 0.000 0.232 161 D C 1.362 177.593 176.300 -0.116 0.000 1.137 161 D CA 1.790 55.716 54.000 -0.123 0.000 0.718 161 D CB -1.277 39.476 40.800 -0.078 0.000 1.084 161 D HN 0.755 nan 8.370 nan 0.000 0.432 162 G N -0.554 108.084 108.800 -0.270 0.000 2.179 162 G HA2 -0.461 3.500 3.960 0.001 0.000 0.260 162 G HA3 -0.461 3.500 3.960 0.001 0.000 0.260 162 G C 1.010 175.859 174.900 -0.085 0.000 0.977 162 G CA 0.912 45.868 45.100 -0.240 0.000 0.641 162 G HN 0.580 nan 8.290 nan 0.000 0.533 163 N N 0.756 119.391 118.700 -0.110 0.000 2.084 163 N HA 0.033 4.774 4.740 0.001 0.000 0.190 163 N C 1.384 176.918 175.510 0.041 0.000 1.030 163 N CA 2.422 55.484 53.050 0.019 0.000 0.849 163 N CB -0.017 38.455 38.487 -0.024 0.000 1.012 163 N HN 0.923 nan 8.380 nan 0.000 0.423 164 T N -4.056 110.388 114.554 -0.182 0.000 2.901 164 T HA 0.597 4.948 4.350 0.001 0.000 0.293 164 T C -1.297 173.134 174.700 -0.449 0.000 1.084 164 T CA -0.859 61.172 62.100 -0.114 0.000 1.008 164 T CB 1.268 70.108 68.868 -0.047 0.000 1.170 164 T HN 0.145 nan 8.240 nan 0.000 0.509 165 W N 1.024 122.314 121.300 -0.018 0.000 2.915 165 W HA 0.583 5.244 4.660 0.001 0.000 0.337 165 W C 0.265 176.756 176.519 -0.047 0.000 1.102 165 W CA -0.761 56.552 57.345 -0.054 0.000 1.224 165 W CB 2.030 31.436 29.460 -0.089 0.000 1.416 165 W HN 0.983 nan 8.180 nan 0.000 0.503 166 S N 1.457 117.255 115.700 0.163 0.000 2.585 166 S HA 0.229 4.699 4.470 0.001 0.000 0.273 166 S C 0.089 174.734 174.600 0.075 0.000 1.339 166 S CA -0.789 57.467 58.200 0.092 0.000 1.028 166 S CB 1.002 64.245 63.200 0.071 0.000 0.906 166 S HN 0.477 nan 8.310 nan 0.000 0.528 167 K N 1.966 122.386 120.400 0.033 0.000 2.472 167 K HA 0.103 4.424 4.320 0.001 0.000 0.280 167 K C -2.449 174.157 176.600 0.010 0.000 1.028 167 K CA -1.214 55.065 56.287 -0.014 0.000 1.045 167 K CB -0.267 32.235 32.500 0.003 0.000 0.902 167 K HN 0.381 nan 8.250 nan 0.000 0.478 168 P HA -0.038 nan 4.420 nan 0.000 0.268 168 P C -1.086 176.404 177.300 0.317 0.000 1.204 168 P CA -0.283 62.866 63.100 0.083 0.000 0.768 168 P CB 0.748 32.399 31.700 -0.082 0.000 0.842 169 V N 3.530 123.613 119.914 0.281 0.000 2.439 169 V HA 0.155 4.275 4.120 0.001 0.000 0.282 169 V C 0.436 176.556 176.094 0.043 0.000 1.039 169 V CA -0.383 62.029 62.300 0.188 0.000 0.913 169 V CB 1.369 33.250 31.823 0.097 0.000 0.983 169 V HN 0.499 nan 8.190 nan 0.000 0.460 170 D N 4.272 124.561 120.400 -0.185 0.000 2.325 170 D HA 0.220 4.860 4.640 0.001 0.000 0.251 170 D C 0.344 176.504 176.300 -0.234 0.000 1.196 170 D CA 0.123 53.742 54.000 -0.635 0.000 0.866 170 D CB 1.165 41.648 40.800 -0.528 0.000 1.101 170 D HN 0.471 nan 8.370 nan 0.000 0.476 171 L N 3.251 124.342 121.223 -0.220 0.000 2.910 171 L HA 0.065 4.405 4.340 0.001 0.000 0.252 171 L C 1.951 178.772 176.870 -0.082 0.000 1.195 171 L CA -0.155 54.628 54.840 -0.094 0.000 1.003 171 L CB 0.235 42.247 42.059 -0.079 0.000 1.328 171 L HN 0.307 nan 8.230 nan 0.000 0.540 172 T N -0.324 114.171 114.554 -0.099 0.000 2.665 172 T HA -0.173 4.178 4.350 0.001 0.000 0.268 172 T C 1.915 176.583 174.700 -0.053 0.000 1.035 172 T CA 1.252 63.294 62.100 -0.097 0.000 1.151 172 T CB -0.019 68.739 68.868 -0.183 0.000 0.862 172 T HN 0.135 nan 8.240 nan 0.000 0.438 173 K N 1.006 121.415 120.400 0.014 0.000 2.209 173 K HA -0.012 4.309 4.320 0.001 0.000 0.204 173 K C 2.209 178.774 176.600 -0.058 0.000 1.048 173 K CA 1.150 57.419 56.287 -0.029 0.000 0.940 173 K CB -0.248 32.217 32.500 -0.058 0.000 0.729 173 K HN 0.424 nan 8.250 nan 0.000 0.451 174 E N -0.174 119.999 120.200 -0.045 0.000 2.140 174 E HA 0.094 4.445 4.350 0.001 0.000 0.191 174 E C 1.337 177.903 176.600 -0.057 0.000 0.973 174 E CA 0.592 56.972 56.400 -0.032 0.000 0.829 174 E CB 0.220 29.927 29.700 0.011 0.000 0.781 174 E HN 0.119 nan 8.360 nan 0.000 0.466 175 L N -0.173 120.996 121.223 -0.089 0.000 3.016 175 L HA 0.305 4.645 4.340 0.001 0.000 0.267 175 L C -0.255 176.482 176.870 -0.221 0.000 1.182 175 L CA -0.035 54.729 54.840 -0.127 0.000 0.997 175 L CB 0.929 42.925 42.059 -0.106 0.000 1.354 175 L HN -0.104 nan 8.230 nan 0.000 0.569 176 T N 0.530 114.929 114.554 -0.258 0.000 2.824 176 T HA 0.421 4.772 4.350 0.001 0.000 0.282 176 T C -2.565 171.827 174.700 -0.514 0.000 0.993 176 T CA -1.379 60.467 62.100 -0.422 0.000 0.967 176 T CB 2.207 70.901 68.868 -0.290 0.000 0.960 176 T HN -0.245 nan 8.240 nan 0.000 0.441 177 P HA 0.181 nan 4.420 nan 0.000 0.269 177 P C -0.371 176.669 177.300 -0.433 0.000 1.209 177 P CA -0.383 62.291 63.100 -0.709 0.000 0.776 177 P CB 0.403 31.499 31.700 -1.007 0.000 0.876 178 D N 1.254 121.551 120.400 -0.173 0.000 2.423 178 D HA 0.242 4.883 4.640 0.001 0.000 0.238 178 D C 1.652 178.009 176.300 0.095 0.000 1.142 178 D CA 1.583 55.564 54.000 -0.032 0.000 0.884 178 D CB 0.062 40.851 40.800 -0.018 0.000 1.199 178 D HN 0.656 nan 8.370 nan 0.000 0.438 179 G N 0.630 109.511 108.800 0.134 0.000 2.205 179 G HA2 -0.269 3.692 3.960 0.001 0.000 0.261 179 G HA3 -0.269 3.692 3.960 0.001 0.000 0.261 179 G C -0.052 175.021 174.900 0.289 0.000 0.980 179 G CA -0.065 45.146 45.100 0.185 0.000 0.632 179 G HN 0.379 nan 8.290 nan 0.000 0.533 180 W N 0.585 121.883 121.300 -0.003 0.000 2.170 180 W HA 0.679 5.340 4.660 0.001 0.000 0.336 180 W C 0.983 177.500 176.519 -0.004 0.000 1.283 180 W CA 0.342 57.685 57.345 -0.004 0.000 1.224 180 W CB 0.867 30.312 29.460 -0.026 0.000 1.132 180 W HN 0.363 nan 8.180 nan 0.000 0.571 181 A N 3.925 126.841 122.820 0.161 0.000 2.284 181 A HA 0.145 4.466 4.320 0.001 0.000 0.219 181 A C 0.193 177.860 177.584 0.138 0.000 2.353 181 A CA -0.280 51.826 52.037 0.115 0.000 1.164 181 A CB -0.884 18.169 19.000 0.089 0.000 1.293 181 A HN 0.679 nan 8.150 nan 0.000 0.586 182 W N 1.473 122.750 121.300 -0.038 0.000 2.170 182 W HA 0.428 5.089 4.660 0.001 0.000 0.342 182 W C -1.144 175.393 176.519 0.031 0.000 1.294 182 W CA 1.434 58.761 57.345 -0.029 0.000 1.246 182 W CB 0.686 30.102 29.460 -0.073 0.000 1.156 182 W HN 0.528 nan 8.180 nan 0.000 0.572 183 D N 2.316 122.222 120.400 -0.823 0.000 2.622 183 D HA 0.644 5.284 4.640 0.001 0.000 0.255 183 D C -1.884 174.004 176.300 -0.685 0.000 1.246 183 D CA -0.420 53.341 54.000 -0.398 0.000 0.795 183 D CB 1.671 42.437 40.800 -0.057 0.000 1.369 183 D HN 0.454 nan 8.370 nan 0.000 0.425 184 A N 0.776 123.464 122.820 -0.221 0.000 2.547 184 A HA 0.632 4.952 4.320 0.001 0.000 0.297 184 A C -1.665 175.902 177.584 -0.030 0.000 1.056 184 A CA -0.633 51.331 52.037 -0.123 0.000 0.688 184 A CB 1.639 20.664 19.000 0.042 0.000 1.282 184 A HN 0.509 nan 8.150 nan 0.000 0.400 185 V N 2.636 122.539 119.914 -0.020 0.000 2.581 185 V HA 0.719 4.839 4.120 0.001 0.000 0.303 185 V C 1.126 177.228 176.094 0.013 0.000 1.041 185 V CA 1.337 63.624 62.300 -0.021 0.000 0.907 185 V CB 1.048 32.856 31.823 -0.025 0.000 0.994 185 V HN 2.738 nan 8.190 nan 0.000 0.442 186 G N 7.653 116.454 108.800 0.002 0.000 2.672 186 G HA2 -0.224 3.737 3.960 0.001 0.000 0.324 186 G HA3 -0.224 3.737 3.960 0.001 0.000 0.324 186 G C -2.355 172.581 174.900 0.060 0.000 1.286 186 G CA 0.349 45.469 45.100 0.032 0.000 1.004 186 G HN 0.854 nan 8.290 nan 0.000 0.548 187 P HA 0.544 nan 4.420 nan 0.000 0.282 187 P C 0.619 177.976 177.300 0.095 0.000 1.259 187 P CA 1.246 64.410 63.100 0.107 0.000 0.826 187 P CB 1.546 33.351 31.700 0.175 0.000 1.064 188 G N 0.876 109.732 108.800 0.093 0.000 2.535 188 G HA2 -0.023 3.938 3.960 0.001 0.000 0.095 188 G HA3 -0.023 3.938 3.960 