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 1ult_1_B DATA FIRST_RESID 7 DATA SEQUENCE NAFPSTMMDE ELNLWDFLER AAALFGRKEV VSRLHTGEVH RTTYAEVYQR DATA SEQUENCE ARRLMGGLRA LGVGVGDRVA TLGFNHFRHL EAYFAVPGMG AVLHTANPRL DATA SEQUENCE SPKEIAYILN HAEDKVLLFD PNLLPLVEAI RGELKTVQHF VVMDEKAPEG DATA SEQUENCE YLAYEEALGE EADPVRVPER AACGMAYTTG TTGLPKGVVY SHRALVLHSL DATA SEQUENCE AASLVDGTAL SEKDVVLPVV PMFHVNAWCL PYAATLVGAK QVLPGPRLDP DATA SEQUENCE ASLVELFDGE GVTFTAGVPT VWLALADYLE STGHRLKTLR RLVVGGSAAP DATA SEQUENCE RSLIARFERM GVEVRQGYGL TETSPVVVQN FVKSHLESLS EEEKLTLKAK DATA SEQUENCE TGLPIPLVRL RVADEEGRPV PKDGKALGEV QLKGPWITGG YYGNEEATRS DATA SEQUENCE ALTPDGFFRT GDIAVWDEEG YVEIKDRLKD LIKSGGEWIS SVDLENALMG DATA SEQUENCE HPKVKEAAVV AIPHXXXXXR PLAVVVXXXE KPTPEELNEH LLKAGXXXXX DATA SEQUENCE XXDAYVFAEE IPRTXXXXFL KRALREQYKN YYG 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 7 N HA 0.000 nan 4.740 nan 0.000 0.220 7 N C 0.000 175.557 175.510 0.078 0.000 1.280 7 N CA 0.000 53.080 53.050 0.050 0.000 0.885 7 N CB 0.000 38.513 38.487 0.044 0.000 1.341 8 A N 0.992 123.853 122.820 0.069 0.000 2.567 8 A HA 0.175 4.502 4.320 0.011 0.000 0.240 8 A C -0.164 177.507 177.584 0.144 0.000 1.053 8 A CA 0.286 52.380 52.037 0.095 0.000 0.755 8 A CB -0.487 18.548 19.000 0.059 0.000 0.978 8 A HN 0.471 nan 8.150 nan 0.000 0.507 9 F N 4.107 124.058 119.950 0.001 0.000 2.495 9 F HA 0.454 4.987 4.527 0.011 0.000 0.365 9 F C -1.621 174.180 175.800 0.000 0.000 1.090 9 F CA -1.935 56.066 58.000 0.001 0.000 1.235 9 F CB 0.244 39.245 39.000 0.001 0.000 1.119 9 F HN 0.433 nan 8.300 nan 0.000 0.562 10 P HA 0.247 nan 4.420 nan 0.000 0.275 10 P C -1.049 176.028 177.300 -0.372 0.000 1.228 10 P CA -0.449 62.455 63.100 -0.326 0.000 0.786 10 P CB 0.971 32.482 31.700 -0.316 0.000 0.927 11 S N -0.479 115.120 115.700 -0.168 0.000 2.745 11 S HA 0.441 4.917 4.470 0.011 0.000 0.292 11 S C 0.760 175.299 174.600 -0.102 0.000 1.133 11 S CA 0.097 58.237 58.200 -0.100 0.000 0.998 11 S CB 0.825 64.010 63.200 -0.025 0.000 1.087 11 S HN 0.532 nan 8.310 nan 0.000 0.551 12 T N -1.556 112.963 114.554 -0.057 0.000 3.092 12 T HA 0.330 4.687 4.350 0.011 0.000 0.258 12 T C 0.492 175.176 174.700 -0.027 0.000 1.031 12 T CA -0.529 61.543 62.100 -0.047 0.000 0.925 12 T CB -0.306 68.543 68.868 -0.031 0.000 1.036 12 T HN 0.464 nan 8.240 nan 0.000 0.544 13 M N 3.299 122.888 119.600 -0.020 0.000 2.239 13 M HA 0.308 4.794 4.480 0.011 0.000 0.348 13 M C 0.690 176.981 176.300 -0.014 0.000 1.239 13 M CA -0.132 55.162 55.300 -0.010 0.000 1.114 13 M CB 0.367 32.965 32.600 -0.003 0.000 1.641 13 M HN 0.491 nan 8.290 nan 0.000 0.453 14 M N 1.055 120.649 119.600 -0.010 0.000 2.245 14 M HA 0.208 4.694 4.480 0.011 0.000 0.330 14 M C -0.379 175.914 176.300 -0.011 0.000 1.098 14 M CA 0.241 55.535 55.300 -0.012 0.000 1.172 14 M CB 0.248 32.844 32.600 -0.008 0.000 1.467 14 M HN 0.363 nan 8.290 nan 0.000 0.454 15 D N 3.164 123.556 120.400 -0.015 0.000 2.338 15 D HA 0.200 4.846 4.640 0.011 0.000 0.255 15 D C -0.550 175.743 176.300 -0.013 0.000 1.237 15 D CA 0.399 54.390 54.000 -0.015 0.000 0.883 15 D CB 0.602 41.391 40.800 -0.018 0.000 1.087 15 D HN 0.679 nan 8.370 nan 0.000 0.485 16 E N 1.163 121.357 120.200 -0.011 0.000 2.429 16 E HA 0.523 4.880 4.350 0.011 0.000 0.276 16 E C -0.780 175.812 176.600 -0.015 0.000 0.953 16 E CA -0.949 55.444 56.400 -0.011 0.000 0.787 16 E CB 1.565 31.264 29.700 -0.002 0.000 1.307 16 E HN -0.008 nan 8.360 nan 0.000 0.458 17 E N 0.794 120.980 120.200 -0.023 0.000 2.277 17 E HA 0.452 4.808 4.350 0.011 0.000 0.266 17 E C -0.372 176.207 176.600 -0.036 0.000 0.901 17 E CA -0.862 55.517 56.400 -0.035 0.000 0.782 17 E CB 2.020 31.683 29.700 -0.062 0.000 1.228 17 E HN 0.474 nan 8.360 nan 0.000 0.424 18 L N 1.716 122.920 121.223 -0.032 0.000 2.350 18 L HA 0.376 4.723 4.340 0.011 0.000 0.275 18 L C 0.113 176.930 176.870 -0.090 0.000 1.099 18 L CA -0.320 54.501 54.840 -0.032 0.000 0.808 18 L CB 0.415 42.473 42.059 -0.001 0.000 1.149 18 L HN 0.470 nan 8.230 nan 0.000 0.442 19 N N 0.793 119.426 118.700 -0.112 0.000 2.455 19 N HA 0.270 5.017 4.740 0.011 0.000 0.285 19 N C 0.412 175.859 175.510 -0.105 0.000 1.080 19 N CA -0.562 52.404 53.050 -0.138 0.000 0.932 19 N CB 1.390 39.779 38.487 -0.162 0.000 1.610 19 N HN 0.518 nan 8.380 nan 0.000 0.493 20 L N 1.666 122.911 121.223 0.037 0.000 2.081 20 L HA -0.184 4.162 4.340 0.011 0.000 0.212 20 L C 1.980 178.889 176.870 0.065 0.000 1.080 20 L CA 1.304 55.971 54.840 -0.288 0.000 0.754 20 L CB -0.252 41.610 42.059 -0.328 0.000 0.893 20 L HN 0.727 nan 8.230 nan 0.000 0.433 21 W N 1.693 123.071 121.300 0.129 0.000 2.350 21 W HA -0.239 4.427 4.660 0.011 0.000 0.289 21 W C 1.757 178.352 176.519 0.126 0.000 1.215 21 W CA 1.731 59.208 57.345 0.220 0.000 1.236 21 W CB -0.131 29.428 29.460 0.166 0.000 1.130 21 W HN 0.318 nan 8.180 nan 0.000 0.541 22 D N 0.175 120.618 120.400 0.071 0.000 2.182 22 D HA -0.200 4.447 4.640 0.011 0.000 0.201 22 D C 1.915 178.259 176.300 0.073 0.000 0.986 22 D CA 1.369 55.392 54.000 0.039 0.000 0.847 22 D CB -0.913 39.933 40.800 0.077 0.000 0.942 22 D HN 0.082 nan 8.370 nan 0.000 0.467 23 F N 0.415 120.327 119.950 -0.063 0.000 2.102 23 F HA -0.089 4.444 4.527 0.011 0.000 0.298 23 F C 2.285 177.865 175.800 -0.367 0.000 1.105 23 F CA 0.320 58.262 58.000 -0.096 0.000 1.239 23 F CB -1.200 37.888 39.000 0.147 0.000 0.991 23 F HN 0.005 nan 8.300 nan 0.000 0.474 24 L N 0.378 121.298 121.223 -0.505 0.000 2.056 24 L HA -0.134 4.213 4.340 0.011 0.000 0.207 24 L C 2.300 178.776 176.870 -0.658 0.000 1.078 24 L CA 1.731 56.064 54.840 -0.846 0.000 0.749 24 L CB -0.965 40.236 42.059 -1.430 0.000 0.901 24 L HN 0.216 nan 8.230 nan 0.000 0.433 25 E N -0.480 119.320 120.200 -0.666 0.000 2.051 25 E HA -0.309 4.048 4.350 0.011 0.000 0.192 25 E C 2.430 178.756 176.600 -0.457 0.000 0.991 25 E CA 1.298 57.332 56.400 -0.611 0.000 0.799 25 E CB -0.169 29.381 29.700 -0.251 0.000 0.748 25 E HN 0.458 nan 8.360 nan 0.000 0.449 26 R N 0.033 120.365 120.500 -0.280 0.000 2.081 26 R HA -0.140 4.207 4.340 0.011 0.000 0.235 26 R C 2.202 178.345 176.300 -0.262 0.000 1.131 26 R CA 1.353 57.326 56.100 -0.211 0.000 0.960 26 R CB -0.284 29.967 30.300 -0.081 0.000 0.856 26 R HN 0.204 nan 8.270 nan 0.000 0.436 27 A N 0.589 123.249 122.820 -0.268 0.000 1.930 27 A HA -0.057 4.269 4.320 0.011 0.000 0.217 27 A C 2.327 179.781 177.584 -0.217 0.000 1.175 27 A CA 1.540 53.432 52.037 -0.242 0.000 0.627 27 A CB -0.674 17.935 19.000 -0.652 0.000 0.815 27 A HN 0.537 nan 8.150 nan 0.000 0.443 28 A N -0.341 122.277 122.820 -0.336 0.000 1.930 28 A HA 0.238 4.565 4.320 0.011 0.000 0.217 28 A C 2.429 179.851 177.584 -0.270 0.000 1.175 28 A CA 1.881 53.737 52.037 -0.302 0.000 0.627 28 A CB -0.770 17.805 19.000 -0.707 0.000 0.815 28 A HN 0.943 nan 8.150 nan 0.000 0.443 29 A N -0.585 122.034 122.820 -0.336 0.000 1.898 29 A HA 0.196 4.523 4.320 0.011 0.000 0.214 29 A C 2.012 179.404 177.584 -0.320 0.000 1.183 29 A CA 1.299 53.170 52.037 -0.277 0.000 0.622 29 A CB -0.336 18.510 19.000 -0.257 0.000 0.824 29 A HN 0.438 nan 8.150 nan 0.000 0.444 30 L N -2.817 118.096 121.223 -0.517 0.000 2.515 30 L HA 0.237 4.583 4.340 0.011 0.000 0.223 30 L C 0.264 176.572 176.870 -0.936 0.000 1.079 30 L CA 0.326 54.655 54.840 -0.852 0.000 0.857 30 L CB 0.176 41.408 42.059 -1.379 0.000 1.050 30 L HN 0.347 nan 8.230 nan 0.000 0.476 31 F N -0.889 119.014 119.950 -0.078 0.000 2.790 31 F HA 0.387 4.921 4.527 0.011 0.000 0.371 31 F C 1.721 177.567 175.800 0.076 0.000 1.293 31 F CA -0.626 57.369 58.000 -0.009 0.000 1.205 31 F CB -0.518 38.465 39.000 -0.029 0.000 1.047 31 F HN -0.168 nan 8.300 nan 0.000 0.510 32 G N 0.622 109.489 108.800 0.111 0.000 2.485 32 G HA2 -0.248 3.718 3.960 0.011 0.000 0.221 32 G HA3 -0.248 3.718 3.960 0.011 0.000 0.221 32 G C 1.751 176.735 174.900 0.139 0.000 1.115 32 G CA 0.686 45.858 45.100 0.120 0.000 0.751 32 G HN 0.335 nan 8.290 nan 0.000 0.567 33 R N -0.368 120.204 120.500 0.121 0.000 2.317 33 R HA 0.119 4.465 4.340 0.011 0.000 0.208 33 R C 0.210 176.554 176.300 0.073 0.000 0.914 33 R CA -0.202 55.945 56.100 0.077 0.000 1.060 33 R CB 0.219 30.550 30.300 0.052 0.000 1.015 33 R HN 0.064 nan 8.270 nan 0.000 0.498 34 K N 2.155 122.644 120.400 0.148 0.000 2.382 34 K HA 0.034 4.361 4.320 0.011 0.000 0.275 34 K C 0.096 176.650 176.600 -0.077 0.000 1.009 34 K CA 0.497 56.841 56.287 0.095 0.000 0.970 34 K CB 0.510 33.155 32.500 0.241 0.000 0.934 34 K HN 0.177 nan 8.250 nan 0.000 0.479 35 E N 0.711 120.847 120.200 -0.107 0.000 2.349 35 E HA 0.254 4.611 4.350 0.011 0.000 0.265 35 E C -0.601 175.850 176.600 -0.249 0.000 1.064 35 E CA -0.682 55.617 56.400 -0.168 0.000 0.886 35 E CB 1.267 30.904 29.700 -0.106 0.000 1.036 35 E HN 0.073 nan 8.360 nan 0.000 0.413 36 V N 3.158 122.932 119.914 -0.233 0.000 2.357 36 V HA 0.171 4.298 4.120 0.011 0.000 0.281 36 V C -0.464 175.581 176.094 -0.081 0.000 1.015 36 V CA -0.680 61.516 62.300 -0.174 0.000 0.827 36 V CB 1.399 33.117 31.823 -0.174 0.000 1.018 36 V HN 0.380 nan 8.190 nan 0.000 0.432 37 V N 3.736 123.619 119.914 -0.052 0.000 2.539 37 V HA 0.660 4.787 4.120 0.011 0.000 0.292 37 V C 0.229 176.346 176.094 0.038 0.000 1.045 37 V CA -0.118 62.163 62.300 -0.032 0.000 0.945 37 V CB 2.013 33.809 31.823 -0.045 0.000 0.993 37 V HN 0.857 nan 8.190 nan 0.000 0.464 38 S N 3.633 119.382 115.700 0.082 0.000 2.571 38 S HA 0.532 5.009 4.470 0.011 0.000 0.284 38 S C -0.614 174.058 174.600 0.119 0.000 1.128 38 S CA -0.759 57.534 58.200 0.155 0.000 0.970 38 S CB 1.771 65.176 63.200 0.342 0.000 1.039 38 S HN 0.716 nan 8.310 nan 0.000 0.485 39 R N 3.453 124.005 120.500 0.087 0.000 2.229 39 R HA 0.471 4.818 4.340 0.011 0.000 0.332 39 R C -0.654 175.692 176.300 0.076 0.000 0.989 39 R CA -0.436 55.693 56.100 0.047 0.000 0.842 39 R CB 0.227 30.524 30.300 -0.003 0.000 1.119 39 R HN 0.623 nan 8.270 nan 0.000 0.456 40 L N 3.156 124.418 121.223 0.064 0.000 2.479 40 L HA 0.132 4.478 4.340 0.011 0.000 0.248 40 L C 1.844 178.728 176.870 0.023 0.000 1.205 40 L CA -0.243 54.638 54.840 0.068 0.000 0.817 40 L CB 0.412 42.491 42.059 0.033 0.000 1.162 40 L HN 0.801 nan 8.230 nan 0.000 0.486 41 H N -1.901 117.156 119.070 -0.023 0.000 2.457 41 H HA -0.147 4.416 4.556 0.011 0.000 0.297 41 H C 1.713 177.013 175.328 -0.047 0.000 1.092 41 H CA 1.387 57.403 56.048 -0.053 0.000 1.309 41 H CB -0.482 29.252 29.762 -0.048 0.000 1.382 41 H HN 0.743 nan 8.280 nan 0.000 0.535 42 T N -3.801 110.348 114.554 -0.676 0.000 3.035 42 T HA 0.183 4.539 4.350 0.011 0.000 0.268 42 T C 1.957 176.532 174.700 -0.209 0.000 1.109 42 T CA 0.687 62.504 62.100 -0.472 0.000 1.119 42 T CB -0.275 68.334 68.868 -0.433 0.000 0.900 42 T HN 0.828 nan 8.240 nan 0.000 0.503 43 G N 1.696 110.408 108.800 -0.147 0.000 2.195 43 G HA2 -0.236 3.731 3.960 0.011 0.000 0.224 43 G HA3 -0.236 3.731 3.960 0.011 0.000 0.224 43 G C -0.094 174.769 174.900 -0.063 0.000 0.990 43 G CA 0.077 45.125 45.100 -0.087 0.000 0.639 43 G HN 1.026 nan 8.290 nan 0.000 0.514 44 E N 0.408 120.568 120.200 -0.066 0.000 2.390 44 E HA 0.500 4.856 4.350 0.011 0.000 0.261 44 E C -0.391 176.205 176.600 -0.007 0.000 1.076 44 E CA -0.515 55.864 56.400 -0.036 0.000 0.905 44 E CB 1.663 31.343 29.700 -0.033 0.000 0.984 44 E HN 0.241 nan 8.360 nan 0.000 0.427 45 V N 3.643 123.553 119.914 -0.006 0.000 2.328 45 V HA 0.095 4.221 4.120 0.011 0.000 0.278 45 V C 0.011 176.104 176.094 -0.002 0.000 1.021 45 V CA -0.644 61.657 62.300 0.000 0.000 0.838 45 V CB 0.665 32.472 31.823 -0.026 0.000 0.999 45 V HN 0.651 nan 8.190 nan 0.000 0.447 46 H N 6.833 125.853 119.070 -0.084 0.000 2.467 46 H HA 0.582 5.145 4.556 0.011 0.000 0.331 46 H C -0.581 174.618 175.328 -0.216 0.000 1.120 46 H CA -0.670 55.272 56.048 -0.177 0.000 1.270 46 H CB 1.173 30.777 29.762 -0.265 0.000 1.466 46 H HN 0.587 nan 8.280 nan 0.000 0.504 47 R N 2.929 122.922 120.500 -0.845 0.000 2.599 47 R HA 0.391 4.737 4.340 0.011 0.000 0.295 47 R C -0.545 175.372 176.300 -0.638 0.000 0.963 47 R CA -0.820 54.957 56.100 -0.539 0.000 0.883 47 R CB 2.294 32.405 30.300 -0.316 0.000 1.171 47 R HN 0.653 nan 8.270 nan 0.000 0.450 48 T N 0.024 114.376 114.554 -0.336 0.000 2.626 48 T HA 0.570 4.927 4.350 0.011 0.000 0.299 48 T C -1.215 173.403 174.700 -0.136 0.000 1.181 48 T CA -0.360 61.622 62.100 -0.197 0.000 1.053 48 T CB 1.844 70.668 68.868 -0.072 0.000 1.566 48 T HN 0.750 nan 8.240 nan 0.000 0.486 49 T N -0.865 113.641 114.554 -0.080 0.000 2.841 49 T HA 0.528 4.884 4.350 0.011 0.000 0.296 49 T C 0.083 174.755 174.700 -0.048 0.000 1.166 49 T CA -0.592 61.446 62.100 -0.103 0.000 1.007 49 T CB 0.739 69.593 68.868 -0.024 0.000 1.253 49 T HN 0.496 nan 8.240 nan 0.000 0.511 50 Y N 0.809 121.146 120.300 0.061 0.000 2.165 50 Y HA 0.029 4.586 4.550 0.011 0.000 0.286 50 Y C 3.055 178.999 175.900 0.072 0.000 1.155 50 Y CA 1.932 60.064 58.100 0.053 0.000 1.164 50 Y CB -1.139 37.335 38.460 0.024 0.000 0.978 50 Y HN 0.894 nan 8.280 nan 0.000 0.513 51 A N -0.183 122.765 122.820 0.212 0.000 1.883 51 A HA -0.262 4.064 4.320 0.011 0.000 0.217 51 A C 2.223 179.941 177.584 0.224 0.000 1.186 51 A CA 2.032 54.177 52.037 0.180 0.000 0.624 51 A CB -0.725 18.345 19.000 0.117 0.000 0.822 51 A HN 0.519 nan 8.150 nan 0.000 0.444 52 E N -0.560 119.741 120.200 0.168 0.000 2.072 52 E HA -0.102 4.255 4.350 0.011 0.000 0.191 52 E C 1.971 178.700 176.600 0.214 0.000 0.985 52 E CA 1.165 57.663 56.400 0.164 0.000 0.801 52 E CB -0.096 29.673 29.700 0.115 0.000 0.750 52 E HN 0.347 nan 8.360 nan 0.000 0.452 53 V N 0.802 120.854 119.914 0.231 0.000 2.392 53 V HA -0.266 3.860 4.120 0.011 0.000 0.249 53 V C 2.046 178.311 176.094 0.285 0.000 1.059 53 V CA 1.919 64.386 62.300 0.279 0.000 1.051 53 V CB -0.603 31.387 31.823 0.278 0.000 0.658 53 V HN 0.400 nan 8.190 nan 0.000 0.455 54 Y N 0.854 121.225 120.300 0.119 0.000 2.163 54 Y HA -0.233 4.324 4.550 0.011 0.000 0.288 54 Y C 2.749 178.763 175.900 0.190 0.000 1.136 54 Y CA 2.249 60.390 58.100 0.069 0.000 1.147 54 Y CB -0.405 38.053 38.460 -0.004 0.000 0.987 54 Y HN 0.221 nan 8.280 nan 0.000 0.509 55 Q N 0.865 120.737 119.800 0.119 0.000 2.079 55 Q HA -0.200 4.147 4.340 0.011 0.000 0.200 55 Q C 2.214 178.250 176.000 0.060 0.000 0.974 55 Q CA 1.769 57.588 55.803 0.027 0.000 0.840 55 Q CB -0.230 28.578 28.738 0.118 0.000 0.898 55 Q HN 0.536 nan 8.270 nan 0.000 0.430 56 R N -0.254 120.330 120.500 0.141 0.000 2.115 56 R HA 0.006 4.353 4.340 0.011 0.000 0.226 56 R C 2.369 178.772 176.300 0.171 0.000 1.100 56 R CA 0.964 57.162 56.100 0.164 0.000 0.980 56 R CB -0.250 30.197 30.300 0.246 0.000 0.875 56 R HN 0.298 nan 8.270 nan 0.000 0.445 57 A N 1.084 124.041 122.820 0.229 0.000 1.930 57 A HA -0.152 4.174 4.320 0.011 0.000 0.217 57 A C 2.012 179.740 177.584 0.241 0.000 1.175 57 A CA 1.120 53.349 52.037 0.319 0.000 0.627 57 A CB -0.274 19.014 19.000 0.479 0.000 0.815 57 A HN 0.188 nan 8.150 nan 0.000 0.443 58 R N -0.708 119.879 120.500 0.146 0.000 2.115 58 R HA -0.042 4.305 4.340 0.011 0.000 0.230 58 R C 2.350 178.633 176.300 -0.029 0.000 1.111 58 R CA 1.381 57.478 56.100 -0.005 0.000 0.976 58 R CB -0.212 30.023 30.300 -0.108 0.000 0.870 58 R HN 0.482 nan 8.270 nan 0.000 0.445 59 R N 0.014 120.512 120.500 -0.002 0.000 2.115 59 R HA -0.064 4.282 4.340 0.011 0.000 0.226 59 R C 2.056 178.324 176.300 -0.054 0.000 1.100 59 R CA 0.656 56.740 56.100 -0.026 0.000 0.980 59 R CB -0.252 30.042 30.300 -0.010 0.000 0.875 59 R HN 0.104 nan 8.270 nan 0.000 0.445 60 L N 0.808 122.014 121.223 -0.030 0.000 2.093 60 L HA -0.063 4.284 4.340 0.011 0.000 0.208 60 L C 2.019 178.856 176.870 -0.055 0.000 1.085 60 L CA 1.618 56.412 54.840 -0.077 0.000 0.755 60 L CB -0.211 41.847 42.059 -0.001 0.000 0.904 60 L HN 0.128 nan 8.230 nan 0.000 0.435 61 M N -1.316 118.264 119.600 -0.033 0.000 2.175 61 M HA -0.100 4.387 4.480 0.011 0.000 0.264 61 M C 2.127 178.378 176.300 -0.081 0.000 1.063 61 M CA 1.586 56.847 55.300 -0.065 0.000 1.119 61 M CB -1.003 31.518 32.600 -0.131 0.000 1.377 61 M HN 0.436 nan 8.290 nan 0.000 0.415 62 G N 0.002 108.752 108.800 -0.082 0.000 2.404 62 G HA2 -0.128 3.839 3.960 0.011 0.000 0.215 62 G HA3 -0.128 3.839 3.960 0.011 0.000 0.215 62 G C 1.506 176.356 174.900 -0.083 0.000 1.174 62 G CA 0.941 45.994 45.100 -0.078 0.000 0.780 62 G HN 0.544 nan 8.290 nan 0.000 0.537 63 G N 0.870 109.612 108.800 -0.097 0.000 2.418 63 G HA2 -0.159 3.807 3.960 0.011 0.000 0.217 63 G HA3 -0.159 3.807 3.960 0.011 0.000 0.217 63 G C 1.821 176.646 174.900 -0.124 0.000 1.158 63 G CA 0.752 45.781 45.100 -0.118 0.000 0.771 63 G HN 0.412 nan 8.290 nan 0.000 0.545 64 L N -0.294 120.865 121.223 -0.107 0.000 2.083 64 L HA -0.028 4.319 4.340 0.011 0.000 0.209 64 L C 2.929 179.750 176.870 -0.083 0.000 1.083 64 L CA 1.227 56.012 54.840 -0.091 0.000 0.752 64 L CB -0.331 41.697 42.059 -0.052 0.000 0.899 64 L HN 0.207 nan 8.230 nan 0.000 0.433 65 R N 0.400 120.855 120.500 -0.075 0.000 2.081 65 R HA -0.153 4.193 4.340 0.011 0.000 0.235 65 R C 2.329 178.588 176.300 -0.068 0.000 1.131 65 R CA 1.398 57.459 56.100 -0.064 0.000 0.960 65 R CB -0.258 30.003 30.300 -0.064 0.000 0.856 65 R HN 0.312 nan 8.270 nan 0.000 0.436 66 A N 0.587 123.358 122.820 -0.082 0.000 2.076 66 A HA -0.084 4.242 4.320 0.011 0.000 0.220 66 A C 1.839 179.356 177.584 -0.112 0.000 1.160 66 A CA 1.039 53.025 52.037 -0.084 0.000 0.653 66 A CB -0.323 18.624 19.000 -0.087 0.000 0.801 66 A HN 0.369 nan 8.150 nan 0.000 0.455 67 L N -1.358 119.769 121.223 -0.160 0.000 2.629 67 L HA 0.245 4.592 4.340 0.011 0.000 0.230 67 L C 1.552 178.371 176.870 -0.085 0.000 1.151 67 L CA 0.456 55.133 54.840 -0.271 0.000 0.924 67 L CB -0.158 41.630 42.059 -0.452 0.000 1.137 67 L HN 0.559 nan 8.230 nan 0.000 0.457 68 G N -0.139 108.638 108.800 -0.038 0.000 2.175 68 G HA2 -0.245 3.722 3.960 0.011 0.000 0.244 68 G HA3 -0.245 3.722 3.960 0.011 0.000 0.244 68 G C 0.243 175.145 174.900 0.003 0.000 0.982 68 G CA -0.069 45.034 45.100 0.006 0.000 0.641 68 G HN 0.097 nan 8.290 nan 0.000 0.527 69 V N 1.132 121.038 119.914 -0.013 0.000 2.508 69 V HA 0.606 4.733 4.120 0.011 0.000 0.281 69 V C 1.153 177.236 176.094 -0.018 0.000 1.041 69 V CA 0.786 63.080 62.300 -0.010 0.000 1.016 69 V CB 1.099 32.914 31.823 -0.013 0.000 0.984 69 V HN 0.808 nan 8.190 nan 0.000 0.478 70 G N 3.139 111.931 108.800 -0.015 0.000 2.816 70 G HA2 0.562 4.528 3.960 0.011 0.000 0.288 70 G HA3 0.562 4.528 3.960 0.011 0.000 0.288 70 G C -0.719 174.170 174.900 -0.019 0.000 1.334 70 G CA -0.863 44.225 45.100 -0.020 0.000 0.978 70 G HN 0.492 nan 8.290 nan 0.000 0.493 71 V N 0.843 120.744 119.914 -0.022 0.000 2.681 71 V HA 0.303 4.429 4.120 0.011 0.000 0.306 71 V C 1.792 177.876 176.094 -0.018 0.000 1.077 71 V CA 2.336 64.624 62.300 -0.019 0.000 1.224 71 V CB 0.432 32.242 31.823 -0.023 0.000 0.879 71 V HN 2.076 nan 8.190 nan 0.000 0.494 72 G N 3.733 112.524 108.800 -0.016 0.000 2.253 72 G HA2 -0.210 3.757 3.960 0.011 0.000 0.251 72 G HA3 -0.210 3.757 3.960 0.011 0.000 0.251 72 G C 0.028 174.907 174.900 -0.035 0.000 0.998 72 G CA 0.160 45.243 45.100 -0.029 0.000 0.621 72 G HN 0.685 nan 8.290 nan 0.000 0.524 73 D N 0.781 121.168 120.400 -0.023 0.000 2.372 73 D HA 0.518 5.165 4.640 0.011 0.000 0.243 73 D C 0.910 177.201 176.300 -0.014 0.000 1.121 73 D CA 0.031 54.019 54.000 -0.019 0.000 0.898 73 D CB 0.641 41.436 40.800 -0.008 0.000 1.202 73 D HN 0.184 nan 8.370 nan 0.000 0.428 74 R N 0.363 120.856 120.500 -0.011 0.000 2.349 74 R HA 0.517 4.863 4.340 0.011 0.000 0.299 74 R C -0.692 175.632 176.300 0.040 0.000 1.027 74 R CA -0.542 55.567 56.100 0.015 0.000 0.958 74 R CB 1.141 31.453 30.300 0.019 0.000 1.047 74 R HN 0.098 nan 8.270 nan 0.000 0.468 75 V N 2.397 122.347 119.914 0.061 0.000 2.531 75 V HA 0.726 4.852 4.120 0.011 0.000 0.301 75 V C -0.356 175.788 176.094 0.084 0.000 1.034 75 V CA -0.879 61.456 62.300 0.057 0.000 0.865 75 V CB 1.784 33.640 31.823 0.054 0.000 0.995 75 V HN 0.911 nan 8.190 nan 0.000 0.424 76 A N 3.536 126.386 122.820 0.050 0.000 2.311 76 A HA 0.982 5.308 4.320 0.011 0.000 0.334 76 A C 0.111 177.693 177.584 -0.003 0.000 1.139 76 A CA -0.351 51.689 52.037 0.005 0.000 0.830 76 A CB 1.570 20.509 19.000 -0.101 0.000 1.234 76 A HN 0.954 nan 8.150 nan 0.000 0.483 77 T N -1.069 113.468 114.554 -0.030 0.000 2.893 77 T HA 0.672 5.029 4.350 0.011 0.000 0.291 77 T C -0.844 173.794 174.700 -0.104 0.000 1.028 77 T CA -0.492 61.575 62.100 -0.055 0.000 0.995 77 T CB 1.102 69.920 68.868 -0.083 0.000 1.051 77 T HN 0.488 nan 8.240 nan 0.000 0.470 78 L N 2.172 123.333 121.223 -0.103 0.000 2.481 78 L HA 0.679 5.025 4.340 0.011 0.000 0.255 78 L C 0.222 177.006 176.870 -0.142 0.000 1.192 78 L CA -0.314 54.442 54.840 -0.140 0.000 0.924 78 L CB 0.682 42.703 42.059 -0.063 0.000 1.179 78 L HN 1.168 nan 8.230 nan 0.000 0.491 79 G N 0.492 109.143 108.800 -0.248 0.000 2.606 79 G HA2 0.544 4.511 3.960 0.011 0.000 0.300 79 G HA3 0.544 4.511 3.960 0.011 0.000 0.300 79 G C -1.633 173.136 174.900 -0.217 0.000 1.360 79 G CA -0.468 44.519 45.100 -0.188 0.000 0.783 79 G HN 0.037 nan 8.290 nan 0.000 0.484 80 F N -0.421 119.620 119.950 0.151 0.000 2.535 80 F HA 0.453 4.986 4.527 0.011 0.000 0.367 80 F C 0.472 176.196 175.800 -0.126 0.000 1.096 80 F CA -1.030 57.054 58.000 0.140 0.000 1.088 80 F CB 0.965 40.057 39.000 0.153 0.000 1.387 80 F HN 0.130 nan 8.300 nan 0.000 0.494 81 N N 0.947 119.688 118.700 0.069 0.000 2.405 81 N HA 0.264 5.011 4.740 0.011 0.000 0.260 81 N C -1.102 174.365 175.510 -0.072 0.000 1.152 81 N CA -0.084 52.882 53.050 -0.141 0.000 0.948 81 N CB -0.480 37.944 38.487 -0.105 0.000 1.111 81 N HN 0.606 nan 8.380 nan 0.000 0.485 82 H N -1.640 117.471 119.070 0.069 0.000 2.967 82 H HA 0.214 4.777 4.556 0.011 0.000 0.318 82 H C 0.539 175.911 175.328 0.074 0.000 1.375 82 H CA -1.157 54.950 56.048 0.099 0.000 1.132 82 H CB -0.153 29.657 29.762 0.080 0.000 1.848 82 H HN 0.140 nan 8.280 nan 0.000 0.524 83 F N 0.241 120.305 119.950 0.190 0.000 2.154 83 F HA -0.020 4.514 4.527 0.011 0.000 0.301 83 F C 1.874 177.761 175.800 0.145 0.000 1.087 83 F CA 1.256 59.330 58.000 0.123 0.000 1.274 83 F CB -0.615 38.439 39.000 0.089 0.000 1.009 83 F HN 0.390 nan 8.300 nan 0.000 0.485 84 R N -0.567 119.509 120.500 -0.706 0.000 2.092 84 R HA -0.137 4.210 4.340 0.011 0.000 0.231 84 R C 2.255 178.510 176.300 -0.076 0.000 1.119 84 R CA 1.526 57.248 56.100 -0.629 0.000 0.970 84 R CB -0.907 28.649 30.300 -1.241 0.000 0.864 84 R HN 0.547 nan 8.270 nan 0.000 0.440 85 H N 0.026 119.053 119.070 -0.070 0.000 2.423 85 H HA -0.082 4.480 4.556 0.011 0.000 0.297 85 H C 2.044 177.314 175.328 -0.096 0.000 1.075 85 H CA 0.746 56.713 56.048 -0.136 0.000 1.342 85 H CB 0.308 29.797 29.762 -0.455 0.000 1.395 85 H HN 0.036 nan 8.280 nan 0.000 0.530 86 L N 1.256 122.496 121.223 0.028 0.000 2.056 86 L HA -0.130 4.217 4.340 0.011 0.000 0.207 86 L C 1.864 178.940 176.870 0.343 0.000 1.078 86 L CA 1.715 56.586 54.840 0.051 0.000 0.749 86 L CB -0.401 41.741 42.059 0.137 0.000 0.901 86 L HN 0.272 nan 8.230 nan 0.000 0.433 87 E N -0.381 120.032 120.200 0.355 0.000 2.110 87 E HA -0.195 4.162 4.350 0.011 0.000 0.193 87 E C 2.156 179.035 176.600 0.465 0.000 0.988 87 E CA 1.111 57.782 56.400 0.451 0.000 0.804 87 E CB -0.323 29.625 29.700 0.412 0.000 0.745 87 E HN 0.650 nan 8.360 nan 0.000 0.458 88 A N 0.487 123.550 122.820 0.406 0.000 1.930 88 A HA -0.163 4.163 4.320 0.011 0.000 0.217 88 A C 1.833 179.647 177.584 0.383 0.000 1.175 88 A CA 0.935 53.201 52.037 0.381 0.000 0.627 88 A CB -0.780 18.436 19.000 0.359 0.000 0.815 88 A HN 0.321 nan 8.150 nan 0.000 0.443 89 Y N -1.949 118.426 120.300 0.124 0.000 2.241 89 Y HA -0.264 4.292 4.550 0.011 0.000 0.286 89 Y C 1.914 177.789 175.900 -0.041 0.000 1.166 89 Y CA 1.488 59.535 58.100 -0.088 0.000 1.203 89 Y CB -0.106 38.071 38.460 -0.472 0.000 0.977 89 Y HN 0.403 nan 8.280 nan 0.000 0.529 90 F N -2.343 117.905 119.950 0.496 0.000 2.453 90 F HA 0.140 4.673 4.527 0.011 0.000 0.284 90 F C 2.250 178.400 175.800 0.583 0.000 1.065 90 F CA 0.588 58.906 58.000 0.530 0.000 1.411 90 F CB -0.938 38.321 39.000 0.432 0.000 1.131 90 F HN -0.114 nan 8.300 nan 0.000 0.582 91 A N 0.303 123.508 122.820 0.642 0.000 1.865 91 A HA -0.134 4.192 4.320 0.011 0.000 0.217 91 A C 2.298 180.023 177.584 0.234 0.000 1.191 91 A CA 2.258 54.543 52.037 0.413 0.000 0.623 91 A CB -1.235 17.945 19.000 0.299 0.000 0.826 91 A HN 0.133 nan 8.150 nan 0.000 0.444 92 V N 0.452 120.491 119.914 0.208 0.000 2.255 92 V HA -0.179 3.948 4.120 0.011 0.000 0.247 92 V C -0.104 176.057 176.094 0.111 0.000 1.051 92 V CA 2.584 64.957 62.300 0.122 0.000 1.018 92 V CB -1.699 30.186 31.823 0.102 0.000 0.641 92 V HN 0.384 nan 8.190 nan 0.000 0.445 93 P HA -0.063 nan 4.420 nan 0.000 0.217 93 P C 1.680 179.148 177.300 0.281 0.000 1.151 93 P CA 1.696 64.872 63.100 0.127 0.000 0.828 93 P CB -0.317 31.375 31.700 -0.013 0.000 0.788 94 G N 0.484 109.473 108.800 0.316 0.000 2.470 94 G HA2 -0.225 3.741 3.960 0.011 0.000 0.220 94 G HA3 -0.225 3.741 3.960 0.011 0.000 0.220 94 G C 1.227 176.045 174.900 -0.135 0.000 1.121 94 G CA 0.830 46.017 45.100 0.146 0.000 0.766 94 G HN 0.368 nan 8.290 nan 0.000 0.553 95 M N -1.403 118.160 119.600 -0.061 0.000 2.383 95 M HA 0.487 4.974 4.480 0.011 0.000 0.247 95 M C 1.319 177.596 176.300 -0.039 0.000 1.117 95 M CA 0.713 55.954 55.300 -0.098 0.000 0.995 95 M CB 0.583 33.132 32.600 -0.085 0.000 1.480 95 M HN 0.283 nan 8.290 nan 0.000 0.485 96 G N 1.037 109.850 108.800 0.021 0.000 2.157 96 G HA2 -0.199 3.768 3.960 0.011 0.000 0.248 96 G HA3 -0.199 3.768 3.960 0.011 0.000 0.248 96 G C 0.186 175.108 174.900 0.037 0.000 0.979 96 G CA 0.155 45.279 45.100 0.041 0.000 0.650 96 G HN 0.937 nan 8.290 nan 0.000 0.529 97 A N -0.912 121.927 122.820 0.031 0.000 2.240 97 A HA 0.849 5.176 4.320 0.011 0.000 0.292 97 A C 0.251 177.839 177.584 0.007 0.000 1.121 97 A CA 0.165 52.210 52.037 0.014 0.000 0.851 97 A CB 1.253 20.262 19.000 0.015 0.000 1.167 97 A HN 1.155 nan 8.150 nan 0.000 0.503 98 V N 0.756 120.665 119.914 -0.008 0.000 2.357 98 V HA 0.289 4.415 4.120 0.011 0.000 0.284 98 V C -0.575 175.526 176.094 0.012 0.000 1.018 98 V CA -0.374 61.911 62.300 -0.026 0.000 0.841 98 V CB 1.057 32.842 31.823 -0.064 0.000 0.991 98 V HN 0.692 nan 8.190 nan 0.000 0.437 99 L N 5.584 126.811 121.223 0.007 0.000 2.342 99 L HA 0.325 4.672 4.340 0.011 0.000 0.285 99 L C 0.197 177.139 176.870 0.120 0.000 1.095 99 L CA 0.420 55.289 54.840 0.048 0.000 0.843 99 L CB -0.121 41.924 42.059 -0.023 0.000 1.201 99 L HN 0.737 nan 8.230 nan 0.000 0.445 100 H N 3.631 122.726 119.070 0.042 0.000 2.761 100 H HA 0.296 4.858 4.556 0.011 0.000 0.284 100 H C -0.571 174.821 175.328 0.106 0.000 1.105 100 H CA -0.570 55.526 56.048 0.080 0.000 1.352 100 H CB 0.568 30.386 29.762 0.093 0.000 1.423 100 H HN 0.719 nan 8.280 nan 0.000 0.464 101 T N 2.748 117.451 114.554 0.249 0.000 2.728 101 T HA 0.588 4.945 4.350 0.011 0.000 0.296 101 T C 0.133 174.863 174.700 0.050 0.000 0.940 101 T CA -0.928 61.262 62.100 0.150 0.000 1.013 101 T CB 1.282 70.290 68.868 0.233 0.000 0.912 101 T HN 0.585 nan 8.240 nan 0.000 0.484 102 A N 3.779 126.512 122.820 -0.145 0.000 2.324 102 A HA 0.619 4.945 4.320 0.011 0.000 0.330 102 A C 0.308 177.690 177.584 -0.337 0.000 1.165 102 A CA -0.992 50.915 52.037 -0.217 0.000 0.813 102 A CB 0.691 19.493 19.000 -0.330 0.000 1.197 102 A HN 0.821 nan 8.150 nan 0.000 0.484 103 N N 2.379 120.824 118.700 -0.425 0.000 2.401 103 N HA 0.235 4.981 4.740 0.011 0.000 0.255 103 N C -2.022 173.031 175.510 -0.761 0.000 1.110 103 N CA -2.015 50.458 53.050 -0.962 0.000 0.949 103 N CB 1.114 39.279 38.487 -0.537 0.000 1.110 103 N HN 0.195 nan 8.380 nan 0.000 0.490 104 P HA -0.030 nan 4.420 nan 0.000 0.225 104 P C 0.485 177.624 177.300 -0.269 0.000 1.148 104 P CA 1.017 63.823 63.100 -0.491 0.000 0.779 104 P CB 0.285 31.682 31.700 -0.505 0.000 0.780 105 R N -1.175 119.156 120.500 -0.281 0.000 2.317 105 R HA 0.209 4.556 4.340 0.011 0.000 0.208 105 R C 0.651 176.919 176.300 -0.054 0.000 0.914 105 R CA -0.118 55.937 56.100 -0.076 0.000 1.060 105 R CB -0.194 30.125 30.300 0.031 0.000 1.015 105 R HN 0.285 nan 8.270 nan 0.000 0.498 106 L N 1.198 122.361 121.223 -0.100 0.000 2.456 106 L HA 0.130 4.477 4.340 0.011 0.000 0.257 106 L C 0.981 177.825 176.870 -0.043 0.000 1.162 106 L CA -0.405 54.404 54.840 -0.052 0.000 0.808 106 L CB 0.900 42.922 42.059 -0.061 0.000 1.136 106 L HN 0.088 nan 8.230 nan 0.000 0.466 107 S N 0.555 116.241 115.700 -0.023 0.000 2.573 107 S HA 0.110 4.587 4.470 0.011 0.000 0.277 107 S C -1.907 172.676 174.600 -0.028 0.000 1.346 107 S CA -0.946 57.242 58.200 -0.021 0.000 1.034 107 S CB 0.784 63.976 63.200 -0.013 0.000 0.879 107 S HN 0.410 nan 8.310 nan 0.000 0.528 108 P HA -0.068 nan 4.420 nan 0.000 0.216 108 P C 1.130 178.422 177.300 -0.013 0.000 1.150 108 P CA 1.110 64.193 63.100 -0.029 0.000 0.837 108 P CB 0.062 31.746 31.700 -0.027 0.000 0.786 109 K N -0.181 120.215 120.400 -0.005 0.000 2.026 109 K HA -0.160 4.167 4.320 0.011 0.000 0.208 109 K C 2.086 178.705 176.600 0.032 0.000 1.048 109 K CA 1.452 57.746 56.287 0.012 0.000 0.929 109 K CB -0.902 31.599 32.500 0.002 0.000 0.713 109 K HN 0.206 nan 8.250 nan 0.000 0.439 110 E N 0.122 120.325 120.200 0.006 0.000 2.150 110 E HA -0.109 4.247 4.350 0.011 0.000 0.193 110 E C 1.801 178.422 176.600 0.036 0.000 0.985 110 E CA 0.878 57.285 56.400 0.012 0.000 0.814 110 E CB -0.012 29.676 29.700 -0.021 0.000 0.752 110 E HN 0.229 nan 8.360 nan 0.000 0.466 111 I N 0.636 121.203 120.570 -0.005 0.000 2.252 111 I HA -0.225 3.952 4.170 0.011 0.000 0.245 111 I C 2.481 178.591 176.117 -0.013 0.000 1.102 111 I CA 0.944 62.224 61.300 -0.034 0.000 1.385 111 I CB -0.280 37.679 38.000 -0.069 0.000 1.064 111 I HN 0.186 nan 8.210 nan 0.000 0.414 112 A N 0.023 122.851 122.820 0.013 0.000 1.930 112 A HA -0.265 4.061 4.320 0.011 0.000 0.217 112 A C 2.264 179.866 177.584 0.028 0.000 1.175 112 A CA 1.324 53.373 52.037 0.020 0.000 0.627 112 A CB -0.909 18.108 19.000 0.027 0.000 0.815 112 A HN 0.522 nan 8.150 nan 0.000 0.443 113 Y N 1.513 121.782 120.300 -0.053 0.000 2.114 113 Y HA -0.206 4.350 4.550 0.011 0.000 0.284 113 Y C 2.099 177.935 175.900 -0.107 0.000 1.143 113 Y CA 2.063 60.128 58.100 -0.059 0.000 1.135 113 Y CB -0.261 38.156 38.460 -0.071 0.000 0.980 113 Y HN 0.413 nan 8.280 nan 0.000 0.499 114 I N -1.894 118.632 120.570 -0.073 0.000 2.394 114 I HA -0.183 3.994 4.170 0.011 0.000 0.251 114 I C 1.887 177.937 176.117 -0.111 0.000 1.136 114 I CA 1.350 62.413 61.300 -0.394 0.000 1.425 114 I CB -0.701 37.033 38.000 -0.444 0.000 1.079 114 I HN 0.232 nan 8.210 nan 0.000 0.425 115 L N 1.161 122.376 121.223 -0.013 0.000 2.156 115 L HA -0.086 4.261 4.340 0.011 0.000 0.208 115 L C 2.298 179.174 176.870 0.009 0.000 1.095 115 L CA 1.050 55.920 54.840 0.050 0.000 0.770 115 L CB -0.766 41.289 42.059 -0.007 0.000 0.914 115 L HN 0.342 nan 8.230 nan 0.000 0.439 116 N N -1.222 117.437 118.700 -0.068 0.000 2.250 116 N HA -0.170 4.576 4.740 0.011 0.000 0.181 116 N C 1.838 177.284 175.510 -0.106 0.000 1.017 116 N CA 0.858 53.855 53.050 -0.088 0.000 0.866 116 N CB -0.262 38.155 38.487 -0.116 0.000 0.985 116 N HN 0.363 nan 8.380 nan 0.000 0.429 117 H N 0.778 119.666 119.070 -0.302 0.000 2.389 117 H HA 0.094 4.657 4.556 0.011 0.000 0.299 117 H C 1.262 176.641 175.328 0.084 0.000 1.081 117 H CA 1.435 57.355 56.048 -0.214 0.000 1.345 117 H CB 0.278 29.798 29.762 -0.403 0.000 1.393 117 H HN 0.140 nan 8.280 nan 0.000 0.520 118 A N 0.569 123.519 122.820 0.216 0.000 2.208 118 A HA -0.005 4.322 4.320 0.011 0.000 0.209 118 A C 0.694 178.327 177.584 0.082 0.000 1.161 118 A CA 0.541 52.694 52.037 0.194 0.000 0.782 118 A CB -0.180 18.860 19.000 0.066 0.000 0.816 118 A HN 0.620 nan 8.150 nan 0.000 0.477 119 E N 1.175 121.404 120.200 0.049 0.000 2.269 119 E HA -0.163 4.194 4.350 0.011 0.000 0.223 119 E C -1.150 175.463 176.600 0.021 0.000 1.244 119 E CA 0.548 56.957 56.400 0.014 0.000 0.713 119 E CB -1.567 28.134 29.700 0.001 0.000 1.178 119 E HN 0.692 nan 8.360 nan 0.000 0.370 120 D N 0.608 121.037 120.400 0.050 0.000 2.472 120 D HA -0.037 4.610 4.640 0.011 0.000 0.237 120 D C 1.170 177.461 176.300 -0.016 0.000 1.141 120 D CA 0.558 54.584 54.000 0.042 0.000 0.875 120 D CB 1.004 41.846 40.800 0.070 0.000 1.192 120 D HN 0.240 nan 8.370 nan 0.000 0.450 121 K N 1.012 121.404 120.400 -0.015 0.000 2.308 121 K HA 0.100 4.427 4.320 0.011 0.000 0.197 121 K C -0.134 176.442 176.600 -0.041 0.000 1.049 121 K CA 0.324 56.596 56.287 -0.025 0.000 0.991 121 K CB 0.642 33.146 32.500 0.006 0.000 0.836 121 K HN 0.188 nan 8.250 nan 0.000 0.500 122 V N 1.714 121.604 119.914 -0.040 0.000 2.925 122 V HA 0.390 4.517 4.120 0.011 0.000 0.311 122 V C -1.546 174.501 176.094 -0.079 0.000 1.104 122 V CA -1.094 61.176 62.300 -0.049 0.000 0.954 122 V CB 1.898 33.733 31.823 0.020 0.000 1.022 122 V HN 0.103 nan 8.190 nan 0.000 0.427 123 L N 4.826 125.979 121.223 -0.117 0.000 2.381 123 L HA 0.670 5.016 4.340 0.011 0.000 0.274 123 L C -1.226 175.730 176.870 0.142 0.000 0.988 123 L CA -0.050 54.773 54.840 -0.028 0.000 0.824 123 L CB 1.557 43.542 42.059 -0.122 0.000 1.263 123 L HN 0.559 nan 8.230 nan 0.000 0.410 124 L N 6.327 127.628 121.223 0.130 0.000 2.296 124 L HA 0.616 4.962 4.340 0.011 0.000 0.286 124 L C -0.880 176.072 176.870 0.137 0.000 1.023 124 L CA -0.603 54.302 54.840 0.108 0.000 0.812 124 L CB 1.118 43.222 42.059 0.074 0.000 1.223 124 L HN 0.680 nan 8.230 nan 0.000 0.421 125 F N -0.475 119.469 119.950 -0.010 0.000 2.613 125 F HA 0.578 5.111 4.527 0.011 0.000 0.310 125 F C -0.664 175.102 175.800 -0.056 0.000 1.085 125 F CA -1.352 56.620 58.000 -0.047 0.000 0.945 125 F CB 0.883 39.878 39.000 -0.008 0.000 1.298 125 F HN 0.205 nan 8.300 nan 0.000 0.455 126 D N 3.335 123.786 120.400 0.085 0.000 2.382 126 D HA 0.231 4.877 4.640 0.011 0.000 0.245 126 D C -1.726 174.553 176.300 -0.036 0.000 1.120 126 D CA -1.742 52.243 54.000 -0.024 0.000 0.890 126 D CB 1.331 42.208 40.800 0.128 0.000 1.201 126 D HN 0.302 nan 8.370 nan 0.000 0.433 127 P HA -0.194 nan 4.420 nan 0.000 0.216 127 P C 0.587 177.788 177.300 -0.165 0.000 1.157 127 P CA 1.468 64.437 63.100 -0.218 0.000 0.880 127 P CB -0.021 31.503 31.700 -0.292 0.000 0.791 128 N N -0.943 117.562 118.700 -0.325 0.000 2.609 128 N HA -0.058 4.688 4.740 0.011 0.000 0.190 128 N C 0.935 176.434 175.510 -0.017 0.000 1.157 128 N CA 0.560 53.500 53.050 -0.182 0.000 0.918 128 N CB -0.864 37.489 38.487 -0.223 0.000 0.978 128 N HN 0.181 nan 8.380 nan 0.000 0.448 129 L N -0.750 120.510 121.223 0.062 0.000 2.808 129 L HA 0.266 4.612 4.340 0.011 0.000 0.246 129 L C 1.373 178.237 176.870 -0.010 0.000 1.153 129 L CA -0.237 54.640 54.840 0.062 0.000 0.956 129 L CB 0.084 42.206 42.059 0.105 0.000 1.270 129 L HN 0.157 nan 8.230 nan 0.000 0.528 130 L N 1.896 123.153 121.223 0.056 0.000 2.042 130 L HA -0.072 4.274 4.340 0.011 0.000 0.210 130 L C -0.524 176.263 176.870 -0.138 0.000 1.076 130 L CA 2.283 57.095 54.840 -0.047 0.000 0.749 130 L CB -1.099 40.940 42.059 -0.034 0.000 0.893 130 L HN 0.075 nan 8.230 nan 0.000 0.432 131 P HA -0.180 nan 4.420 nan 0.000 0.215 131 P C 1.871 179.122 177.300 -0.082 0.000 1.153 131 P CA 1.153 64.213 63.100 -0.068 0.000 0.853 131 P CB -0.111 31.565 31.700 -0.040 0.000 0.788 132 L N -0.448 120.719 121.223 -0.092 0.000 