0.001 0.000 0.095 188 G C -0.705 174.260 174.900 0.110 0.000 2.409 188 G CA 0.092 45.255 45.100 0.104 0.000 1.254 188 G HN 0.927 nan 8.290 nan 0.000 0.367 189 N N 0.505 119.267 118.700 0.104 0.000 2.935 189 N HA 0.521 5.261 4.740 0.001 0.000 0.248 189 N C -0.102 175.474 175.510 0.111 0.000 1.276 189 N CA 0.200 53.321 53.050 0.120 0.000 0.906 189 N CB 1.156 39.732 38.487 0.148 0.000 1.564 189 N HN 1.061 nan 8.380 nan 0.000 0.500 190 G N -0.109 108.766 108.800 0.126 0.000 2.613 190 G HA2 0.763 4.723 3.960 0.001 0.000 0.303 190 G HA3 0.763 4.723 3.960 0.001 0.000 0.303 190 G C -0.070 174.922 174.900 0.153 0.000 1.312 190 G CA -0.969 44.205 45.100 0.124 0.000 1.036 190 G HN 0.829 nan 8.290 nan 0.000 0.513 191 I N -3.196 117.467 120.570 0.154 0.000 3.074 191 I HA 0.739 4.910 4.170 0.001 0.000 0.310 191 I C -0.901 175.310 176.117 0.156 0.000 1.153 191 I CA -1.393 59.999 61.300 0.153 0.000 0.993 191 I CB 2.633 40.719 38.000 0.145 0.000 1.237 191 I HN 0.356 nan 8.210 nan 0.000 0.443 192 R N 4.030 124.613 120.500 0.138 0.000 2.343 192 R HA 0.600 4.940 4.340 0.001 0.000 0.320 192 R C -1.401 174.958 176.300 0.099 0.000 0.956 192 R CA -0.697 55.477 56.100 0.124 0.000 0.836 192 R CB 1.376 31.747 30.300 0.119 0.000 1.151 192 R HN 0.815 nan 8.270 nan 0.000 0.450 193 L N 2.741 124.018 121.223 0.090 0.000 2.439 193 L HA 0.181 4.521 4.340 0.001 0.000 0.261 193 L C 2.098 179.003 176.870 0.059 0.000 1.153 193 L CA -0.252 54.633 54.840 0.075 0.000 0.808 193 L CB 0.997 43.098 42.059 0.070 0.000 1.126 193 L HN 0.768 nan 8.230 nan 0.000 0.460 194 T N -3.699 110.884 114.554 0.050 0.000 2.778 194 T HA -0.194 4.157 4.350 0.001 0.000 0.269 194 T C 1.441 176.161 174.700 0.033 0.000 1.050 194 T CA 1.736 63.859 62.100 0.039 0.000 1.137 194 T CB -0.702 68.185 68.868 0.033 0.000 0.860 194 T HN 0.839 nan 8.240 nan 0.000 0.468 195 T N -2.162 112.413 114.554 0.033 0.000 3.113 195 T HA 0.489 4.839 4.350 0.001 0.000 0.256 195 T C 1.862 176.579 174.700 0.028 0.000 1.131 195 T CA 0.548 62.664 62.100 0.027 0.000 1.074 195 T CB -0.188 68.694 68.868 0.024 0.000 0.944 195 T HN 0.916 nan 8.240 nan 0.000 0.516 196 G N 0.709 109.531 108.800 0.037 0.000 2.253 196 G HA2 -0.168 3.793 3.960 0.001 0.000 0.209 196 G HA3 -0.168 3.793 3.960 0.001 0.000 0.209 196 G C -0.209 174.717 174.900 0.042 0.000 0.997 196 G CA -0.309 44.813 45.100 0.036 0.000 0.640 196 G HN 0.584 nan 8.290 nan 0.000 0.496 197 E N 0.370 120.598 120.200 0.047 0.000 2.349 197 E HA 0.691 5.042 4.350 0.001 0.000 0.262 197 E C 0.563 177.217 176.600 0.091 0.000 1.088 197 E CA -0.305 56.127 56.400 0.053 0.000 0.899 197 E CB 1.013 30.744 29.700 0.052 0.000 1.044 197 E HN 0.361 nan 8.360 nan 0.000 0.420 198 L N 1.178 122.469 121.223 0.115 0.000 2.309 198 L HA 0.517 4.857 4.340 0.001 0.000 0.282 198 L C -0.846 176.130 176.870 0.177 0.000 1.036 198 L CA -1.098 53.852 54.840 0.183 0.000 0.806 198 L CB 1.123 43.355 42.059 0.289 0.000 1.220 198 L HN 0.217 nan 8.230 nan 0.000 0.429 199 V N 4.182 124.189 119.914 0.154 0.000 2.483 199 V HA 0.446 4.566 4.120 0.001 0.000 0.297 199 V C -0.373 175.760 176.094 0.066 0.000 1.027 199 V CA -0.383 61.985 62.300 0.114 0.000 0.855 199 V CB 1.943 33.845 31.823 0.131 0.000 0.995 199 V HN 0.461 nan 8.190 nan 0.000 0.424 200 I N 7.652 128.197 120.570 -0.041 0.000 2.389 200 I HA 0.487 4.657 4.170 0.001 0.000 0.288 200 I C -2.350 173.679 176.117 -0.147 0.000 0.999 200 I CA -1.995 59.212 61.300 -0.155 0.000 1.129 200 I CB 2.293 39.991 38.000 -0.503 0.000 1.288 200 I HN 0.421 nan 8.210 nan 0.000 0.444 201 P HA 0.486 nan 4.420 nan 0.000 0.280 201 P C -0.966 176.286 177.300 -0.079 0.000 1.244 201 P CA -0.188 62.884 63.100 -0.048 0.000 0.784 201 P CB 1.801 33.509 31.700 0.014 0.000 0.913 205 R N -0.633 119.884 120.500 0.029 0.000 2.709 205 R HA 0.416 4.757 4.340 0.001 0.000 0.270 205 R C -2.208 174.048 176.300 -0.074 0.000 1.038 205 R CA -0.941 55.140 56.100 -0.031 0.000 0.872 205 R CB 0.236 30.501 30.300 -0.059 0.000 1.259 205 R HN -0.051 nan 8.270 nan 0.000 0.473 206 N N 1.081 119.732 118.700 -0.081 0.000 2.417 206 N HA 0.475 5.216 4.740 0.001 0.000 0.300 206 N C -0.654 174.808 175.510 -0.080 0.000 1.102 206 N CA -0.569 52.437 53.050 -0.074 0.000 0.886 206 N CB 1.627 40.100 38.487 -0.025 0.000 1.203 206 N HN 0.445 nan 8.380 nan 0.000 0.496 207 I N 2.432 122.920 120.570 -0.136 0.000 2.336 207 I HA 0.298 4.468 4.170 0.001 0.000 0.292 207 I C -0.174 175.942 176.117 -0.001 0.000 0.991 207 I CA -0.565 60.650 61.300 -0.142 0.000 1.227 207 I CB 0.923 38.671 38.000 -0.420 0.000 1.366 207 I HN 0.167 nan 8.210 nan 0.000 0.466 208 I N 5.343 125.984 120.570 0.118 0.000 2.404 208 I HA 0.430 4.600 4.170 0.001 0.000 0.293 208 I C 0.590 176.876 176.117 0.281 0.000 0.992 208 I CA -0.446 60.956 61.300 0.170 0.000 1.149 208 I CB 1.256 39.321 38.000 0.107 0.000 1.315 208 I HN 0.572 nan 8.210 nan 0.000 0.446 209 G N 6.481 115.421 108.800 0.234 0.000 2.368 209 G HA2 0.685 4.645 3.960 0.001 0.000 0.320 209 G HA3 0.685 4.645 3.960 0.001 0.000 0.320 209 G C -0.267 174.545 174.900 -0.145 0.000 1.158 209 G CA -0.555 44.462 45.100 -0.138 0.000 0.912 209 G HN 0.541 nan 8.290 nan 0.000 0.456 210 R N 0.817 121.187 120.500 -0.216 0.000 2.892 210 R HA 0.810 5.150 4.340 0.001 0.000 0.265 210 R C 0.521 176.726 176.300 -0.159 0.000 1.025 210 R CA 0.219 56.242 56.100 -0.129 0.000 0.982 210 R CB 2.107 32.364 30.300 -0.072 0.000 1.185 210 R HN 1.130 nan 8.270 nan 0.000 0.484 211 G N 0.406 109.150 108.800 -0.093 0.000 2.508 211 G HA2 -0.115 3.846 3.960 0.001 0.000 0.220 211 G HA3 -0.115 3.846 3.960 0.001 0.000 0.220 211 G C -0.808 174.054 174.900 -0.064 0.000 1.287 211 G CA -0.425 44.627 45.100 -0.080 0.000 0.916 211 G HN 0.794 nan 8.290 nan 0.000 0.574 212 A N 1.380 124.166 122.820 -0.055 0.000 2.488 212 A HA 0.629 4.950 4.320 0.001 0.000 0.249 212 A C -1.723 175.853 177.584 -0.012 0.000 1.083 212 A CA -0.133 51.887 52.037 -0.028 0.000 0.768 212 A CB -0.163 18.823 19.000 -0.024 0.000 1.017 212 A HN 0.564 nan 8.150 nan 0.000 0.496 213 P HA 0.184 nan 4.420 nan 0.000 0.261 213 P C 1.080 178.403 177.300 0.039 0.000 1.183 213 P CA 2.027 65.151 63.100 0.040 0.000 0.761 213 P CB 0.581 32.297 31.700 0.027 0.000 0.785 214 G N 2.821 111.679 108.800 0.096 0.000 2.162 214 G HA2 -0.283 3.678 3.960 0.001 0.000 0.260 214 G HA3 -0.283 3.678 3.960 0.001 0.000 0.260 214 G C 0.537 175.505 174.900 0.114 0.000 0.976 214 G CA 0.320 45.424 45.100 0.006 0.000 0.655 214 G HN 0.649 nan 8.290 nan 0.000 0.533 215 N N -0.451 118.316 118.700 0.112 0.000 2.622 215 N HA 0.191 4.932 4.740 0.001 0.000 0.293 215 N C 0.370 175.840 175.510 -0.067 0.000 1.788 215 N CA -0.472 52.607 53.050 0.048 0.000 0.860 215 N CB 0.267 38.760 38.487 0.010 0.000 1.388 215 N HN 0.237 nan 8.380 nan 0.000 0.496 216 R N -0.112 120.276 120.500 -0.186 0.000 2.490 216 R HA 0.346 4.686 4.340 0.001 0.000 0.278 216 R C -0.228 175.645 176.300 -0.712 0.000 1.069 216 R CA -0.095 55.676 56.100 -0.548 0.000 1.080 216 R CB 0.291 29.969 30.300 -1.036 0.000 1.030 216 R HN 0.147 nan 8.270 nan 0.000 0.491 217 T N 2.578 116.808 114.554 -0.541 0.000 2.771 217 T HA 0.286 4.636 4.350 0.001 0.000 0.291 217 T C -0.323 174.111 174.700 -0.443 0.000 0.954 217 T CA -0.284 61.582 62.100 -0.390 0.000 1.045 217 T CB 0.382 69.146 68.868 -0.173 0.000 0.917 217 T HN 0.343 nan 8.240 nan 0.000 0.484 218 W N 2.241 123.541 121.300 0.000 0.000 2.496 218 W HA 0.577 5.237 4.660 0.001 0.000 