2.005 132 L HA -0.113 4.233 4.340 0.011 0.000 0.207 132 L C 2.159 178.946 176.870 -0.138 0.000 1.072 132 L CA 1.911 56.692 54.840 -0.097 0.000 0.744 132 L CB -1.313 40.693 42.059 -0.089 0.000 0.895 132 L HN -0.184 nan 8.230 nan 0.000 0.433 133 V N -0.107 119.664 119.914 -0.237 0.000 2.332 133 V HA -0.306 3.820 4.120 0.011 0.000 0.248 133 V C 2.620 178.603 176.094 -0.184 0.000 1.055 133 V CA 1.931 64.059 62.300 -0.286 0.000 1.038 133 V CB -0.703 30.710 31.823 -0.682 0.000 0.651 133 V HN 0.578 nan 8.190 nan 0.000 0.450 134 E N 0.243 120.355 120.200 -0.147 0.000 2.160 134 E HA -0.214 4.143 4.350 0.011 0.000 0.195 134 E C 2.119 178.675 176.600 -0.075 0.000 0.991 134 E CA 1.415 57.776 56.400 -0.066 0.000 0.810 134 E CB -0.290 29.394 29.700 -0.025 0.000 0.742 134 E HN 0.592 nan 8.360 nan 0.000 0.466 135 A N 0.642 123.418 122.820 -0.073 0.000 1.968 135 A HA -0.065 4.262 4.320 0.011 0.000 0.217 135 A C 2.138 179.692 177.584 -0.051 0.000 1.169 135 A CA 1.305 53.310 52.037 -0.054 0.000 0.638 135 A CB -0.589 18.383 19.000 -0.046 0.000 0.812 135 A HN 0.518 nan 8.150 nan 0.000 0.446 136 I N -4.181 116.355 120.570 -0.057 0.000 3.860 136 I HA 0.239 4.416 4.170 0.011 0.000 0.319 136 I C 1.952 178.052 176.117 -0.028 0.000 1.279 136 I CA 0.444 61.723 61.300 -0.035 0.000 1.220 136 I CB -0.148 37.838 38.000 -0.024 0.000 1.027 136 I HN 0.180 nan 8.210 nan 0.000 0.428 137 R N 2.186 122.642 120.500 -0.073 0.000 2.140 137 R HA -0.181 4.166 4.340 0.011 0.000 0.250 137 R C 2.161 178.430 176.300 -0.051 0.000 1.150 137 R CA 2.189 58.222 56.100 -0.112 0.000 0.966 137 R CB -0.651 29.449 30.300 -0.334 0.000 0.869 137 R HN 0.553 nan 8.270 nan 0.000 0.445 138 G N -0.478 108.289 108.800 -0.055 0.000 2.598 138 G HA2 -0.176 3.791 3.960 0.011 0.000 0.215 138 G HA3 -0.176 3.791 3.960 0.011 0.000 0.215 138 G C 0.796 175.691 174.900 -0.009 0.000 1.131 138 G CA 0.416 45.496 45.100 -0.034 0.000 0.785 138 G HN 0.479 nan 8.290 nan 0.000 0.539 139 E N -0.475 119.726 120.200 0.001 0.000 2.472 139 E HA 0.175 4.531 4.350 0.011 0.000 0.196 139 E C 0.198 176.810 176.600 0.020 0.000 1.033 139 E CA -0.305 56.101 56.400 0.010 0.000 0.886 139 E CB 0.287 29.993 29.700 0.011 0.000 0.944 139 E HN 0.326 nan 8.360 nan 0.000 0.492 140 L N 1.833 123.081 121.223 0.042 0.000 2.315 140 L HA 0.170 4.517 4.340 0.011 0.000 0.283 140 L C 0.980 177.874 176.870 0.039 0.000 1.089 140 L CA -0.049 54.823 54.840 0.054 0.000 0.833 140 L CB 0.771 42.907 42.059 0.128 0.000 1.170 140 L HN -0.100 nan 8.230 nan 0.000 0.442 141 K N 0.481 120.887 120.400 0.010 0.000 2.361 141 K HA -0.023 4.304 4.320 0.011 0.000 0.196 141 K C 1.566 178.161 176.600 -0.008 0.000 1.039 141 K CA 1.068 57.354 56.287 -0.001 0.000 1.001 141 K CB 0.225 32.716 32.500 -0.014 0.000 0.795 141 K HN 0.784 nan 8.250 nan 0.000 0.495 142 T N -2.970 111.576 114.554 -0.013 0.000 2.964 142 T HA 0.133 4.490 4.350 0.011 0.000 0.249 142 T C 0.644 175.310 174.700 -0.056 0.000 1.000 142 T CA -0.411 61.672 62.100 -0.029 0.000 0.992 142 T CB -0.028 68.824 68.868 -0.027 0.000 1.087 142 T HN -0.204 nan 8.240 nan 0.000 0.489 143 V N 3.274 123.141 119.914 -0.080 0.000 2.509 143 V HA 0.082 4.208 4.120 0.011 0.000 0.297 143 V C 1.099 177.074 176.094 -0.200 0.000 1.014 143 V CA 0.512 62.680 62.300 -0.219 0.000 1.127 143 V CB 0.333 31.878 31.823 -0.463 0.000 0.925 143 V HN 0.536 nan 8.190 nan 0.000 0.480 144 Q N 2.781 122.436 119.800 -0.243 0.000 2.378 144 Q HA 0.211 4.558 4.340 0.011 0.000 0.216 144 Q C -0.123 175.491 176.000 -0.645 0.000 0.892 144 Q CA 0.423 56.012 55.803 -0.357 0.000 0.931 144 Q CB 0.666 29.188 28.738 -0.360 0.000 1.086 144 Q HN 0.813 nan 8.270 nan 0.000 0.528 145 H N -0.773 118.210 119.070 -0.146 0.000 2.877 145 H HA 0.259 4.822 4.556 0.011 0.000 0.347 145 H C -1.500 173.727 175.328 -0.169 0.000 1.042 145 H CA -0.655 55.364 56.048 -0.048 0.000 1.276 145 H CB 0.954 30.702 29.762 -0.024 0.000 1.681 145 H HN -0.040 nan 8.280 nan 0.000 0.521 146 F N 2.166 122.236 119.950 0.200 0.000 2.361 146 F HA 0.297 4.830 4.527 0.011 0.000 0.364 146 F C 0.320 176.340 175.800 0.368 0.000 1.117 146 F CA -0.711 57.496 58.000 0.345 0.000 1.071 146 F CB 1.334 40.560 39.000 0.377 0.000 1.188 146 F HN 0.112 nan 8.300 nan 0.000 0.464 147 V N 4.703 124.831 119.914 0.357 0.000 2.370 147 V HA 0.398 4.525 4.120 0.011 0.000 0.283 147 V C -0.155 175.815 176.094 -0.207 0.000 1.023 147 V CA -0.946 61.434 62.300 0.133 0.000 0.857 147 V CB 1.534 33.416 31.823 0.097 0.000 0.985 147 V HN 0.420 nan 8.190 nan 0.000 0.443 148 V N 6.008 125.721 119.914 -0.335 0.000 2.498 148 V HA 0.286 4.412 4.120 0.011 0.000 0.279 148 V C 0.574 176.452 176.094 -0.359 0.000 1.048 148 V CA -0.355 61.517 62.300 -0.713 0.000 0.967 148 V CB 1.383 32.897 31.823 -0.516 0.000 0.988 148 V HN 0.837 nan 8.190 nan 0.000 0.473 149 M N 5.222 124.566 119.600 -0.428 0.000 3.237 149 M HA 0.285 4.772 4.480 0.011 0.000 0.266 149 M C -0.449 175.608 176.300 -0.406 0.000 1.456 149 M CA 0.607 55.652 55.300 -0.425 0.000 1.593 149 M CB -0.539 31.771 32.600 -0.482 0.000 1.129 149 M HN 0.735 nan 8.290 nan 0.000 0.547 150 D N -0.217 120.034 120.400 -0.248 0.000 2.851 150 D HA 0.193 4.839 4.640 0.011 0.000 0.339 150 D C 0.161 176.434 176.300 -0.045 0.000 1.347 150 D CA -0.366 53.540 54.000 -0.156 0.000 0.888 150 D CB 1.126 41.854 40.800 -0.121 0.000 1.431 150 D HN 0.303 nan 8.370 nan 0.000 0.509 151 E N -0.062 120.135 120.200 -0.005 0.000 2.170 151 E HA 0.069 4.426 4.350 0.011 0.000 0.191 151 E C 0.057 176.674 176.600 0.030 0.000 0.981 151 E CA 0.754 57.175 56.400 0.035 0.000 0.830 151 E CB 0.689 30.414 29.700 0.042 0.000 0.775 151 E HN 0.148 nan 8.360 nan 0.000 0.470 152 K N -0.092 120.316 120.400 0.012 0.000 2.395 152 K HA 0.691 5.018 4.320 0.011 0.000 0.247 152 K C -1.053 175.547 176.600 0.001 0.000 0.973 152 K CA -0.637 55.660 56.287 0.016 0.000 0.828 152 K CB 2.521 35.032 32.500 0.019 0.000 1.272 152 K HN -0.058 nan 8.250 nan 0.000 0.439 153 A N 1.770 124.605 122.820 0.025 0.000 2.539 153 A HA 0.688 5.015 4.320 0.011 0.000 0.296 153 A C -2.728 174.901 177.584 0.075 0.000 1.073 153 A CA -1.316 50.740 52.037 0.033 0.000 0.700 153 A CB 0.934 19.981 19.000 0.080 0.000 1.296 153 A HN 0.472 nan 8.150 nan 0.000 0.405 154 P HA 0.283 nan 4.420 nan 0.000 0.277 154 P C -0.453 176.986 177.300 0.231 0.000 1.276 154 P CA -0.470 62.701 63.100 0.119 0.000 0.788 154 P CB 0.379 32.115 31.700 0.060 0.000 1.114 155 E N 0.023 120.335 120.200 0.187 0.000 2.414 155 E HA 0.216 4.573 4.350 0.011 0.000 0.263 155 E C 1.286 177.992 176.600 0.175 0.000 1.000 155 E CA 1.330 57.819 56.400 0.148 0.000 0.914 155 E CB 0.075 29.828 29.700 0.088 0.000 0.948 155 E HN 0.759 nan 8.360 nan 0.000 0.444 156 G N 2.730 111.559 108.800 0.049 0.000 2.199 156 G HA2 -0.284 3.682 3.960 0.011 0.000 0.254 156 G HA3 -0.284 3.682 3.960 0.011 0.000 0.254 156 G C -0.255 174.452 174.900 -0.323 0.000 0.982 156 G CA 0.324 45.329 45.100 -0.159 0.000 0.632 156 G HN 0.428 nan 8.290 nan 0.000 0.529 157 Y N -1.084 119.273 120.300 0.095 0.000 2.524 157 Y HA 0.763 5.319 4.550 0.011 0.000 0.344 157 Y C 0.078 176.052 175.900 0.123 0.000 1.012 157 Y CA -1.326 56.870 58.100 0.159 0.000 1.068 157 Y CB 1.780 40.348 38.460 0.181 0.000 1.249 157 Y HN 0.196 nan 8.280 nan 0.000 0.468 158 L N 2.233 123.630 121.223 0.290 0.000 2.317 158 L HA 0.849 5.196 4.340 0.011 0.000 0.281 158 L C -0.362 176.578 176.870 0.117 0.000 1.024 158 L CA -0.833 54.107 54.840 0.165 0.000 0.810 158 L CB 0.979 43.118 42.059 0.135 0.000 1.240 158 L HN 0.722 nan 8.230 nan 0.000 0.427 159 A N 4.024 126.890 122.820 0.076 0.000 2.363 159 A HA 0.209 4.536 4.320 0.011 0.000 0.270 159 A C 0.442 178.067 177.584 0.069 0.000 1.121 159 A CA -0.200 51.868 52.037 0.053 0.000 0.800 159 A CB -0.152 18.875 19.000 0.046 0.000 1.052 159 A HN 0.894 nan 8.150 nan 0.000 0.493 160 Y N 1.523 121.779 120.300 -0.075 0.000 2.114 160 Y HA -0.258 4.298 4.550 0.011 0.000 0.282 160 Y C 1.999 177.877 175.900 -0.037 0.000 1.165 160 Y CA 2.716 60.774 58.100 -0.071 0.000 1.148 160 Y CB 0.161 38.548 38.460 -0.122 0.000 0.972 160 Y HN 0.758 nan 8.280 nan 0.000 0.504 161 E N 0.385 120.705 120.200 0.199 0.000 2.204 161 E HA -0.202 4.155 4.350 0.011 0.000 0.195 161 E C 1.908 178.520 176.600 0.020 0.000 0.990 161 E CA 1.639 58.110 56.400 0.119 0.000 0.821 161 E CB -0.233 29.546 29.700 0.131 0.000 0.750 161 E HN 0.729 nan 8.360 nan 0.000 0.477 162 E N 0.174 120.379 120.200 0.009 0.000 2.250 162 E HA 0.064 4.421 4.350 0.011 0.000 0.192 162 E C 1.910 178.481 176.600 -0.050 0.000 0.986 162 E CA 0.539 56.934 56.400 -0.009 0.000 0.849 162 E CB 0.103 29.809 29.700 0.011 0.000 0.797 162 E HN 0.154 nan 8.360 nan 0.000 0.482 163 A N 1.387 124.153 122.820 -0.090 0.000 2.014 163 A HA -0.024 4.302 4.320 0.011 0.000 0.218 163 A C 1.213 178.692 177.584 -0.174 0.000 1.163 163 A CA 0.289 52.243 52.037 -0.138 0.000 0.652 163 A CB -0.436 18.462 19.000 -0.170 0.000 0.808 163 A HN 0.095 nan 8.150 nan 0.000 0.449 164 L N 0.102 121.203 121.223 -0.202 0.000 2.499 164 L HA 0.300 4.647 4.340 0.011 0.000 0.273 164 L C 1.148 177.960 176.870 -0.096 0.000 1.195 164 L CA -0.055 54.682 54.840 -0.172 0.000 0.882 164 L CB 0.321 42.298 42.059 -0.136 0.000 1.133 164 L HN 0.351 nan 8.230 nan 0.000 0.483 165 G N 2.667 111.417 108.800 -0.085 0.000 3.175 165 G HA2 0.321 4.288 3.960 0.011 0.000 0.153 165 G HA3 0.321 4.288 3.960 0.011 0.000 0.153 165 G C -0.593 174.281 174.900 -0.043 0.000 1.216 165 G CA -0.463 44.601 45.100 -0.060 0.000 0.943 165 G HN 0.452 nan 8.290 nan 0.000 0.611 166 E N 1.302 121.478 120.200 -0.040 0.000 2.354 166 E HA 0.151 4.508 4.350 0.011 0.000 0.269 166 E C -0.012 176.564 176.600 -0.039 0.000 1.036 166 E CA 0.033 56.414 56.400 -0.032 0.000 0.876 166 E CB 1.095 30.777 29.700 -0.029 0.000 1.009 166 E HN 0.387 nan 8.360 nan 0.000 0.416 167 E N 0.541 120.722 120.200 -0.032 0.000 2.452 167 E HA 0.209 4.565 4.350 0.011 0.000 0.261 167 E C -0.592 175.972 176.600 -0.060 0.000 0.987 167 E CA 0.134 56.507 56.400 -0.044 0.000 0.926 167 E CB 0.683 30.363 29.700 -0.033 0.000 0.934 167 E HN 0.428 nan 8.360 nan 0.000 0.452 168 A N 3.824 126.589 122.820 -0.091 0.000 2.380 168 A HA 0.336 4.662 4.320 0.011 0.000 0.315 168 A C -0.716 176.774 177.584 -0.157 0.000 1.101 168 A CA -0.912 51.059 52.037 -0.109 0.000 0.771 168 A CB 1.222 20.151 19.000 -0.118 0.000 1.287 168 A HN 0.511 nan 8.150 nan 0.000 0.436 169 D N 2.251 122.567 120.400 -0.140 0.000 2.339 169 D HA 0.394 5.041 4.640 0.011 0.000 0.245 169 D C -1.948 174.174 176.300 -0.297 0.000 1.115 169 D CA -0.529 53.370 54.000 -0.167 0.000 0.917 169 D CB 0.768 41.513 40.800 -0.093 0.000 1.192 169 D HN 0.367 nan 8.370 nan 0.000 0.428 170 P HA 0.082 nan 4.420 nan 0.000 0.272 170 P C -0.651 176.462 177.300 -0.312 0.000 1.240 170 P CA -0.362 62.367 63.100 -0.619 0.000 0.791 170 P CB 0.802 31.860 31.700 -1.070 0.000 0.978 171 V N 2.232 121.995 119.914 -0.251 0.000 2.325 171 V HA 0.277 4.403 4.120 0.011 0.000 0.280 171 V C 0.786 176.801 176.094 -0.131 0.000 1.016 171 V CA -0.677 61.532 62.300 -0.151 0.000 0.818 171 V CB 0.767 32.520 31.823 -0.116 0.000 1.019 171 V HN 0.530 nan 8.190 nan 0.000 0.434 172 R N 3.682 124.109 120.500 -0.121 0.000 2.491 172 R HA 0.564 4.911 4.340 0.011 0.000 0.283 172 R C -0.351 175.875 176.300 -0.122 0.000 1.072 172 R CA -0.116 55.905 56.100 -0.133 0.000 1.048 172 R CB 1.213 31.453 30.300 -0.100 0.000 0.983 172 R HN 0.639 nan 8.270 nan 0.000 0.450 173 V N 1.738 121.553 119.914 -0.165 0.000 3.113 173 V HA 0.660 4.786 4.120 0.011 0.000 0.316 173 V C -2.516 173.507 176.094 -0.117 0.000 1.125 173 V CA -2.815 59.420 62.300 -0.109 0.000 1.026 173 V CB 1.517 33.304 31.823 -0.060 0.000 1.080 173 V HN 0.705 nan 8.190 nan 0.000 0.444 174 P HA 0.112 nan 4.420 nan 0.000 0.265 174 P C 0.734 178.004 177.300 -0.049 0.000 1.187 174 P CA 0.321 63.390 63.100 -0.051 0.000 0.766 174 P CB 0.346 32.029 31.700 -0.028 0.000 0.820 175 E N 3.170 123.342 120.200 -0.045 0.000 2.265 175 E HA -0.222 4.134 4.350 0.011 0.000 0.196 175 E C 1.060 177.687 176.600 0.044 0.000 0.996 175 E CA 1.022 57.415 56.400 -0.011 0.000 0.832 175 E CB -0.282 29.414 29.700 -0.007 0.000 0.756 175 E HN 0.377 nan 8.360 nan 0.000 0.491 176 R N 0.743 121.255 120.500 0.021 0.000 2.313 176 R HA 0.215 4.562 4.340 0.011 0.000 0.199 176 R C 0.621 176.934 176.300 0.021 0.000 0.958 176 R CA 0.247 56.358 56.100 0.019 0.000 1.047 176 R CB 0.206 30.506 30.300 0.000 0.000 0.955 176 R HN 0.147 nan 8.270 nan 0.000 0.481 177 A N 1.231 124.074 122.820 0.039 0.000 2.366 177 A HA 0.518 4.845 4.320 0.011 0.000 0.249 177 A C 0.165 177.781 177.584 0.054 0.000 1.084 177 A CA -0.326 51.734 52.037 0.038 0.000 0.794 177 A CB 0.347 19.373 19.000 0.043 0.000 1.034 177 A HN 0.305 nan 8.150 nan 0.000 0.491 178 A N -0.407 122.411 122.820 -0.002 0.000 2.462 178 A HA 0.379 4.706 4.320 0.011 0.000 0.243 178 A C 1.090 178.638 177.584 -0.061 0.000 1.076 178 A CA 0.211 52.219 52.037 -0.049 0.000 0.773 178 A CB -0.438 18.502 19.000 -0.100 0.000 1.010 178 A HN 1.942 nan 8.150 nan 0.000 0.493 179 C N 0.112 119.319 119.300 -0.156 0.000 3.637 179 C HA 0.679 5.145 4.460 0.011 0.000 0.439 179 C C 0.905 175.793 174.990 -0.171 0.000 1.443 179 C CA 0.208 59.047 59.018 -0.298 0.000 2.037 179 C CB -0.497 26.785 27.740 -0.764 0.000 2.957 179 C HN 1.424 nan 8.230 nan 0.000 0.669 180 G N 1.060 109.808 108.800 -0.087 0.000 2.623 180 G HA2 0.708 4.675 3.960 0.011 0.000 0.290 180 G HA3 0.708 4.675 3.960 0.011 0.000 0.290 180 G C -1.389 173.533 174.900 0.037 0.000 1.437 180 G CA -0.203 44.891 45.100 -0.011 0.000 0.798 180 G HN 0.847 nan 8.290 nan 0.000 0.488 181 M N -0.898 118.737 119.600 0.058 0.000 2.603 181 M HA 0.868 5.355 4.480 0.011 0.000 0.275 181 M C -1.305 175.052 176.300 0.095 0.000 1.226 181 M CA -1.056 54.207 55.300 -0.063 0.000 0.870 181 M CB 2.064 34.508 32.600 -0.259 0.000 1.716 181 M HN 1.747 nan 8.290 nan 0.000 0.482 182 A N 1.253 124.079 122.820 0.010 0.000 2.594 182 A HA 0.835 5.162 4.320 0.011 0.000 0.295 182 A C -2.382 175.227 177.584 0.042 0.000 1.071 182 A CA -0.554 51.611 52.037 0.212 0.000 0.685 182 A CB 1.479 20.661 19.000 0.303 0.000 1.285 182 A HN 0.795 nan 8.150 nan 0.000 0.405 183 Y N 0.547 120.955 120.300 0.179 0.000 2.457 183 Y HA 0.562 5.118 4.550 0.011 0.000 0.333 183 Y C 1.510 177.500 175.900 0.149 0.000 1.119 183 Y CA 0.150 58.334 58.100 0.141 0.000 1.143 183 Y CB 1.760 40.306 38.460 0.142 0.000 1.230 183 Y HN 0.838 nan 8.280 nan 0.000 0.469 184 T N -1.759 112.947 114.554 0.254 0.000 2.754 184 T HA 0.560 4.916 4.350 0.011 0.000 0.286 184 T C -0.016 174.793 174.700 0.183 0.000 0.997 184 T CA -0.422 61.797 62.100 0.199 0.000 0.982 184 T CB 1.605 70.559 68.868 0.143 0.000 1.027 184 T HN 0.694 nan 8.240 nan 0.000 0.529 185 T N -2.420 112.221 114.554 0.145 0.000 2.739 185 T HA 0.539 4.895 4.350 0.011 0.000 0.303 185 T C 0.996 175.745 174.700 0.082 0.000 1.389 185 T CA 0.764 62.929 62.100 0.107 0.000 1.001 185 T CB 0.787 69.732 68.868 0.129 0.000 1.436 185 T HN 1.822 nan 8.240 nan 0.000 0.500 186 G N 1.189 110.022 108.800 0.055 0.000 2.412 186 G HA2 -0.267 3.699 3.960 0.011 0.000 0.252 186 G HA3 -0.267 3.699 3.960 0.011 0.000 0.252 186 G C 0.408 175.329 174.900 0.035 0.000 1.038 186 G CA 0.826 45.955 45.100 0.049 0.000 0.628 186 G HN 1.175 nan 8.290 nan 0.000 0.531 187 T N 2.605 117.178 114.554 0.031 0.000 2.793 187 T HA 0.357 4.713 4.350 0.011 0.000 0.289 187 T C 2.069 176.764 174.700 -0.008 0.000 0.956 187 T CA 1.246 63.355 62.100 0.015 0.000 1.177 187 T CB 0.912 69.783 68.868 0.005 0.000 0.897 187 T HN 1.077 nan 8.240 nan 0.000 0.533 188 T N 2.141 116.693 114.554 -0.003 0.000 2.824 188 T HA -0.224 4.132 4.350 0.011 0.000 0.259 188 T C 1.382 176.062 174.700 -0.035 0.000 1.024 188 T CA 1.408 63.500 62.100 -0.013 0.000 1.164 188 T CB -0.882 67.983 68.868 -0.005 0.000 0.836 188 T HN 0.706 nan 8.240 nan 0.000 0.485 189 G N 0.548 109.320 108.800 -0.046 0.000 2.574 189 G HA2 0.614 4.580 3.960 0.011 0.000 0.248 189 G HA3 0.614 4.580 3.960 0.011 0.000 0.248 189 G C -0.305 174.532 174.900 -0.105 0.000 1.422 189 G CA -1.112 43.948 45.100 -0.068 0.000 1.051 189 G HN 0.519 nan 8.290 nan 0.000 0.560 190 L N 1.198 122.346 121.223 -0.125 0.000 2.461 190 L HA 0.188 4.535 4.340 0.011 0.000 0.272 190 L C -1.816 174.974 176.870 -0.133 0.000 1.197 190 L CA -1.179 53.541 54.840 -0.199 0.000 0.836 190 L CB 0.641 42.617 42.059 -0.137 0.000 1.105 190 L HN 0.233 nan 8.230 nan 0.000 0.477 191 P HA 0.078 nan 4.420 nan 0.000 0.266 191 P C -1.256 176.145 177.300 0.168 0.000 1.195 191 P CA 0.077 63.215 63.100 0.063 0.000 0.768 191 P CB 0.460 32.228 31.700 0.112 0.000 0.838 192 K N 1.607 122.082 120.400 0.126 0.000 2.206 192 K HA 0.556 4.883 4.320 0.011 0.000 0.264 192 K C 0.336 176.917 176.600 -0.033 0.000 0.967 192 K CA -0.655 55.629 56.287 -0.006 0.000 0.844 192 K CB 1.607 33.886 32.500 -0.368 0.000 1.099 192 K HN 0.507 nan 8.250 nan 0.000 0.441 193 G N 1.473 110.105 108.800 -0.281 0.000 2.338 193 G HA2 0.425 4.391 3.960 0.011 0.000 0.298 193 G HA3 0.425 4.391 3.960 0.011 0.000 0.298 193 G C -0.730 173.997 174.900 -0.290 0.000 1.140 193 G CA -0.399 44.187 45.100 -0.856 0.000 0.860 193 G HN 0.338 nan 8.290 nan 0.000 0.470 194 V N 2.767 122.440 119.914 -0.402 0.000 2.448 194 V HA 0.361 4.488 4.120 0.011 0.000 0.295 194 V C -0.182 175.530 176.094 -0.637 0.000 1.025 194 V CA -0.680 61.347 62.300 -0.456 0.000 0.859 194 V CB 1.764 33.294 31.823 -0.488 0.000 0.988 194 V HN 0.537 nan 8.190 nan 0.000 0.431 195 V N 5.668 125.249 119.914 -0.555 0.000 2.347 195 V HA 0.442 4.568 4.120 0.011 0.000 0.280 195 V C -0.665 175.153 176.094 -0.459 0.000 