0.327 218 W C 0.573 177.083 176.519 -0.014 0.000 1.086 218 W CA -0.737 56.606 57.345 -0.003 0.000 1.222 218 W CB 1.118 30.592 29.460 0.023 0.000 1.304 218 W HN 0.706 nan 8.180 nan 0.000 0.547 219 S N 0.026 115.866 115.700 0.233 0.000 2.651 219 S HA 0.786 5.257 4.470 0.001 0.000 0.279 219 S C -1.475 173.165 174.600 0.066 0.000 1.148 219 S CA -1.052 57.215 58.200 0.111 0.000 0.837 219 S CB 1.447 64.686 63.200 0.065 0.000 1.138 219 S HN 0.222 nan 8.310 nan 0.000 0.478 220 V N 1.778 121.699 119.914 0.012 0.000 2.435 220 V HA 0.523 4.643 4.120 0.001 0.000 0.290 220 V C -0.192 175.897 176.094 -0.009 0.000 1.030 220 V CA -0.481 61.801 62.300 -0.030 0.000 0.881 220 V CB 1.292 33.063 31.823 -0.088 0.000 0.983 220 V HN 0.944 nan 8.190 nan 0.000 0.445 221 Q N 5.066 124.865 119.800 -0.002 0.000 2.400 221 Q HA 0.355 4.696 4.340 0.001 0.000 0.255 221 Q C -0.428 175.574 176.000 0.003 0.000 1.008 221 Q CA -0.833 54.985 55.803 0.025 0.000 0.841 221 Q CB 0.657 29.434 28.738 0.066 0.000 1.220 221 Q HN 0.581 nan 8.270 nan 0.000 0.474 222 R N 3.291 123.798 120.500 0.012 0.000 2.543 222 R HA 0.330 4.671 4.340 0.001 0.000 0.277 222 R C -0.397 175.927 176.300 0.040 0.000 1.074 222 R CA 0.087 56.200 56.100 0.022 0.000 1.076 222 R CB 0.143 30.463 30.300 0.033 0.000 0.993 222 R HN 0.621 nan 8.270 nan 0.000 0.459 223 L N 0.719 121.966 121.223 0.040 0.000 2.354 223 L HA 0.392 4.732 4.340 0.001 0.000 0.269 223 L C 0.023 176.948 176.870 0.091 0.000 1.005 223 L CA -0.756 54.118 54.840 0.057 0.000 0.819 223 L CB 2.199 44.263 42.059 0.009 0.000 1.311 223 L HN 0.457 nan 8.230 nan 0.000 0.423 224 S N 0.712 116.493 115.700 0.134 0.000 2.438 224 S HA 0.503 4.973 4.470 0.001 0.000 0.293 224 S C 0.776 175.461 174.600 0.142 0.000 1.141 224 S CA 0.167 58.437 58.200 0.116 0.000 1.080 224 S CB 1.302 64.571 63.200 0.114 0.000 0.978 224 S HN 1.041 nan 8.310 nan 0.000 0.479 225 G N 1.960 110.765 108.800 0.008 0.000 2.143 225 G HA2 -0.151 3.809 3.960 0.001 0.000 0.248 225 G HA3 -0.151 3.809 3.960 0.001 0.000 0.248 225 G C 0.227 174.804 174.900 -0.537 0.000 0.991 225 G CA -0.085 44.954 45.100 -0.101 0.000 0.689 225 G HN 1.106 nan 8.290 nan 0.000 0.522 226 A N -0.293 122.152 122.820 -0.626 0.000 2.332 226 A HA 0.798 5.118 4.320 0.001 0.000 0.258 226 A C 1.273 178.509 177.584 -0.580 0.000 1.087 226 A CA 0.838 52.242 52.037 -1.054 0.000 0.802 226 A CB 0.460 19.191 19.000 -0.449 0.000 1.042 226 A HN 1.702 nan 8.150 nan 0.000 0.489 227 G N -1.422 107.079 108.800 -0.499 0.000 2.563 227 G HA2 0.487 4.448 3.960 0.001 0.000 0.283 227 G HA3 0.487 4.448 3.960 0.001 0.000 0.283 227 G C 0.977 175.807 174.900 -0.118 0.000 1.309 227 G CA 0.216 45.171 45.100 -0.243 0.000 1.022 227 G HN 1.256 nan 8.290 nan 0.000 0.501 228 A N -1.022 121.771 122.820 -0.044 0.000 1.898 228 A HA 0.214 4.534 4.320 0.001 0.000 0.214 228 A C 1.107 178.726 177.584 0.059 0.000 1.183 228 A CA 0.829 52.896 52.037 0.049 0.000 0.622 228 A CB -0.098 18.981 19.000 0.132 0.000 0.824 228 A HN 0.590 nan 8.150 nan 0.000 0.444 229 E N 0.090 120.308 120.200 0.031 0.000 2.063 229 E HA 0.475 4.825 4.350 0.001 0.000 0.265 229 E C -0.207 176.389 176.600 -0.007 0.000 0.919 229 E CA -0.450 55.962 56.400 0.020 0.000 0.756 229 E CB 1.262 30.962 29.700 -0.001 0.000 1.120 229 E HN 0.417 nan 8.360 nan 0.000 0.414 230 G N 1.591 110.396 108.800 0.007 0.000 2.441 230 G HA2 0.536 4.497 3.960 0.001 0.000 0.334 230 G HA3 0.536 4.497 3.960 0.001 0.000 0.334 230 G C -0.266 174.667 174.900 0.055 0.000 1.161 230 G CA -0.420 44.695 45.100 0.026 0.000 0.935 230 G HN 0.358 nan 8.290 nan 0.000 0.488 231 T N -2.017 112.596 114.554 0.098 0.000 2.924 231 T HA 0.716 5.066 4.350 0.001 0.000 0.291 231 T C -0.869 173.933 174.700 0.170 0.000 1.045 231 T CA -0.716 61.468 62.100 0.139 0.000 1.015 231 T CB 1.946 70.932 68.868 0.196 0.000 1.103 231 T HN 0.603 nan 8.240 nan 0.000 0.496 232 I N 1.310 121.997 120.570 0.195 0.000 2.686 232 I HA 0.813 4.983 4.170 0.001 0.000 0.295 232 I C -1.464 174.817 176.117 0.273 0.000 1.114 232 I CA -0.800 60.639 61.300 0.232 0.000 1.038 232 I CB 1.997 40.103 38.000 0.177 0.000 1.238 232 I HN 0.752 nan 8.210 nan 0.000 0.420 233 V N 6.483 126.600 119.914 0.338 0.000 3.087 233 V HA 0.454 4.574 4.120 0.001 0.000 0.306 233 V C -1.070 175.162 176.094 0.229 0.000 1.187 233 V CA -0.493 61.968 62.300 0.269 0.000 0.999 233 V CB 2.251 34.230 31.823 0.261 0.000 1.049 233 V HN 0.812 nan 8.190 nan 0.000 0.431 234 Q N 2.528 122.420 119.800 0.153 0.000 2.322 234 Q HA 0.453 4.793 4.340 0.001 0.000 0.256 234 Q C -0.019 176.019 176.000 0.063 0.000 0.960 234 Q CA -0.444 55.425 55.803 0.109 0.000 0.934 234 Q CB 1.203 29.994 28.738 0.088 0.000 1.200 234 Q HN 0.949 nan 8.270 nan 0.000 0.435 235 T N 1.674 116.248 114.554 0.032 0.000 2.813 235 T HA 0.196 4.547 4.350 0.001 0.000 0.297 235 T C -1.899 172.793 174.700 -0.013 0.000 1.036 235 T CA -1.491 60.588 62.100 -0.034 0.000 1.044 235 T CB 0.541 69.363 68.868 -0.076 0.000 0.993 235 T HN 0.443 nan 8.240 nan 0.000 0.535 236 P HA -0.122 nan 4.420 nan 0.000 0.217 236 P C 1.072 178.372 177.300 0.000 0.000 1.148 236 P CA 1.177 64.276 63.100 -0.002 0.000 0.828 236 P CB -0.165 31.532 31.700 -0.005 0.000 0.783 237 D N -1.720 118.674 120.400 -0.010 0.000 2.378 237 D HA -0.002 4.639 4.640 0.001 0.000 0.227 237 D C 1.493 177.791 176.300 -0.004 0.000 1.012 237 D CA 0.990 54.986 54.000 -0.008 0.000 0.905 237 D CB -1.122 39.669 40.800 -0.015 0.000 0.895 237 D HN 0.256 nan 8.370 nan 0.000 0.532 238 G N -0.296 108.506 108.800 0.003 0.000 2.176 238 G HA2 -0.306 3.654 3.960 0.001 0.000 0.253 238 G HA3 -0.306 3.654 3.960 0.001 0.000 0.253 238 G C 0.341 175.242 174.900 0.001 0.000 0.979 238 G CA 0.292 45.397 45.100 0.008 0.000 0.641 238 G HN 0.485 nan 8.290 nan 0.000 0.530 239 K N -0.143 120.251 120.400 -0.010 0.000 2.102 239 K HA 0.665 4.986 4.320 0.001 0.000 0.244 239 K C 0.721 177.320 176.600 -0.002 0.000 1.021 239 K CA -0.468 55.797 56.287 -0.036 0.000 0.913 239 K CB 0.790 33.254 32.500 -0.060 0.000 1.062 239 K HN 0.214 nan 8.250 nan 0.000 0.485 240 L N 0.997 122.185 121.223 -0.058 0.000 2.375 240 L HA 0.401 4.742 4.340 0.001 0.000 0.268 240 L C -0.710 176.248 176.870 0.147 0.000 1.058 240 L CA -0.867 54.006 54.840 0.055 0.000 0.803 240 L CB 0.446 42.542 42.059 0.061 0.000 1.212 240 L HN 0.563 nan 8.230 nan 0.000 0.451 241 Y N 1.904 122.305 120.300 0.169 0.000 2.307 241 Y HA 0.398 4.949 4.550 0.001 0.000 0.323 241 Y C -0.906 175.142 175.900 0.247 0.000 1.100 241 Y CA -0.856 57.350 58.100 0.176 0.000 1.140 241 Y CB 0.907 39.438 38.460 0.117 0.000 1.159 241 Y HN 0.440 nan 8.280 nan 0.000 0.436 242 R N 4.486 124.985 120.500 -0.002 0.000 2.312 242 R HA 0.315 4.656 4.340 0.001 0.000 0.311 242 R C -1.043 175.103 176.300 -0.255 0.000 1.004 242 R CA -0.516 55.564 56.100 -0.033 0.000 0.902 242 R CB 1.341 31.660 30.300 0.032 0.000 1.073 242 R HN 0.750 nan 8.270 nan 0.000 0.457 243 N N 2.702 121.357 118.700 -0.076 0.000 2.573 243 N HA 0.156 4.896 4.740 0.001 0.000 0.262 243 N C -1.552 174.023 175.510 0.108 0.000 1.029 243 N CA -0.313 52.705 53.050 -0.053 0.000 0.882 243 N CB 0.974 39.463 38.487 0.004 0.000 1.204 243 N HN 0.345 nan 8.380 nan 0.000 0.519 244 D N 0.853 121.325 120.400 0.119 0.000 2.269 244 D HA 0.256 4.897 4.640 0.001 0.000 0.244 244 D C 0.199 176.518 176.300 0.032 0.000 0.992 244 D CA -0.392 53.645 54.000 0.062 0.000 0.894 244 D CB 1.865 42.651 40.800 -0.024 0.000 1.248 244 D HN 0.361 