1.021 195 V CA -0.766 61.253 62.300 -0.468 0.000 0.847 195 V CB 0.810 32.446 31.823 -0.312 0.000 0.990 195 V HN 0.702 nan 8.190 nan 0.000 0.444 196 Y N 2.312 122.524 120.300 -0.147 0.000 2.307 196 Y HA 0.574 5.131 4.550 0.011 0.000 0.324 196 Y C 1.029 176.847 175.900 -0.138 0.000 1.238 196 Y CA -0.406 57.614 58.100 -0.133 0.000 1.280 196 Y CB 1.406 39.779 38.460 -0.144 0.000 1.248 196 Y HN 0.711 nan 8.280 nan 0.000 0.508 197 S N -0.299 115.442 115.700 0.068 0.000 2.648 197 S HA 0.349 4.826 4.470 0.011 0.000 0.305 197 S C 0.522 175.105 174.600 -0.027 0.000 1.094 197 S CA -0.799 57.407 58.200 0.010 0.000 0.983 197 S CB 1.096 64.317 63.200 0.036 0.000 1.101 197 S HN 0.755 nan 8.310 nan 0.000 0.514 198 H N 1.016 120.048 119.070 -0.064 0.000 2.319 198 H HA -0.102 4.461 4.556 0.011 0.000 0.299 198 H C 2.383 177.653 175.328 -0.096 0.000 1.092 198 H CA 2.258 58.233 56.048 -0.121 0.000 1.302 198 H CB -0.125 29.573 29.762 -0.107 0.000 1.373 198 H HN 0.704 nan 8.280 nan 0.000 0.497 199 R N 1.063 121.623 120.500 0.100 0.000 2.094 199 R HA -0.172 4.174 4.340 0.011 0.000 0.239 199 R C 2.458 178.818 176.300 0.100 0.000 1.137 199 R CA 1.632 57.776 56.100 0.074 0.000 0.943 199 R CB -0.311 30.028 30.300 0.065 0.000 0.850 199 R HN 0.256 nan 8.270 nan 0.000 0.433 200 A N 1.306 124.194 122.820 0.113 0.000 1.865 200 A HA -0.142 4.184 4.320 0.011 0.000 0.217 200 A C 2.317 179.980 177.584 0.131 0.000 1.191 200 A CA 1.565 53.724 52.037 0.202 0.000 0.623 200 A CB -0.609 18.520 19.000 0.215 0.000 0.826 200 A HN 0.390 nan 8.150 nan 0.000 0.444 201 L N -0.631 120.572 121.223 -0.035 0.000 2.156 201 L HA -0.111 4.235 4.340 0.011 0.000 0.208 201 L C 2.495 179.330 176.870 -0.059 0.000 1.095 201 L CA 0.780 55.531 54.840 -0.148 0.000 0.770 201 L CB -0.620 41.244 42.059 -0.325 0.000 0.914 201 L HN 0.243 nan 8.230 nan 0.000 0.439 202 V N 0.312 120.197 119.914 -0.049 0.000 2.307 202 V HA -0.267 3.860 4.120 0.011 0.000 0.245 202 V C 2.445 178.642 176.094 0.171 0.000 1.045 202 V CA 1.543 63.882 62.300 0.065 0.000 1.024 202 V CB -0.307 31.495 31.823 -0.036 0.000 0.651 202 V HN 0.326 nan 8.190 nan 0.000 0.449 203 L N -0.537 120.774 121.223 0.147 0.000 2.046 203 L HA -0.216 4.131 4.340 0.011 0.000 0.208 203 L C 2.667 179.580 176.870 0.071 0.000 1.077 203 L CA 1.941 56.895 54.840 0.191 0.000 0.747 203 L CB -0.880 41.369 42.059 0.317 0.000 0.896 203 L HN 0.486 nan 8.230 nan 0.000 0.432 204 H N -0.165 118.754 119.070 -0.251 0.000 2.387 204 H HA -0.116 4.446 4.556 0.011 0.000 0.299 204 H C 2.270 177.328 175.328 -0.449 0.000 1.090 204 H CA 1.751 57.255 56.048 -0.906 0.000 1.332 204 H CB 0.342 29.375 29.762 -1.216 0.000 1.386 204 H HN 0.226 nan 8.280 nan 0.000 0.516 205 S N 0.473 116.144 115.700 -0.048 0.000 2.399 205 S HA -0.075 4.401 4.470 0.011 0.000 0.231 205 S C 2.478 177.028 174.600 -0.085 0.000 1.022 205 S CA 0.919 59.129 58.200 0.015 0.000 0.983 205 S CB -0.058 63.274 63.200 0.220 0.000 0.803 205 S HN 0.306 nan 8.310 nan 0.000 0.480 206 L N 0.975 122.169 121.223 -0.049 0.000 2.049 206 L HA 0.003 4.350 4.340 0.011 0.000 0.203 206 L C 2.820 179.637 176.870 -0.088 0.000 1.074 206 L CA 1.124 55.933 54.840 -0.051 0.000 0.749 206 L CB -0.737 41.335 42.059 0.022 0.000 0.907 206 L HN 0.289 nan 8.230 nan 0.000 0.439 207 A N 0.043 122.803 122.820 -0.099 0.000 1.978 207 A HA -0.169 4.157 4.320 0.011 0.000 0.220 207 A C 2.331 179.828 177.584 -0.146 0.000 1.170 207 A CA 1.905 53.900 52.037 -0.070 0.000 0.636 207 A CB -0.633 18.414 19.000 0.078 0.000 0.810 207 A HN 0.430 nan 8.150 nan 0.000 0.448 208 A N -1.296 121.342 122.820 -0.303 0.000 2.178 208 A HA 0.253 4.580 4.320 0.011 0.000 0.211 208 A C 1.924 179.444 177.584 -0.107 0.000 1.157 208 A CA 1.117 53.014 52.037 -0.234 0.000 0.780 208 A CB -0.182 18.572 19.000 -0.411 0.000 0.828 208 A HN 0.367 nan 8.150 nan 0.000 0.476 209 S N 0.033 115.658 115.700 -0.125 0.000 2.575 209 S HA 0.292 4.769 4.470 0.011 0.000 0.215 209 S C 0.625 175.158 174.600 -0.111 0.000 0.966 209 S CA -0.346 57.782 58.200 -0.120 0.000 0.911 209 S CB -0.300 62.812 63.200 -0.146 0.000 0.780 209 S HN 0.476 nan 8.310 nan 0.000 0.514 210 L N 0.589 121.755 121.223 -0.096 0.000 2.473 210 L HA 0.135 4.482 4.340 0.011 0.000 0.265 210 L C 1.816 178.621 176.870 -0.108 0.000 1.243 210 L CA -0.397 54.386 54.840 -0.096 0.000 0.822 210 L CB 0.075 42.081 42.059 -0.089 0.000 1.101 210 L HN -0.045 nan 8.230 nan 0.000 0.507 211 V N 0.089 119.935 119.914 -0.113 0.000 2.282 211 V HA -0.291 3.835 4.120 0.011 0.000 0.249 211 V C 1.507 177.497 176.094 -0.172 0.000 1.057 211 V CA 2.008 64.239 62.300 -0.116 0.000 1.032 211 V CB -0.524 31.238 31.823 -0.101 0.000 0.645 211 V HN 0.792 nan 8.190 nan 0.000 0.447 212 D N -0.216 120.003 120.400 -0.302 0.000 2.363 212 D HA 0.090 4.737 4.640 0.011 0.000 0.226 212 D C 1.035 177.135 176.300 -0.334 0.000 1.020 212 D CA 0.977 54.618 54.000 -0.598 0.000 0.892 212 D CB 0.275 40.350 40.800 -1.209 0.000 0.900 212 D HN 0.542 nan 8.370 nan 0.000 0.531 213 G N 0.484 109.205 108.800 -0.131 0.000 3.434 213 G HA2 0.091 4.058 3.960 0.011 0.000 0.197 213 G HA3 0.091 4.058 3.960 0.011 0.000 0.197 213 G C 1.163 176.108 174.900 0.074 0.000 1.559 213 G CA 0.386 45.493 45.100 0.011 0.000 0.852 213 G HN 0.154 nan 8.290 nan 0.000 0.682 214 T N -1.792 112.803 114.554 0.069 0.000 3.088 214 T HA 0.342 4.698 4.350 0.011 0.000 0.259 214 T C 1.621 176.267 174.700 -0.090 0.000 1.122 214 T CA 1.373 63.507 62.100 0.057 0.000 1.095 214 T CB -0.129 68.682 68.868 -0.094 0.000 0.930 214 T HN 1.950 nan 8.240 nan 0.000 0.508 215 A N 0.831 123.596 122.820 -0.092 0.000 2.745 215 A HA -0.117 4.210 4.320 0.011 0.000 0.296 215 A C 0.381 177.865 177.584 -0.167 0.000 1.500 215 A CA 0.438 52.412 52.037 -0.105 0.000 0.766 215 A CB -2.653 16.318 19.000 -0.049 0.000 1.030 215 A HN 0.694 nan 8.150 nan 0.000 0.489 216 L N 0.232 121.309 121.223 -0.243 0.000 2.499 216 L HA 0.360 4.707 4.340 0.011 0.000 0.273 216 L C 0.891 177.637 176.870 -0.207 0.000 1.195 216 L CA 0.822 55.490 54.840 -0.286 0.000 0.882 216 L CB 1.152 43.020 42.059 -0.317 0.000 1.133 216 L HN 0.629 nan 8.230 nan 0.000 0.483 217 S N 1.362 116.948 115.700 -0.190 0.000 2.599 217 S HA 0.149 4.626 4.470 0.011 0.000 0.287 217 S C 0.664 175.147 174.600 -0.196 0.000 1.105 217 S CA -0.707 57.393 58.200 -0.167 0.000 0.899 217 S CB 1.843 64.975 63.200 -0.113 0.000 1.100 217 S HN 0.724 nan 8.310 nan 0.000 0.482 218 E N 2.367 122.421 120.200 -0.243 0.000 2.209 218 E HA -0.178 4.178 4.350 0.011 0.000 0.196 218 E C 1.400 177.894 176.600 -0.176 0.000 0.993 218 E CA 1.509 57.715 56.400 -0.324 0.000 0.819 218 E CB -0.069 29.380 29.700 -0.418 0.000 0.745 218 E HN 0.744 nan 8.360 nan 0.000 0.477 219 K N 0.153 120.487 120.400 -0.110 0.000 2.418 219 K HA 0.016 4.343 4.320 0.011 0.000 0.195 219 K C 0.278 176.853 176.600 -0.041 0.000 1.035 219 K CA 0.102 56.355 56.287 -0.058 0.000 1.003 219 K CB 0.226 32.703 32.500 -0.037 0.000 0.793 219 K HN -0.133 nan 8.250 nan 0.000 0.494 220 D N 1.355 121.720 120.400 -0.058 0.000 2.357 220 D HA 0.103 4.749 4.640 0.011 0.000 0.242 220 D C -0.664 175.636 176.300 -0.000 0.000 1.153 220 D CA -0.152 53.835 54.000 -0.022 0.000 0.918 220 D CB 1.840 42.610 40.800 -0.050 0.000 1.181 220 D HN -0.150 nan 8.370 nan 0.000 0.435 221 V N 2.185 122.126 119.914 0.045 0.000 2.325 221 V HA 0.154 4.280 4.120 0.011 0.000 0.280 221 V C -0.001 176.158 176.094 0.107 0.000 1.016 221 V CA -0.718 61.616 62.300 0.056 0.000 0.818 221 V CB 1.636 33.495 31.823 0.059 0.000 1.019 221 V HN 0.214 nan 8.190 nan 0.000 0.434 222 V N 6.414 126.385 119.914 0.096 0.000 2.407 222 V HA 0.449 4.575 4.120 0.011 0.000 0.278 222 V C -0.098 176.076 176.094 0.133 0.000 1.037 222 V CA -0.434 61.967 62.300 0.168 0.000 0.900 222 V CB 1.769 33.654 31.823 0.102 0.000 0.983 222 V HN 0.699 nan 8.190 nan 0.000 0.459 223 L N 8.103 129.427 121.223 0.168 0.000 2.366 223 L HA 0.528 4.874 4.340 0.011 0.000 0.266 223 L C -2.527 174.390 176.870 0.077 0.000 1.010 223 L CA -1.784 53.098 54.840 0.070 0.000 0.879 223 L CB 2.222 44.279 42.059 -0.004 0.000 1.228 223 L HN 0.461 nan 8.230 nan 0.000 0.439 224 P HA 0.091 nan 4.420 nan 0.000 0.277 224 P C 0.545 177.810 177.300 -0.059 0.000 1.354 224 P CA -0.128 62.972 63.100 0.000 0.000 0.891 224 P CB 1.313 32.992 31.700 -0.036 0.000 1.058 225 V N 3.685 123.553 119.914 -0.077 0.000 3.052 225 V HA -0.051 4.076 4.120 0.011 0.000 0.254 225 V C 1.172 177.149 176.094 -0.194 0.000 1.100 225 V CA 0.679 62.879 62.300 -0.166 0.000 1.112 225 V CB 0.163 31.798 31.823 -0.314 0.000 0.738 225 V HN 0.234 nan 8.190 nan 0.000 0.469 226 V N 2.694 122.503 119.914 -0.176 0.000 2.599 226 V HA 0.095 4.221 4.120 0.011 0.000 0.300 226 V C -2.056 173.927 176.094 -0.185 0.000 1.034 226 V CA -1.076 61.134 62.300 -0.150 0.000 1.115 226 V CB 0.614 32.400 31.823 -0.063 0.000 0.934 226 V HN 0.342 nan 8.190 nan 0.000 0.485 227 P HA 0.163 nan 4.420 nan 0.000 0.268 227 P C 0.648 177.624 177.300 -0.539 0.000 1.205 227 P CA 0.027 62.743 63.100 -0.639 0.000 0.771 227 P CB 0.409 31.156 31.700 -1.587 0.000 0.858 228 M N 2.074 121.402 119.600 -0.454 0.000 2.632 228 M HA -0.028 4.458 4.480 0.011 0.000 0.256 228 M C 0.581 176.811 176.300 -0.116 0.000 1.080 228 M CA 1.382 56.475 55.300 -0.345 0.000 1.084 228 M CB -0.522 31.631 32.600 -0.744 0.000 1.439 228 M HN 0.385 nan 8.290 nan 0.000 0.509 229 F N -2.528 117.386 119.950 -0.059 0.000 2.645 229 F HA 0.363 4.896 4.527 0.011 0.000 0.300 229 F C -0.150 175.551 175.800 -0.166 0.000 1.115 229 F CA -0.534 57.413 58.000 -0.087 0.000 1.355 229 F CB -0.441 38.451 39.000 -0.181 0.000 1.026 229 F HN -0.060 nan 8.300 nan 0.000 0.536 230 H N 0.328 119.362 119.070 -0.059 0.000 2.924 230 H HA 0.352 4.915 4.556 0.011 0.000 0.333 230 H C 0.336 175.663 175.328 -0.000 0.000 0.979 230 H CA -1.107 54.949 56.048 0.014 0.000 1.326 230 H CB 2.072 31.799 29.762 -0.058 0.000 1.600 230 H HN -0.036 nan 8.280 nan 0.000 0.520 231 V N 3.480 123.479 119.914 0.143 0.000 4.253 231 V HA -0.397 3.730 4.120 0.011 0.000 0.233 231 V C 0.572 176.604 176.094 -0.103 0.000 0.511 231 V CA 1.255 63.523 62.300 -0.054 0.000 0.872 231 V CB -1.741 30.013 31.823 -0.115 0.000 0.899 231 V HN 1.063 nan 8.190 nan 0.000 1.196 232 N N -2.350 116.322 118.700 -0.046 0.000 2.721 232 N HA -0.312 4.434 4.740 0.011 0.000 0.249 232 N C 0.749 176.295 175.510 0.060 0.000 1.072 232 N CA 1.657 54.706 53.050 -0.002 0.000 0.710 232 N CB -0.964 37.447 38.487 -0.126 0.000 0.993 232 N HN 2.126 nan 8.380 nan 0.000 0.547 233 A N -1.954 120.902 122.820 0.059 0.000 2.783 233 A HA -0.214 4.113 4.320 0.011 0.000 0.292 233 A C 0.753 178.510 177.584 0.287 0.000 1.495 233 A CA 1.847 53.937 52.037 0.089 0.000 0.787 233 A CB -2.341 16.619 19.000 -0.067 0.000 1.017 233 A HN 0.836 nan 8.150 nan 0.000 0.516 234 W N -4.675 116.602 121.300 -0.039 0.000 2.829 234 W HA -0.263 4.404 4.660 0.011 0.000 0.293 234 W C 1.276 177.812 176.519 0.029 0.000 1.133 234 W CA 0.564 57.912 57.345 0.005 0.000 0.572 234 W CB -2.038 27.465 29.460 0.072 0.000 2.175 234 W HN 1.490 nan 8.180 nan 0.000 1.311 235 C N -1.778 117.606 119.300 0.139 0.000 4.473 235 C HA -0.349 4.117 4.460 0.011 0.000 0.272 235 C C 2.469 177.577 174.990 0.197 0.000 1.434 235 C CA 0.832 59.956 59.018 0.176 0.000 1.761 235 C CB -1.884 25.973 27.740 0.195 0.000 1.564 235 C HN 0.537 nan 8.230 nan 0.000 0.725 236 L N 0.238 121.567 121.223 0.177 0.000 2.012 236 L HA -0.143 4.203 4.340 0.011 0.000 0.210 236 L C 0.013 176.917 176.870 0.057 0.000 1.073 236 L CA 2.454 57.364 54.840 0.117 0.000 0.748 236 L CB -1.457 40.684 42.059 0.137 0.000 0.891 236 L HN 0.294 nan 8.230 nan 0.000 0.431 237 P HA -0.192 nan 4.420 nan 0.000 0.216 237 P C 1.276 178.634 177.300 0.097 0.000 1.150 237 P CA 1.560 64.605 63.100 -0.092 0.000 0.837 237 P CB -0.015 31.414 31.700 -0.451 0.000 0.786 238 Y N -0.567 119.863 120.300 0.216 0.000 2.153 238 Y HA -0.114 4.443 4.550 0.011 0.000 0.289 238 Y C 2.632 178.661 175.900 0.214 0.000 1.127 238 Y CA 0.630 58.940 58.100 0.350 0.000 1.131 238 Y CB -0.875 37.777 38.460 0.319 0.000 0.995 238 Y HN -0.119 nan 8.280 nan 0.000 0.505 239 A N 0.381 123.339 122.820 0.229 0.000 1.902 239 A HA -0.202 4.125 4.320 0.011 0.000 0.217 239 A C 2.363 179.882 177.584 -0.109 0.000 1.181 239 A CA 1.803 53.820 52.037 -0.033 0.000 0.623 239 A CB -1.255 17.729 19.000 -0.026 0.000 0.818 239 A HN 0.446 nan 8.150 nan 0.000 0.443 240 A N -1.001 121.803 122.820 -0.027 0.000 1.940 240 A HA -0.110 4.216 4.320 0.011 0.000 0.219 240 A C 2.294 179.854 177.584 -0.041 0.000 1.176 240 A CA 2.376 54.389 52.037 -0.040 0.000 0.631 240 A CB -1.238 17.784 19.000 0.037 0.000 0.814 240 A HN 0.452 nan 8.150 nan 0.000 0.446 241 T N 0.047 114.624 114.554 0.038 0.000 2.737 241 T HA -0.121 4.236 4.350 0.011 0.000 0.265 241 T C 1.841 176.343 174.700 -0.331 0.000 1.038 241 T CA 1.384 63.398 62.100 -0.142 0.000 1.144 241 T CB -0.424 68.555 68.868 0.185 0.000 0.866 241 T HN 0.352 nan 8.240 nan 0.000 0.434 242 L N 2.388 123.406 121.223 -0.343 0.000 2.021 242 L HA -0.118 4.228 4.340 0.011 0.000 0.215 242 L C 2.437 179.095 176.870 -0.353 0.000 1.074 242 L CA 1.896 56.409 54.840 -0.545 0.000 0.760 242 L CB -0.768 40.698 42.059 -0.989 0.000 0.889 242 L HN 0.304 nan 8.230 nan 0.000 0.433 243 V N -3.015 116.676 119.914 -0.371 0.000 3.406 243 V HA 0.411 4.538 4.120 0.011 0.000 0.263 243 V C 1.630 177.242 176.094 -0.803 0.000 1.172 243 V CA 0.516 62.564 62.300 -0.420 0.000 1.140 243 V CB -0.844 30.783 31.823 -0.326 0.000 0.784 243 V HN 0.748 nan 8.190 nan 0.000 0.467 244 G N -0.046 108.305 108.800 -0.748 0.000 2.136 244 G HA2 -0.067 3.900 3.960 0.011 0.000 0.242 244 G HA3 -0.067 3.900 3.960 0.011 0.000 0.242 244 G C 0.338 175.013 174.900 -0.374 0.000 0.989 244 G CA 0.252 44.798 45.100 -0.924 0.000 0.682 244 G HN 1.608 nan 8.290 nan 0.000 0.522 245 A N -0.165 122.530 122.820 -0.208 0.000 2.425 245 A HA 0.588 4.915 4.320 0.011 0.000 0.242 245 A C 0.808 178.443 177.584 0.084 0.000 1.077 245 A CA 0.741 52.734 52.037 -0.073 0.000 0.781 245 A CB 0.391 19.335 19.000 -0.093 0.000 1.020 245 A HN 0.796 nan 8.150 nan 0.000 0.494 246 K N 1.339 121.756 120.400 0.028 0.000 2.350 246 K HA 0.188 4.515 4.320 0.011 0.000 0.279 246 K C -0.438 176.167 176.600 0.008 0.000 1.027 246 K CA 0.156 56.446 56.287 0.004 0.000 0.969 246 K CB 0.272 32.766 32.500 -0.010 0.000 0.954 246 K HN 0.773 nan 8.250 nan 0.000 0.474 247 Q N 2.361 122.144 119.800 -0.029 0.000 2.337 247 Q HA 0.393 4.739 4.340 0.011 0.000 0.266 247 Q C -1.268 174.721 176.000 -0.018 0.000 1.023 247 Q CA -1.103 54.698 55.803 -0.004 0.000 0.829 247 Q CB 2.591 31.334 28.738 0.009 0.000 1.306 247 Q HN 0.327 nan 8.270 nan 0.000 0.449 248 V N 4.013 123.925 119.914 -0.004 0.000 2.380 248 V HA 0.321 4.448 4.120 0.011 0.000 0.286 248 V C -0.555 175.526 176.094 -0.021 0.000 1.015 248 V CA -0.571 61.718 62.300 -0.018 0.000 0.834 248 V CB 0.957 32.761 31.823 -0.032 0.000 1.009 248 V HN 0.618 nan 8.190 nan 0.000 0.428 249 L N 7.596 128.820 121.223 0.002 0.000 2.255 249 L HA 0.389 4.736 4.340 0.011 0.000 0.289 249 L C -1.075 175.804 176.870 0.015 0.000 1.046 249 L CA -1.446 53.397 54.840 0.006 0.000 0.816 249 L CB 1.660 43.744 42.059 0.042 0.000 1.197 249 L HN 0.380 nan 8.230 nan 0.000 0.427 250 P HA -0.041 nan 4.420 nan 0.000 0.230 250 P C 0.856 178.153 177.300 -0.004 0.000 1.158 250 P CA 0.977 64.051 63.100 -0.043 0.000 0.769 250 P CB 0.539 32.180 31.700 -0.099 0.000 0.807 251 G N 1.094 109.931 108.800 0.063 0.000 2.645 251 G HA2 -0.228 3.738 3.960 0.011 0.000 0.246 251 G HA3 -0.228 3.738 3.960 0.011 0.000 0.246 251 G C -1.958 172.923 174.900 -0.031 0.000 1.322 251 G CA 0.140 45.302 45.100 0.103 0.000 0.898 251 G HN 0.067 nan 8.290 nan 0.000 0.573 252 P HA 0.052 nan 4.420 nan 0.000 0.220 252 P C 0.912 178.024 177.300 -0.314 0.000 1.152 252 P CA 0.877 63.572 63.100 -0.675 0.000 0.812 252 P CB 0.046 31.162 31.700 -0.973 0.000 0.792 253 R N 0.880 121.266 120.500 -0.190 0.000 2.488 253 R HA 0.124 4.470 4.340 0.011 0.000 0.306 253 R C 0.568 176.800 176.300 -0.113 0.000 1.271 253 R CA 0.104 56.126 56.100 -0.130 0.000 1.022 253 R CB -0.740 29.499 30.300 -0.101 0.000 1.054 253 R HN 0.256 nan 8.270 nan 0.000 0.500 254 L N 2.490 123.649 121.223 -0.105 0.000 2.741 254 L HA 0.086 4.432 4.340 0.011 0.000 0.237 254 L C 0.489 177.310 176.870 -0.081 0.000 1.178 254 L CA -0.315 54.466 54.840 -0.098 0.000 0.973 254 L CB -0.468 41.531 42.059 -0.100 0.000 1.255 254 L HN 0.607 nan 8.230 nan 0.000 0.498 255 D N -0.118 120.231 120.400 -0.084 0.000 2.382 255 D HA 0.044 4.691 4.640 0.011 0.000 0.240 255 D C -2.000 174.228 176.300 -0.119 0.000 1.146 255 D CA -1.371 52.577 54.000 -0.087 0.000 0.897 255 D CB 1.380 42.124 40.800 -0.092 0.000 1.197 255 D HN -0.142 nan 8.370 nan 0.000 0.432 256 P HA -0.222 nan 4.420 nan 0.000 0.214 256 P C 1.456 178.493 177.300 -0.439 0.000 1.169 256 P CA 2.583 65.519 63.100 -0.273 0.000 0.908 256 P CB -0.086 31.349 31.700 -0.442 0.000 0.791 257 A N -0.778 121.663 122.820 -0.631 0.000 1.892 257 A HA -0.244 4.082 4.320 0.011 0.000 0.218 257 A C 2.410 179.883 177.584 -0.185 0.000 1.188 257 A CA 2.569 54.345 52.037 -0.436 0.000 0.631 257 A CB -1.690 17.149 19.000 -0.268 0.000 0.822 257 A HN 0.148 nan 8.150 nan 0.000 0.447 258 S N -0.266 115.343 115.700 -0.152 0.000 2.370 258 S HA -0.111 4.366 4.470 0.011 0.000 0.226 258 S C 1.838 176.371 174.600 -0.111 0.000 1.033 258 S CA 1.543 59.678 58.200 -0.108 0.000 1.011 258 S CB -0.462 62.675 63.200 -0.105 0.000 0.852 258 S HN 0.508 nan 8.310 nan 0.000 0.457 259 L N 0.822 121.980 121.223 -0.109 0.000 2.027 259 L HA -0.057 4.289 4.340 0.011 0.000 0.206 259 L C 2.358 179.195 176.870 -0.055 0.000 1.074 259 L CA 0.849 55.575 54.840 -0.189 0.000 0.745 259 L CB -0.813 41.218 42.059 -0.047 0.000 0.898 259 L HN 0.190 nan 8.230 nan 0.000 0.433 260 V N 0.148 120.194 119.914 0.220 0.000 2.332 260 V HA -0.330 3.797 4.120 0.011 0.000 0.248 260 V C 2.522 178.738 176.094 0.203 0.000 1.055 260 V CA 2.025 64.547 62.300 0.370 0.000 1.038 260 V CB -0.504 31.439 31.823 0.200 0.000 0.651 260 V HN 0.508 nan 8.190 nan 0.000 0.450 261 E N -0.200 120.034 120.200 0.057 0.000 2.085 261 E HA -0.221 4.136 4.350 0.011 0.000 0.194 261 E C 2.196 178.807 176.600 0.019 0.000 0.994 261 E CA 1.439 57.854 56.400 0.026 0.000 0.801 261 E CB -0.071 29.618 29.700 -0.018 0.000 0.743 261 E HN 0.582 nan 8.360 nan 0.000 0.453 262 L N -0.327 120.865 121.223 -0.052 0.000 2.095 262 L HA -0.100 4.246 4.340 0.011 0.000 0.204 262 L C 2.330 179.184 176.870 -0.026 0.000 1.080 262 L CA 0.489 55.273 54.840 -0.093 0.000 0.759 262 L CB -0.457 41.478 42.059 -0.208 0.000 0.914 262 L HN 0.125 nan 8.230 nan 0.000 0.439 263 F N 1.092 121.071 119.950 0.049 0.000 2.043 263 F HA -0.302 4.232 4.527 0.011 0.000 0.297 263 F C 2.466 178.301 175.800 0.058 0.000 1.121 263 F CA 1.718 59.752 58.000 0.057 0.000 1.199 263 F CB -0.742 38.305 39.000 0.079 0.000 0.968 263 F HN 0.156 nan 8.300 nan 0.000 0.478 264 D N -0.615 119.961 120.400 0.294 0.000 2.103 264 D HA -0.070 4.576 4.640 0.011 0.000 0.199 264 D C 2.530 178.902 176.300 0.120 0.000 0.978 264 D CA 1.467 55.583 54.000 0.192 0.000 0.829 264 D CB -1.102 39.825 40.800 0.211 0.000 0.981 264 D HN 0.346 nan 8.370 nan 0.000 0.464 265 G N 0.627 109.483 108.800 0.093 0.000 2.448 265 G HA2 -0.200 3.767 3.960 0.011 0.000 0.219 265 G HA3 -0.200 3.767 3.960 0.011 0.000 0.219 265 G C 1.384 176.306 174.900 0.037 0.000 1.127 265 G CA 0.555 45.686 45.100 0.051 0.000 0.766 265 G HN 0.151 nan 8.290 nan 0.000 0.552 266 E N -0.363 119.864 120.200 0.045 0.000 2.526 266 E HA 0.191 4.548 4.350 0.011 0.000 0.208 266 E C 1.440 178.068 176.600 0.048 0.000 0.997 266 E CA 0.424 56.843 56.400 0.030 0.000 0.961 266 E CB 0.447 30.152 29.700 0.010 0.000 1.030 266 E HN 0.357 nan 8.360 nan 0.000 0.483 267 G N 1.985 110.831 108.800 0.076 0.000 2.256 267 G HA2 -0.269 3.697 3.960 0.011 0.000 0.272 267 G HA3 -0.269 3.697 3.960 0.011 0.000 0.272 267 G C 0.372 175.328 174.900 0.095 0.000 1.076 267 G CA 0.322 45.468 45.100 0.076 0.000 0.882 267 G HN 0.131 nan 8.290 nan 0.000 0.497 268 V N 0.584 120.588 119.914 0.150 0.000 2.599 268 V HA 0.356 4.483 4.120 0.011 0.000 0.300 268 V C 1.794 177.981 176.094 0.155 0.000 1.034 268 V CA 1.339 63.751 62.300 0.186 0.000 1.115 268 V CB 1.093 33.117 31.823 0.335 0.000 0.934 268 V HN 0.882 nan 8.190 nan 0.000 0.485 269 T N 1.253 115.888 114.554 0.136 0.000 2.969 269 T HA 0.256 4.612 4.350 0.011 0.000 0.250 269 T C -0.083 174.700 174.700 0.139 0.000 1.021 269 T CA 0.056 62.217 62.100 0.102 0.000 1.003 269 T CB 0.193 69.111 68.868 0.084 0.000 1.040 269 T HN 0.359 nan 8.240 nan 0.000 0.492 270 F N 1.275 121.233 119.950 0.013 0.000 2.578 270 F HA 0.698 5.232 4.527 0.011 0.000 0.311 270 F C -1.014 174.805 175.800 0.032 0.000 1.094 270 F CA -0.488 57.504 58.000 -0.012 0.000 0.923 270 F CB 2.377 41.361 39.000 -0.026 0.000 1.230 270 F HN 0.039 nan 8.300 nan 0.000 0.450 271 T N 3.496 117.622 114.554 -0.714 0.000 2.853 271 T HA 0.840 5.196 4.350 0.011 0.000 0.311 271 T C -1.982 172.384 174.700 -0.557 0.000 1.307 271 T CA -0.234 61.690 62.100 -0.293 0.000 1.019 271 T CB 1.327 70.286 68.868 0.151 0.000 1.264 271 T HN 1.176 nan 8.240 nan 0.000 0.497 272 A N 1.260 124.010 122.820 -0.117 0.000 2.449 272 A HA 0.994 5.321 4.320 0.011 0.000 0.302 272 A C -0.005 177.574 177.584 -0.008 0.000 1.048 272 A CA -0.026 51.904 52.037 -0.178 0.000 0.708 272 A CB 1.612 20.338 19.000 -0.457 0.000 1.274 272 A HN 1.462 nan 8.150 nan 0.000 0.410 273 G N -0.611 108.188 108.800 -0.001 0.000 2.548 273 G HA2 0.699 4.665 3.960 0.011 0.000 0.301 273 G HA3 0.699 4.665 3.960 0.011 0.000 0.301 273 G C -0.688 173.955 174.900 -0.428 0.000 1.349 273 G CA 0.230 45.060 45.100 -0.450 0.000 0.792 273 G HN 1.965 nan 8.290 nan 0.000 0.481 274 V N -1.657 117.936 119.914 -0.536 0.000 2.863 274 V HA 0.627 4.754 4.120 0.011 0.000 0.307 274 V C -1.495 174.421 176.094 -0.298 0.000 1.061 274 V CA -1.638 60.497 62.300 -0.276 0.000 1.024 274 V CB 1.687 33.409 31.823 -0.168 0.000 1.049 274 V HN 0.467 nan 8.190 nan 0.000 0.471 275 P HA -0.174 nan 4.420 nan 0.000 0.216 275 P C 1.866 179.201 177.300 0.059 0.000 1.154 275 P CA 2.658 65.807 63.100 0.082 0.000 0.865 275 P CB -0.163 31.591 31.700 0.089 0.000 0.789 276 T N -3.087 111.462 114.554 -0.010 0.000 2.708 276 T HA -0.132 4.224 4.350 0.011 0.000 0.266 276 T C 1.838 176.534 174.700 -0.006 0.000 1.037 276 T CA 1.524 63.628 62.100 0.007 0.000 1.146 276 T CB -1.570 67.293 68.868 -0.007 0.000 0.865 276 T HN -0.112 nan 8.240 nan 0.000 0.435 277 V N 0.047 119.875 119.914 -0.145 0.000 2.343 277 V HA -0.117 4.009 4.120 0.011 0.000 0.247 277 V C 2.403 178.519 176.094 0.036 0.000 1.051 277 V CA 1.613 63.799 62.300 -0.190 0.000 1.036 277 V CB -1.024 30.493 31.823 -0.509 0.000 0.654 277 V HN 0.620 nan 8.190 nan 0.000 0.451 278 W N -0.803 120.548 121.300 0.084 0.000 2.402 278 W HA -0.083 4.583 4.660 0.011 0.000 0.286 278 W C 2.276 178.966 176.519 0.285 0.000 1.221 278 W CA 0.038 57.481 57.345 0.163 0.000 1.257 278 W CB -0.208 29.270 29.460 0.029 0.000 1.120 278 W HN 0.214 nan 8.180 nan 0.000 0.551 279 L N 1.343 122.804 121.223 0.396 0.000 2.027 279 L HA -0.072 4.275 4.340 0.011 0.000 0.206 279 L C 2.467 179.468 176.870 0.219 0.000 1.074 279 L CA 2.471 57.471 54.840 0.268 0.000 0.745 279 L CB -1.218 40.941 42.059 0.168 0.000 0.898 279 L HN -0.060 nan 8.230 nan 0.000 0.433 280 A N -0.612 122.324 122.820 0.193 0.000 1.908 280 A HA -0.220 4.107 4.320 0.011 0.000 0.218 280 A C 2.243 179.958 177.584 0.218 0.000 1.181 280 A CA 2.013 54.147 52.037 0.161 0.000 0.627 280 A CB -1.062 18.002 19.000 0.106 0.000 0.818 280 A HN 0.500 nan 8.150 nan 0.000 0.445 281 L N -0.279 121.134 121.223 0.317 0.000 2.046 281 L HA -0.038 4.309 4.340 0.011 0.000 0.208 281 L C 2.648 179.687 176.870 0.282 0.000 1.077 281 L CA 2.238 57.309 54.840 0.386 0.000 0.747 281 L CB -0.921 41.516 42.059 0.629 0.000 0.896 281 L HN 0.336 nan 8.230 nan 0.000 0.432 282 A N -0.845 122.082 122.820 0.178 0.000 1.902 282 A HA -0.206 4.121 4.320 0.011 0.000 0.217 282 A C 2.004 179.558 177.584 -0.050 0.000 1.181 282 A CA 1.796 53.723 52.037 -0.183 0.000 0.623 282 A CB -0.818 17.989 19.000 -0.321 0.000 0.818 282 A HN 0.535 nan 8.150 nan 0.000 0.443 283 D N -1.578 118.856 120.400 0.056 0.000 2.097 283 D HA -0.170 4.476 4.640 0.011 0.000 0.195 283 D C 1.696 178.049 176.300 0.088 0.000 0.989 283 D CA 1.627 55.662 54.000 0.059 0.000 0.827 283 D CB -0.476 40.377 40.800 0.088 0.000 0.966 283 D HN 0.591 nan 8.370 nan 0.000 0.456 284 Y N 1.478 121.792 120.300 0.024 0.000 2.114 284 Y HA -0.174 4.383 4.550 0.011 0.000 0.284 284 Y C 2.331 178.243 175.900 0.019 0.000 1.143 284 Y CA 1.400 59.518 58.100 0.030 0.000 1.135 284 Y CB -0.474 38.021 38.460 0.058 0.000 0.980 284 Y HN -0.101 nan 8.280 nan 0.000 0.499 285 L N -0.098 121.194 121.223 0.115 0.000 2.079 285 L HA -0.233 4.114 4.340 0.011 0.000 0.210 285 L C 2.322 179.143 176.870 -0.082 0.000 1.081 285 L CA 1.857 56.705 54.840 0.013 0.000 0.752 285 L CB -0.569 41.508 42.059 0.030 0.000 0.896 285 L HN 0.312 nan 8.230 nan 0.000 0.433 286 E N -0.225 119.920 120.200 -0.092 0.000 2.072 286 E HA -0.170 4.186 4.350 0.011 0.000 0.190 286 E C 2.353 178.898 176.600 -0.091 0.000 0.982 286 E CA 1.459 57.801 56.400 -0.096 0.000 0.803 286 E CB -0.052 29.590 29.700 -0.095 0.000 0.755 286 E HN 0.528 nan 8.360 nan 0.000 0.453 287 S N 0.727 116.368 115.700 -0.100 0.000 2.387 287 S HA -0.148 4.329 4.470 0.011 0.000 0.226 287 S C 2.292 176.810 174.600 -0.138 0.000 1.026 287 S CA 1.593 59.733 58.200 -0.100 0.000 0.972 287 S CB -0.722 62.428 63.200 -0.083 0.000 0.814 287 S HN 0.350 nan 8.310 nan 0.000 0.477 288 T N -2.388 112.029 114.554 -0.228 0.000 2.985 288 T HA 0.377 4.733 4.350 0.011 0.000 0.266 288 T C 1.807 176.442 174.700 -0.109 0.000 1.076 288 T CA 1.031 62.995 62.100 -0.227 0.000 1.135 288 T CB -0.829 67.783 68.868 -0.426 0.000 0.890 288 T HN 1.351 nan 8.240 nan 0.000 0.480 289 G N 1.038 109.785 108.800 -0.088 0.000 2.159 289 G HA2 -0.267 3.700 3.960 0.011 0.000 0.256 289 G HA3 -0.267 3.700 3.960 0.011 0.000 0.256 289 G C -0.006 174.882 174.900 -0.020 0.000 0.977 289 G CA 0.288 45.356 45.100 -0.053 0.000 0.652 289 G HN 0.927 nan 8.290 nan 0.000 0.531 290 H N 0.940 119.948 119.070 -0.102 0.000 2.562 290 H HA 0.660 5.223 4.556 0.011 0.000 0.352 290 H C 0.055 175.359 175.328 -0.040 0.000 1.125 290 H CA -0.025 55.989 56.048 -0.056 0.000 1.379 290 H CB 0.720 30.460 29.762 -0.037 0.000 1.464 290 H HN 0.127 nan 8.280 nan 0.000 0.563 291 R N 3.718 123.938 120.500 -0.468 0.000 2.807 291 R HA 0.343 4.690 4.340 0.011 0.000 0.276 291 R C -0.580 175.544 176.300 -0.293 0.000 0.979 291 R CA -1.066 54.880 56.100 -0.257 0.000 0.928 291 R CB 1.543 31.724 30.300 -0.197 0.000 1.191 291 R HN 0.587 nan 8.270 nan 0.000 0.471 292 L N 4.310 125.471 121.223 -0.105 0.000 2.268 292 L HA 0.244 4.590 4.340 0.011 0.000 0.289 292 L C 1.852 178.678 176.870 -0.074 0.000 1.064 292 L CA -0.328 54.479 54.840 -0.055 0.000 0.824 292 L CB 0.823 42.799 42.059 -0.139 0.000 1.202 292 L HN 0.560 nan 8.230 nan 0.000 0.433 293 K N 0.744 121.115 120.400 -0.048 0.000 2.063 293 K HA -0.167 4.159 4.320 0.011 0.000 0.208 293 K C 1.420 178.008 176.600 -0.022 0.000 1.048 293 K CA 1.996 58.260 56.287 -0.038 0.000 0.928 293 K CB -0.432 32.057 32.500 -0.018 0.000 0.713 293 K HN 0.682 nan 8.250 nan 0.000 0.442 294 T N -0.921 113.634 114.554 0.001 0.000 3.037 294 T HA 0.118 4.475 4.350 0.011 0.000 0.252 294 T C 0.805 175.500 174.700 -0.008 0.000 1.073 294 T CA -0.507 61.598 62.100 0.009 0.000 1.091 294 T CB -0.184 68.710 68.868 0.042 0.000 0.935 294 T HN 0.084 nan 8.240 nan 0.000 0.488 295 L N 2.646 123.841 121.223 -0.047 0.000 2.584 295 L HA 0.265 4.612 4.340 0.011 0.000 0.272 295 L C 1.131 177.938 176.870 -0.105 0.000 1.195 295 L CA 0.177 54.951 54.840 -0.109 0.000 0.920 295 L CB 0.314 42.199 42.059 -0.291 0.000 1.173 295 L HN 0.030 nan 8.230 nan 0.000 0.489 296 R N 3.919 124.370 120.500 -0.082 0.000 2.383 296 R HA 0.298 4.645 4.340 0.011 0.000 0.205 296 R C -0.160 176.083 176.300 -0.095 0.000 0.875 296 R CA 0.308 56.368 56.100 -0.067 0.000 1.039 296 R CB 0.413 30.702 30.300 -0.018 0.000 1.267 296 R HN 0.594 nan 8.270 nan 0.000 0.635 297 R N 0.682 121.111 120.500 -0.119 0.000 2.561 297 R HA 0.513 4.859 4.340 0.011 0.000 0.297 297 R C -1.038 174.984 176.300 -0.465 0.000 0.969 297 R CA -0.638 55.354 56.100 -0.180 0.000 0.879 297 R CB 2.509 32.829 30.300 0.033 0.000 1.178 297 R HN -0.083 nan 8.270 nan 0.000 0.445 298 L N 2.423 123.329 121.223 -0.528 0.000 2.410 298 L HA 0.572 4.919 4.340 0.011 0.000 0.270 298 L C -1.359 175.154 176.870 -0.596 0.000 0.983 298 L CA -0.928 53.456 54.840 -0.760 0.000 0.822 298 L CB 2.146 43.583 42.059 -1.037 0.000 1.285 298 L HN 0.359 nan 8.230 nan 0.000 0.409 299 V N 5.121 124.675 119.914 -0.600 0.000 2.513 299 V HA 0.534 4.661 4.120 0.011 0.000 0.299 299 V C -0.599 175.365 176.094 -0.217 0.000 1.035 299 V CA -0.576 61.489 62.300 -0.391 0.000 0.889 299 V CB 2.020 33.535 31.823 -0.512 0.000 0.988 299 V HN 0.532 nan 8.190 nan 0.000 0.440 300 V N 4.633 124.509 119.914 -0.063 0.000 2.487 300 V HA 0.985 5.111 4.120 0.011 0.000 0.298 300 V C 0.131 176.324 176.094 0.164 0.000 1.028 300 V CA 0.439 62.821 62.300 0.137 0.000 0.860 300 V CB 1.317 33.270 31.823 0.217 0.000 0.991 300 V HN 0.974 nan 8.190 nan 0.000 0.427 301 G N 3.332 112.243 108.800 0.185 0.000 3.042 301 G HA2 0.812 4.779 3.960 0.011 0.000 0.278 301 G HA3 0.812 4.779 3.960 0.011 0.000 0.278 301 G C 0.361 175.407 174.900 0.245 0.000 1.371 301 G CA -0.138 45.194 45.100 0.387 0.000 1.009 301 G HN 1.978 nan 8.290 nan 0.000 0.523 302 G N -0.421 108.527 108.800 0.247 0.000 2.523 302 G HA2 -0.127 3.839 3.960 0.011 0.000 0.271 302 G HA3 -0.127 3.839 3.960 0.011 0.000 0.271 302 G C 0.671 175.658 174.900 0.145 0.000 1.146 302 G CA 0.324 45.509 45.100 0.142 0.000 0.961 302 G HN 1.692 nan 8.290 nan 0.000 0.549 303 S N 1.295 117.051 115.700 0.093 0.000 2.561 303 S HA 0.412 4.888 4.470 0.011 0.000 0.294 303 S C 0.965 175.630 174.600 0.108 0.000 1.294 303 S CA 0.460 58.709 58.200 0.081 0.000 1.055 303 S CB 0.850 64.078 63.200 0.046 0.000 0.819 303 S HN 1.934 nan 8.310 nan 0.000 0.503 304 A N 2.534 125.413 122.820 0.097 0.000 2.524 304 A HA 0.488 4.815 4.320 0.011 0.000 0.250 304 A C 0.702 178.344 177.584 0.096 0.000 1.078 304 A CA -0.212 51.886 52.037 0.103 0.000 0.761 304 A CB -0.257 18.787 19.000 0.073 0.000 1.012 304 A HN 1.083 nan 8.150 nan 0.000 0.500 305 A N 5.582 128.470 122.820 0.114 0.000 2.454 305 A HA 0.547 4.873 4.320 0.011 0.000 0.260 305 A C -1.740 175.898 177.584 0.091 0.000 1.106 305 A CA -1.136 50.969 52.037 0.114 0.000 0.780 305 A CB -0.359 18.717 19.000 0.127 0.000 1.044 305 A HN 0.731 nan 8.150 nan 0.000 0.498 306 P HA 0.117 nan 4.420 nan 0.000 0.272 306 P C 0.624 177.965 177.300 0.068 0.000 1.223 306 P CA -0.399 62.743 63.100 0.071 0.000 0.784 306 P CB 0.805 32.546 31.700 0.068 0.000 0.923 307 R N 1.692 122.223 120.500 0.052 0.000 2.103 307 R HA -0.169 4.178 4.340 0.011 0.000 0.242 307 R C 2.294 178.620 176.300 0.043 0.000 1.142 307 R CA 2.558 58.683 56.100 0.041 0.000 0.960 307 R CB -0.567 29.750 30.300 0.028 0.000 0.858 307 R HN 0.661 nan 8.270 nan 0.000 0.439 308 S N 0.269 115.996 115.700 0.045 0.000 2.383 308 S HA -0.155 4.321 4.470 0.011 0.000 0.227 308 S C 1.937 176.571 174.600 0.056 0.000 1.026 308 S CA 1.000 59.224 58.200 0.039 0.000 0.981 308 S CB -0.410 62.810 63.200 0.034 0.000 0.818 308 S HN 0.323 nan 8.310 nan 0.000 0.472 309 L N 1.714 122.992 121.223 0.093 0.000 2.046 309 L HA 0.094 4.440 4.340 0.011 0.000 0.208 309 L C 2.238 179.225 176.870 0.195 0.000 1.077 309 L CA 1.547 56.485 54.840 0.162 0.000 0.747 309 L CB -0.609 41.566 42.059 0.193 0.000 0.896 309 L HN 0.373 nan 8.230 nan 0.000 0.432 310 I N -0.752 119.891 120.570 0.123 0.000 2.252 310 I HA -0.260 3.916 4.170 0.011 0.000 0.245 310 I C 2.552 178.717 176.117 0.080 0.000 1.102 310 I CA 1.099 62.456 61.300 0.094 0.000 1.385 310 I CB -0.677 37.355 38.000 0.053 0.000 1.064 310 I HN 0.332 nan 8.210 nan 0.000 0.414 311 A N 0.964 123.813 122.820 0.049 0.000 1.933 311 A HA -0.187 4.140 4.320 0.011 0.000 0.218 311 A C 2.387 179.968 177.584 -0.004 0.000 1.175 311 A CA 1.392 53.440 52.037 0.018 0.000 0.628 311 A CB -0.524 18.479 19.000 0.006 0.000 0.814 311 A HN 0.308 nan 8.150 nan 0.000 0.444 312 R N -1.813 118.674 120.500 -0.021 0.000 2.081 312 R HA -0.083 4.264 4.340 0.011 0.000 0.235 312 R C 1.791 177.973 176.300 -0.198 0.000 1.131 312 R CA 1.684 57.708 56.100 -0.126 0.000 0.960 312 R CB -0.431 29.758 30.300 -0.185 0.000 0.856 312 R HN 0.538 nan 8.270 nan 0.000 0.436 313 F N 1.141 121.041 119.950 -0.084 0.000 2.259 313 F HA -0.058 4.476 4.527 0.011 0.000 0.298 313 F C 2.372 178.100 175.800 -0.120 0.000 1.088 313 F CA 1.046 58.967 58.000 -0.132 0.000 1.358 313 F CB -0.021 38.858 39.000 -0.202 0.000 1.040 313 F HN -0.032 nan 8.300 nan 0.000 0.505 314 E N 0.074 120.321 120.200 0.078 0.000 2.150 314 E HA -0.156 4.201 4.350 0.011 0.000 0.193 314 E C 2.219 178.813 176.600 -0.009 0.000 0.985 314 E CA 0.694 57.106 56.400 0.021 0.000 0.814 314 E CB -0.251 29.457 29.700 0.013 0.000 0.752 314 E HN 0.442 nan 8.360 nan 0.000 0.466 315 R N 0.015 120.499 120.500 -0.028 0.000 2.189 315 R HA 0.037 4.384 4.340 0.011 0.000 0.223 315 R C 1.776 178.042 176.300 -0.056 0.000 1.092 315 R CA 0.733 56.806 56.100 -0.045 0.000 0.989 315 R CB -0.040 30.224 30.300 -0.059 0.000 0.876 315 R HN 0.156 nan 8.270 nan 0.000 0.457 316 M N -0.521 119.041 119.600 -0.063 0.000 2.493 316 M HA 0.180 4.667 4.480 0.011 0.000 0.244 316 M C 0.669 176.939 176.300 -0.049 0.000 1.182 316 M CA 0.234 55.492 55.300 -0.070 0.000 0.981 316 M CB 1.223 33.761 32.600 -0.102 0.000 1.551 316 M HN 0.380 nan 8.290 nan 0.000 0.476 317 G N 0.593 109.370 108.800 -0.037 0.000 2.179 317 G HA2 -0.215 3.752 3.960 0.011 0.000 0.260 317 G HA3 -0.215 3.752 3.960 0.011 0.000 0.260 317 G C 0.069 174.945 174.900 -0.039 0.000 0.977 317 G CA -0.121 44.957 45.100 -0.036 0.000 0.641 317 G HN 0.355 nan 8.290 nan 0.000 0.533 318 V N 1.546 121.441 119.914 -0.032 0.000 2.406 318 V HA 0.424 4.550 4.120 0.011 0.000 0.272 318 V C 0.709 176.761 176.094 -0.071 0.000 1.043 318 V CA -0.460 61.799 62.300 -0.068 0.000 0.915 318 V CB 1.663 33.437 31.823 -0.081 0.000 0.988 318 V HN 0.431 nan 8.190 nan 0.000 0.466 319 E N 4.461 124.611 120.200 -0.083 0.000 2.299 319 E HA 0.310 4.667 4.350 0.011 0.000 0.272 319 E C -1.042 175.489 176.600 -0.116 0.000 1.043 319 E CA -0.346 56.017 56.400 -0.062 0.000 0.895 319 E CB 1.190 30.874 29.700 -0.027 0.000 1.011 319 E HN 0.508 nan 8.360 nan 0.000 0.432 320 V N 5.741 125.601 119.914 -0.090 0.000 2.532 320 V HA 0.471 4.598 4.120 0.011 0.000 0.295 320 V C 0.107 176.176 176.094 -0.041 0.000 1.041 320 V CA -0.572 61.649 62.300 -0.131 0.000 0.926 320 V CB 1.559 33.316 31.823 -0.110 0.000 0.992 320 V HN 0.696 nan 8.190 nan 0.000 0.457 321 R N 3.000 123.476 120.500 -0.041 0.000 2.514 321 R HA 0.425 4.772 4.340 0.011 0.000 0.296 321 R C -0.846 175.516 176.300 0.103 0.000 1.012 321 R CA -0.644 55.498 56.100 0.071 0.000 0.897 321 R CB 2.443 32.816 30.300 0.121 0.000 1.184 321 R HN 0.726 nan 8.270 nan 0.000 0.440 322 Q N 0.337 120.236 