nan 8.370 nan 0.000 0.468 245 R N 2.226 122.723 120.500 -0.004 0.000 2.484 245 R HA 0.149 4.489 4.340 0.001 0.000 0.293 245 R C -2.158 174.122 176.300 -0.034 0.000 1.023 245 R CA -0.891 55.196 56.100 -0.022 0.000 1.037 245 R CB 0.259 30.525 30.300 -0.057 0.000 0.951 245 R HN 0.229 nan 8.270 nan 0.000 0.418 246 P HA -0.002 nan 4.420 nan 0.000 0.274 246 P C 0.031 177.306 177.300 -0.040 0.000 1.237 246 P CA -0.239 62.847 63.100 -0.025 0.000 0.793 246 P CB 1.367 33.070 31.700 0.004 0.000 0.977 247 S N 0.428 116.098 115.700 -0.050 0.000 2.423 247 S HA -0.076 4.395 4.470 0.001 0.000 0.231 247 S C 0.765 175.338 174.600 -0.044 0.000 1.014 247 S CA 0.601 58.769 58.200 -0.054 0.000 0.965 247 S CB -0.312 62.849 63.200 -0.065 0.000 0.785 247 S HN 0.473 nan 8.310 nan 0.000 0.495 248 Q N 0.944 120.724 119.800 -0.033 0.000 2.387 248 Q HA 0.463 4.804 4.340 0.001 0.000 0.273 248 Q C -0.994 174.986 176.000 -0.034 0.000 1.089 248 Q CA -0.653 55.131 55.803 -0.031 0.000 0.824 248 Q CB 1.552 30.277 28.738 -0.023 0.000 1.367 248 Q HN 0.306 nan 8.270 nan 0.000 0.443 249 K N 0.263 120.636 120.400 -0.045 0.000 2.527 249 K HA 0.231 4.551 4.320 0.001 0.000 0.278 249 K C 0.594 177.132 176.600 -0.104 0.000 0.981 249 K CA 1.068 57.312 56.287 -0.072 0.000 1.009 249 K CB 0.184 32.641 32.500 -0.071 0.000 0.895 249 K HN 0.904 nan 8.250 nan 0.000 0.493 250 G N 1.793 110.477 108.800 -0.193 0.000 2.467 250 G HA2 -0.032 3.928 3.960 0.001 0.000 0.103 250 G HA3 -0.032 3.928 3.960 0.001 0.000 0.103 250 G C -1.486 172.963 174.900 -0.751 0.000 1.456 250 G CA -0.559 44.303 45.100 -0.397 0.000 1.071 250 G HN 0.497 nan 8.290 nan 0.000 0.307 251 Y N 1.235 121.536 120.300 0.003 0.000 2.562 251 Y HA 0.776 5.326 4.550 0.001 0.000 0.345 251 Y C 0.570 176.473 175.900 0.005 0.000 1.045 251 Y CA -1.285 56.818 58.100 0.004 0.000 1.028 251 Y CB 1.228 39.691 38.460 0.003 0.000 1.297 251 Y HN 0.293 nan 8.280 nan 0.000 0.463 255 A N 4.641 127.046 122.820 -0.692 0.000 2.498 255 A HA 1.007 5.327 4.320 0.001 0.000 0.298 255 A C -0.830 176.622 177.584 -0.219 0.000 1.075 255 A CA -0.826 50.815 52.037 -0.660 0.000 0.714 255 A CB 2.150 20.283 19.000 -1.445 0.000 1.299 255 A HN 0.804 nan 8.150 nan 0.000 0.407 256 R N -0.016 120.423 120.500 -0.101 0.000 2.740 256 R HA 0.786 5.126 4.340 0.001 0.000 0.282 256 R C 0.159 176.184 176.300 -0.457 0.000 0.969 256 R CA -0.162 55.857 56.100 -0.135 0.000 0.918 256 R CB 2.455 32.723 30.300 -0.053 0.000 1.175 256 R HN 1.205 nan 8.270 nan 0.000 0.464 257 G N -0.160 108.120 108.800 -0.866 0.000 2.435 257 G HA2 0.413 4.374 3.960 0.001 0.000 0.296 257 G HA3 0.413 4.374 3.960 0.001 0.000 0.296 257 G C -1.113 173.334 174.900 -0.756 0.000 1.240 257 G CA -0.145 44.314 45.100 -1.068 0.000 0.872 257 G HN 0.634 nan 8.290 nan 0.000 0.480 258 T N -2.486 111.726 114.554 -0.571 0.000 2.696 258 T HA 0.527 4.878 4.350 0.001 0.000 0.291 258 T C 1.069 175.720 174.700 -0.083 0.000 1.095 258 T CA -0.555 61.401 62.100 -0.241 0.000 1.026 258 T CB 1.078 69.870 68.868 -0.127 0.000 1.390 258 T HN 0.478 nan 8.240 nan 0.000 0.513 259 L N 0.301 121.530 121.223 0.010 0.000 2.549 259 L HA 0.046 4.386 4.340 0.001 0.000 0.230 259 L C 2.270 179.182 176.870 0.070 0.000 1.162 259 L CA 1.202 56.087 54.840 0.076 0.000 0.834 259 L CB -0.512 41.583 42.059 0.060 0.000 0.947 259 L HN 0.750 nan 8.230 nan 0.000 0.452 260 E N -0.438 119.782 120.200 0.033 0.000 2.447 260 E HA 0.221 4.572 4.350 0.001 0.000 0.195 260 E C 0.778 177.413 176.600 0.058 0.000 1.028 260 E CA 0.297 56.718 56.400 0.036 0.000 0.876 260 E CB 0.590 30.296 29.700 0.011 0.000 0.885 260 E HN 0.433 nan 8.360 nan 0.000 0.500 261 G N 0.333 109.181 108.800 0.080 0.000 2.345 261 G HA2 0.189 4.150 3.960 0.001 0.000 0.310 261 G HA3 0.189 4.150 3.960 0.001 0.000 0.310 261 G C -1.666 173.305 174.900 0.119 0.000 1.476 261 G CA -1.070 44.124 45.100 0.158 0.000 0.978 261 G HN -0.019 nan 8.290 nan 0.000 0.656 262 F N 0.376 120.326 119.950 0.001 0.000 2.538 262 F HA 0.757 5.285 4.527 0.001 0.000 0.325 262 F C 1.214 176.988 175.800 -0.043 0.000 1.066 262 F CA 0.399 58.377 58.000 -0.038 0.000 0.946 262 F CB 2.102 41.063 39.000 -0.065 0.000 1.199 262 F HN 0.784 nan 8.300 nan 0.000 0.473 263 G N 0.281 109.122 108.800 0.068 0.000 2.553 263 G HA2 0.482 4.443 3.960 0.001 0.000 0.278 263 G HA3 0.482 4.443 3.960 0.001 0.000 0.278 263 G C -0.687 174.231 174.900 0.031 0.000 1.349 263 G CA -0.340 44.779 45.100 0.032 0.000 1.037 263 G HN 0.865 nan 8.290 nan 0.000 0.508 264 A N -1.110 121.726 122.820 0.026 0.000 2.445 264 A HA 0.527 4.847 4.320 0.001 0.000 0.242 264 A C -0.486 177.095 177.584 -0.004 0.000 1.075 264 A CA -0.242 51.833 52.037 0.065 0.000 0.777 264 A CB -0.027 19.014 19.000 0.069 0.000 1.013 264 A HN 0.381 nan 8.150 nan 0.000 0.493 265 F N 0.602 120.568 119.950 0.026 0.000 2.443 265 F HA 0.474 5.001 4.527 0.001 0.000 0.353 265 F C 0.872 176.672 175.800 0.000 0.000 1.101 265 F CA 1.167 59.170 58.000 0.004 0.000 1.226 265 F CB 1.202 40.194 39.000 -0.014 0.000 1.140 265 F HN 0.725 nan 8.300 nan 0.000 0.557 266 A N 4.223 127.131 122.820 0.147 0.000 2.539 266 A HA 0.773 5.094 4.320 0.001 0.000 0.296 266 A C -2.861 174.767 177.584 0.074 0.000 1.073 266 A CA -1.878 50.211 52.037 0.086 0.000 0.700 266 A CB 1.203 20.223 19.000 0.032 0.000 1.296 266 A HN 0.421 nan 8.150 nan 0.000 0.405 267 P HA 0.193 nan 4.420 nan 0.000 0.268 267 P C -1.075 176.211 177.300 -0.023 0.000 1.205 267 P CA 0.167 63.291 63.100 0.040 0.000 0.771 267 P CB 0.519 32.228 31.700 0.015 0.000 0.858 268 D N 2.268 122.671 120.400 0.004 0.000 2.396 268 D HA 0.246 4.886 4.640 0.001 0.000 0.225 268 D C 1.021 177.273 176.300 -0.079 0.000 1.121 268 D CA -0.431 53.556 54.000 -0.021 0.000 0.853 268 D CB 0.945 41.754 40.800 0.015 0.000 1.043 268 D HN 0.266 nan 8.370 nan 0.000 0.500 269 A N 3.046 125.729 122.820 -0.227 0.000 2.070 269 A HA -0.013 4.308 4.320 0.001 0.000 0.220 269 A C 1.927 179.463 177.584 -0.080 0.000 1.159 269 A CA 1.387 53.167 52.037 -0.428 0.000 0.656 269 A CB -0.253 18.532 19.000 -0.357 0.000 0.800 269 A HN 0.594 nan 8.150 nan 0.000 0.453 270 G N -1.118 107.688 108.800 0.010 0.000 2.650 270 G HA2 0.268 4.229 3.960 0.001 0.000 0.214 270 G HA3 0.268 4.229 3.960 0.001 0.000 0.214 270 G C 0.529 175.489 174.900 0.101 0.000 1.136 270 G CA 0.217 45.362 45.100 0.075 0.000 0.789 270 G HN 0.406 nan 8.290 nan 0.000 0.536 271 L N 2.142 123.444 121.223 0.132 0.000 2.495 271 L HA 0.299 4.640 4.340 0.001 0.000 0.248 271 L C -2.384 174.607 176.870 0.201 0.000 1.229 271 L CA -1.898 53.000 54.840 0.097 0.000 0.942 271 L CB 1.798 43.804 42.059 -0.089 0.000 1.242 271 L HN -0.111 nan 8.230 nan 0.000 0.484 272 P HA 0.051 nan 4.420 nan 0.000 0.269 272 P C -0.943 176.318 177.300 -0.066 0.000 1.215 272 P CA 0.184 63.240 63.100 -0.074 0.000 0.780 272 P CB 1.429 33.062 31.700 -0.112 0.000 0.898 273 D N 1.698 122.008 120.400 -0.150 0.000 2.803 273 D HA 0.160 4.801 4.640 0.001 0.000 0.218 273 D C -2.537 173.699 176.300 -0.106 0.000 1.245 273 D CA -1.776 52.182 54.000 -0.070 0.000 0.821 273 D CB 2.789 43.588 40.800 -0.003 0.000 1.626 273 D HN 0.099 nan 8.370 nan 0.000 0.487 274 P HA 0.253 nan 4.420 nan 0.000 0.249 274 P C -0.230 177.043 177.300 -0.045 0.000 1.583 274 P CA 0.223 63.283 63.100 -0.067 0.000 0.988 274 P CB 0.019 31.690 31.700 -0.049 0.000 1.530 275 A N -1.456 121.338 122.820 -0.045 0.000 2.429 275 A HA -0.125 4.196 4.320 0.001 0.000 0.290 275 A C 0.014 177.587 