119.800 0.166 0.000 2.317 322 Q HA 0.546 4.893 4.340 0.011 0.000 0.229 322 Q C -0.015 176.201 176.000 0.361 0.000 0.984 322 Q CA -0.361 55.577 55.803 0.225 0.000 0.911 322 Q CB 1.713 30.573 28.738 0.203 0.000 1.217 322 Q HN 0.770 nan 8.270 nan 0.000 0.501 323 G N 0.689 109.775 108.800 0.477 0.000 2.746 323 G HA2 0.392 4.358 3.960 0.011 0.000 0.297 323 G HA3 0.392 4.358 3.960 0.011 0.000 0.297 323 G C -2.358 172.831 174.900 0.481 0.000 1.426 323 G CA -0.390 45.073 45.100 0.606 0.000 0.989 323 G HN 0.475 nan 8.290 nan 0.000 0.520 324 Y N 0.956 121.368 120.300 0.187 0.000 2.331 324 Y HA 0.607 5.163 4.550 0.011 0.000 0.334 324 Y C 0.413 176.341 175.900 0.046 0.000 0.960 324 Y CA -0.622 57.555 58.100 0.129 0.000 1.130 324 Y CB 2.060 40.595 38.460 0.126 0.000 1.164 324 Y HN 1.367 nan 8.280 nan 0.000 0.458 325 G N 5.428 113.951 108.800 -0.461 0.000 2.370 325 G HA2 -0.129 3.837 3.960 0.011 0.000 0.225 325 G HA3 -0.129 3.837 3.960 0.011 0.000 0.225 325 G C -0.785 173.941 174.900 -0.290 0.000 1.109 325 G CA -0.236 44.542 45.100 -0.536 0.000 0.871 325 G HN 0.721 nan 8.290 nan 0.000 0.498 326 L N 1.712 122.867 121.223 -0.114 0.000 2.737 326 L HA 0.586 4.932 4.340 0.011 0.000 0.236 326 L C 0.795 177.641 176.870 -0.040 0.000 1.219 326 L CA 0.636 55.458 54.840 -0.030 0.000 1.021 326 L CB 0.170 42.280 42.059 0.084 0.000 1.291 326 L HN 0.301 nan 8.230 nan 0.000 0.470 327 T N -2.460 112.076 114.554 -0.031 0.000 2.906 327 T HA 0.292 4.649 4.350 0.011 0.000 0.295 327 T C 0.931 175.675 174.700 0.073 0.000 1.061 327 T CA -0.448 61.682 62.100 0.050 0.000 1.000 327 T CB 1.469 70.382 68.868 0.076 0.000 1.103 327 T HN 0.156 nan 8.240 nan 0.000 0.486 328 E N 0.804 121.093 120.200 0.148 0.000 2.058 328 E HA -0.116 4.240 4.350 0.011 0.000 0.194 328 E C 2.249 178.904 176.600 0.091 0.000 0.997 328 E CA 2.407 58.912 56.400 0.175 0.000 0.801 328 E CB -0.579 29.224 29.700 0.172 0.000 0.746 328 E HN 0.871 nan 8.360 nan 0.000 0.450 329 T N -1.326 113.289 114.554 0.103 0.000 2.720 329 T HA -0.121 4.235 4.350 0.011 0.000 0.268 329 T C 1.191 175.879 174.700 -0.020 0.000 1.037 329 T CA 1.149 63.282 62.100 0.056 0.000 1.144 329 T CB -0.357 68.750 68.868 0.398 0.000 0.864 329 T HN 0.143 nan 8.240 nan 0.000 0.444 330 S N 1.707 117.441 115.700 0.057 0.000 2.406 330 S HA 0.608 5.084 4.470 0.011 0.000 0.224 330 S C -3.035 171.469 174.600 -0.159 0.000 1.426 330 S CA -1.617 56.566 58.200 -0.028 0.000 1.179 330 S CB 1.658 64.843 63.200 -0.025 0.000 1.042 330 S HN 0.136 nan 8.310 nan 0.000 0.479 331 P HA 0.104 nan 4.420 nan 0.000 0.285 331 P C -0.325 176.870 177.300 -0.174 0.000 1.282 331 P CA -0.630 62.398 63.100 -0.119 0.000 0.778 331 P CB 0.352 32.043 31.700 -0.015 0.000 1.222 332 V N 0.956 120.714 119.914 -0.261 0.000 2.409 332 V HA -0.006 4.121 4.120 0.011 0.000 0.270 332 V C 1.361 177.534 176.094 0.131 0.000 1.019 332 V CA 0.782 62.924 62.300 -0.263 0.000 1.066 332 V CB -0.587 30.930 31.823 -0.509 0.000 1.021 332 V HN 0.414 nan 8.190 nan 0.000 0.476 333 V N 2.829 122.812 119.914 0.115 0.000 3.485 333 V HA 0.422 4.549 4.120 0.011 0.000 0.280 333 V C 0.239 176.480 176.094 0.246 0.000 1.495 333 V CA -0.006 62.460 62.300 0.278 0.000 1.018 333 V CB 0.821 32.776 31.823 0.220 0.000 0.818 333 V HN 0.410 nan 8.190 nan 0.000 0.436 334 V N 1.276 121.332 119.914 0.237 0.000 2.638 334 V HA 0.590 4.716 4.120 0.011 0.000 0.306 334 V C -0.977 175.281 176.094 0.273 0.000 1.052 334 V CA -0.274 62.194 62.300 0.281 0.000 0.885 334 V CB 1.826 33.872 31.823 0.372 0.000 0.999 334 V HN 0.527 nan 8.190 nan 0.000 0.424 335 Q N 2.589 122.558 119.800 0.280 0.000 2.372 335 Q HA 0.456 4.803 4.340 0.011 0.000 0.273 335 Q C -0.873 175.342 176.000 0.357 0.000 1.078 335 Q CA -0.613 55.388 55.803 0.331 0.000 0.806 335 Q CB 2.915 31.843 28.738 0.316 0.000 1.332 335 Q HN 0.794 nan 8.270 nan 0.000 0.435 336 N N 1.679 120.589 118.700 0.350 0.000 2.438 336 N HA 0.626 5.372 4.740 0.011 0.000 0.282 336 N C -1.554 174.200 175.510 0.407 0.000 1.037 336 N CA -0.332 52.918 53.050 0.334 0.000 0.942 336 N CB 0.659 39.301 38.487 0.260 0.000 1.136 336 N HN 0.411 nan 8.380 nan 0.000 0.481 337 F N 0.801 120.881 119.950 0.216 0.000 2.678 337 F HA 0.496 5.030 4.527 0.011 0.000 0.308 337 F C -1.695 174.231 175.800 0.210 0.000 1.118 337 F CA -1.221 56.876 58.000 0.162 0.000 0.959 337 F CB 0.461 39.531 39.000 0.116 0.000 1.305 337 F HN 0.020 nan 8.300 nan 0.000 0.443 338 V N 3.109 123.117 119.914 0.157 0.000 2.455 338 V HA 0.262 4.389 4.120 0.011 0.000 0.273 338 V C 0.370 176.484 176.094 0.034 0.000 1.045 338 V CA -0.572 61.748 62.300 0.033 0.000 0.976 338 V CB 0.688 32.536 31.823 0.042 0.000 0.993 338 V HN 0.725 nan 8.190 nan 0.000 0.475 339 K N 2.646 122.990 120.400 -0.094 0.000 2.397 339 K HA 0.051 4.378 4.320 0.011 0.000 0.265 339 K C 1.525 178.134 176.600 0.015 0.000 0.982 339 K CA 0.730 56.995 56.287 -0.037 0.000 0.931 339 K CB 0.378 32.795 32.500 -0.139 0.000 0.943 339 K HN 0.698 nan 8.250 nan 0.000 0.501 340 S N 1.296 117.072 115.700 0.128 0.000 2.359 340 S HA -0.187 4.289 4.470 0.011 0.000 0.224 340 S C 1.657 176.307 174.600 0.083 0.000 1.035 340 S CA 1.555 59.827 58.200 0.120 0.000 1.018 340 S CB -0.379 62.915 63.200 0.156 0.000 0.876 340 S HN 0.795 nan 8.310 nan 0.000 0.448 341 H N 0.161 119.266 119.070 0.058 0.000 2.556 341 H HA 0.191 4.753 4.556 0.011 0.000 0.268 341 H C 1.397 176.745 175.328 0.033 0.000 0.996 341 H CA 0.438 56.510 56.048 0.040 0.000 1.157 341 H CB -0.370 29.412 29.762 0.034 0.000 1.355 341 H HN 0.421 nan 8.280 nan 0.000 0.597 342 L N 0.595 121.589 121.223 -0.381 0.000 2.640 342 L HA 0.088 4.435 4.340 0.011 0.000 0.230 342 L C 1.596 178.397 176.870 -0.115 0.000 1.123 342 L CA -0.039 54.636 54.840 -0.275 0.000 0.900 342 L CB 0.267 42.128 42.059 -0.330 0.000 1.146 342 L HN 0.050 nan 8.230 nan 0.000 0.484 343 E N 0.369 120.533 120.200 -0.059 0.000 2.347 343 E HA -0.117 4.240 4.350 0.011 0.000 0.196 343 E C 2.114 178.706 176.600 -0.012 0.000 1.008 343 E CA 1.162 57.551 56.400 -0.018 0.000 0.852 343 E CB 0.178 29.886 29.700 0.013 0.000 0.783 343 E HN 0.475 nan 8.360 nan 0.000 0.505 344 S N -0.092 115.602 115.700 -0.010 0.000 2.562 344 S HA 0.047 4.524 4.470 0.011 0.000 0.221 344 S C 1.224 175.818 174.600 -0.011 0.000 0.975 344 S CA -0.182 58.018 58.200 -0.001 0.000 0.918 344 S CB -0.255 62.955 63.200 0.016 0.000 0.772 344 S HN 0.047 nan 8.310 nan 0.000 0.531 345 L N 2.940 124.146 121.223 -0.028 0.000 2.483 345 L HA 0.154 4.501 4.340 0.011 0.000 0.277 345 L C 1.077 177.932 176.870 -0.026 0.000 1.248 345 L CA -0.316 54.505 54.840 -0.033 0.000 0.825 345 L CB 0.066 42.090 42.059 -0.057 0.000 1.096 345 L HN 0.363 nan 8.230 nan 0.000 0.512 346 S N -0.275 115.410 115.700 -0.025 0.000 2.614 346 S HA 0.108 4.585 4.470 0.011 0.000 0.265 346 S C 0.781 175.367 174.600 -0.024 0.000 1.303 346 S CA -0.756 57.432 58.200 -0.020 0.000 1.000 346 S CB 1.126 64.316 63.200 -0.018 0.000 0.935 346 S HN 0.645 nan 8.310 nan 0.000 0.551 347 E N 0.789 120.977 120.200 -0.019 0.000 2.086 347 E HA -0.274 4.083 4.350 0.011 0.000 0.200 347 E C 1.923 178.510 176.600 -0.023 0.000 1.012 347 E CA 1.746 58.135 56.400 -0.019 0.000 0.812 347 E CB -0.185 29.506 29.700 -0.016 0.000 0.743 347 E HN 0.897 nan 8.360 nan 0.000 0.453 348 E N 0.822 121.009 120.200 -0.022 0.000 2.051 348 E HA -0.229 4.127 4.350 0.011 0.000 0.192 348 E C 1.914 178.495 176.600 -0.031 0.000 0.991 348 E CA 1.195 57.581 56.400 -0.022 0.000 0.799 348 E CB 0.108 29.796 29.700 -0.019 0.000 0.748 348 E HN 0.277 nan 8.360 nan 0.000 0.449 349 E N 0.451 120.629 120.200 -0.037 0.000 2.072 349 E HA -0.200 4.157 4.350 0.011 0.000 0.191 349 E C 2.151 178.708 176.600 -0.072 0.000 0.985 349 E CA 0.937 57.306 56.400 -0.051 0.000 0.801 349 E CB -0.087 29.584 29.700 -0.049 0.000 0.750 349 E HN 0.130 nan 8.360 nan 0.000 0.452 350 K N 0.904 121.266 120.400 -0.064 0.000 2.097 350 K HA -0.176 4.150 4.320 0.011 0.000 0.206 350 K C 2.200 178.760 176.600 -0.067 0.000 1.049 350 K CA 0.716 56.959 56.287 -0.074 0.000 0.933 350 K CB -0.036 32.434 32.500 -0.050 0.000 0.717 350 K HN 0.019 nan 8.250 nan 0.000 0.442 351 L N 1.187 122.383 121.223 -0.045 0.000 2.083 351 L HA -0.120 4.227 4.340 0.011 0.000 0.209 351 L C 1.914 178.761 176.870 -0.038 0.000 1.083 351 L CA 1.936 56.757 54.840 -0.030 0.000 0.752 351 L CB -0.757 41.291 42.059 -0.018 0.000 0.899 351 L HN 0.159 nan 8.230 nan 0.000 0.433 352 T N -0.391 114.133 114.554 -0.051 0.000 2.821 352 T HA -0.145 4.212 4.350 0.011 0.000 0.267 352 T C 1.766 176.409 174.700 -0.096 0.000 1.046 352 T CA 1.425 63.492 62.100 -0.056 0.000 1.139 352 T CB -0.290 68.546 68.868 -0.054 0.000 0.871 352 T HN 0.241 nan 8.240 nan 0.000 0.454 353 L N 1.399 122.533 121.223 -0.148 0.000 2.005 353 L HA 0.022 4.369 4.340 0.011 0.000 0.207 353 L C 2.185 178.939 176.870 -0.194 0.000 1.072 353 L CA 1.835 56.511 54.840 -0.273 0.000 0.744 353 L CB -0.522 41.333 42.059 -0.340 0.000 0.895 353 L HN 0.053 nan 8.230 nan 0.000 0.433 354 K N -0.525 119.815 120.400 -0.100 0.000 2.211 354 K HA -0.110 4.217 4.320 0.011 0.000 0.204 354 K C 1.906 178.512 176.600 0.010 0.000 1.047 354 K CA 1.193 57.468 56.287 -0.021 0.000 0.935 354 K CB -0.375 32.126 32.500 0.001 0.000 0.728 354 K HN 0.479 nan 8.250 nan 0.000 0.452 355 A N 1.504 124.319 122.820 -0.008 0.000 2.168 355 A HA -0.062 4.265 4.320 0.011 0.000 0.215 355 A C 0.451 178.052 177.584 0.028 0.000 1.152 355 A CA 0.643 52.692 52.037 0.019 0.000 0.716 355 A CB -0.090 18.916 19.000 0.011 0.000 0.794 355 A HN 0.136 nan 8.150 nan 0.000 0.465 356 K N -0.382 120.023 120.400 0.008 0.000 2.202 356 K HA 0.245 4.571 4.320 0.011 0.000 0.264 356 K C 0.967 177.632 176.600 0.107 0.000 1.010 356 K CA 0.202 56.514 56.287 0.041 0.000 0.940 356 K CB 0.519 33.024 32.500 0.007 0.000 0.983 356 K HN 0.139 nan 8.250 nan 0.000 0.475 357 T N 0.504 115.126 114.554 0.114 0.000 2.699 357 T HA -0.111 4.245 4.350 0.011 0.000 0.268 357 T C 0.961 175.792 174.700 0.219 0.000 1.036 357 T CA 1.377 63.564 62.100 0.145 0.000 1.147 357 T CB -0.160 68.745 68.868 0.061 0.000 0.862 357 T HN 0.923 nan 8.240 nan 0.000 0.446 358 G N -0.387 108.568 108.800 0.258 0.000 2.325 358 G HA2 0.231 4.198 3.960 0.011 0.000 0.285 358 G HA3 0.231 4.198 3.960 0.011 0.000 0.285 358 G C -1.870 173.135 174.900 0.174 0.000 1.303 358 G CA -1.060 44.212 45.100 0.288 0.000 0.970 358 G HN 0.322 nan 8.290 nan 0.000 0.490 359 L N 1.005 122.266 121.223 0.065 0.000 2.331 359 L HA 0.534 4.880 4.340 0.011 0.000 0.275 359 L C -2.159 174.789 176.870 0.130 0.000 1.022 359 L CA -2.043 52.777 54.840 -0.034 0.000 0.812 359 L CB 2.275 44.209 42.059 -0.209 0.000 1.257 359 L HN 0.276 nan 8.230 nan 0.000 0.435 360 P HA 0.095 nan 4.420 nan 0.000 0.268 360 P C -0.548 176.856 177.300 0.174 0.000 1.204 360 P CA -0.092 63.110 63.100 0.170 0.000 0.768 360 P CB 0.404 32.199 31.700 0.158 0.000 0.842 361 I N 1.297 121.983 120.570 0.194 0.000 2.970 361 I HA 0.543 4.720 4.170 0.011 0.000 0.310 361 I C -2.367 173.852 176.117 0.170 0.000 1.010 361 I CA -3.027 58.383 61.300 0.184 0.000 1.228 361 I CB 0.176 38.283 38.000 0.179 0.000 1.433 361 I HN 0.125 nan 8.210 nan 0.000 0.573 362 P HA 0.078 nan 4.420 nan 0.000 0.266 362 P C 0.143 177.541 177.300 0.163 0.000 1.186 362 P CA 0.280 63.456 63.100 0.126 0.000 0.767 362 P CB 0.215 31.974 31.700 0.099 0.000 0.820 363 L N -1.661 119.603 121.223 0.070 0.000 4.937 363 L HA -0.182 4.164 4.340 0.011 0.000 0.422 363 L C -0.182 176.563 176.870 -0.208 0.000 1.059 363 L CA 0.195 55.015 54.840 -0.033 0.000 1.111 363 L CB -1.965 40.119 42.059 0.041 0.000 2.033 363 L HN 0.166 nan 8.230 nan 0.000 0.708 364 V N 0.748 120.598 119.914 -0.107 0.000 2.417 364 V HA 0.419 4.545 4.120 0.011 0.000 0.291 364 V C 0.554 176.629 176.094 -0.031 0.000 1.024 364 V CA -0.339 61.874 62.300 -0.144 0.000 0.861 364 V CB 1.919 33.724 31.823 -0.031 0.000 0.985 364 V HN 0.120 nan 8.190 nan 0.000 0.436 365 R N 4.451 124.923 120.500 -0.047 0.000 2.255 365 R HA 0.688 5.035 4.340 0.011 0.000 0.326 365 R C -0.955 175.447 176.300 0.170 0.000 0.986 365 R CA -0.396 55.744 56.100 0.067 0.000 0.847 365 R CB 1.576 31.893 30.300 0.028 0.000 1.111 365 R HN 0.626 nan 8.270 nan 0.000 0.452 366 L N 3.631 124.988 121.223 0.225 0.000 2.370 366 L HA 0.683 5.030 4.340 0.011 0.000 0.266 366 L C -1.097 175.902 176.870 0.215 0.000 1.002 366 L CA -0.770 54.205 54.840 0.226 0.000 0.818 366 L CB 1.561 43.727 42.059 0.179 0.000 1.325 366 L HN 0.713 nan 8.230 nan 0.000 0.418 367 R N 2.749 123.254 120.500 0.008 0.000 2.680 367 R HA 0.682 5.029 4.340 0.011 0.000 0.269 367 R C -2.252 173.629 176.300 -0.698 0.000 1.026 367 R CA -0.919 55.001 56.100 -0.300 0.000 0.889 367 R CB 1.865 32.076 30.300 -0.150 0.000 1.241 367 R HN 0.336 nan 8.270 nan 0.000 0.463 368 V N 1.735 120.808 119.914 -1.402 0.000 2.313 368 V HA 0.716 4.843 4.120 0.011 0.000 0.278 368 V C -0.158 175.572 176.094 -0.607 0.000 1.017 368 V CA -0.237 61.438 62.300 -1.043 0.000 0.823 368 V CB 0.631 31.555 31.823 -1.498 0.000 1.010 368 V HN 0.946 nan 8.190 nan 0.000 0.443 369 A N 4.052 126.642 122.820 -0.385 0.000 2.437 369 A HA 0.935 5.262 4.320 0.011 0.000 0.292 369 A C -0.607 176.848 177.584 -0.215 0.000 1.173 369 A CA -0.689 51.202 52.037 -0.244 0.000 0.785 369 A CB 1.458 20.319 19.000 -0.232 0.000 1.351 369 A HN 0.779 nan 8.150 nan 0.000 0.431 370 D N -0.962 119.346 120.400 -0.155 0.000 2.511 370 D HA 0.250 4.897 4.640 0.011 0.000 0.276 370 D C 0.485 176.714 176.300 -0.118 0.000 1.220 370 D CA -0.440 53.474 54.000 -0.143 0.000 1.077 370 D CB 0.212 40.966 40.800 -0.078 0.000 1.126 370 D HN 0.309 nan 8.370 nan 0.000 0.583 371 E N -0.789 119.363 120.200 -0.081 0.000 2.463 371 E HA -0.130 4.226 4.350 0.011 0.000 0.201 371 E C 0.838 177.416 176.600 -0.037 0.000 1.045 371 E CA 0.614 56.984 56.400 -0.050 0.000 0.872 371 E CB 0.020 29.719 29.700 -0.001 0.000 0.797 371 E HN 0.546 nan 8.360 nan 0.000 0.538 372 E N -1.321 118.856 120.200 -0.039 0.000 2.452 372 E HA 0.143 4.500 4.350 0.011 0.000 0.197 372 E C 0.998 177.566 176.600 -0.054 0.000 1.022 372 E CA 0.402 56.783 56.400 -0.031 0.000 0.890 372 E CB 0.607 30.298 29.700 -0.016 0.000 0.918 372 E HN 0.234 nan 8.360 nan 0.000 0.496 373 G N 2.245 110.991 108.800 -0.089 0.000 2.132 373 G HA2 -0.302 3.664 3.960 0.011 0.000 0.234 373 G HA3 -0.302 3.664 3.960 0.011 0.000 0.234 373 G C -0.036 174.778 174.900 -0.144 0.000 0.989 373 G CA -0.182 44.835 45.100 -0.138 0.000 0.676 373 G HN 0.111 nan 8.290 nan 0.000 0.522 374 R N 0.556 121.000 120.500 -0.093 0.000 2.297 374 R HA 0.452 4.798 4.340 0.011 0.000 0.308 374 R C -2.583 173.691 176.300 -0.042 0.000 1.029 374 R CA -1.915 54.151 56.100 -0.058 0.000 0.929 374 R CB 0.964 31.250 30.300 -0.023 0.000 1.046 374 R HN 0.072 nan 8.270 nan 0.000 0.461 375 P HA -0.082 nan 4.420 nan 0.000 0.265 375 P C -0.258 177.139 177.300 0.162 0.000 1.193 375 P CA -0.148 63.033 63.100 0.135 0.000 0.765 375 P CB 0.602 32.454 31.700 0.253 0.000 0.823 376 V N 1.697 121.739 119.914 0.214 0.000 2.997 376 V HA 0.569 4.696 4.120 0.011 0.000 0.311 376 V C -2.443 173.858 176.094 0.346 0.000 1.066 376 V CA -2.885 59.533 62.300 0.195 0.000 1.039 376 V CB 0.230 32.104 31.823 0.084 0.000 1.081 376 V HN 0.337 nan 8.190 nan 0.000 0.467 377 P HA 0.121 nan 4.420 nan 0.000 0.264 377 P C -0.538 176.850 177.300 0.146 0.000 1.183 377 P CA 0.260 63.436 63.100 0.127 0.000 0.763 377 P CB 0.093 31.842 31.700 0.081 0.000 0.807 378 K N 2.453 122.805 120.400 -0.081 0.000 3.006 378 K HA 0.036 4.362 4.320 0.011 0.000 0.262 378 K C -0.030 176.526 176.600 -0.074 0.000 1.289 378 K CA 0.214 56.344 56.287 -0.262 0.000 1.245 378 K CB -0.304 31.840 32.500 -0.593 0.000 1.614 378 K HN 0.499 nan 8.250 nan 0.000 0.322 379 D N -1.018 119.401 120.400 0.033 0.000 2.369 379 D HA 0.059 4.706 4.640 0.011 0.000 0.211 379 D C 1.071 177.407 176.300 0.060 0.000 1.077 379 D CA -0.033 53.987 54.000 0.035 0.000 0.842 379 D CB 0.470 41.293 40.800 0.038 0.000 0.947 379 D HN 0.242 nan 8.370 nan 0.000 0.509 380 G N 0.345 109.208 108.800 0.104 0.000 2.155 380 G HA2 -0.326 3.640 3.960 0.011 0.000 0.257 380 G HA3 -0.326 3.640 3.960 0.011 0.000 0.257 380 G C 1.070 176.020 174.900 0.083 0.000 0.983 380 G CA 0.746 45.908 45.100 0.104 0.000 0.676 380 G HN 0.329 nan 8.290 nan 0.000 0.528 381 K N -0.696 119.756 120.400 0.086 0.000 2.485 381 K HA 0.490 4.817 4.320 0.011 0.000 0.200 381 K C 1.343 177.984 176.600 0.068 0.000 1.344 381 K CA 0.682 57.009 56.287 0.068 0.000 0.948 381 K CB -0.438 32.097 32.500 0.058 0.000 1.454 381 K HN 0.927 nan 8.250 nan 0.000 0.502 382 A N 3.189 126.059 122.820 0.083 0.000 2.548 382 A HA 0.231 4.558 4.320 0.011 0.000 0.247 382 A C 0.162 177.758 177.584 0.020 0.000 1.067 382 A CA 0.165 52.243 52.037 0.068 0.000 0.757 382 A CB -0.525 18.531 19.000 0.093 0.000 0.996 382 A HN 0.228 nan 8.150 nan 0.000 0.504 383 L N 2.685 123.884 121.223 -0.040 0.000 2.350 383 L HA 0.668 5.014 4.340 0.011 0.000 0.275 383 L C 0.890 177.613 176.870 -0.244 0.000 1.099 383 L CA 0.029 54.786 54.840 -0.139 0.000 0.808 383 L CB 1.494 43.458 42.059 -0.158 0.000 1.149 383 L HN 0.876 nan 8.230 nan 0.000 0.442 384 G N 1.424 110.056 108.800 -0.280 0.000 2.608 384 G HA2 0.309 4.276 3.960 0.011 0.000 0.291 384 G HA3 0.309 4.276 3.960 0.011 0.000 0.291 384 G C -1.997 172.712 174.900 -0.319 0.000 1.425 384 G CA -0.489 44.418 45.100 -0.322 0.000 0.787 384 G HN 0.499 nan 8.290 nan 0.000 0.484 385 E N -0.046 119.975 120.200 -0.299 0.000 2.249 385 E HA 0.462 4.818 4.350 0.011 0.000 0.280 385 E C -0.364 176.087 176.600 -0.249 0.000 1.016 385 E CA -0.562 55.691 56.400 -0.246 0.000 0.830 385 E CB 1.626 31.200 29.700 -0.209 0.000 1.081 385 E HN 0.176 nan 8.360 nan 0.000 0.395 386 V N 5.123 124.924 119.914 -0.189 0.000 2.479 386 V HA 0.030 4.156 4.120 0.011 0.000 0.281 386 V C 0.016 176.079 176.094 -0.051 0.000 1.031 386 V CA 0.313 62.530 62.300 -0.138 0.000 1.038 386 V CB 0.674 32.473 31.823 -0.039 0.000 0.981 386 V HN 0.675 nan 8.190 nan 0.000 0.478 387 Q N 5.546 125.325 119.800 -0.036 0.000 2.365 387 Q HA 0.792 5.139 4.340 0.011 0.000 0.269 387 Q C -1.265 174.915 176.000 0.299 0.000 1.061 387 Q CA -0.749 55.111 55.803 0.094 0.000 0.816 387 Q CB 2.887 31.626 28.738 0.002 0.000 1.325 387 Q HN 0.587 nan 8.270 nan 0.000 0.446 388 L N 0.612 122.050 121.223 0.360 0.000 2.350 388 L HA 0.685 5.032 4.340 0.011 0.000 0.260 388 L C -0.743 176.126 176.870 -0.002 0.000 1.015 388 L CA -0.992 53.993 54.840 0.243 0.000 0.821 388 L CB 2.248 44.411 42.059 0.173 0.000 1.370 388 L HN 0.384 nan 8.230 nan 0.000 0.416 389 K N 0.308 120.579 120.400 -0.215 0.000 2.501 389 K HA 0.814 5.141 4.320 0.011 0.000 0.252 389 K C -0.913 175.477 176.600 -0.349 0.000 0.934 389 K CA -0.645 55.405 56.287 -0.395 0.000 0.797 389 K CB 2.655 34.739 32.500 -0.693 0.000 1.270 389 K HN 0.872 nan 8.250 nan 0.000 0.431 390 G N 1.955 110.525 108.800 -0.383 0.000 2.338 390 G HA2 0.174 4.140 3.960 0.011 0.000 0.295 390 G HA3 0.174 4.140 3.960 0.011 0.000 0.295 390 G C -2.792 171.825 174.900 -0.471 0.000 1.461 390 G CA -0.895 43.894 45.100 -0.518 0.000 0.817 390 G HN 0.269 nan 8.290 nan 0.000 0.556 391 P HA 0.009 nan 4.420 nan 0.000 0.219 391 P C 0.916 178.221 177.300 0.009 0.000 1.146 391 P CA 1.691 64.706 63.100 -0.142 0.000 0.808 391 P CB 0.032 31.753 31.700 0.034 0.000 0.779 392 W N -2.574 118.723 121.300 -0.006 0.000 2.818 392 W HA 0.423 5.090 4.660 0.011 0.000 0.403 392 W C -0.627 175.866 176.519 -0.044 0.000 0.991 392 W CA -0.611 56.734 57.345 0.001 0.000 1.925 392 W CB -0.420 29.052 29.460 0.021 0.000 1.166 392 W HN -0.338 nan 8.180 nan 0.000 0.605 393 I N 2.043 122.471 120.570 -0.236 0.000 2.365 393 I HA 0.191 4.367 4.170 0.011 0.000 0.291 393 I C 0.939 176.865 176.117 -0.318 0.000 1.004 393 I CA -0.555 60.575 61.300 -0.285 0.000 1.311 393 I CB 1.006 38.819 38.000 -0.311 0.000 1.401 393 I HN -0.117 nan 8.210 nan 0.000 0.491 394 T N 4.190 118.444 114.554 -0.500 0.000 2.898 394 T HA 0.355 4.711 4.350 0.011 0.000 0.301 394 T C 1.059 175.488 174.700 -0.451 0.000 1.049 394 T CA 0.064 61.855 62.100 -0.516 0.000 1.095 394 T CB 0.833 69.298 68.868 -0.673 0.000 0.976 394 T HN 0.865 nan 8.240 nan 0.000 0.539 395 G N 1.293 109.916 108.800 -0.294 0.000 3.159 395 G HA2 0.575 4.542 3.960 0.011 0.000 0.232 395 G HA3 0.575 4.542 3.960 0.011 0.000 0.232 395 G C 0.500 175.319 174.900 -0.134 0.000 1.116 395 G CA 0.299 45.311 45.100 -0.147 0.000 0.767 395 G HN 1.096 nan 8.290 nan 0.000 0.547 396 G N -1.001 107.613 108.800 -0.310 0.000 2.364 396 G HA2 0.465 4.431 3.960 0.011 0.000 0.286 396 G HA3 0.465 4.431 3.960 0.011 0.000 0.286 396 G C -2.004 172.505 174.900 -0.652 0.000 1.241 396 G CA -0.794 44.119 45.100 -0.312 0.000 0.887 396 G HN 0.017 nan 8.290 nan 0.000 0.484 397 Y N -1.421 118.886 120.300 0.011 0.000 2.605 397 Y HA 0.627 5.183 4.550 0.011 0.000 0.343 397 Y C -0.807 175.122 175.900 0.049 0.000 1.036 397 Y CA -0.846 57.254 58.100 -0.000 0.000 1.065 397 Y CB 2.040 40.506 38.460 0.011 0.000 1.288 397 Y HN 0.648 nan 8.280 nan 0.000 0.481 398 Y N 1.091 121.449 120.300 0.097 0.000 2.336 398 Y HA 0.468 5.025 4.550 0.011 0.000 0.335 398 Y C 0.769 176.808 175.900 0.231 0.000 1.046 398 Y CA -0.362 57.790 58.100 0.086 0.000 1.198 398 Y CB 0.752 39.219 38.460 0.012 0.000 1.182 398 Y HN 0.783 nan 8.280 nan 0.000 0.502 399 G N 5.366 113.857 108.800 -0.514 0.000 2.372 399 G HA2 -0.347 3.619 3.960 0.011 0.000 0.297 399 G HA3 -0.347 3.619 3.960 0.011 0.000 0.297 399 G C -0.209 174.682 174.900 -0.015 0.000 1.005 399 G CA 0.689 45.553 45.100 -0.394 0.000 1.173 399 G HN 1.092 nan 8.290 nan 0.000 0.511 400 N N -0.791 117.923 118.700 0.022 0.000 3.153 400 N HA 0.105 4.852 4.740 0.011 0.000 0.208 400 N C 1.115 176.666 175.510 0.068 0.000 1.462 400 N CA -0.301 52.784 53.050 0.059 0.000 0.754 400 N CB 0.281 38.804 38.487 0.061 0.000 1.558 400 N HN 0.059 nan 8.380 nan 0.000 0.605 401 E N 1.095 121.321 120.200 0.043 0.000 2.065 401 E HA -0.253 4.104 4.350 0.011 0.000 0.201 401 E C 0.818 177.452 176.600 0.057 0.000 1.016 401 E CA 1.680 58.108 56.400 0.047 0.000 0.818 401 E CB 0.172 29.888 29.700 0.027 0.000 0.749 401 E HN 0.692 nan 8.360 nan 0.000 0.453 402 E N 0.396 120.620 120.200 0.041 0.000 2.049 402 E HA -0.200 4.156 4.350 0.011 0.000 0.198 402 E C 2.064 178.695 176.600 0.051 0.000 1.007 402 E CA 1.190 57.611 56.400 0.035 0.000 0.809 402 E CB -0.171 29.538 29.700 0.016 0.000 0.749 402 E HN 0.233 nan 8.360 nan 0.000 0.450 403 A N 0.736 123.581 122.820 0.042 0.000 1.902 403 A HA -0.175 4.151 4.320 0.011 0.000 0.217 403 A C 2.375 180.127 177.584 0.280 0.000 1.181 403 A CA 1.912 53.977 52.037 0.046 0.000 0.623 403 A CB -0.781 18.094 19.000 -0.208 0.000 0.818 403 A HN 0.184 nan 8.150 nan 0.000 0.443 404 T N -0.275 114.455 114.554 0.294 0.000 2.777 404 T HA -0.106 4.251 4.350 0.011 0.000 0.266 404 T C 2.015 176.806 174.700 0.152 0.000 1.040 404 T CA 1.469 63.726 62.100 0.262 0.000 1.141 404 T CB -0.231 68.738 68.868 0.168 0.000 0.868 404 T HN 0.544 nan 8.240 nan 0.000 0.444 405 R N 1.618 122.182 120.500 0.107 0.000 2.120 405 R HA -0.027 4.320 4.340 0.011 0.000 0.234 405 R C 2.166 178.507 176.300 0.069 0.000 1.123 405 R CA 1.545 57.688 56.100 0.072 0.000 0.975 405 R CB -0.225 30.107 30.300 0.052 0.000 0.866 405 R HN 0.409 nan 8.270 nan 0.000 0.446 406 S N -1.029 114.720 115.700 0.082 0.000 2.574 406 S HA 0.358 4.834 4.470 0.011 0.000 0.242 406 S C 1.271 175.912 174.600 0.069 0.000 0.982 406 S CA -0.072 58.164 58.200 0.060 0.000 0.977 406 S CB 1.230 64.455 63.200 0.042 0.000 0.814 406 S HN 0.263 nan 8.310 nan 0.000 0.464 407 A N 1.523 124.415 122.820 0.121 0.000 1.935 407 A HA 0.442 4.769 4.320 0.011 0.000 0.214 407 A C 0.807 178.419 177.584 0.046 0.000 1.178 407 A CA 0.415 52.537 52.037 0.142 0.000 0.640 407 A CB -0.205 18.963 19.000 0.282 0.000 0.825 407 A HN 0.583 nan 8.150 nan 0.000 0.447 408 L N 0.161 121.427 121.223 0.072 0.000 2.334 408 L HA 0.412 4.759 4.340 0.011 0.000 0.270 408 L C 0.554 177.453 176.870 0.049 0.000 1.018 408 L CA -0.815 54.068 54.840 0.071 0.000 0.811 408 L CB 1.736 43.846 42.059 0.086 0.000 1.271 408 L HN 0.263 nan 8.230 nan 0.000 0.443 409 T N -2.685 111.914 114.554 0.074 0.000 2.849 409 T HA 0.255 4.611 4.350 0.011 0.000 0.284 409 T C -1.960 172.783 174.700 0.073 0.000 1.004 409 T CA -1.640 60.495 62.100 0.058 0.000 1.021 409 T CB 1.123 70.029 68.868 0.063 0.000 1.013 409 T HN 0.342 nan 8.240 nan 0.000 0.527 410 P HA -0.103 nan 4.420 nan 0.000 0.217 410 P C 0.957 178.301 177.300 0.073 0.000 1.148 410 P CA 1.080 64.210 63.100 0.050 0.000 0.828 410 P CB -0.046 31.674 31.700 0.033 0.000 0.783 411 D N -2.366 118.102 120.400 0.112 0.000 2.325 411 D HA 0.111 4.757 4.640 0.011 0.000 0.225 411 D C 1.236 177.667 176.300 0.219 0.000 1.096 411 D CA 0.450 54.548 54.000 0.164 0.000 0.844 411 D CB -0.677 40.234 40.800 0.186 0.000 0.925 411 D HN 0.216 nan 8.370 nan 0.000 0.513 412 G N -0.087 108.813 108.800 0.167 0.000 2.141 412 G HA2 -0.246 3.721 3.960 0.011 0.000 0.242 412 G HA3 -0.246 3.721 3.960 0.011 0.000 0.242 412 G C -0.222 174.702 174.900 0.039 0.000 0.982 412 G CA -0.320 44.828 45.100 0.079 0.000 0.662 412 G HN 0.270 nan 8.290 nan 0.000 0.527 413 F N -0.034 119.925 119.950 0.015 0.000 2.379 413 F HA 0.679 5.213 4.527 0.011 0.000 0.332 413 F C 0.605 176.439 175.800 0.056 0.000 1.096 413 F CA -1.420 56.597 58.000 0.029 0.000 1.105 413 F CB 0.818 39.818 39.000 -0.000 0.000 1.189 413 F HN 0.077 nan 8.300 nan 0.000 0.515 414 F N 3.758 123.762 119.950 0.090 0.000 2.427 414 F HA 0.419 4.953 4.527 0.011 0.000 0.352 414 F C 0.168 176.018 175.800 0.084 0.000 1.100 414 F CA -0.855 57.172 58.000 0.046 0.000 1.191 414 F CB 0.456 39.445 39.000 -0.018 0.000 1.128 414 F HN 0.354 nan 8.300 nan 0.000 0.533 415 R N 4.562 124.547 120.500 -0.858 0.000 2.205 415 R HA 0.148 4.495 4.340 0.011 0.000 0.342 415 R C 1.262 177.046 176.300 -0.861 0.000 1.058 415 R CA 0.435 56.164 56.100 -0.617 0.000 0.904 415 R CB 0.580 30.660 30.300 -0.368 0.000 1.089 415 R HN 0.882 nan 8.270 nan 0.000 0.471 416 T N -0.523 113.810 114.554 -0.369 0.000 2.867 416 T HA -0.052 4.305 4.350 0.011 0.000 0.268 416 T C 1.547 176.244 174.700 -0.006 0.000 1.057 416 T CA 1.056 63.138 62.100 -0.029 0.000 1.136 416 T CB -0.018 68.977 68.868 0.211 0.000 0.874 416 T HN 0.782 nan 8.240 nan 0.000 0.466 417 G N 1.124 109.884 108.800 -0.067 0.000 2.157 417 G HA2 -0.162 3.805 3.960 0.011 0.000 0.248 417 G HA3 -0.162 3.805 3.960 0.011 0.000 0.248 417 G C -0.430 174.466 174.900 -0.006 0.000 0.979 417 G CA 0.080 45.158 45.100 -0.036 0.000 0.650 417 G HN 0.627 nan 8.290 nan 0.000 0.529 418 D N 0.616 121.020 120.400 0.006 0.000 2.168 418 D HA 0.565 5.211 4.640 0.011 0.000 0.246 418 D C 0.565 176.810 176.300 -0.092 0.000 1.050 418 D CA -0.311 53.684 54.000 -0.007 0.000 0.857 418 D CB 1.504 42.334 40.800 0.050 0.000 1.169 418 D HN 0.053 nan 8.370 nan 0.000 0.453 419 I N 1.068 121.574 120.570 -0.106 0.000 2.498 419 I HA 0.684 4.861 4.170 0.011 0.000 0.301 419 I C 0.570 176.595 176.117 -0.154 0.000 0.984 419 I CA -0.670 60.540 61.300 -0.151 0.000 1.204 419 I CB 0.981 38.899 38.000 -0.137 0.000 1.362 419 I HN 0.442 nan 8.210 nan 0.000 0.471 420 A N 4.556 127.267 122.820 -0.181 0.000 2.511 420 A HA 0.779 5.106 4.320 0.011 0.000 0.293 420 A C -1.187 176.311 177.584 -0.143 0.000 1.098 420 A CA -0.395 51.549 52.037 -0.155 0.000 0.643 420 A CB 1.327 20.212 19.000 -0.191 0.000 1.302 420 A HN 0.677 nan 8.150 nan 0.000 0.446 421 V N -3.176 116.703 119.914 -0.058 0.000 3.102 421 V HA 1.024 5.150 4.120 0.011 0.000 0.312 421 V C -1.242 174.964 176.094 0.188 0.000 1.135 421 V CA -0.671 61.658 62.300 0.048 0.000 1.022 421 V CB 1.913 33.786 31.823 0.083 0.000 1.056 421 V HN 1.940 nan 8.190 nan 0.000 0.436 422 W N 1.784 123.086 121.300 0.003 0.000 3.167 422 W HA 0.848 5.515 4.660 0.011 0.000 0.324 422 W C -1.432 175.108 176.519 0.035 0.000 1.230 422 W CA -1.515 55.846 57.345 0.026 0.000 1.184 422 W CB 0.132 29.602 29.460 0.016 0.000 1.414 422 W HN 0.890 nan 8.180 nan 0.000 0.551 423 D N -0.243 120.253 120.400 0.159 0.000 2.494 423 D HA 0.294 4.940 4.640 0.011 0.000 0.259 423 D C 0.807 177.047 176.300 -0.100 0.000 1.109 423 D CA -0.497 53.516 54.000 0.021 0.000 1.040 423 D CB 1.106 41.957 40.800 0.084 0.000 1.175 423 D HN 0.238 nan 8.370 nan 0.000 0.584 424 E N -0.437 119.714 120.200 -0.082 0.000 2.265 424 E HA -0.120 4.237 4.350 0.011 0.000 0.196 424 E C 1.093 177.662 176.600 -0.051 0.000 0.996 424 E CA 0.743 57.079 56.400 -0.106 0.000 0.832 424 E CB -0.013 29.649 29.700 -0.063 0.000 0.756 424 E HN 0.507 nan 8.360 nan 0.000 0.491 425 E N -0.466 119.758 120.200 0.039 0.000 2.481 425 E HA 0.012 4.368 4.350 0.011 0.000 0.195 425 E C 1.250 177.824 176.600 -0.043 0.000 1.047 425 E CA 0.653 57.105 56.400 0.087 0.000 0.867 425 E CB 0.498 30.367 29.700 0.282 0.000 0.858 425 E HN 0.391 nan 8.360 nan 0.000 0.513 426 G N 0.737 109.505 108.800 -0.053 0.000 2.213 426 G HA2 -0.279 3.688 3.960 0.011 0.000 0.236 426 G HA3 -0.279 3.688 3.960 0.011 0.000 0.236 426 G C 0.001 174.880 174.900 -0.034 0.000 0.991 426 G CA -0.077 44.971 45.100 -0.086 0.000 0.629 426 G HN 0.233 nan 8.290 nan 0.000 0.517 427 Y N 0.808 121.137 120.300 0.049 0.000 2.620 427 Y HA 0.389 4.945 4.550 0.011 0.000 0.330 427 Y C 1.090 177.074 175.900 0.140 0.000 1.186 427 Y CA 0.144 58.284 58.100 0.066 0.000 1.467 427 Y CB 0.949 39.417 38.460 0.015 0.000 1.262 427 Y HN 0.091 nan 8.280 nan 0.000 0.550 428 V N 3.814 123.889 119.914 0.269 0.000 2.532 428 V HA 0.304 4.431 4.120 0.011 0.000 0.295 428 V C -0.286 175.884 176.094 0.126 0.000 1.041 428 V CA -1.048 61.368 62.300 0.194 0.000 0.926 428 V CB 1.747 33.641 31.823 0.118 0.000 0.992 428 V HN 0.732 nan 8.190 nan 0.000 0.457 429 E N 3.864 124.101 120.200 0.061 0.000 2.402 429 E HA 0.340 4.696 4.350 0.011 0.000 0.244 429 E C -0.960 175.608 176.600 -0.054 0.000 0.945 429 E CA -0.651 55.761 56.400 0.021 0.000 0.774 429 E CB 0.863 30.592 29.700 0.047 0.000 1.296 429 E HN 0.496 nan 8.360 nan 0.000 0.414 430 I N 3.904 124.402 120.570 -0.120 0.000 2.662 430 I HA 0.004 4.180 4.170 0.011 0.000 0.285 430 I C 0.660 176.725 176.117 -0.087 0.000 1.161 430 I CA 0.509 61.698 61.300 -0.185 0.000 1.415 430 I CB 0.279 38.089 38.000 -0.317 0.000 1.385 430 I HN 0.527 nan 8.210 nan 0.000 0.552 431 K N 3.901 124.253 120.400 -0.079 0.000 2.096 431 K HA 0.279 4.605 4.320 0.011 0.000 0.263 431 K C -0.249 176.338 176.600 -0.021 0.000 1.013 431 K CA -0.625 55.641 56.287 -0.034 0.000 1.218 431 K CB -0.068 32.415 32.500 -0.028 0.000 1.961 431 K HN 0.477 nan 8.250 nan 0.000 0.851 432 D N 0.236 120.634 120.400 -0.003 0.000 2.307 432 D HA -0.052 4.594 4.640 0.011 0.000 0.234 432 D C -0.592 175.710 176.300 0.003 0.000 1.308 432 D CA 0.629 54.638 54.000 0.015 0.000 0.886 432 D CB 0.533 41.352 40.800 0.031 0.000 1.202 432 D HN 0.227 nan 8.370 nan 0.000 0.479 433 R N 1.891 122.405 120.500 0.022 0.000 2.295 433 R HA 0.243 4.590 4.340 0.011 0.000 0.324 433 R C 0.990 177.299 176.300 0.014 0.000 0.968 433 R CA -0.760 55.351 56.100 0.019 0.000 0.837 433 R CB 0.632 30.958 30.300 0.043 0.000 1.133 433 R HN 0.511 nan 8.270 nan 0.000 0.450 434 L N 4.701 125.913 121.223 -0.018 0.000 2.324 434 L HA -0.465 3.882 4.340 0.011 0.000 0.237 434 L C 1.240 178.126 176.870 0.027 0.000 1.137 434 L CA 2.409 57.231 54.840 -0.029 0.000 0.855 434 L CB -0.305 41.729 42.059 -0.042 0.000 0.961 434 L HN 0.781 nan 8.230 nan 0.000 0.446 435 K N -1.208 119.215 120.400 0.039 0.000 2.002 435 K HA -0.151 4.175 4.320 0.011 0.000 0.209 435 K C 1.567 178.213 176.600 0.076 0.000 1.048 435 K CA 1.656 57.980 56.287 0.060 0.000 0.930 435 K CB -0.566 31.962 32.500 0.047 0.000 0.714 435 K HN 0.438 nan 8.250 nan 0.000 0.438 436 D N 0.816 121.255 120.400 0.066 0.000 2.411 436 D HA -0.064 4.583 4.640 0.011 0.000 0.226 436 D C 0.227 176.578 176.300 0.085 0.000 0.988 436 D CA 0.420 54.462 54.000 0.070 0.000 0.938 436 D CB -0.160 40.680 40.800 0.067 0.000 0.883 436 D HN -0.029 nan 8.370 nan 0.000 0.525 437 L N 0.472 121.764 121.223 0.113 0.000 2.472 437 L HA 0.260 4.607 4.340 0.011 0.000 0.260 437 L C -0.180 176.807 176.870 0.196 0.000 1.209 437 L CA -0.117 54.827 54.840 0.173 0.000 0.817 437 L CB 0.638 42.832 42.059 0.226 0.000 1.106 437 L HN -0.068 nan 8.230 nan 0.000 0.479 438 I N 3.242 123.938 120.570 0.209 0.000 2.405 438 I HA 0.274 4.451 4.170 0.011 0.000 0.280 438 I C -0.225 175.896 176.117 0.006 0.000 1.027 438 I CA -0.553 60.807 61.300 0.100 0.000 1.161 438 I CB 0.839 38.867 38.000 0.047 0.000 1.300 438 I HN 0.492 nan 8.210 nan 0.000 0.463 439 K N 4.696 124.996 120.400 -0.167 0.000 2.231 439 K HA 0.245 4.571 4.320 0.011 0.000 0.275 439 K C -0.167 176.211 176.600 -0.370 0.000 1.105 439 K CA -0.022 55.903 56.287 -0.602 0.000 0.931 439 K CB 0.657 32.705 32.500 -0.752 0.000 1.296 439 K HN 0.523 nan 8.250 nan 0.000 0.446 440 S N 3.449 118.953 115.700 -0.327 0.000 2.488 440 S HA 0.339 4.816 4.470 0.011 0.000 0.310 440 S C 0.111 174.583 174.600 -0.214 0.000 1.093 440 S CA 0.150 58.219 58.200 -0.219 0.000 1.129 440 S CB 0.379 63.477 63.200 -0.171 0.000 0.989 440 S HN 0.882 nan 8.310 nan 0.000 0.479 441 G N 3.308 111.999 108.800 -0.182 0.000 2.374 441 G HA2 -0.009 3.958 3.960 0.011 0.000 0.289 441 G HA3 -0.009 3.958 3.960 0.011 0.000 0.289 441 G C 1.118 175.918 174.900 -0.167 0.000 1.004 441 G CA 0.222 45.238 45.100 -0.140 0.000 1.292 441 G HN 2.070 nan 8.290 nan 0.000 0.502 442 G N -1.025 107.638 108.800 -0.229 0.000 2.180 442 G HA2 -0.222 3.744 3.960 0.011 0.000 0.263 442 G HA3 -0.222 3.744 3.960 0.011 0.000 0.263 442 G C 0.230 174.980 174.900 -0.250 0.000 0.989 442 G CA 1.324 46.297 45.100 -0.211 0.000 0.692 442 G HN 1.053 nan 8.290 nan 0.000 0.526 443 E N -1.484 118.505 120.200 -0.351 0.000 2.320 443 E HA 0.688 5.045 4.350 0.011 0.000 0.264 443 E C -0.699 175.625 176.600 -0.461 0.000 0.923 443 E CA -0.856 55.391 56.400 -0.255 0.000 0.796 443 E CB 1.112 30.746 29.700 -0.110 0.000 1.262 443 E HN 0.285 nan 8.360 nan 0.000 0.428 444 W N 0.926 122.223 121.300 -0.005 0.000 2.736 444 W HA 0.613 5.280 4.660 0.012 0.000 0.335 444 W C -0.150 176.366 176.519 -0.005 0.000 1.059 444 W CA -0.420 56.922 57.345 -0.005 0.000 1.226 444 W CB 1.163 30.620 29.460 -0.005 0.000 1.416 444 W HN 0.186 nan 8.180 nan 0.000 0.505 445 I N 2.204 122.916 120.570 0.237 0.000 2.569 445 I HA 0.225 4.402 4.170 0.011 0.000 0.290 445 I C -0.275 175.924 176.117 0.137 0.000 1.088 445 I CA -0.966 60.414 61.300 0.135 0.000 1.047 445 I CB 2.187 40.221 38.000 0.057 0.000 1.237 445 I HN 0.223 nan 8.210 nan 0.000 0.421 446 S N 2.719 118.479 115.700 0.100 0.000 2.430 446 S HA 0.167 4.644 4.470 0.011 0.000 0.289 446 S C 1.201 175.840 174.600 0.064 0.000 1.143 446 S CA -0.292 57.955 58.200 0.079 0.000 1.067 446 S CB 0.848 64.083 63.200 0.058 0.000 0.964 446 S HN 0.769 nan 8.310 nan 0.000 0.485 447 S N 4.678 120.415 115.700 0.062 0.000 2.406 447 S HA -0.079 4.398 4.470 0.011 0.000 0.228 447 S C 1.735 176.371 174.600 0.061 0.000 1.020 447 S CA 1.066 59.296 58.200 0.050 0.000 0.965 447 S CB -0.598 62.631 63.200 0.048 0.000 0.798 447 S HN 0.557 nan 8.310 nan 0.000 0.488 448 V N 2.905 122.857 119.914 0.063 0.000 2.343 448 V HA -0.179 3.948 4.120 0.011 0.000 0.247 448 V C 2.430 178.562 176.094 0.062 0.000 1.051 448 V CA 2.276 64.615 62.300 0.064 