177.584 -0.018 0.000 1.439 275 A CA 0.430 52.449 52.037 -0.031 0.000 0.731 275 A CB -2.468 16.515 19.000 -0.028 0.000 1.138 275 A HN 0.516 nan 8.150 nan 0.000 0.384 276 C N 1.969 121.243 119.300 -0.044 0.000 3.173 276 C HA 0.701 5.162 4.460 0.001 0.000 0.310 276 C C 0.317 175.171 174.990 -0.227 0.000 1.306 276 C CA -0.183 58.787 59.018 -0.080 0.000 1.426 276 C CB 1.769 29.495 27.740 -0.022 0.000 1.800 276 C HN 1.169 nan 8.230 nan 0.000 0.470 277 Q N 1.618 121.065 119.800 -0.588 0.000 2.432 277 Q HA 0.481 4.821 4.340 0.001 0.000 0.264 277 Q C 0.057 175.849 176.000 -0.346 0.000 1.035 277 Q CA 0.829 56.251 55.803 -0.634 0.000 0.908 277 Q CB 1.215 29.134 28.738 -1.365 0.000 1.280 277 Q HN 1.041 nan 8.270 nan 0.000 0.455 278 G N 0.674 109.351 108.800 -0.205 0.000 3.015 278 G HA2 0.624 4.584 3.960 0.001 0.000 0.281 278 G HA3 0.624 4.584 3.960 0.001 0.000 0.281 278 G C -1.471 173.333 174.900 -0.160 0.000 1.386 278 G CA -0.196 44.783 45.100 -0.202 0.000 0.959 278 G HN 0.738 nan 8.290 nan 0.000 0.522 279 S N -2.129 113.405 115.700 -0.277 0.000 2.564 279 S HA 0.782 5.253 4.470 0.001 0.000 0.274 279 S C -1.437 173.106 174.600 -0.095 0.000 1.124 279 S CA -0.811 57.326 58.200 -0.105 0.000 0.869 279 S CB 1.892 65.065 63.200 -0.046 0.000 1.105 279 S HN 1.479 nan 8.310 nan 0.000 0.472 280 V N 1.984 121.976 119.914 0.131 0.000 2.925 280 V HA 0.898 5.018 4.120 0.001 0.000 0.311 280 V C -1.980 174.247 176.094 0.221 0.000 1.104 280 V CA -0.841 61.620 62.300 0.268 0.000 0.954 280 V CB 1.959 34.056 31.823 0.457 0.000 1.022 280 V HN 1.114 nan 8.190 nan 0.000 0.427 281 L N 5.146 126.510 121.223 0.236 0.000 2.493 281 L HA 0.636 4.976 4.340 0.001 0.000 0.265 281 L C -0.500 176.497 176.870 0.212 0.000 0.954 281 L CA -0.390 54.574 54.840 0.207 0.000 0.844 281 L CB 1.885 44.065 42.059 0.202 0.000 1.302 281 L HN 0.797 nan 8.230 nan 0.000 0.405 282 R N 3.212 123.814 120.500 0.170 0.000 2.242 282 R HA 0.112 4.452 4.340 0.001 0.000 0.334 282 R C -0.380 176.011 176.300 0.152 0.000 1.071 282 R CA 0.143 56.330 56.100 0.145 0.000 0.922 282 R CB 0.387 30.751 30.300 0.106 0.000 1.023 282 R HN 0.840 nan 8.270 nan 0.000 0.458 283 Y N 4.717 125.060 120.300 0.072 0.000 2.230 283 Y HA 0.053 4.604 4.550 0.001 0.000 0.294 283 Y C 0.109 176.053 175.900 0.073 0.000 1.120 283 Y CA 1.278 59.423 58.100 0.075 0.000 1.129 283 Y CB 0.522 39.028 38.460 0.076 0.000 1.040 283 Y HN 0.737 nan 8.280 nan 0.000 0.519 284 N N -1.622 117.206 118.700 0.213 0.000 2.935 284 N HA 0.063 4.803 4.740 0.001 0.000 0.248 284 N C -0.643 174.941 175.510 0.123 0.000 1.276 284 N CA 0.265 53.402 53.050 0.146 0.000 0.906 284 N CB 1.038 39.673 38.487 0.247 0.000 1.564 284 N HN 0.083 nan 8.380 nan 0.000 0.500 285 S N -1.082 114.670 115.700 0.087 0.000 2.520 285 S HA 0.101 4.571 4.470 0.001 0.000 0.219 285 S C 0.188 174.828 174.600 0.067 0.000 1.028 285 S CA 0.106 58.347 58.200 0.068 0.000 0.921 285 S CB 0.122 63.352 63.200 0.049 0.000 0.844 285 S HN 0.602 nan 8.310 nan 0.000 0.495 286 D N 2.506 122.951 120.400 0.074 0.000 2.339 286 D HA 0.560 5.201 4.640 0.001 0.000 0.245 286 D C 0.149 176.496 176.300 0.079 0.000 1.115 286 D CA 0.001 54.041 54.000 0.066 0.000 0.917 286 D CB 1.252 42.089 40.800 0.061 0.000 1.192 286 D HN 0.404 nan 8.370 nan 0.000 0.428 287 A N 3.053 125.911 122.820 0.062 0.000 2.546 287 A HA 0.333 4.653 4.320 0.001 0.000 0.243 287 A C -2.026 175.605 177.584 0.077 0.000 1.063 287 A CA -0.757 51.318 52.037 0.064 0.000 0.757 287 A CB -0.388 18.634 19.000 0.037 0.000 0.991 287 A HN 0.462 nan 8.150 nan 0.000 0.503 288 P HA 0.469 nan 4.420 nan 0.000 0.293 288 P C -0.287 177.130 177.300 0.195 0.000 1.300 288 P CA -0.176 63.011 63.100 0.145 0.000 0.792 288 P CB 1.254 33.050 31.700 0.160 0.000 0.925 289 A N 5.135 128.046 122.820 0.153 0.000 2.462 289 A HA 0.355 4.676 4.320 0.001 0.000 0.243 289 A C 0.259 177.902 177.584 0.098 0.000 1.076 289 A CA -0.075 52.035 52.037 0.122 0.000 0.773 289 A CB -0.015 19.030 19.000 0.075 0.000 1.010 289 A HN 0.557 nan 8.150 nan 0.000 0.493 290 R N 0.938 121.479 120.500 0.067 0.000 2.621 290 R HA 0.553 4.894 4.340 0.001 0.000 0.284 290 R C -1.253 175.054 176.300 0.012 0.000 0.998 290 R CA -0.511 55.552 56.100 -0.062 0.000 0.895 290 R CB 2.396 32.632 30.300 -0.106 0.000 1.195 290 R HN 0.679 nan 8.270 nan 0.000 0.450 291 T N 3.523 118.035 114.554 -0.070 0.000 2.823 291 T HA 0.500 4.851 4.350 0.001 0.000 0.279 291 T C -0.047 174.788 174.700 0.226 0.000 0.998 291 T CA -0.670 61.470 62.100 0.066 0.000 0.994 291 T CB 1.059 69.912 68.868 -0.025 0.000 0.960 291 T HN 0.231 nan 8.240 nan 0.000 0.448 292 I N 2.928 123.690 120.570 0.320 0.000 2.460 292 I HA 0.578 4.749 4.170 0.001 0.000 0.298 292 I C -0.610 175.739 176.117 0.386 0.000 0.989 292 I CA -1.113 60.397 61.300 0.350 0.000 1.173 292 I CB 1.306 39.463 38.000 0.262 0.000 1.338 292 I HN 0.601 nan 8.210 nan 0.000 0.456 293 F N 6.765 126.757 119.950 0.070 0.000 2.565 293 F HA 0.708 5.236 4.527 0.001 0.000 0.313 293 F C -1.664 174.072 175.800 -0.107 0.000 1.091 293 F CA -0.970 56.921 58.000 -0.182 0.000 0.915 293 F CB 1.856 40.344 39.000 -0.853 0.000 1.208 293 F HN 0.277 nan 8.300 nan 0.000 0.453 294 L N 7.242 127.859 121.223 -1.011 0.000 2.439 294 L HA 0.560 4.900 4.340 0.001 0.000 0.270 294 L C -1.529 174.825 176.870 -0.859 0.000 0.972 294 L CA -0.190 54.268 54.840 -0.637 0.000 0.836 294 L CB 1.369 43.280 42.059 -0.246 0.000 1.255 294 L HN 0.838 nan 8.230 nan 0.000 0.404 295 N N 1.714 120.112 118.700 -0.502 0.000 3.277 295 N HA 0.314 5.055 4.740 0.001 0.000 0.278 295 N C -1.667 173.770 175.510 -0.122 0.000 1.544 295 N CA -0.584 52.298 53.050 -0.280 0.000 0.869 295 N CB 1.389 39.772 38.487 -0.173 0.000 1.584 295 N HN 0.337 nan 8.380 nan 0.000 0.564 296 S N -0.675 114.983 115.700 -0.070 0.000 2.416 296 S HA 0.566 5.036 4.470 0.001 0.000 0.287 296 S C -0.029 174.547 174.600 -0.040 0.000 1.139 296 S CA -0.398 57.772 58.200 -0.050 0.000 1.058 296 S CB -0.832 62.345 63.200 -0.037 0.000 0.967 296 S HN 0.758 nan 8.310 nan 0.000 0.495 297 A N 4.667 127.456 122.820 -0.051 0.000 3.048 297 A HA 0.517 4.838 4.320 0.001 0.000 0.264 297 A C 0.448 177.996 177.584 -0.060 0.000 1.796 297 A CA -0.263 51.742 52.037 -0.053 0.000 1.445 297 A CB -0.693 18.245 19.000 -0.104 0.000 1.074 297 A HN 0.743 nan 8.150 nan 0.000 0.621 298 S N -0.301 115.360 115.700 -0.065 0.000 2.537 298 S HA 0.532 5.003 4.470 0.001 0.000 0.271 298 S C 0.823 175.355 174.600 -0.113 0.000 1.148 298 S CA 0.194 58.348 58.200 -0.077 0.000 0.868 298 S CB 1.065 64.229 63.200 -0.061 0.000 1.115 298 S HN 0.833 nan 8.310 nan 0.000 0.461 299 G N 1.053 109.769 108.800 -0.141 0.000 2.813 299 G HA2 0.137 4.097 3.960 0.001 0.000 0.209 299 G HA3 0.137 4.097 3.960 0.001 0.000 0.209 299 G C 1.013 175.845 174.900 -0.113 0.000 1.150 299 G CA 1.104 46.096 45.100 -0.179 0.000 0.785 299 G HN 1.031 nan 8.290 nan 0.000 0.535 300 T N -4.441 110.064 114.554 -0.082 0.000 3.010 300 T HA 0.351 4.701 4.350 0.001 0.000 0.252 300 T C 0.854 175.522 174.700 -0.053 0.000 0.963 300 T CA 0.541 62.604 62.100 -0.061 0.000 0.952 300 T CB 0.647 69.484 68.868 -0.052 0.000 1.182 300 T HN 0.101 nan 8.240 nan 0.000 0.495 301 S N -0.034 115.631 115.700 -0.057 0.000 2.536 301 S HA 0.548 5.019 4.470 0.001 0.000 0.298 301 S C 0.382 174.954 174.600 -0.048 0.000 1.083 301 S CA -0.861 57.304 58.200 -0.059 0.000 0.995 301 S CB 1.651 64.808 63.200 -0.071 0.000 1.058 301 S HN 0.319 nan 8.310 