0.000 1.036 448 V CB -0.923 30.929 31.823 0.048 0.000 0.654 448 V HN 0.420 nan 8.190 nan 0.000 0.451 449 D N 0.086 120.520 120.400 0.056 0.000 2.097 449 D HA -0.121 4.526 4.640 0.011 0.000 0.195 449 D C 2.155 178.498 176.300 0.071 0.000 0.989 449 D CA 1.198 55.234 54.000 0.059 0.000 0.827 449 D CB -0.326 40.506 40.800 0.054 0.000 0.966 449 D HN 0.325 nan 8.370 nan 0.000 0.456 450 L N 0.858 122.121 121.223 0.067 0.000 2.017 450 L HA -0.186 4.160 4.340 0.011 0.000 0.208 450 L C 2.520 179.440 176.870 0.082 0.000 1.073 450 L CA 1.573 56.456 54.840 0.071 0.000 0.745 450 L CB -0.632 41.453 42.059 0.043 0.000 0.894 450 L HN 0.179 nan 8.230 nan 0.000 0.432 451 E N -0.345 119.903 120.200 0.079 0.000 2.106 451 E HA -0.211 4.145 4.350 0.011 0.000 0.192 451 E C 1.722 178.388 176.600 0.110 0.000 0.984 451 E CA 1.244 57.705 56.400 0.101 0.000 0.806 451 E CB -0.349 29.438 29.700 0.145 0.000 0.750 451 E HN 0.448 nan 8.360 nan 0.000 0.458 452 N N 1.419 120.177 118.700 0.097 0.000 2.166 452 N HA -0.109 4.637 4.740 0.011 0.000 0.186 452 N C 1.879 177.454 175.510 0.108 0.000 1.019 452 N CA 1.566 54.669 53.050 0.089 0.000 0.856 452 N CB -0.336 38.193 38.487 0.071 0.000 0.993 452 N HN 0.365 nan 8.380 nan 0.000 0.426 453 A N 1.382 124.277 122.820 0.125 0.000 1.898 453 A HA -0.013 4.314 4.320 0.011 0.000 0.216 453 A C 2.415 180.114 177.584 0.192 0.000 1.181 453 A CA 0.768 52.917 52.037 0.186 0.000 0.620 453 A CB -0.710 18.404 19.000 0.189 0.000 0.819 453 A HN 0.176 nan 8.150 nan 0.000 0.442 454 L N -0.984 120.305 121.223 0.110 0.000 2.042 454 L HA -0.194 4.153 4.340 0.011 0.000 0.210 454 L C 2.625 179.488 176.870 -0.011 0.000 1.076 454 L CA 1.480 56.325 54.840 0.008 0.000 0.749 454 L CB -0.508 41.587 42.059 0.060 0.000 0.893 454 L HN 0.403 nan 8.230 nan 0.000 0.432 455 M N -0.482 119.157 119.600 0.064 0.000 2.706 455 M HA -0.081 4.405 4.480 0.011 0.000 0.251 455 M C 1.919 178.268 176.300 0.080 0.000 1.070 455 M CA 1.042 56.390 55.300 0.079 0.000 1.073 455 M CB -0.555 32.105 32.600 0.101 0.000 1.449 455 M HN 0.332 nan 8.290 nan 0.000 0.531 456 G N -1.347 107.506 108.800 0.088 0.000 2.539 456 G HA2 -0.104 3.863 3.960 0.011 0.000 0.215 456 G HA3 -0.104 3.863 3.960 0.011 0.000 0.215 456 G C 0.544 175.527 174.900 0.138 0.000 1.141 456 G CA -0.114 45.072 45.100 0.144 0.000 0.806 456 G HN 0.393 nan 8.290 nan 0.000 0.533 457 H N 2.160 121.123 119.070 -0.178 0.000 2.928 457 H HA 0.065 4.628 4.556 0.011 0.000 0.338 457 H C -0.966 174.343 175.328 -0.032 0.000 1.047 457 H CA -1.202 54.725 56.048 -0.201 0.000 1.435 457 H CB 1.944 31.402 29.762 -0.506 0.000 1.428 457 H HN 0.042 nan 8.280 nan 0.000 0.590 458 P HA -0.140 nan 4.420 nan 0.000 0.216 458 P C 0.667 178.083 177.300 0.194 0.000 1.150 458 P CA 1.436 64.585 63.100 0.082 0.000 0.837 458 P CB 0.326 32.016 31.700 -0.018 0.000 0.786 459 K N -0.455 120.194 120.400 0.414 0.000 2.525 459 K HA 0.114 4.440 4.320 0.011 0.000 0.192 459 K C 0.339 177.009 176.600 0.117 0.000 1.029 459 K CA 0.184 56.598 56.287 0.212 0.000 1.029 459 K CB 0.105 32.699 32.500 0.157 0.000 0.814 459 K HN 0.070 nan 8.250 nan 0.000 0.503 460 V N 1.718 121.710 119.914 0.131 0.000 2.370 460 V HA 0.114 4.241 4.120 0.011 0.000 0.283 460 V C 0.953 177.104 176.094 0.094 0.000 1.023 460 V CA -0.451 61.900 62.300 0.083 0.000 0.857 460 V CB 1.531 33.378 31.823 0.040 0.000 0.985 460 V HN 0.087 nan 8.190 nan 0.000 0.443 461 K N 3.268 123.724 120.400 0.094 0.000 2.128 461 K HA 0.217 4.543 4.320 0.011 0.000 0.202 461 K C 0.242 176.911 176.600 0.114 0.000 1.050 461 K CA 0.825 57.168 56.287 0.094 0.000 0.966 461 K CB 0.477 33.028 32.500 0.086 0.000 0.759 461 K HN 0.785 nan 8.250 nan 0.000 0.454 462 E N -0.664 119.613 120.200 0.127 0.000 2.321 462 E HA 0.454 4.811 4.350 0.011 0.000 0.278 462 E C -1.913 174.770 176.600 0.138 0.000 0.902 462 E CA -0.764 55.750 56.400 0.190 0.000 0.758 462 E CB 2.231 32.075 29.700 0.240 0.000 1.213 462 E HN 0.222 nan 8.360 nan 0.000 0.426 463 A N 1.480 124.415 122.820 0.191 0.000 2.398 463 A HA 0.819 5.145 4.320 0.011 0.000 0.301 463 A C -1.330 176.302 177.584 0.080 0.000 1.041 463 A CA -0.530 51.544 52.037 0.062 0.000 0.711 463 A CB 1.680 20.720 19.000 0.066 0.000 1.240 463 A HN 0.541 nan 8.150 nan 0.000 0.420 464 A N 2.165 124.855 122.820 -0.216 0.000 2.340 464 A HA 0.631 4.958 4.320 0.011 0.000 0.297 464 A C -0.781 176.687 177.584 -0.194 0.000 1.195 464 A CA -0.379 51.489 52.037 -0.282 0.000 0.769 464 A CB 0.755 19.214 19.000 -0.903 0.000 1.163 464 A HN 1.114 nan 8.150 nan 0.000 0.472 465 V N 3.554 123.427 119.914 -0.068 0.000 2.439 465 V HA 0.584 4.711 4.120 0.011 0.000 0.282 465 V C 0.330 176.384 176.094 -0.068 0.000 1.039 465 V CA -0.183 62.058 62.300 -0.099 0.000 0.913 465 V CB 1.097 32.888 31.823 -0.053 0.000 0.983 465 V HN 1.019 nan 8.190 nan 0.000 0.460 466 V N 1.946 121.799 119.914 -0.102 0.000 3.102 466 V HA 1.001 5.127 4.120 0.011 0.000 0.312 466 V C -0.065 176.013 176.094 -0.026 0.000 1.135 466 V CA -1.136 61.130 62.300 -0.056 0.000 1.022 466 V CB 1.908 33.681 31.823 -0.083 0.000 1.056 466 V HN 0.997 nan 8.190 nan 0.000 0.436 467 A N 3.152 125.979 122.820 0.013 0.000 2.328 467 A HA 0.806 5.132 4.320 0.011 0.000 0.284 467 A C -0.450 177.171 177.584 0.062 0.000 1.160 467 A CA -0.457 51.606 52.037 0.043 0.000 0.818 467 A CB 0.072 19.103 19.000 0.051 0.000 1.087 467 A HN 0.736 nan 8.150 nan 0.000 0.504 468 I N 3.106 123.752 120.570 0.126 0.000 2.509 468 I HA 0.343 4.520 4.170 0.011 0.000 0.293 468 I C -2.361 173.894 176.117 0.231 0.000 1.020 468 I CA -2.414 58.980 61.300 0.157 0.000 1.088 468 I CB 1.457 39.529 38.000 0.120 0.000 1.267 468 I HN 0.386 nan 8.210 nan 0.000 0.430 469 P HA 0.049 nan 4.420 nan 0.000 0.264 469 P C -0.461 177.002 177.300 0.273 0.000 1.179 469 P CA 0.950 64.150 63.100 0.167 0.000 0.763 469 P CB 0.381 32.145 31.700 0.106 0.000 0.806 477 P HA 0.224 nan 4.420 nan 0.000 0.275 477 P C -0.653 176.666 177.300 0.032 0.000 1.228 477 P CA -0.599 62.496 63.100 -0.008 0.000 0.786 477 P CB 1.212 32.875 31.700 -0.062 0.000 0.927 478 L N 2.444 123.647 121.223 -0.034 0.000 2.410 478 L HA 0.719 5.065 4.340 0.011 0.000 0.270 478 L C -1.156 175.517 176.870 -0.328 0.000 0.983 478 L CA -0.973 53.782 54.840 -0.142 0.000 0.822 478 L CB 1.703 43.633 42.059 -0.215 0.000 1.285 478 L HN 0.463 nan 8.230 nan 0.000 0.409 479 A N 4.881 127.421 122.820 -0.467 0.000 2.271 479 A HA 0.715 5.042 4.320 0.011 0.000 0.317 479 A C -1.046 176.261 177.584 -0.463 0.000 1.245 479 A CA -0.529 51.237 52.037 -0.451 0.000 0.857 479 A CB 1.081 19.766 19.000 -0.525 0.000 1.175 479 A HN 0.536 nan 8.150 nan 0.000 0.512 480 V N 4.579 124.235 119.914 -0.430 0.000 2.318 480 V HA 0.252 4.378 4.120 0.011 0.000 0.271 480 V C 0.128 176.044 176.094 -0.297 0.000 1.030 480 V CA -0.281 61.762 62.300 -0.427 0.000 0.844 480 V CB 0.758 32.314 31.823 -0.444 0.000 1.015 480 V HN 0.642 nan 8.190 nan 0.000 0.460 481 V N 6.007 125.746 119.914 -0.292 0.000 2.743 481 V HA 0.605 4.732 4.120 0.011 0.000 0.301 481 V C 0.233 176.374 176.094 0.078 0.000 1.057 481 V CA -0.267 61.970 62.300 -0.105 0.000 1.006 481 V CB 1.912 33.667 31.823 -0.113 0.000 1.024 481 V HN 0.568 nan 8.190 nan 0.000 0.473 487 K N 3.093 123.386 120.400 -0.178 0.000 2.298 487 K HA 0.495 4.821 4.320 0.011 0.000 0.280 487 K C -1.951 174.523 176.600 -0.210 0.000 1.032 487 K CA -1.272 54.843 56.287 -0.287 0.000 0.958 487 K CB 0.636 32.689 32.500 -0.745 0.000 0.978 487 K HN 0.309 nan 8.250 nan 0.000 0.472 488 P HA -0.000 nan 4.420 nan 0.000 0.274 488 P C -0.497 176.789 177.300 -0.023 0.000 1.256 488 P CA -0.392 62.662 63.100 -0.076 0.000 0.795 488 P CB 0.701 32.285 31.700 -0.193 0.000 1.038 489 T N -3.616 110.907 114.554 -0.051 0.000 2.928 489 T HA 0.306 4.662 4.350 0.011 0.000 0.284 489 T C -1.522 173.097 174.700 -0.136 0.000 1.008 489 T CA -1.933 60.148 62.100 -0.031 0.000 1.057 489 T CB 0.837 69.689 68.868 -0.027 0.000 1.018 489 T HN 0.258 nan 8.240 nan 0.000 0.493 490 P HA -0.118 nan 4.420 nan 0.000 0.219 490 P C 0.786 177.883 177.300 -0.338 0.000 1.146 490 P CA 1.152 63.983 63.100 -0.449 0.000 0.808 490 P CB 0.255 31.869 31.700 -0.143 0.000 0.779 491 E N 0.450 120.566 120.200 -0.140 0.000 2.072 491 E HA -0.127 4.230 4.350 0.011 0.000 0.190 491 E C 2.143 178.710 176.600 -0.056 0.000 0.982 491 E CA 0.991 57.351 56.400 -0.067 0.000 0.803 491 E CB -0.676 29.012 29.700 -0.019 0.000 0.755 491 E HN 0.412 nan 8.360 nan 0.000 0.453 492 E N 0.518 120.679 120.200 -0.064 0.000 2.038 492 E HA -0.190 4.166 4.350 0.011 0.000 0.195 492 E C 2.078 178.681 176.600 0.004 0.000 1.000 492 E CA 1.099 57.500 56.400 0.003 0.000 0.803 492 E CB -0.240 29.456 29.700 -0.006 0.000 0.750 492 E HN 0.226 nan 8.360 nan 0.000 0.448 493 L N 1.226 122.339 121.223 -0.184 0.000 2.131 493 L HA -0.169 4.178 4.340 0.011 0.000 0.210 493 L C 2.125 178.998 176.870 0.006 0.000 1.092 493 L CA 0.563 55.301 54.840 -0.170 0.000 0.759 493 L CB -0.484 41.311 42.059 -0.440 0.000 0.903 493 L HN 0.148 nan 8.230 nan 0.000 0.435 494 N N 0.237 118.913 118.700 -0.039 0.000 2.188 494 N HA -0.160 4.587 4.740 0.011 0.000 0.184 494 N C 1.723 177.290 175.510 0.095 0.000 1.018 494 N CA 1.202 54.295 53.050 0.071 0.000 0.858 494 N CB -0.012 38.504 38.487 0.049 0.000 0.989 494 N HN 0.468 nan 8.380 nan 0.000 0.426 495 E N -0.348 119.904 120.200 0.087 0.000 2.152 495 E HA -0.138 4.219 4.350 0.011 0.000 0.192 495 E C 1.720 178.391 176.600 0.118 0.000 0.983 495 E CA 0.407 56.859 56.400 0.086 0.000 0.818 495 E CB -0.101 29.642 29.700 0.071 0.000 0.758 495 E HN 0.425 nan 8.360 nan 0.000 0.467 496 H N 0.919 120.042 119.070 0.088 0.000 2.457 496 H HA -0.032 4.530 4.556 0.010 0.000 0.294 496 H C 1.827 177.210 175.328 0.093 0.000 1.064 496 H CA 0.974 57.093 56.048 0.117 0.000 1.330 496 H CB 0.194 30.098 29.762 0.236 0.000 1.395 496 H HN 0.166 nan 8.280 nan 0.000 0.541 497 L N -0.182 121.189 121.223 0.247 0.000 2.249 497 L HA -0.042 4.304 4.340 0.011 0.000 0.207 497 L C 2.669 179.594 176.870 0.091 0.000 1.090 497 L CA 0.195 55.146 54.840 0.185 0.000 0.802 497 L CB -0.121 42.048 42.059 0.183 0.000 0.947 497 L HN 0.166 nan 8.230 nan 0.000 0.453 498 L N -0.083 121.184 121.223 0.073 0.000 2.093 498 L HA -0.169 4.177 4.340 0.011 0.000 0.208 498 L C 1.999 178.878 176.870 0.015 0.000 1.085 498 L CA 1.251 56.116 54.840 0.042 0.000 0.755 498 L CB -0.349 41.734 42.059 0.040 0.000 0.904 498 L HN 0.182 nan 8.230 nan 0.000 0.435 499 K N -0.071 120.325 120.400 -0.008 0.000 2.551 499 K HA 0.092 4.419 4.320 0.011 0.000 0.192 499 K C 1.390 177.954 176.600 -0.058 0.000 1.027 499 K CA 0.497 56.758 56.287 -0.044 0.000 1.059 499 K CB 0.195 32.644 32.500 -0.084 0.000 0.831 499 K HN 0.252 nan 8.250 nan 0.000 0.508 500 A N 0.608 123.412 122.820 -0.026 0.000 2.287 500 A HA 0.409 4.736 4.320 0.011 0.000 0.214 500 A C 0.691 178.284 177.584 0.014 0.000 1.228 500 A CA 0.485 52.517 52.037 -0.010 0.000 0.939 500 A CB 0.777 19.791 19.000 0.023 0.000 0.992 500 A HN 0.309 nan 8.150 nan 0.000 0.502 510 A N 0.444 123.324 122.820 0.100 0.000 2.592 510 A HA 0.515 4.842 4.320 0.011 0.000 0.300 510 A C -2.251 175.293 177.584 -0.067 0.000 0.994 510 A CA -0.865 51.300 52.037 0.212 0.000 0.707 510 A CB 0.417 19.718 19.000 0.501 0.000 1.273 510 A HN 0.401 nan 8.150 nan 0.000 0.413 511 Y N 0.968 121.240 120.300 -0.045 0.000 2.345 511 Y HA 0.528 5.085 4.550 0.011 0.000 0.331 511 Y C 0.424 176.048 175.900 -0.459 0.000 0.959 511 Y CA -0.641 57.287 58.100 -0.286 0.000 1.204 511 Y CB 1.783 40.050 38.460 -0.322 0.000 1.135 511 Y HN 0.568 nan 8.280 nan 0.000 0.477 512 V N 3.824 123.478 119.914 -0.433 0.000 3.134 512 V HA 0.439 4.566 4.120 0.011 0.000 0.313 512 V C -0.481 175.237 176.094 -0.626 0.000 1.069 512 V CA -0.793 61.275 62.300 -0.388 0.000 1.048 512 V CB 1.348 32.934 31.823 -0.395 0.000 1.119 512 V HN 0.457 nan 8.190 nan 0.000 0.461 513 F N 0.112 120.059 119.950 -0.006 0.000 2.603 513 F HA 0.877 5.408 4.527 0.006 0.000 0.317 513 F C 0.265 176.063 175.800 -0.003 0.000 1.066 513 F CA -0.326 57.671 58.000 -0.006 0.000 0.941 513 F CB 2.094 41.101 39.000 0.011 0.000 1.291 513 F HN 0.680 nan 8.300 nan 0.000 0.472 514 A N 0.790 123.730 122.820 0.199 0.000 2.586 514 A HA 0.587 4.914 4.320 0.011 0.000 0.290 514 A C -0.422 177.215 177.584 0.089 0.000 1.086 514 A CA -0.687 51.414 52.037 0.107 0.000 0.665 514 A CB 1.171 20.199 19.000 0.047 0.000 1.279 514 A HN 0.781 nan 8.150 nan 0.000 0.423 515 E N 0.110 120.345 120.200 0.060 0.000 2.472 515 E HA 0.142 4.499 4.350 0.011 0.000 0.196 515 E C -0.284 176.343 176.600 0.046 0.000 1.033 515 E CA 0.872 57.303 56.400 0.050 0.000 0.886 515 E CB 0.300 30.023 29.700 0.039 0.000 0.944 515 E HN 0.665 nan 8.360 nan 0.000 0.492 516 E N 0.371 120.593 120.200 0.037 0.000 2.401 516 E HA 0.331 4.688 4.350 0.011 0.000 0.283 516 E C -1.249 175.355 176.600 0.006 0.000 1.053 516 E CA -0.577 55.844 56.400 0.035 0.000 0.842 516 E CB 0.838 30.563 29.700 0.041 0.000 1.222 516 E HN -0.093 nan 8.360 nan 0.000 0.429 517 I N 1.633 122.202 120.570 -0.002 0.000 2.378 517 I HA 0.327 4.504 4.170 0.011 0.000 0.291 517 I C -2.239 173.884 176.117 0.010 0.000 0.992 517 I CA -2.491 58.763 61.300 -0.076 0.000 1.154 517 I CB 1.521 39.337 38.000 -0.306 0.000 1.315 517 I HN 0.342 nan 8.210 nan 0.000 0.448 518 P HA 0.015 nan 4.420 nan 0.000 0.256 518 P C -0.280 177.080 177.300 0.100 0.000 1.173 518 P CA 0.260 63.386 63.100 0.045 0.000 0.768 518 P CB 0.380 32.095 31.700 0.025 0.000 0.758 519 R N 1.961 122.529 120.500 0.112 0.000 2.544 519 R HA 0.655 5.002 4.340 0.011 0.000 0.205 519 R C 0.494 176.851 176.300 0.096 0.000 1.324 519 R CA -0.197 55.985 56.100 0.137 0.000 1.008 519 R CB -0.017 30.357 30.300 0.122 0.000 2.138 519 R HN 0.275 nan 8.270 nan 0.000 0.514 526 L N 5.937 127.277 121.223 0.196 0.000 2.416 526 L HA 0.163 4.510 4.340 0.011 0.000 0.243 526 L C 1.161 178.068 176.870 0.063 0.000 1.373 526 L CA 0.205 55.107 54.840 0.104 0.000 1.227 526 L CB -0.149 41.954 42.059 0.074 0.000 1.428 526 L HN 0.581 nan 8.230 nan 0.000 0.425 527 K N 0.351 120.796 120.400 0.076 0.000 2.360 527 K HA -0.209 4.117 4.320 0.011 0.000 0.201 527 K C 1.888 178.504 176.600 0.026 0.000 1.046 527 K CA 0.681 56.987 56.287 0.031 0.000 0.940 527 K CB -0.034 32.498 32.500 0.053 0.000 0.748 527 K HN 0.533 nan 8.250 nan 0.000 0.465 528 R N 1.218 121.740 120.500 0.037 0.000 2.080 528 R HA -0.186 4.161 4.340 0.011 0.000 0.236 528 R C 2.193 178.507 176.300 0.023 0.000 1.137 528 R CA 1.682 57.800 56.100 0.029 0.000 0.943 528 R CB -0.255 30.062 30.300 0.029 0.000 0.846 528 R HN 0.195 nan 8.270 nan 0.000 0.431 529 A N 1.154 123.987 122.820 0.022 0.000 1.898 529 A HA -0.103 4.223 4.320 0.011 0.000 0.216 529 A C 2.288 179.892 177.584 0.033 0.000 1.181 529 A CA 1.194 53.242 52.037 0.019 0.000 0.620 529 A CB -0.541 18.468 19.000 0.015 0.000 0.819 529 A HN 0.359 nan 8.150 nan 0.000 0.442 530 L N -0.899 120.345 121.223 0.034 0.000 2.042 530 L HA -0.220 4.127 4.340 0.011 0.000 0.210 530 L C 2.833 179.762 176.870 0.098 0.000 1.076 530 L CA 1.519 56.402 54.840 0.072 0.000 0.749 530 L CB -0.525 41.502 42.059 -0.053 0.000 0.893 530 L HN 0.366 nan 8.230 nan 0.000 0.432 531 R N -0.258 120.266 120.500 0.040 0.000 2.127 531 R HA -0.207 4.139 4.340 0.011 0.000 0.238 531 R C 2.140 178.470 176.300 0.049 0.000 1.134 531 R CA 1.503 57.626 56.100 0.039 0.000 0.975 531 R CB -0.213 30.104 30.300 0.029 0.000 0.865 531 R HN 0.472 nan 8.270 nan 0.000 0.447 532 E N 0.678 120.899 120.200 0.036 0.000 2.122 532 E HA -0.124 4.233 4.350 0.011 0.000 0.190 532 E C 1.877 178.468 176.600 -0.016 0.000 0.977 532 E CA 0.413 56.820 56.400 0.012 0.000 0.820 532 E CB 0.279 29.979 29.700 0.001 0.000 0.770 532 E HN 0.317 nan 8.360 nan 0.000 0.462 533 Q N -0.411 119.374 119.800 -0.025 0.000 2.002 533 Q HA -0.178 4.168 4.340 0.011 0.000 0.204 533 Q C 0.734 176.547 176.000 -0.312 0.000 0.988 533 Q CA 1.543 57.232 55.803 -0.189 0.000 0.843 533 Q CB -0.110 28.478 28.738 -0.251 0.000 0.908 533 Q HN 0.397 nan 8.270 nan 0.000 0.420 534 Y N 0.577 120.799 120.300 -0.129 0.000 2.676 534 Y HA 0.138 4.693 4.550 0.009 0.000 0.331 534 Y C 1.504 177.353 175.900 -0.085 0.000 1.128 534 Y CA -0.171 57.836 58.100 -0.155 0.000 1.360 534 Y CB -0.292 37.966 38.460 -0.337 0.000 1.176 534 Y HN 0.047 nan 8.280 nan 0.000 0.518 535 K N 1.290 121.714 120.400 0.040 0.000 2.059 535 K HA -0.284 4.043 4.320 0.011 0.000 0.212 535 K C 0.872 177.501 176.600 0.049 0.000 1.050 535 K CA 2.088 58.398 56.287 0.038 0.000 0.927 535 K CB -0.026 32.482 32.500 0.013 0.000 0.714 535 K HN 0.323 nan 8.250 nan 0.000 0.447 536 N N -0.353 118.374 118.700 0.046 0.000 2.467 536 N HA 0.016 4.763 4.740 0.011 0.000 0.278 536 N C 0.114 175.665 175.510 0.068 0.000 1.306 536 N CA -0.267 52.814 53.050 0.052 0.000 0.905 536 N CB 0.070 38.572 38.487 0.026 0.000 1.236 536 N HN 0.167 nan 8.380 nan 0.000 0.509 537 Y N -0.047 120.187 120.300 -0.111 0.000 2.352 537 Y HA -0.091 4.466 4.550 0.011 0.000 0.292 537 Y C 0.310 176.132 175.900 -0.130 0.000 1.136 537 Y CA 1.652 59.646 58.100 -0.178 0.000 1.227 537 Y CB 0.161 38.438 38.460 -0.305 0.000 0.991 537 Y HN 0.257 nan 8.280 nan 0.000 0.545 538 Y N -0.900 119.459 120.300 0.099 0.000 2.430 538 Y HA 0.456 5.011 4.550 0.008 0.000 0.248 538 Y C 1.348 177.261 175.900 0.022 0.000 1.108 538 Y CA -0.159 57.968 58.100 0.045 0.000 1.264 538 Y CB 0.112 38.663 38.460 0.150 0.000 1.172 538 Y HN 0.031 nan 8.280 nan 0.000 0.520 539 G N 0.000 108.885 108.800 0.142 0.000 5.446 539 G HA2 0.000 3.967 3.960 0.011 0.000 0.244 539 G HA3 0.000 3.967 3.960 0.011 0.000 0.244 539 G CA 0.000 45.134 45.100 0.057 0.000 0.502 539 G HN 0.000 nan 8.290 nan 0.000 0.925