nan 0.000 0.488 302 R N 1.650 122.127 120.500 -0.039 0.000 2.310 302 R HA 0.207 4.548 4.340 0.001 0.000 0.202 302 R C 0.803 177.088 176.300 -0.025 0.000 0.933 302 R CA 0.313 56.402 56.100 -0.017 0.000 1.054 302 R CB 0.113 30.424 30.300 0.018 0.000 0.985 302 R HN 0.491 nan 8.270 nan 0.000 0.489 303 R N 0.338 120.809 120.500 -0.049 0.000 2.568 303 R HA 0.277 4.617 4.340 0.001 0.000 0.288 303 R C -0.156 176.120 176.300 -0.038 0.000 1.077 303 R CA -0.192 55.880 56.100 -0.046 0.000 1.102 303 R CB 0.978 31.231 30.300 -0.077 0.000 1.278 303 R HN 0.024 nan 8.270 nan 0.000 0.560 307 V N 5.195 125.080 119.914 -0.049 0.000 2.481 307 V HA 0.737 4.857 4.120 0.001 0.000 0.286 307 V C -0.595 175.528 176.094 0.048 0.000 1.042 307 V CA -0.185 62.116 62.300 0.002 0.000 0.928 307 V CB 1.280 33.118 31.823 0.025 0.000 0.986 307 V HN 0.802 nan 8.190 nan 0.000 0.462 308 R N 5.334 125.904 120.500 0.117 0.000 2.837 308 R HA 0.677 5.017 4.340 0.001 0.000 0.271 308 R C -1.442 175.049 176.300 0.317 0.000 0.993 308 R CA -0.819 55.402 56.100 0.202 0.000 0.931 308 R CB 2.452 32.895 30.300 0.239 0.000 1.206 308 R HN 0.611 nan 8.270 nan 0.000 0.474 309 I N 0.312 121.032 120.570 0.249 0.000 2.474 309 I HA 0.308 4.479 4.170 0.001 0.000 0.294 309 I C -0.276 175.758 176.117 -0.138 0.000 1.005 309 I CA -0.524 60.797 61.300 0.036 0.000 1.113 309 I CB 2.195 40.051 38.000 -0.240 0.000 1.289 309 I HN 0.411 nan 8.210 nan 0.000 0.436 310 S N 3.889 119.291 115.700 -0.496 0.000 2.482 310 S HA 0.467 4.938 4.470 0.001 0.000 0.303 310 S C -0.216 174.022 174.600 -0.604 0.000 1.091 310 S CA -0.339 57.388 58.200 -0.788 0.000 1.057 310 S CB 0.664 62.927 63.200 -1.562 0.000 1.031 310 S HN 0.471 nan 8.310 nan 0.000 0.485 311 Y N 1.250 121.424 120.300 -0.210 0.000 2.458 311 Y HA 0.317 4.868 4.550 0.001 0.000 0.256 311 Y C 0.420 176.243 175.900 -0.129 0.000 1.159 311 Y CA -0.595 57.431 58.100 -0.124 0.000 1.261 311 Y CB 0.283 38.699 38.460 -0.074 0.000 1.119 311 Y HN 0.487 nan 8.280 nan 0.000 0.524 312 D N 0.157 120.509 120.400 -0.080 0.000 2.345 312 D HA 0.181 4.821 4.640 0.001 0.000 0.247 312 D C 1.170 177.413 176.300 -0.095 0.000 1.108 312 D CA 0.288 54.239 54.000 -0.083 0.000 0.894 312 D CB 1.792 42.519 40.800 -0.122 0.000 1.203 312 D HN 0.230 nan 8.370 nan 0.000 0.430 313 A N 2.528 125.318 122.820 -0.051 0.000 2.070 313 A HA -0.181 4.139 4.320 0.001 0.000 0.220 313 A C 1.147 178.694 177.584 -0.061 0.000 1.159 313 A CA 1.382 53.393 52.037 -0.043 0.000 0.656 313 A CB -0.098 18.889 19.000 -0.021 0.000 0.800 313 A HN 0.583 nan 8.150 nan 0.000 0.453 314 D N -2.459 117.898 120.400 -0.070 0.000 2.440 314 D HA 0.410 5.050 4.640 0.001 0.000 0.216 314 D C 0.569 176.801 176.300 -0.114 0.000 1.150 314 D CA 0.353 54.320 54.000 -0.056 0.000 0.832 314 D CB -0.559 40.235 40.800 -0.011 0.000 0.992 314 D HN 0.830 nan 8.370 nan 0.000 0.502 315 A N 0.870 123.548 122.820 -0.237 0.000 2.748 315 A HA -0.363 3.958 4.320 0.001 0.000 0.297 315 A C 1.519 178.969 177.584 -0.223 0.000 1.508 315 A CA 1.474 53.258 52.037 -0.421 0.000 0.799 315 A CB -2.560 16.026 19.000 -0.690 0.000 1.011 315 A HN 0.424 nan 8.150 nan 0.000 0.500 316 K N -0.251 120.082 120.400 -0.112 0.000 2.032 316 K HA -0.084 4.237 4.320 0.001 0.000 0.209 316 K C 0.927 177.525 176.600 -0.003 0.000 1.048 316 K CA 1.883 58.163 56.287 -0.011 0.000 0.927 316 K CB -0.024 32.468 32.500 -0.013 0.000 0.712 316 K HN 0.637 nan 8.250 nan 0.000 0.441 317 K N -0.175 120.170 120.400 -0.092 0.000 2.427 317 K HA 0.232 4.553 4.320 0.001 0.000 0.252 317 K C -1.518 174.994 176.600 -0.148 0.000 0.931 317 K CA -0.679 55.593 56.287 -0.024 0.000 0.793 317 K CB 0.967 33.472 32.500 0.010 0.000 1.211 317 K HN -0.141 nan 8.250 nan 0.000 0.426 318 F N 2.592 122.545 119.950 0.005 0.000 2.458 318 F HA 0.273 4.801 4.527 0.001 0.000 0.330 318 F C 0.952 176.780 175.800 0.047 0.000 1.082 318 F CA -0.560 57.448 58.000 0.013 0.000 0.995 318 F CB 1.091 40.099 39.000 0.013 0.000 1.170 318 F HN 0.632 nan 8.300 nan 0.000 0.478 319 N N 1.235 120.076 118.700 0.234 0.000 2.294 319 N HA -0.104 4.637 4.740 0.001 0.000 0.248 319 N C 0.779 176.416 175.510 0.213 0.000 1.300 319 N CA -0.218 52.956 53.050 0.207 0.000 0.925 319 N CB -0.185 38.422 38.487 0.199 0.000 1.188 319 N HN 0.710 nan 8.380 nan 0.000 0.512 320 Y N -0.188 120.164 120.300 0.086 0.000 2.165 320 Y HA -0.048 4.503 4.550 0.001 0.000 0.286 320 Y C 1.640 177.566 175.900 0.044 0.000 1.155 320 Y CA 2.335 60.470 58.100 0.057 0.000 1.164 320 Y CB -0.733 37.740 38.460 0.022 0.000 0.978 320 Y HN 0.940 nan 8.280 nan 0.000 0.513 321 G N 0.294 109.243 108.800 0.249 0.000 2.498 321 G HA2 -0.327 3.633 3.960 0.001 0.000 0.245 321 G HA3 -0.327 3.633 3.960 0.001 0.000 0.245 321 G C -0.514 174.453 174.900 0.112 0.000 1.204 321 G CA 0.158 45.332 45.100 0.124 0.000 0.933 321 G HN 0.637 nan 8.290 nan 0.000 0.574 322 R N 0.137 120.623 120.500 -0.024 0.000 2.584 322 R HA 0.508 4.848 4.340 0.001 0.000 0.276 322 R C -0.477 175.773 176.300 -0.082 0.000 1.046 322 R CA -0.810 55.207 56.100 -0.139 0.000 0.906 322 R CB 1.074 31.028 30.300 -0.577 0.000 1.215 322 R HN 0.582 nan 8.270 nan 0.000 0.449 323 K N 4.357 124.742 120.400 -0.026 0.000 2.368 323 K HA 0.114 4.435 4.320 0.001 0.000 0.282 323 K C 0.968 177.604 176.600 0.060 0.000 1.035 323 K CA -0.139 56.153 56.287 0.008 0.000 0.973 323 K CB 0.827 33.345 32.500 0.031 0.000 0.957 323 K HN 0.539 nan 8.250 nan 0.000 0.474 324 L N 1.985 123.241 121.223 0.056 0.000 2.191 324 L HA -0.184 4.156 4.340 0.001 0.000 0.212 324 L C 2.086 178.988 176.870 0.053 0.000 1.103 324 L CA 1.047 55.930 54.840 0.071 0.000 0.769 324 L CB -0.333 41.715 42.059 -0.017 0.000 0.908 324 L HN 0.698 nan 8.230 nan 0.000 0.438 325 E N 0.618 120.837 120.200 0.032 0.000 2.333 325 E HA -0.217 4.134 4.350 0.001 0.000 0.198 325 E C 1.441 178.058 176.600 0.028 0.000 1.007 325 E CA 0.877 57.288 56.400 0.018 0.000 0.845 325 E CB -0.031 29.676 29.700 0.011 0.000 0.766 325 E HN 0.339 nan 8.360 nan 0.000 0.507 326 D N -0.362 120.071 120.400 0.056 0.000 2.263 326 D HA -0.093 4.547 4.640 0.001 0.000 0.208 326 D C 0.137 176.474 176.300 0.062 0.000 0.971 326 D CA 1.349 55.381 54.000 0.054 0.000 0.867 326 D CB 0.047 40.854 40.800 0.011 0.000 0.929 326 D HN 0.222 nan 8.370 nan 0.000 0.492 327 A N 0.332 123.173 122.820 0.036 0.000 3.248 327 A HA 0.197 4.518 4.320 0.001 0.000 0.315 327 A C 0.211 177.749 177.584 -0.078 0.000 0.974 327 A CA -0.606 51.333 52.037 -0.165 0.000 0.939 327 A CB 0.023 18.664 19.000 -0.598 0.000 1.061 327 A HN -0.087 nan 8.150 nan 0.000 0.481 328 K N 0.643 121.030 120.400 -0.022 0.000 2.436 328 K HA 0.335 4.656 4.320 0.001 0.000 0.275 328 K C -0.445 176.153 176.600 -0.004 0.000 0.999 328 K CA 0.139 56.418 56.287 -0.013 0.000 0.980 328 K CB 0.540 33.039 32.500 -0.002 0.000 0.919 328 K HN 0.235 nan 8.250 nan 0.000 0.484 329 V N 3.195 123.101 119.914 -0.015 0.000 2.481 329 V HA 0.178 4.298 4.120 0.001 0.000 0.286 329 V C -0.272 175.807 176.094 -0.024 0.000 1.042 329 V CA -0.547 61.751 62.300 -0.004 0.000 0.928 329 V CB 1.668 33.488 31.823 -0.005 0.000 0.986 329 V HN 0.816 nan 8.190 nan 0.000 0.462 330 S N 2.354 118.051 115.700 -0.005 0.000 2.565 330 S HA 0.684 5.155 4.470 0.001 0.000 0.290 330 S C 0.982 175.577 174.600 -0.008 0.000 1.150 330 S CA 0.256 58.444 58.200 -0.019 0.000 1.058 330 S CB 1.472 64.674 63.200 0.003 0.000 1.032 330 S HN 1.503 nan 8.310 nan 0.000 0.510 331 G N 0.842 109.629 108.800 -0.023 0.000 2.176 331 G HA2 -0.161 3.799 3.960 0.001 0.000 0.253 331 G HA3 -0.161 3.799 3.960 0.001 0.000 0.253 331 G C 0.365 175.311 174.900 0.077 0.000 0.979 331 G CA 0.131 45.258 45.100 0.047 0.000 0.641 331 G HN 1.212 nan 8.290 nan 0.000 0.530 332 A N -0.332 122.416 122.820 -0.119 0.000 2.606 332 A HA 0.769 5.090 4.320 0.001 0.000 0.290 332 A C 1.732 178.809 177.584 -0.845 0.000 1.174 332 A CA 1.297 53.199 52.037 -0.226 0.000 0.958 332 A CB -0.128 18.846 19.000 -0.044 0.000 1.194 332 A HN 2.496 nan 8.150 nan 0.000 0.526 333 G N -0.236 107.868 108.800 -1.160 0.000 2.725 333 G HA2 -0.139 3.821 3.960 0.001 0.000 0.220 333 G HA3 -0.139 3.821 3.960 0.001 0.000 0.220 333 G C -0.630 173.902 174.900 -0.614 0.000 1.357 333 G CA -0.533 43.869 45.100 -1.163 0.000 0.866 333 G HN 0.611 nan 8.290 nan 0.000 0.548 334 H N 1.321 120.247 119.070 -0.239 0.000 2.846 334 H HA 0.342 4.898 4.556 0.001 0.000 0.278 334 H C 0.828 176.088 175.328 -0.112 0.000 1.117 334 H CA 0.206 56.170 56.048 -0.141 0.000 1.406 334 H CB 0.823 30.508 29.762 -0.128 0.000 1.445 334 H HN 0.642 nan 8.280 nan 0.000 0.469 335 E N 2.356 122.550 120.200 -0.009 0.000 2.384 335 E HA 0.342 4.692 4.350 0.001 0.000 0.266 335 E C -0.060 176.546 176.600 0.009 0.000 1.012 335 E CA -0.216 56.178 56.400 -0.010 0.000 0.901 335 E CB 0.534 30.220 29.700 -0.022 0.000 0.967 335 E HN 0.955 nan 8.360 nan 0.000 0.435 336 G N 1.595 110.406 108.800 0.019 0.000 2.277 336 G HA2 0.434 4.395 3.960 0.001 0.000 0.272 336 G HA3 0.434 4.395 3.960 0.001 0.000 0.272 336 G C -0.316 174.615 174.900 0.052 0.000 1.692 336 G CA -0.284 44.829 45.100 0.021 0.000 0.926 336 G HN 0.945 nan 8.290 nan 0.000 0.720 337 G N 0.213 109.058 108.800 0.075 0.000 2.403 337 G HA2 0.490 4.451 3.960 0.001 0.000 0.223 337 G HA3 0.490 4.451 3.960 0.001 0.000 0.223 337 G C -0.814 174.216 174.900 0.216 0.000 1.287 337 G CA -0.296 44.899 45.100 0.159 0.000 0.982 337 G HN 1.232 nan 8.290 nan 0.000 0.471 338 Y N 1.467 121.771 120.300 0.007 0.000 2.511 338 Y HA 0.513 5.063 4.550 0.001 0.000 0.347 338 Y C 1.333 177.235 175.900 0.003 0.000 1.257 338 Y CA -0.003 58.100 58.100 0.005 0.000 1.469 338 Y CB 1.068 39.539 38.460 0.017 0.000 1.353 338 Y HN 0.959 nan 8.280 nan 0.000 0.617 339 S N -0.346 115.429 115.700 0.124 0.000 2.607 339 S HA 0.837 5.307 4.470 0.001 0.000 0.273 339 S C -0.775 173.872 174.600 0.078 0.000 1.148 339 S CA -0.678 57.568 58.200 0.078 0.000 0.833 339 S CB 2.334 65.540 63.200 0.009 0.000 1.130 339 S HN 0.623 nan 8.310 nan 0.000 0.470 343 K N 1.980 122.414 120.400 0.056 0.000 2.185 343 K HA 0.576 4.897 4.320 0.001 0.000 0.271 343 K C 0.496 177.098 176.600 0.004 0.000 1.013 343 K CA -0.594 55.688 56.287 -0.009 0.000 0.943 343 K CB 1.096 33.511 32.500 -0.142 0.000 0.998 343 K HN 0.750 nan 8.250 nan 0.000 0.468 344 T N -2.197 112.345 114.554 -0.021 0.000 2.936 344 T HA 0.288 4.638 4.350 0.001 0.000 0.282 344 T C 1.221 175.829 174.700 -0.153 0.000 1.003 344 T CA -0.767 61.317 62.100 -0.026 0.000 1.005 344 T CB 1.564 70.442 68.868 0.017 0.000 1.097 344 T HN 0.582 nan 8.240 nan 0.000 0.532 345 G N 0.080 108.782 108.800 -0.162 0.000 2.744 345 G HA2 0.032 3.992 3.960 0.001 0.000 0.211 345 G HA3 0.032 3.992 3.960 0.001 0.000 0.211 345 G C 0.656 175.312 174.900 -0.406 0.000 1.143 345 G CA 0.413 45.351 45.100 -0.270 0.000 0.788 345 G HN 0.920 nan 8.290 nan 0.000 0.534 346 D N -1.195 119.035 120.400 -0.283 0.000 2.643 346 D HA 0.086 4.727 4.640 0.001 0.000 0.244 346 D C -0.258 176.011 176.300 -0.052 0.000 1.257 346 D CA -1.398 52.490 54.000 -0.187 0.000 0.831 346 D CB -0.805 39.951 40.800 -0.074 0.000 1.043 346 D HN 0.328 nan 8.370 nan 0.000 0.488 347 Y N -0.437 119.862 120.300 -0.003 0.000 3.477 347 Y HA -0.286 4.264 4.550 0.001 0.000 0.216 347 Y C 0.204 176.154 175.900 0.083 0.000 1.296 347 Y CA 0.366 58.501 58.100 0.057 0.000 1.535 347 Y CB -1.912 36.588 38.460 0.067 0.000 1.482 347 Y HN 0.134 nan 8.280 nan 0.000 0.597 348 K N 0.210 120.667 120.400 0.094 0.000 2.352 348 K HA 0.752 5.073 4.320 0.001 0.000 0.240 348 K C -0.001 176.618 176.600 0.031 0.000 1.017 348 K CA -1.071 55.248 56.287 0.054 0.000 0.851 348 K CB 2.054 34.518 32.500 -0.061 0.000 1.261 348 K HN 0.122 nan 8.250 nan 0.000 0.451 349 I N 0.719 121.203 120.570 -0.144 0.000 2.359 349 I HA 0.291 4.461 4.170 0.001 0.000 0.294 349 I C 0.548 176.299 176.117 -0.609 0.000 0.987 349 I CA -0.508 60.615 61.300 -0.296 0.000 1.225 349 I CB 1.768 39.547 38.000 -0.368 0.000 1.366 349 I HN 0.561 nan 8.210 nan 0.000 0.466 350 G N 4.656 113.234 108.800 -0.371 0.000 2.368 350 G HA2 0.716 4.677 3.960 0.001 0.000 0.320 350 G HA3 0.716 4.677 3.960 0.001 0.000 0.320 350 G C -0.973 173.684 174.900 -0.406 0.000 1.158 350 G CA -0.389 44.345 45.100 -0.610 0.000 0.912 350 G HN 0.745 nan 8.290 nan 0.000 0.456 351 A N 2.827 125.300 122.820 -0.578 0.000 2.356 351 A HA 0.753 5.074 4.320 0.001 0.000 0.310 351 A C -0.537 177.059 177.584 0.020 0.000 1.075 351 A CA -0.574 51.391 52.037 -0.121 0.000 0.746 351 A CB 1.223 20.227 19.000 0.007 0.000 1.221 351 A HN 0.668 nan 8.150 nan 0.000 0.443 352 L N 2.453 123.798 121.223 0.204 0.000 2.289 352 L HA 0.660 5.001 4.340 0.001 0.000 0.285 352 L C -0.835 176.110 176.870 0.125 0.000 1.049 352 L CA -0.754 54.218 54.840 0.219 0.000 0.804 352 L CB 1.654 43.862 42.059 0.249 0.000 1.195 352 L HN 0.457 nan 8.230 nan 0.000 0.428 353 V N 2.344 122.316 119.914 0.096 0.000 2.686 353 V HA 0.264 4.384 4.120 0.001 0.000 0.306 353 V C -0.195 175.943 176.094 0.072 0.000 1.065 353 V CA -0.959 61.385 62.300 0.073 0.000 0.894 353 V CB 1.978 33.826 31.823 0.042 0.000 1.004 353 V HN 0.689 nan 8.190 nan 0.000 0.424 354 E N 1.437 121.686 120.200 0.081 0.000 2.404 354 E HA 0.441 4.792 4.350 0.001 0.000 0.261 354 E C -0.213 176.422 176.600 0.060 0.000 1.074 354 E CA 0.119 56.564 56.400 0.075 0.000 0.917 354 E CB 1.115 30.860 29.700 0.076 0.000 0.965 354 E HN 0.631 nan 8.360 nan 0.000 0.433 355 S N 0.911 116.648 115.700 0.062 0.000 2.564 355 S HA 0.286 4.756 4.470 0.001 0.000 0.274 355 S C -1.932 172.704 174.600 0.060 0.000 1.124 355 S CA -0.837 57.376 58.200 0.022 0.000 0.869 355 S CB 1.608 64.780 63.200 -0.047 0.000 1.105 355 S HN 0.475 nan 8.310 nan 0.000 0.472 356 D N 2.139 122.570 120.400 0.052 0.000 2.686 356 D HA 0.372 5.012 4.640 0.001 0.000 0.249 356 D C 0.085 176.511 176.300 0.210 0.000 1.260 356 D CA -0.576 53.537 54.000 0.189 0.000 0.910 356 D CB 0.604 41.539 40.800 0.225 0.000 1.323 356 D HN 0.392 nan 8.370 nan 0.000 0.561 357 F N 2.535 122.640 119.950 0.258 0.000 2.293 357 F HA 0.050 4.578 4.527 0.001 0.000 0.300 357 F C 1.504 177.552 175.800 0.415 0.000 1.086 357 F CA 0.470 58.625 58.000 0.258 0.000 1.375 357 F CB -0.214 38.923 39.000 0.228 0.000 1.045 357 F HN 0.480 nan 8.300 nan 0.000 0.516 358 F N 1.188 121.340 119.950 0.338 0.000 3.006 358 F HA -0.384 4.144 4.527 0.001 0.000 0.289 358 F C 1.559 177.478 175.800 0.198 0.000 0.772 358 F CA 0.559 58.694 58.000 0.224 0.000 1.162 358 F CB -1.704 37.414 39.000 0.196 0.000 1.382 358 F HN 0.288 nan 8.300 nan 0.000 0.406 359 N N 0.436 119.279 118.700 0.238 0.000 2.364 359 N HA -0.169 4.571 4.740 0.001 0.000 0.183 359 N C 1.170 176.671 175.510 -0.014 0.000 1.022 359 N CA 1.654 54.792 53.050 0.146 0.000 0.883 359 N CB -0.225 38.391 38.487 0.215 0.000 0.965 359 N HN 0.619 nan 8.380 nan 0.000 0.438 360 D N -0.269 120.059 120.400 -0.121 0.000 2.623 360 D HA 0.265 4.906 4.640 0.001 0.000 0.252 360 D C 1.012 177.094 176.300 -0.363 0.000 1.294 360 D CA 0.259 54.149 54.000 -0.183 0.000 0.824 360 D CB 0.108 40.824 40.800 -0.140 0.000 1.070 360 D HN 0.365 nan 8.370 nan 0.000 0.487 361 G N 0.658 109.027 108.800 -0.719 0.000 2.634 361 G HA2 -0.416 3.545 3.960 0.001 0.000 0.309 361 G HA3 -0.416 3.545 3.960 0.001 0.000 0.309 361 G C 1.227 175.534 174.900 -0.987 0.000 1.265 361 G CA 1.158 45.389 45.100 -1.447 0.000 0.998 361 G HN 0.573 nan 8.290 nan 0.000 0.551 362 T N 0.083 114.379 114.554 -0.431 0.000 3.160 362 T HA 0.440 4.791 4.350 0.001 0.000 0.257 362 T C 1.406 176.050 174.700 -0.095 0.000 1.147 362 T CA 1.236 63.287 62.100 -0.082 0.000 1.064 362 T CB -0.329 68.555 68.868 0.027 0.000 0.949 362 T HN 1.718 nan 8.240 nan 0.000 0.526 363 G N 1.580 110.284 108.800 -0.160 0.000 2.599 363 G HA2 0.348 4.308 3.960 0.001 0.000 0.264 363 G HA3 0.348 4.308 3.960 0.001 0.000 0.264 363 G C 0.788 175.613 174.900 -0.126 0.000 1.200 363 G CA -0.586 44.439 45.100 -0.125 0.000 0.896 363 G HN 0.479 nan 8.290 nan 0.000 0.536 364 K N -0.657 119.660 120.400 -0.138 0.000 2.362 364 K HA -0.075 4.246 4.320 0.001 0.000 0.200 364 K C 1.321 177.749 176.600 -0.287 0.000 1.046 364 K CA 1.384 57.553 56.287 -0.196 0.000 0.952 364 K CB 0.030 32.414 32.500 -0.194 0.000 0.753 364 K HN 0.338 nan 8.250 nan 0.000 0.466 365 N N 0.849 119.409 118.700 -0.233 0.000 2.270 365 N HA 0.036 4.777 4.740 0.001 0.000 0.198 365 N C -0.832 174.556 175.510 -0.203 0.000 1.117 365 N CA -0.137 52.762 53.050 -0.251 0.000 0.845 365 N CB 0.444 38.826 38.487 -0.174 0.000 0.980 365 N HN 0.055 nan 8.380 nan 0.000 0.486 366 S N 0.994 116.630 115.700 -0.105 0.000 2.465 366 S HA 0.100 4.570 4.470 0.001 0.000 0.280 366 S C -0.586 174.073 174.600 0.099 0.000 1.232 366 S CA -0.286 57.911 58.200 -0.005 0.000 1.066 366 S CB -0.214 63.010 63.200 0.040 0.000 0.929 366 S HN 0.200 nan 8.310 nan 0.000 0.494 367 Y N 3.095 123.505 120.300 0.183 0.000 2.511 367 Y HA 0.208 4.758 4.550 0.001 0.000 0.332 367 Y C 1.207 177.290 175.900 0.304 0.000 1.177 367 Y CA -0.021 58.113 58.100 0.056 0.000 1.422 367 Y CB 0.537 38.851 38.460 -0.244 0.000 1.271 367 Y HN 0.324 nan 8.280 nan 0.000 0.550 368 R N 2.346 123.076 120.500 0.383 0.000 2.534 368 R HA 0.796 5.137 4.340 0.001 0.000 0.301 368 R C -0.830 175.684 176.300 0.357 0.000 0.961 368 R CA -1.020 55.277 56.100 0.328 0.000 0.871 368 R CB 1.661 32.077 30.300 0.193 0.000 1.170 368 R HN 0.728 nan 8.270 nan 0.000 0.446 369 A N 3.078 126.103 122.820 0.341 0.000 2.435 369 A HA 0.855 5.175 4.320 0.001 0.000 0.296 369 A C -0.718 177.002 177.584 0.226 0.000 1.147 369 A CA -0.772 51.473 52.037 0.348 0.000 0.775 369 A CB 1.382 20.603 19.000 0.369 0.000 1.340 369 A HN 0.620 nan 8.150 nan 0.000 0.427 370 I N 1.421 122.124 120.570 0.221 0.000 2.466 370 I HA 0.308 4.479 4.170 0.001 0.000 0.289 370 I C -0.925 175.280 176.117 0.146 0.000 1.026 370 I CA -0.525 60.874 61.300 0.166 0.000 1.078 370 I CB 1.671 39.751 38.000 0.135 0.000 1.249 370 I HN 0.378 nan 8.210 nan 0.000 0.429 371 I N 5.161 125.785 120.570 0.091 0.000 2.440 371 I HA 0.162 4.333 4.170 0.001 0.000 0.294 371 I C -0.366 175.784 176.117 0.054 0.000 0.995 371 I CA -0.435 60.888 61.300 0.038 0.000 1.306 371 I CB 1.354 39.355 38.000 0.000 0.000 1.407 371 I HN 0.689 nan 8.210 nan 0.000 0.501 372 W N 7.380 128.491 121.300 -0.314 0.000 2.429 372 W HA 0.451 5.112 4.660 0.001 0.000 0.314 372 W C -1.039 175.244 176.519 -0.393 0.000 1.062 372 W CA -0.700 56.407 57.345 -0.396 0.000 1.211 372 W CB 1.355 30.416 29.460 -0.666 0.000 1.305 372 W HN 0.540 nan 8.180 nan 0.000 0.476 373 R N 4.796 124.816 120.500 -0.800 0.000 2.670 373 R HA 0.538 4.878 4.340 0.001 0.000 0.289 373 R C -0.749 174.929 176.300 -1.037 0.000 0.965 373 R CA -1.059 54.632 56.100 -0.682 0.000 0.899 373 R CB 2.791 32.968 30.300 -0.206 0.000 1.173 373 R HN 0.497 nan 8.270 nan 0.000 0.456 374 R N 2.395 122.507 120.500 -0.647 0.000 2.599 374 R HA 0.524 4.865 4.340 0.001 0.000 0.295 374 R C -1.219 174.992 176.300 -0.149 0.000 0.963 374 R CA -0.575 55.241 56.100 -0.473 0.000 0.883 374 R CB 1.378 31.597 30.300 -0.135 0.000 1.171 374 R HN 0.509 nan 8.270 nan 0.000 0.450 375 F N -0.433 119.477 119.950 -0.067 0.000 2.678 375 F HA 0.489 5.016 4.527 0.001 0.000 0.308 375 F C -1.020 174.882 175.800 0.170 0.000 1.118 375 F CA -1.483 56.518 58.000 0.002 0.000 0.959 375 F CB 0.969 39.765 39.000 -0.339 0.000 1.305 375 F HN 0.377 nan 8.300 nan 0.000 0.443 376 N N 1.491 120.488 118.700 0.496 0.000 2.502 376 N HA 0.396 5.136 4.740 0.001 0.000 0.280 376 N C 0.306 176.064 175.510 0.413 0.000 1.223 376 N CA -0.960 52.312 53.050 0.370 0.000 0.966 376 N CB 0.974 39.639 38.487 0.297 0.000 1.203 376 N HN 0.890 nan 8.380 nan 0.000 0.565 377 L N -0.588 120.771 121.223 0.227 0.000 2.079 377 L HA -0.174 4.167 4.340 0.001 0.000 0.210 377 L C 2.471 179.455 176.870 0.190 0.000 1.081 377 L CA 1.492 56.416 54.840 0.140 0.000 0.752 377 L CB -0.573 41.465 42.059 -0.035 0.000 0.896 377 L HN 0.732 nan 8.230 nan 0.000 0.433 378 S N -0.535 115.290 115.700 0.209 0.000 2.359 378 S HA -0.279 4.191 4.470 0.001 0.000 0.224 378 S C 1.767 176.495 174.600 0.214 0.000 1.035 378 S CA 1.527 59.839 58.200 0.186 0.000 1.018 378 S CB -0.469 62.844 63.200 0.188 0.000 0.876 378 S HN 0.551 nan 8.310 nan 0.000 0.448 379 W N 1.864 123.253 121.300 0.148 0.000 2.335 379 W HA -0.117 4.544 4.660 0.001 0.000 0.311 379 W C 1.812 178.358 176.519 0.044 0.000 1.213 379 W CA 1.880 59.297 57.345 0.120 0.000 1.274 379 W CB -0.481 29.093 29.460 0.190 0.000 1.148 379 W HN 0.334 nan 8.180 nan 0.000 0.498 380 I N 0.184 120.860 120.570 0.177 0.000 2.179 380 I HA -0.345 3.825 4.170 0.001 0.000 0.242 380 I C 2.330 178.370 176.117 -0.128 0.000 1.088 380 I CA 1.464 62.728 61.300 -0.061 0.000 1.357 380 I CB -0.921 37.155 38.000 0.127 0.000 1.051 380 I HN -0.010 nan 8.210 nan 0.000 0.409 381 L N 0.397 121.610 121.223 -0.016 0.000 2.291 381 L HA -0.108 4.232 4.340 0.001 0.000 0.214 381 L C 1.582 178.417 176.870 -0.058 0.000 1.120 381 L CA 0.871 55.711 54.840 -0.001 0.000 0.799 381 L CB -0.510 41.584 42.059 0.059 0.000 0.925 381 L HN 0.320 nan 8.230 nan 0.000 0.446 382 N N 0.497 119.131 118.700 -0.111 0.000 2.314 382 N HA 0.054 4.794 4.740 0.001 0.000 0.200 382 N C 0.779 176.149 175.510 -0.233 0.000 1.135 382 N CA 0.160 53.130 53.050 -0.132 0.000 0.835 382 N CB 0.321 38.761 38.487 -0.078 0.000 0.989 382 N HN 0.188 nan 8.380 nan 0.000 0.478 383 G N 2.087 110.699 108.800 -0.312 0.000 2.432 383 G HA2 0.053 4.013 3.960 0.001 0.000 0.239 383 G HA3 0.053 4.013 3.960 0.001 0.000 0.239 383 G C -1.129 173.638 174.900 -0.221 0.000 1.291 383 G CA -0.671 44.225 45.100 -0.340 0.000 0.863 383 G HN 0.081 nan 8.290 nan 0.000 0.560 384 P HA -0.035 nan 4.420 nan 0.000 0.237 384 P C 0.555 177.724 177.300 -0.219 0.000 1.178 384 P CA 0.752 63.749 63.100 -0.173 0.000 0.766 384 P CB 0.340 31.955 31.700 -0.142 0.000 0.876 385 N N -1.223 117.289 118.700 -0.313 0.000 2.205 385 N HA 0.058 4.799 4.740 0.001 0.000 0.201 385 N C 0.700 175.823 175.510 -0.646 0.000 1.128 385 N CA -0.378 52.321 53.050 -0.584 0.000 0.867 385 N CB 0.057 37.983 38.487 -0.934 0.000 0.996 385 N HN 0.037 nan 8.380 nan 0.000 0.503 386 N N 0.000 118.517 118.700 -0.304 0.000 1.763 386 N HA 0.000 4.741 4.740 0.001 0.000 0.220 386 N CA 0.000 52.973 53.050 -0.129 0.000 0.885 386 N CB 0.000 38.461 38.487 -0.043 0.000 1.341 386 N HN 0.000 nan 8.380 nan 0.000 0.667